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All-Atom
Contacts		 Clashscore, all atoms:3.89 99th percentile* (N=456, 2.20Å ± 0.25Å)
Clashscore is the number of serious steric overlaps (> 0.4 Å) per 1000 atoms.
Protein
Geometry		 Poor rotamers192.09% Goal: <0.3%
Favored rotamers84693.17% Goal: >98%
Ramachandran outliers20.18% Goal: <0.05%
Ramachandran favored104396.40% Goal: >98%
MolProbity score^1.6697th percentile* (N=10167, 2.20Å ± 0.25Å)
Cβ deviations >0.25Å00.00% Goal: 0
Bad bonds:11 / 88520.12% Goal: 0%
Bad angles:16 / 120340.13% Goal: <0.1%
Peptide Omegas Cis Prolines: 0 / 50 0.00% Expected: ≤1 per chain, or ≤5%
Cis nonProlines: 1 / 1041 0.10% Goal: <0.05%
In the two column results, the left column gives the raw count, right column gives the percentage.
* 100th percentile is the best among structures of comparable resolution; 0th percentile is the worst. For clashscore the comparative set of structures was selected in 2004, for MolProbity score in 2006.
^ MolProbity score combines the clashscore, rotamer, and Ramachandran evaluations into a single score, normalized to be on the same scale as X-ray resolution.

#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 62.10Clashscore: 3.89Outliers: 2 of 1088Poor rotamers: 19 of 908Outliers: 0 of 1006Outliers: 3 of 1103Outliers: 2 of 1103Non-Trans: 1 of 1091
A 11 GLN110.85-Allowed (0.24%)
General / -77.9,24.1		Favored (15.8%) pt0
chi angles: 59.4,172.9,10.7		0.03Å---
A 24 VAL54.570.41Å
HG21 with A 191 VAL HG11		Favored (16.25%)
Ile or Val / -100.8,104.5		Favored (2.7%) t
chi angles: 193.1		0.04Å---
A 25 GLY46.680.56Å
HA2 with A1001 FAD H1B		Favored (5.91%)
Glycine / 127.3,144.1		-----
A 50 LEU49.20.53Å
HD21 with A 228 THR HG21		Favored (29.74%)
General / -115.5,154.2		Favored (86.6%) mt
chi angles: 299,174.3		0.04Å---
A 58 VAL53.360.41Å
HB with A 158 LEU HD23		Favored (32.19%)
Ile or Val / -57.5,-28.9		Allowed (0.7%) p
chi angles: 82.2		0.07Å---
A 60 ALA41.90.73Å
HB3 with A 154 GLY HA3		Favored (38.35%)
General / -78.4,141.5		-0.03Å---
A 61 GLN51.63-Allowed (1.79%)
General / -117.3,-60.8		Favored (72.9%) mt0
chi angles: 298.3,173.6,12		0.03Å---
A 63 GLY50.750.43Å
HA2 with A 153 THR HG21		Favored (28.97%)
Glycine / 148.2,-167.1		-----
A 72 GLU76.75-Favored (2.91%)
General / -175.8,169.7		OUTLIER (0%)
chi angles: 72.3,249.1,321.8		0.02Å---
A 75 ASN57.93-Allowed (1.53%)
General / -164.4,120.3		Favored (45.5%) t0
chi angles: 187.9,315.5		0.04Å---
A 88 ASP63.950.48Å
OD2 with A1023 UNL O 		Favored (16.82%)
General / 61.2,38.3		Favored (11.2%) t0
chi angles: 210,358.8		0.05Å---
A 99 MET50.520.40Å
HA with A 419 VAL HG11		Favored (69.19%)
General / -72.0,-39.6		Favored (15.2%) ttp
chi angles: 185,193.2,53.8		0.03Å---
A 101 GLU62.460.43Å
OE2 with A1025 UNL O 		Favored (71.52%)
General / -71.3,-39.6		Favored (78.1%) tt0
chi angles: 184.8,179.5,16.1		0.02Å---
A 112 ASN58.240.41Å
O with B 129 LEU HD23		Favored (65.34%)
General / -67.6,-22.2		Allowed (0.4%) m110
chi angles: 286.3,206		0.02Å---
A 117 PHE47.180.53Å
HA with A 149 VAL HG22		Favored (23.08%)
General / -55.6,145.6		Favored (33.8%) m-80
chi angles: 279.4,282.8		0.02Å---
A 130 PHE54.31-Favored (28.46%)
General / -156.0,168.1		OUTLIER (0.3%)
chi angles: 229.9,68.7		0.03Å---
A 144 HIS55.74-Allowed (1.7%)
General / -129.8,76.2		Favored (47.5%) m90
chi angles: 303.8,96.1		0.03Å---
A 149 VAL53.220.53Å
HG22 with A 117 PHE HA 		Allowed (0.9%)
Ile or Val / -103.4,85.2		Favored (71.7%) t
chi angles: 178.6		0.03Å---
A 153 THR440.43Å
HG21 with A 63 GLY HA2 		Favored (89.94%)
General / -61.9,-38.8		Favored (32.9%) m
chi angles: 306.4		0.04Å---
A 154 GLY52.230.73Å
HA3 with A 60 ALA HB3 		Favored (39.3%)
Glycine / -72.8,-44.3		-----
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 62.10Clashscore: 3.89Outliers: 2 of 1088Poor rotamers: 19 of 908Outliers: 0 of 1006Outliers: 3 of 1103Outliers: 2 of 1103Non-Trans: 1 of 1091
A 158 LEU45.550.41Å
HD23 with A 58 VAL HB 		Favored (81.44%)
General / -68.5,-38.9		Favored (13.6%) tp
chi angles: 192.9,56.5		0.04Å---
A 169 ASP92.71-Allowed (0.95%)
General / -89.0,30.4		Favored (43.5%) p0
chi angles: 57.8,5.2		0.06Å---
A 180 ASP57.360.41Å
C with A 236 MET HE3		Favored (41.63%)
General / -148.5,161.4		Favored (12.5%) m-30
chi angles: 282.4,298.7		0.02Å---
A 191 VAL63.130.41Å
HG11 with A 24 VAL HG21 		Favored (36.35%)
Ile or Val / -134.8,154.3		Favored (3.3%) m
chi angles: 309.7		0.05Å---
A 207 LYS87.36-Favored (63.97%)
General / -73.7,-32.4		OUTLIER (0%)
chi angles: 242.8,239.1,59.8,178.4		0.02Å---
A 212 ALA50.15-Allowed (1.77%)
General / -131.3,57.1		-0.04Å---
A 216 TYR53.16-Allowed (1.36%)
General / -144.8,43.9		Favored (37.6%) p90
chi angles: 55.2,273.2		0.04Å---
A 219 THR63.720.42Å
HA with A 472 MET HE3		Favored (62.74%)
General / -65.6,-15.4		Favored (72.9%) p
chi angles: 61.6		0.02Å---
A 220 TYR59.310.52Å
CG with A 363 VAL HG21		Favored (7.93%)
General / -103.9,170.4		Favored (36.9%) m-80
chi angles: 279.2,83.3		0.01Å---
A 223 CYS54.740.41Å
O with B 66 ARG NH2		Favored (44.34%)
General / -144.2,156.5		Favored (5.3%) p
chi angles: 50		0.03Å---
A 226 ALA52.630.41Å
HB2 with B1008 UNL N1 		Favored (2.26%)
General / -52.7,155.5		-0.04Å---
A 228 THR61.640.53Å
HG21 with A 50 LEU HD21 		Favored (50.68%)
General / -88.2,3.1		Favored (24.7%) p
chi angles: 51.8		0.04Å---
A 236 MET56.910.41Å
HE3 with A 180 ASP C 		Favored (84.1%)
General / -59.9,-39.0		Favored (77.5%) mtp
chi angles: 289.7,163.4,74		0.02Å---
A 237 VAL55.110.51Å
HG13 with A 242 LEU HB2		Favored (81.61%)
Ile or Val / -62.4,-50.0		Favored (12.9%) t
chi angles: 162.8		0.07Å---
A 239 ARG57.210.47Å
HG2 with A 589 VAL HG11		Favored (63.27%)
General / -70.3,-25.2		Favored (92%) mtm-85
chi angles: 281.2,189.9,291,270.8		0.02Å---
A 242 LEU59.150.51Å
HB2 with A 237 VAL HG13 		Favored (34.51%)
Pre-Pro / -99.5,157.2		Allowed (1.2%) mt
chi angles: 286.9,140.7		0.02Å---
A 255 THR54.64-Allowed (1.66%)
General / -127.2,76.5		Favored (78.2%) p
chi angles: 60.2		0.06Å---
A 263 LEU59.080.44Å
HD22 with A1001 FAD C6 		Favored (39.56%)
General / -72.1,129.9		Favored (4.3%) tp
chi angles: 176.8,83.9		0.02Å---
A 268 CYS66.610.42Å
HB3 with A 325 LEU HD21		Favored (91.71%)
General / -59.0,-43.5		Favored (71.8%) m
chi angles: 297.9		0.01Å---
A 271 GLU59.460.45Å
HB3 with A 332 GLN NE2		Favored (54.75%)
General / -89.0,-8.0		Favored (68.1%) mm-30
chi angles: 301.8,284.1,347.2		0.03Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 62.10Clashscore: 3.89Outliers: 2 of 1088Poor rotamers: 19 of 908Outliers: 0 of 1006Outliers: 3 of 1103Outliers: 2 of 1103Non-Trans: 1 of 1091
A 277 ASN79.1-Allowed (1.75%)
General / -99.2,-169.3		Favored (38%) p0
chi angles: 57.8,17.1		0.06Å---
A 279 GLN94.26-Favored (52.5%)
General / -96.5,2.5		OUTLIER (0%)
chi angles: 335.6,274,247.1		0.02Å---
A 282 ARG76.82-Allowed (1.91%)
General / -74.4,81.6		Favored (64.5%) ttt180
chi angles: 179.4,189.7,186.3,181.4		0.03Å---
A 290 VAL72.54-Allowed (1.15%)
Ile or Val / -82.1,-63.6		Favored (81.9%) t
chi angles: 176.7		0.07Å---
A 292 LYS80.5-Allowed (1.28%)
General / 53.4,-118.1		Favored (10.5%) mttt
chi angles: 309.2,180.9,175.6,218.9		0.02Å---
A 297 ARG61.351.11Å
HH22 with A1002 OAA C2 		Favored (98.45%)
General / -62.6,-43.6		Favored (97.1%) mtt180
chi angles: 284.8,174.5,173.2,173.4		0.01Å---
A 302 ARG72.960.44Å
O with A 306 ILE HG13		Favored (95.13%)
General / -62.7,-39.8		Favored (90.1%) mtm-85
chi angles: 278,188.5,292.4,274.3		0.01Å---
A 304 MET74.040.59Å
HE2 with A 361 PRO HD3		Favored (32.28%)
General / -49.2,-40.2		Favored (84.4%) mtp
chi angles: 299.1,172.2,63.5		0.01Å---
A 306 ILE85.310.44Å
HG13 with A 302 ARG O 		Favored (70.28%)
Ile or Val / -71.6,-40.0		Favored (11.2%) mt
chi angles: 304.2,188.5		0.09Å---
A 311 GLY82.95-OUTLIER (0.08)%)
Glycine / 147.2,25.4		-----
A 318 LYS97.690.43Å
HB3 with A 318 LYS HE3		Favored (13.29%)
General / 62.2,38.9		Favored (3.6%) mmmt
chi angles: 310.1,267.4,303,172.5		0.04Å---
A 325 LEU72.030.42Å
HD21 with A 268 CYS HB3 		Favored (12.09%)
General / -113.5,-17.9		Favored (20%) mt
chi angles: 311.6,183.2		0.03Å---
A 332 GLN65.750.45Å
NE2 with A 271 GLU HB3 		Favored (83%)
General / -60.4,-48.1		Favored (50.4%) tt0
chi angles: 179.8,188.4,358		0.02Å---
A 348 ALA72.07-Allowed (0.51%)
General / -147.7,-4.3		-0.02Å---
A 354 LYS86.52-Allowed (1.98%)
General / -125.2,-42.8		Favored (62.4%) mttt
chi angles: 306.2,186.8,192.2,169.7		0.03Å---
A 361 PRO62.30.59Å
HD3 with A 304 MET HE2 		Favored (14.1%)
Trans-Pro / -47.4,128.0		Favored (88.9%) Cg_exo
chi angles: 329.9,35.4,334		0.02Å---
A 363 VAL57.730.52Å
HG21 with A 220 TYR CG 		Allowed (1.29%)
Ile or Val / -43.8,129.8		Favored (41.6%) t
chi angles: 168		0.04Å---
A 364 HIS53.29-Allowed (0.59%)
General / -136.8,-42.9		Favored (87.2%) t70
chi angles: 174.3,74.8		0.03Å---
A 377 GLN58.140.49Å
HG2 with A 393 TYR CE2		Favored (49.57%)
General / -70.3,136.2		Favored (13.5%) mt0
chi angles: 315.5,176,288.9		0.02Å---
A 393 TYR55.910.49Å
CE2 with A 377 GLN HG2 		Favored (15.41%)
General / -126.1,167.4		Favored (40.7%) m-80
chi angles: 293,74.3		0.04Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 62.10Clashscore: 3.89Outliers: 2 of 1088Poor rotamers: 19 of 908Outliers: 0 of 1006Outliers: 3 of 1103Outliers: 2 of 1103Non-Trans: 1 of 1091
A 401 ALA49.210.70Å
N with A 402 SER HA 		Favored (64.58%)
General / -73.4,-40.1		-0.03Å---
A 402 SER50.880.70Å
HA with A 401 ALA N 		Favored (10.95%)
General / -114.0,103.2		Allowed (1.8%) t
chi angles: 157.4		0.00Å--Cis nonPRO
omega= 0.73
A 407 ASN59.33-Allowed (1.36%)
General / -165.2,120.8		Allowed (0.8%) t0
chi angles: 165,92.8		0.01Å---
A 414 LEU43.190.40Å
HG with A1001 FAD C2 		Favored (71.1%)
General / -59.6,-33.2		Favored (96%) mt
chi angles: 294.6,173.2		0.01Å---
A 419 VAL50.040.40Å
HG11 with A 99 MET HA 		Favored (77.38%)
Ile or Val / -69.8,-45.4		Favored (33.5%) t
chi angles: 165.7		0.07Å---
A 431 THR77.620.43Å
HG22 with A 432 CYS SG 		Favored (8.8%)
General / -103.4,-34.3		Allowed (1.7%) m
chi angles: 283.2		0.05Å---
A 432 CYS76.470.43Å
SG with A 431 THR HG22 		Favored (32.11%)
General / -134.0,162.4		Favored (95.3%) m
chi angles: 292.1		0.02Å---
A 440 SER104.01-Favored (56.98%)
General / -66.2,137.5		OUTLIER (0%)
chi angles: 114.1		0.02Å---
A 442 ALYS83.30.52Å
N with A1109 HOH O 		Favored (5.63%)
Pre-Pro / -50.6,149.7		Favored (47.1%) pttt
chi angles: 54.2,178.3,188.7,177.8		0.02Å---
A 442 BLYS83.30.53Å
N with A1109 HOH O 		Favored (2.28%)
Pre-Pro / -47.9,149.7		Favored (22.3%) mtmm
chi angles: 296.5,169.5,295.7,302		0.02Å---
A 460 ASP89.53-Allowed (0.7%)
General / -154.4,60.1		Favored (27.2%) t0
chi angles: 199.9,8.8		0.05Å---
A 462 THR95.690.41Å
HG22 with A 463 ILE HG13		Favored (11.09%)
General / -100.7,-31.7		OUTLIER (0.2%)
chi angles: 275.9		0.05Å---
A 463 ILE76.160.41Å
HG13 with A 462 THR HG22 		Favored (9.55%)
Ile or Val / -117.5,100.1		Favored (52.3%) mt
chi angles: 306.9,172.9		0.02Å---
A 472 MET72.810.42Å
HE3 with A 219 THR HA 		Favored (65.41%)
General / -71.9,-43.4		Favored (28.2%) ttp
chi angles: 166.3,190.4,78.4		0.02Å---
A 478 SER78.29-Favored (16.09%)
General / -96.2,-24.8		OUTLIER (0.2%)
chi angles: 30.6		0.02Å---
A 480 ALA64.28-Allowed (1.45%)
General / -143.9,46.7		-0.02Å---
A 481 ALA65.29-Allowed (0.59%)
General / -93.5,-158.1		-0.07Å---
A 485 THR78.04-Favored (10.63%)
General / -124.8,170.8		OUTLIER (0.1%)
chi angles: 25.8		0.06Å---
A 489 LEU71.490.45Å
HD13 with A 540 GLU HA 		Favored (91.29%)
General / -65.3,-38.8		Favored (28%) mt
chi angles: 287,159.2		0.02Å---
A 503 LEU68.940.41Å
HD22 with A 506 LEU HD11		Favored (52.4%)
General / -56.5,-25.9		Favored (54.7%) mt
chi angles: 291.8,180.9		0.00Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 62.10Clashscore: 3.89Outliers: 2 of 1088Poor rotamers: 19 of 908Outliers: 0 of 1006Outliers: 3 of 1103Outliers: 2 of 1103Non-Trans: 1 of 1091
A 506 LEU81.940.41Å
HD11 with A 503 LEU HD22 		Favored (30.47%)
General / -62.1,153.2		Favored (12.3%) mt
chi angles: 276.8,164.6		0.01Å---
A 513 ILE69.13-Allowed (1.38%)
Ile or Val / -124.3,-29.1		Favored (2.6%) tp
chi angles: 188,49.4		0.08Å---
A 540 GLU65.240.45Å
HA with A 489 LEU HD13 		Favored (70.83%)
General / -58.9,-33.7		Favored (20.4%) tm-30
chi angles: 184.9,282.7,330		0.03Å---
A 554 TYR72.25-Allowed (1.1%)
General / -150.9,73.2		Favored (91.7%) m-80
chi angles: 294.2,280.4		0.02Å---
A 567 LEU83.55-Favored (40.64%)
General / -80.0,-24.7		OUTLIER (0.2%)
chi angles: 252.3,48.7		0.01Å---
A 573 ARG88.070.44Å
NH1 with A1106 HOH O 		Favored (82.7%)
Pre-Pro / -71.8,137.1		Favored (66.1%) mtt180
chi angles: 285.5,164,186.8,151.8		0.01Å---
A 586 TYR65.670.46Å
CE1 with A 597 LYS HD2		Favored (51.87%)
General / -133.3,147.4		Favored (56.2%) m-80
chi angles: 300.4,80.4		0.07Å---
A 589 VAL66.760.47Å
HG11 with A 239 ARG HG2 		Favored (20.84%)
Ile or Val / -72.7,-23.4		Favored (17.5%) m
chi angles: 293.2		0.08Å---
A 597 LYS82.660.46Å
HD2 with A 586 TYR CE1 		Favored (9.29%)
General / -127.6,174.2		Favored (5.6%) mttt
chi angles: 296.3,155,190.1,140.7		0.01Å---
A 604 ARG84.740.55Å
NH1 with A1107 HOH O 		Favored (29.99%)
General / -79.7,152.4		Allowed (1.6%) ptt-90
chi angles: 81.7,202.7,153.4,256		0.01Å---
A 607 ASN66.31-Allowed (0.52%)
General / -167.2,102.2		Favored (40.7%) t0
chi angles: 190.6,357.5		0.03Å---
A 618 ILE93.140.42Å
HG12 with A 619 ARG N 		Favored (10.81%)
Ile or Val / -59.0,145.4		OUTLIER (0%)
chi angles: 184.8,202.2		0.03Å---
A 619 ARG74.460.42Å
N with A 618 ILE HG12 		Favored (7.69%)
General / -124.3,102.4		Favored (45.6%) ttt-90
chi angles: 180.7,181.8,181.3,256.2		0.02Å---
B 23 LYS93.380.53Å
HB2 with B 26 ASP HB2		Favored (60.75%)
Pre-Pro / -94.7,113.3		Favored (29%) mttp
chi angles: 290.5,197.9,188.8,68.5		0.02Å---
B 26 ASP95.080.53Å
HB2 with B 23 LYS HB2 		Favored (29.72%)
General / -63.7,127.1		Favored (21.8%) t70
chi angles: 195.3,55.3		0.03Å---
B 45 LEU53.880.43Å
HD22 with B 85 CYS HB3		Favored (73.79%)
General / -58.6,-36.2		Favored (33.8%) tp
chi angles: 180,69.5		0.01Å---
B 56 ASP64.37-Allowed (0.71%)
General / -160.2,83.9		Favored (65.9%) t0
chi angles: 182.8,358.5		0.05Å---
B 57 SER66.15-Favored (4.66%)
General / -67.1,-1.7		OUTLIER (0.2%)
chi angles: 31.9		0.03Å---
B 64 SER52.99-Allowed (0.14%)
General / -154.1,-64.0		Favored (13.9%) t
chi angles: 188.7		0.03Å---
B 66 ARG60.890.41Å
NH2 with A 223 CYS O 		OUTLIER (0.04)%)
General / 44.5,21.2		Allowed (0.9%) ppt90
chi angles: 61.6,79.8,167.2,77.3		0.12Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 62.10Clashscore: 3.89Outliers: 2 of 1088Poor rotamers: 19 of 908Outliers: 0 of 1006Outliers: 3 of 1103Outliers: 2 of 1103Non-Trans: 1 of 1091
B 79 GLY53.930.41Å
HA3 with C 31 LYS HB3		Favored (57.09%)
Glycine / 95.0,-18.6		-----
B 85 CYS59.440.43Å
HB3 with B 45 LEU HD22 		Favored (56.78%)
General / -85.6,-9.8		Favored (27.2%) p
chi angles: 59.8		0.01Å---
B 90 ASP76.26-Allowed (1.25%)
Pre-Pro / -78.2,103.2		Favored (63.1%) t0
chi angles: 180.2,355.6		0.06Å---
B 92 ASP73.38-Allowed (1.62%)
General / -68.9,102.6		Favored (68%) t0
chi angles: 183.5,350.7		0.05Å---
B 107 VAL55.930.50Å
HB with C 22 PRO HG2		Favored (25.31%)
Ile or Val / -92.0,112.2		Favored (70.4%) t
chi angles: 172.2		0.02Å---
B 109 LYS55.3-Allowed (0.45%)
General / -174.6,136.6		Favored (74.2%) tttt
chi angles: 172,169.7,178.2,180.2		0.03Å---
B 110 ASP57.75-Allowed (0.17%)
General / 44.9,-109.3		Favored (83.5%) m-30
chi angles: 287.6,335.3		0.03Å---
B 126 GLU60.92-Allowed (0.78%)
Pre-Pro / 57.7,73.3		Favored (41.3%) mt-10
chi angles: 304.3,195.1,2.7		0.04Å---
B 129 LEU53.730.41Å
HD23 with A 112 ASN O 		Favored (53.34%)
General / -60.1,132.2		Favored (40.3%) tp
chi angles: 183.5,66.4		0.01Å---
B 131 LYS77.9-Favored (32.79%)
General / -122.7,157.2		OUTLIER (0.2%)
chi angles: 283.1,194.8,130,114.3		0.05Å---
B 132 LYS91.29-Allowed (1.06%)
General / -69.2,-63.4		Favored (53.3%) mmtt
chi angles: 302.3,285.6,185.4,197.4		0.01Å---
B 139 LYS75.17-Allowed (1.71%)
General / -93.1,-60.8		Favored (20.8%) mmtm
chi angles: 288.8,284.9,184,304.5		0.03Å---
B 151 LYS56.50.43Å
HB3 with B 192 ILE HD12		Favored (37.75%)
General / -57.2,-21.9		Favored (91.4%) mttt
chi angles: 300.1,178.4,179.8,173.5		0.03Å---
B 164 CYS48.10.44Å
SG with B 165 SER N 		Favored (46.29%)
General / -66.3,-52.6		Favored (30.2%) p
chi angles: 61.1		0.03Å---
B 165 SER49.070.45Å
HA with B 181 PRO HD2		Favored (87.79%)
General / -59.2,-41.1		Favored (18.9%) m
chi angles: 286.8		0.01Å---
B 170 SER47.47-Favored (91.12%)
General / -65.7,-42.3		OUTLIER (0%)
chi angles: 245.5		0.03Å---
B 181 PRO45.660.45Å
HD2 with B 165 SER HA 		Favored (56.22%)
Trans-Pro / -62.7,-37.5		Favored (15.6%) Cg_endo
chi angles: 17.6,330.4,29.3		0.04Å---
B 192 ILE56.050.43Å
HD12 with B 151 LYS HB3 		Favored (10.15%)
Ile or Val / -100.9,5.5		Favored (23%) pt
chi angles: 67.1,164.5		0.08Å---
B 220 ASN61.59-Favored (63.64%)
General / -74.2,-34.2		OUTLIER (0.3%)
chi angles: 241,37.7		0.01Å---
C 22 PRO55.690.50Å
HG2 with B 107 VAL HB 		Favored (11.92%)
Trans-Pro / -84.4,151.1		Favored (60.2%) Cg_endo
chi angles: 31.9,321.2,30.3		0.06Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 62.10Clashscore: 3.89Outliers: 2 of 1088Poor rotamers: 19 of 908Outliers: 0 of 1006Outliers: 3 of 1103Outliers: 2 of 1103Non-Trans: 1 of 1091
C 26 HIS55.41-Allowed (0.17%)
General / -145.6,-79.6		Favored (3.4%) p90
chi angles: 40,85.6		0.05Å---
C 27 ILE61.360.47Å
HG22 with C 202 FTN H12		Favored (60.92%)
Ile or Val / -59.1,-36.1		Favored (5.6%) pt
chi angles: 52.9,183.5		0.07Å---
C 31 LYS63.580.41Å
HB3 with B 79 GLY HA3 		Favored (28.33%)
General / -83.6,146.3		Allowed (1.7%) ptmt
chi angles: 98.3,167.5,297.4,192.6		0.01Å---
C 41 THR49.890.42Å
HG21 with C1002 UMQ HL2		Favored (73.47%)
General / -64.8,-32.0		Favored (94.1%) m
chi angles: 300.9		0.07Å---
C 47 VAL48.20.42Å
O with C 51 LEU HG 		Favored (80.31%)
Ile or Val / -63.6,-37.7		Favored (64.3%) t
chi angles: 179.4		0.04Å---
C 51 LEU60.150.42Å
HG with C 47 VAL O 		Favored (79.83%)
General / -65.3,-35.1		Favored (32%) mt
chi angles: 300.4,187.6		0.06Å---
C 53 VAL56.35-Favored (55.3%)
Ile or Val / -64.8,-31.8		OUTLIER (0.3%)
chi angles: 151.4		0.10Å---
C 78 SER93.32-Allowed (0.67%)
General / 37.0,63.7		Favored (71%) m
chi angles: 295.1		0.04Å---
C 93 PHE67.490.40Å
HB3 with C 94 PRO HD3		Favored (98.99%)
Pre-Pro / -59.4,-46.4		Favored (45.3%) t80
chi angles: 181.2,276.5		0.03Å---
C 94 PRO55.080.40Å
HD3 with C 93 PHE HB3 		Favored (18.77%)
Trans-Pro / -64.7,-41.5		Favored (37.2%) Cg_exo
chi angles: 338.6,34.9,326.2		0.01Å---
C 99 THR48.40.59Å
HG23 with C 201 HEM HMC3		Favored (64.79%)
General / -65.6,-50.5		Favored (20.5%) m
chi angles: 308.6		0.02Å---
C 118 GLN54.990.74Å
OE1 with C1007 UNL O 		Favored (57.77%)
General / -76.2,-29.6		Favored (81.6%) mt0
chi angles: 293.4,182.7,296.2		0.02Å---
C 131 LEU68.27-Favored (84.92%)
General / -67.5,-38.8		OUTLIER (0.1%)
chi angles: 261.6,150.4		0.04Å---
D 9 HIS59.260.47Å
HE1 with D 305 HOH O 		Favored (69.54%)
General / -64.6,-49.8		Favored (10.5%) t-90
chi angles: 191.7,240.6		0.02Å---
D 19 LEU66.33-Favored (56.67%)
General / -50.5,-48.6		OUTLIER (0.1%)
chi angles: 223.3,79.1		0.06Å---
D 21 LEU56.140.50Å
O with D 25 PRO HD2		Favored (66.45%)
General / -52.6,-48.4		Favored (11.9%) tp
chi angles: 194.5,56		0.04Å---
D 25 PRO63.060.50Å
HD2 with D 21 LEU O 		Favored (20.8%)
Trans-Pro / -67.0,-36.9		Favored (6.8%) Cg_endo
chi angles: 12.7,333.7,28.9		0.04Å---
D 30 TYR107.27-Favored (33.45%)
Pre-Pro / -123.6,65.5		OUTLIER (0.2%)
chi angles: 335.7,296.1		0.04Å---
D 36 ASP57.040.60Å
OD2 with D 213 UNL O 		Favored (67.1%)
General / -57.8,-52.0		Favored (73.7%) m-30
chi angles: 280.1,351.5		0.03Å---
D 44 THR56.450.52Å
HG21 with D 80 PHE HB2		Favored (40.75%)
General / -76.0,-44.1		Favored (88.6%) m
chi angles: 298.6		0.03Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 62.10Clashscore: 3.89Outliers: 2 of 1088Poor rotamers: 19 of 908Outliers: 0 of 1006Outliers: 3 of 1103Outliers: 2 of 1103Non-Trans: 1 of 1091
D 49 TRP53.970.48Å
HE1 with D 202 UNL C5 		Favored (92.51%)
General / -60.2,-45.6		Favored (24.8%) m-10
chi angles: 282.7,343.6		0.06Å---
D 63 THR74-Allowed (1.58%)
Pre-Pro / -79.0,-48.7		OUTLIER (0.2%)
chi angles: 276.2		0.10Å---
D 80 PHE54.20.52Å
HB2 with D 44 THR HG21 		Favored (84.89%)
General / -64.7,-36.6		Favored (72.3%) t80
chi angles: 177.3,68.3		0.03Å---
D 90 ASP65.31-Allowed (0.89%)
General / -110.1,-163.9		Favored (7.3%) t0
chi angles: 204.6,328.6		0.11Å---
A1001 FAD56.030.56Å
H1B with A 25 GLY HA2 		--- OUTLIER(S)
worst is C5A--C6A: 7.2 σ		 OUTLIER(S)
worst is C2'-C1'-N10: 10.0 σ		-
A1002 OAA62.641.11Å
C2 with A 297 ARG HH22 		--- OUTLIER(S)
worst is C3--O3: 4.1 σ		--
A1005 PEG81.760.47Å
H32 with A1238 HOH O 		------
A1023 UNL55.210.48Å
O with A 88 ASP OD2 		------
A1025 UNL50.550.43Å
O with A 101 GLU OE2 		------
B1002 SF447.37---- OUTLIER(S)
worst is S1--FE3: 5.4 σ		 OUTLIER(S)
worst is FE2-S1-FE4: 4.7 σ		-
B1008 UNL64.710.41Å
N1 with A 226 ALA HB2 		------
C 202 FTN73.140.47Å
H12 with C 27 ILE HG22 		------
C 201 HEM57.730.59Å
HMC3 with C 99 THR HG23 		------
C1002 UMQ93.470.42Å
HL2 with C 41 THR HG21 		------
C1007 UNL43.480.74Å
O with C 118 GLN OE1 		------
D 202 UNL86.530.48Å
C5 with D 49 TRP HE1 		------
D 213 UNL56.450.60Å
O with D 36 ASP OD2 		------
D 214 UNL59.340.57Å
O with D 215 UNL O 		------
D 215 UNL63.390.57Å
O with D 214 UNL O 		------
A1106 HOH76.210.44Å
O with A 573 ARG NH1 		------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 62.10Clashscore: 3.89Outliers: 2 of 1088Poor rotamers: 19 of 908Outliers: 0 of 1006Outliers: 3 of 1103Outliers: 2 of 1103Non-Trans: 1 of 1091
A1107 HOH63.040.55Å
O with A 604 ARG NH1 		------
A1109 HOH77.330.53Å
O with A 442 BLYS N 		------
A1238 HOH540.47Å
O with A1005 PEG H32 		------
D 305 HOH52.480.47Å
O with D 9 HIS HE1 		------
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