A0A077YWI1_TRITR Loading...

Tetratricopeptide repeat protein 17

AlphaFold DB , UniProt , Accession A0A077YWI1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,024 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.2Very low51.2Low105 Ų10564.5 Ų64.552%0.51735%0.351SS..  0-74.30-164.4-171.3-11100109.5C3 V4 V5 L308M1-C3 VanDerWaalsContact C-N 3.31Å; M1-C3 PolarHBondContact O-N 3.28Å; M1-V4 WeakPolarHBondContact O-CA 3.37Å; M1-V4 WeakPolarHBondContact O-CB 3.24Å; M1-V4 PolarHBondContact O-N 3.08Å; M1-V5 PolarHBondContact O-N 2.96Å; M1-L308 HydrophobicContact CE-CD1 4Å; M1-L308 HydrophobicContact CE-CD2 3.63Å; M1-L308 HydrophobicContact CE-CG 4.27Å; M1-L308 HydrophobicContact CG-CD1 4.2Å
2V38.7Very low51.9Low20 Ų2063.1 Ų63.112%0.12135%0.354CS..Hα-helixtrans-35.2-52.7166.1127.50000115V4 V5 F6 L323 V327V2-V4 PolarHBondContact O-N 2.78Å; V2-V5 PolarHBondContact O-N 2.87Å; V2-F6 WeakPolarHBondContact O-CB 3.37Å; V2-F6 PolarHBondContact O-N 2.83Å; V2-L323 HydrophobicContact CB-CD2 4.3Å; V2-L323 HydrophobicContact CG2-CB 3.7Å; V2-L323 HydrophobicContact CG2-CD2 4.15Å; V2-L323 HydrophobicContact CG2-CG 4.15Å; V2-L323 WeakPolarHBondContact CG2-O 3.4Å; V2-V327 HydrophobicContact CB-CG2 4.12Å; V2-V327 HydrophobicContact CG1-CB 3.95Å; V2-V327 HydrophobicContact CG1-CG1 4.17Å; V2-V327 HydrophobicContact CG1-CG2 3.32Å; V2-V327 HydrophobicContact CG2-CB 4.02Å; V2-V327 HydrophobicContact CG2-CG2 3.65Å
3C40.6Very low52.9Low95 Ų9568.7 Ų68.764%0.64238%0.375SS*.Hα-helixtrans-64.6-27.4-177.9-49.20000112.8M1 F7M1-C3 VanDerWaalsContact C-N 3.31Å; M1-C3 PolarHBondContact O-N 3.28Å; C3-F7 WeakPolarHBondContact O-CB 3.3Å; C3-F7 PolarHBondContact O-N 2.82Å
4V49.3Very low53.7Low54 Ų5471 Ų7133%0.32738%0.38SS..Hα-helixtrans-77.7-41.5177.9-172.50000110.6M1 V2 F6 F7 L8 L304M1-V4 WeakPolarHBondContact O-CA 3.37Å; M1-V4 WeakPolarHBondContact O-CB 3.24Å; M1-V4 PolarHBondContact O-N 3.08Å; V2-V4 PolarHBondContact O-N 2.78Å; V4-F6 PolarHBondContact O-N 3.04Å; V4-F7 PolarHBondContact O-N 2.87Å; V4-L8 HydrophobicContact CG1-CD1 3.97Å; V4-L8 HydrophobicContact CG1-CG 4.39Å; V4-L8 WeakPolarHBondContact O-CB 3.24Å; V4-L8 WeakPolarHBondContact O-CD1 3.03Å; V4-L8 WeakPolarHBondContact O-CG 3.28Å; V4-L8 PolarHBondContact O-N 2.82Å; V4-L304 HydrophobicContact CB-CD2 4.11Å; V4-L304 HydrophobicContact CG1-CD2 3.67Å; V4-L304 HydrophobicContact CG2-CD2 4.01Å
5V52Low54.3Low37 Ų3767.5 Ų67.522%0.22436%0.361CS..Hα-helixtrans-61.3-39.4173.1177.90000110.4M1 V2 A9 Y324M1-V5 PolarHBondContact O-N 2.96Å; V2-V5 PolarHBondContact O-N 2.87Å; V5-A9 WeakPolarHBondContact O-CB 3.08Å; V5-A9 PolarHBondContact O-N 2.95Å; V5-Y324 HydrophobicContact CG1-CD2 4Å; V5-Y324 HydrophobicContact CG1-CE2 3.77Å
6F51.4Low54.9Low56 Ų5669.2 Ų69.225%0.24636%0.364CS..Hα-helixtrans-64.5-51.5175.2-104-103.4000113.4V2 V4 L8 A9 E10 V327 T328V2-F6 WeakPolarHBondContact O-CB 3.37Å; V2-F6 PolarHBondContact O-N 2.83Å; V4-F6 PolarHBondContact O-N 3.04Å; F6-L8 VanDerWaalsContact C-N 3.26Å; F6-L8 PolarHBondContact O-N 3.26Å; F6-A9 PolarHBondContact O-N 2.82Å; F6-E10 PolarHBondContact O-N 3.37Å; F6-V327 HydrophobicContact CD1-CG1 3.72Å; F6-V327 HydrophobicContact CD2-CB 3.81Å; F6-V327 HydrophobicContact CD2-CG1 3.3Å; F6-V327 HydrophobicContact CE1-CG1 3.81Å; F6-V327 HydrophobicContact CE2-CB 3.74Å; F6-V327 HydrophobicContact CE2-CG1 3.45Å; F6-V327 VanDerWaalsContact CE2-CG1 3.45Å; F6-V327 WeakPolarHBondContact CE2-O 3.29Å; F6-V327 HydrophobicContact CG-CB 4.47Å; F6-V327 HydrophobicContact CG-CG1 3.48Å; F6-V327 VanDerWaalsContact CG-CG1 3.48Å; F6-V327 HydrophobicContact CZ-CB 4.29Å; F6-V327 HydrophobicContact CZ-CG1 3.73Å; F6-V327 WeakPolarHBondContact CZ-O 3.42Å; F6-T328 VanDerWaalsContact CE2-CA 3.46Å; F6-T328 HydrophobicContact CE2-CG2 3.83Å
7F54.6Low55.7Low118 Ų11873.2 Ų73.252%0.51837%0.373SS..Hα-helixtrans-55.6-43176.3-170.9-109.8000111.5C3 V4 I11 I297C3-F7 WeakPolarHBondContact O-CB 3.3Å; C3-F7 PolarHBondContact O-N 2.82Å; V4-F7 PolarHBondContact O-N 2.87Å; F7-I11 HydrophobicContact CD1-CD1 3.67Å; F7-I11 HydrophobicContact CD2-CD1 4.23Å; F7-I11 HydrophobicContact CE1-CD1 3.44Å; F7-I11 VanDerWaalsContact CE1-CD1 3.44Å; F7-I11 HydrophobicContact CE2-CD1 4.04Å; F7-I11 HydrophobicContact CG-CD1 4.06Å; F7-I11 HydrophobicContact CZ-CD1 3.65Å; F7-I11 WeakPolarHBondContact O-CB 3.37Å; F7-I11 WeakPolarHBondContact O-CD1 3.36Å; F7-I11 WeakPolarHBondContact O-CG1 3.49Å; F7-I11 PolarHBondContact O-N 2.83Å; F7-I297 HydrophobicContact CE1-CG2 4.43Å
8L57.9Low56.2Low23 Ų2370.4 Ų70.412%0.1236%0.359CS..Hα-helixtrans-68.2-35.3176.4-67.6166.9000113.4V4 F6 A12 I297 G301V4-L8 HydrophobicContact CG1-CD1 3.97Å; V4-L8 HydrophobicContact CG1-CG 4.39Å; V4-L8 WeakPolarHBondContact O-CB 3.24Å; V4-L8 WeakPolarHBondContact O-CD1 3.03Å; V4-L8 WeakPolarHBondContact O-CG 3.28Å; V4-L8 PolarHBondContact O-N 2.82Å; F6-L8 VanDerWaalsContact C-N 3.26Å; F6-L8 PolarHBondContact O-N 3.26Å; L8-A12 WeakPolarHBondContact O-CB 3.11Å; L8-A12 PolarHBondContact O-N 3.25Å; L8-I297 HydrophobicContact CD2-CG2 4.26Å; L8-G301 VanDerWaalsContact CD1-CA 3.48Å
9A56.5Low56.5Low53 Ų5369.3 Ų69.344%0.43835%0.353SS..Hα-helixtrans-75.2-42.6178.800000112.7V5 F6 I11 A12 H13V5-A9 WeakPolarHBondContact O-CB 3.08Å; V5-A9 PolarHBondContact O-N 2.95Å; F6-A9 PolarHBondContact O-N 2.82Å; A9-I11 VanDerWaalsContact C-N 3.34Å; A9-A12 PolarHBondContact O-N 3.27Å; A9-H13 PolarHBondContact O-N 3.34Å
10E61.2Low56.9Low128 Ų12869.6 Ų69.660%0.59836%0.356SS*.Hα-helixtrans-61.8-43.6172.5-74-171.5151.500110.9F6 H13 F14F6-E10 PolarHBondContact O-N 3.37Å; E10-H13 PolarHBondContact O-N 3.36Å; E10-F14 VanDerWaalsContact O-CB 3.29Å; E10-F14 WeakPolarHBondContact O-CB 3.37Å; E10-F14 PolarHBondContact O-N 2.8Å
11I61.7Low57.3Low21 Ų2170.8 Ų70.811%0.10836%0.36CS..Hα-helixtrans-60.7-47.8174.6-74.3173000110.6F7 A9 H13 F14 I15 Y294 I297F7-I11 HydrophobicContact CD1-CD1 3.67Å; F7-I11 HydrophobicContact CD2-CD1 4.23Å; F7-I11 HydrophobicContact CE1-CD1 3.44Å; F7-I11 VanDerWaalsContact CE1-CD1 3.44Å; F7-I11 HydrophobicContact CE2-CD1 4.04Å; F7-I11 HydrophobicContact CG-CD1 4.06Å; F7-I11 HydrophobicContact CZ-CD1 3.65Å; F7-I11 WeakPolarHBondContact O-CB 3.37Å; F7-I11 WeakPolarHBondContact O-CD1 3.36Å; F7-I11 WeakPolarHBondContact O-CG1 3.49Å; F7-I11 PolarHBondContact O-N 2.83Å; A9-I11 VanDerWaalsContact C-N 3.34Å; I11-H13 VanDerWaalsContact C-N 3.3Å; I11-H13 PolarHBondContact O-N 3.19Å; I11-F14 PolarHBondContact O-N 3.01Å; I11-I15 HydrophobicContact CG2-CD1 3.54Å; I11-I15 HydrophobicContact CG2-CG1 4.29Å; I11-I15 WeakPolarHBondContact O-CB 3.49Å; I11-I15 VanDerWaalsContact O-CD1 3.24Å; I11-I15 WeakPolarHBondContact O-CD1 3.28Å; I11-I15 WeakPolarHBondContact O-CG1 3.47Å; I11-I15 PolarHBondContact O-N 3.17Å; I11-Y294 HydrophobicContact CG2-CD1 3.88Å; I11-Y294 HydrophobicContact CG2-CE1 4.4Å; I11-I297 HydrophobicContact CD1-CD1 4.45Å; I11-I297 HydrophobicContact CD1-CG2 3.88Å
12A60.4Low58.3Low47 Ų4768.9 Ų68.939%0.38835%0.347SS..Hα-helixtrans-58-39.5175.800000113.1L8 A9 K16L8-A12 WeakPolarHBondContact O-CB 3.11Å; L8-A12 PolarHBondContact O-N 3.25Å; A9-A12 PolarHBondContact O-N 3.27Å; A12-K16 WeakPolarHBondContact O-CB 3.29Å; A12-K16 PolarHBondContact O-N 3.22Å; A12-K16 VanDerWaalsContact O-N 3.09Å
13H64.6Low59.2Low136 Ų13673.7 Ų73.763%0.6336%0.363SS*.Hα-helixtrans-72-41177.9-166.4-2.9000112.5A9 E10 I11 K16 R17A9-H13 PolarHBondContact O-N 3.34Å; E10-H13 PolarHBondContact O-N 3.36Å; I11-H13 VanDerWaalsContact C-N 3.3Å; I11-H13 PolarHBondContact O-N 3.19Å; H13-K16 PolarHBondContact O-N 3.09Å; H13-R17 PolarHBondContact O-N 2.94Å
14F64Low60Low101 Ų10174.1 Ų74.144%0.44337%0.367SS..Hα-helixtrans-60.7-47.2176.3-176.2-116.1000111.3E10 I11 K16 R17 I18 Y294E10-F14 VanDerWaalsContact O-CB 3.29Å; E10-F14 WeakPolarHBondContact O-CB 3.37Å; E10-F14 PolarHBondContact O-N 2.8Å; I11-F14 PolarHBondContact O-N 3.01Å; F14-K16 PolarHBondContact O-N 3.08Å; F14-R17 WeakPolarHBondContact O-CB 3.44Å; F14-R17 PolarHBondContact O-N 3.4Å; F14-I18 HydrophobicContact CD1-CD1 3.88Å; F14-I18 HydrophobicContact CE1-CD1 3.54Å; F14-I18 HydrophobicContact CE2-CD1 4.21Å; F14-I18 HydrophobicContact CG-CD1 4.37Å; F14-I18 HydrophobicContact CZ-CD1 3.72Å; F14-I18 PolarHBondContact O-N 2.04Å; F14-Y294 HydrophobicContact CD1-CE1 4.45Å; F14-Y294 VanDerWaalsContact CE1-OH 3.25Å; F14-Y294 WeakPolarHBondContact CE1-OH 3.33Å
15I63Low60.4Low18 Ų1874.9 Ų74.99%0.09238%0.379CS..Hα-helixtrans-55.1-50.7172.5-66160.6000110.8I11 R17 I18 I19 Y294I11-I15 HydrophobicContact CG2-CD1 3.54Å; I11-I15 HydrophobicContact CG2-CG1 4.29Å; I11-I15 WeakPolarHBondContact O-CB 3.49Å; I11-I15 VanDerWaalsContact O-CD1 3.24Å; I11-I15 WeakPolarHBondContact O-CD1 3.28Å; I11-I15 WeakPolarHBondContact O-CG1 3.47Å; I11-I15 PolarHBondContact O-N 3.17Å; I15-R17 PolarHBondContact O-N 3.46Å; I15-I18 PolarHBondContact O-N 3.33Å; I15-I19 HydrophobicContact CG2-CD1 3.53Å; I15-I19 HydrophobicContact CG2-CG1 4.21Å; I15-I19 WeakPolarHBondContact O-CG1 3.42Å; I15-I19 PolarHBondContact O-N 2.85Å; I15-Y294 VanDerWaalsContact CD1-CB 3.43Å; I15-Y294 HydrophobicContact CD1-CD1 3.62Å; I15-Y294 HydrophobicContact CD1-CD2 4.01Å; I15-Y294 HydrophobicContact CD1-CE1 4.37Å; I15-Y294 HydrophobicContact CD1-CG 3.42Å; I15-Y294 VanDerWaalsContact CD1-CG 3.42Å; I15-Y294 HydrophobicContact CG1-CD1 3.6Å; I15-Y294 HydrophobicContact CG1-CD2 3.51Å; I15-Y294 HydrophobicContact CG1-CE1 3.9Å; I15-Y294 HydrophobicContact CG1-CE2 3.83Å; I15-Y294 HydrophobicContact CG1-CG 3.41Å; I15-Y294 VanDerWaalsContact CG1-CG 3.41Å
16K63.8Low60.9Low95 Ų9574.6 Ų74.641%0.41338%0.376SS..Hα-helixtrans-61-34.1-179.2-171.1170.1-174.4171.40112A12 H13 F14 N20 V399A12-K16 WeakPolarHBondContact O-CB 3.29Å; A12-K16 PolarHBondContact O-N 3.22Å; A12-K16 VanDerWaalsContact O-N 3.09Å; H13-K16 PolarHBondContact O-N 3.09Å; F14-K16 PolarHBondContact O-N 3.08Å; K16-N20 WeakPolarHBondContact O-CB 3.43Å; K16-N20 PolarHBondContact O-N 3.35Å; K16-N20 VanDerWaalsContact O-N 3.08Å; K16-V399 PolarHBondContact NZ-O 3.2Å
17R68.8Low61.6Low137 Ų13774.1 Ų74.152%0.51738%0.376SS..Hα-helixtrans-67.5-48.4175.8-151.1-170.383-165.6-0.3111.5H13 F14 I15 I19 N20 E21H13-R17 PolarHBondContact O-N 2.94Å; F14-R17 WeakPolarHBondContact O-CB 3.44Å; F14-R17 PolarHBondContact O-N 3.4Å; I15-R17 PolarHBondContact O-N 3.46Å; R17-I19 PolarHBondContact O-N 3.2Å; R17-N20 PolarHBondContact O-N 3.28Å; R17-E21 WeakPolarHBondContact CD-OE1 3.32Å; R17-E21 WeakPolarHBondContact CG-OE1 3.47Å; R17-E21 IonicContact CZ-OE1 3.56Å; R17-E21 IonicContact NE-OE1 3.49Å; R17-E21 PolarHBondContact NE-OE1 3.45Å; R17-E21 IonicContact NE-OE2 2.73Å; R17-E21 IonicContact NH2-OE1 3.8Å; R17-E21 IonicContact NH2-OE2 3.19Å; R17-E21 WeakPolarHBondContact O-CB 3.2Å; R17-E21 WeakPolarHBondContact O-CG 3.35Å; R17-E21 PolarHBondContact O-N 2.65Å
18I63.2Low62.2Low23 Ų2372.9 Ų72.912%0.11838%0.38CS..Hα-helixtrans-60.2-46.1177.6-68.2169.8000111.4F14 I15 N20 E21 R22 L287 E290F14-I18 HydrophobicContact CD1-CD1 3.88Å; F14-I18 HydrophobicContact CE1-CD1 3.54Å; F14-I18 HydrophobicContact CE2-CD1 4.21Å; F14-I18 HydrophobicContact CG-CD1 4.37Å; F14-I18 HydrophobicContact CZ-CD1 3.72Å; F14-I18 PolarHBondContact O-N 2.04Å; I15-I18 PolarHBondContact O-N 3.33Å; I18-N20 PolarHBondContact O-N 3.3Å; I18-E21 PolarHBondContact O-N 2.8Å; I18-R22 PolarHBondContact O-N 2.82Å; I18-L287 HydrophobicContact CG2-CD1 4.45Å; I18-E290 WeakPolarHBondContact CG2-OE2 3.29Å
19I63Low62.7Low49 Ų4975.3 Ų75.325%0.25139%0.393SS..Hα-helixtrans-59.2-46.4177.1-68169.9000110.6I15 R17 R23 L287 V291I15-I19 HydrophobicContact CG2-CD1 3.53Å; I15-I19 HydrophobicContact CG2-CG1 4.21Å; I15-I19 WeakPolarHBondContact O-CG1 3.42Å; I15-I19 PolarHBondContact O-N 2.85Å; R17-I19 PolarHBondContact O-N 3.2Å; I19-R23 WeakPolarHBondContact O-CB 3.37Å; I19-R23 PolarHBondContact O-N 2.97Å; I19-L287 HydrophobicContact CG1-CD1 4.06Å; I19-V291 HydrophobicContact CD1-CG2 4.06Å; I19-V291 HydrophobicContact CG1-CG2 4.17Å
20N64.5Low63.4Low76 Ų7674.8 Ų74.841%0.40638%0.383SS..Hα-helixtrans-67.8-41.7-180-78.33000112.5K16 R17 I18 S24K16-N20 WeakPolarHBondContact O-CB 3.43Å; K16-N20 PolarHBondContact O-N 3.35Å; K16-N20 VanDerWaalsContact O-N 3.08Å; R17-N20 PolarHBondContact O-N 3.28Å; I18-N20 PolarHBondContact O-N 3.3Å; N20-S24 PolarHBondContact O-N 3.04Å; N20-S24 VanDerWaalsContact O-N 3.08Å
21E64.2Low63.8Low95 Ų9571.4 Ų71.444%0.44437%0.367SS..Hα-helixtrans-59.1-48.2176.2-75.8168-175.300110.6R17 I18 S24R17-E21 WeakPolarHBondContact CD-OE1 3.32Å; R17-E21 WeakPolarHBondContact CG-OE1 3.47Å; R17-E21 IonicContact CZ-OE1 3.56Å; R17-E21 IonicContact NE-OE1 3.49Å; R17-E21 PolarHBondContact NE-OE1 3.45Å; R17-E21 IonicContact NE-OE2 2.73Å; R17-E21 IonicContact NH2-OE1 3.8Å; R17-E21 IonicContact NH2-OE2 3.19Å; R17-E21 WeakPolarHBondContact O-CB 3.2Å; R17-E21 WeakPolarHBondContact O-CG 3.35Å; R17-E21 PolarHBondContact O-N 2.65Å; I18-E21 PolarHBondContact O-N 2.8Å; E21-S24 PolarHBondContact O-N 2.66Å; E21-S24 PolarHBondContact O-OG 3.11Å
22R61.4Low64.2Low64 Ų6471 Ų7124%0.24237%0.366CS..Hα-helixtrans-73-38.9178.7-68.9-170.9-179.3167.712.4114I18 S24 A25 D26 N283 T286 L287 E290I18-R22 PolarHBondContact O-N 2.82Å; R22-S24 PolarHBondContact O-N 3.34Å; R22-A25 WeakPolarHBondContact O-CA 2.98Å; R22-A25 WeakPolarHBondContact O-CB 3.42Å; R22-A25 PolarHBondContact O-N 3.45Å; R22-D26 PolarHBondContact O-N 3.48Å; R22-D26 VanDerWaalsContact O-N 3.14Å; R22-N283 WeakPolarHBondContact CD-OD1 3.44Å; R22-T286 PolarHBondContact NH1-OG1 3.45Å; R22-L287 HydrophobicContact CB-CD1 4.38Å; R22-E290 IonicContact CZ-OE1 2.67Å; R22-E290 IonicContact CZ-OE2 3.78Å; R22-E290 IonicContact NH1-OE1 2.89Å; R22-E290 PolarHBondContact NH1-OE1 2.93Å; R22-E290 IonicContact NH1-OE2 3.13Å; R22-E290 PolarHBondContact NH1-OE2 3.29Å; R22-E290 IonicContact NH2-OE1 2.63Å; R22-E290 PolarHBondContact NH2-OE1 3.41Å; R22-E290 IonicContact NH2-OE2 3.16Å; R22-E290 PolarHBondContact NH2-OE2 3.06Å
23R57.9Low64.7Low121 Ų12173.6 Ų73.646%0.45737%0.368SS..Hα-helixtrans-62-24174.4-168.5-179.9-171.5-166.66.7112.4I19 A25 E402 V403I19-R23 WeakPolarHBondContact O-CB 3.37Å; I19-R23 PolarHBondContact O-N 2.97Å; R23-A25 VanDerWaalsContact C-N 3.34Å; R23-E402 PolarHBondContact NH2-O 3.26Å; R23-V403 VanDerWaalsContact CZ-CG2 3.5Å; R23-V403 VanDerWaalsContact NH1-CG2 3.31Å
24S56.1Low65.1Low104 Ų10468.5 Ų68.573%0.72735%0.346SS*.THydrogen-bonded Turntrans-77.4-17.1172.378.40000114.2N20 E21 R22N20-S24 PolarHBondContact O-N 3.04Å; N20-S24 VanDerWaalsContact O-N 3.08Å; E21-S24 PolarHBondContact O-N 2.66Å; E21-S24 PolarHBondContact O-OG 3.11Å; R22-S24 PolarHBondContact O-N 3.34Å
25A58.4Low65.4Low70 Ų7067.3 Ų67.358%0.57934%0.343SS*.THydrogen-bonded Turntrans-89.6-30.2173.600000112.6R22 R23 D27R22-A25 WeakPolarHBondContact O-CA 2.98Å; R22-A25 WeakPolarHBondContact O-CB 3.42Å; R22-A25 PolarHBondContact O-N 3.45Å; R23-A25 VanDerWaalsContact C-N 3.34Å; A25-D27 PolarHBondContact O-N 3.06Å
26D62.3Low65.9Low32 Ų3273.8 Ų73.817%0.17137%0.373CS..  trans-83.593.1-179.6-67.8-37.6000112.6R22 P28 N283R22-D26 PolarHBondContact O-N 3.48Å; R22-D26 VanDerWaalsContact O-N 3.14Å; D26-P28 WeakPolarHBondContact O-CD 3.22Å; D26-N283 PolarHBondContact OD1-ND2 2.98Å; D26-N283 PolarHBondContact OD2-ND2 3.49Å; D26-N283 VanDerWaalsContact OD2-ND2 3.13Å
27D66.7Low66.6Low46 Ų4674.3 Ų74.325%0.24639%0.387CS..  trans-79.5113.4175.5-177.7-6.3000111.5A25 D29 I30 K33 Q280A25-D27 PolarHBondContact O-N 3.06Å; D27-D29 PolarHBondContact O-N 3.22Å; D27-D29 PolarHBondContact OD1-N 2.87Å; D27-I30 HydrophobicContact CB-CB 4.09Å; D27-I30 HydrophobicContact CB-CD1 4.42Å; D27-I30 WeakPolarHBondContact O-CB 3.46Å; D27-I30 WeakPolarHBondContact O-CG2 3.44Å; D27-I30 PolarHBondContact O-N 3.38Å; D27-K33 IonicContact OD1-NZ 3.28Å; D27-K33 PolarHBondContact OD1-NZ 3.45Å; D27-K33 VanDerWaalsContact OD2-CD 3.24Å; D27-K33 WeakPolarHBondContact OD2-CD 3.35Å; D27-K33 WeakPolarHBondContact OD2-CE 3.36Å; D27-K33 IonicContact OD2-NZ 2.75Å; D27-K33 PolarHBondContact OD2-NZ 2.98Å; D27-Q280 PolarHBondContact O-NE2 2.96Å; D27-Q280 VanDerWaalsContact O-NE2 3.12Å
28P66.4Low67Low92 Ų9269.4 Ų69.460%0.59737%0.371SS*.THydrogen-bonded Turntrans-71.9-15.7-177.830.2-36000113.4D26 R461D26-P28 WeakPolarHBondContact O-CD 3.22Å; P28-R461 PolarHBondContact O-NH1 2.86Å; P28-R461 PolarHBondContact O-NH2 3.29Å
29D68.5Low67.9Low73 Ų7373 Ų7339%0.3940%0.396SS..THydrogen-bonded Turntrans-98.87.6178.1-71.8-50.5000113D27 E31 S32 K33 R461D27-D29 PolarHBondContact O-N 3.22Å; D27-D29 PolarHBondContact OD1-N 2.87Å; D29-E31 VanDerWaalsContact C-N 3.35Å; D29-E31 PolarHBondContact O-N 2.87Å; D29-S32 WeakPolarHBondContact O-CA 3.17Å; D29-S32 WeakPolarHBondContact O-CB 3.45Å; D29-S32 PolarHBondContact O-N 3.29Å; D29-K33 HydrophobicContact CB-CD 4.44Å; D29-K33 PolarHBondContact O-N 2.89Å; D29-R461 IonicContact OD1-CZ 3.33Å; D29-R461 IonicContact OD1-NH2 2.89Å; D29-R461 PolarHBondContact OD1-NH2 2.88Å
30I72.2Confident68.8Low43 Ų4372 Ų7222%0.22139%0.391CS..Hα-helixtrans-56.8-41.1-172-159.8160.3000114D27 S32 K33 I34 V276D27-I30 HydrophobicContact CB-CB 4.09Å; D27-I30 HydrophobicContact CB-CD1 4.42Å; D27-I30 WeakPolarHBondContact O-CB 3.46Å; D27-I30 WeakPolarHBondContact O-CG2 3.44Å; D27-I30 PolarHBondContact O-N 3.38Å; I30-S32 VanDerWaalsContact C-N 3.34Å; I30-S32 PolarHBondContact O-N 3.38Å; I30-K33 PolarHBondContact O-N 3.35Å; I30-I34 HydrophobicContact CG1-CD1 4.1Å; I30-I34 WeakPolarHBondContact O-CG1 3.39Å; I30-I34 PolarHBondContact O-N 2.86Å; I30-V276 HydrophobicContact CD1-CG1 3.31Å; I30-V276 HydrophobicContact CG1-CG1 3.66Å; I30-V276 HydrophobicContact CG2-CG1 4.13Å
31E68.3Low69.4Low56 Ų5669.2 Ų69.226%0.26238%0.378SS..Hα-helixtrans-55-48.3171.9167.2-175.6-146.900111.6D29 I34 I35 L273 R461D29-E31 VanDerWaalsContact C-N 3.35Å; D29-E31 PolarHBondContact O-N 2.87Å; E31-I34 PolarHBondContact O-N 3.4Å; E31-I35 HydrophobicContact CG-CD1 3.8Å; E31-I35 WeakPolarHBondContact O-CD1 3.48Å; E31-I35 VanDerWaalsContact O-CG1 3.26Å; E31-I35 WeakPolarHBondContact O-CG1 3.49Å; E31-I35 PolarHBondContact O-N 3.44Å; E31-L273 HydrophobicContact CB-CD1 3.89Å; E31-L273 HydrophobicContact CG-CD1 3.88Å; E31-L273 HydrophobicContact CG-CD2 4.45Å; E31-R461 IonicContact OE2-NH1 2.84Å
32S70.4Confident69.7Low14 Ų1470.3 Ų70.310%0.09839%0.387CS..Hα-helixtrans-69.2-38.5-177.9-620000111.3D29 I30 I35 E36 K465D29-S32 WeakPolarHBondContact O-CA 3.17Å; D29-S32 WeakPolarHBondContact O-CB 3.45Å; D29-S32 PolarHBondContact O-N 3.29Å; I30-S32 VanDerWaalsContact C-N 3.34Å; I30-S32 PolarHBondContact O-N 3.38Å; S32-I35 PolarHBondContact O-N 3.18Å; S32-E36 WeakPolarHBondContact O-CB 2.9Å; S32-E36 VanDerWaalsContact O-CG 3.31Å; S32-E36 WeakPolarHBondContact O-CG 3.39Å; S32-E36 PolarHBondContact O-N 3.4Å; S32-K465 PolarHBondContact OG-NZ 2.87Å
33K72.1Confident69.8Low100 Ų10068.4 Ų68.444%0.43538%0.382SS..Hα-helixtrans-63.9-42176-71.2167.5178.81620112D27 D29 I30 E36 C37D27-K33 IonicContact OD1-NZ 3.28Å; D27-K33 PolarHBondContact OD1-NZ 3.45Å; D27-K33 VanDerWaalsContact OD2-CD 3.24Å; D27-K33 WeakPolarHBondContact OD2-CD 3.35Å; D27-K33 WeakPolarHBondContact OD2-CE 3.36Å; D27-K33 IonicContact OD2-NZ 2.75Å; D27-K33 PolarHBondContact OD2-NZ 2.98Å; D29-K33 HydrophobicContact CB-CD 4.44Å; D29-K33 PolarHBondContact O-N 2.89Å; I30-K33 PolarHBondContact O-N 3.35Å; K33-E36 PolarHBondContact O-N 3.38Å; K33-C37 WeakPolarHBondContact O-CB 3.47Å; K33-C37 PolarHBondContact O-N 2.67Å; K33-C37 PolarHBondContact O-SG 3.16Å
34I71.3Confident69.4Low29 Ų2970.2 Ų70.215%0.14940%0.399CS..Hα-helixtrans-65-47.4176.4-69.9167.5000110.7I30 E31 E36 C37 D38 V276I30-I34 HydrophobicContact CG1-CD1 4.1Å; I30-I34 WeakPolarHBondContact O-CG1 3.39Å; I30-I34 PolarHBondContact O-N 2.86Å; E31-I34 PolarHBondContact O-N 3.4Å; I34-E36 VanDerWaalsContact C-N 3.3Å; I34-E36 PolarHBondContact O-N 2.92Å; I34-C37 PolarHBondContact O-N 3.12Å; I34-D38 HydrophobicContact CG2-CB 4.29Å; I34-D38 WeakPolarHBondContact O-CB 3.29Å; I34-D38 PolarHBondContact O-N 2.95Å; I34-V276 HydrophobicContact CD1-CB 3.9Å; I34-V276 HydrophobicContact CD1-CG1 3.84Å; I34-V276 HydrophobicContact CD1-CG2 3.83Å
35I71.2Confident69.1Low77 Ų7768.2 Ų68.240%0.39539%0.389SS..Hα-helixtrans-61.4-38.1179-68.2166.7000111.7E31 S32E31-I35 HydrophobicContact CG-CD1 3.8Å; E31-I35 WeakPolarHBondContact O-CD1 3.48Å; E31-I35 VanDerWaalsContact O-CG1 3.26Å; E31-I35 WeakPolarHBondContact O-CG1 3.49Å; E31-I35 PolarHBondContact O-N 3.44Å; S32-I35 PolarHBondContact O-N 3.18Å
36E74.4Confident68.6Low153 Ų15366.7 Ų66.772%0.71537%0.371SS*.Hα-helixtrans-81.7-23.8-178.9-70.9175.6-16700114.1S32 K33 I34S32-E36 WeakPolarHBondContact O-CB 2.9Å; S32-E36 VanDerWaalsContact O-CG 3.31Å; S32-E36 WeakPolarHBondContact O-CG 3.39Å; S32-E36 PolarHBondContact O-N 3.4Å; K33-E36 PolarHBondContact O-N 3.38Å; I34-E36 VanDerWaalsContact C-N 3.3Å; I34-E36 PolarHBondContact O-N 2.92Å
37C77.7Confident67.8Low106 Ų10669.3 Ų69.372%0.71638%0.381SS*.Hα-helixtrans-112.3-20.3-173.2-61.20000115.5K33 I34K33-C37 WeakPolarHBondContact O-CB 3.47Å; K33-C37 PolarHBondContact O-N 2.67Å; K33-C37 PolarHBondContact O-SG 3.16Å; I34-C37 PolarHBondContact O-N 3.12Å
38D77.3Confident66.4Low34 Ų3471 Ų7118%0.18240%0.402CS..  trans-86.9126.2-175.3-167.4-71.2000112.1I34 D40 C41 D42 K272I34-D38 HydrophobicContact CG2-CB 4.29Å; I34-D38 WeakPolarHBondContact O-CB 3.29Å; I34-D38 PolarHBondContact O-N 2.95Å; D38-D40 VanDerWaalsContact C-N 3.27Å; D38-D40 PolarHBondContact O-N 3.4Å; D38-D40 WeakPolarHBondContact OD1-CB 3.17Å; D38-D40 PolarHBondContact OD1-N 2.81Å; D38-C41 HydrophobicContact CB-CB 4.24Å; D38-C41 WeakPolarHBondContact O-CA 3.47Å; D38-C41 WeakPolarHBondContact O-CB 3.48Å; D38-C41 PolarHBondContact O-N 3.29Å; D38-D42 PolarHBondContact O-N 2.86Å; D38-K272 IonicContact OD1-NZ 3.78Å; D38-K272 PolarHBondContact OD1-NZ 2.94Å; D38-K272 WeakPolarHBondContact OD2-CD 3.5Å; D38-K272 WeakPolarHBondContact OD2-CE 3.33Å; D38-K272 IonicContact OD2-NZ 2.83Å; D38-K272 PolarHBondContact OD2-NZ 3.34Å
39P81.5Confident65.1Low98 Ų9870.8 Ų70.864%0.63639%0.392SS*.THydrogen-bonded Turntrans-70.7-15.7-176.529.7-37000114.5C41P39-C41 VanDerWaalsContact C-N 3.3Å
40D81.4Confident63.4Low28 Ų2873 Ų7315%0.1540%0.403CS..THydrogen-bonded Turntrans-77.9-18.6168.6-69.9-60.8000111.3D38 V43 R265 R268 K272D38-D40 VanDerWaalsContact C-N 3.27Å; D38-D40 PolarHBondContact O-N 3.4Å; D38-D40 WeakPolarHBondContact OD1-CB 3.17Å; D38-D40 PolarHBondContact OD1-N 2.81Å; D40-V43 WeakPolarHBondContact O-CG2 3.33Å; D40-R265 HydrophobicContact CB-CB 4.44Å; D40-R265 CarbonylContact O-C 3.4Å; D40-R268 HydrophobicContact CB-CB 4.07Å; D40-R268 IonicContact OD1-NH1 3.37Å; D40-K272 IonicContact OD2-NZ 3.63Å; D40-K272 PolarHBondContact OD2-NZ 2.75Å
41C77.3Confident61.5Low18 Ų1876.4 Ų76.412%0.12243%0.428CS..THydrogen-bonded Turntrans-90.3-10.1177.3-63.90000114.5D38 P39 V43 C269D38-C41 HydrophobicContact CB-CB 4.24Å; D38-C41 WeakPolarHBondContact O-CA 3.47Å; D38-C41 WeakPolarHBondContact O-CB 3.48Å; D38-C41 PolarHBondContact O-N 3.29Å; P39-C41 VanDerWaalsContact C-N 3.3Å; C41-V43 PolarHBondContact O-N 2.91Å; C41-C269 WeakPolarHBondContact CA-SG 3.18Å; C41-C269 HydrophobicContact CB-CB 4Å; C41-C269 WeakPolarHBondContact CB-SG 3.18Å; C41-C269 WeakPolarHBondContact SG-CB 3.38Å; C41-C269 CovalentContact SG-SG 2.04Å; C41-C269 PolarHBondContact SG-SG 3.42Å
42D71.3Confident60.3Low119 Ų11976.5 Ų76.564%0.63644%0.444SS*.  trans-7033.2175.8-168.828.1000113.6D38 I44D38-D42 PolarHBondContact O-N 2.86Å; D42-I44 PolarHBondContact O-N 3.28Å
43V63.3Low59.6Low23 Ų2377.8 Ų77.814%0.13945%0.451CS..  trans-101.870.8-177.1-172.30000109.3D40 C41 A45 L46 T262 R265D40-V43 WeakPolarHBondContact O-CG2 3.33Å; C41-V43 PolarHBondContact O-N 2.91Å; V43-A45 PolarHBondContact O-N 3.36Å; V43-L46 HydrophobicContact CG1-CB 3.91Å; V43-T262 HydrophobicContact CG1-CG2 3.41Å; V43-T262 VanDerWaalsContact CG1-CG2 3.41Å; V43-R265 HydrophobicContact CG2-CB 3.78Å
44I50.4Low59.6Low159 Ų15973.4 Ų73.482%0.81543%0.432SS*.THydrogen-bonded Turntrans-68.777.1179-50.8174000110.7D42D42-I44 PolarHBondContact O-N 3.28Å
45A49.1Very low59.6Low63 Ų6373.1 Ų73.152%0.52143%0.432SS..THydrogen-bonded Turntrans171.5-34.4153.600000112.3V43 F47 A48 Q49V43-A45 PolarHBondContact O-N 3.36Å; A45-F47 PolarHBondContact O-N 3.46Å; A45-A48 WeakPolarHBondContact O-CB 3.32Å; A45-A48 PolarHBondContact O-N 3.49Å; A45-Q49 PolarHBondContact O-N 3.01Å
46L48.7Very low60.1Low37 Ų3771.3 Ų71.319%0.19443%0.425CS..THydrogen-bonded Turntrans-76.5-25.1-159.3-130.977.5000114.4V43 F259 T262 Y263V43-L46 HydrophobicContact CG1-CB 3.91Å; L46-F259 HydrophobicContact CD1-CE2 4.09Å; L46-F259 HydrophobicContact CD2-CE2 4.45Å; L46-F259 HydrophobicContact CD2-CZ 4.5Å; L46-T262 HydrophobicContact CD1-CG2 4.41Å; L46-T262 HydrophobicContact CD2-CG2 4Å; L46-Y263 HydrophobicContact CD2-CD2 3.72Å
47F44.7Very low60.7Low87 Ų8764.7 Ų64.738%0.38240%0.396SS..THydrogen-bonded Turntrans-94.9-1.9167.5-70.1-60.6000114.1A45 A266 H270A45-F47 PolarHBondContact O-N 3.46Å; F47-A266 HydrophobicContact CD2-CB 4.22Å; F47-A266 VanDerWaalsContact CE2-CA 3.43Å; F47-A266 HydrophobicContact CE2-CB 3.37Å; F47-A266 WeakPolarHBondContact CE2-O 3.34Å; F47-A266 HydrophobicContact CZ-CB 3.56Å; F47-A266 VanDerWaalsContact CZ-O 3.24Å; F47-A266 WeakPolarHBondContact CZ-O 3.34Å; F47-H270 AromaticContact CD1-NE2 3.55Å; F47-H270 AromaticContact CD2-CD2 3.93Å; F47-H270 AromaticContact CD2-NE2 3.8Å; F47-H270 AromaticContact CE1-CD2 3.53Å; F47-H270 AromaticContact CE1-NE2 3.37Å; F47-H270 WeakPolarHBondContact CE1-NE2 3.33Å; F47-H270 AromaticContact CE2-CD2 3.25Å; F47-H270 WeakPolarHBondContact CE2-CD2 3.15Å; F47-H270 AromaticContact CE2-NE2 3.58Å; F47-H270 AromaticContact CG-NE2 3.78Å; F47-H270 AromaticContact CZ-CD2 3.03Å; F47-H270 WeakPolarHBondContact CZ-CD2 3.43Å; F47-H270 AromaticContact CZ-CG 3.86Å; F47-H270 AromaticContact CZ-NE2 3.39Å; F47-H270 WeakPolarHBondContact CZ-NE2 3.39Å
48A36.1Very low61Low82 Ų8260.8 Ų60.868%0.67837%0.367SS*.  trans-84.8-0.9168.300000112.1A45 I50A45-A48 WeakPolarHBondContact O-CB 3.32Å; A45-A48 PolarHBondContact O-N 3.49Å; A48-I50 VanDerWaalsContact C-N 3.34Å; A48-I50 PolarHBondContact O-N 2.63Å
49Q40.2Very low61.5Low87 Ų8759.5 Ų59.541%0.40736%0.361SS..SBendtrans-60.5102.1153-88.8-169.719.200107.8A45 T53A45-Q49 PolarHBondContact O-N 3.01Å; Q49-T53 WeakPolarHBondContact CA-OG1 3.43Å; Q49-T53 VanDerWaalsContact CB-OG1 3.25Å; Q49-T53 WeakPolarHBondContact CB-OG1 3.5Å
50I32.5Very low61.6Low119 Ų11956.9 Ų56.961%0.6135%0.345SS*.  trans-30.8133.9-176.7-54.4168000110.9A48 G52 T53A48-I50 VanDerWaalsContact C-N 3.34Å; A48-I50 PolarHBondContact O-N 2.63Å; I50-G52 CarbonylContact O-C 3.35Å; I50-G52 PolarHBondContact O-N 2.92Å; I50-T53 HydrophobicContact CB-CG2 4.16Å; I50-T53 PolarHBondContact N-OG1 2.93Å; I50-T53 PolarHBondContact O-N 3.18Å; I50-T53 PolarHBondContact O-OG1 3.42Å; I50-T53 VanDerWaalsContact O-OG1 3.06Å
51P33Very low61.8Low116 Ų11656.3 Ų56.375%0.75334%0.341SS*.THydrogen-bonded Turntrans-47.9106.7169.5-27.435.1000110.5
52G42Very low62.1Low57 Ų5761 Ų6159%0.58836%0.361SS*.THydrogen-bonded Turntrans116.9-7.2-169.800000117.1I50I50-G52 CarbonylContact O-C 3.35Å; I50-G52 PolarHBondContact O-N 2.92Å
53T56.1Low62.5Low42 Ų4261.9 Ų61.926%0.25836%0.362SS..  trans-95.7106.1171.254.20000111.3Q49 I50 Y228Q49-T53 WeakPolarHBondContact CA-OG1 3.43Å; Q49-T53 VanDerWaalsContact CB-OG1 3.25Å; Q49-T53 WeakPolarHBondContact CB-OG1 3.5Å; I50-T53 HydrophobicContact CB-CG2 4.16Å; I50-T53 PolarHBondContact N-OG1 2.93Å; I50-T53 PolarHBondContact O-N 3.18Å; I50-T53 PolarHBondContact O-OG1 3.42Å; I50-T53 VanDerWaalsContact O-OG1 3.06Å; T53-Y228 PolarHBondContact O-OH 3.01Å
54F71.5Confident63.4Low8 Ų861.9 Ų61.94%0.03536%0.361CS..  trans-91.8144.5176.9-175.6-87.3000110.2T56 G197 N198 M202 T225 Y228 V229F54-T56 PolarHBondContact O-N 3.21Å; F54-T56 VanDerWaalsContact O-N 3.11Å; F54-G197 VanDerWaalsContact CE2-CA 3.47Å; F54-N198 HydrophobicContact CB-CB 4.46Å; F54-M202 HydrophobicContact CD2-CE 4.09Å; F54-M202 HydrophobicContact CE2-CE 4.5Å; F54-M202 HydrophobicContact CE2-SD 4.46Å; F54-T225 HydrophobicContact CE1-CG2 3.5Å; F54-T225 HydrophobicContact CZ-CG2 3.54Å; F54-Y228 AromaticContact CD2-CD1 3.45Å; F54-Y228 HydrophobicContact CD2-CD1 3.45Å; F54-Y228 VanDerWaalsContact CD2-CD1 3.45Å; F54-Y228 AromaticContact CD2-CE1 3.47Å; F54-Y228 HydrophobicContact CD2-CE1 3.47Å; F54-Y228 VanDerWaalsContact CD2-CE1 3.47Å; F54-Y228 HydrophobicContact CD2-CG 4.34Å; F54-Y228 AromaticContact CE2-CD1 3.43Å; F54-Y228 HydrophobicContact CE2-CD1 3.43Å; F54-Y228 VanDerWaalsContact CE2-CD1 3.43Å; F54-Y228 AromaticContact CE2-CE1 3.96Å; F54-Y228 HydrophobicContact CE2-CE1 3.96Å; F54-Y228 HydrophobicContact CE2-CG 4.21Å; F54-Y228 HydrophobicContact CG-CD1 4.46Å; F54-Y228 HydrophobicContact CG-CE1 4.37Å; F54-Y228 HydrophobicContact CZ-CD1 4.45Å; F54-V229 HydrophobicContact CE2-CG2 3.53Å; F54-V229 HydrophobicContact CZ-CG2 3.63Å
55P72.8Confident64.9Low22 Ų2257 Ų5714%0.14335%0.35CS..  trans-69.6110.5-174.426.6-35.4000112.2S57 N194 Y228P55-S57 PolarHBondContact O-N 3.21Å; P55-S57 VanDerWaalsContact O-N 3.15Å; P55-N194 PolarHBondContact O-OD1 2.94Å; P55-Y228 VanDerWaalsContact CD-CD2 3.43Å; P55-Y228 HydrophobicContact CG-CD2 3.68Å; P55-Y228 HydrophobicContact CG-CE2 4.28Å; P55-Y228 HydrophobicContact CG-CG 3.91Å
56T81Confident66.6Low40 Ų4055 Ų5525%0.24533%0.329CS..  trans-58.5113.1171.5-70.20000111.1F54 E118 I121 M124F54-T56 PolarHBondContact O-N 3.21Å; F54-T56 VanDerWaalsContact O-N 3.11Å; T56-E118 WeakPolarHBondContact CA-OE2 3.49Å; T56-E118 VanDerWaalsContact CB-OE2 3.31Å; T56-E118 WeakPolarHBondContact CB-OE2 3.07Å; T56-E118 HydrophobicContact CG2-CB 4.4Å; T56-E118 VanDerWaalsContact CG2-OE2 3.31Å; T56-E118 WeakPolarHBondContact CG2-OE2 3.35Å; T56-E118 WeakPolarHBondContact OG1-CG 3.27Å; T56-E118 PolarHBondContact OG1-OE2 2.65Å; T56-I121 HydrophobicContact CG2-CD1 4.21Å; T56-I121 HydrophobicContact CG2-CG1 3.59Å; T56-M124 HydrophobicContact CG2-CE 4.07Å
57S86Confident68.5Low14 Ų1456.8 Ų56.810%0.09834%0.342CS..  trans-117.4144.4166.570.70000112.6P55 R161 L190 N194 T225P55-S57 PolarHBondContact O-N 3.21Å; P55-S57 VanDerWaalsContact O-N 3.15Å; S57-R161 PolarHBondContact O-NH1 3.12Å; S57-R161 VanDerWaalsContact O-NH1 3.15Å; S57-R161 PolarHBondContact O-NH2 2.7Å; S57-L190 WeakPolarHBondContact OG-CD1 3.33Å; S57-N194 PolarHBondContact N-OD1 2.93Å; S57-N194 PolarHBondContact O-ND2 2.6Å; S57-N194 VanDerWaalsContact O-ND2 3.16Å; S57-N194 PolarHBondContact OG-ND2 2.66Å; S57-N194 PolarHBondContact OG-OD1 2.99Å; S57-T225 WeakPolarHBondContact CB-OG1 3.35Å; S57-T225 PolarHBondContact OG-OG1 3.14Å
58I85.7Confident70.5Confident23 Ų2356.3 Ų56.312%0.11834%0.341CS..  trans-141.3166.2174.760.3167.8000109.2I121 M124 T125 Y158I58-I121 HydrophobicContact CG2-CD1 4.21Å; I58-I121 HydrophobicContact CG2-CG1 4.01Å; I58-I121 HydrophobicContact CG2-CG2 4.5Å; I58-M124 HydrophobicContact CD1-CB 3.67Å; I58-M124 HydrophobicContact CD1-CE 3.92Å; I58-M124 HydrophobicContact CD1-SD 4.21Å; I58-M124 HydrophobicContact CG1-CE 4.02Å; I58-M124 HydrophobicContact CG1-SD 4.34Å; I58-T125 VanDerWaalsContact CD1-OG1 3.25Å; I58-T125 WeakPolarHBondContact CD1-OG1 3.39Å; I58-Y158 HydrophobicContact CB-CE2 3.99Å; I58-Y158 HydrophobicContact CG2-CD2 4.47Å; I58-Y158 HydrophobicContact CG2-CE1 4.15Å; I58-Y158 HydrophobicContact CG2-CE2 4.11Å
59V86.5Confident72.9Confident8 Ų857.4 Ų57.45%0.04834%0.335CS..  trans-107.9134.9164.5173.70000106.7E63 M64 Y158 L187 L190 L219V59-E63 HydrophobicContact CG1-CB 3.48Å; V59-E63 VanDerWaalsContact CG1-CB 3.48Å; V59-M64 HydrophobicContact CB-CE 4.09Å; V59-M64 HydrophobicContact CG1-CG 4.06Å; V59-Y158 PolarHBondContact N-OH 3.23Å; V59-Y158 PolarHBondContact O-OH 2.85Å; V59-L187 HydrophobicContact CB-CD2 3.9Å; V59-L187 HydrophobicContact CG1-CD2 3.91Å; V59-L187 HydrophobicContact CG2-CD2 3.72Å; V59-L190 HydrophobicContact CG2-CD2 4.16Å; V59-L219 HydrophobicContact CG2-CD2 4.32Å
60S84.1Confident75.2Confident43 Ų4356.5 Ų56.530%0.30133%0.333SS..  trans-69.4159.5-175.168.10000112.3H62 E63 M64S60-H62 PolarHBondContact O-N 2.88Å; S60-E63 VanDerWaalsContact CB-OE2 3.29Å; S60-E63 WeakPolarHBondContact CB-OE2 3.36Å; S60-E63 PolarHBondContact N-OE2 3.25Å; S60-E63 PolarHBondContact O-N 3.19Å; S60-E63 VanDerWaalsContact OG-CD 3.24Å; S60-E63 VanDerWaalsContact OG-CG 3.25Å; S60-E63 WeakPolarHBondContact OG-CG 3.44Å; S60-E63 PolarHBondContact OG-N 3.23Å; S60-E63 PolarHBondContact OG-OE2 3.47Å; S60-M64 WeakPolarHBondContact O-CG 3.42Å; S60-M64 PolarHBondContact O-N 3.3Å
61L86.1Confident77.8Confident15 Ų1551.1 Ų51.18%0.07931%0.305CS..THydrogen-bonded Turntrans-58.6-37.8176.7-65.2178.9000111.9M64 G65 F66 I71 T125 W129 L155L61-M64 CarbonylContact O-C 3.55Å; L61-M64 PolarHBondContact O-N 3.48Å; L61-G65 PolarHBondContact O-N 3.39Å; L61-F66 HydrophobicContact CB-CB 4.15Å; L61-F66 HydrophobicContact CB-CD2 4.13Å; L61-F66 HydrophobicContact CB-CG 4.33Å; L61-F66 HydrophobicContact CD2-CD2 4.04Å; L61-F66 HydrophobicContact CD2-CE2 4.12Å; L61-F66 WeakPolarHBondContact O-CB 3.28Å; L61-F66 WeakPolarHBondContact O-CD2 3.32Å; L61-F66 PolarHBondContact O-N 3.02Å; L61-I71 HydrophobicContact CB-CD1 4.39Å; L61-I71 HydrophobicContact CD1-CD1 4.42Å; L61-I71 HydrophobicContact CD1-CG1 4.41Å; L61-T125 HydrophobicContact CD1-CG2 4.35Å; L61-T125 HydrophobicContact CD2-CG2 4.33Å; L61-T125 HydrophobicContact CG-CG2 4.16Å; L61-W129 HydrophobicContact CD1-CH2 4.11Å; L61-W129 HydrophobicContact CD1-CZ3 4.17Å; L61-L155 HydrophobicContact CD2-CD1 4.21Å; L61-L155 HydrophobicContact CD2-CD2 3.55Å
62H82.4Confident80.4Confident117 Ų11750.4 Ų50.454%0.54229%0.29SS..THydrogen-bonded Turntrans-67.9-39.2178.2-64.1-50.2000112.7S60 M64 G65 F66S60-H62 PolarHBondContact O-N 2.88Å; H62-M64 VanDerWaalsContact C-N 3.29Å; H62-M64 PolarHBondContact O-N 3.15Å; H62-G65 WeakPolarHBondContact O-CA 3.19Å; H62-G65 PolarHBondContact O-N 3.19Å; H62-F66 PolarHBondContact ND1-O 3.03Å; H62-F66 VanDerWaalsContact ND1-O 3.1Å
63E80.3Confident82.6Confident138 Ų13849.8 Ų49.865%0.64528%0.277SS*.THydrogen-bonded Turntrans-68.1-28.5173.1-69.4163.4134.600112.5V59 S60 G65V59-E63 HydrophobicContact CG1-CB 3.48Å; V59-E63 VanDerWaalsContact CG1-CB 3.48Å; S60-E63 VanDerWaalsContact CB-OE2 3.29Å; S60-E63 WeakPolarHBondContact CB-OE2 3.36Å; S60-E63 PolarHBondContact N-OE2 3.25Å; S60-E63 PolarHBondContact O-N 3.19Å; S60-E63 VanDerWaalsContact OG-CD 3.24Å; S60-E63 VanDerWaalsContact OG-CG 3.25Å; S60-E63 WeakPolarHBondContact OG-CG 3.44Å; S60-E63 PolarHBondContact OG-N 3.23Å; S60-E63 PolarHBondContact OG-OE2 3.47Å; E63-G65 PolarHBondContact O-N 3.36Å
64M82.1Confident84.1Confident23 Ų2347.9 Ų47.911%0.11327%0.266CS..THydrogen-bonded Turntrans-73.9-0.8167.8-66.2-168.3-177.200113.7V59 S60 L61 H62 F66 L151 T154 L155 Y158 L187V59-M64 HydrophobicContact CB-CE 4.09Å; V59-M64 HydrophobicContact CG1-CG 4.06Å; S60-M64 WeakPolarHBondContact O-CG 3.42Å; S60-M64 PolarHBondContact O-N 3.3Å; L61-M64 CarbonylContact O-C 3.55Å; L61-M64 PolarHBondContact O-N 3.48Å; H62-M64 VanDerWaalsContact C-N 3.29Å; H62-M64 PolarHBondContact O-N 3.15Å; M64-F66 HydrophobicContact CB-CD2 4.07Å; M64-F66 HydrophobicContact CB-CE2 4.27Å; M64-L151 HydrophobicContact CB-CD1 4.4Å; M64-L151 HydrophobicContact SD-CD1 3.78Å; M64-T154 HydrophobicContact CE-CG2 4.27Å; M64-L155 HydrophobicContact SD-CD2 4.14Å; M64-Y158 HydrophobicContact CE-CE2 3.85Å; M64-Y158 WeakPolarHBondContact CE-OH 3.36Å; M64-L187 HydrophobicContact CG-CD1 4.22Å
65G82.5Confident84.9Confident57 Ų5748.4 Ų48.459%0.58827%0.269SS*.THydrogen-bonded Turntrans89.112.6176.400000115.7L61 H62 E63 T67L61-G65 PolarHBondContact O-N 3.39Å; H62-G65 WeakPolarHBondContact O-CA 3.19Å; H62-G65 PolarHBondContact O-N 3.19Å; E63-G65 PolarHBondContact O-N 3.36Å; G65-T67 PolarHBondContact O-N 3.4Å
66F85Confident85.5Confident19 Ų1954 Ų548%0.08329%0.293CS..  trans-72.7123.5175.2-75.7-92.5000111.8L61 H62 M64 D70 I71 L74 L151 M152 L155L61-F66 HydrophobicContact CB-CB 4.15Å; L61-F66 HydrophobicContact CB-CD2 4.13Å; L61-F66 HydrophobicContact CB-CG 4.33Å; L61-F66 HydrophobicContact CD2-CD2 4.04Å; L61-F66 HydrophobicContact CD2-CE2 4.12Å; L61-F66 WeakPolarHBondContact O-CB 3.28Å; L61-F66 WeakPolarHBondContact O-CD2 3.32Å; L61-F66 PolarHBondContact O-N 3.02Å; H62-F66 PolarHBondContact ND1-O 3.03Å; H62-F66 VanDerWaalsContact ND1-O 3.1Å; M64-F66 HydrophobicContact CB-CD2 4.07Å; M64-F66 HydrophobicContact CB-CE2 4.27Å; F66-D70 HydrophobicContact CD1-CB 3.72Å; F66-D70 HydrophobicContact CE1-CB 4.5Å; F66-I71 HydrophobicContact CB-CD1 4.3Å; F66-I71 HydrophobicContact CB-CG1 3.97Å; F66-L74 HydrophobicContact CD1-CD1 4.16Å; F66-L74 HydrophobicContact CE1-CD1 3.52Å; F66-L74 HydrophobicContact CZ-CD1 4.19Å; F66-L151 HydrophobicContact CE2-CD1 4.18Å; F66-L151 HydrophobicContact CE2-CD2 3.72Å; F66-L151 HydrophobicContact CE2-CG 4.11Å; F66-L151 HydrophobicContact CZ-CD2 3.66Å; F66-L151 HydrophobicContact CZ-CG 4.13Å; F66-M152 HydrophobicContact CE1-CE 4.18Å; F66-M152 HydrophobicContact CZ-CE 3.79Å; F66-L155 HydrophobicContact CE2-CD1 4Å; F66-L155 HydrophobicContact CZ-CD1 3.74Å
67T88.4Confident85.7Confident76 Ų7653.5 Ų53.547%0.46629%0.289SS..  trans-76.1161.7166.372.20000110.7G65 D69 D70 I71G65-T67 PolarHBondContact O-N 3.4Å; T67-D69 PolarHBondContact O-N 3.32Å; T67-D69 PolarHBondContact OG1-N 3.37Å; T67-D70 WeakPolarHBondContact CB-OD2 3.38Å; T67-D70 WeakPolarHBondContact CG2-OD2 3.21Å; T67-D70 PolarHBondContact N-OD2 3.26Å; T67-D70 WeakPolarHBondContact O-CB 3.34Å; T67-D70 PolarHBondContact O-N 3.42Å; T67-D70 VanDerWaalsContact O-N 3.12Å; T67-D70 VanDerWaalsContact OG1-CG 3.27Å; T67-D70 PolarHBondContact OG1-N 2.95Å; T67-D70 PolarHBondContact OG1-OD2 2.97Å; T67-I71 WeakPolarHBondContact O-CG1 3.32Å; T67-I71 PolarHBondContact O-N 3.29Å; T67-I71 VanDerWaalsContact O-N 3.1Å
68Q85.8Confident84.9Confident76 Ų7653.1 Ų53.136%0.35529%0.287SS..Hα-helixtrans-59.4-29.4176.4-162.466.214.500112.4K72Q68-K72 VanDerWaalsContact O-CG 3.29Å; Q68-K72 WeakPolarHBondContact O-CG 3.4Å; Q68-K72 PolarHBondContact O-N 2.84Å
69D87.3Confident84.2Confident106 Ų10658.4 Ų58.457%0.56731%0.312SS*.Hα-helixtrans-78.9-31.5178.6-65.4-29.1000112.2T67 I71 K72 S73T67-D69 PolarHBondContact O-N 3.32Å; T67-D69 PolarHBondContact OG1-N 3.37Å; D69-I71 VanDerWaalsContact C-N 3.34Å; D69-K72 PolarHBondContact O-N 3.31Å; D69-K72 IonicContact OD1-NZ 2.77Å; D69-K72 PolarHBondContact OD1-NZ 3.02Å; D69-S73 WeakPolarHBondContact O-CB 3.12Å; D69-S73 PolarHBondContact O-N 2.94Å
70D88.1Confident83Confident68 Ų6862.5 Ų62.536%0.36436%0.355SS..Hα-helixtrans-62-43.8168.6-63.6-60.9000111.1F66 T67 S73 L74F66-D70 HydrophobicContact CD1-CB 3.72Å; F66-D70 HydrophobicContact CE1-CB 4.5Å; T67-D70 WeakPolarHBondContact CB-OD2 3.38Å; T67-D70 WeakPolarHBondContact CG2-OD2 3.21Å; T67-D70 PolarHBondContact N-OD2 3.26Å; T67-D70 WeakPolarHBondContact O-CB 3.34Å; T67-D70 PolarHBondContact O-N 3.42Å; T67-D70 VanDerWaalsContact O-N 3.12Å; T67-D70 VanDerWaalsContact OG1-CG 3.27Å; T67-D70 PolarHBondContact OG1-N 2.95Å; T67-D70 PolarHBondContact OG1-OD2 2.97Å; D70-S73 WeakPolarHBondContact O-CB 3.48Å; D70-S73 PolarHBondContact O-N 3.07Å; D70-S73 PolarHBondContact O-OG 3.02Å; D70-L74 PolarHBondContact O-N 3.45Å
71I86.3Confident81.8Confident5 Ų562.6 Ų62.63%0.02636%0.363CS..Hα-helixtrans-61.8-50.7177.4-62.9170.9000110.3L61 F66 T67 D69 S73 L74 V75 E128 W129L61-I71 HydrophobicContact CB-CD1 4.39Å; L61-I71 HydrophobicContact CD1-CD1 4.42Å; L61-I71 HydrophobicContact CD1-CG1 4.41Å; F66-I71 HydrophobicContact CB-CD1 4.3Å; F66-I71 HydrophobicContact CB-CG1 3.97Å; T67-I71 WeakPolarHBondContact O-CG1 3.32Å; T67-I71 PolarHBondContact O-N 3.29Å; T67-I71 VanDerWaalsContact O-N 3.1Å; D69-I71 VanDerWaalsContact C-N 3.34Å; I71-S73 VanDerWaalsContact C-N 3.25Å; I71-S73 PolarHBondContact O-N 2.93Å; I71-L74 WeakPolarHBondContact O-CB 3.18Å; I71-L74 PolarHBondContact O-N 3.41Å; I71-V75 HydrophobicContact CG2-CG2 4.42Å; I71-V75 WeakPolarHBondContact O-CG2 3.4Å; I71-V75 PolarHBondContact O-N 3.46Å; I71-E128 HydrophobicContact CG2-CB 4.07Å; I71-E128 HydrophobicContact CG2-CG 3.92Å; I71-W129 HydrophobicContact CG2-CH2 4.21Å; I71-W129 HydrophobicContact CG2-CZ3 4.48Å
72K88.7Confident80.7Confident101 Ų10167.4 Ų67.444%0.43939%0.393SS..Hα-helixtrans-54.6-41.2173.4-71169.1-163.91560112Q68 D69 L74 V75 Q76Q68-K72 VanDerWaalsContact O-CG 3.29Å; Q68-K72 WeakPolarHBondContact O-CG 3.4Å; Q68-K72 PolarHBondContact O-N 2.84Å; D69-K72 PolarHBondContact O-N 3.31Å; D69-K72 IonicContact OD1-NZ 2.77Å; D69-K72 PolarHBondContact OD1-NZ 3.02Å; K72-L74 VanDerWaalsContact C-N 3.31Å; K72-L74 PolarHBondContact O-N 3.09Å; K72-V75 PolarHBondContact O-N 3.44Å; K72-Q76 WeakPolarHBondContact O-CG 3.45Å; K72-Q76 PolarHBondContact O-N 3.38Å
73S88.3Confident80.1Confident44 Ų4469.5 Ų69.531%0.30840%0.396SS..Hα-helixtrans-64.8-33.9178.388.10000112.7D69 D70 I71 L77D69-S73 WeakPolarHBondContact O-CB 3.12Å; D69-S73 PolarHBondContact O-N 2.94Å; D70-S73 WeakPolarHBondContact O-CB 3.48Å; D70-S73 PolarHBondContact O-N 3.07Å; D70-S73 PolarHBondContact O-OG 3.02Å; I71-S73 VanDerWaalsContact C-N 3.25Å; I71-S73 PolarHBondContact O-N 2.93Å; S73-L77 WeakPolarHBondContact O-CG 3.29Å
74L87.8Confident80Confident3 Ų369.1 Ų69.12%0.01639%0.389CS..Hα-helixtrans-72.9-44.7173.9-74.4177.3000111.5F66 D70 I71 K72 Q76 L77 G78 W129 S138 K142 M152F66-L74 HydrophobicContact CD1-CD1 4.16Å; F66-L74 HydrophobicContact CE1-CD1 3.52Å; F66-L74 HydrophobicContact CZ-CD1 4.19Å; D70-L74 PolarHBondContact O-N 3.45Å; I71-L74 WeakPolarHBondContact O-CB 3.18Å; I71-L74 PolarHBondContact O-N 3.41Å; K72-L74 VanDerWaalsContact C-N 3.31Å; K72-L74 PolarHBondContact O-N 3.09Å; L74-Q76 VanDerWaalsContact C-N 3.28Å; L74-Q76 PolarHBondContact O-N 3.42Å; L74-L77 HydrophobicContact CD2-CD1 4.41Å; L74-L77 WeakPolarHBondContact O-CB 3.38Å; L74-L77 PolarHBondContact O-N 3.26Å; L74-G78 PolarHBondContact O-N 3.07Å; L74-W129 HydrophobicContact CB-CZ2 3.97Å; L74-S138 VanDerWaalsContact O-CB 3.31Å; L74-S138 WeakPolarHBondContact O-CB 3.44Å; L74-S138 PolarHBondContact O-OG 2.69Å; L74-K142 HydrophobicContact CD2-CB 4.39Å; L74-K142 HydrophobicContact CD2-CD 4.14Å; L74-K142 HydrophobicContact CD2-CG 4.27Å; L74-M152 HydrophobicContact CD1-CE 4.42Å; L74-M152 HydrophobicContact CD2-CE 4.32Å; L74-M152 HydrophobicContact CD2-SD 4.31Å
75V87.6Confident80.2Confident18 Ų1871.1 Ų71.111%0.10940%0.402CS..Hα-helixtrans-55.9-43.6176.9172.90000111I71 K72 L77 G78 Q79 E128 W129I71-V75 HydrophobicContact CG2-CG2 4.42Å; I71-V75 WeakPolarHBondContact O-CG2 3.4Å; I71-V75 PolarHBondContact O-N 3.46Å; K72-V75 PolarHBondContact O-N 3.44Å; V75-L77 PolarHBondContact O-N 2.93Å; V75-G78 PolarHBondContact O-N 3.29Å; V75-Q79 PolarHBondContact O-N 2.94Å; V75-E128 HydrophobicContact CG2-CB 4.05Å; V75-E128 WeakPolarHBondContact CG2-O 3.32Å; V75-W129 HydrophobicContact CG2-CD2 3.92Å; V75-W129 HydrophobicContact CG2-CE3 4.41Å; V75-W129 HydrophobicContact CG2-CG 4.35Å; V75-W129 HydrophobicContact CG2-CH2 4.35Å; V75-W129 HydrophobicContact CG2-CZ2 3.84Å
76Q86.6Confident80.6Confident139 Ų13968.4 Ų68.465%0.6537%0.374SS*.Hα-helixtrans-61.1-26.6175.2-72.8175.77.800113.9K72 L74 G78K72-Q76 WeakPolarHBondContact O-CG 3.45Å; K72-Q76 PolarHBondContact O-N 3.38Å; L74-Q76 VanDerWaalsContact C-N 3.28Å; L74-Q76 PolarHBondContact O-N 3.42Å; Q76-G78 VanDerWaalsContact C-N 3.32Å
77L83.5Confident80.9Confident30 Ų3071.4 Ų71.416%0.15739%0.385CS..Hα-helixtrans-77.7-15.1175.9-68.5170.7000113.4S73 L74 V75 N141 K142S73-L77 WeakPolarHBondContact O-CG 3.29Å; L74-L77 HydrophobicContact CD2-CD1 4.41Å; L74-L77 WeakPolarHBondContact O-CB 3.38Å; L74-L77 PolarHBondContact O-N 3.26Å; V75-L77 PolarHBondContact O-N 2.93Å; L77-N141 HydrophobicContact CB-CB 4.49Å; L77-N141 PolarHBondContact O-ND2 2.92Å; L77-K142 HydrophobicContact CD1-CB 4.4Å; L77-K142 HydrophobicContact CD1-CD 3.81Å
78G71Confident81.1Confident6 Ų667.8 Ų67.86%0.06236%0.363CS..Hα-helixtrans-88.7-26.217400000114L74 V75 Q76 S138L74-G78 PolarHBondContact O-N 3.07Å; V75-G78 PolarHBondContact O-N 3.29Å; Q76-G78 VanDerWaalsContact C-N 3.32Å; G78-S138 WeakPolarHBondContact CA-OG 3.31Å; G78-S138 PolarHBondContact N-OG 2.79Å
79Q70.8Confident81.3Confident134 Ų13467 Ų6763%0.62636%0.361SS*.THydrogen-bonded Turntrans-77.1134.8-173.7-67.6177.1-1.200112.6V75 G81V75-Q79 PolarHBondContact O-N 2.94Å; Q79-G81 VanDerWaalsContact C-N 3.34Å; Q79-G81 PolarHBondContact O-N 2.84Å
80G60.3Low81.4Confident94 Ų9470.4 Ų70.497%0.96937%0.366SS*.THydrogen-bonded Turntrans76.83.9169.700000117.3
81G59.7Low81.5Confident45 Ų4569.7 Ų69.746%0.46436%0.358SS..SBendtrans-100.3164.7179.500000114.7Q79 R83Q79-G81 VanDerWaalsContact C-N 3.34Å; Q79-G81 PolarHBondContact O-N 2.84Å; G81-R83 PolarHBondContact O-N 3.25Å; G81-R83 VanDerWaalsContact O-N 3.14Å
82V63.3Low81.7Confident116 Ų11671.3 Ų71.370%0.70337%0.367SS*.  trans-59.6116.8164.8177.50000108.3R84V82-R84 WeakPolarHBondContact O-CG 3.24Å; V82-R84 PolarHBondContact O-N 3.1Å; V82-R84 VanDerWaalsContact O-N 3.13Å
83R69Low81.6Confident161 Ų16171.9 Ų71.961%0.60838%0.38SS*.  trans-57115.8177.9-75.4-179.9167164.4-4.2110.1G81 D134G81-R83 PolarHBondContact O-N 3.25Å; G81-R83 VanDerWaalsContact O-N 3.14Å; R83-D134 IonicContact CZ-OD1 3.22Å; R83-D134 IonicContact NE-OD1 2.82Å; R83-D134 PolarHBondContact NE-OD1 3.17Å; R83-D134 VanDerWaalsContact NH2-CG 3.33Å; R83-D134 IonicContact NH2-OD1 2.78Å; R83-D134 PolarHBondContact NH2-OD1 3.2Å; R83-D134 IonicContact NH2-OD2 3.08Å; R83-D134 PolarHBondContact NH2-OD2 2.85Å; R83-D134 VanDerWaalsContact NH2-OD2 3.08Å
84R77.5Confident81.4Confident131 Ų13170.6 Ų70.649%0.49437%0.37SS..  trans-121.4132.8179.3-72.6172.7-175.1-134.2-3.7108.8V82 A137 A140V82-R84 WeakPolarHBondContact O-CG 3.24Å; V82-R84 PolarHBondContact O-N 3.1Å; V82-R84 VanDerWaalsContact O-N 3.13Å; R84-A137 WeakPolarHBondContact O-CA 3.48Å; R84-A140 HydrophobicContact CB-CB 4.16Å; R84-A140 WeakPolarHBondContact O-CB 3.46Å
85T87.2Confident81.1Confident64 Ų6475 Ų7539%0.39340%0.398SS..  trans-78.9145171.353.10000110.6R87 Y159 W160T85-R87 PolarHBondContact O-N 2.96Å; T85-Y159 HydrophobicContact CG2-CE1 4.26Å; T85-Y159 WeakPolarHBondContact CG2-OH 3.37Å; T85-W160 HydrophobicContact CG2-CH2 4.32Å
86P90.5Very high80.7Confident0 Ų079.5 Ų79.50%042%0.421CS..  trans-79.170.1-17933.4-35000110.8C88 I139 A140 L143 A156 Y159 W160P86-C88 PolarHBondContact O-N 3.33Å; P86-C88 VanDerWaalsContact O-N 3.12Å; P86-C88 PolarHBondContact O-SG 3.17Å; P86-I139 HydrophobicContact CB-CG2 4.28Å; P86-A140 HydrophobicContact CB-CB 4.14Å; P86-L143 HydrophobicContact CB-CD1 4.36Å; P86-A156 HydrophobicContact CB-CB 3.94Å; P86-A156 HydrophobicContact CG-CB 4.09Å; P86-Y159 HydrophobicContact CG-CD1 3.65Å; P86-Y159 HydrophobicContact CG-CE1 4.25Å; P86-Y159 HydrophobicContact CG-CG 4.18Å; P86-W160 PolarHBondContact O-NE1 2.91Å
87R91.8Very high80.2Confident82 Ų8272.9 Ų72.931%0.30939%0.39SS..  trans-72101.3172.5-66.2-160.872.3-161.4-7.3109.7T85 D89 R90 Y91 W160 E168T85-R87 PolarHBondContact O-N 2.96Å; R87-D89 VanDerWaalsContact C-N 3.28Å; R87-D89 WeakPolarHBondContact CB-OD1 3.42Å; R87-D89 PolarHBondContact O-N 2.94Å; R87-R90 HydrophobicContact CB-CG 4.43Å; R87-R90 PolarHBondContact O-N 3.13Å; R87-Y91 WeakPolarHBondContact O-CD2 3.33Å; R87-Y91 WeakPolarHBondContact O-CE2 3.49Å; R87-W160 HydrophobicContact CG-CH2 4.44Å; R87-W160 HydrophobicContact CG-CZ2 3.96Å; R87-E168 IonicContact CZ-OE1 3.12Å; R87-E168 IonicContact NE-OE1 2.76Å; R87-E168 PolarHBondContact NE-OE1 2.98Å; R87-E168 IonicContact NE-OE2 4Å; R87-E168 IonicContact NH2-OE1 2.7Å; R87-E168 PolarHBondContact NH2-OE1 3.38Å
88C92.3Very high79.9Confident0 Ų073.4 Ų73.40%040%0.395CS..G310 helixtrans-69.6-24.3-163.8-67.80000113.8P86 R90 Y91 Y153 C172 R175P86-C88 PolarHBondContact O-N 3.33Å; P86-C88 VanDerWaalsContact O-N 3.12Å; P86-C88 PolarHBondContact O-SG 3.17Å; C88-R90 VanDerWaalsContact C-N 3.32Å; C88-R90 PolarHBondContact O-N 3.32Å; C88-Y91 PolarHBondContact O-N 2.94Å; C88-Y153 HydrophobicContact CB-CD1 3.85Å; C88-Y153 HydrophobicContact CB-CE1 3.88Å; C88-C172 HydrophobicContact CB-CB 3.86Å; C88-C172 WeakPolarHBondContact CB-SG 3.09Å; C88-C172 VanDerWaalsContact SG-CA 3.55Å; C88-C172 WeakPolarHBondContact SG-CB 3.4Å; C88-C172 CovalentContact SG-SG 2.03Å; C88-C172 PolarHBondContact SG-SG 3.43Å; C88-R175 WeakPolarHBondContact O-CD 3.35Å; C88-R175 PolarHBondContact O-NE 3.26Å; C88-R175 VanDerWaalsContact O-NE 3.1Å
89D89.5Confident80.2Confident59 Ų5973.4 Ų73.432%0.31639%0.394SS..G310 helixtrans-58-38.2173.767.9-35.6000114R87 Y91 M92R87-D89 VanDerWaalsContact C-N 3.28Å; R87-D89 WeakPolarHBondContact CB-OD1 3.42Å; R87-D89 PolarHBondContact O-N 2.94Å; D89-Y91 VanDerWaalsContact C-N 3.29Å; D89-Y91 PolarHBondContact O-N 3.41Å; D89-M92 CarbonylContact O-C 3.51Å
90R90.7Very high81Confident179 Ų17967 Ų6768%0.67536%0.364SS*.G310 helixtrans-70.5-19.9-176.8-65.7176.7-178.7-169.5-7.5114.5R87 C88R87-R90 HydrophobicContact CB-CG 4.43Å; R87-R90 PolarHBondContact O-N 3.13Å; C88-R90 VanDerWaalsContact C-N 3.32Å; C88-R90 PolarHBondContact O-N 3.32Å
91Y90Very high82.3Confident52 Ų5262.7 Ų62.720%0.20432%0.319CS..THydrogen-bonded Turntrans-94.3-36.2-178.1-57.5-82.8000112.2R87 C88 D89 A140 L143 K144R87-Y91 WeakPolarHBondContact O-CD2 3.33Å; R87-Y91 WeakPolarHBondContact O-CE2 3.49Å; C88-Y91 PolarHBondContact O-N 2.94Å; D89-Y91 VanDerWaalsContact C-N 3.29Å; D89-Y91 PolarHBondContact O-N 3.41Å; Y91-A140 WeakPolarHBondContact CE1-O 3.32Å; Y91-A140 VanDerWaalsContact OH-CA 3.3Å; Y91-A140 WeakPolarHBondContact OH-CA 2.98Å; Y91-A140 WeakPolarHBondContact OH-CB 2.99Å; Y91-A140 PolarHBondContact OH-O 2.91Å; Y91-L143 HydrophobicContact CD1-CB 3.88Å; Y91-L143 HydrophobicContact CD2-CB 4.2Å; Y91-L143 HydrophobicContact CD2-CD1 4.29Å; Y91-L143 HydrophobicContact CE1-CB 3.87Å; Y91-L143 HydrophobicContact CE2-CB 4.21Å; Y91-L143 HydrophobicContact CE2-CD1 4.25Å; Y91-L143 HydrophobicContact CG-CB 4.03Å; Y91-K144 HydrophobicContact CD1-CB 4.5Å; Y91-K144 HydrophobicContact CE1-CB 3.9Å
92M88.9Confident83.6Confident40 Ų4061 Ų6120%0.19730%0.299CS..  trans-147108178.2-177.1176.6176.600109.6D89 L94 Y153 R175 L179D89-M92 CarbonylContact O-C 3.51Å; M92-L94 PolarHBondContact O-N 2.98Å; M92-Y153 WeakPolarHBondContact CB-OH 3.43Å; M92-R175 VanDerWaalsContact O-CZ 3.29Å; M92-R175 PolarHBondContact O-NE 2.98Å; M92-R175 PolarHBondContact O-NH2 3.01Å; M92-L179 HydrophobicContact CE-CD2 4.2Å; M92-L179 HydrophobicContact SD-CD1 3.89Å; M92-L179 HydrophobicContact SD-CD2 4.27Å; M92-L179 HydrophobicContact SD-CG 4.34Å
93P86.8Confident84.4Confident112 Ų11258.5 Ų58.573%0.72728%0.28SS*.  trans-67129.2168.127.8-32.5000109.1
94L85.6Confident85.3Confident18 Ų1850.9 Ų50.99%0.09425%0.251CS..  trans-122.3107.5-178.5-17861.6000109.4M92 A100 R174 R175 H178M92-L94 PolarHBondContact O-N 2.98Å; L94-A100 HydrophobicContact CD2-CB 4.29Å; L94-R174 HydrophobicContact CD2-CB 4.08Å; L94-R174 WeakPolarHBondContact CD2-O 3.44Å; L94-R175 HydrophobicContact CB-CG 4.27Å; L94-R175 HydrophobicContact CD2-CG 4Å; L94-H178 HydrophobicContact CD1-CB 4.2Å; L94-H178 HydrophobicContact CD2-CB 3.91Å
95P81.3Confident85.8Confident94 Ų9450.2 Ų50.261%0.6125%0.253SS*.  trans-66.8177.3169.831.5-36.6000110.8S97P95-S97 PolarHBondContact O-N 3.26Å; P95-S97 VanDerWaalsContact O-N 3.15Å
96I77.9Confident85.8Confident113 Ų11347.1 Ų47.158%0.57924%0.235SC*.  trans-51.2122.8179.6-63.6173.6000110.4D102I96-D102 WeakPolarHBondContact CA-OD2 3.49Å; I96-D102 HydrophobicContact CG2-CB 3.94Å
97S77.6Confident85.9Confident1 Ų147.2 Ų47.21%0.00724%0.235CC..  trans-133.1111.5-173.3166.90000109.1P95 A99 A100 L101 D102 H178P95-S97 PolarHBondContact O-N 3.26Å; P95-S97 VanDerWaalsContact O-N 3.15Å; S97-A99 PolarHBondContact O-N 2.91Å; S97-A100 WeakPolarHBondContact O-CA 3.35Å; S97-A100 WeakPolarHBondContact O-CB 3.43Å; S97-A100 PolarHBondContact O-N 2.97Å; S97-A100 PolarHBondContact OG-N 3.43Å; S97-L101 PolarHBondContact O-N 3.05Å; S97-D102 PolarHBondContact N-OD2 3.03Å; S97-D102 PolarHBondContact O-N 2.98Å; S97-H178 PolarHBondContact OG-ND1 2.96Å
98V77Confident85.6Confident41 Ų4151.6 Ų51.625%0.24825%0.252CS..G310 helixtrans-62.8-33.1177.1-176.50000111.3A100 L101 W842 M963V98-A100 PolarHBondContact O-N 2.89Å; V98-L101 PolarHBondContact O-N 3.22Å; V98-W842 HydrophobicContact CB-CH2 4.33Å; V98-W842 HydrophobicContact CG2-CH2 4.34Å; V98-M963 HydrophobicContact CB-CE 3.43Å; V98-M963 VanDerWaalsContact CB-CE 3.43Å; V98-M963 HydrophobicContact CB-SD 4.34Å; V98-M963 HydrophobicContact CG1-CE 3.62Å; V98-M963 HydrophobicContact CG1-SD 4.18Å; V98-M963 HydrophobicContact CG2-CE 3.61Å; V98-M963 HydrophobicContact CG2-SD 4.06Å
99A77.2Confident85.4Confident6 Ų655.1 Ų55.15%0.0527%0.27CS..G310 helixtrans-65.8-16.7171.700000113.8S97 L101 M841S97-A99 PolarHBondContact O-N 2.91Å; A99-L101 VanDerWaalsContact C-N 3.35Å; A99-M841 HydrophobicContact CB-CB 4.07Å; A99-M841 HydrophobicContact CB-SD 4.11Å
100A85.9Confident85.3Confident0 Ų052.8 Ų52.80%026%0.258CS..G310 helixtrans-93.44.7172.800000112.6L94 S97 V98 V107 R174L94-A100 HydrophobicContact CD2-CB 4.29Å; S97-A100 WeakPolarHBondContact O-CA 3.35Å; S97-A100 WeakPolarHBondContact O-CB 3.43Å; S97-A100 PolarHBondContact O-N 2.97Å; S97-A100 PolarHBondContact OG-N 3.43Å; V98-A100 PolarHBondContact O-N 2.89Å; A100-V107 WeakPolarHBondContact O-CG1 3.5Å; A100-R174 HydrophobicContact CB-CB 3.97Å; A100-R174 HydrophobicContact CB-CG 4.29Å; A100-R174 VanDerWaalsContact CB-O 3.32Å; A100-R174 WeakPolarHBondContact CB-O 3.44Å
101L89.2Confident85.1Confident3 Ų348.5 Ų48.52%0.01626%0.256CS..THydrogen-bonded Turntrans64.826.9-174.7-49.5-178.5000115.5S97 V98 A99 H103 L104 V107 L177 L189 L192 V208 I211 M841S97-L101 PolarHBondContact O-N 3.05Å; V98-L101 PolarHBondContact O-N 3.22Å; A99-L101 VanDerWaalsContact C-N 3.35Å; L101-H103 PolarHBondContact O-N 2.87Å; L101-L104 HydrophobicContact CB-CD1 4.05Å; L101-L104 HydrophobicContact CB-CG 4.3Å; L101-L104 HydrophobicContact CD1-CD1 4.26Å; L101-L104 WeakPolarHBondContact O-CB 3.25Å; L101-L104 PolarHBondContact O-N 3.06Å; L101-V107 HydrophobicContact CB-CG2 4.48Å; L101-L177 HydrophobicContact CD1-CD1 4.48Å; L101-L177 HydrophobicContact CG-CD1 4.47Å; L101-L189 HydrophobicContact CD1-CD2 3.78Å; L101-L192 HydrophobicContact CD1-CD2 4Å; L101-V208 HydrophobicContact CD1-CG2 4Å; L101-I211 HydrophobicContact CD1-CD1 4.23Å; L101-I211 HydrophobicContact CD2-CD1 3.99Å; L101-M841 HydrophobicContact CD2-CE 4.28Å
102D85.6Confident84.7Confident8 Ų848.5 Ų48.54%0.04326%0.259CS..THydrogen-bonded Turntrans-64.86.2178-70.2-23.4000115.6I96 S97 R174I96-D102 WeakPolarHBondContact CA-OD2 3.49Å; I96-D102 HydrophobicContact CG2-CB 3.94Å; S97-D102 PolarHBondContact N-OD2 3.03Å; S97-D102 PolarHBondContact O-N 2.98Å; D102-R174 IonicContact OD1-CZ 3.66Å; D102-R174 IonicContact OD1-NE 3.45Å; D102-R174 PolarHBondContact OD1-NE 3.14Å; D102-R174 IonicContact OD1-NH2 3.27Å; D102-R174 PolarHBondContact OD1-NH2 3.11Å; D102-R174 IonicContact OD2-CZ 3.35Å; D102-R174 IonicContact OD2-NE 3.63Å; D102-R174 IonicContact OD2-NH2 2.9Å; D102-R174 PolarHBondContact OD2-NH2 3.48Å
103H81.1Confident84.5Confident65 Ų6547.1 Ų47.130%0.30125%0.252SS..THydrogen-bonded Turntrans-85.7-22.1167.656.9-90.2000112.3L101 L700L101-H103 PolarHBondContact O-N 2.87Å; H103-L700 PolarHBondContact CD2-O 2.9Å
104L87.9Confident84.1Confident1 Ų144.8 Ų44.81%0.00525%0.249CC..SBendtrans-74.8131.3170.5-57-176.6000108.9L101 S106 V107 R108 K207 V208L101-L104 HydrophobicContact CB-CD1 4.05Å; L101-L104 HydrophobicContact CB-CG 4.3Å; L101-L104 HydrophobicContact CD1-CD1 4.26Å; L101-L104 WeakPolarHBondContact O-CB 3.25Å; L101-L104 PolarHBondContact O-N 3.06Å; L104-S106 VanDerWaalsContact C-N 3.34Å; L104-S106 PolarHBondContact O-N 3.03Å; L104-V107 HydrophobicContact CB-CB 4.12Å; L104-V107 HydrophobicContact CB-CG2 3.81Å; L104-V107 HydrophobicContact CD1-CG2 4.1Å; L104-V107 HydrophobicContact CG-CG2 4.5Å; L104-V107 PolarHBondContact O-N 2.88Å; L104-R108 WeakPolarHBondContact O-CB 3.47Å; L104-R108 PolarHBondContact O-N 2.73Å; L104-K207 HydrophobicContact CD2-CB 4.19Å; L104-K207 HydrophobicContact CD2-CD 3.5Å; L104-K207 VanDerWaalsContact CD2-CD 3.5Å; L104-V208 HydrophobicContact CD1-CG2 3.55Å
105E87.6Confident83.6Confident116 Ų11645.1 Ų45.154%0.54225%0.252SS..Hα-helixtrans-61-46.4-174.6-173.9-170.3-147.700110.9V107 R108 N109 L112 R201 D204E105-V107 PolarHBondContact O-N 3.28Å; E105-R108 PolarHBondContact O-N 3.46Å; E105-R108 VanDerWaalsContact O-N 3.14Å; E105-N109 PolarHBondContact O-N 3.28Å; E105-L112 HydrophobicContact CG-CD1 3.91Å; E105-R201 IonicContact OE2-NH2 2.71Å; E105-R201 PolarHBondContact OE2-NH2 2.99Å; E105-D204 PolarHBondContact N-OD2 3.17Å
106S88.5Confident83.6Confident0 Ų046.5 Ų46.50%025%0.254CS..Hα-helixtrans-64.1-28.7-177.6-46.70000112.1L104 N109 P110 I113 L196 R201 D204L104-S106 VanDerWaalsContact C-N 3.34Å; L104-S106 PolarHBondContact O-N 3.03Å; S106-N109 CarbonylContact O-C 3.52Å; S106-P110 WeakPolarHBondContact O-CA 2.91Å; S106-I113 WeakPolarHBondContact O-CD1 3.39Å; S106-L196 VanDerWaalsContact CB-CD2 3.41Å; S106-R201 WeakPolarHBondContact OG-CB 3.46Å; S106-R201 PolarHBondContact OG-NE 2.94Å; S106-D204 VanDerWaalsContact CB-OD2 3.26Å; S106-D204 WeakPolarHBondContact CB-OD2 3.43Å; S106-D204 PolarHBondContact N-OD2 3.04Å; S106-D204 PolarHBondContact OG-OD2 3.44Å
107V91Very high83.9Confident1 Ų144.2 Ų44.21%0.00625%0.247CC..Hα-helixtrans-79.4-39.2175.8-178.70000111.5A100 L101 L104 E105 P110 V170 R174 L192A100-V107 WeakPolarHBondContact O-CG1 3.5Å; L101-V107 HydrophobicContact CB-CG2 4.48Å; L104-V107 HydrophobicContact CB-CB 4.12Å; L104-V107 HydrophobicContact CB-CG2 3.81Å; L104-V107 HydrophobicContact CD1-CG2 4.1Å; L104-V107 HydrophobicContact CG-CG2 4.5Å; L104-V107 PolarHBondContact O-N 2.88Å; E105-V107 PolarHBondContact O-N 3.28Å; V107-P110 WeakPolarHBondContact O-CG 3.36Å; V107-V170 HydrophobicContact CG1-CG1 4.13Å; V107-R174 HydrophobicContact CG1-CG 3.8Å; V107-L192 HydrophobicContact CG2-CD1 4.26Å; V107-L192 HydrophobicContact CG2-CD2 4.11Å
108R87.3Confident84.4Confident175 Ų17544.6 Ų44.666%0.6625%0.248SC*.Hα-helixtrans-70.6-35.4177.9-176.5178172.2-165.5-4.9112.4L104 E105L104-R108 WeakPolarHBondContact O-CB 3.47Å; L104-R108 PolarHBondContact O-N 2.73Å; E105-R108 PolarHBondContact O-N 3.46Å; E105-R108 VanDerWaalsContact O-N 3.14Å
109N86.7Confident84.7Confident73 Ų7348.6 Ų48.639%0.3927%0.268SS..  trans-124.975.2179.8-164.923000111.8E105 S106 S111 L112E105-N109 PolarHBondContact O-N 3.28Å; S106-N109 CarbonylContact O-C 3.52Å; N109-S111 PolarHBondContact O-N 3.09Å; N109-S111 PolarHBondContact OD1-OG 3.05Å; N109-S111 VanDerWaalsContact OD1-OG 3.09Å; N109-L112 HydrophobicContact CB-CD1 3.98Å; N109-L112 HydrophobicContact CB-CG 4.24Å; N109-L112 WeakPolarHBondContact O-CG 3.44Å; N109-L112 PolarHBondContact O-N 2.91Å; N109-L112 VanDerWaalsContact O-N 3.11Å
110P87.1Confident85Confident11 Ų1151.1 Ų51.17%0.07128%0.284CS..G310 helixtrans-66.8-2.9-173.1-23.135.8000116S106 V107 S167 V170S106-P110 WeakPolarHBondContact O-CA 2.91Å; V107-P110 WeakPolarHBondContact O-CG 3.36Å; P110-S167 WeakPolarHBondContact O-CB 3.44Å; P110-V170 HydrophobicContact CB-CB 3.96Å; P110-V170 HydrophobicContact CB-CG1 4.17Å; P110-V170 HydrophobicContact CB-CG2 4.44Å; P110-V170 HydrophobicContact CG-CB 4.01Å; P110-V170 HydrophobicContact CG-CG1 3.71Å
111S86.5Confident85.1Confident89 Ų8951.1 Ų51.162%0.62228%0.284SS*.G310 helixtrans-73.6-17.3171.658.50000112.9N109 I113N109-S111 PolarHBondContact O-N 3.09Å; N109-S111 PolarHBondContact OD1-OG 3.05Å; N109-S111 VanDerWaalsContact OD1-OG 3.09Å; S111-I113 PolarHBondContact O-N 3.27Å
112L82.4Confident84.7Confident52 Ų5252.3 Ų52.327%0.27229%0.294SS..G310 helixtrans-76.22.7175.7-58.1176000113.4E105 N109E105-L112 HydrophobicContact CG-CD1 3.91Å; N109-L112 HydrophobicContact CB-CD1 3.98Å; N109-L112 HydrophobicContact CB-CG 4.24Å; N109-L112 WeakPolarHBondContact O-CG 3.44Å; N109-L112 PolarHBondContact O-N 2.91Å; N109-L112 VanDerWaalsContact O-N 3.11Å
113I85.5Confident84.4Confident10 Ų1059.5 Ų59.55%0.05133%0.327CS..  trans-111.792.5-174.7-48.5174.9000109.1S106 S111 S166 V170 V195 L196 R201S106-I113 WeakPolarHBondContact O-CD1 3.39Å; S111-I113 PolarHBondContact O-N 3.27Å; I113-S166 VanDerWaalsContact CG2-CB 3.42Å; I113-S166 WeakPolarHBondContact CG2-OG 3.28Å; I113-S166 WeakPolarHBondContact O-CB 3.37Å; I113-V170 HydrophobicContact CD1-CG2 3.62Å; I113-V195 HydrophobicContact CD1-CG1 4.34Å; I113-V195 HydrophobicContact CG2-CG1 4.26Å; I113-L196 HydrophobicContact CD1-CD2 3.83Å; I113-R201 HydrophobicContact CG1-CG 4.25Å
114G78.1Confident84.3Confident63 Ų6361.1 Ų61.165%0.64934%0.336SS*.  trans-87.1113.6170.500000110.8G199G114-G199 WeakPolarHBondContact O-CA 3.37Å
115S74.6Confident84Confident25 Ų2561.3 Ų61.318%0.17534%0.337CS..  trans-129.4143.1-176.960.40000112.4G164 S166S115-G164 PolarHBondContact OG-O 2.87Å; S115-S166 WeakPolarHBondContact CB-OG 3.44Å; S115-S166 WeakPolarHBondContact OG-CB 3.39Å; S115-S166 PolarHBondContact OG-OG 3.05Å
116L80.7Confident83.7Confident124 Ų12456.1 Ų56.165%0.64931%0.313SS*.  trans-73.5156.3168.1-65.2173000111.6E118L116-E118 PolarHBondContact O-N 3.2Å
117P85.1Confident83.4Confident65 Ų6560.5 Ų60.542%0.42234%0.344SS..  trans-64.7125.2175.2-20.733000113L119P117-L119 VanDerWaalsContact C-N 3.27Å; P117-L119 HydrophobicContact CB-CD2 4.33Å; P117-L119 PolarHBondContact O-N 3.09Å
118E87.5Confident83Confident9 Ų965 Ų654%0.04237%0.365CS..  trans-79.572.6176.7-66.3-174.2-10200111T56 L116 P120 I121 R161 N198T56-E118 WeakPolarHBondContact CA-OE2 3.49Å; T56-E118 VanDerWaalsContact CB-OE2 3.31Å; T56-E118 WeakPolarHBondContact CB-OE2 3.07Å; T56-E118 HydrophobicContact CG2-CB 4.4Å; T56-E118 VanDerWaalsContact CG2-OE2 3.31Å; T56-E118 WeakPolarHBondContact CG2-OE2 3.35Å; T56-E118 WeakPolarHBondContact OG1-CG 3.27Å; T56-E118 PolarHBondContact OG1-OE2 2.65Å; L116-E118 PolarHBondContact O-N 3.2Å; E118-P120 VanDerWaalsContact C-N 3.34Å; E118-I121 HydrophobicContact CB-CD1 3.56Å; E118-I121 HydrophobicContact CB-CG1 3.9Å; E118-I121 HydrophobicContact CG-CD1 4.36Å; E118-I121 WeakPolarHBondContact O-CB 3.03Å; E118-I121 WeakPolarHBondContact O-CG1 3.33Å; E118-I121 PolarHBondContact O-N 3.23Å; E118-I121 VanDerWaalsContact O-N 3.13Å; E118-R161 PolarHBondContact N-O 3.13Å; E118-R161 WeakPolarHBondContact OE1-CB 3.44Å; E118-R161 WeakPolarHBondContact OE1-CG 3.39Å; E118-R161 IonicContact OE1-CZ 3Å; E118-R161 IonicContact OE1-NE 2.73Å; E118-R161 PolarHBondContact OE1-NE 2.7Å; E118-R161 IonicContact OE1-NH2 3.29Å; E118-R161 PolarHBondContact OE1-NH2 2.93Å; E118-R161 IonicContact OE2-CZ 2.81Å; E118-R161 IonicContact OE2-NE 3.07Å; E118-R161 IonicContact OE2-NH2 3.83Å; E118-R161 PolarHBondContact OE2-NH2 3.38Å; E118-N198 VanDerWaalsContact CD-ND2 3.26Å; E118-N198 PolarHBondContact OE1-ND2 3.43Å; E118-N198 PolarHBondContact OE2-ND2 2.99Å
119L83.4Confident82.9Confident125 Ų12557.7 Ų57.765%0.65434%0.337SS*.THydrogen-bonded Turntrans-49-41.9-176.7-60.6177.1000114.7P117 I121 A122P117-L119 VanDerWaalsContact C-N 3.27Å; P117-L119 HydrophobicContact CB-CD2 4.33Å; P117-L119 PolarHBondContact O-N 3.09Å; L119-I121 PolarHBondContact O-N 3.04Å; L119-I121 VanDerWaalsContact O-N 3.09Å; L119-A122 WeakPolarHBondContact O-CB 3.42Å; L119-A122 PolarHBondContact O-N 3.35Å
120P84.4Confident82.7Confident59 Ų5959.2 Ų59.238%0.38335%0.354SS..Hα-helixtrans-59.8-23.5-178.7-27.137.6000114.8E118 A122 E123 M124E118-P120 VanDerWaalsContact C-N 3.34Å; P120-A122 PolarHBondContact O-N 3.49Å; P120-E123 PolarHBondContact O-N 3.37Å; P120-M124 HydrophobicContact CB-CE 3.84Å; P120-M124 WeakPolarHBondContact O-CE 3.18Å; P120-M124 WeakPolarHBondContact O-CG 3.33Å; P120-M124 PolarHBondContact O-N 3.36Å
121I86.6Confident82.6Confident0 Ų060 Ų600%036%0.36CS..Hα-helixtrans-59.5-36.7176.9-61.1-178.6000110.8T56 I58 E118 L119 T125 F126 R161T56-I121 HydrophobicContact CG2-CD1 4.21Å; T56-I121 HydrophobicContact CG2-CG1 3.59Å; I58-I121 HydrophobicContact CG2-CD1 4.21Å; I58-I121 HydrophobicContact CG2-CG1 4.01Å; I58-I121 HydrophobicContact CG2-CG2 4.5Å; E118-I121 HydrophobicContact CB-CD1 3.56Å; E118-I121 HydrophobicContact CB-CG1 3.9Å; E118-I121 HydrophobicContact CG-CD1 4.36Å; E118-I121 WeakPolarHBondContact O-CB 3.03Å; E118-I121 WeakPolarHBondContact O-CG1 3.33Å; E118-I121 PolarHBondContact O-N 3.23Å; E118-I121 VanDerWaalsContact O-N 3.13Å; L119-I121 PolarHBondContact O-N 3.04Å; L119-I121 VanDerWaalsContact O-N 3.09Å; I121-T125 WeakPolarHBondContact O-CB 3.48Å; I121-T125 PolarHBondContact O-N 3.14Å; I121-T125 PolarHBondContact O-OG1 3.49Å; I121-F126 HydrophobicContact CG2-CE1 4.45Å; I121-F126 HydrophobicContact CG2-CZ 4.01Å; I121-R161 HydrophobicContact CD1-CB 3.5Å; I121-R161 HydrophobicContact CD1-CG 4.46Å
122A82.4Confident82.5Confident27 Ų2758.5 Ų58.522%0.22335%0.347CS..Hα-helixtrans-67.5-41.8-178.300000112L119 P120 F126 P132L119-A122 WeakPolarHBondContact O-CB 3.42Å; L119-A122 PolarHBondContact O-N 3.35Å; P120-A122 PolarHBondContact O-N 3.49Å; A122-F126 VanDerWaalsContact CA-CD2 3.42Å; A122-F126 HydrophobicContact CB-CD2 3.66Å; A122-F126 HydrophobicContact CB-CE2 3.99Å; A122-F126 WeakPolarHBondContact O-CA 3.42Å; A122-F126 WeakPolarHBondContact O-CB 3.39Å; A122-F126 PolarHBondContact O-N 2.8Å; A122-P132 HydrophobicContact CB-CG 4.28Å
123E78.6Confident82.7Confident159 Ų15957.8 Ų57.874%0.74335%0.349SS*.Hα-helixtrans-67.9-43.1177.4-61.1-178.9166.100111.5P120P120-E123 PolarHBondContact O-N 3.37Å
124M78.8Confident82.8Confident99 Ų9958 Ų5849%0.48835%0.35SS..Hα-helixtrans-76.4-24.4-178.1-65.5-174.8-74.700114.5T56 I58 P120T56-M124 HydrophobicContact CG2-CE 4.07Å; I58-M124 HydrophobicContact CD1-CB 3.67Å; I58-M124 HydrophobicContact CD1-CE 3.92Å; I58-M124 HydrophobicContact CD1-SD 4.21Å; I58-M124 HydrophobicContact CG1-CE 4.02Å; I58-M124 HydrophobicContact CG1-SD 4.34Å; P120-M124 HydrophobicContact CB-CE 3.84Å; P120-M124 WeakPolarHBondContact O-CE 3.18Å; P120-M124 WeakPolarHBondContact O-CG 3.33Å; P120-M124 PolarHBondContact O-N 3.36Å
125T80.4Confident83.4Confident6 Ų655 Ų554%0.03732%0.319CS..Hα-helixtrans-119.3-35.3-170.6-39.10000114I58 L61 I121 Y158I58-T125 VanDerWaalsContact CD1-OG1 3.25Å; I58-T125 WeakPolarHBondContact CD1-OG1 3.39Å; L61-T125 HydrophobicContact CD1-CG2 4.35Å; L61-T125 HydrophobicContact CD2-CG2 4.33Å; L61-T125 HydrophobicContact CG-CG2 4.16Å; I121-T125 WeakPolarHBondContact O-CB 3.48Å; I121-T125 PolarHBondContact O-N 3.14Å; I121-T125 PolarHBondContact O-OG1 3.49Å; T125-Y158 HydrophobicContact CG2-CD2 4.17Å
126F82.5Confident84.2Confident6 Ų653.9 Ų53.93%0.02631%0.311CS..  trans-101.812.7-167.7-47.2-26.6000113.5I121 A122 E128 W129 P132 F135 S162I121-F126 HydrophobicContact CG2-CE1 4.45Å; I121-F126 HydrophobicContact CG2-CZ 4.01Å; A122-F126 VanDerWaalsContact CA-CD2 3.42Å; A122-F126 HydrophobicContact CB-CD2 3.66Å; A122-F126 HydrophobicContact CB-CE2 3.99Å; A122-F126 WeakPolarHBondContact O-CA 3.42Å; A122-F126 WeakPolarHBondContact O-CB 3.39Å; A122-F126 PolarHBondContact O-N 2.8Å; F126-E128 PolarHBondContact O-N 3.43Å; F126-E128 VanDerWaalsContact O-N 3.09Å; F126-W129 PolarHBondContact O-N 3.34Å; F126-P132 HydrophobicContact CD2-CB 3.79Å; F126-P132 HydrophobicContact CD2-CG 4.02Å; F126-P132 HydrophobicContact CE2-CB 3.98Å; F126-F135 HydrophobicContact CD1-CB 4.06Å; F126-F135 AromaticContact CD1-CD1 3.68Å; F126-F135 HydrophobicContact CD1-CD1 3.68Å; F126-F135 AromaticContact CD1-CD2 3.56Å; F126-F135 HydrophobicContact CD1-CD2 3.56Å; F126-F135 AromaticContact CD1-CE1 3.96Å; F126-F135 HydrophobicContact CD1-CE1 3.96Å; F126-F135 AromaticContact CD1-CE2 3.84Å; F126-F135 HydrophobicContact CD1-CE2 3.84Å; F126-F135 AromaticContact CD1-CG 3.47Å; F126-F135 HydrophobicContact CD1-CG 3.47Å; F126-F135 VanDerWaalsContact CD1-CG 3.47Å; F126-F135 HydrophobicContact CD1-CZ 4.02Å; F126-F135 AromaticContact CE1-CD1 3.34Å; F126-F135 HydrophobicContact CE1-CD1 3.34Å; F126-F135 AromaticContact CE1-CD2 3.95Å; F126-F135 HydrophobicContact CE1-CD2 3.95Å; F126-F135 AromaticContact CE1-CE1 3.29Å; F126-F135 HydrophobicContact CE1-CE1 3.29Å; F126-F135 AromaticContact CE1-CE2 3.9Å; F126-F135 HydrophobicContact CE1-CE2 3.9Å; F126-F135 AromaticContact CE1-CG 3.69Å; F126-F135 HydrophobicContact CE1-CG 3.69Å; F126-F135 AromaticContact CE1-CZ 3.58Å; F126-F135 HydrophobicContact CE1-CZ 3.58Å; F126-F135 HydrophobicContact CE2-CD1 4.42Å; F126-F135 HydrophobicContact CG-CB 4.14Å; F126-F135 HydrophobicContact CG-CD1 4.4Å; F126-F135 HydrophobicContact CG-CD2 4.4Å; F126-F135 HydrophobicContact CG-CG 4.07Å; F126-F135 AromaticContact CZ-CD1 3.78Å; F126-F135 HydrophobicContact CZ-CD1 3.78Å; F126-F135 AromaticContact CZ-CE1 3.88Å; F126-F135 HydrophobicContact CZ-CE1 3.88Å; F126-F135 HydrophobicContact CZ-CG 4.39Å; F126-S162 WeakPolarHBondContact CE2-OG 3.45Å
127S81.6Confident84.7Confident93 Ų9348.1 Ų48.165%0.6528%0.282SS*.THydrogen-bonded Turntrans-52.7-31.3-177.854.30000114.6W129S127-W129 VanDerWaalsContact C-N 3.32Å
128E82.7Confident85.1Confident96 Ų9645 Ų4545%0.44926%0.262SS..THydrogen-bonded Turntrans-83.1-2.4178.7-61.2-76154.400113.7I71 V75 F126I71-E128 HydrophobicContact CG2-CB 4.07Å; I71-E128 HydrophobicContact CG2-CG 3.92Å; V75-E128 HydrophobicContact CG2-CB 4.05Å; V75-E128 WeakPolarHBondContact CG2-O 3.32Å; F126-E128 PolarHBondContact O-N 3.43Å; F126-E128 VanDerWaalsContact O-N 3.09Å
129W86.4Confident85.3Confident20 Ų2044.6 Ų44.68%0.07626%0.26CS..SBendtrans-113.5143.1178.7-70.7-97.7000111.7L61 I71 L74 V75 F126 S127 S131 F135 S138L61-W129 HydrophobicContact CD1-CH2 4.11Å; L61-W129 HydrophobicContact CD1-CZ3 4.17Å; I71-W129 HydrophobicContact CG2-CH2 4.21Å; I71-W129 HydrophobicContact CG2-CZ3 4.48Å; L74-W129 HydrophobicContact CB-CZ2 3.97Å; V75-W129 HydrophobicContact CG2-CD2 3.92Å; V75-W129 HydrophobicContact CG2-CE3 4.41Å; V75-W129 HydrophobicContact CG2-CG 4.35Å; V75-W129 HydrophobicContact CG2-CH2 4.35Å; V75-W129 HydrophobicContact CG2-CZ2 3.84Å; F126-W129 PolarHBondContact O-N 3.34Å; S127-W129 VanDerWaalsContact C-N 3.32Å; W129-S131 PolarHBondContact O-N 3.21Å; W129-F135 HydrophobicContact CB-CB 4.34Å; W129-F135 HydrophobicContact CD2-CB 4.07Å; W129-F135 AromaticContact CD2-CD2 3.84Å; W129-F135 HydrophobicContact CD2-CD2 3.84Å; W129-F135 HydrophobicContact CD2-CG 4.47Å; W129-F135 AromaticContact CE2-CD2 3.74Å; W129-F135 AromaticContact CE3-CD2 3.9Å; W129-F135 HydrophobicContact CE3-CD2 3.9Å; W129-F135 HydrophobicContact CG-CB 3.92Å; W129-F135 AromaticContact CH2-CD2 3.79Å; W129-F135 HydrophobicContact CH2-CD2 3.79Å; W129-F135 HydrophobicContact CH2-CE2 4.01Å; W129-F135 AromaticContact CZ2-CD2 3.73Å; W129-F135 HydrophobicContact CZ2-CD2 3.73Å; W129-F135 HydrophobicContact CZ2-CE2 4.21Å; W129-F135 AromaticContact CZ3-CD2 3.87Å; W129-F135 HydrophobicContact CZ3-CD2 3.87Å; W129-F135 HydrophobicContact CZ3-CE2 4.27Å; W129-S138 PolarHBondContact NE1-OG 3.36Å
130S81.8Confident85.8Confident106 Ų10638.7 Ų38.774%0.74123%0.229SC*.SBendtrans-64.1-21.1177.542.40000114.7D134S130-D134 PolarHBondContact OG-OD2 3.23Å
131S84Confident86.1Confident28 Ų2837.7 Ų37.720%0.19622%0.22CC..SBendtrans-162158.9172.170.20000111.3W129 A133 D134 F135W129-S131 PolarHBondContact O-N 3.21Å; S131-A133 PolarHBondContact O-N 3.31Å; S131-A133 VanDerWaalsContact O-N 3.14Å; S131-A133 PolarHBondContact OG-N 3.27Å; S131-D134 WeakPolarHBondContact CB-OD2 3.22Å; S131-D134 PolarHBondContact N-OD2 3.28Å; S131-D134 PolarHBondContact O-N 3.17Å; S131-D134 PolarHBondContact OG-N 3.18Å; S131-D134 PolarHBondContact OG-OD2 3.43Å; S131-F135 PolarHBondContact O-N 3.03Å
132P85.8Confident86.3Confident56 Ų5641.1 Ų41.136%0.36424%0.235SC..Hα-helixtrans-55.2-30.2171.3-25.133.6000113.2A122 F126 F135 G136 Y159A122-P132 HydrophobicContact CB-CG 4.28Å; F126-P132 HydrophobicContact CD2-CB 3.79Å; F126-P132 HydrophobicContact CD2-CG 4.02Å; F126-P132 HydrophobicContact CE2-CB 3.98Å; P132-F135 PolarHBondContact O-N 3.24Å; P132-G136 PolarHBondContact O-N 2.87Å; P132-Y159 VanDerWaalsContact O-CD2 3.31Å; P132-Y159 WeakPolarHBondContact O-CD2 3.5Å; P132-Y159 VanDerWaalsContact O-CE2 3.24Å; P132-Y159 WeakPolarHBondContact O-CE2 3.29Å
133A86Confident86.8Confident37 Ų3739.9 Ų39.931%0.30623%0.225SC..Hα-helixtrans-68.5-32.3176.300000112.9S131 G136 A137S131-A133 PolarHBondContact O-N 3.31Å; S131-A133 VanDerWaalsContact O-N 3.14Å; S131-A133 PolarHBondContact OG-N 3.27Å; A133-G136 PolarHBondContact O-N 2.04Å; A133-A137 WeakPolarHBondContact O-CB 3.32Å; A133-A137 PolarHBondContact O-N 3.38Å
134D88Confident87.3Confident15 Ų1538.7 Ų38.78%0.0822%0.217CC..Hα-helixtrans-76.6-32.9177.1-55-45.1000111R83 S130 S131 S138R83-D134 IonicContact CZ-OD1 3.22Å; R83-D134 IonicContact NE-OD1 2.82Å; R83-D134 PolarHBondContact NE-OD1 3.17Å; R83-D134 VanDerWaalsContact NH2-CG 3.33Å; R83-D134 IonicContact NH2-OD1 2.78Å; R83-D134 PolarHBondContact NH2-OD1 3.2Å; R83-D134 IonicContact NH2-OD2 3.08Å; R83-D134 PolarHBondContact NH2-OD2 2.85Å; R83-D134 VanDerWaalsContact NH2-OD2 3.08Å; S130-D134 PolarHBondContact OG-OD2 3.23Å; S131-D134 WeakPolarHBondContact CB-OD2 3.22Å; S131-D134 PolarHBondContact N-OD2 3.28Å; S131-D134 PolarHBondContact O-N 3.17Å; S131-D134 PolarHBondContact OG-N 3.18Å; S131-D134 PolarHBondContact OG-OD2 3.43Å; D134-S138 PolarHBondContact O-N 3.12Å; D134-S138 PolarHBondContact O-OG 3.24Å
135F90.9Very high87.9Confident0 Ų043.1 Ų43.10%023%0.229CC..Hα-helixtrans-60.4-52.1165.3174.5-93.7000111F126 W129 S131 P132 A137 S138 I139 L155 Y159F126-F135 HydrophobicContact CD1-CB 4.06Å; F126-F135 AromaticContact CD1-CD1 3.68Å; F126-F135 HydrophobicContact CD1-CD1 3.68Å; F126-F135 AromaticContact CD1-CD2 3.56Å; F126-F135 HydrophobicContact CD1-CD2 3.56Å; F126-F135 AromaticContact CD1-CE1 3.96Å; F126-F135 HydrophobicContact CD1-CE1 3.96Å; F126-F135 AromaticContact CD1-CE2 3.84Å; F126-F135 HydrophobicContact CD1-CE2 3.84Å; F126-F135 AromaticContact CD1-CG 3.47Å; F126-F135 HydrophobicContact CD1-CG 3.47Å; F126-F135 VanDerWaalsContact CD1-CG 3.47Å; F126-F135 HydrophobicContact CD1-CZ 4.02Å; F126-F135 AromaticContact CE1-CD1 3.34Å; F126-F135 HydrophobicContact CE1-CD1 3.34Å; F126-F135 AromaticContact CE1-CD2 3.95Å; F126-F135 HydrophobicContact CE1-CD2 3.95Å; F126-F135 AromaticContact CE1-CE1 3.29Å; F126-F135 HydrophobicContact CE1-CE1 3.29Å; F126-F135 AromaticContact CE1-CE2 3.9Å; F126-F135 HydrophobicContact CE1-CE2 3.9Å; F126-F135 AromaticContact CE1-CG 3.69Å; F126-F135 HydrophobicContact CE1-CG 3.69Å; F126-F135 AromaticContact CE1-CZ 3.58Å; F126-F135 HydrophobicContact CE1-CZ 3.58Å; F126-F135 HydrophobicContact CE2-CD1 4.42Å; F126-F135 HydrophobicContact CG-CB 4.14Å; F126-F135 HydrophobicContact CG-CD1 4.4Å; F126-F135 HydrophobicContact CG-CD2 4.4Å; F126-F135 HydrophobicContact CG-CG 4.07Å; F126-F135 AromaticContact CZ-CD1 3.78Å; F126-F135 HydrophobicContact CZ-CD1 3.78Å; F126-F135 AromaticContact CZ-CE1 3.88Å; F126-F135 HydrophobicContact CZ-CE1 3.88Å; F126-F135 HydrophobicContact CZ-CG 4.39Å; W129-F135 HydrophobicContact CB-CB 4.34Å; W129-F135 HydrophobicContact CD2-CB 4.07Å; W129-F135 AromaticContact CD2-CD2 3.84Å; W129-F135 HydrophobicContact CD2-CD2 3.84Å; W129-F135 HydrophobicContact CD2-CG 4.47Å; W129-F135 AromaticContact CE2-CD2 3.74Å; W129-F135 AromaticContact CE3-CD2 3.9Å; W129-F135 HydrophobicContact CE3-CD2 3.9Å; W129-F135 HydrophobicContact CG-CB 3.92Å; W129-F135 AromaticContact CH2-CD2 3.79Å; W129-F135 HydrophobicContact CH2-CD2 3.79Å; W129-F135 HydrophobicContact CH2-CE2 4.01Å; W129-F135 AromaticContact CZ2-CD2 3.73Å; W129-F135 HydrophobicContact CZ2-CD2 3.73Å; W129-F135 HydrophobicContact CZ2-CE2 4.21Å; W129-F135 AromaticContact CZ3-CD2 3.87Å; W129-F135 HydrophobicContact CZ3-CD2 3.87Å; W129-F135 HydrophobicContact CZ3-CE2 4.27Å; S131-F135 PolarHBondContact O-N 3.03Å; P132-F135 PolarHBondContact O-N 3.24Å; F135-A137 VanDerWaalsContact C-N 3.28Å; F135-A137 PolarHBondContact O-N 2.92Å; F135-S138 WeakPolarHBondContact O-CA 3.38Å; F135-S138 VanDerWaalsContact O-CB 3.27Å; F135-S138 WeakPolarHBondContact O-CB 3.4Å; F135-S138 PolarHBondContact O-N 3.27Å; F135-I139 HydrophobicContact CD1-CG1 4.31Å; F135-I139 HydrophobicContact CE1-CG1 3.88Å; F135-I139 HydrophobicContact CE2-CD1 4.25Å; F135-I139 HydrophobicContact CE2-CG1 4.23Å; F135-I139 HydrophobicContact CZ-CD1 4.1Å; F135-I139 HydrophobicContact CZ-CG1 3.85Å; F135-I139 PolarHBondContact O-N 3.45Å; F135-L155 HydrophobicContact CZ-CB 4.13Å; F135-Y159 HydrophobicContact CD1-CD2 4.4Å
136G91.6Very high88.3Confident1 Ų146.5 Ų46.51%0.0125%0.246CC..Hα-helixtrans-54.8-41.517700000113.1P132 A133 I139 A140P132-G136 PolarHBondContact O-N 2.87Å; A133-G136 PolarHBondContact O-N 2.04Å; G136-I139 PolarHBondContact O-N 3.27Å; G136-A140 VanDerWaalsContact O-CB 3.25Å; G136-A140 WeakPolarHBondContact O-CB 3.13Å; G136-A140 PolarHBondContact O-N 3.08Å
137A91.1Very high88.8Confident3 Ų348.5 Ų48.53%0.02526%0.26CS..Hα-helixtrans-65.6-39.317500000113.1R84 A133 F135 A140 N141R84-A137 WeakPolarHBondContact O-CA 3.48Å; A133-A137 WeakPolarHBondContact O-CB 3.32Å; A133-A137 PolarHBondContact O-N 3.38Å; F135-A137 VanDerWaalsContact C-N 3.28Å; F135-A137 PolarHBondContact O-N 2.92Å; A137-A140 PolarHBondContact O-N 3.49Å; A137-N141 WeakPolarHBondContact O-CB 3.46Å; A137-N141 PolarHBondContact O-N 2.97Å; A137-N141 PolarHBondContact O-ND2 2.72Å
138S91.7Very high89.1Confident0 Ų051.1 Ų51.10%026%0.262CS..Hα-helixtrans-58.5-49.4175.3-54.80000111.1L74 G78 W129 D134 F135 N141 K142L74-S138 VanDerWaalsContact O-CB 3.31Å; L74-S138 WeakPolarHBondContact O-CB 3.44Å; L74-S138 PolarHBondContact O-OG 2.69Å; G78-S138 WeakPolarHBondContact CA-OG 3.31Å; G78-S138 PolarHBondContact N-OG 2.79Å; W129-S138 PolarHBondContact NE1-OG 3.36Å; D134-S138 PolarHBondContact O-N 3.12Å; D134-S138 PolarHBondContact O-OG 3.24Å; F135-S138 WeakPolarHBondContact O-CA 3.38Å; F135-S138 VanDerWaalsContact O-CB 3.27Å; F135-S138 WeakPolarHBondContact O-CB 3.4Å; F135-S138 PolarHBondContact O-N 3.27Å; S138-N141 PolarHBondContact O-N 3.18Å; S138-K142 PolarHBondContact O-N 2.82Å
139I93.3Very high89.5Confident0 Ų047.6 Ų47.60%025%0.248CC..Hα-helixtrans-65.9-44.6178.1-57.8-56.4000111.1P86 F135 G136 N141 K142 L143 M152 L155 A156P86-I139 HydrophobicContact CB-CG2 4.28Å; F135-I139 HydrophobicContact CD1-CG1 4.31Å; F135-I139 HydrophobicContact CE1-CG1 3.88Å; F135-I139 HydrophobicContact CE2-CD1 4.25Å; F135-I139 HydrophobicContact CE2-CG1 4.23Å; F135-I139 HydrophobicContact CZ-CD1 4.1Å; F135-I139 HydrophobicContact CZ-CG1 3.85Å; F135-I139 PolarHBondContact O-N 3.45Å; G136-I139 PolarHBondContact O-N 3.27Å; I139-N141 VanDerWaalsContact C-N 3.27Å; I139-N141 PolarHBondContact O-N 3.23Å; I139-K142 PolarHBondContact O-N 3.29Å; I139-K142 VanDerWaalsContact O-N 3.16Å; I139-L143 HydrophobicContact CG2-CD1 3.98Å; I139-L143 HydrophobicContact CG2-CG 4.35Å; I139-L143 WeakPolarHBondContact O-CB 3.42Å; I139-L143 PolarHBondContact O-N 3.01Å; I139-M152 HydrophobicContact CD1-SD 3.87Å; I139-M152 HydrophobicContact CG2-CB 4.49Å; I139-M152 WeakPolarHBondContact CG2-O 3.14Å; I139-L155 HydrophobicContact CD1-CB 3.81Å; I139-L155 HydrophobicContact CD1-CD1 3.89Å; I139-L155 HydrophobicContact CG1-CB 4.29Å; I139-A156 HydrophobicContact CG2-CB 3.93Å
140A92.4Very high89.8Confident1 Ų148.7 Ų48.71%0.00825%0.252CS..Hα-helixtrans-59.2-3617700000113R84 P86 Y91 G136 A137 K144R84-A140 HydrophobicContact CB-CB 4.16Å; R84-A140 WeakPolarHBondContact O-CB 3.46Å; P86-A140 HydrophobicContact CB-CB 4.14Å; Y91-A140 WeakPolarHBondContact CE1-O 3.32Å; Y91-A140 VanDerWaalsContact OH-CA 3.3Å; Y91-A140 WeakPolarHBondContact OH-CA 2.98Å; Y91-A140 WeakPolarHBondContact OH-CB 2.99Å; Y91-A140 PolarHBondContact OH-O 2.91Å; G136-A140 VanDerWaalsContact O-CB 3.25Å; G136-A140 WeakPolarHBondContact O-CB 3.13Å; G136-A140 PolarHBondContact O-N 3.08Å; A137-A140 PolarHBondContact O-N 3.49Å; A140-K144 PolarHBondContact O-N 3.12Å
141N91.2Very high90.3Very high38 Ų3845.1 Ų45.120%0.20322%0.224CC..Hα-helixtrans-75.6-35.2176.2-77.4-26.5000112.6L77 A137 S138 I139L77-N141 HydrophobicContact CB-CB 4.49Å; L77-N141 PolarHBondContact O-ND2 2.92Å; A137-N141 WeakPolarHBondContact O-CB 3.46Å; A137-N141 PolarHBondContact O-N 2.97Å; A137-N141 PolarHBondContact O-ND2 2.72Å; S138-N141 PolarHBondContact O-N 3.18Å; I139-N141 VanDerWaalsContact C-N 3.27Å; I139-N141 PolarHBondContact O-N 3.23Å
142K90.9Very high90.8Very high73 Ų7344.1 Ų44.132%0.31722%0.217SC..Hα-helixtrans-69.6-45.2174.3-165.780.2168.9-158.90111.6L74 L77 S138 I139 K144 R145 N146 M152L74-K142 HydrophobicContact CD2-CB 4.39Å; L74-K142 HydrophobicContact CD2-CD 4.14Å; L74-K142 HydrophobicContact CD2-CG 4.27Å; L77-K142 HydrophobicContact CD1-CB 4.4Å; L77-K142 HydrophobicContact CD1-CD 3.81Å; S138-K142 PolarHBondContact O-N 2.82Å; I139-K142 PolarHBondContact O-N 3.29Å; I139-K142 VanDerWaalsContact O-N 3.16Å; K142-K144 VanDerWaalsContact C-N 3.28Å; K142-K144 PolarHBondContact O-N 3.04Å; K142-R145 PolarHBondContact O-N 3.49Å; K142-N146 PolarHBondContact O-N 3.31Å; K142-M152 HydrophobicContact CB-CG 4.37Å; K142-M152 HydrophobicContact CB-SD 4Å; K142-M152 HydrophobicContact CG-CE 4.4Å; K142-M152 HydrophobicContact CG-CG 3.87Å; K142-M152 HydrophobicContact CG-SD 3.68Å
143L92.5Very high91.3Very high0 Ų041.5 Ų41.50%020%0.2CC..Hα-helixtrans-58.7-36.8175.1-78.1171.9000112.5P86 Y91 I139 R145 N146 M152 Y153 A156P86-L143 HydrophobicContact CB-CD1 4.36Å; Y91-L143 HydrophobicContact CD1-CB 3.88Å; Y91-L143 HydrophobicContact CD2-CB 4.2Å; Y91-L143 HydrophobicContact CD2-CD1 4.29Å; Y91-L143 HydrophobicContact CE1-CB 3.87Å; Y91-L143 HydrophobicContact CE2-CB 4.21Å; Y91-L143 HydrophobicContact CE2-CD1 4.25Å; Y91-L143 HydrophobicContact CG-CB 4.03Å; I139-L143 HydrophobicContact CG2-CD1 3.98Å; I139-L143 HydrophobicContact CG2-CG 4.35Å; I139-L143 WeakPolarHBondContact O-CB 3.42Å; I139-L143 PolarHBondContact O-N 3.01Å; L143-R145 PolarHBondContact O-N 2.93Å; L143-N146 CarbonylContact O-C 3.26Å; L143-N146 VanDerWaalsContact O-C 3.26Å; L143-N146 PolarHBondContact O-N 3.07Å; L143-M152 HydrophobicContact CD2-CB 3.55Å; L143-M152 HydrophobicContact CG-CB 3.84Å; L143-Y153 HydrophobicContact CD1-CD1 4.22Å; L143-Y153 HydrophobicContact CD1-CE1 4.22Å; L143-Y153 HydrophobicContact CD2-CD1 3.91Å; L143-Y153 HydrophobicContact CD2-CD2 4.24Å; L143-Y153 HydrophobicContact CD2-CE1 3.73Å; L143-Y153 HydrophobicContact CD2-CE2 4.07Å; L143-Y153 HydrophobicContact CD2-CG 4.15Å; L143-A156 HydrophobicContact CD1-CB 4.35Å
144K90.8Very high91.7Very high135 Ų13539.7 Ų39.759%0.58719%0.185SC*.Hα-helixtrans-60.1-31.7174.2-164-174.7174.2-166.90112.8Y91 A140 K142Y91-K144 HydrophobicContact CD1-CB 4.5Å; Y91-K144 HydrophobicContact CE1-CB 3.9Å; A140-K144 PolarHBondContact O-N 3.12Å; K142-K144 VanDerWaalsContact C-N 3.28Å; K142-K144 PolarHBondContact O-N 3.04Å
145R89.4Confident92Very high192 Ų19239 Ų3973%0.72518%0.181SC*.Hα-helixtrans-88.9-32.7179.4-62.3-177.7-172-169.84.2112.6K142 L143K142-R145 PolarHBondContact O-N 3.49Å; L143-R145 PolarHBondContact O-N 2.93Å
146N90.5Very high92.2Very high77 Ų7739 Ų3941%0.41218%0.181SC..  trans-135.986.5177.4-174.9-2.9000111.7K142 L143 Q148 S149K142-N146 PolarHBondContact O-N 3.31Å; L143-N146 CarbonylContact O-C 3.26Å; L143-N146 VanDerWaalsContact O-C 3.26Å; L143-N146 PolarHBondContact O-N 3.07Å; N146-Q148 PolarHBondContact O-N 3.31Å; N146-Q148 PolarHBondContact OD1-N 3.47Å; N146-S149 PolarHBondContact O-N 2.71Å
147P91.7Very high92.4Very high48 Ų4839 Ų3931%0.31218%0.181SC..THydrogen-bonded Turntrans-69.8-5.1179.1-2133.9000115.4Y153P147-Y153 WeakPolarHBondContact O-CE2 3.3Å; P147-Y153 PolarHBondContact O-OH 2.8Å
148Q88.4Confident92.5Very high147 Ų14738.9 Ų38.969%0.68718%0.18SC*.THydrogen-bonded Turntrans-101.56.3179.3-69-171-29.700113.1N146 W150N146-Q148 PolarHBondContact O-N 3.31Å; N146-Q148 PolarHBondContact OD1-N 3.47Å; Q148-W150 PolarHBondContact O-N 2.85Å
149S91.9Very high92.6Very high23 Ų2340 Ų4016%0.16118%0.184CC..  trans-79.899.3179-173.40000111.9N146 L151 M152 Y153N146-S149 PolarHBondContact O-N 2.71Å; S149-L151 PolarHBondContact O-N 3.1Å; S149-M152 PolarHBondContact O-N 3.44Å; S149-M152 WeakPolarHBondContact OG-CG 3.47Å; S149-M152 PolarHBondContact OG-N 2.03Å; S149-Y153 WeakPolarHBondContact O-CD2 3.33Å; S149-Y153 PolarHBondContact O-N 3.13Å
150W92.1Very high92.7Very high42 Ų4240.8 Ų40.816%0.15919%0.187CC..Hα-helixtrans-52.3-39.6171.867.8-98.9000111.9Q148 M152 Y153 T154 L179 I180 Y184 L187Q148-W150 PolarHBondContact O-N 2.85Å; W150-M152 PolarHBondContact O-N 3.18Å; W150-Y153 WeakPolarHBondContact O-CB 3.42Å; W150-Y153 PolarHBondContact O-N 3.28Å; W150-T154 PolarHBondContact O-N 3.31Å; W150-T154 PolarHBondContact O-OG1 3.22Å; W150-T154 VanDerWaalsContact O-OG1 3.1Å; W150-L179 HydrophobicContact CB-CB 3.91Å; W150-I180 HydrophobicContact CB-CB 4.12Å; W150-I180 HydrophobicContact CB-CG1 4.41Å; W150-I180 HydrophobicContact CD2-CB 4.33Å; W150-I180 HydrophobicContact CD2-CD1 3.73Å; W150-I180 HydrophobicContact CD2-CG1 3.64Å; W150-I180 HydrophobicContact CE3-CD1 3.25Å; W150-I180 HydrophobicContact CE3-CG1 3.75Å; W150-I180 HydrophobicContact CG-CB 4.14Å; W150-I180 HydrophobicContact CG-CD1 4.38Å; W150-I180 HydrophobicContact CG-CG1 3.95Å; W150-I180 HydrophobicContact CH2-CD1 4.28Å; W150-I180 HydrophobicContact CZ3-CD1 3.57Å; W150-I180 HydrophobicContact CZ3-CG1 4.28Å; W150-Y184 HydrophobicContact CH2-CD1 4.08Å; W150-Y184 HydrophobicContact CH2-CD2 4.36Å; W150-Y184 AromaticContact CH2-CG 3.73Å; W150-Y184 HydrophobicContact CH2-CG 3.73Å; W150-Y184 HydrophobicContact CZ2-CD1 4.3Å; W150-Y184 AromaticContact CZ2-CD2 3.83Å; W150-Y184 HydrophobicContact CZ2-CD2 3.83Å; W150-Y184 AromaticContact CZ2-CG 3.69Å; W150-Y184 HydrophobicContact CZ2-CG 3.69Å; W150-L187 HydrophobicContact CH2-CD1 3.99Å; W150-L187 HydrophobicContact CZ3-CD1 4.03Å
151L92.9Very high92.7Very high31 Ų3141 Ų4116%0.16219%0.188CC..Hα-helixtrans-63.2-42.1-178.4-176.761.1000111.9M64 F66 S149 Y153 T154 L155M64-L151 HydrophobicContact CB-CD1 4.4Å; M64-L151 HydrophobicContact SD-CD1 3.78Å; F66-L151 HydrophobicContact CE2-CD1 4.18Å; F66-L151 HydrophobicContact CE2-CD2 3.72Å; F66-L151 HydrophobicContact CE2-CG 4.11Å; F66-L151 HydrophobicContact CZ-CD2 3.66Å; F66-L151 HydrophobicContact CZ-CG 4.13Å; S149-L151 PolarHBondContact O-N 3.1Å; L151-Y153 VanDerWaalsContact C-N 3.33Å; L151-Y153 PolarHBondContact O-N 3.05Å; L151-T154 WeakPolarHBondContact O-CB 3.13Å; L151-T154 PolarHBondContact O-N 2.85Å; L151-L155 WeakPolarHBondContact O-CG 3.46Å; L151-L155 PolarHBondContact O-N 3.03Å
152M94.4Very high92.7Very high8 Ų839.7 Ų39.74%0.03918%0.182CC..Hα-helixtrans-69.9-29.9176.8-64.4-64.7133.100112.4F66 L74 I139 K142 L143 S149 W150 L155 A156F66-M152 HydrophobicContact CE1-CE 4.18Å; F66-M152 HydrophobicContact CZ-CE 3.79Å; L74-M152 HydrophobicContact CD1-CE 4.42Å; L74-M152 HydrophobicContact CD2-CE 4.32Å; L74-M152 HydrophobicContact CD2-SD 4.31Å; I139-M152 HydrophobicContact CD1-SD 3.87Å; I139-M152 HydrophobicContact CG2-CB 4.49Å; I139-M152 WeakPolarHBondContact CG2-O 3.14Å; K142-M152 HydrophobicContact CB-CG 4.37Å; K142-M152 HydrophobicContact CB-SD 4Å; K142-M152 HydrophobicContact CG-CE 4.4Å; K142-M152 HydrophobicContact CG-CG 3.87Å; K142-M152 HydrophobicContact CG-SD 3.68Å; L143-M152 HydrophobicContact CD2-CB 3.55Å; L143-M152 HydrophobicContact CG-CB 3.84Å; S149-M152 PolarHBondContact O-N 3.44Å; S149-M152 WeakPolarHBondContact OG-CG 3.47Å; S149-M152 PolarHBondContact OG-N 2.03Å; W150-M152 PolarHBondContact O-N 3.18Å; M152-L155 HydrophobicContact CE-CD1 4.12Å; M152-L155 HydrophobicContact SD-CD1 4.35Å; M152-A156 WeakPolarHBondContact O-CB 3.27Å; M152-A156 PolarHBondContact O-N 3.13Å
153Y95.9Very high92.6Very high0 Ų039.3 Ų39.30%019%0.185CC..Hα-helixtrans-69.5-37.7169.4-70.1-62.6000112.3C88 M92 L143 P147 S149 W150 L151 A156 S157 R175 L179C88-Y153 HydrophobicContact CB-CD1 3.85Å; C88-Y153 HydrophobicContact CB-CE1 3.88Å; M92-Y153 WeakPolarHBondContact CB-OH 3.43Å; L143-Y153 HydrophobicContact CD1-CD1 4.22Å; L143-Y153 HydrophobicContact CD1-CE1 4.22Å; L143-Y153 HydrophobicContact CD2-CD1 3.91Å; L143-Y153 HydrophobicContact CD2-CD2 4.24Å; L143-Y153 HydrophobicContact CD2-CE1 3.73Å; L143-Y153 HydrophobicContact CD2-CE2 4.07Å; L143-Y153 HydrophobicContact CD2-CG 4.15Å; P147-Y153 WeakPolarHBondContact O-CE2 3.3Å; P147-Y153 PolarHBondContact O-OH 2.8Å; S149-Y153 WeakPolarHBondContact O-CD2 3.33Å; S149-Y153 PolarHBondContact O-N 3.13Å; W150-Y153 WeakPolarHBondContact O-CB 3.42Å; W150-Y153 PolarHBondContact O-N 3.28Å; L151-Y153 VanDerWaalsContact C-N 3.33Å; L151-Y153 PolarHBondContact O-N 3.05Å; Y153-A156 PolarHBondContact O-N 3.49Å; Y153-S157 PolarHBondContact O-N 3.14Å; Y153-R175 HydrophobicContact CD1-CB 3.89Å; Y153-R175 HydrophobicContact CD2-CB 3.86Å; Y153-R175 HydrophobicContact CE1-CB 4.05Å; Y153-R175 HydrophobicContact CE1-CG 4.47Å; Y153-R175 HydrophobicContact CE2-CB 4.01Å; Y153-R175 HydrophobicContact CG-CB 3.81Å; Y153-L179 HydrophobicContact CD2-CD1 3.87Å; Y153-L179 HydrophobicContact CE2-CD1 3.57Å
154T95Very high92.4Very high0 Ų040 Ų400%019%0.193CC..Hα-helixtrans-61.7-46.1172.6-530000110.9M64 W150 L151 A156 S157 Y158M64-T154 HydrophobicContact CE-CG2 4.27Å; W150-T154 PolarHBondContact O-N 3.31Å; W150-T154 PolarHBondContact O-OG1 3.22Å; W150-T154 VanDerWaalsContact O-OG1 3.1Å; L151-T154 WeakPolarHBondContact O-CB 3.13Å; L151-T154 PolarHBondContact O-N 2.85Å; T154-A156 PolarHBondContact O-N 3.41Å; T154-S157 VanDerWaalsContact O-CB 3.31Å; T154-S157 WeakPolarHBondContact O-CB 3.48Å; T154-S157 PolarHBondContact O-N 2.88Å; T154-S157 VanDerWaalsContact O-N 3.08Å; T154-S157 PolarHBondContact O-OG 2.88Å; T154-Y158 PolarHBondContact O-N 3.36Å
155L94.1Very high92.5Very high0 Ų036.1 Ų36.10%018%0.179CC..Hα-helixtrans-66.9-33.2175.8-66.9-179.6000113.2L61 M64 F66 F135 I139 L151 M152 S157 Y158 Y159L61-L155 HydrophobicContact CD2-CD1 4.21Å; L61-L155 HydrophobicContact CD2-CD2 3.55Å; M64-L155 HydrophobicContact SD-CD2 4.14Å; F66-L155 HydrophobicContact CE2-CD1 4Å; F66-L155 HydrophobicContact CZ-CD1 3.74Å; F135-L155 HydrophobicContact CZ-CB 4.13Å; I139-L155 HydrophobicContact CD1-CB 3.81Å; I139-L155 HydrophobicContact CD1-CD1 3.89Å; I139-L155 HydrophobicContact CG1-CB 4.29Å; L151-L155 WeakPolarHBondContact O-CG 3.46Å; L151-L155 PolarHBondContact O-N 3.03Å; M152-L155 HydrophobicContact CE-CD1 4.12Å; M152-L155 HydrophobicContact SD-CD1 4.35Å; L155-S157 VanDerWaalsContact C-N 3.25Å; L155-S157 PolarHBondContact O-N 3.18Å; L155-Y158 HydrophobicContact CD2-CD2 4.16Å; L155-Y158 HydrophobicContact CD2-CE2 4.45Å; L155-Y158 WeakPolarHBondContact O-CB 3.48Å; L155-Y158 PolarHBondContact O-N 3.21Å; L155-Y158 VanDerWaalsContact O-N 3.16Å; L155-Y159 PolarHBondContact O-N 2.88Å
156A95.1Very high92.6Very high0 Ų027.2 Ų27.20%015%0.146CC..Hα-helixtrans-62.8-33170.600000111.9P86 I139 L143 M152 Y153 T154 Y158 Y159 W160 C172P86-A156 HydrophobicContact CB-CB 3.94Å; P86-A156 HydrophobicContact CG-CB 4.09Å; I139-A156 HydrophobicContact CG2-CB 3.93Å; L143-A156 HydrophobicContact CD1-CB 4.35Å; M152-A156 WeakPolarHBondContact O-CB 3.27Å; M152-A156 PolarHBondContact O-N 3.13Å; Y153-A156 PolarHBondContact O-N 3.49Å; T154-A156 PolarHBondContact O-N 3.41Å; A156-Y158 VanDerWaalsContact C-N 3.35Å; A156-Y159 PolarHBondContact O-N 2.69Å; A156-W160 PolarHBondContact O-N 3.41Å; A156-W160 VanDerWaalsContact O-N 3.11Å; A156-C172 HydrophobicContact CB-CB 4.14Å
157S95Very high92.7Very high0 Ų025.7 Ų25.70%014%0.141CC..Hα-helixtrans-64.5-37.3172.484.90000112.5Y153 T154 L155 Y159 W160 R161 L173 S191Y153-S157 PolarHBondContact O-N 3.14Å; T154-S157 VanDerWaalsContact O-CB 3.31Å; T154-S157 WeakPolarHBondContact O-CB 3.48Å; T154-S157 PolarHBondContact O-N 2.88Å; T154-S157 VanDerWaalsContact O-N 3.08Å; T154-S157 PolarHBondContact O-OG 2.88Å; L155-S157 VanDerWaalsContact C-N 3.25Å; L155-S157 PolarHBondContact O-N 3.18Å; S157-Y159 VanDerWaalsContact C-N 3.35Å; S157-Y159 PolarHBondContact O-N 3.08Å; S157-W160 PolarHBondContact O-N 3.19Å; S157-R161 WeakPolarHBondContact O-CB 3.42Å; S157-R161 VanDerWaalsContact O-CG 3.27Å; S157-R161 WeakPolarHBondContact O-CG 3.24Å; S157-R161 PolarHBondContact O-N 3.39Å; S157-L173 WeakPolarHBondContact OG-CD2 3.36Å; S157-S191 PolarHBondContact OG-OG 3.15Å
158Y93.7Very high92.8Very high2 Ų224.2 Ų24.21%0.00813%0.13CC..Hα-helixtrans-64.5-40.4177.2-71.87.7000111.3I58 V59 M64 T125 T154 L155 A156 S162I58-Y158 HydrophobicContact CB-CE2 3.99Å; I58-Y158 HydrophobicContact CG2-CD2 4.47Å; I58-Y158 HydrophobicContact CG2-CE1 4.15Å; I58-Y158 HydrophobicContact CG2-CE2 4.11Å; V59-Y158 PolarHBondContact N-OH 3.23Å; V59-Y158 PolarHBondContact O-OH 2.85Å; M64-Y158 HydrophobicContact CE-CE2 3.85Å; M64-Y158 WeakPolarHBondContact CE-OH 3.36Å; T125-Y158 HydrophobicContact CG2-CD2 4.17Å; T154-Y158 PolarHBondContact O-N 3.36Å; L155-Y158 HydrophobicContact CD2-CD2 4.16Å; L155-Y158 HydrophobicContact CD2-CE2 4.45Å; L155-Y158 WeakPolarHBondContact O-CB 3.48Å; L155-Y158 PolarHBondContact O-N 3.21Å; L155-Y158 VanDerWaalsContact O-N 3.16Å; A156-Y158 VanDerWaalsContact C-N 3.35Å; Y158-S162 WeakPolarHBondContact O-CB 3.35Å; Y158-S162 PolarHBondContact O-N 2.83Å; Y158-S162 PolarHBondContact O-OG 2.86Å
159Y93.7Very high93.1Very high22 Ų2217.2 Ų17.29%0.08610%0.097CC..Hα-helixtrans-57.1-53.1170.4173-98.6000111.4T85 P86 P132 F135 L155 A156 S157 R161 S162 V163T85-Y159 HydrophobicContact CG2-CE1 4.26Å; T85-Y159 WeakPolarHBondContact CG2-OH 3.37Å; P86-Y159 HydrophobicContact CG-CD1 3.65Å; P86-Y159 HydrophobicContact CG-CE1 4.25Å; P86-Y159 HydrophobicContact CG-CG 4.18Å; P132-Y159 VanDerWaalsContact O-CD2 3.31Å; P132-Y159 WeakPolarHBondContact O-CD2 3.5Å; P132-Y159 VanDerWaalsContact O-CE2 3.24Å; P132-Y159 WeakPolarHBondContact O-CE2 3.29Å; F135-Y159 HydrophobicContact CD1-CD2 4.4Å; L155-Y159 PolarHBondContact O-N 2.88Å; A156-Y159 PolarHBondContact O-N 2.69Å; S157-Y159 VanDerWaalsContact C-N 3.35Å; S157-Y159 PolarHBondContact O-N 3.08Å; Y159-R161 PolarHBondContact O-N 2.94Å; Y159-S162 PolarHBondContact O-N 3.17Å; Y159-S162 PolarHBondContact O-OG 3.4Å; Y159-V163 HydrophobicContact CE1-CG2 4.2Å; Y159-V163 HydrophobicContact CE2-CG2 4.05Å; Y159-V163 WeakPolarHBondContact O-CG2 3.36Å; Y159-V163 PolarHBondContact O-N 2.91Å; Y159-V163 VanDerWaalsContact O-N 3.14Å
160W94.3Very high93.3Very high18 Ų1816.1 Ų16.17%0.0689%0.09CC..Hα-helixtrans-67.7-33.4-176.8-70.5120.9000114T85 P86 R87 A156 S157 V163 G164 N165 E168 A169 C172T85-W160 HydrophobicContact CG2-CH2 4.32Å; P86-W160 PolarHBondContact O-NE1 2.91Å; R87-W160 HydrophobicContact CG-CH2 4.44Å; R87-W160 HydrophobicContact CG-CZ2 3.96Å; A156-W160 PolarHBondContact O-N 3.41Å; A156-W160 VanDerWaalsContact O-N 3.11Å; S157-W160 PolarHBondContact O-N 3.19Å; W160-V163 HydrophobicContact CE3-CG1 4.38Å; W160-V163 CarbonylContact O-C 3.39Å; W160-V163 PolarHBondContact O-N 3.36Å; W160-G164 PolarHBondContact O-N 3.38Å; W160-N165 HydrophobicContact CE3-CB 3.81Å; W160-N165 HydrophobicContact CZ3-CB 4.31Å; W160-N165 PolarHBondContact O-N 2.89Å; W160-E168 HydrophobicContact CB-CB 4.46Å; W160-E168 HydrophobicContact CD2-CB 3.53Å; W160-E168 HydrophobicContact CD2-CG 4.35Å; W160-E168 HydrophobicContact CE3-CB 4.02Å; W160-E168 HydrophobicContact CG-CB 3.75Å; W160-E168 HydrophobicContact CH2-CB 4.44Å; W160-E168 HydrophobicContact CH2-CG 4.24Å; W160-E168 HydrophobicContact CZ2-CB 4.05Å; W160-E168 HydrophobicContact CZ2-CG 4.1Å; W160-E168 HydrophobicContact CZ3-CB 4.44Å; W160-E168 HydrophobicContact CZ3-CG 4.46Å; W160-A169 HydrophobicContact CB-CB 3.74Å; W160-C172 VanDerWaalsContact CD1-SG 3.56Å
161R93Very high93.4Very high4 Ų416.3 Ų16.32%0.0159%0.092CC..Hα-helixtrans-61.1-47.7169.9-75.8172.764.2-168.5-6.6112S57 E118 I121 S157 Y159 V163 G164 A169 S191 N194 V195S57-R161 PolarHBondContact O-NH1 3.12Å; S57-R161 VanDerWaalsContact O-NH1 3.15Å; S57-R161 PolarHBondContact O-NH2 2.7Å; E118-R161 PolarHBondContact N-O 3.13Å; E118-R161 WeakPolarHBondContact OE1-CB 3.44Å; E118-R161 WeakPolarHBondContact OE1-CG 3.39Å; E118-R161 IonicContact OE1-CZ 3Å; E118-R161 IonicContact OE1-NE 2.73Å; E118-R161 PolarHBondContact OE1-NE 2.7Å; E118-R161 IonicContact OE1-NH2 3.29Å; E118-R161 PolarHBondContact OE1-NH2 2.93Å; E118-R161 IonicContact OE2-CZ 2.81Å; E118-R161 IonicContact OE2-NE 3.07Å; E118-R161 IonicContact OE2-NH2 3.83Å; E118-R161 PolarHBondContact OE2-NH2 3.38Å; I121-R161 HydrophobicContact CD1-CB 3.5Å; I121-R161 HydrophobicContact CD1-CG 4.46Å; S157-R161 WeakPolarHBondContact O-CB 3.42Å; S157-R161 VanDerWaalsContact O-CG 3.27Å; S157-R161 WeakPolarHBondContact O-CG 3.24Å; S157-R161 PolarHBondContact O-N 3.39Å; Y159-R161 PolarHBondContact O-N 2.94Å; R161-V163 PolarHBondContact O-N 3.45Å; R161-G164 PolarHBondContact O-N 2.9Å; R161-A169 HydrophobicContact CG-CB 4.32Å; R161-S191 VanDerWaalsContact CD-OG 3.32Å; R161-S191 WeakPolarHBondContact CD-OG 3.23Å; R161-S191 PolarHBondContact NH1-OG 2.64Å; R161-S191 VanDerWaalsContact NH1-OG 3.09Å; R161-N194 VanDerWaalsContact CZ-CB 3.49Å; R161-N194 VanDerWaalsContact NH2-CB 3.3Å; R161-N194 VanDerWaalsContact NH2-CG 3.27Å; R161-N194 PolarHBondContact NH2-OD1 3.49Å; R161-V195 HydrophobicContact CG-CG2 3.55Å
162S91.1Very high93.5Very high12 Ų1214.9 Ų14.98%0.0848%0.084CC..Hα-helixtrans-63-23.1176.275.40000113.9F126 Y158 Y159F126-S162 WeakPolarHBondContact CE2-OG 3.45Å; Y158-S162 WeakPolarHBondContact O-CB 3.35Å; Y158-S162 PolarHBondContact O-N 2.83Å; Y158-S162 PolarHBondContact O-OG 2.86Å; Y159-S162 PolarHBondContact O-N 3.17Å; Y159-S162 PolarHBondContact O-OG 3.4Å
163V89.7Confident93.6Very high64 Ų6414.5 Ų14.539%0.3888%0.083SC..Hα-helixtrans-89.8-14.7175.8171.80000112.2Y159 W160 R161Y159-V163 HydrophobicContact CE1-CG2 4.2Å; Y159-V163 HydrophobicContact CE2-CG2 4.05Å; Y159-V163 WeakPolarHBondContact O-CG2 3.36Å; Y159-V163 PolarHBondContact O-N 2.91Å; Y159-V163 VanDerWaalsContact O-N 3.14Å; W160-V163 HydrophobicContact CE3-CG1 4.38Å; W160-V163 CarbonylContact O-C 3.39Å; W160-V163 PolarHBondContact O-N 3.36Å; R161-V163 PolarHBondContact O-N 3.45Å
164G88.6Confident93.5Very high15 Ų1515.5 Ų15.516%0.1559%0.087CC..THydrogen-bonded Turntrans79.810.2-175.500000115S115 W160 R161 S166S115-G164 PolarHBondContact OG-O 2.87Å; W160-G164 PolarHBondContact O-N 3.38Å; R161-G164 PolarHBondContact O-N 2.9Å; G164-S166 PolarHBondContact O-N 3.18Å
165N91.9Very high93.5Very high54 Ų5415.9 Ų15.929%0.2899%0.088SC..  trans-92.581.4177.4-171.5-16.9000111W160 S167 E168 A169W160-N165 HydrophobicContact CE3-CB 3.81Å; W160-N165 HydrophobicContact CZ3-CB 4.31Å; W160-N165 PolarHBondContact O-N 2.89Å; N165-S167 PolarHBondContact O-N 2.88Å; N165-S167 PolarHBondContact OD1-N 3.12Å; N165-S167 PolarHBondContact OD1-OG 3.38Å; N165-E168 PolarHBondContact O-N 3.21Å; N165-E168 PolarHBondContact OD1-N 3.4Å; N165-A169 PolarHBondContact O-N 3.44Å; N165-A169 VanDerWaalsContact O-N 3.08Å
166S92Very high93.5Very high5 Ų515.9 Ų15.94%0.0359%0.088CC..Hα-helixtrans-55.5-35.9176.1-84.20000113.8I113 S115 G164 E168 A169 V170I113-S166 VanDerWaalsContact CG2-CB 3.42Å; I113-S166 WeakPolarHBondContact CG2-OG 3.28Å; I113-S166 WeakPolarHBondContact O-CB 3.37Å; S115-S166 WeakPolarHBondContact CB-OG 3.44Å; S115-S166 WeakPolarHBondContact OG-CB 3.39Å; S115-S166 PolarHBondContact OG-OG 3.05Å; G164-S166 PolarHBondContact O-N 3.18Å; S166-E168 PolarHBondContact O-N 3.23Å; S166-A169 WeakPolarHBondContact O-CB 3.37Å; S166-A169 PolarHBondContact O-N 2.93Å; S166-V170 WeakPolarHBondContact O-CG2 3.38Å; S166-V170 PolarHBondContact O-N 3.24Å
167S93Very high93.4Very high44 Ų4416.3 Ų16.331%0.3089%0.09SC..Hα-helixtrans-61.9-46-176.876.40000112.6P110 N165 Q171P110-S167 WeakPolarHBondContact O-CB 3.44Å; N165-S167 PolarHBondContact O-N 2.88Å; N165-S167 PolarHBondContact OD1-N 3.12Å; N165-S167 PolarHBondContact OD1-OG 3.38Å; S167-Q171 WeakPolarHBondContact O-CG 3.4Å; S167-Q171 PolarHBondContact O-N 2.88Å; S167-Q171 VanDerWaalsContact O-N 3.13Å
168E93.3Very high93.2Very high18 Ų1818.8 Ų18.88%0.08410%0.101CC..Hα-helixtrans-73.8-32.9175.3-71.7-77.3178.200111.7R87 W160 N165 S166 Q171 C172R87-E168 IonicContact CZ-OE1 3.12Å; R87-E168 IonicContact NE-OE1 2.76Å; R87-E168 PolarHBondContact NE-OE1 2.98Å; R87-E168 IonicContact NE-OE2 4Å; R87-E168 IonicContact NH2-OE1 2.7Å; R87-E168 PolarHBondContact NH2-OE1 3.38Å; W160-E168 HydrophobicContact CB-CB 4.46Å; W160-E168 HydrophobicContact CD2-CB 3.53Å; W160-E168 HydrophobicContact CD2-CG 4.35Å; W160-E168 HydrophobicContact CE3-CB 4.02Å; W160-E168 HydrophobicContact CG-CB 3.75Å; W160-E168 HydrophobicContact CH2-CB 4.44Å; W160-E168 HydrophobicContact CH2-CG 4.24Å; W160-E168 HydrophobicContact CZ2-CB 4.05Å; W160-E168 HydrophobicContact CZ2-CG 4.1Å; W160-E168 HydrophobicContact CZ3-CB 4.44Å; W160-E168 HydrophobicContact CZ3-CG 4.46Å; N165-E168 PolarHBondContact O-N 3.21Å; N165-E168 PolarHBondContact OD1-N 3.4Å; S166-E168 PolarHBondContact O-N 3.23Å; E168-Q171 PolarHBondContact O-N 3.47Å; E168-C172 PolarHBondContact O-N 2.91Å; E168-C172 PolarHBondContact O-SG 2.92Å
169A95.2Very high93Very high0 Ų020.8 Ų20.80%011%0.112CC..Hα-helixtrans-58.8-48.9173.400000111.5W160 R161 N165 S166 Q171 C172 L173 V195W160-A169 HydrophobicContact CB-CB 3.74Å; R161-A169 HydrophobicContact CG-CB 4.32Å; N165-A169 PolarHBondContact O-N 3.44Å; N165-A169 VanDerWaalsContact O-N 3.08Å; S166-A169 WeakPolarHBondContact O-CB 3.37Å; S166-A169 PolarHBondContact O-N 2.93Å; A169-Q171 PolarHBondContact O-N 2.65Å; A169-C172 PolarHBondContact O-N 2.75Å; A169-L173 VanDerWaalsContact O-CG 3.28Å; A169-L173 WeakPolarHBondContact O-CG 3.33Å; A169-L173 PolarHBondContact O-N 2.84Å; A169-V195 HydrophobicContact CB-CG2 4.02Å
170V94.9Very high92.8Very high0 Ų020.6 Ų20.60%011%0.112CC..Hα-helixtrans-62.9-41.2174.61760000111.3V107 P110 I113 S166 C172 L173 R174 L192 V195V107-V170 HydrophobicContact CG1-CG1 4.13Å; P110-V170 HydrophobicContact CB-CB 3.96Å; P110-V170 HydrophobicContact CB-CG1 4.17Å; P110-V170 HydrophobicContact CB-CG2 4.44Å; P110-V170 HydrophobicContact CG-CB 4.01Å; P110-V170 HydrophobicContact CG-CG1 3.71Å; I113-V170 HydrophobicContact CD1-CG2 3.62Å; S166-V170 WeakPolarHBondContact O-CG2 3.38Å; S166-V170 PolarHBondContact O-N 3.24Å; V170-C172 VanDerWaalsContact C-N 3.27Å; V170-C172 PolarHBondContact O-N 2.75Å; V170-L173 PolarHBondContact O-N 3.47Å; V170-L173 VanDerWaalsContact O-N 3.09Å; V170-R174 HydrophobicContact CG1-CG 4.04Å; V170-R174 VanDerWaalsContact O-CG 3.29Å; V170-R174 WeakPolarHBondContact O-CG 3.3Å; V170-R174 PolarHBondContact O-N 2.92Å; V170-L192 HydrophobicContact CG2-CD1 4.07Å; V170-V195 HydrophobicContact CG2-CG1 3.58Å
171Q93.9Very high92.4Very high46 Ų4621.9 Ų21.922%0.21512%0.123CC..Hα-helixtrans-59.2-38.2175.8-71.5-63.6-16.300112.4S167 E168 A169 R175S167-Q171 WeakPolarHBondContact O-CG 3.4Å; S167-Q171 PolarHBondContact O-N 2.88Å; S167-Q171 VanDerWaalsContact O-N 3.13Å; E168-Q171 PolarHBondContact O-N 3.47Å; A169-Q171 PolarHBondContact O-N 2.65Å; Q171-R175 WeakPolarHBondContact O-CD 3.31Å; Q171-R175 PolarHBondContact O-NH1 2.98Å
172C95.7Very high91.8Very high0 Ų028.6 Ų28.60%015%0.149CC..Hα-helixtrans-67.3-45.7171.6-62.10000111.8C88 A156 W160 E168 A169 V170 R174 R175 A176C88-C172 HydrophobicContact CB-CB 3.86Å; C88-C172 WeakPolarHBondContact CB-SG 3.09Å; C88-C172 VanDerWaalsContact SG-CA 3.55Å; C88-C172 WeakPolarHBondContact SG-CB 3.4Å; C88-C172 CovalentContact SG-SG 2.03Å; C88-C172 PolarHBondContact SG-SG 3.43Å; A156-C172 HydrophobicContact CB-CB 4.14Å; W160-C172 VanDerWaalsContact CD1-SG 3.56Å; E168-C172 PolarHBondContact O-N 2.91Å; E168-C172 PolarHBondContact O-SG 2.92Å; A169-C172 PolarHBondContact O-N 2.75Å; V170-C172 VanDerWaalsContact C-N 3.27Å; V170-C172 PolarHBondContact O-N 2.75Å; C172-R174 PolarHBondContact O-N 3.22Å; C172-R175 WeakPolarHBondContact O-CB 3.48Å; C172-R175 PolarHBondContact O-N 3.29Å; C172-R175 VanDerWaalsContact O-N 3.09Å; C172-A176 PolarHBondContact O-N 2.97Å
173L96.1Very high91.4Very high0 Ų035.5 Ų35.50%018%0.179CC..Hα-helixtrans-64.2-37.3-178.4-69.8166.1000113.7S157 A169 V170 R175 A176 L177 P188 L192 V195S157-L173 WeakPolarHBondContact OG-CD2 3.36Å; A169-L173 VanDerWaalsContact O-CG 3.28Å; A169-L173 WeakPolarHBondContact O-CG 3.33Å; A169-L173 PolarHBondContact O-N 2.84Å; V170-L173 PolarHBondContact O-N 3.47Å; V170-L173 VanDerWaalsContact O-N 3.09Å; L173-R175 PolarHBondContact O-N 2.75Å; L173-A176 WeakPolarHBondContact O-CB 3.22Å; L173-A176 PolarHBondContact O-N 3.17Å; L173-A176 VanDerWaalsContact O-N 3.15Å; L173-L177 WeakPolarHBondContact O-CB 3.4Å; L173-L177 WeakPolarHBondContact O-CG 3.15Å; L173-L177 PolarHBondContact O-N 3.48Å; L173-P188 HydrophobicContact CD2-CB 3.78Å; L173-L192 HydrophobicContact CD1-CB 4.04Å; L173-L192 HydrophobicContact CD1-CD1 4.24Å; L173-V195 HydrophobicContact CD1-CG2 4.24Å
174R94.7Very high91.3Very high22 Ų2237.9 Ų37.98%0.08318%0.182CC..Hα-helixtrans-54.7-39172.4-72.1172.372-125.1-6.4111.8L94 A100 D102 V107 V170 C172 H178L94-R174 HydrophobicContact CD2-CB 4.08Å; L94-R174 WeakPolarHBondContact CD2-O 3.44Å; A100-R174 HydrophobicContact CB-CB 3.97Å; A100-R174 HydrophobicContact CB-CG 4.29Å; A100-R174 VanDerWaalsContact CB-O 3.32Å; A100-R174 WeakPolarHBondContact CB-O 3.44Å; D102-R174 IonicContact OD1-CZ 3.66Å; D102-R174 IonicContact OD1-NE 3.45Å; D102-R174 PolarHBondContact OD1-NE 3.14Å; D102-R174 IonicContact OD1-NH2 3.27Å; D102-R174 PolarHBondContact OD1-NH2 3.11Å; D102-R174 IonicContact OD2-CZ 3.35Å; D102-R174 IonicContact OD2-NE 3.63Å; D102-R174 IonicContact OD2-NH2 2.9Å; D102-R174 PolarHBondContact OD2-NH2 3.48Å; V107-R174 HydrophobicContact CG1-CG 3.8Å; V170-R174 HydrophobicContact CG1-CG 4.04Å; V170-R174 VanDerWaalsContact O-CG 3.29Å; V170-R174 WeakPolarHBondContact O-CG 3.3Å; V170-R174 PolarHBondContact O-N 2.92Å; C172-R174 PolarHBondContact O-N 3.22Å; R174-H178 WeakPolarHBondContact O-CB 3.45Å; R174-H178 PolarHBondContact O-N 2.91Å; R174-H178 VanDerWaalsContact O-N 3.08Å
175R94Very high91.3Very high8 Ų837.5 Ų37.53%0.0318%0.177CC..Hα-helixtrans-77.2-37.6178-69.4156176.777.811.5112.2C88 M92 L94 Y153 Q171 C172 L173 L179C88-R175 WeakPolarHBondContact O-CD 3.35Å; C88-R175 PolarHBondContact O-NE 3.26Å; C88-R175 VanDerWaalsContact O-NE 3.1Å; M92-R175 VanDerWaalsContact O-CZ 3.29Å; M92-R175 PolarHBondContact O-NE 2.98Å; M92-R175 PolarHBondContact O-NH2 3.01Å; L94-R175 HydrophobicContact CB-CG 4.27Å; L94-R175 HydrophobicContact CD2-CG 4Å; Y153-R175 HydrophobicContact CD1-CB 3.89Å; Y153-R175 HydrophobicContact CD2-CB 3.86Å; Y153-R175 HydrophobicContact CE1-CB 4.05Å; Y153-R175 HydrophobicContact CE1-CG 4.47Å; Y153-R175 HydrophobicContact CE2-CB 4.01Å; Y153-R175 HydrophobicContact CG-CB 3.81Å; Q171-R175 WeakPolarHBondContact O-CD 3.31Å; Q171-R175 PolarHBondContact O-NH1 2.98Å; C172-R175 WeakPolarHBondContact O-CB 3.48Å; C172-R175 PolarHBondContact O-N 3.29Å; C172-R175 VanDerWaalsContact O-N 3.09Å; L173-R175 PolarHBondContact O-N 2.75Å; R175-L179 WeakPolarHBondContact O-CB 3.19Å; R175-L179 WeakPolarHBondContact O-CD1 3.09Å; R175-L179 WeakPolarHBondContact O-CG 3.45Å; R175-L179 PolarHBondContact O-N 2.94Å
176A94.6Very high91.3Very high0 Ų035.5 Ų35.50%017%0.167CC..Hα-helixtrans-57.6-56.5170.800000110.5C172 L173 H178 L179 I180 P188C172-A176 PolarHBondContact O-N 2.97Å; L173-A176 WeakPolarHBondContact O-CB 3.22Å; L173-A176 PolarHBondContact O-N 3.17Å; L173-A176 VanDerWaalsContact O-N 3.15Å; A176-H178 VanDerWaalsContact C-N 3.32Å; A176-H178 PolarHBondContact O-N 3.32Å; A176-L179 PolarHBondContact O-N 3.29Å; A176-I180 VanDerWaalsContact O-CB 3.3Å; A176-I180 WeakPolarHBondContact O-CB 3.43Å; A176-I180 PolarHBondContact O-N 3.15Å; A176-P188 HydrophobicContact CB-CB 3.82Å; A176-P188 HydrophobicContact CB-CG 4.32Å
177L93.5Very high91.2Very high9 Ų936.3 Ų36.35%0.04717%0.17CC..Hα-helixtrans-59.1-36.2179.7-70.2169.2000113.5L101 L173 L179 V185 P188 L189 L192L101-L177 HydrophobicContact CD1-CD1 4.48Å; L101-L177 HydrophobicContact CG-CD1 4.47Å; L173-L177 WeakPolarHBondContact O-CB 3.4Å; L173-L177 WeakPolarHBondContact O-CG 3.15Å; L173-L177 PolarHBondContact O-N 3.48Å; L177-L179 VanDerWaalsContact C-N 3.31Å; L177-L179 PolarHBondContact O-N 3.24Å; L177-V185 HydrophobicContact CD2-CG2 4.35Å; L177-P188 HydrophobicContact CD2-CB 4.06Å; L177-P188 HydrophobicContact CD2-CG 3.7Å; L177-P188 HydrophobicContact CG-CB 4.14Å; L177-P188 HydrophobicContact CG-CG 4.2Å; L177-L189 HydrophobicContact CD1-CD2 4.45Å; L177-L189 HydrophobicContact CD2-CD2 3.69Å; L177-L189 HydrophobicContact CD2-CG 3.8Å; L177-L192 HydrophobicContact CD1-CD2 3.93Å
178H90.6Very high91.3Very high51 Ų5134.2 Ų34.224%0.23616%0.156CC..Hα-helixtrans-68.2-28.3175.9-173.886.5000113.8L94 S97 R174 A176L94-H178 HydrophobicContact CD1-CB 4.2Å; L94-H178 HydrophobicContact CD2-CB 3.91Å; S97-H178 PolarHBondContact OG-ND1 2.96Å; R174-H178 WeakPolarHBondContact O-CB 3.45Å; R174-H178 PolarHBondContact O-N 2.91Å; R174-H178 VanDerWaalsContact O-N 3.08Å; A176-H178 VanDerWaalsContact C-N 3.32Å; A176-H178 PolarHBondContact O-N 3.32Å
179L89.2Confident91.3Very high45 Ų4533.5 Ų33.524%0.23615%0.152CC..Hα-helixtrans-105.2-9.3-173-68.7169.7000114.2M92 W150 Y153 R175 A176 L177M92-L179 HydrophobicContact CE-CD2 4.2Å; M92-L179 HydrophobicContact SD-CD1 3.89Å; M92-L179 HydrophobicContact SD-CD2 4.27Å; M92-L179 HydrophobicContact SD-CG 4.34Å; W150-L179 HydrophobicContact CB-CB 3.91Å; Y153-L179 HydrophobicContact CD2-CD1 3.87Å; Y153-L179 HydrophobicContact CE2-CD1 3.57Å; R175-L179 WeakPolarHBondContact O-CB 3.19Å; R175-L179 WeakPolarHBondContact O-CD1 3.09Å; R175-L179 WeakPolarHBondContact O-CG 3.45Å; R175-L179 PolarHBondContact O-N 2.94Å; A176-L179 PolarHBondContact O-N 3.29Å; L177-L179 VanDerWaalsContact C-N 3.31Å; L177-L179 PolarHBondContact O-N 3.24Å
180I90Very high91.3Very high17 Ų1733.5 Ų33.59%0.08715%0.153CC..  trans-80.2137.7-167-161.1156.5000113.3W150 A176 Y184 V185 P188W150-I180 HydrophobicContact CB-CB 4.12Å; W150-I180 HydrophobicContact CB-CG1 4.41Å; W150-I180 HydrophobicContact CD2-CB 4.33Å; W150-I180 HydrophobicContact CD2-CD1 3.73Å; W150-I180 HydrophobicContact CD2-CG1 3.64Å; W150-I180 HydrophobicContact CE3-CD1 3.25Å; W150-I180 HydrophobicContact CE3-CG1 3.75Å; W150-I180 HydrophobicContact CG-CB 4.14Å; W150-I180 HydrophobicContact CG-CD1 4.38Å; W150-I180 HydrophobicContact CG-CG1 3.95Å; W150-I180 HydrophobicContact CH2-CD1 4.28Å; W150-I180 HydrophobicContact CZ3-CD1 3.57Å; W150-I180 HydrophobicContact CZ3-CG1 4.28Å; A176-I180 VanDerWaalsContact O-CB 3.3Å; A176-I180 WeakPolarHBondContact O-CB 3.43Å; A176-I180 PolarHBondContact O-N 3.15Å; I180-Y184 VanDerWaalsContact CD1-C 3.49Å; I180-Y184 WeakPolarHBondContact CD1-O 3.33Å; I180-V185 HydrophobicContact CG2-CB 4.17Å; I180-V185 HydrophobicContact CG2-CG2 3.93Å; I180-P188 HydrophobicContact CD1-CG 3.46Å; I180-P188 VanDerWaalsContact CD1-CG 3.46Å
181P86.3Confident91.3Very high46 Ų4633.6 Ų33.630%0.29915%0.153SC..  trans-64.6145.7164.8-19.232.2000111.2E183 Y184 V185P181-E183 PolarHBondContact O-N 3.29Å; P181-E183 VanDerWaalsContact O-N 3.09Å; P181-Y184 HydrophobicContact CB-CD2 4.32Å; P181-Y184 HydrophobicContact CG-CD2 4.43Å; P181-Y184 PolarHBondContact O-N 3.13Å; P181-V185 PolarHBondContact O-N 2.76Å
182R79.9Confident91.3Very high145 Ų14531.4 Ų31.455%0.54714%0.143SC..G310 helixtrans-51.8-36.9-177.5-176.3179.2174.4-173.1-1.2113.8Y184 V185 F215R182-Y184 PolarHBondContact O-N 3.46Å; R182-V185 VanDerWaalsContact O-CG1 3.23Å; R182-V185 WeakPolarHBondContact O-CG1 3.48Å; R182-V185 PolarHBondContact O-N 3.46Å; R182-F215 HydrophobicContact CG-CD1 4.22Å; R182-F215 HydrophobicContact CG-CE1 3.87Å
183E81.9Confident91.2Very high156 Ų15631.4 Ų31.473%0.72914%0.143SC*.G310 helixtrans-59.5-29.9-179.4-69.4158.7-149.500113.7P181P181-E183 PolarHBondContact O-N 3.29Å; P181-E183 VanDerWaalsContact O-N 3.09Å
184Y87.2Confident91Very high114 Ų11431.4 Ų31.445%0.44714%0.143SC..G310 helixtrans-108.60.3-176.1-59.4-76.2000113.7W150 I180 P181 R182 V186 L187W150-Y184 HydrophobicContact CH2-CD1 4.08Å; W150-Y184 HydrophobicContact CH2-CD2 4.36Å; W150-Y184 AromaticContact CH2-CG 3.73Å; W150-Y184 HydrophobicContact CH2-CG 3.73Å; W150-Y184 HydrophobicContact CZ2-CD1 4.3Å; W150-Y184 AromaticContact CZ2-CD2 3.83Å; W150-Y184 HydrophobicContact CZ2-CD2 3.83Å; W150-Y184 AromaticContact CZ2-CG 3.69Å; W150-Y184 HydrophobicContact CZ2-CG 3.69Å; I180-Y184 VanDerWaalsContact CD1-C 3.49Å; I180-Y184 WeakPolarHBondContact CD1-O 3.33Å; P181-Y184 HydrophobicContact CB-CD2 4.32Å; P181-Y184 HydrophobicContact CG-CD2 4.43Å; P181-Y184 PolarHBondContact O-N 3.13Å; R182-Y184 PolarHBondContact O-N 3.46Å; Y184-V186 PolarHBondContact O-N 2.9Å; Y184-L187 HydrophobicContact CD1-CD1 4.3Å; Y184-L187 PolarHBondContact O-N 3.44Å
185V89.2Confident90.9Very high8 Ų830.4 Ų30.45%0.04814%0.139CC..THydrogen-bonded Turntrans-53.1-30.5-172.474.30000113.6L177 I180 P181 R182 L187 P188 L189 F215L177-V185 HydrophobicContact CD2-CG2 4.35Å; I180-V185 HydrophobicContact CG2-CB 4.17Å; I180-V185 HydrophobicContact CG2-CG2 3.93Å; P181-V185 PolarHBondContact O-N 2.76Å; R182-V185 VanDerWaalsContact O-CG1 3.23Å; R182-V185 WeakPolarHBondContact O-CG1 3.48Å; R182-V185 PolarHBondContact O-N 3.46Å; V185-L187 VanDerWaalsContact C-N 3.26Å; V185-L187 PolarHBondContact O-N 3.14Å; V185-P188 VanDerWaalsContact O-CD 3.27Å; V185-P188 WeakPolarHBondContact O-CD 3.44Å; V185-P188 WeakPolarHBondContact O-CG 3.32Å; V185-L189 HydrophobicContact CG1-CD1 4.27Å; V185-L189 HydrophobicContact CG2-CD1 3.91Å; V185-L189 HydrophobicContact CG2-CG 4.3Å; V185-L189 WeakPolarHBondContact O-CB 3.46Å; V185-L189 VanDerWaalsContact O-CG 3.26Å; V185-L189 WeakPolarHBondContact O-CG 3.2Å; V185-L189 PolarHBondContact O-N 3.22Å; V185-F215 HydrophobicContact CG1-CB 3.89Å; V185-F215 HydrophobicContact CG1-CD1 3.65Å; V185-F215 HydrophobicContact CG1-CD2 3.54Å; V185-F215 HydrophobicContact CG1-CE1 4.01Å; V185-F215 HydrophobicContact CG1-CE2 3.91Å; V185-F215 HydrophobicContact CG1-CG 3.4Å; V185-F215 VanDerWaalsContact CG1-CG 3.4Å; V185-F215 HydrophobicContact CG1-CZ 4.13Å; V185-F215 HydrophobicContact CG2-CE2 4.49Å
186V91.3Very high90.8Very high11 Ų1130 Ų307%0.06714%0.138CC..Hα-helixtrans-58.7-32.8178.4176.10000112.8Y184 L189 L190 F215 N216 L219 L222Y184-V186 PolarHBondContact O-N 2.9Å; V186-L189 PolarHBondContact O-N 2.79Å; V186-L190 WeakPolarHBondContact O-CB 3.25Å; V186-L190 PolarHBondContact O-N 2.9Å; V186-F215 HydrophobicContact CG2-CB 3.74Å; V186-N216 HydrophobicContact CG1-CB 4.45Å; V186-N216 HydrophobicContact CG2-CB 3.63Å; V186-L219 HydrophobicContact CG1-CD2 3.71Å; V186-L222 HydrophobicContact CG1-CD2 3.9Å
187L91.8Very high90.6Very high22 Ų2230.2 Ų30.212%0.11514%0.139CC..Hα-helixtrans-65.3-55.4-175.4-59177.3000113.3V59 M64 W150 Y184 V185 S191V59-L187 HydrophobicContact CB-CD2 3.9Å; V59-L187 HydrophobicContact CG1-CD2 3.91Å; V59-L187 HydrophobicContact CG2-CD2 3.72Å; M64-L187 HydrophobicContact CG-CD1 4.22Å; W150-L187 HydrophobicContact CH2-CD1 3.99Å; W150-L187 HydrophobicContact CZ3-CD1 4.03Å; Y184-L187 HydrophobicContact CD1-CD1 4.3Å; Y184-L187 PolarHBondContact O-N 3.44Å; V185-L187 VanDerWaalsContact C-N 3.26Å; V185-L187 PolarHBondContact O-N 3.14Å; L187-S191 PolarHBondContact O-N 2.97Å
188P93.9Very high90.3Very high0 Ų030.8 Ų30.80%014%0.143CC..Hα-helixtrans-71-27.4172.730.1-37.6000113L173 A176 L177 I180 V185 S191 L192L173-P188 HydrophobicContact CD2-CB 3.78Å; A176-P188 HydrophobicContact CB-CB 3.82Å; A176-P188 HydrophobicContact CB-CG 4.32Å; L177-P188 HydrophobicContact CD2-CB 4.06Å; L177-P188 HydrophobicContact CD2-CG 3.7Å; L177-P188 HydrophobicContact CG-CB 4.14Å; L177-P188 HydrophobicContact CG-CG 4.2Å; I180-P188 HydrophobicContact CD1-CG 3.46Å; I180-P188 VanDerWaalsContact CD1-CG 3.46Å; V185-P188 VanDerWaalsContact O-CD 3.27Å; V185-P188 WeakPolarHBondContact O-CD 3.44Å; V185-P188 WeakPolarHBondContact O-CG 3.32Å; P188-S191 PolarHBondContact O-N 2.8Å; P188-L192 WeakPolarHBondContact O-CB 3.2Å; P188-L192 PolarHBondContact O-N 2.89Å
189L94.7Very high90.1Very high3 Ų328.8 Ų28.82%0.01614%0.135CC..Hα-helixtrans-63.5-43.2173.3-73.5174.7000111.5L101 L177 V185 V186 L192 L193 V208 I211 A212 F215L101-L189 HydrophobicContact CD1-CD2 3.78Å; L177-L189 HydrophobicContact CD1-CD2 4.45Å; L177-L189 HydrophobicContact CD2-CD2 3.69Å; L177-L189 HydrophobicContact CD2-CG 3.8Å; V185-L189 HydrophobicContact CG1-CD1 4.27Å; V185-L189 HydrophobicContact CG2-CD1 3.91Å; V185-L189 HydrophobicContact CG2-CG 4.3Å; V185-L189 WeakPolarHBondContact O-CB 3.46Å; V185-L189 VanDerWaalsContact O-CG 3.26Å; V185-L189 WeakPolarHBondContact O-CG 3.2Å; V185-L189 PolarHBondContact O-N 3.22Å; V186-L189 PolarHBondContact O-N 2.79Å; L189-L192 PolarHBondContact O-N 3.39Å; L189-L193 WeakPolarHBondContact O-CB 3.38Å; L189-L193 PolarHBondContact O-N 3.02Å; L189-V208 HydrophobicContact CD2-CG1 4.21Å; L189-V208 WeakPolarHBondContact O-CG1 3.18Å; L189-I211 HydrophobicContact CD1-CG2 3.93Å; L189-I211 HydrophobicContact CD2-CG2 4.32Å; L189-A212 HydrophobicContact CB-CB 3.99Å; L189-A212 HydrophobicContact CD1-CB 4.2Å; L189-F215 HydrophobicContact CD1-CD2 3.99Å; L189-F215 HydrophobicContact CD1-CE2 4.32Å
190L94Very high89.9Confident1 Ų132.6 Ų32.61%0.00516%0.156CC..Hα-helixtrans-61.7-44.2173.6178.953.7000111.5S57 V59 V186 L192 L193 N194 L219 L222 T225S57-L190 WeakPolarHBondContact OG-CD1 3.33Å; V59-L190 HydrophobicContact CG2-CD2 4.16Å; V186-L190 WeakPolarHBondContact O-CB 3.25Å; V186-L190 PolarHBondContact O-N 2.9Å; L190-L192 VanDerWaalsContact C-N 3.32Å; L190-L192 PolarHBondContact O-N 3.36Å; L190-L193 WeakPolarHBondContact O-CB 2.8Å; L190-L193 PolarHBondContact O-N 3.24Å; L190-N194 PolarHBondContact O-N 3.04Å; L190-N194 PolarHBondContact O-ND2 3.04Å; L190-L219 HydrophobicContact CD2-CD2 4.3Å; L190-L222 HydrophobicContact CD1-CB 4.14Å; L190-L222 HydrophobicContact CD1-CD1 4.01Å; L190-L222 HydrophobicContact CD2-CB 4.37Å; L190-T225 HydrophobicContact CD1-CG2 4.31Å
191S94.4Very high89.9Confident1 Ų134.7 Ų34.71%0.00716%0.163CC..Hα-helixtrans-65-36.2177.5-158.80000112.2S157 R161 L187 P188 N194 V195S157-S191 PolarHBondContact OG-OG 3.15Å; R161-S191 VanDerWaalsContact CD-OG 3.32Å; R161-S191 WeakPolarHBondContact CD-OG 3.23Å; R161-S191 PolarHBondContact NH1-OG 2.64Å; R161-S191 VanDerWaalsContact NH1-OG 3.09Å; L187-S191 PolarHBondContact O-N 2.97Å; P188-S191 PolarHBondContact O-N 2.8Å; S191-N194 PolarHBondContact O-N 3.41Å; S191-V195 WeakPolarHBondContact O-CG2 3.29Å; S191-V195 PolarHBondContact O-N 3.21Å; S191-V195 VanDerWaalsContact O-N 3.12Å
192L95Very high90Very high1 Ų133.8 Ų33.81%0.00516%0.155CC..Hα-helixtrans-67.5-40.7173.5-177.561.9000112L101 V107 V170 L173 L177 P188 L189 L190 N194 V195 L196 V208L101-L192 HydrophobicContact CD1-CD2 4Å; V107-L192 HydrophobicContact CG2-CD1 4.26Å; V107-L192 HydrophobicContact CG2-CD2 4.11Å; V170-L192 HydrophobicContact CG2-CD1 4.07Å; L173-L192 HydrophobicContact CD1-CB 4.04Å; L173-L192 HydrophobicContact CD1-CD1 4.24Å; L177-L192 HydrophobicContact CD1-CD2 3.93Å; P188-L192 WeakPolarHBondContact O-CB 3.2Å; P188-L192 PolarHBondContact O-N 2.89Å; L189-L192 PolarHBondContact O-N 3.39Å; L190-L192 VanDerWaalsContact C-N 3.32Å; L190-L192 PolarHBondContact O-N 3.36Å; L192-N194 VanDerWaalsContact C-N 3.31Å; L192-N194 PolarHBondContact O-N 3.4Å; L192-V195 PolarHBondContact O-N 2.89Å; L192-L196 HydrophobicContact CD1-CD1 4.24Å; L192-L196 HydrophobicContact CD1-CG 4.17Å; L192-L196 HydrophobicContact CG-CD1 4Å; L192-L196 HydrophobicContact CG-CG 4.35Å; L192-L196 WeakPolarHBondContact O-CG 3.31Å; L192-L196 PolarHBondContact O-N 3.4Å; L192-V208 HydrophobicContact CB-CG1 4.41Å; L192-V208 HydrophobicContact CD2-CG1 4.31Å; L192-V208 HydrophobicContact CD2-CG2 4Å; L192-V208 HydrophobicContact CG-CG1 4.37Å; L192-V208 HydrophobicContact CG-CG2 4.37Å
193L93.8Very high90.4Very high0 Ų030.6 Ų30.60%016%0.155CC..Hα-helixtrans-59-43175.9-174.263000111.5L189 L190 G197 A205 V208 A209 L222 T225 A226 V229L189-L193 WeakPolarHBondContact O-CB 3.38Å; L189-L193 PolarHBondContact O-N 3.02Å; L190-L193 WeakPolarHBondContact O-CB 2.8Å; L190-L193 PolarHBondContact O-N 3.24Å; L193-G197 PolarHBondContact O-N 3.42Å; L193-A205 HydrophobicContact CD1-CB 4.05Å; L193-A205 WeakPolarHBondContact CD1-O 3.35Å; L193-V208 HydrophobicContact CB-CG1 4.06Å; L193-V208 HydrophobicContact CD1-CB 4.25Å; L193-V208 HydrophobicContact CD1-CG1 4.37Å; L193-A209 HydrophobicContact CD1-CB 3.87Å; L193-A209 HydrophobicContact CD2-CB 4.16Å; L193-L222 HydrophobicContact CD2-CD1 3.85Å; L193-T225 HydrophobicContact CD2-CG2 3.73Å; L193-T225 HydrophobicContact CG-CG2 3.86Å; L193-A226 HydrophobicContact CD2-CB 4.24Å; L193-V229 HydrophobicContact CD1-CG2 3.96Å; L193-V229 HydrophobicContact CG-CG2 4.48Å
194N92.1Very high90.8Very high0 Ų023.6 Ų23.60%012%0.123CC..Hα-helixtrans-63-42.6173.8-79.1-87.9000113P55 S57 R161 L190 S191 L192 N198P55-N194 PolarHBondContact O-OD1 2.94Å; S57-N194 PolarHBondContact N-OD1 2.93Å; S57-N194 PolarHBondContact O-ND2 2.6Å; S57-N194 VanDerWaalsContact O-ND2 3.16Å; S57-N194 PolarHBondContact OG-ND2 2.66Å; S57-N194 PolarHBondContact OG-OD1 2.99Å; R161-N194 VanDerWaalsContact CZ-CB 3.49Å; R161-N194 VanDerWaalsContact NH2-CB 3.3Å; R161-N194 VanDerWaalsContact NH2-CG 3.27Å; R161-N194 PolarHBondContact NH2-OD1 3.49Å; L190-N194 PolarHBondContact O-N 3.04Å; L190-N194 PolarHBondContact O-ND2 3.04Å; S191-N194 PolarHBondContact O-N 3.41Å; L192-N194 VanDerWaalsContact C-N 3.31Å; L192-N194 PolarHBondContact O-N 3.4Å; N194-N198 WeakPolarHBondContact O-CB 3.26Å; N194-N198 PolarHBondContact O-N 2.89Å; N194-N198 PolarHBondContact O-ND2 3.1Å
195V92.7Very high91Very high1 Ų118.1 Ų18.11%0.00610%0.101CC..Hα-helixtrans-65.2-44.2179.1166.50000111.4I113 R161 A169 V170 L173 S191 L192 G199I113-V195 HydrophobicContact CD1-CG1 4.34Å; I113-V195 HydrophobicContact CG2-CG1 4.26Å; R161-V195 HydrophobicContact CG-CG2 3.55Å; A169-V195 HydrophobicContact CB-CG2 4.02Å; V170-V195 HydrophobicContact CG2-CG1 3.58Å; L173-V195 HydrophobicContact CD1-CG2 4.24Å; S191-V195 WeakPolarHBondContact O-CG2 3.29Å; S191-V195 PolarHBondContact O-N 3.21Å; S191-V195 VanDerWaalsContact O-N 3.12Å; L192-V195 PolarHBondContact O-N 2.89Å; V195-G199 PolarHBondContact O-N 3.37Å; V195-G199 VanDerWaalsContact O-N 3.09Å
196L91.7Very high91.1Very high0 Ų018.1 Ų18.10%010%0.102CC..Hα-helixtrans-68.9-39.1177.6-65.8174.5000112.2S106 I113 L192 G199 N200 R201 D204 A205 V208S106-L196 VanDerWaalsContact CB-CD2 3.41Å; I113-L196 HydrophobicContact CD1-CD2 3.83Å; L192-L196 HydrophobicContact CD1-CD1 4.24Å; L192-L196 HydrophobicContact CD1-CG 4.17Å; L192-L196 HydrophobicContact CG-CD1 4Å; L192-L196 HydrophobicContact CG-CG 4.35Å; L192-L196 WeakPolarHBondContact O-CG 3.31Å; L192-L196 PolarHBondContact O-N 3.4Å; L196-G199 CarbonylContact O-C 3.59Å; L196-G199 PolarHBondContact O-N 2.85Å; L196-N200 PolarHBondContact O-N 3.44Å; L196-R201 HydrophobicContact CB-CB 4.47Å; L196-R201 HydrophobicContact CD2-CB 4.21Å; L196-R201 PolarHBondContact O-N 3.36Å; L196-D204 HydrophobicContact CD1-CB 4.32Å; L196-A205 HydrophobicContact CB-CB 3.79Å; L196-V208 HydrophobicContact CD1-CB 4.4Å; L196-V208 HydrophobicContact CD1-CG2 3.64Å
197G89.1Confident91.1Very high3 Ų319.4 Ų19.43%0.03111%0.107CC..Hα-helixtrans-65.6-49.4176.700000113.4F54 L193 G199 N200 M202F54-G197 VanDerWaalsContact CE2-CA 3.47Å; L193-G197 PolarHBondContact O-N 3.42Å; G197-G199 PolarHBondContact O-N 2.87Å; G197-N200 PolarHBondContact O-N 3.08Å; G197-N200 VanDerWaalsContact O-N 3.09Å; G197-M202 WeakPolarHBondContact O-CE 3.47Å
198N86.8Confident91.2Very high22 Ų2218.4 Ų18.412%0.11810%0.101CC..Hα-helixtrans-61.6-27.4172.9-83.2-67.8000112.8F54 E118 N194 N200F54-N198 HydrophobicContact CB-CB 4.46Å; E118-N198 VanDerWaalsContact CD-ND2 3.26Å; E118-N198 PolarHBondContact OE1-ND2 3.43Å; E118-N198 PolarHBondContact OE2-ND2 2.99Å; N194-N198 WeakPolarHBondContact O-CB 3.26Å; N194-N198 PolarHBondContact O-N 2.89Å; N194-N198 PolarHBondContact O-ND2 3.1Å; N198-N200 VanDerWaalsContact C-N 3.31Å
199G86.8Confident91.1Very high8 Ų818.4 Ų18.48%0.08210%0.101CC..THydrogen-bonded Turntrans-8710.9175.100000115.5G114 V195 L196 G197 R201G114-G199 WeakPolarHBondContact O-CA 3.37Å; V195-G199 PolarHBondContact O-N 3.37Å; V195-G199 VanDerWaalsContact O-N 3.09Å; L196-G199 CarbonylContact O-C 3.59Å; L196-G199 PolarHBondContact O-N 2.85Å; G197-G199 PolarHBondContact O-N 2.87Å; G199-R201 WeakPolarHBondContact O-CG 3.24Å; G199-R201 PolarHBondContact O-N 3.39Å
200N85.9Confident91Very high126 Ų12619.2 Ų19.267%0.67411%0.106SC*.THydrogen-bonded Turntrans54.719.3-176.2-158.729000115.5L196 G197 N198 M202L196-N200 PolarHBondContact O-N 3.44Å; G197-N200 PolarHBondContact O-N 3.08Å; G197-N200 VanDerWaalsContact O-N 3.09Å; N198-N200 VanDerWaalsContact C-N 3.31Å; N200-M202 PolarHBondContact O-N 3.08Å
201R90.3Very high90.8Very high61 Ų6120 Ų2023%0.2311%0.11CC..  trans-84.952.8176.9-54.4-60.7-75.2-1722110.2E105 S106 I113 L196 G199 S203 D204 A205E105-R201 IonicContact OE2-NH2 2.71Å; E105-R201 PolarHBondContact OE2-NH2 2.99Å; S106-R201 WeakPolarHBondContact OG-CB 3.46Å; S106-R201 PolarHBondContact OG-NE 2.94Å; I113-R201 HydrophobicContact CG1-CG 4.25Å; L196-R201 HydrophobicContact CB-CB 4.47Å; L196-R201 HydrophobicContact CD2-CB 4.21Å; L196-R201 PolarHBondContact O-N 3.36Å; G199-R201 WeakPolarHBondContact O-CG 3.24Å; G199-R201 PolarHBondContact O-N 3.39Å; R201-S203 VanDerWaalsContact C-N 3.27Å; R201-S203 PolarHBondContact O-N 3.33Å; R201-D204 PolarHBondContact O-N 2.92Å; R201-D204 VanDerWaalsContact O-N 3.16Å; R201-A205 WeakPolarHBondContact O-CB 3.31Å; R201-A205 PolarHBondContact O-N 2.76Å
202M87.8Confident90.7Very high27 Ų2720 Ų2013%0.13311%0.109CC..Hα-helixtrans-59.9-33-167.4-63.5-62.8-179.200113.7F54 G197 N200 A205 A206 Y228 T233F54-M202 HydrophobicContact CD2-CE 4.09Å; F54-M202 HydrophobicContact CE2-CE 4.5Å; F54-M202 HydrophobicContact CE2-SD 4.46Å; G197-M202 WeakPolarHBondContact O-CE 3.47Å; N200-M202 PolarHBondContact O-N 3.08Å; M202-A205 PolarHBondContact O-N 3.45Å; M202-A206 WeakPolarHBondContact O-CB 3.34Å; M202-A206 PolarHBondContact O-N 3.43Å; M202-Y228 HydrophobicContact CE-CE1 4.34Å; M202-T233 HydrophobicContact CB-CG2 3.85Å
203S87.4Confident90.5Very high78 Ų7820.9 Ų20.955%0.54511%0.114SC..Hα-helixtrans-64-47.917655.60000112.3R201 K207R201-S203 VanDerWaalsContact C-N 3.27Å; R201-S203 PolarHBondContact O-N 3.33Å; S203-K207 WeakPolarHBondContact O-CE 3.43Å; S203-K207 WeakPolarHBondContact O-CG 3.37Å
204D91Very high90.3Very high8 Ų824 Ų244%0.04314%0.139CC..Hα-helixtrans-71.2-34.2174.1-80.7-15.7000111.8E105 S106 L196 R201 A206 K207 V208E105-D204 PolarHBondContact N-OD2 3.17Å; S106-D204 VanDerWaalsContact CB-OD2 3.26Å; S106-D204 WeakPolarHBondContact CB-OD2 3.43Å; S106-D204 PolarHBondContact N-OD2 3.04Å; S106-D204 PolarHBondContact OG-OD2 3.44Å; L196-D204 HydrophobicContact CD1-CB 4.32Å; R201-D204 PolarHBondContact O-N 2.92Å; R201-D204 VanDerWaalsContact O-N 3.16Å; D204-A206 VanDerWaalsContact C-N 3.34Å; D204-A206 PolarHBondContact O-N 3.08Å; D204-K207 WeakPolarHBondContact O-CB 3.34Å; D204-K207 PolarHBondContact O-N 3.39Å; D204-K207 IonicContact OD1-NZ 3.77Å; D204-K207 PolarHBondContact OD1-NZ 2.77Å; D204-V208 PolarHBondContact O-N 2.85Å; D204-V208 VanDerWaalsContact O-N 3.15Å
205A92.1Very high90Very high0 Ų027.6 Ų27.60%016%0.155CC..Hα-helixtrans-60.5-42.4174.700000111.4L193 L196 R201 M202 K207 V208 A209 V229L193-A205 HydrophobicContact CD1-CB 4.05Å; L193-A205 WeakPolarHBondContact CD1-O 3.35Å; L196-A205 HydrophobicContact CB-CB 3.79Å; R201-A205 WeakPolarHBondContact O-CB 3.31Å; R201-A205 PolarHBondContact O-N 2.76Å; M202-A205 PolarHBondContact O-N 3.45Å; A205-K207 PolarHBondContact O-N 3.13Å; A205-V208 PolarHBondContact O-N 3.23Å; A205-V208 VanDerWaalsContact O-N 3.13Å; A205-A209 PolarHBondContact O-N 3.14Å; A205-V229 HydrophobicContact CB-CG1 3.8Å; A205-V229 HydrophobicContact CB-CG2 3.99Å
206A91.4Very high89.6Confident7 Ų730.1 Ų30.16%0.05817%0.169CC..Hα-helixtrans-61.7-33.1179.900000112.4M202 D204 A209 D210 V229 T233M202-A206 WeakPolarHBondContact O-CB 3.34Å; M202-A206 PolarHBondContact O-N 3.43Å; D204-A206 VanDerWaalsContact C-N 3.34Å; D204-A206 PolarHBondContact O-N 3.08Å; A206-A209 WeakPolarHBondContact O-CB 3.38Å; A206-A209 PolarHBondContact O-N 3.23Å; A206-D210 PolarHBondContact O-N 2.88Å; A206-V229 VanDerWaalsContact CA-CG1 3.41Å; A206-V229 HydrophobicContact CB-CG1 3.79Å; A206-V229 VanDerWaalsContact N-CG1 3.27Å; A206-T233 HydrophobicContact CB-CG2 4.35Å
207K91.4Very high89.2Confident39 Ų3933.3 Ų33.317%0.1719%0.186CC..Hα-helixtrans-70-44175.7-54.9168.5-165.5179.70111.1L104 S203 D204 A205 A209 D210 I211 D701 T703L104-K207 HydrophobicContact CD2-CB 4.19Å; L104-K207 HydrophobicContact CD2-CD 3.5Å; L104-K207 VanDerWaalsContact CD2-CD 3.5Å; S203-K207 WeakPolarHBondContact O-CE 3.43Å; S203-K207 WeakPolarHBondContact O-CG 3.37Å; D204-K207 WeakPolarHBondContact O-CB 3.34Å; D204-K207 PolarHBondContact O-N 3.39Å; D204-K207 IonicContact OD1-NZ 3.77Å; D204-K207 PolarHBondContact OD1-NZ 2.77Å; A205-K207 PolarHBondContact O-N 3.13Å; K207-A209 VanDerWaalsContact C-N 3.3Å; K207-A209 PolarHBondContact O-N 3.17Å; K207-D210 PolarHBondContact O-N 3.44Å; K207-I211 WeakPolarHBondContact O-CD1 3.46Å; K207-I211 VanDerWaalsContact O-CG1 3.25Å; K207-I211 WeakPolarHBondContact O-CG1 3.33Å; K207-I211 PolarHBondContact O-N 2.88Å; K207-D701 HydrophobicContact CB-CB 4.5Å; K207-D701 HydrophobicContact CD-CB 3.63Å; K207-D701 VanDerWaalsContact CD-OD1 3.23Å; K207-D701 WeakPolarHBondContact CD-OD1 3.42Å; K207-D701 VanDerWaalsContact CE-CG 3.4Å; K207-D701 WeakPolarHBondContact CE-OD1 3.36Å; K207-D701 HydrophobicContact CG-CB 3.81Å; K207-D701 IonicContact NZ-OD1 3.03Å; K207-D701 PolarHBondContact NZ-OD1 3.11Å; K207-T703 HydrophobicContact CB-CG2 4.22Å; K207-T703 HydrophobicContact CG-CG2 4.34Å
208V92.8Very high89Confident0 Ų037.3 Ų37.30%021%0.21CC..Hα-helixtrans-63-36.4173.3178.20000111.5L101 L104 L189 L192 L193 L196 D204 A205 I211 A212L101-V208 HydrophobicContact CD1-CG2 4Å; L104-V208 HydrophobicContact CD1-CG2 3.55Å; L189-V208 HydrophobicContact CD2-CG1 4.21Å; L189-V208 WeakPolarHBondContact O-CG1 3.18Å; L192-V208 HydrophobicContact CB-CG1 4.41Å; L192-V208 HydrophobicContact CD2-CG1 4.31Å; L192-V208 HydrophobicContact CD2-CG2 4Å; L192-V208 HydrophobicContact CG-CG1 4.37Å; L192-V208 HydrophobicContact CG-CG2 4.37Å; L193-V208 HydrophobicContact CB-CG1 4.06Å; L193-V208 HydrophobicContact CD1-CB 4.25Å; L193-V208 HydrophobicContact CD1-CG1 4.37Å; L196-V208 HydrophobicContact CD1-CB 4.4Å; L196-V208 HydrophobicContact CD1-CG2 3.64Å; D204-V208 PolarHBondContact O-N 2.85Å; D204-V208 VanDerWaalsContact O-N 3.15Å; A205-V208 PolarHBondContact O-N 3.23Å; A205-V208 VanDerWaalsContact O-N 3.13Å; V208-I211 PolarHBondContact O-N 2.71Å; V208-A212 VanDerWaalsContact O-CB 3.23Å; V208-A212 WeakPolarHBondContact O-CB 3.41Å; V208-A212 PolarHBondContact O-N 3.06Å
209A92.4Very high89Confident0 Ų038 Ų380%021%0.213CC..Hα-helixtrans-63.8-50.6174.200000112.3L193 A205 A206 K207 I211 A212 L213 A226 Y230L193-A209 HydrophobicContact CD1-CB 3.87Å; L193-A209 HydrophobicContact CD2-CB 4.16Å; A205-A209 PolarHBondContact O-N 3.14Å; A206-A209 WeakPolarHBondContact O-CB 3.38Å; A206-A209 PolarHBondContact O-N 3.23Å; K207-A209 VanDerWaalsContact C-N 3.3Å; K207-A209 PolarHBondContact O-N 3.17Å; A209-I211 VanDerWaalsContact C-N 3.29Å; A209-I211 PolarHBondContact O-N 2.71Å; A209-A212 PolarHBondContact O-N 3.41Å; A209-L213 WeakPolarHBondContact O-CB 3.48Å; A209-L213 WeakPolarHBondContact O-CG 3.47Å; A209-L213 PolarHBondContact O-N 2.88Å; A209-A226 HydrophobicContact CB-CB 3.83Å; A209-Y230 HydrophobicContact CB-CE1 4.45Å; A209-Y230 HydrophobicContact CB-CE2 4.35Å
210D91.6Very high88.9Confident21 Ų2139 Ų3911%0.11222%0.218CC..Hα-helixtrans-57.8-41.3176.3-81.3-17.6000110.8A206 K207 A214 Y230 K238 T703A206-D210 PolarHBondContact O-N 2.88Å; K207-D210 PolarHBondContact O-N 3.44Å; D210-A214 WeakPolarHBondContact O-CB 3.42Å; D210-A214 PolarHBondContact O-N 3.43Å; D210-Y230 WeakPolarHBondContact CA-OH 3.19Å; D210-Y230 PolarHBondContact N-OH 2.76Å; D210-Y230 VanDerWaalsContact OD1-CE1 3.31Å; D210-Y230 WeakPolarHBondContact OD1-CE1 3.42Å; D210-Y230 VanDerWaalsContact OD1-CZ 3.28Å; D210-Y230 PolarHBondContact OD1-OH 3.43Å; D210-K238 IonicContact OD1-NZ 2.76Å; D210-K238 PolarHBondContact OD1-NZ 3.03Å; D210-K238 IonicContact OD2-NZ 3.67Å; D210-K238 PolarHBondContact OD2-NZ 2.97Å; D210-T703 HydrophobicContact CB-CG2 3.54Å; D210-T703 VanDerWaalsContact OD2-CB 3.26Å; D210-T703 WeakPolarHBondContact OD2-CB 3.29Å; D210-T703 VanDerWaalsContact OD2-CG2 3.23Å; D210-T703 WeakPolarHBondContact OD2-CG2 3.18Å
211I90.8Very high88.9Confident17 Ų1734.2 Ų34.29%0.08720%0.195CC..Hα-helixtrans-65.2-46.9175-66.5164.5000111.5L101 L189 K207 V208 A209 A214 F215 G702L101-I211 HydrophobicContact CD1-CD1 4.23Å; L101-I211 HydrophobicContact CD2-CD1 3.99Å; L189-I211 HydrophobicContact CD1-CG2 3.93Å; L189-I211 HydrophobicContact CD2-CG2 4.32Å; K207-I211 WeakPolarHBondContact O-CD1 3.46Å; K207-I211 VanDerWaalsContact O-CG1 3.25Å; K207-I211 WeakPolarHBondContact O-CG1 3.33Å; K207-I211 PolarHBondContact O-N 2.88Å; V208-I211 PolarHBondContact O-N 2.71Å; A209-I211 VanDerWaalsContact C-N 3.29Å; A209-I211 PolarHBondContact O-N 2.71Å; I211-A214 PolarHBondContact O-N 3.21Å; I211-F215 HydrophobicContact CG2-CD2 4.26Å; I211-F215 HydrophobicContact CG2-CE2 3.9Å; I211-F215 WeakPolarHBondContact O-CD2 3.22Å; I211-F215 PolarHBondContact O-N 3.48Å; I211-G702 WeakPolarHBondContact CG1-O 3.42Å
212A91.7Very high88.9Confident0 Ų031.3 Ų31.30%018%0.184CC..Hα-helixtrans-66-44.2-175.400000112.4L189 V208 A209 A214 F215 N216 L222L189-A212 HydrophobicContact CB-CB 3.99Å; L189-A212 HydrophobicContact CD1-CB 4.2Å; V208-A212 VanDerWaalsContact O-CB 3.23Å; V208-A212 WeakPolarHBondContact O-CB 3.41Å; V208-A212 PolarHBondContact O-N 3.06Å; A209-A212 PolarHBondContact O-N 3.41Å; A212-A214 VanDerWaalsContact C-N 3.31Å; A212-A214 PolarHBondContact O-N 3.47Å; A212-F215 PolarHBondContact O-N 3.49Å; A212-F215 VanDerWaalsContact O-N 3.09Å; A212-N216 PolarHBondContact O-N 3.29Å; A212-L222 HydrophobicContact CB-CD1 3.59Å; A212-L222 HydrophobicContact CB-CD2 3.82Å; A212-L222 HydrophobicContact CB-CG 4.36Å
213L91.2Very high89Confident21 Ų2130.1 Ų30.111%0.1118%0.178CC..Hα-helixtrans-66.5-32.3177.3-70.2170.1000112.1A209 F215 N216 D217 L222 A223 A226 Y230 I242A209-L213 WeakPolarHBondContact O-CB 3.48Å; A209-L213 WeakPolarHBondContact O-CG 3.47Å; A209-L213 PolarHBondContact O-N 2.88Å; L213-F215 PolarHBondContact O-N 3.11Å; L213-N216 CarbonylContact O-C 3.6Å; L213-N216 PolarHBondContact O-N 3.1Å; L213-D217 HydrophobicContact CB-CB 4.42Å; L213-D217 HydrophobicContact CD2-CB 4.04Å; L213-D217 PolarHBondContact O-N 3.02Å; L213-L222 HydrophobicContact CD2-CD2 4.04Å; L213-L222 HydrophobicContact CD2-CG 4.07Å; L213-L222 HydrophobicContact CG-CD2 4.45Å; L213-A223 HydrophobicContact CD2-CB 4.12Å; L213-A226 HydrophobicContact CD1-CB 3.75Å; L213-A226 HydrophobicContact CG-CB 4.28Å; L213-Y230 HydrophobicContact CD1-CE2 3.74Å; L213-I242 HydrophobicContact CD1-CD1 3.6Å; L213-I242 HydrophobicContact CD1-CG1 4.47Å
214A88.5Confident89Confident64 Ų6427 Ų2753%0.52916%0.155SC..Hα-helixtrans-64.9-17.9172.600000113.9D210 I211 A212D210-A214 WeakPolarHBondContact O-CB 3.42Å; D210-A214 PolarHBondContact O-N 3.43Å; I211-A214 PolarHBondContact O-N 3.21Å; A212-A214 VanDerWaalsContact C-N 3.31Å; A212-A214 PolarHBondContact O-N 3.47Å
215F86.8Confident88.9Confident76 Ų7626.7 Ų26.733%0.33315%0.154SC..Hα-helixtrans-93.4-39.1170.3-73.5-72.2000113.3R182 V185 V186 L189 I211 A212 L213R182-F215 HydrophobicContact CG-CD1 4.22Å; R182-F215 HydrophobicContact CG-CE1 3.87Å; V185-F215 HydrophobicContact CG1-CB 3.89Å; V185-F215 HydrophobicContact CG1-CD1 3.65Å; V185-F215 HydrophobicContact CG1-CD2 3.54Å; V185-F215 HydrophobicContact CG1-CE1 4.01Å; V185-F215 HydrophobicContact CG1-CE2 3.91Å; V185-F215 HydrophobicContact CG1-CG 3.4Å; V185-F215 VanDerWaalsContact CG1-CG 3.4Å; V185-F215 HydrophobicContact CG1-CZ 4.13Å; V185-F215 HydrophobicContact CG2-CE2 4.49Å; V186-F215 HydrophobicContact CG2-CB 3.74Å; L189-F215 HydrophobicContact CD1-CD2 3.99Å; L189-F215 HydrophobicContact CD1-CE2 4.32Å; I211-F215 HydrophobicContact CG2-CD2 4.26Å; I211-F215 HydrophobicContact CG2-CE2 3.9Å; I211-F215 WeakPolarHBondContact O-CD2 3.22Å; I211-F215 PolarHBondContact O-N 3.48Å; A212-F215 PolarHBondContact O-N 3.49Å; A212-F215 VanDerWaalsContact O-N 3.09Å; L213-F215 PolarHBondContact O-N 3.11Å
216N84.4Confident88.9Confident54 Ų5426.7 Ų26.729%0.28915%0.154SC..  trans-155.8114.8177-176.6-17.1000110.3V186 A212 L213 T218 L219 L222V186-N216 HydrophobicContact CG1-CB 4.45Å; V186-N216 HydrophobicContact CG2-CB 3.63Å; A212-N216 PolarHBondContact O-N 3.29Å; L213-N216 CarbonylContact O-C 3.6Å; L213-N216 PolarHBondContact O-N 3.1Å; N216-T218 PolarHBondContact OD1-N 3.42Å; N216-T218 PolarHBondContact OD1-OG1 2.84Å; N216-L219 PolarHBondContact OD1-N 2.59Å; N216-L219 VanDerWaalsContact OD1-N 3.16Å; N216-L222 WeakPolarHBondContact O-CD2 3.08Å
217D84Confident88.8Confident68 Ų6826.3 Ų26.336%0.36415%0.151SC..SBendtrans-107.512.7176.367.96.5000113.6L213 K245L213-D217 HydrophobicContact CB-CB 4.42Å; L213-D217 HydrophobicContact CD2-CB 4.04Å; L213-D217 PolarHBondContact O-N 3.02Å; D217-K245 IonicContact OD1-NZ 3.88Å; D217-K245 PolarHBondContact OD1-NZ 3.49Å; D217-K245 IonicContact OD2-NZ 3.84Å; D217-K245 PolarHBondContact OD2-NZ 2.87Å
218T84.1Confident88.6Confident87 Ų8726.6 Ų26.653%0.53415%0.151SC..  trans-102.8-13176.570.50000113.2N216 P220N216-T218 PolarHBondContact OD1-N 3.42Å; N216-T218 PolarHBondContact OD1-OG1 2.84Å; T218-P220 WeakPolarHBondContact O-CD 3.39Å
219L86Confident88.4Confident35 Ų3526.6 Ų26.618%0.18315%0.151CC..  trans-73.7112.6178.7-179.963.3000110.5V59 V186 L190 N216 S221 L222 A223V59-L219 HydrophobicContact CG2-CD2 4.32Å; V186-L219 HydrophobicContact CG1-CD2 3.71Å; L190-L219 HydrophobicContact CD2-CD2 4.3Å; N216-L219 PolarHBondContact OD1-N 2.59Å; N216-L219 VanDerWaalsContact OD1-N 3.16Å; L219-S221 PolarHBondContact O-N 3.43Å; L219-L222 HydrophobicContact CB-CB 4.19Å; L219-L222 HydrophobicContact CD2-CB 3.96Å; L219-L222 HydrophobicContact CG-CB 4.13Å; L219-L222 PolarHBondContact O-N 3.06Å; L219-A223 PolarHBondContact O-N 2.91Å
220P85.8Confident88.4Confident29 Ų2926.7 Ų26.719%0.18815%0.152CC..Hα-helixtrans-63.3-40.1-170.5-27.438.9000114T218 A223 I224 I246 L250 L256T218-P220 WeakPolarHBondContact O-CD 3.39Å; P220-A223 PolarHBondContact O-N 3.12Å; P220-I224 WeakPolarHBondContact O-CB 3.31Å; P220-I224 WeakPolarHBondContact O-CG1 3.27Å; P220-I224 PolarHBondContact O-N 3.29Å; P220-I246 HydrophobicContact CB-CG2 4.27Å; P220-L250 HydrophobicContact CB-CD2 4.23Å; P220-L250 HydrophobicContact CG-CD2 3.74Å; P220-L256 HydrophobicContact CB-CD2 3.42Å; P220-L256 VanDerWaalsContact CB-CD2 3.42Å; P220-L256 HydrophobicContact CG-CD2 4.36Å
221S84.9Confident88.1Confident27 Ų2726.4 Ų26.419%0.18915%0.152CC..Hα-helixtrans-63.5-42.9179.352.70000112.6L219 T225L219-S221 PolarHBondContact O-N 3.43Å; S221-T225 WeakPolarHBondContact O-CB 3.31Å; S221-T225 PolarHBondContact O-N 3.19Å; S221-T225 PolarHBondContact O-OG1 2.98Å; S221-T225 VanDerWaalsContact O-OG1 3.09Å
222L90.4Very high87.8Confident0 Ų028.1 Ų28.10%017%0.165CC..Hα-helixtrans-60.5-50174.8165.462.8000111.5V186 L190 L193 A212 L213 N216 L219 T225 A226V186-L222 HydrophobicContact CG1-CD2 3.9Å; L190-L222 HydrophobicContact CD1-CB 4.14Å; L190-L222 HydrophobicContact CD1-CD1 4.01Å; L190-L222 HydrophobicContact CD2-CB 4.37Å; L193-L222 HydrophobicContact CD2-CD1 3.85Å; A212-L222 HydrophobicContact CB-CD1 3.59Å; A212-L222 HydrophobicContact CB-CD2 3.82Å; A212-L222 HydrophobicContact CB-CG 4.36Å; L213-L222 HydrophobicContact CD2-CD2 4.04Å; L213-L222 HydrophobicContact CD2-CG 4.07Å; L213-L222 HydrophobicContact CG-CD2 4.45Å; N216-L222 WeakPolarHBondContact O-CD2 3.08Å; L219-L222 HydrophobicContact CB-CB 4.19Å; L219-L222 HydrophobicContact CD2-CB 3.96Å; L219-L222 HydrophobicContact CG-CB 4.13Å; L219-L222 PolarHBondContact O-N 3.06Å; L222-T225 PolarHBondContact O-N 3.23Å; L222-A226 WeakPolarHBondContact O-CB 3.45Å; L222-A226 PolarHBondContact O-N 3.29Å
223A90.2Very high87.6Confident1 Ų130 Ų301%0.00818%0.177CC..Hα-helixtrans-74.4-30-170.400000113.3L213 L219 P220 S227 I242 I246L213-A223 HydrophobicContact CD2-CB 4.12Å; L219-A223 PolarHBondContact O-N 2.91Å; P220-A223 PolarHBondContact O-N 3.12Å; A223-S227 VanDerWaalsContact O-CB 3.24Å; A223-S227 WeakPolarHBondContact O-CB 3.44Å; A223-S227 PolarHBondContact O-N 3.32Å; A223-S227 PolarHBondContact O-OG 3.43Å; A223-I242 HydrophobicContact CB-CG2 3.59Å; A223-I246 HydrophobicContact CB-CD1 3.01Å
224I86.8Confident87.3Confident12 Ų1231.9 Ų31.96%0.06219%0.192CC..Hα-helixtrans-62.7-49.2167.5-73.6166.4000110P220 A226 S227 Y228 L256 F259P220-I224 WeakPolarHBondContact O-CB 3.31Å; P220-I224 WeakPolarHBondContact O-CG1 3.27Å; P220-I224 PolarHBondContact O-N 3.29Å; I224-A226 PolarHBondContact O-N 3.47Å; I224-S227 PolarHBondContact O-N 2.95Å; I224-Y228 PolarHBondContact O-N 2.9Å; I224-L256 HydrophobicContact CD1-CD1 3.46Å; I224-L256 VanDerWaalsContact CD1-CD1 3.46Å; I224-L256 HydrophobicContact CD1-CD2 4.23Å; I224-L256 HydrophobicContact CD1-CG 3.69Å; I224-F259 HydrophobicContact CD1-CD1 4.27Å; I224-F259 HydrophobicContact CG2-CD1 4.21Å; I224-F259 HydrophobicContact CG2-CE1 3.68Å
225T89.5Confident87.3Confident2 Ų231.8 Ų31.81%0.01218%0.181CC..Hα-helixtrans-61.9-41.4177.4-62.60000112.4F54 S57 L190 L193 S221 L222 Y228 V229F54-T225 HydrophobicContact CE1-CG2 3.5Å; F54-T225 HydrophobicContact CZ-CG2 3.54Å; S57-T225 WeakPolarHBondContact CB-OG1 3.35Å; S57-T225 PolarHBondContact OG-OG1 3.14Å; L190-T225 HydrophobicContact CD1-CG2 4.31Å; L193-T225 HydrophobicContact CD2-CG2 3.73Å; L193-T225 HydrophobicContact CG-CG2 3.86Å; S221-T225 WeakPolarHBondContact O-CB 3.31Å; S221-T225 PolarHBondContact O-N 3.19Å; S221-T225 PolarHBondContact O-OG1 2.98Å; S221-T225 VanDerWaalsContact O-OG1 3.09Å; L222-T225 PolarHBondContact O-N 3.23Å; T225-Y228 WeakPolarHBondContact O-CB 3.27Å; T225-Y228 PolarHBondContact O-N 3.3Å; T225-V229 PolarHBondContact O-N 3.39Å
226A91.7Very high87.3Confident0 Ų029.3 Ų29.30%017%0.169CC..Hα-helixtrans-65.7-40.6175.200000111.9L193 A209 L213 L222 I224 Y228 V229 Y230L193-A226 HydrophobicContact CD2-CB 4.24Å; A209-A226 HydrophobicContact CB-CB 3.83Å; L213-A226 HydrophobicContact CD1-CB 3.75Å; L213-A226 HydrophobicContact CG-CB 4.28Å; L222-A226 WeakPolarHBondContact O-CB 3.45Å; L222-A226 PolarHBondContact O-N 3.29Å; I224-A226 PolarHBondContact O-N 3.47Å; A226-Y228 VanDerWaalsContact C-N 3.26Å; A226-Y228 PolarHBondContact O-N 2.81Å; A226-V229 PolarHBondContact O-N 3Å; A226-V229 VanDerWaalsContact O-N 3.14Å; A226-Y230 HydrophobicContact CB-CD2 4.45Å; A226-Y230 HydrophobicContact CB-CE2 3.98Å; A226-Y230 WeakPolarHBondContact O-CD2 3.46Å; A226-Y230 PolarHBondContact O-N 3.14Å
227S89.1Confident87.6Confident0 Ų034.3 Ų34.30%018%0.184CC..Hα-helixtrans-62.3-34.8176-59.70000112.1A223 I224 Y230 A231 A239 I242 L243A223-S227 VanDerWaalsContact O-CB 3.24Å; A223-S227 WeakPolarHBondContact O-CB 3.44Å; A223-S227 PolarHBondContact O-N 3.32Å; A223-S227 PolarHBondContact O-OG 3.43Å; I224-S227 PolarHBondContact O-N 2.95Å; S227-Y230 PolarHBondContact O-N 2.86Å; S227-A231 WeakPolarHBondContact O-CB 3.49Å; S227-A231 PolarHBondContact O-N 3.26Å; S227-A239 WeakPolarHBondContact O-CB 3.44Å; S227-I242 WeakPolarHBondContact OG-CG2 3.31Å; S227-L243 WeakPolarHBondContact OG-CG 3.43Å
228Y87.8Confident87.9Confident44 Ų4433.8 Ų33.817%0.17318%0.178CC..Hα-helixtrans-62.3-49.3171.3-168.9-73.3000111.5T53 F54 P55 M202 I224 T225 A226 Y230 A231 S232 Y263T53-Y228 PolarHBondContact O-OH 3.01Å; F54-Y228 AromaticContact CD2-CD1 3.45Å; F54-Y228 HydrophobicContact CD2-CD1 3.45Å; F54-Y228 VanDerWaalsContact CD2-CD1 3.45Å; F54-Y228 AromaticContact CD2-CE1 3.47Å; F54-Y228 HydrophobicContact CD2-CE1 3.47Å; F54-Y228 VanDerWaalsContact CD2-CE1 3.47Å; F54-Y228 HydrophobicContact CD2-CG 4.34Å; F54-Y228 AromaticContact CE2-CD1 3.43Å; F54-Y228 HydrophobicContact CE2-CD1 3.43Å; F54-Y228 VanDerWaalsContact CE2-CD1 3.43Å; F54-Y228 AromaticContact CE2-CE1 3.96Å; F54-Y228 HydrophobicContact CE2-CE1 3.96Å; F54-Y228 HydrophobicContact CE2-CG 4.21Å; F54-Y228 HydrophobicContact CG-CD1 4.46Å; F54-Y228 HydrophobicContact CG-CE1 4.37Å; F54-Y228 HydrophobicContact CZ-CD1 4.45Å; P55-Y228 VanDerWaalsContact CD-CD2 3.43Å; P55-Y228 HydrophobicContact CG-CD2 3.68Å; P55-Y228 HydrophobicContact CG-CE2 4.28Å; P55-Y228 HydrophobicContact CG-CG 3.91Å; M202-Y228 HydrophobicContact CE-CE1 4.34Å; I224-Y228 PolarHBondContact O-N 2.9Å; T225-Y228 WeakPolarHBondContact O-CB 3.27Å; T225-Y228 PolarHBondContact O-N 3.3Å; A226-Y228 VanDerWaalsContact C-N 3.26Å; A226-Y228 PolarHBondContact O-N 2.81Å; Y228-Y230 VanDerWaalsContact C-N 3.33Å; Y228-Y230 PolarHBondContact O-N 2.99Å; Y228-A231 PolarHBondContact O-N 2.84Å; Y228-A231 VanDerWaalsContact O-N 3.15Å; Y228-S232 WeakPolarHBondContact CD1-OG 3.45Å; Y228-S232 WeakPolarHBondContact CE1-OG 3.35Å; Y228-S232 PolarHBondContact O-N 2.83Å; Y228-S232 PolarHBondContact O-OG 2.97Å; Y228-S232 VanDerWaalsContact O-OG 3.13Å; Y228-Y263 VanDerWaalsContact CA-OH 3.29Å; Y228-Y263 WeakPolarHBondContact CA-OH 3.19Å; Y228-Y263 AromaticContact CD2-CE2 3.95Å; Y228-Y263 HydrophobicContact CD2-CE2 3.95Å; Y228-Y263 AromaticContact CD2-CZ 3.81Å; Y228-Y263 VanDerWaalsContact CD2-OH 3.24Å; Y228-Y263 WeakPolarHBondContact CD2-OH 3.49Å
229V89.8Confident88.2Confident0 Ų029.7 Ų29.70%015%0.153CC..Hα-helixtrans-61.3-38.6177.41730000112.6F54 L193 A205 A206 T225 A226 S232 T233F54-V229 HydrophobicContact CE2-CG2 3.53Å; F54-V229 HydrophobicContact CZ-CG2 3.63Å; L193-V229 HydrophobicContact CD1-CG2 3.96Å; L193-V229 HydrophobicContact CG-CG2 4.48Å; A205-V229 HydrophobicContact CB-CG1 3.8Å; A205-V229 HydrophobicContact CB-CG2 3.99Å; A206-V229 VanDerWaalsContact CA-CG1 3.41Å; A206-V229 HydrophobicContact CB-CG1 3.79Å; A206-V229 VanDerWaalsContact N-CG1 3.27Å; T225-V229 PolarHBondContact O-N 3.39Å; A226-V229 PolarHBondContact O-N 3Å; A226-V229 VanDerWaalsContact O-N 3.14Å; V229-S232 PolarHBondContact O-N 2.99Å; V229-T233 WeakPolarHBondContact O-CG2 3.44Å; V229-T233 PolarHBondContact O-N 3.35Å; V229-T233 VanDerWaalsContact O-N 3.14Å; V229-T233 PolarHBondContact O-OG1 2.9Å
230Y90.9Very high88.4Confident3 Ų329.5 Ų29.51%0.01215%0.152CC..Hα-helixtrans-67.3-39.6174.2-65.6-52000112.2A209 D210 L213 A226 S227 Y228 T233 S234 Q235 K238 I242A209-Y230 HydrophobicContact CB-CE1 4.45Å; A209-Y230 HydrophobicContact CB-CE2 4.35Å; D210-Y230 WeakPolarHBondContact CA-OH 3.19Å; D210-Y230 PolarHBondContact N-OH 2.76Å; D210-Y230 VanDerWaalsContact OD1-CE1 3.31Å; D210-Y230 WeakPolarHBondContact OD1-CE1 3.42Å; D210-Y230 VanDerWaalsContact OD1-CZ 3.28Å; D210-Y230 PolarHBondContact OD1-OH 3.43Å; L213-Y230 HydrophobicContact CD1-CE2 3.74Å; A226-Y230 HydrophobicContact CB-CD2 4.45Å; A226-Y230 HydrophobicContact CB-CE2 3.98Å; A226-Y230 WeakPolarHBondContact O-CD2 3.46Å; A226-Y230 PolarHBondContact O-N 3.14Å; S227-Y230 PolarHBondContact O-N 2.86Å; Y228-Y230 VanDerWaalsContact C-N 3.33Å; Y228-Y230 PolarHBondContact O-N 2.99Å; Y230-T233 CarbonylContact O-C 3.52Å; Y230-T233 PolarHBondContact O-N 2.8Å; Y230-T233 PolarHBondContact O-OG1 3.26Å; Y230-S234 PolarHBondContact O-N 2.97Å; Y230-Q235 HydrophobicContact CD1-CB 4.2Å; Y230-Q235 WeakPolarHBondContact O-CA 3.33Å; Y230-Q235 PolarHBondContact O-N 2.82Å; Y230-K238 HydrophobicContact CD1-CB 4.16Å; Y230-K238 HydrophobicContact CD1-CD 3.69Å; Y230-K238 HydrophobicContact CD2-CB 4.09Å; Y230-K238 HydrophobicContact CE1-CD 3.55Å; Y230-K238 HydrophobicContact CG-CB 3.9Å; Y230-K238 HydrophobicContact CG-CD 4.27Å; Y230-I242 HydrophobicContact CD2-CD1 3.7Å; Y230-I242 HydrophobicContact CE2-CD1 3.34Å
231A86.7Confident88.7Confident14 Ų1432.6 Ų32.612%0.11617%0.17CC..Hα-helixtrans-65.3-40.2174.400000112.2S227 Y228 T233 S234 Y236 A239 V267S227-A231 WeakPolarHBondContact O-CB 3.49Å; S227-A231 PolarHBondContact O-N 3.26Å; Y228-A231 PolarHBondContact O-N 2.84Å; Y228-A231 VanDerWaalsContact O-N 3.15Å; A231-T233 PolarHBondContact O-N 3.05Å; A231-S234 PolarHBondContact O-N 3.24Å; A231-Y236 HydrophobicContact CB-CD1 4.37Å; A231-Y236 HydrophobicContact CB-CE1 4.4Å; A231-Y236 VanDerWaalsContact O-CE1 3.29Å; A231-Y236 WeakPolarHBondContact O-CE1 3.42Å; A231-A239 HydrophobicContact CB-CB 4.45Å; A231-V267 HydrophobicContact CB-CG2 3.89Å
232S84.4Confident89Confident53 Ų5332.7 Ų32.737%0.37117%0.169SC..THydrogen-bonded Turntrans-70.2-9.3174.1-57.20000114.5Y228 V229Y228-S232 WeakPolarHBondContact CD1-OG 3.45Å; Y228-S232 WeakPolarHBondContact CE1-OG 3.35Å; Y228-S232 PolarHBondContact O-N 2.83Å; Y228-S232 PolarHBondContact O-OG 2.97Å; Y228-S232 VanDerWaalsContact O-OG 3.13Å; V229-S232 PolarHBondContact O-N 2.99Å
233T87.2Confident88.9Confident41 Ų4132.8 Ų32.825%0.25217%0.169SC..THydrogen-bonded Turntrans-115.322.3175.453.90000112.4M202 A206 V229 Y230 A231 Q235M202-T233 HydrophobicContact CB-CG2 3.85Å; A206-T233 HydrophobicContact CB-CG2 4.35Å; V229-T233 WeakPolarHBondContact O-CG2 3.44Å; V229-T233 PolarHBondContact O-N 3.35Å; V229-T233 VanDerWaalsContact O-N 3.14Å; V229-T233 PolarHBondContact O-OG1 2.9Å; Y230-T233 CarbonylContact O-C 3.52Å; Y230-T233 PolarHBondContact O-N 2.8Å; Y230-T233 PolarHBondContact O-OG1 3.26Å; A231-T233 PolarHBondContact O-N 3.05Å; T233-Q235 PolarHBondContact O-N 3.37Å; T233-Q235 PolarHBondContact OG1-NE2 3.02Å
234S84.6Confident89Confident59 Ų5936.4 Ų36.441%0.41319%0.186SC..THydrogen-bonded Turntrans53.119.3-177.5-57.50000115.1Y230 A231 Y236 E274Y230-S234 PolarHBondContact O-N 2.97Å; A231-S234 PolarHBondContact O-N 3.24Å; S234-Y236 PolarHBondContact O-N 2.67Å; S234-Y236 VanDerWaalsContact O-N 3.1Å; S234-E274 VanDerWaalsContact CB-OE2 3.26Å; S234-E274 WeakPolarHBondContact CB-OE2 3.43Å; S234-E274 PolarHBondContact OG-OE2 2.76Å
235Q88Confident89.1Confident63 Ų6340 Ų4029%0.29420%0.201SC..  trans-86.147.6173.6-70.1176.684.400110.8Y230 T233 R237 K238 A239Y230-Q235 HydrophobicContact CD1-CB 4.2Å; Y230-Q235 WeakPolarHBondContact O-CA 3.33Å; Y230-Q235 PolarHBondContact O-N 2.82Å; T233-Q235 PolarHBondContact O-N 3.37Å; T233-Q235 PolarHBondContact OG1-NE2 3.02Å; Q235-R237 VanDerWaalsContact C-N 3.28Å; Q235-R237 PolarHBondContact O-N 3.22Å; Q235-R237 VanDerWaalsContact O-N 3.17Å; Q235-K238 HydrophobicContact CB-CB 4.36Å; Q235-K238 HydrophobicContact CB-CD 4.42Å; Q235-K238 WeakPolarHBondContact O-CB 3.16Å; Q235-K238 PolarHBondContact O-N 2.92Å; Q235-A239 PolarHBondContact O-N 3.05Å
236Y86.9Confident89.1Confident24 Ų2440.1 Ų40.19%0.09420%0.202CC..Hα-helixtrans-53.3-40.7-172.3-58.5-51.6000113.5A231 S234 K238 A239 L240 V267 H270 E271 E274A231-Y236 HydrophobicContact CB-CD1 4.37Å; A231-Y236 HydrophobicContact CB-CE1 4.4Å; A231-Y236 VanDerWaalsContact O-CE1 3.29Å; A231-Y236 WeakPolarHBondContact O-CE1 3.42Å; S234-Y236 PolarHBondContact O-N 2.67Å; S234-Y236 VanDerWaalsContact O-N 3.1Å; Y236-K238 PolarHBondContact O-N 2.74Å; Y236-A239 WeakPolarHBondContact O-CB 3.29Å; Y236-A239 PolarHBondContact O-N 2.78Å; Y236-L240 WeakPolarHBondContact O-CB 3.37Å; Y236-L240 WeakPolarHBondContact O-CG 3.19Å; Y236-L240 PolarHBondContact O-N 3.43Å; Y236-V267 HydrophobicContact CD1-CG1 3.91Å; Y236-V267 HydrophobicContact CG-CG1 4.47Å; Y236-H270 HydrophobicContact CE1-CB 4.11Å; Y236-E271 HydrophobicContact CD2-CB 3.69Å; Y236-E271 HydrophobicContact CD2-CG 3.82Å; Y236-E271 HydrophobicContact CE2-CB 4.19Å; Y236-E271 HydrophobicContact CG-CB 3.94Å; Y236-E271 HydrophobicContact CG-CG 4.28Å; Y236-E274 HydrophobicContact CE2-CB 4.3Å; Y236-E274 VanDerWaalsContact CE2-OE2 3.24Å; Y236-E274 WeakPolarHBondContact CE2-OE2 3.5Å; Y236-E274 PolarHBondContact OH-OE2 2.92Å; Y236-E274 VanDerWaalsContact OH-OE2 3.04Å
237R91.3Very high88.9Confident159 Ų15940.5 Ų40.560%0.620%0.203SC*.Hα-helixtrans-57.4-43.7175.3-63.8-177.1-175.2172.13112.6Q235 T241 W714Q235-R237 VanDerWaalsContact C-N 3.28Å; Q235-R237 PolarHBondContact O-N 3.22Å; Q235-R237 VanDerWaalsContact O-N 3.17Å; R237-T241 VanDerWaalsContact O-CG2 3.27Å; R237-T241 WeakPolarHBondContact O-CG2 3.49Å; R237-T241 PolarHBondContact O-N 3.5Å; R237-T241 PolarHBondContact O-OG1 3.13Å; R237-W714 VanDerWaalsContact NH1-CZ2 3.28Å
238K90.4Very high88.9Confident57 Ų5745.9 Ų45.925%0.24823%0.232CC..Hα-helixtrans-61.8-52.1175.3-75.4-169.5179.9175.90110.2D210 Y230 Q235 Y236 L240 T241 I242D210-K238 IonicContact OD1-NZ 2.76Å; D210-K238 PolarHBondContact OD1-NZ 3.03Å; D210-K238 IonicContact OD2-NZ 3.67Å; D210-K238 PolarHBondContact OD2-NZ 2.97Å; Y230-K238 HydrophobicContact CD1-CB 4.16Å; Y230-K238 HydrophobicContact CD1-CD 3.69Å; Y230-K238 HydrophobicContact CD2-CB 4.09Å; Y230-K238 HydrophobicContact CE1-CD 3.55Å; Y230-K238 HydrophobicContact CG-CB 3.9Å; Y230-K238 HydrophobicContact CG-CD 4.27Å; Q235-K238 HydrophobicContact CB-CB 4.36Å; Q235-K238 HydrophobicContact CB-CD 4.42Å; Q235-K238 WeakPolarHBondContact O-CB 3.16Å; Q235-K238 PolarHBondContact O-N 2.92Å; Y236-K238 PolarHBondContact O-N 2.74Å; K238-L240 PolarHBondContact O-N 3.37Å; K238-T241 PolarHBondContact O-N 3.23Å; K238-T241 PolarHBondContact O-OG1 2.96Å; K238-I242 WeakPolarHBondContact O-CD1 3.5Å; K238-I242 WeakPolarHBondContact O-CG1 3.34Å; K238-I242 PolarHBondContact O-N 3.22Å; K238-I242 VanDerWaalsContact O-N 3.1Å
239A89.4Confident88.8Confident0 Ų047.8 Ų47.80%025%0.249CC..Hα-helixtrans-52.1-53.1178.700000111.8S227 A231 Q235 Y236 T241 I242 L243 V267S227-A239 WeakPolarHBondContact O-CB 3.44Å; A231-A239 HydrophobicContact CB-CB 4.45Å; Q235-A239 PolarHBondContact O-N 3.05Å; Y236-A239 WeakPolarHBondContact O-CB 3.29Å; Y236-A239 PolarHBondContact O-N 2.78Å; A239-T241 PolarHBondContact O-N 3.19Å; A239-I242 PolarHBondContact O-N 3.23Å; A239-L243 WeakPolarHBondContact O-CD1 3.23Å; A239-L243 VanDerWaalsContact O-CG 3.23Å; A239-L243 WeakPolarHBondContact O-CG 3Å; A239-L243 PolarHBondContact O-N 3.34Å; A239-V267 HydrophobicContact CB-CG1 4.25Å
240L91.1Very high88.7Confident32 Ų3248.4 Ų48.417%0.16825%0.252CS..Hα-helixtrans-61.8-42.4-179.2-68.3173.1000112.8Y236 K238 I242 Q244 V264 V267 R268Y236-L240 WeakPolarHBondContact O-CB 3.37Å; Y236-L240 WeakPolarHBondContact O-CG 3.19Å; Y236-L240 PolarHBondContact O-N 3.43Å; K238-L240 PolarHBondContact O-N 3.37Å; L240-I242 VanDerWaalsContact C-N 3.34Å; L240-I242 PolarHBondContact O-N 2.88Å; L240-Q244 VanDerWaalsContact O-CB 3.26Å; L240-Q244 WeakPolarHBondContact O-CB 3.36Å; L240-Q244 PolarHBondContact O-N 3.14Å; L240-V264 HydrophobicContact CD2-CB 4.47Å; L240-V264 HydrophobicContact CD2-CG1 4.02Å; L240-V264 HydrophobicContact CD2-CG2 4.5Å; L240-V267 HydrophobicContact CD1-CG1 4.34Å; L240-V267 HydrophobicContact CD2-CB 3.98Å; L240-V267 HydrophobicContact CD2-CG1 3.75Å; L240-V267 HydrophobicContact CG-CG1 3.75Å; L240-R268 HydrophobicContact CD1-CG 4.26Å; L240-R268 HydrophobicContact CD2-CG 4.12Å
241T91.9Very high88.4Confident93 Ų9351.9 Ų51.957%0.57128%0.275SS*.Hα-helixtrans-63.4-38.4177.956.20000113R237 K238 A239 K245R237-T241 VanDerWaalsContact O-CG2 3.27Å; R237-T241 WeakPolarHBondContact O-CG2 3.49Å; R237-T241 PolarHBondContact O-N 3.5Å; R237-T241 PolarHBondContact O-OG1 3.13Å; K238-T241 PolarHBondContact O-N 3.23Å; K238-T241 PolarHBondContact O-OG1 2.96Å; A239-T241 PolarHBondContact O-N 3.19Å; T241-K245 WeakPolarHBondContact O-CB 3.45Å; T241-K245 PolarHBondContact O-N 3.41Å
242I90.3Very high87.8Confident29 Ų2956.2 Ų56.215%0.14930%0.302CS..Hα-helixtrans-72.7-46.1-179.4-68.6161.9000110.9L213 A223 S227 Y230 K238 A239 L240 Q244 K245 I246L213-I242 HydrophobicContact CD1-CD1 3.6Å; L213-I242 HydrophobicContact CD1-CG1 4.47Å; A223-I242 HydrophobicContact CB-CG2 3.59Å; S227-I242 WeakPolarHBondContact OG-CG2 3.31Å; Y230-I242 HydrophobicContact CD2-CD1 3.7Å; Y230-I242 HydrophobicContact CE2-CD1 3.34Å; K238-I242 WeakPolarHBondContact O-CD1 3.5Å; K238-I242 WeakPolarHBondContact O-CG1 3.34Å; K238-I242 PolarHBondContact O-N 3.22Å; K238-I242 VanDerWaalsContact O-N 3.1Å; A239-I242 PolarHBondContact O-N 3.23Å; L240-I242 VanDerWaalsContact C-N 3.34Å; L240-I242 PolarHBondContact O-N 2.88Å; I242-Q244 PolarHBondContact O-N 3.49Å; I242-K245 WeakPolarHBondContact O-CB 3.46Å; I242-K245 PolarHBondContact O-N 3.31Å; I242-I246 PolarHBondContact O-N 2.95Å
243L89.1Confident87.1Confident2 Ų261.2 Ų61.21%0.0132%0.324CS..Hα-helixtrans-58.5-47.7174.6-66.4162.2000111.1S227 A239 K245 I246 I247 A260 Y263 V264 V267S227-L243 WeakPolarHBondContact OG-CG 3.43Å; A239-L243 WeakPolarHBondContact O-CD1 3.23Å; A239-L243 VanDerWaalsContact O-CG 3.23Å; A239-L243 WeakPolarHBondContact O-CG 3Å; A239-L243 PolarHBondContact O-N 3.34Å; L243-K245 VanDerWaalsContact C-N 3.33Å; L243-K245 PolarHBondContact O-N 2.98Å; L243-I246 PolarHBondContact O-N 3.47Å; L243-I246 VanDerWaalsContact O-N 3.1Å; L243-I247 HydrophobicContact CB-CD1 4.47Å; L243-I247 WeakPolarHBondContact O-CD1 3.44Å; L243-I247 VanDerWaalsContact O-CG1 3.29Å; L243-I247 WeakPolarHBondContact O-CG1 3.45Å; L243-I247 PolarHBondContact O-N 3.5Å; L243-A260 HydrophobicContact CD2-CB 4.48Å; L243-Y263 HydrophobicContact CD1-CD1 3.61Å; L243-Y263 HydrophobicContact CD1-CE1 4.31Å; L243-Y263 HydrophobicContact CD2-CD1 3.84Å; L243-Y263 HydrophobicContact CG-CD1 4.33Å; L243-V264 HydrophobicContact CB-CG2 3.58Å; L243-V264 HydrophobicContact CD1-CG2 3.83Å; L243-V264 HydrophobicContact CG-CG2 4.29Å; L243-V267 HydrophobicContact CD1-CG2 4.38Å
244Q91.3Very high86.6Confident78 Ų7862.7 Ų62.736%0.36433%0.328SS..Hα-helixtrans-63-39.4180-17063.864.500111.9L240 I242 I246 N248L240-Q244 VanDerWaalsContact O-CB 3.26Å; L240-Q244 WeakPolarHBondContact O-CB 3.36Å; L240-Q244 PolarHBondContact O-N 3.14Å; I242-Q244 PolarHBondContact O-N 3.49Å; Q244-I246 PolarHBondContact O-N 3Å; Q244-N248 PolarHBondContact NE2-OD1 3.18Å; Q244-N248 WeakPolarHBondContact O-CB 3.4Å; Q244-N248 PolarHBondContact O-N 3.32Å; Q244-N248 VanDerWaalsContact O-N 3.16Å; Q244-N248 PolarHBondContact O-ND2 3.25Å; Q244-N248 PolarHBondContact O-OD1 3.15Å
245K90.1Very high86.3Confident88 Ų8864.3 Ų64.338%0.38335%0.345SS..Hα-helixtrans-56.4-40.8173.9174.7170.3167.7165.50111.4D217 T241 I242 L243 T249D217-K245 IonicContact OD1-NZ 3.88Å; D217-K245 PolarHBondContact OD1-NZ 3.49Å; D217-K245 IonicContact OD2-NZ 3.84Å; D217-K245 PolarHBondContact OD2-NZ 2.87Å; T241-K245 WeakPolarHBondContact O-CB 3.45Å; T241-K245 PolarHBondContact O-N 3.41Å; I242-K245 WeakPolarHBondContact O-CB 3.46Å; I242-K245 PolarHBondContact O-N 3.31Å; L243-K245 VanDerWaalsContact C-N 3.33Å; L243-K245 PolarHBondContact O-N 2.98Å; K245-T249 PolarHBondContact O-N 3.18Å
246I88.1Confident85.8Confident4 Ų464 Ų642%0.02135%0.345CS..Hα-helixtrans-83.6-37.1-176.6-81.3159.7000113.8P220 A223 I242 L243 Q244 N248 T249 L250P220-I246 HydrophobicContact CB-CG2 4.27Å; A223-I246 HydrophobicContact CB-CD1 3.01Å; I242-I246 PolarHBondContact O-N 2.95Å; L243-I246 PolarHBondContact O-N 3.47Å; L243-I246 VanDerWaalsContact O-N 3.1Å; Q244-I246 PolarHBondContact O-N 3Å; I246-N248 PolarHBondContact O-N 2.91Å; I246-N248 VanDerWaalsContact O-N 3.16Å; I246-T249 WeakPolarHBondContact CA-OG1 3.43Å; I246-T249 CarbonylContact O-C 3.6Å; I246-T249 PolarHBondContact O-N 2.76Å; I246-T249 PolarHBondContact O-OG1 3.46Å; I246-L250 HydrophobicContact CG2-CD1 3.61Å; I246-L250 HydrophobicContact CG2-CD2 4.44Å; I246-L250 HydrophobicContact CG2-CG 3.79Å; I246-L250 WeakPolarHBondContact O-CG 3.36Å; I246-L250 PolarHBondContact O-N 3.07Å
247I89.3Confident85.7Confident7 Ų765.5 Ų65.54%0.03635%0.351CS..Hα-helixtrans-55.7-32.8169.9-67.7161.1000110.5L243 R257 A260 E261 V264L243-I247 HydrophobicContact CB-CD1 4.47Å; L243-I247 WeakPolarHBondContact O-CD1 3.44Å; L243-I247 VanDerWaalsContact O-CG1 3.29Å; L243-I247 WeakPolarHBondContact O-CG1 3.45Å; L243-I247 PolarHBondContact O-N 3.5Å; I247-R257 HydrophobicContact CG2-CG 4.4Å; I247-R257 PolarHBondContact O-NH1 3.18Å; I247-A260 HydrophobicContact CD1-CB 4.1Å; I247-A260 HydrophobicContact CG1-CB 3.71Å; I247-E261 HydrophobicContact CD1-CG 3.9Å; I247-E261 HydrophobicContact CG1-CG 4.05Å; I247-E261 HydrophobicContact CG2-CG 3.84Å; I247-V264 HydrophobicContact CD1-CG2 3.64Å
248N88Confident85.2Confident114 Ų11459.6 Ų59.661%0.6134%0.339SS*.THydrogen-bonded Turntrans-74.9-22.6174.8-64-8.8000113.9Q244 I246Q244-N248 PolarHBondContact NE2-OD1 3.18Å; Q244-N248 WeakPolarHBondContact O-CB 3.4Å; Q244-N248 PolarHBondContact O-N 3.32Å; Q244-N248 VanDerWaalsContact O-N 3.16Å; Q244-N248 PolarHBondContact O-ND2 3.25Å; Q244-N248 PolarHBondContact O-OD1 3.15Å; I246-N248 PolarHBondContact O-N 2.91Å; I246-N248 VanDerWaalsContact O-N 3.16Å
249T86.7Confident84.7Confident84 Ų8460.2 Ų60.252%0.51534%0.342SS..THydrogen-bonded Turntrans-93.4-26.7176.4560000114.1K245 I246K245-T249 PolarHBondContact O-N 3.18Å; I246-T249 WeakPolarHBondContact CA-OG1 3.43Å; I246-T249 CarbonylContact O-C 3.6Å; I246-T249 PolarHBondContact O-N 2.76Å; I246-T249 PolarHBondContact O-OG1 3.46Å
250L86.3Confident84.4Confident13 Ų1360.2 Ų60.27%0.06834%0.342CS..SBendtrans-80.3132.9-176.8-64.1178.2000112P220 I246 E254 L256 R257P220-L250 HydrophobicContact CB-CD2 4.23Å; P220-L250 HydrophobicContact CG-CD2 3.74Å; I246-L250 HydrophobicContact CG2-CD1 3.61Å; I246-L250 HydrophobicContact CG2-CD2 4.44Å; I246-L250 HydrophobicContact CG2-CG 3.79Å; I246-L250 WeakPolarHBondContact O-CG 3.36Å; I246-L250 PolarHBondContact O-N 3.07Å; L250-E254 WeakPolarHBondContact CD2-OE2 3.34Å; L250-L256 HydrophobicContact CD1-CB 4.27Å; L250-L256 HydrophobicContact CD1-CD2 4.45Å; L250-L256 HydrophobicContact CD1-CG 4.29Å; L250-R257 HydrophobicContact CB-CB 3.99Å; L250-R257 HydrophobicContact CB-CG 4.32Å; L250-R257 HydrophobicContact CD1-CB 4.12Å; L250-R257 PolarHBondContact O-NH1 3.42Å
251P85.4Confident84.2Confident76 Ų7662.3 Ų62.349%0.49435%0.351SS..  trans-46.4144.1168.2-30.934.5000114N253 E254 R257P251-N253 PolarHBondContact O-N 3.13Å; P251-N253 VanDerWaalsContact O-N 3.14Å; P251-E254 WeakPolarHBondContact CD-OE2 3.29Å; P251-E254 WeakPolarHBondContact O-CB 3.46Å; P251-E254 PolarHBondContact O-N 3.15Å; P251-E254 VanDerWaalsContact O-N 3.17Å; P251-R257 WeakPolarHBondContact O-CD 3.48Å
252P74Confident83.7Confident104 Ų10460.2 Ų60.268%0.67534%0.338SS*.THydrogen-bonded Turntrans-63-24.1-175.424.9-34.9000114.3
253N69.1Low83.3Confident159 Ų15959.5 Ų59.585%0.8533%0.333SS*.THydrogen-bonded Turntrans-95.48.2-177.7-63.8-4.5000113.3P251P251-N253 PolarHBondContact O-N 3.13Å; P251-N253 VanDerWaalsContact O-N 3.14Å
254E78.1Confident83.3Confident72 Ų7259.9 Ų59.934%0.33634%0.336SS..  trans-84.3126.7-178.4-164.8174.6154.100111.1L250 P251 L256 R257 G258L250-E254 WeakPolarHBondContact CD2-OE2 3.34Å; P251-E254 WeakPolarHBondContact CD-OE2 3.29Å; P251-E254 WeakPolarHBondContact O-CB 3.46Å; P251-E254 PolarHBondContact O-N 3.15Å; P251-E254 VanDerWaalsContact O-N 3.17Å; E254-L256 HydrophobicContact CG-CB 4.09Å; E254-L256 PolarHBondContact O-N 3.2Å; E254-L256 VanDerWaalsContact O-N 3.11Å; E254-R257 HydrophobicContact CB-CB 4.39Å; E254-R257 VanDerWaalsContact O-CB 3.28Å; E254-R257 WeakPolarHBondContact O-CB 3.28Å; E254-R257 PolarHBondContact O-N 2.92Å; E254-G258 PolarHBondContact O-N 3.31Å
255A78.1Confident83.1Confident92 Ų9262.7 Ų62.776%0.7634%0.343SS*.Hα-helixtrans-55.5-33.1179.500000112.6R257 G258 F259A255-R257 VanDerWaalsContact C-N 3.3Å; A255-R257 PolarHBondContact O-N 3.39Å; A255-G258 PolarHBondContact O-N 2.99Å; A255-F259 PolarHBondContact O-N 3.05Å
256L78.1Confident82.7Confident57 Ų5758.6 Ų58.630%0.29833%0.325SS..Hα-helixtrans-66.7-29.3177.6-162.463.3000113.2P220 I224 L250 E254 A260P220-L256 HydrophobicContact CB-CD2 3.42Å; P220-L256 VanDerWaalsContact CB-CD2 3.42Å; P220-L256 HydrophobicContact CG-CD2 4.36Å; I224-L256 HydrophobicContact CD1-CD1 3.46Å; I224-L256 VanDerWaalsContact CD1-CD1 3.46Å; I224-L256 HydrophobicContact CD1-CD2 4.23Å; I224-L256 HydrophobicContact CD1-CG 3.69Å; L250-L256 HydrophobicContact CD1-CB 4.27Å; L250-L256 HydrophobicContact CD1-CD2 4.45Å; L250-L256 HydrophobicContact CD1-CG 4.29Å; E254-L256 HydrophobicContact CG-CB 4.09Å; E254-L256 PolarHBondContact O-N 3.2Å; E254-L256 VanDerWaalsContact O-N 3.11Å; L256-A260 WeakPolarHBondContact O-CB 3.33Å; L256-A260 PolarHBondContact O-N 3.4Å
257R84.2Confident82.6Confident56 Ų5658.4 Ų58.421%0.21133%0.325CS..Hα-helixtrans-68.8-46.8173.9-175.6-171.3169.7115.510.9110.9I247 L250 P251 E254 A255 F259 A260 E261I247-R257 HydrophobicContact CG2-CG 4.4Å; I247-R257 PolarHBondContact O-NH1 3.18Å; L250-R257 HydrophobicContact CB-CB 3.99Å; L250-R257 HydrophobicContact CB-CG 4.32Å; L250-R257 HydrophobicContact CD1-CB 4.12Å; L250-R257 PolarHBondContact O-NH1 3.42Å; P251-R257 WeakPolarHBondContact O-CD 3.48Å; E254-R257 HydrophobicContact CB-CB 4.39Å; E254-R257 VanDerWaalsContact O-CB 3.28Å; E254-R257 WeakPolarHBondContact O-CB 3.28Å; E254-R257 PolarHBondContact O-N 2.92Å; A255-R257 VanDerWaalsContact C-N 3.3Å; A255-R257 PolarHBondContact O-N 3.39Å; R257-F259 VanDerWaalsContact C-N 3.27Å; R257-F259 PolarHBondContact O-N 3.31Å; R257-A260 PolarHBondContact O-N 2.95Å; R257-A260 VanDerWaalsContact O-N 3.12Å; R257-E261 HydrophobicContact CG-CG 4.45Å; R257-E261 IonicContact CZ-OE1 2.89Å; R257-E261 IonicContact NE-OE1 3.64Å; R257-E261 PolarHBondContact NE-OE1 3.04Å; R257-E261 IonicContact NH2-OE1 2.78Å; R257-E261 PolarHBondContact NH2-OE1 3.47Å; R257-E261 VanDerWaalsContact NH2-OE1 3.07Å; R257-E261 WeakPolarHBondContact O-CG 3.1Å; R257-E261 PolarHBondContact O-N 2.94Å
258G81.1Confident82.6Confident34 Ų3462.8 Ų62.835%0.35134%0.341SS..Hα-helixtrans-59.9-38.5175.200000112.2E254 A255 T262E254-G258 PolarHBondContact O-N 3.31Å; A255-G258 PolarHBondContact O-N 2.99Å; G258-T262 WeakPolarHBondContact O-CB 3.33Å; G258-T262 PolarHBondContact O-N 3.43Å; G258-T262 PolarHBondContact O-OG1 3.22Å
259F79.7Confident82.4Confident71 Ų7157.8 Ų57.831%0.31132%0.315SS..Hα-helixtrans-61-48.4171.2-174.4-88.9000112.1L46 I224 A255 R257 T262 Y263L46-F259 HydrophobicContact CD1-CE2 4.09Å; L46-F259 HydrophobicContact CD2-CE2 4.45Å; L46-F259 HydrophobicContact CD2-CZ 4.5Å; I224-F259 HydrophobicContact CD1-CD1 4.27Å; I224-F259 HydrophobicContact CG2-CD1 4.21Å; I224-F259 HydrophobicContact CG2-CE1 3.68Å; A255-F259 PolarHBondContact O-N 3.05Å; R257-F259 VanDerWaalsContact C-N 3.27Å; R257-F259 PolarHBondContact O-N 3.31Å; F259-T262 WeakPolarHBondContact O-CB 3.5Å; F259-T262 PolarHBondContact O-N 3.48Å; F259-Y263 WeakPolarHBondContact O-CB 2.84Å; F259-Y263 PolarHBondContact O-N 3.14Å
260A83Confident82.2Confident0 Ų057.1 Ų57.10%031%0.305CS..Hα-helixtrans-64.8-40.4178.900000113.2L243 I247 L256 R257 T262 Y263 V264L243-A260 HydrophobicContact CD2-CB 4.48Å; I247-A260 HydrophobicContact CD1-CB 4.1Å; I247-A260 HydrophobicContact CG1-CB 3.71Å; L256-A260 WeakPolarHBondContact O-CB 3.33Å; L256-A260 PolarHBondContact O-N 3.4Å; R257-A260 PolarHBondContact O-N 2.95Å; R257-A260 VanDerWaalsContact O-N 3.12Å; A260-T262 VanDerWaalsContact C-N 3.32Å; A260-T262 PolarHBondContact O-N 2.88Å; A260-Y263 PolarHBondContact O-N 2.92Å; A260-V264 WeakPolarHBondContact O-CG2 3.37Å; A260-V264 PolarHBondContact O-N 3.08Å
261E86.2Confident82.2Confident76 Ų7659.2 Ų59.236%0.35532%0.315SS..Hα-helixtrans-63.9-37175.1-72.8176-178.800111.7I247 R257 V264 R265I247-E261 HydrophobicContact CD1-CG 3.9Å; I247-E261 HydrophobicContact CG1-CG 4.05Å; I247-E261 HydrophobicContact CG2-CG 3.84Å; R257-E261 HydrophobicContact CG-CG 4.45Å; R257-E261 IonicContact CZ-OE1 2.89Å; R257-E261 IonicContact NE-OE1 3.64Å; R257-E261 PolarHBondContact NE-OE1 3.04Å; R257-E261 IonicContact NH2-OE1 2.78Å; R257-E261 PolarHBondContact NH2-OE1 3.47Å; R257-E261 VanDerWaalsContact NH2-OE1 3.07Å; R257-E261 WeakPolarHBondContact O-CG 3.1Å; R257-E261 PolarHBondContact O-N 2.94Å; E261-V264 PolarHBondContact O-N 3.26Å; E261-R265 PolarHBondContact O-N 3.31Å
262T81.8Confident82.2Confident48 Ų4858.7 Ų58.729%0.29431%0.305SS..Hα-helixtrans-65.4-41.9171.6-53.40000111V43 L46 G258 F259 A260 V264 R265 A266V43-T262 HydrophobicContact CG1-CG2 3.41Å; V43-T262 VanDerWaalsContact CG1-CG2 3.41Å; L46-T262 HydrophobicContact CD1-CG2 4.41Å; L46-T262 HydrophobicContact CD2-CG2 4Å; G258-T262 WeakPolarHBondContact O-CB 3.33Å; G258-T262 PolarHBondContact O-N 3.43Å; G258-T262 PolarHBondContact O-OG1 3.22Å; F259-T262 WeakPolarHBondContact O-CB 3.5Å; F259-T262 PolarHBondContact O-N 3.48Å; A260-T262 VanDerWaalsContact C-N 3.32Å; A260-T262 PolarHBondContact O-N 2.88Å; T262-V264 VanDerWaalsContact C-N 3.33Å; T262-V264 PolarHBondContact O-N 3.44Å; T262-R265 PolarHBondContact O-N 2.84Å; T262-A266 WeakPolarHBondContact O-CB 3.3Å; T262-A266 PolarHBondContact O-N 2.9Å; T262-A266 VanDerWaalsContact O-N 3.11Å
263Y82.8Confident82.5Confident14 Ų1454.7 Ų54.76%0.05528%0.278CS..Hα-helixtrans-65.6-32.5178-155.8-106.9000112.7L46 Y228 L243 F259 A260 A266 V267L46-Y263 HydrophobicContact CD2-CD2 3.72Å; Y228-Y263 VanDerWaalsContact CA-OH 3.29Å; Y228-Y263 WeakPolarHBondContact CA-OH 3.19Å; Y228-Y263 AromaticContact CD2-CE2 3.95Å; Y228-Y263 HydrophobicContact CD2-CE2 3.95Å; Y228-Y263 AromaticContact CD2-CZ 3.81Å; Y228-Y263 VanDerWaalsContact CD2-OH 3.24Å; Y228-Y263 WeakPolarHBondContact CD2-OH 3.49Å; L243-Y263 HydrophobicContact CD1-CD1 3.61Å; L243-Y263 HydrophobicContact CD1-CE1 4.31Å; L243-Y263 HydrophobicContact CD2-CD1 3.84Å; L243-Y263 HydrophobicContact CG-CD1 4.33Å; F259-Y263 WeakPolarHBondContact O-CB 2.84Å; F259-Y263 PolarHBondContact O-N 3.14Å; A260-Y263 PolarHBondContact O-N 2.92Å; Y263-A266 WeakPolarHBondContact O-CB 3.35Å; Y263-A266 PolarHBondContact O-N 3.37Å; Y263-V267 HydrophobicContact CD1-CG2 3.93Å; Y263-V267 HydrophobicContact CE1-CG2 3.58Å; Y263-V267 VanDerWaalsContact O-CG2 3.3Å; Y263-V267 WeakPolarHBondContact O-CG2 3.31Å; Y263-V267 PolarHBondContact O-N 3.3Å
264V88.2Confident83Confident11 Ų1149.8 Ų49.87%0.06725%0.25CC..Hα-helixtrans-62.6-44.2173.9165.30000112.3L240 L243 I247 A260 E261 T262 R268L240-V264 HydrophobicContact CD2-CB 4.47Å; L240-V264 HydrophobicContact CD2-CG1 4.02Å; L240-V264 HydrophobicContact CD2-CG2 4.5Å; L243-V264 HydrophobicContact CB-CG2 3.58Å; L243-V264 HydrophobicContact CD1-CG2 3.83Å; L243-V264 HydrophobicContact CG-CG2 4.29Å; I247-V264 HydrophobicContact CD1-CG2 3.64Å; A260-V264 WeakPolarHBondContact O-CG2 3.37Å; A260-V264 PolarHBondContact O-N 3.08Å; E261-V264 PolarHBondContact O-N 3.26Å; T262-V264 VanDerWaalsContact C-N 3.33Å; T262-V264 PolarHBondContact O-N 3.44Å; V264-R268 WeakPolarHBondContact O-CG 3.48Å; V264-R268 PolarHBondContact O-N 3.04Å; V264-R268 VanDerWaalsContact O-N 3.16Å
265R86.7Confident83.2Confident137 Ų13749.5 Ų49.552%0.51725%0.253SS..Hα-helixtrans-63.1-47.5175.6-63.6-176.1-165.6179.24110.7D40 V43 E261 T262 V267 R268 C269D40-R265 HydrophobicContact CB-CB 4.44Å; D40-R265 CarbonylContact O-C 3.4Å; V43-R265 HydrophobicContact CG2-CB 3.78Å; E261-R265 PolarHBondContact O-N 3.31Å; T262-R265 PolarHBondContact O-N 2.84Å; R265-V267 VanDerWaalsContact C-N 3.35Å; R265-V267 PolarHBondContact O-N 3.3Å; R265-R268 WeakPolarHBondContact O-CB 3.4Å; R265-R268 PolarHBondContact O-N 3.21Å; R265-C269 PolarHBondContact O-N 3.41Å
266A82.8Confident83.3Confident1 Ų146.6 Ų46.61%0.00823%0.226CC..Hα-helixtrans-52.8-49.8177.100000112.1F47 T262 Y263 R268 C269 H270F47-A266 HydrophobicContact CD2-CB 4.22Å; F47-A266 VanDerWaalsContact CE2-CA 3.43Å; F47-A266 HydrophobicContact CE2-CB 3.37Å; F47-A266 WeakPolarHBondContact CE2-O 3.34Å; F47-A266 HydrophobicContact CZ-CB 3.56Å; F47-A266 VanDerWaalsContact CZ-O 3.24Å; F47-A266 WeakPolarHBondContact CZ-O 3.34Å; T262-A266 WeakPolarHBondContact O-CB 3.3Å; T262-A266 PolarHBondContact O-N 2.9Å; T262-A266 VanDerWaalsContact O-N 3.11Å; Y263-A266 WeakPolarHBondContact O-CB 3.35Å; Y263-A266 PolarHBondContact O-N 3.37Å; A266-R268 PolarHBondContact O-N 3.05Å; A266-C269 WeakPolarHBondContact O-CB 3.16Å; A266-C269 PolarHBondContact O-N 2.93Å; A266-H270 PolarHBondContact O-N 3.06Å
267V85.6Confident83.3Confident1 Ų147.2 Ų47.21%0.00623%0.229CC..Hα-helixtrans-62.6-38.2177.61720000112.6A231 Y236 A239 L240 L243 Y263 R265 H270 E271A231-V267 HydrophobicContact CB-CG2 3.89Å; Y236-V267 HydrophobicContact CD1-CG1 3.91Å; Y236-V267 HydrophobicContact CG-CG1 4.47Å; A239-V267 HydrophobicContact CB-CG1 4.25Å; L240-V267 HydrophobicContact CD1-CG1 4.34Å; L240-V267 HydrophobicContact CD2-CB 3.98Å; L240-V267 HydrophobicContact CD2-CG1 3.75Å; L240-V267 HydrophobicContact CG-CG1 3.75Å; L243-V267 HydrophobicContact CD1-CG2 4.38Å; Y263-V267 HydrophobicContact CD1-CG2 3.93Å; Y263-V267 HydrophobicContact CE1-CG2 3.58Å; Y263-V267 VanDerWaalsContact O-CG2 3.3Å; Y263-V267 WeakPolarHBondContact O-CG2 3.31Å; Y263-V267 PolarHBondContact O-N 3.3Å; R265-V267 VanDerWaalsContact C-N 3.35Å; R265-V267 PolarHBondContact O-N 3.3Å; V267-H270 PolarHBondContact O-N 3.24Å; V267-E271 PolarHBondContact O-N 3.32Å
268R88.1Confident83.1Confident98 Ų9849.1 Ų49.137%0.3724%0.24SC..Hα-helixtrans-67.5-39176.3-72.2174.8-175.5169.52.3113.2D40 L240 V264 R265 A266 H270 E271 K272D40-R268 HydrophobicContact CB-CB 4.07Å; D40-R268 IonicContact OD1-NH1 3.37Å; L240-R268 HydrophobicContact CD1-CG 4.26Å; L240-R268 HydrophobicContact CD2-CG 4.12Å; V264-R268 WeakPolarHBondContact O-CG 3.48Å; V264-R268 PolarHBondContact O-N 3.04Å; V264-R268 VanDerWaalsContact O-N 3.16Å; R265-R268 WeakPolarHBondContact O-CB 3.4Å; R265-R268 PolarHBondContact O-N 3.21Å; A266-R268 PolarHBondContact O-N 3.05Å; R268-H270 VanDerWaalsContact C-N 3.28Å; R268-H270 PolarHBondContact O-N 2.82Å; R268-E271 PolarHBondContact O-N 3.12Å; R268-K272 WeakPolarHBondContact O-CG 3.47Å; R268-K272 PolarHBondContact O-N 2.87Å
269C85.1Confident83.1Confident10 Ų1053.8 Ų53.87%0.06825%0.253CS..Hα-helixtrans-57.3-45.3173.9177.70000110.7C41 R265 A266 K272 L273C41-C269 WeakPolarHBondContact CA-SG 3.18Å; C41-C269 HydrophobicContact CB-CB 4Å; C41-C269 WeakPolarHBondContact CB-SG 3.18Å; C41-C269 WeakPolarHBondContact SG-CB 3.38Å; C41-C269 CovalentContact SG-SG 2.04Å; C41-C269 PolarHBondContact SG-SG 3.42Å; R265-C269 PolarHBondContact O-N 3.41Å; A266-C269 WeakPolarHBondContact O-CB 3.16Å; A266-C269 PolarHBondContact O-N 2.93Å; C269-K272 PolarHBondContact O-N 3.31Å; C269-L273 WeakPolarHBondContact O-CB 3.48Å; C269-L273 PolarHBondContact O-N 3.31Å
270H83Confident82.8Confident69 Ų6952.7 Ų52.732%0.31925%0.249SC..Hα-helixtrans-66.1-41.5176.3-89.9-108.1000113.6F47 Y236 A266 V267 R268 K272 L273 E274F47-H270 AromaticContact CD1-NE2 3.55Å; F47-H270 AromaticContact CD2-CD2 3.93Å; F47-H270 AromaticContact CD2-NE2 3.8Å; F47-H270 AromaticContact CE1-CD2 3.53Å; F47-H270 AromaticContact CE1-NE2 3.37Å; F47-H270 WeakPolarHBondContact CE1-NE2 3.33Å; F47-H270 AromaticContact CE2-CD2 3.25Å; F47-H270 WeakPolarHBondContact CE2-CD2 3.15Å; F47-H270 AromaticContact CE2-NE2 3.58Å; F47-H270 AromaticContact CG-NE2 3.78Å; F47-H270 AromaticContact CZ-CD2 3.03Å; F47-H270 WeakPolarHBondContact CZ-CD2 3.43Å; F47-H270 AromaticContact CZ-CG 3.86Å; F47-H270 AromaticContact CZ-NE2 3.39Å; F47-H270 WeakPolarHBondContact CZ-NE2 3.39Å; Y236-H270 HydrophobicContact CE1-CB 4.11Å; A266-H270 PolarHBondContact O-N 3.06Å; V267-H270 PolarHBondContact O-N 3.24Å; R268-H270 VanDerWaalsContact C-N 3.28Å; R268-H270 PolarHBondContact O-N 2.82Å; H270-K272 PolarHBondContact O-N 3.09Å; H270-L273 PolarHBondContact O-N 2.68Å; H270-E274 PolarHBondContact O-N 2.82Å
271E86.2Confident82.5Confident58 Ų5858.6 Ų58.627%0.27128%0.276SS..Hα-helixtrans-58.1-47175.6-176.4172.1-14900111.3Y236 V267 R268 T275Y236-E271 HydrophobicContact CD2-CB 3.69Å; Y236-E271 HydrophobicContact CD2-CG 3.82Å; Y236-E271 HydrophobicContact CE2-CB 4.19Å; Y236-E271 HydrophobicContact CG-CB 3.94Å; Y236-E271 HydrophobicContact CG-CG 4.28Å; V267-E271 PolarHBondContact O-N 3.32Å; R268-E271 PolarHBondContact O-N 3.12Å; E271-T275 WeakPolarHBondContact O-CG2 3.38Å; E271-T275 PolarHBondContact O-N 3.18Å; E271-T275 PolarHBondContact O-OG1 3.17Å; E271-T275 VanDerWaalsContact O-OG1 3.05Å
272K84.1Confident82.1Confident64 Ų6459.9 Ų59.928%0.27828%0.284SS..Hα-helixtrans-62.1-46.2175.9-66.7174.7-164172.70112D38 D40 R268 C269 H270 T275 V276D38-K272 IonicContact OD1-NZ 3.78Å; D38-K272 PolarHBondContact OD1-NZ 2.94Å; D38-K272 WeakPolarHBondContact OD2-CD 3.5Å; D38-K272 WeakPolarHBondContact OD2-CE 3.33Å; D38-K272 IonicContact OD2-NZ 2.83Å; D38-K272 PolarHBondContact OD2-NZ 3.34Å; D40-K272 IonicContact OD2-NZ 3.63Å; D40-K272 PolarHBondContact OD2-NZ 2.75Å; R268-K272 WeakPolarHBondContact O-CG 3.47Å; R268-K272 PolarHBondContact O-N 2.87Å; C269-K272 PolarHBondContact O-N 3.31Å; H270-K272 PolarHBondContact O-N 3.09Å; K272-T275 WeakPolarHBondContact CA-OG1 3.35Å; K272-T275 PolarHBondContact O-N 3.37Å; K272-T275 PolarHBondContact O-OG1 3.4Å; K272-V276 WeakPolarHBondContact O-CG2 3.42Å; K272-V276 PolarHBondContact O-N 3.26Å; K272-V276 VanDerWaalsContact O-N 3.12Å
273L81Confident81.8Confident21 Ų2159.2 Ų59.211%0.1128%0.279CS..Hα-helixtrans-64.2-44.2-178.7-176.962000111.8E31 C269 H270 L277E31-L273 HydrophobicContact CB-CD1 3.89Å; E31-L273 HydrophobicContact CG-CD1 3.88Å; E31-L273 HydrophobicContact CG-CD2 4.45Å; C269-L273 WeakPolarHBondContact O-CB 3.48Å; C269-L273 PolarHBondContact O-N 3.31Å; H270-L273 PolarHBondContact O-N 2.68Å; L273-L277 HydrophobicContact CD1-CD1 4.01Å; L273-L277 HydrophobicContact CD1-CG 4.27Å; L273-L277 HydrophobicContact CG-CD1 3.94Å; L273-L277 WeakPolarHBondContact O-CB 3.43Å; L273-L277 VanDerWaalsContact O-CG 3.28Å; L273-L277 WeakPolarHBondContact O-CG 3.36Å; L273-L277 PolarHBondContact O-N 2.94Å; L273-L277 VanDerWaalsContact O-N 3.09Å
274E79.9Confident81.1Confident56 Ų5662.6 Ų62.626%0.26230%0.298SS..Hα-helixtrans-63.5-45.4176.8-168-178.8168.600111S234 Y236 H270 V276 L277 Q278S234-E274 VanDerWaalsContact CB-OE2 3.26Å; S234-E274 WeakPolarHBondContact CB-OE2 3.43Å; S234-E274 PolarHBondContact OG-OE2 2.76Å; Y236-E274 HydrophobicContact CE2-CB 4.3Å; Y236-E274 VanDerWaalsContact CE2-OE2 3.24Å; Y236-E274 WeakPolarHBondContact CE2-OE2 3.5Å; Y236-E274 PolarHBondContact OH-OE2 2.92Å; Y236-E274 VanDerWaalsContact OH-OE2 3.04Å; H270-E274 PolarHBondContact O-N 2.82Å; E274-V276 PolarHBondContact O-N 2.94Å; E274-L277 PolarHBondContact O-N 3.28Å; E274-Q278 HydrophobicContact CG-CG 4.21Å; E274-Q278 WeakPolarHBondContact O-CB 3.32Å; E274-Q278 VanDerWaalsContact O-CG 3.29Å; E274-Q278 WeakPolarHBondContact O-CG 3.27Å; E274-Q278 PolarHBondContact O-N 2.9Å; E274-Q278 PolarHBondContact OE1-NE2 3.2Å
275T82.7Confident80.5Confident65 Ų6567.2 Ų67.240%0.39932%0.317SS..Hα-helixtrans-58.8-44179.548.50000113E271 K272 Q278 E279E271-T275 WeakPolarHBondContact O-CG2 3.38Å; E271-T275 PolarHBondContact O-N 3.18Å; E271-T275 PolarHBondContact O-OG1 3.17Å; E271-T275 VanDerWaalsContact O-OG1 3.05Å; K272-T275 WeakPolarHBondContact CA-OG1 3.35Å; K272-T275 PolarHBondContact O-N 3.37Å; K272-T275 PolarHBondContact O-OG1 3.4Å; T275-Q278 PolarHBondContact O-N 3.2Å; T275-E279 WeakPolarHBondContact O-CG 3.45Å; T275-E279 PolarHBondContact O-N 3.05Å
276V79.2Confident79.9Confident32 Ų3262.9 Ų62.919%0.19431%0.306CS..Hα-helixtrans-70.4-37.7-179.2173.40000111.9I30 I34 K272 E274 Q278 E279 Q280I30-V276 HydrophobicContact CD1-CG1 3.31Å; I30-V276 HydrophobicContact CG1-CG1 3.66Å; I30-V276 HydrophobicContact CG2-CG1 4.13Å; I34-V276 HydrophobicContact CD1-CB 3.9Å; I34-V276 HydrophobicContact CD1-CG1 3.84Å; I34-V276 HydrophobicContact CD1-CG2 3.83Å; K272-V276 WeakPolarHBondContact O-CG2 3.42Å; K272-V276 PolarHBondContact O-N 3.26Å; K272-V276 VanDerWaalsContact O-N 3.12Å; E274-V276 PolarHBondContact O-N 2.94Å; V276-Q278 VanDerWaalsContact C-N 3.35Å; V276-E279 PolarHBondContact O-N 3.44Å; V276-Q280 PolarHBondContact O-N 2.88Å
277L77.1Confident79.4Confident70 Ų7063.9 Ų63.937%0.36631%0.311SS..Hα-helixtrans-68.2-33.8174.1-69.3172.6000112.2L273 E274 H281L273-L277 HydrophobicContact CD1-CD1 4.01Å; L273-L277 HydrophobicContact CD1-CG 4.27Å; L273-L277 HydrophobicContact CG-CD1 3.94Å; L273-L277 WeakPolarHBondContact O-CB 3.43Å; L273-L277 VanDerWaalsContact O-CG 3.28Å; L273-L277 WeakPolarHBondContact O-CG 3.36Å; L273-L277 PolarHBondContact O-N 2.94Å; L273-L277 VanDerWaalsContact O-N 3.09Å; E274-L277 PolarHBondContact O-N 3.28Å; L277-H281 WeakPolarHBondContact O-CB 3.32Å; L277-H281 PolarHBondContact O-N 3.39Å
278Q81.1Confident78.5Confident95 Ų9569.7 Ų69.744%0.44434%0.339SS..Hα-helixtrans-66.6-43.8172.9-74.8179.63.600111.8E274 T275 V276 H281 I282E274-Q278 HydrophobicContact CG-CG 4.21Å; E274-Q278 WeakPolarHBondContact O-CB 3.32Å; E274-Q278 VanDerWaalsContact O-CG 3.29Å; E274-Q278 WeakPolarHBondContact O-CG 3.27Å; E274-Q278 PolarHBondContact O-N 2.9Å; E274-Q278 PolarHBondContact OE1-NE2 3.2Å; T275-Q278 PolarHBondContact O-N 3.2Å; V276-Q278 VanDerWaalsContact C-N 3.35Å; Q278-H281 PolarHBondContact O-N 2.74Å; Q278-I282 VanDerWaalsContact O-CG1 3.31Å; Q278-I282 WeakPolarHBondContact O-CG1 3.42Å; Q278-I282 PolarHBondContact O-N 3.13Å
279E80.1Confident77.7Confident133 Ų13369.8 Ų69.862%0.62134%0.344SS*.Hα-helixtrans-59.3-46.2175.1-74.7178.1177.800111.5T275 V276 H281 I282 N283T275-E279 WeakPolarHBondContact O-CG 3.45Å; T275-E279 PolarHBondContact O-N 3.05Å; V276-E279 PolarHBondContact O-N 3.44Å; E279-H281 PolarHBondContact O-N 3.44Å; E279-I282 PolarHBondContact O-N 3.36Å; E279-N283 PolarHBondContact O-N 2.93Å
280Q75.3Confident76.9Confident48 Ų4871.8 Ų71.822%0.22435%0.352CS..Hα-helixtrans-61.7-40.6174.9-172.2172.237.800112.2D27 V276 N283 L284D27-Q280 PolarHBondContact O-NE2 2.96Å; D27-Q280 VanDerWaalsContact O-NE2 3.12Å; V276-Q280 PolarHBondContact O-N 2.88Å; Q280-N283 PolarHBondContact O-N 3.49Å; Q280-L284 WeakPolarHBondContact O-CB 3.49Å; Q280-L284 PolarHBondContact O-N 3.12Å
281H75.6Confident76.2Confident124 Ų12471.5 Ų71.557%0.57436%0.355SS*.Hα-helixtrans-65-40.6176.3-17774.6000112.5L277 Q278 E279 K285L277-H281 WeakPolarHBondContact O-CB 3.32Å; L277-H281 PolarHBondContact O-N 3.39Å; Q278-H281 PolarHBondContact O-N 2.74Å; E279-H281 PolarHBondContact O-N 3.44Å; H281-K285 WeakPolarHBondContact O-CB 3.49Å; H281-K285 PolarHBondContact O-N 2.95Å
282I77.1Confident75.3Confident102 Ų10274.6 Ų74.652%0.52337%0.37SS..Hα-helixtrans-64.8-47176-69.9161.7000110.2Q278 E279 L284 K285 T286Q278-I282 VanDerWaalsContact O-CG1 3.31Å; Q278-I282 WeakPolarHBondContact O-CG1 3.42Å; Q278-I282 PolarHBondContact O-N 3.13Å; E279-I282 PolarHBondContact O-N 3.36Å; I282-L284 PolarHBondContact O-N 2.68Å; I282-K285 PolarHBondContact O-N 3.48Å; I282-T286 WeakPolarHBondContact O-CG2 3.29Å; I282-T286 PolarHBondContact O-N 3.22Å; I282-T286 PolarHBondContact O-OG1 3.49Å
283N76Confident74.3Confident35 Ų3574.4 Ų74.419%0.18738%0.376CS..Hα-helixtrans-58.2-47.9177.5-16925.6000111.1R22 D26 E279 Q280 K285 T286 L287R22-N283 WeakPolarHBondContact CD-OD1 3.44Å; D26-N283 PolarHBondContact OD1-ND2 2.98Å; D26-N283 PolarHBondContact OD2-ND2 3.49Å; D26-N283 VanDerWaalsContact OD2-ND2 3.13Å; E279-N283 PolarHBondContact O-N 2.93Å; Q280-N283 PolarHBondContact O-N 3.49Å; N283-K285 PolarHBondContact O-N 2.93Å; N283-T286 PolarHBondContact O-N 3.05Å; N283-T286 PolarHBondContact O-OG1 3.15Å; N283-L287 WeakPolarHBondContact O-CB 3.5Å; N283-L287 PolarHBondContact O-N 3.26Å
284L69.3Low73.5Confident84 Ų8475.2 Ų75.244%0.4438%0.378SS..Hα-helixtrans-61.6-42.2176.3-174.864.6000112.6Q280 I282 L287 M288Q280-L284 WeakPolarHBondContact O-CB 3.49Å; Q280-L284 PolarHBondContact O-N 3.12Å; I282-L284 PolarHBondContact O-N 2.68Å; L284-L287 PolarHBondContact O-N 2.85Å; L284-M288 WeakPolarHBondContact O-CG 3.48Å; L284-M288 PolarHBondContact O-N 3.01Å
285K75Confident72.8Confident108 Ų10877.3 Ų77.347%0.4739%0.387SS..Hα-helixtrans-62.6-48.4177-177.8177.5-178.3-81.60111.5H281 I282 N283 L287 M288 E289H281-K285 WeakPolarHBondContact O-CB 3.49Å; H281-K285 PolarHBondContact O-N 2.95Å; I282-K285 PolarHBondContact O-N 3.48Å; N283-K285 PolarHBondContact O-N 2.93Å; K285-L287 VanDerWaalsContact C-N 3.29Å; K285-L287 PolarHBondContact O-N 3.2Å; K285-M288 WeakPolarHBondContact O-CB 3.43Å; K285-M288 PolarHBondContact O-N 3.39Å; K285-M288 VanDerWaalsContact O-N 3.13Å; K285-E289 WeakPolarHBondContact CE-OE1 3.25Å; K285-E289 IonicContact NZ-OE1 2.89Å; K285-E289 PolarHBondContact NZ-OE1 3.46Å; K285-E289 WeakPolarHBondContact O-CG 3.39Å; K285-E289 PolarHBondContact O-N 3.32Å
286T74.4Confident71.7Confident47 Ų4777.8 Ų77.829%0.28839%0.389SS..Hα-helixtrans-64-35177.358.10000112.3R22 I282 N283 E290R22-T286 PolarHBondContact NH1-OG1 3.45Å; I282-T286 WeakPolarHBondContact O-CG2 3.29Å; I282-T286 PolarHBondContact O-N 3.22Å; I282-T286 PolarHBondContact O-OG1 3.49Å; N283-T286 PolarHBondContact O-N 3.05Å; N283-T286 PolarHBondContact O-OG1 3.15Å; T286-E290 WeakPolarHBondContact O-CB 3.37Å; T286-E290 WeakPolarHBondContact O-CG 3.27Å; T286-E290 PolarHBondContact O-N 3.25Å
287L71.4Confident70.8Confident22 Ų2278.5 Ų78.512%0.11539%0.392CS..Hα-helixtrans-65.5-40.9172.9-178.967.5000111.5I18 I19 R22 N283 L284 K285 V291I18-L287 HydrophobicContact CG2-CD1 4.45Å; I19-L287 HydrophobicContact CG1-CD1 4.06Å; R22-L287 HydrophobicContact CB-CD1 4.38Å; N283-L287 WeakPolarHBondContact O-CB 3.5Å; N283-L287 PolarHBondContact O-N 3.26Å; L284-L287 PolarHBondContact O-N 2.85Å; K285-L287 VanDerWaalsContact C-N 3.29Å; K285-L287 PolarHBondContact O-N 3.2Å; L287-V291 HydrophobicContact CD1-CG2 4.43Å; L287-V291 WeakPolarHBondContact O-CB 3.47Å; L287-V291 VanDerWaalsContact O-CG2 3.22Å; L287-V291 WeakPolarHBondContact O-CG2 3.4Å; L287-V291 PolarHBondContact O-N 2.94Å
288M66.3Low70Confident122 Ų12278.4 Ų78.460%0.60139%0.391SS*.Hα-helixtrans-64.7-45.2176-75.8-178.26400112.4L284 K285 E290 V291 E292L284-M288 WeakPolarHBondContact O-CG 3.48Å; L284-M288 PolarHBondContact O-N 3.01Å; K285-M288 WeakPolarHBondContact O-CB 3.43Å; K285-M288 PolarHBondContact O-N 3.39Å; K285-M288 VanDerWaalsContact O-N 3.13Å; M288-E290 PolarHBondContact O-N 2.72Å; M288-V291 PolarHBondContact O-N 3.48Å; M288-E292 WeakPolarHBondContact O-CB 3.3Å; M288-E292 PolarHBondContact O-N 3.32Å
289E72.5Confident69.1Low100 Ų10078.2 Ų78.247%0.46739%0.39SS..Hα-helixtrans-60.8-43.5177.2-72.6169.1178.800111.4K285 E292 S293K285-E289 WeakPolarHBondContact CE-OE1 3.25Å; K285-E289 IonicContact NZ-OE1 2.89Å; K285-E289 PolarHBondContact NZ-OE1 3.46Å; K285-E289 WeakPolarHBondContact O-CG 3.39Å; K285-E289 PolarHBondContact O-N 3.32Å; E289-E292 PolarHBondContact O-N 3.34Å; E289-S293 PolarHBondContact O-N 3.21Å
290E68.4Low68.1Low53 Ų5378.4 Ų78.425%0.24839%0.391CS..Hα-helixtrans-61.3-52173-78172.7-148.200111.5I18 R22 T286 M288 E292 S293 Y294I18-E290 WeakPolarHBondContact CG2-OE2 3.29Å; R22-E290 IonicContact CZ-OE1 2.67Å; R22-E290 IonicContact CZ-OE2 3.78Å; R22-E290 IonicContact NH1-OE1 2.89Å; R22-E290 PolarHBondContact NH1-OE1 2.93Å; R22-E290 IonicContact NH1-OE2 3.13Å; R22-E290 PolarHBondContact NH1-OE2 3.29Å; R22-E290 IonicContact NH2-OE1 2.63Å; R22-E290 PolarHBondContact NH2-OE1 3.41Å; R22-E290 IonicContact NH2-OE2 3.16Å; R22-E290 PolarHBondContact NH2-OE2 3.06Å; T286-E290 WeakPolarHBondContact O-CB 3.37Å; T286-E290 WeakPolarHBondContact O-CG 3.27Å; T286-E290 PolarHBondContact O-N 3.25Å; M288-E290 PolarHBondContact O-N 2.72Å; E290-E292 VanDerWaalsContact C-N 3.29Å; E290-E292 PolarHBondContact O-N 2.88Å; E290-S293 WeakPolarHBondContact O-CB 3.49Å; E290-S293 PolarHBondContact O-N 3.03Å; E290-S293 VanDerWaalsContact O-N 3.09Å; E290-S293 PolarHBondContact O-OG 3.27Å; E290-Y294 HydrophobicContact CB-CE2 4.24Å; E290-Y294 WeakPolarHBondContact O-CD2 3.5Å; E290-Y294 PolarHBondContact O-N 3.07Å; E290-Y294 VanDerWaalsContact O-N 3.14Å
291V67.4Low67.2Low63 Ų6376.4 Ų76.438%0.38238%0.383SS..Hα-helixtrans-58.7-38.2179168.90000112.1I19 L287 M288 Y294 K295I19-V291 HydrophobicContact CD1-CG2 4.06Å; I19-V291 HydrophobicContact CG1-CG2 4.17Å; L287-V291 HydrophobicContact CD1-CG2 4.43Å; L287-V291 WeakPolarHBondContact O-CB 3.47Å; L287-V291 VanDerWaalsContact O-CG2 3.22Å; L287-V291 WeakPolarHBondContact O-CG2 3.4Å; L287-V291 PolarHBondContact O-N 2.94Å; M288-V291 PolarHBondContact O-N 3.48Å; V291-Y294 PolarHBondContact O-N 3.05Å; V291-K295 PolarHBondContact O-N 3.48Å
292E66.9Low66.3Low122 Ų12279.5 Ų79.557%0.5739%0.39SS*.Hα-helixtrans-69.9-36.1176.1-174.2142.1-128.800112.3M288 E289 E290 Y294 K295M288-E292 WeakPolarHBondContact O-CB 3.3Å; M288-E292 PolarHBondContact O-N 3.32Å; E289-E292 PolarHBondContact O-N 3.34Å; E290-E292 VanDerWaalsContact C-N 3.29Å; E290-E292 PolarHBondContact O-N 2.88Å; E292-Y294 VanDerWaalsContact C-N 3.29Å; E292-Y294 PolarHBondContact O-N 2.93Å; E292-K295 WeakPolarHBondContact O-CB 3.43Å; E292-K295 PolarHBondContact O-N 2.99Å
293S63.8Low65.3Low60 Ų6077.3 Ų77.342%0.4239%0.387SS..Hα-helixtrans-57.8-43.5171.583.40000111.4E289 E290 K295 T296E289-S293 PolarHBondContact O-N 3.21Å; E290-S293 WeakPolarHBondContact O-CB 3.49Å; E290-S293 PolarHBondContact O-N 3.03Å; E290-S293 VanDerWaalsContact O-N 3.09Å; E290-S293 PolarHBondContact O-OG 3.27Å; S293-K295 PolarHBondContact O-N 2.95Å; S293-T296 PolarHBondContact O-N 3.32Å; S293-T296 PolarHBondContact O-OG1 2.88Å
294Y64.3Low64.3Low38 Ų3879.4 Ų79.415%0.14940%0.398CS..Hα-helixtrans-71.5-28.7178.9-67.1-64.3000114.1I11 F14 I15 E290 V291 E292 T296 I297 L298I11-Y294 HydrophobicContact CG2-CD1 3.88Å; I11-Y294 HydrophobicContact CG2-CE1 4.4Å; F14-Y294 HydrophobicContact CD1-CE1 4.45Å; F14-Y294 VanDerWaalsContact CE1-OH 3.25Å; F14-Y294 WeakPolarHBondContact CE1-OH 3.33Å; I15-Y294 VanDerWaalsContact CD1-CB 3.43Å; I15-Y294 HydrophobicContact CD1-CD1 3.62Å; I15-Y294 HydrophobicContact CD1-CD2 4.01Å; I15-Y294 HydrophobicContact CD1-CE1 4.37Å; I15-Y294 HydrophobicContact CD1-CG 3.42Å; I15-Y294 VanDerWaalsContact CD1-CG 3.42Å; I15-Y294 HydrophobicContact CG1-CD1 3.6Å; I15-Y294 HydrophobicContact CG1-CD2 3.51Å; I15-Y294 HydrophobicContact CG1-CE1 3.9Å; I15-Y294 HydrophobicContact CG1-CE2 3.83Å; I15-Y294 HydrophobicContact CG1-CG 3.41Å; I15-Y294 VanDerWaalsContact CG1-CG 3.41Å; E290-Y294 HydrophobicContact CB-CE2 4.24Å; E290-Y294 WeakPolarHBondContact O-CD2 3.5Å; E290-Y294 PolarHBondContact O-N 3.07Å; E290-Y294 VanDerWaalsContact O-N 3.14Å; V291-Y294 PolarHBondContact O-N 3.05Å; E292-Y294 VanDerWaalsContact C-N 3.29Å; E292-Y294 PolarHBondContact O-N 2.93Å; Y294-T296 VanDerWaalsContact C-N 3.27Å; Y294-T296 PolarHBondContact O-N 2.95Å; Y294-I297 HydrophobicContact CD1-CD1 4.27Å; Y294-I297 WeakPolarHBondContact O-CB 3.43Å; Y294-I297 PolarHBondContact O-N 3.39Å; Y294-I297 VanDerWaalsContact O-N 3.13Å; Y294-L298 PolarHBondContact O-N 3.47Å
295K64.7Low63.6Low101 Ų10179.7 Ų79.744%0.43940%0.399SS..Hα-helixtrans-57-41.2176.4-178.3-174.5171.7-1710111.6V291 E292 S293 I297 L298 E299V291-K295 PolarHBondContact O-N 3.48Å; E292-K295 WeakPolarHBondContact O-CB 3.43Å; E292-K295 PolarHBondContact O-N 2.99Å; S293-K295 PolarHBondContact O-N 2.95Å; K295-I297 VanDerWaalsContact C-N 3.32Å; K295-I297 PolarHBondContact O-N 2.76Å; K295-L298 PolarHBondContact O-N 2.83Å; K295-E299 WeakPolarHBondContact CE-OE1 3.49Å; K295-E299 WeakPolarHBondContact O-CG 3.43Å; K295-E299 PolarHBondContact O-N 3Å
296T59.9Low62.6Low74 Ų7481.7 Ų81.745%0.45441%0.405SS..Hα-helixtrans-62.2-38.9177.566.30000112.3S293 Y294 E299 Q300S293-T296 PolarHBondContact O-N 3.32Å; S293-T296 PolarHBondContact O-OG1 2.88Å; Y294-T296 VanDerWaalsContact C-N 3.27Å; Y294-T296 PolarHBondContact O-N 2.95Å; T296-E299 PolarHBondContact O-N 3.25Å; T296-Q300 VanDerWaalsContact O-CG 3.32Å; T296-Q300 WeakPolarHBondContact O-CG 3.49Å; T296-Q300 PolarHBondContact O-N 2.92Å
297I61Low61.7Low48 Ų4884.3 Ų84.325%0.24642%0.417CS..Hα-helixtrans-67.2-42.7176.8-55.1174.3000110.6F7 L8 I11 Y294 K295 Q300 G301F7-I297 HydrophobicContact CE1-CG2 4.43Å; L8-I297 HydrophobicContact CD2-CG2 4.26Å; I11-I297 HydrophobicContact CD1-CD1 4.45Å; I11-I297 HydrophobicContact CD1-CG2 3.88Å; Y294-I297 HydrophobicContact CD1-CD1 4.27Å; Y294-I297 WeakPolarHBondContact O-CB 3.43Å; Y294-I297 PolarHBondContact O-N 3.39Å; Y294-I297 VanDerWaalsContact O-N 3.13Å; K295-I297 VanDerWaalsContact C-N 3.32Å; K295-I297 PolarHBondContact O-N 2.76Å; I297-Q300 PolarHBondContact O-N 2.87Å; I297-G301 PolarHBondContact O-N 2.93Å
298L59.4Low60.6Low67 Ų6786.3 Ų86.335%0.35143%0.428SS..Hα-helixtrans-64.6-38.9175.9-72.7168.4000112.5Y294 K295 G301 R302Y294-L298 PolarHBondContact O-N 3.47Å; K295-L298 PolarHBondContact O-N 2.83Å; L298-G301 PolarHBondContact O-N 3.45Å; L298-R302 WeakPolarHBondContact O-CB 3.18Å; L298-R302 WeakPolarHBondContact O-CG 3.41Å; L298-R302 PolarHBondContact O-N 3.4Å
299E61.7Low59.9Low91 Ų9190.1 Ų90.143%0.42544%0.435SS..Hα-helixtrans-65.6-44.4175.3-75.2-177-171.900111.8K295 T296 G301 R302 A303K295-E299 WeakPolarHBondContact CE-OE1 3.49Å; K295-E299 WeakPolarHBondContact O-CG 3.43Å; K295-E299 PolarHBondContact O-N 3Å; T296-E299 PolarHBondContact O-N 3.25Å; E299-G301 VanDerWaalsContact C-N 3.33Å; E299-G301 PolarHBondContact O-N 2.88Å; E299-R302 PolarHBondContact O-N 3.33Å; E299-A303 PolarHBondContact O-N 3.42Å
300Q59.3Low59Low138 Ų13891 Ų9165%0.64544%0.439SS*.Hα-helixtrans-59.6-43.1173-71.2174.417.100111.7T296 I297 A303 L304T296-Q300 VanDerWaalsContact O-CG 3.32Å; T296-Q300 WeakPolarHBondContact O-CG 3.49Å; T296-Q300 PolarHBondContact O-N 2.92Å; I297-Q300 PolarHBondContact O-N 2.87Å; Q300-A303 PolarHBondContact O-N 3.48Å; Q300-L304 PolarHBondContact O-N 2.96Å; Q300-L304 VanDerWaalsContact O-N 3.09Å
301G56.4Low58.2Low5 Ų591.9 Ų91.95%0.05245%0.448CS..Hα-helixtrans-61.4-43.6175.400000113.6L8 I297 L298 E299 L304 L305L8-G301 VanDerWaalsContact CD1-CA 3.48Å; I297-G301 PolarHBondContact O-N 2.93Å; L298-G301 PolarHBondContact O-N 3.45Å; E299-G301 VanDerWaalsContact C-N 3.33Å; E299-G301 PolarHBondContact O-N 2.88Å; G301-L304 PolarHBondContact O-N 3.07Å; G301-L305 WeakPolarHBondContact O-CG 3.21Å; G301-L305 PolarHBondContact O-N 3.45Å
302R57.6Low57.5Low190 Ų19095.5 Ų95.572%0.71747%0.47SS*.Hα-helixtrans-64.9-41.8176.3-76.6176.6176.8-171.8-0.4112.5L298 E299 L304 L305 Y306L298-R302 WeakPolarHBondContact O-CB 3.18Å; L298-R302 WeakPolarHBondContact O-CG 3.41Å; L298-R302 PolarHBondContact O-N 3.4Å; E299-R302 PolarHBondContact O-N 3.33Å; R302-L304 VanDerWaalsContact C-N 3.31Å; R302-L304 PolarHBondContact O-N 3.13Å; R302-L305 PolarHBondContact O-N 3.05Å; R302-Y306 PolarHBondContact O-N 2.92Å
303A56.4Low57.1Low56 Ų5692.9 Ų92.946%0.46346%0.46SS..Hα-helixtrans-61.2-41.1175.900000111.7E299 Q300 Y306 N307E299-A303 PolarHBondContact O-N 3.42Å; Q300-A303 PolarHBondContact O-N 3.48Å; A303-Y306 PolarHBondContact O-N 3.49Å; A303-N307 PolarHBondContact O-N 3.36Å
304L54.7Low56.7Low79 Ų7996.3 Ų96.341%0.41447%0.473SS..Hα-helixtrans-64-43.9174.9-158.381.6000111.9V4 Q300 G301 R302 Y306 N307 L308V4-L304 HydrophobicContact CB-CD2 4.11Å; V4-L304 HydrophobicContact CG1-CD2 3.67Å; V4-L304 HydrophobicContact CG2-CD2 4.01Å; Q300-L304 PolarHBondContact O-N 2.96Å; Q300-L304 VanDerWaalsContact O-N 3.09Å; G301-L304 PolarHBondContact O-N 3.07Å; R302-L304 VanDerWaalsContact C-N 3.31Å; R302-L304 PolarHBondContact O-N 3.13Å; L304-Y306 PolarHBondContact O-N 3.46Å; L304-N307 PolarHBondContact O-N 3.24Å; L304-L308 HydrophobicContact CG-CD1 4.42Å; L304-L308 VanDerWaalsContact O-CG 3.27Å; L304-L308 WeakPolarHBondContact O-CG 3.38Å; L304-L308 PolarHBondContact O-N 3.49Å
305L53.8Low56.4Low90 Ų9099.8 Ų99.847%0.47149%0.494SS..Hα-helixtrans-63.5-37.4177.6-74.7167.7000113G301 R302 L308 R309G301-L305 WeakPolarHBondContact O-CG 3.21Å; G301-L305 PolarHBondContact O-N 3.45Å; R302-L305 PolarHBondContact O-N 3.05Å; L305-L308 PolarHBondContact O-N 3.38Å; L305-R309 PolarHBondContact O-N 3.02Å
306Y53.6Low56.1Low149 Ų14997.3 Ų97.358%0.58449%0.488SS*.Hα-helixtrans-61.1-50.7176.9-178.4-95.5000111.4R302 A303 L304 L308 R309 H310R302-Y306 PolarHBondContact O-N 2.92Å; A303-Y306 PolarHBondContact O-N 3.49Å; L304-Y306 PolarHBondContact O-N 3.46Å; Y306-L308 PolarHBondContact O-N 3.28Å; Y306-R309 WeakPolarHBondContact O-CB 3.36Å; Y306-R309 PolarHBondContact O-N 3.44Å; Y306-H310 AromaticContact CE1-NE2 3.84Å; Y306-H310 AromaticContact CZ-NE2 3.68Å
307N55.9Low55.9Low102 Ų102101 Ų10155%0.54549%0.494SS..Hα-helixtrans-60.5-32179.1-67.9-13.6000112.6A303 L304A303-N307 PolarHBondContact O-N 3.36Å; L304-N307 PolarHBondContact O-N 3.24Å
308L49.7Very low56Low64 Ų64103.4 Ų103.434%0.33551%0.506SS..Hα-helixtrans-76.2-22.9177.3-67.3171.6000113.4M1 L304 L305 Y306 H310 V311M1-L308 HydrophobicContact CE-CD1 4Å; M1-L308 HydrophobicContact CE-CD2 3.63Å; M1-L308 HydrophobicContact CE-CG 4.27Å; M1-L308 HydrophobicContact CG-CD1 4.2Å; L304-L308 HydrophobicContact CG-CD1 4.42Å; L304-L308 VanDerWaalsContact O-CG 3.27Å; L304-L308 WeakPolarHBondContact O-CG 3.38Å; L304-L308 PolarHBondContact O-N 3.49Å; L305-L308 PolarHBondContact O-N 3.38Å; Y306-L308 PolarHBondContact O-N 3.28Å; L308-H310 PolarHBondContact O-N 3.24Å; L308-V311 PolarHBondContact O-N 3.5Å
309R50.1Low56.3Low203 Ų203104.8 Ų104.877%0.76651%0.511SS*.THydrogen-bonded Turntrans-71.9-5.2178.8-148.9179.4-167.4-1704.3113.4L305 Y306L305-R309 PolarHBondContact O-N 3.02Å; Y306-R309 WeakPolarHBondContact O-CB 3.36Å; Y306-R309 PolarHBondContact O-N 3.44Å
310H54.6Low56.3Low119 Ų119102.4 Ų102.455%0.55150%0.504SS*.THydrogen-bonded Turntrans-106.37.7-179-65-8000113.9Y306 L308Y306-H310 AromaticContact CE1-NE2 3.84Å; Y306-H310 AromaticContact CZ-NE2 3.68Å; L308-H310 PolarHBondContact O-N 3.24Å
311V52Low56.6Low70 Ų70100.3 Ų100.342%0.42450%0.495SS..  trans-75.4126169.3-175.60000109.2L308L308-V311 PolarHBondContact O-N 3.5Å
312T50.9Low57.5Low139 Ų139100.7 Ų100.785%0.85350%0.495SS*.  trans-97.2-5.4-16144.40000115.9
313D59.4Low58Low68 Ų6893.6 Ų93.636%0.36447%0.471SS..  trans-93144.9-176.7159.152.1000112.3D315 T316 R317D313-D315 PolarHBondContact OD1-N 2.92Å; D313-T316 VanDerWaalsContact CB-OG1 3.29Å; D313-T316 WeakPolarHBondContact CB-OG1 3.35Å; D313-T316 VanDerWaalsContact CG-OG1 3.31Å; D313-T316 PolarHBondContact O-OG1 2.88Å; D313-T316 WeakPolarHBondContact OD2-CB 3.34Å; D313-T316 WeakPolarHBondContact OD2-CG2 3.42Å; D313-T316 PolarHBondContact OD2-N 2.72Å; D313-T316 PolarHBondContact OD2-OG1 3.48Å; D313-R317 WeakPolarHBondContact O-CG 3.42Å; D313-R317 PolarHBondContact O-N 2.96Å
314L54.7Low58.4Low131 Ų13196.2 Ų96.269%0.68647%0.47SS*.Hα-helixtrans-80-34.4-177.4-163.278.1000111.5R317 L318L314-R317 WeakPolarHBondContact O-CB 3.31Å; L314-R317 PolarHBondContact O-N 3.31Å; L314-L318 PolarHBondContact O-N 3.29Å
315D58.6Low59.2Low112 Ų11293 Ų9360%0.59945%0.453SS*.Hα-helixtrans-70.1-47.2-179.7-72-22.3000110D313 R317 L318 E319D313-D315 PolarHBondContact OD1-N 2.92Å; D315-R317 VanDerWaalsContact C-N 3.25Å; D315-R317 PolarHBondContact O-N 3.41Å; D315-L318 PolarHBondContact O-N 2.83Å; D315-E319 PolarHBondContact O-N 3.49Å
316T58.5Low60.1Low49 Ų4991.5 Ų91.530%0.30144%0.442SS..Hα-helixtrans-60.9-29.7171.342.10000113.4D313 S320D313-T316 VanDerWaalsContact CB-OG1 3.29Å; D313-T316 WeakPolarHBondContact CB-OG1 3.35Å; D313-T316 VanDerWaalsContact CG-OG1 3.31Å; D313-T316 PolarHBondContact O-OG1 2.88Å; D313-T316 WeakPolarHBondContact OD2-CB 3.34Å; D313-T316 WeakPolarHBondContact OD2-CG2 3.42Å; D313-T316 PolarHBondContact OD2-N 2.72Å; D313-T316 PolarHBondContact OD2-OG1 3.48Å; T316-S320 WeakPolarHBondContact O-CB 3.24Å; T316-S320 PolarHBondContact O-N 3.43Å; T316-S320 PolarHBondContact O-OG 2.69Å
317R56.8Low60.4Low152 Ų15286 Ų8657%0.57442%0.424SS*.Hα-helixtrans-66.8-45169.6-84.3178.1170.8-169-3112.1D313 L314 D315 S320 Q321D313-R317 WeakPolarHBondContact O-CG 3.42Å; D313-R317 PolarHBondContact O-N 2.96Å; L314-R317 WeakPolarHBondContact O-CB 3.31Å; L314-R317 PolarHBondContact O-N 3.31Å; D315-R317 VanDerWaalsContact C-N 3.25Å; D315-R317 PolarHBondContact O-N 3.41Å; R317-S320 PolarHBondContact O-N 3.35Å; R317-Q321 WeakPolarHBondContact O-CB 3.26Å; R317-Q321 PolarHBondContact O-N 3Å
318L62.9Low60.3Low97 Ų9783.5 Ų83.551%0.50841%0.412SS..Hα-helixtrans-66.6-44.9178.5-17663.6000111.4L314 D315 S320 Q321 I322L314-L318 PolarHBondContact O-N 3.29Å; D315-L318 PolarHBondContact O-N 2.83Å; L318-S320 VanDerWaalsContact C-N 3.34Å; L318-S320 PolarHBondContact O-N 3.46Å; L318-Q321 PolarHBondContact O-N 2.94Å; L318-I322 HydrophobicContact CD1-CD1 4.37Å; L318-I322 HydrophobicContact CG-CD1 3.96Å; L318-I322 VanDerWaalsContact O-CG1 3.28Å; L318-I322 WeakPolarHBondContact O-CG1 3.32Å; L318-I322 PolarHBondContact O-N 3.15Å
319E64.9Low61.3Low96 Ų9683.3 Ų83.345%0.44941%0.411SS..Hα-helixtrans-59.6-43.2173.3-71.8-167.1145.200111.6D315 Q321 I322 L323D315-E319 PolarHBondContact O-N 3.49Å; E319-Q321 VanDerWaalsContact C-N 3.33Å; E319-Q321 PolarHBondContact O-N 3.01Å; E319-I322 PolarHBondContact O-N 3.44Å; E319-L323 WeakPolarHBondContact O-CB 3.26Å; E319-L323 PolarHBondContact O-N 3.35Å
320S61.1Low62.4Low42 Ų4274.7 Ų74.729%0.29439%0.386SS..Hα-helixtrans-62-39.9175.4-63.30000112.1T316 R317 L318 Y324T316-S320 WeakPolarHBondContact O-CB 3.24Å; T316-S320 PolarHBondContact O-N 3.43Å; T316-S320 PolarHBondContact O-OG 2.69Å; R317-S320 PolarHBondContact O-N 3.35Å; L318-S320 VanDerWaalsContact C-N 3.34Å; L318-S320 PolarHBondContact O-N 3.46Å; S320-Y324 WeakPolarHBondContact O-CB 3.49Å; S320-Y324 PolarHBondContact O-N 3.09Å
321Q66.4Low63.2Low94 Ų9473.2 Ų73.244%0.43939%0.387SS..Hα-helixtrans-69.5-39.7176.7-170.863.351.500112R317 L318 E319 Y324 N325R317-Q321 WeakPolarHBondContact O-CB 3.26Å; R317-Q321 PolarHBondContact O-N 3Å; L318-Q321 PolarHBondContact O-N 2.94Å; E319-Q321 VanDerWaalsContact C-N 3.33Å; E319-Q321 PolarHBondContact O-N 3.01Å; Q321-Y324 PolarHBondContact O-N 2.81Å; Q321-N325 PolarHBondContact NE2-OD1 3.03Å; Q321-N325 WeakPolarHBondContact O-CB 3.3Å; Q321-N325 PolarHBondContact O-N 2.94Å; Q321-N325 PolarHBondContact O-ND2 3.31Å; Q321-N325 PolarHBondContact O-OD1 3.14Å
322I74.2Confident64.5Low13 Ų1377 Ų777%0.06740%0.404CS..Hα-helixtrans-63.8-45.7175-69.8164.2000110.3L318 E319 N325 Y326 L336 C352 V354 Y359L318-I322 HydrophobicContact CD1-CD1 4.37Å; L318-I322 HydrophobicContact CG-CD1 3.96Å; L318-I322 VanDerWaalsContact O-CG1 3.28Å; L318-I322 WeakPolarHBondContact O-CG1 3.32Å; L318-I322 PolarHBondContact O-N 3.15Å; E319-I322 PolarHBondContact O-N 3.44Å; I322-N325 PolarHBondContact O-N 2.69Å; I322-Y326 WeakPolarHBondContact O-CB 3.44Å; I322-Y326 PolarHBondContact O-N 3.46Å; I322-L336 HydrophobicContact CG2-CD1 3.56Å; I322-L336 HydrophobicContact CG2-CD2 4.26Å; I322-C352 HydrophobicContact CG2-CB 3.47Å; I322-C352 VanDerWaalsContact CG2-CB 3.47Å; I322-V354 HydrophobicContact CD1-CG2 4Å; I322-V354 HydrophobicContact CG1-CG2 4.26Å; I322-Y359 WeakPolarHBondContact CG1-OH 3.45Å
323L69.9Low66Low41 Ų4170.8 Ų70.822%0.21537%0.366CS..Hα-helixtrans-60.8-48.2174.5-110.381.6000110.9V2 E319 N325 Y326 V327V2-L323 HydrophobicContact CB-CD2 4.3Å; V2-L323 HydrophobicContact CG2-CB 3.7Å; V2-L323 HydrophobicContact CG2-CD2 4.15Å; V2-L323 HydrophobicContact CG2-CG 4.15Å; V2-L323 WeakPolarHBondContact CG2-O 3.4Å; E319-L323 WeakPolarHBondContact O-CB 3.26Å; E319-L323 PolarHBondContact O-N 3.35Å; L323-N325 VanDerWaalsContact C-N 3.3Å; L323-N325 PolarHBondContact O-N 2.71Å; L323-Y326 PolarHBondContact O-N 3.47Å; L323-V327 PolarHBondContact O-N 2.97Å
324Y64.1Low67.2Low110 Ų11070.4 Ų70.443%0.43137%0.367SS..Hα-helixtrans-53.9-47.5176.5175.7-86.3000110.9V5 S320 Q321 V327 T328V5-Y324 HydrophobicContact CG1-CD2 4Å; V5-Y324 HydrophobicContact CG1-CE2 3.77Å; S320-Y324 WeakPolarHBondContact O-CB 3.49Å; S320-Y324 PolarHBondContact O-N 3.09Å; Q321-Y324 PolarHBondContact O-N 2.81Å; Y324-V327 PolarHBondContact O-N 3.03Å; Y324-T328 HydrophobicContact CD1-CG2 4.07Å; Y324-T328 HydrophobicContact CD2-CG2 4.2Å; Y324-T328 HydrophobicContact CE1-CG2 3.77Å; Y324-T328 HydrophobicContact CE2-CG2 3.91Å; Y324-T328 HydrophobicContact CG-CG2 4.28Å; Y324-T328 VanDerWaalsContact O-CB 3.32Å; Y324-T328 WeakPolarHBondContact O-CB 3.31Å; Y324-T328 WeakPolarHBondContact O-CG2 3.45Å; Y324-T328 PolarHBondContact O-N 3.36Å; Y324-T328 PolarHBondContact O-OG1 3.47Å
325N72.3Confident68.6Low12 Ų1265 Ų656%0.06434%0.343CS..Hα-helixtrans-63.4-50.7177.4-68.3-11.7000111.9Q321 I322 L323 V327 T328 L329 I333 Y359 L363Q321-N325 PolarHBondContact NE2-OD1 3.03Å; Q321-N325 WeakPolarHBondContact O-CB 3.3Å; Q321-N325 PolarHBondContact O-N 2.94Å; Q321-N325 PolarHBondContact O-ND2 3.31Å; Q321-N325 PolarHBondContact O-OD1 3.14Å; I322-N325 PolarHBondContact O-N 2.69Å; L323-N325 VanDerWaalsContact C-N 3.3Å; L323-N325 PolarHBondContact O-N 2.71Å; N325-V327 PolarHBondContact O-N 3.45Å; N325-T328 WeakPolarHBondContact CA-OG1 3.33Å; N325-T328 PolarHBondContact O-N 3.44Å; N325-T328 PolarHBondContact O-OG1 2.72Å; N325-L329 HydrophobicContact CB-CD1 4.43Å; N325-L329 WeakPolarHBondContact O-CB 3.49Å; N325-L329 PolarHBondContact O-N 2.96Å; N325-I333 HydrophobicContact CB-CD1 4.35Å; N325-I333 WeakPolarHBondContact O-CD1 3.36Å; N325-Y359 HydrophobicContact CB-CE2 4.48Å; N325-Y359 PolarHBondContact ND2-OH 3.18Å; N325-L363 HydrophobicContact CB-CD2 4.31Å; N325-L363 WeakPolarHBondContact ND2-CD1 3.36Å; N325-L363 WeakPolarHBondContact ND2-CD2 3.43Å
326Y71.2Confident70Confident59 Ų5960.5 Ų60.523%0.23132%0.319CS..Hα-helixtrans-50.7-34.2179.2175-111.5000113.5I322 L323 G330 P331 L336 C338 L350I322-Y326 WeakPolarHBondContact O-CB 3.44Å; I322-Y326 PolarHBondContact O-N 3.46Å; L323-Y326 PolarHBondContact O-N 3.47Å; Y326-G330 CarbonylContact O-C 3.48Å; Y326-P331 HydrophobicContact CE2-CB 3.9Å; Y326-L336 HydrophobicContact CD2-CD2 4.1Å; Y326-L336 HydrophobicContact CG-CD2 4.42Å; Y326-C338 HydrophobicContact CD2-CB 4.26Å; Y326-C338 WeakPolarHBondContact CD2-SG 3.23Å; Y326-C338 HydrophobicContact CE2-CB 3.93Å; Y326-C338 VanDerWaalsContact CE2-SG 3.58Å; Y326-C338 VanDerWaalsContact CG-SG 3.52Å; Y326-L350 HydrophobicContact CD1-CD2 3.69Å; Y326-L350 HydrophobicContact CE1-CD2 3.67Å
327V59.9Low71.2Confident33 Ų3364.5 Ų64.520%0.233%0.334CS..Hα-helixtrans-96.5-43.5-180-162.90000111.1V2 F6 L323 Y324 N325 L329 G330V2-V327 HydrophobicContact CB-CG2 4.12Å; V2-V327 HydrophobicContact CG1-CB 3.95Å; V2-V327 HydrophobicContact CG1-CG1 4.17Å; V2-V327 HydrophobicContact CG1-CG2 3.32Å; V2-V327 HydrophobicContact CG2-CB 4.02Å; V2-V327 HydrophobicContact CG2-CG2 3.65Å; F6-V327 HydrophobicContact CD1-CG1 3.72Å; F6-V327 HydrophobicContact CD2-CB 3.81Å; F6-V327 HydrophobicContact CD2-CG1 3.3Å; F6-V327 HydrophobicContact CE1-CG1 3.81Å; F6-V327 HydrophobicContact CE2-CB 3.74Å; F6-V327 HydrophobicContact CE2-CG1 3.45Å; F6-V327 VanDerWaalsContact CE2-CG1 3.45Å; F6-V327 WeakPolarHBondContact CE2-O 3.29Å; F6-V327 HydrophobicContact CG-CB 4.47Å; F6-V327 HydrophobicContact CG-CG1 3.48Å; F6-V327 VanDerWaalsContact CG-CG1 3.48Å; F6-V327 HydrophobicContact CZ-CB 4.29Å; F6-V327 HydrophobicContact CZ-CG1 3.73Å; F6-V327 WeakPolarHBondContact CZ-O 3.42Å; L323-V327 PolarHBondContact O-N 2.97Å; Y324-V327 PolarHBondContact O-N 3.03Å; N325-V327 PolarHBondContact O-N 3.45Å; V327-L329 PolarHBondContact O-N 2.97Å; V327-L329 VanDerWaalsContact O-N 3.16Å; V327-G330 PolarHBondContact O-N 2.87Å; V327-G330 VanDerWaalsContact O-N 3.12Å
328T55.1Low72.5Confident50 Ų5059.1 Ų59.131%0.30732%0.319SS..Hα-helixtrans-58.6-30.7177.949.90000114.2F6 Y324 N325F6-T328 VanDerWaalsContact CE2-CA 3.46Å; F6-T328 HydrophobicContact CE2-CG2 3.83Å; Y324-T328 HydrophobicContact CD1-CG2 4.07Å; Y324-T328 HydrophobicContact CD2-CG2 4.2Å; Y324-T328 HydrophobicContact CE1-CG2 3.77Å; Y324-T328 HydrophobicContact CE2-CG2 3.91Å; Y324-T328 HydrophobicContact CG-CG2 4.28Å; Y324-T328 VanDerWaalsContact O-CB 3.32Å; Y324-T328 WeakPolarHBondContact O-CB 3.31Å; Y324-T328 WeakPolarHBondContact O-CG2 3.45Å; Y324-T328 PolarHBondContact O-N 3.36Å; Y324-T328 PolarHBondContact O-OG1 3.47Å; N325-T328 WeakPolarHBondContact CA-OG1 3.33Å; N325-T328 PolarHBondContact O-N 3.44Å; N325-T328 PolarHBondContact O-OG1 2.72Å
329L69.8Low73.3Confident59 Ų5956.9 Ų56.931%0.30931%0.312SS..THydrogen-bonded Turntrans-108.74.1-178.1-51.7171.2000112.3N325 V327 I333 F362 L363 V366N325-L329 HydrophobicContact CB-CD1 4.43Å; N325-L329 WeakPolarHBondContact O-CB 3.49Å; N325-L329 PolarHBondContact O-N 2.96Å; V327-L329 PolarHBondContact O-N 2.97Å; V327-L329 VanDerWaalsContact O-N 3.16Å; L329-I333 HydrophobicContact CB-CD1 3.91Å; L329-I333 HydrophobicContact CB-CG1 4.15Å; L329-I333 HydrophobicContact CD1-CD1 4.36Å; L329-F362 HydrophobicContact CB-CE1 3.98Å; L329-F362 HydrophobicContact CB-CZ 4.31Å; L329-F362 HydrophobicContact CD1-CD1 4.31Å; L329-F362 HydrophobicContact CD1-CE1 3.65Å; L329-F362 HydrophobicContact CG-CE1 4.34Å; L329-L363 HydrophobicContact CD1-CD2 3.65Å; L329-V366 HydrophobicContact CD1-CG1 4.41Å; L329-V366 HydrophobicContact CD1-CG2 4.41Å; L329-V366 HydrophobicContact CD2-CG1 3.92Å; L329-V366 HydrophobicContact CD2-CG2 4.32Å
330G72.3Confident73.9Confident23 Ų2357.7 Ų57.724%0.23732%0.323CS..  trans75.3173.4-178.600000114.5Y326 V327 N332 I333Y326-G330 CarbonylContact O-C 3.48Å; V327-G330 PolarHBondContact O-N 2.87Å; V327-G330 VanDerWaalsContact O-N 3.12Å; G330-N332 PolarHBondContact O-N 2.78Å; G330-N332 VanDerWaalsContact O-N 3.11Å; G330-I333 WeakPolarHBondContact O-CG1 3.36Å
331P72.7Confident74.6Confident88 Ų8863 Ų6357%0.57134%0.337SS*.SBendtrans-71.1-10.2-167.828.3-36.5000115.5Y326 I333Y326-P331 HydrophobicContact CE2-CB 3.9Å; P331-I333 PolarHBondContact O-N 3.11Å
332N78.5Confident75.1Confident149 Ų14964.4 Ų64.480%0.79735%0.347SS*.  trans-101.147.7-171.5-68-20.4000112.5G330 P334G330-N332 PolarHBondContact O-N 2.78Å; G330-N332 VanDerWaalsContact O-N 3.11Å; N332-P334 WeakPolarHBondContact O-CD 3.3Å
333I82Confident75Confident8 Ų866.5 Ų66.54%0.04136%0.358CS..  trans-81.7121177.6-60.6-179.3000110.1N325 L329 G330 P331 G335 L336 Y359 F362N325-I333 HydrophobicContact CB-CD1 4.35Å; N325-I333 WeakPolarHBondContact O-CD1 3.36Å; L329-I333 HydrophobicContact CB-CD1 3.91Å; L329-I333 HydrophobicContact CB-CG1 4.15Å; L329-I333 HydrophobicContact CD1-CD1 4.36Å; G330-I333 WeakPolarHBondContact O-CG1 3.36Å; P331-I333 PolarHBondContact O-N 3.11Å; I333-G335 PolarHBondContact O-N 3.1Å; I333-L336 HydrophobicContact CB-CB 4.03Å; I333-L336 HydrophobicContact CB-CD2 4.34Å; I333-L336 HydrophobicContact CD1-CD2 4.04Å; I333-L336 HydrophobicContact CG2-CB 4Å; I333-L336 PolarHBondContact O-N 2.99Å; I333-Y359 HydrophobicContact CG2-CD2 3.71Å; I333-Y359 HydrophobicContact CG2-CE2 4.23Å; I333-F362 HydrophobicContact CB-CE1 4.31Å; I333-F362 HydrophobicContact CD1-CE1 4.44Å; I333-F362 HydrophobicContact CG1-CE1 3.92Å; I333-F362 HydrophobicContact CG2-CD1 3.66Å; I333-F362 HydrophobicContact CG2-CE1 3.89Å; I333-F362 HydrophobicContact CG2-CG 4.45Å
334P85Confident75.3Confident61 Ų6169.6 Ų69.640%0.39639%0.389SS..THydrogen-bonded Turntrans-56.2126.9175.5-25.135.2000111.6N332 A358 Y359 F362N332-P334 WeakPolarHBondContact O-CD 3.3Å; P334-A358 HydrophobicContact CB-CB 3.87Å; P334-A358 CarbonylContact O-C 3.6Å; P334-A358 VanDerWaalsContact O-C 3.3Å; P334-Y359 WeakPolarHBondContact O-CA 3.48Å; P334-Y359 PolarHBondContact O-N 2.87Å; P334-F362 HydrophobicContact CG-CB 4.46Å; P334-F362 HydrophobicContact CG-CD2 4.07Å; P334-F362 HydrophobicContact CG-CG 4.37Å
335G84.8Confident75.9Confident16 Ų1670.3 Ų70.317%0.16540%0.401CS..THydrogen-bonded Turntrans76.517.8177.300000116I333 V354 T355 S356I333-G335 PolarHBondContact O-N 3.1Å; G335-V354 CarbonylContact O-C 3.59Å; G335-T355 PolarHBondContact O-N 3.45Å; G335-T355 PolarHBondContact O-OG1 3.18Å; G335-S356 VanDerWaalsContact CA-OG 3.24Å; G335-S356 WeakPolarHBondContact CA-OG 3.49Å; G335-S356 PolarHBondContact O-N 3.24Å
336L88Confident75.6Confident19 Ų1974.3 Ų74.310%0.09943%0.429CS..EExtended strand (participates in β ladder)trans-120.1124.9169.6-170.771.3000110.6I322 Y326 I333 C352 A353 V354 Y359I322-L336 HydrophobicContact CG2-CD1 3.56Å; I322-L336 HydrophobicContact CG2-CD2 4.26Å; Y326-L336 HydrophobicContact CD2-CD2 4.1Å; Y326-L336 HydrophobicContact CG-CD2 4.42Å; I333-L336 HydrophobicContact CB-CB 4.03Å; I333-L336 HydrophobicContact CB-CD2 4.34Å; I333-L336 HydrophobicContact CD1-CD2 4.04Å; I333-L336 HydrophobicContact CG2-CB 4Å; I333-L336 PolarHBondContact O-N 2.99Å; L336-C352 HydrophobicContact CD1-CB 4.3Å; L336-A353 WeakPolarHBondContact CD1-O 3.36Å; L336-V354 HydrophobicContact CD1-CG2 3.95Å; L336-Y359 HydrophobicContact CB-CD2 4.02Å; L336-Y359 HydrophobicContact CB-CE2 4.45Å; L336-Y359 HydrophobicContact CD1-CD2 4.18Å; L336-Y359 HydrophobicContact CD1-CE2 4.03Å; L336-Y359 HydrophobicContact CD2-CE2 4.17Å; L336-Y359 HydrophobicContact CG-CD2 4.49Å; L336-Y359 HydrophobicContact CG-CE2 4.47Å
337E84.3Confident75Confident133 Ų13378 Ų7862%0.62145%0.447SS*.EExtended strand (participates in β ladder)trans-111.3126171.5-73.7-175.4178.500110.3C352 A353 T355E337-C352 CarbonylContact O-C 3.57Å; E337-C352 WeakPolarHBondContact O-CA 3.06Å; E337-A353 PolarHBondContact N-O 3.23Å; E337-A353 PolarHBondContact O-N 3.3Å; E337-T355 HydrophobicContact CB-CG2 3.77Å; E337-T355 HydrophobicContact CG-CG2 3.67Å
338C82.5Confident75.1Confident39 Ų3981.5 Ų81.526%0.26447%0.47SS..EExtended strand (participates in β ladder)trans-115130.5175.7-62.20000111Y326 L350 H351 C352Y326-C338 HydrophobicContact CD2-CB 4.26Å; Y326-C338 WeakPolarHBondContact CD2-SG 3.23Å; Y326-C338 HydrophobicContact CE2-CB 3.93Å; Y326-C338 VanDerWaalsContact CE2-SG 3.58Å; Y326-C338 VanDerWaalsContact CG-SG 3.52Å; C338-L350 HydrophobicContact CB-CD1 4.06Å; C338-L350 HydrophobicContact CB-CG 4.49Å; C338-H351 CarbonylContact C-O 3.54Å; C338-H351 WeakPolarHBondContact CA-O 3.19Å; C338-C352 HydrophobicContact CB-CB 4.13Å; C338-C352 WeakPolarHBondContact CB-SG 2.95Å; C338-C352 WeakPolarHBondContact SG-CB 3.32Å; C338-C352 CovalentContact SG-SG 2.04Å; C338-C352 PolarHBondContact SG-SG 2.81Å
339S79.9Confident75.4Confident50 Ų5080.5 Ų80.535%0.3547%0.465SS..EExtended strand (participates in β ladder)trans-127.1140.1178.264.70000110.5H351S339-H351 PolarHBondContact N-O 3.26Å; S339-H351 PolarHBondContact O-N 2.99Å
340T78.9Confident75.5Confident112 Ų11280.4 Ų80.469%0.68747%0.465SS*.EExtended strand (participates in β ladder)trans-83.3125.5169.841.90000109.7S349 L350T340-S349 WeakPolarHBondContact CA-O 3.31Å; T340-L350 HydrophobicContact CG2-CD1 4.06Å
341R75.2Confident75.6Confident155 Ų15583.2 Ų83.259%0.58547%0.471SS*.EExtended strand (participates in β ladder)trans-120.9169.3173.8-61.8-175.5-178.4-173.5-1.9108.7P348 S349R341-P348 CarbonylContact O-C 3.5Å; R341-P348 VanDerWaalsContact O-CA 3.3Å; R341-P348 WeakPolarHBondContact O-CA 3.47Å; R341-S349 PolarHBondContact N-O 2.83Å; R341-S349 PolarHBondContact O-N 3.12Å
342L76.2Confident75.9Confident123 Ų12379.8 Ų79.864%0.64445%0.45SS*.EExtended strand (participates in β ladder)trans-94133.3168.2-63.4174.4000108.5K347 P348L342-K347 CarbonylContact C-O 3.53Å; L342-K347 WeakPolarHBondContact CA-O 3.19Å; L342-P348 HydrophobicContact CD2-CB 4.45Å
343D71.5Confident76Confident56 Ų5675.4 Ų75.430%0.29943%0.434SS..  trans-72.7176.917277.6-0.3000111.5N345 S346 K347D343-N345 PolarHBondContact O-N 3.3Å; D343-N345 VanDerWaalsContact OD1-CA 3.24Å; D343-N345 WeakPolarHBondContact OD1-CA 3.26Å; D343-N345 WeakPolarHBondContact OD1-CB 3.5Å; D343-N345 PolarHBondContact OD1-N 2.99Å; D343-S346 PolarHBondContact O-N 2.83Å; D343-S346 PolarHBondContact OD1-N 3.36Å; D343-S346 VanDerWaalsContact OD1-N 3.08Å; D343-K347 PolarHBondContact N-O 2.78Å; D343-K347 PolarHBondContact OD1-N 3.31Å
344A76.3Confident76.1Confident106 Ų10677.4 Ų77.488%0.87645%0.446SS*.THydrogen-bonded Turntrans-60.4-15.4177.900000114.1
345N77.1Confident76.2Confident126 Ų12678 Ų7867%0.67445%0.449SS*.THydrogen-bonded Turntrans-101.413.5177-57.9-55.9000112.6D343 K347D343-N345 PolarHBondContact O-N 3.3Å; D343-N345 VanDerWaalsContact OD1-CA 3.24Å; D343-N345 WeakPolarHBondContact OD1-CA 3.26Å; D343-N345 WeakPolarHBondContact OD1-CB 3.5Å; D343-N345 PolarHBondContact OD1-N 2.99Å; N345-K347 PolarHBondContact O-N 3.04Å
346S66.5Low76.3Confident95 Ų9579.8 Ų79.866%0.66446%0.459SS*.SBendtrans59.424.4-175.5-54.90000114.9D343D343-S346 PolarHBondContact O-N 2.83Å; D343-S346 PolarHBondContact OD1-N 3.36Å; D343-S346 VanDerWaalsContact OD1-N 3.08Å
347K57.8Low76.2Confident137 Ų13787 Ų8760%0.59649%0.492SS*.  trans-93142.2170.9-65.8-179.8177.71780110.3L342 D343 N345 S349L342-K347 CarbonylContact C-O 3.53Å; L342-K347 WeakPolarHBondContact CA-O 3.19Å; D343-K347 PolarHBondContact N-O 2.78Å; D343-K347 PolarHBondContact OD1-N 3.31Å; N345-K347 PolarHBondContact O-N 3.04Å; K347-S349 PolarHBondContact O-N 2.64Å
348P63.5Low76.2Confident106 Ų10682.5 Ų82.569%0.68848%0.478SS*.EExtended strand (participates in β ladder)trans-65.3116.9174.426.2-32.9000111.1R341 L342R341-P348 CarbonylContact O-C 3.5Å; R341-P348 VanDerWaalsContact O-CA 3.3Å; R341-P348 WeakPolarHBondContact O-CA 3.47Å; L342-P348 HydrophobicContact CD2-CB 4.45Å
349S59.7Low76.4Confident30 Ų3080.8 Ų80.821%0.2147%0.466CS..EExtended strand (participates in β ladder)trans-106.2143.4170.964.30000110.5T340 R341 K347T340-S349 WeakPolarHBondContact CA-O 3.31Å; R341-S349 PolarHBondContact N-O 2.83Å; R341-S349 PolarHBondContact O-N 3.12Å; K347-S349 PolarHBondContact O-N 2.64Å
350L71.8Confident76.6Confident57 Ų5784 Ų8430%0.29847%0.474SS..EExtended strand (participates in β ladder)trans-91.8111.8174-174.872.9000108.7Y326 C338 T340Y326-L350 HydrophobicContact CD1-CD2 3.69Å; Y326-L350 HydrophobicContact CE1-CD2 3.67Å; C338-L350 HydrophobicContact CB-CD1 4.06Å; C338-L350 HydrophobicContact CB-CG 4.49Å; T340-L350 HydrophobicContact CG2-CD1 4.06Å
351H75Confident76.9Confident81 Ų8181.4 Ų81.438%0.37546%0.463SS..EExtended strand (participates in β ladder)trans-100.8116.5170.9-90.6-73.5000110.1C338 S339C338-H351 CarbonylContact C-O 3.54Å; C338-H351 WeakPolarHBondContact CA-O 3.19Å; S339-H351 PolarHBondContact N-O 3.26Å; S339-H351 PolarHBondContact O-N 2.99Å
352C78.9Confident77.4Confident17 Ų1776.5 Ų76.512%0.11545%0.446CS..EExtended strand (participates in β ladder)trans-106133.9174-66.90000110.3I322 L336 E337 C338I322-C352 HydrophobicContact CG2-CB 3.47Å; I322-C352 VanDerWaalsContact CG2-CB 3.47Å; L336-C352 HydrophobicContact CD1-CB 4.3Å; E337-C352 CarbonylContact O-C 3.57Å; E337-C352 WeakPolarHBondContact O-CA 3.06Å; C338-C352 HydrophobicContact CB-CB 4.13Å; C338-C352 WeakPolarHBondContact CB-SG 2.95Å; C338-C352 WeakPolarHBondContact SG-CB 3.32Å; C338-C352 CovalentContact SG-SG 2.04Å; C338-C352 PolarHBondContact SG-SG 2.81Å
353A81.9Confident77.6Confident56 Ų5672.1 Ų72.146%0.46342%0.423SS..EExtended strand (participates in β ladder)trans-126.3136177.900000110.3L336 E337 T355L336-A353 WeakPolarHBondContact CD1-O 3.36Å; E337-A353 PolarHBondContact N-O 3.23Å; E337-A353 PolarHBondContact O-N 3.3Å; A353-T355 PolarHBondContact O-N 2.9Å
354V84.3Confident78Confident50 Ų5074.3 Ų74.330%0.30343%0.432SS..EExtended strand (participates in β ladder)trans-76.8113.8173.2178.30000108.4I322 G335 L336 Y359 F360I322-V354 HydrophobicContact CD1-CG2 4Å; I322-V354 HydrophobicContact CG1-CG2 4.26Å; G335-V354 CarbonylContact O-C 3.59Å; L336-V354 HydrophobicContact CD1-CG2 3.95Å; V354-Y359 HydrophobicContact CB-CD1 4.25Å; V354-Y359 HydrophobicContact CG1-CD1 3.68Å; V354-Y359 HydrophobicContact CG1-CG 3.87Å; V354-Y359 HydrophobicContact CG2-CD1 3.48Å; V354-Y359 VanDerWaalsContact CG2-CD1 3.48Å; V354-Y359 HydrophobicContact CG2-CD2 4.38Å; V354-Y359 HydrophobicContact CG2-CE1 3.53Å; V354-Y359 HydrophobicContact CG2-CE2 4.44Å; V354-Y359 HydrophobicContact CG2-CG 3.92Å; V354-F360 HydrophobicContact CG1-CE2 3.89Å; V354-F360 HydrophobicContact CG1-CZ 4.41Å
355T85.3Confident78.2Confident74 Ų7472.5 Ų72.545%0.45441%0.407SS..  trans-100-16.5-174.4570000113.8G335 E337 A353G335-T355 PolarHBondContact O-N 3.45Å; G335-T355 PolarHBondContact O-OG1 3.18Å; E337-T355 HydrophobicContact CB-CG2 3.77Å; E337-T355 HydrophobicContact CG-CG2 3.67Å; A353-T355 PolarHBondContact O-N 2.9Å
356S87.3Confident77.9Confident54 Ų5468.1 Ų68.138%0.37839%0.385SS..SBendtrans-154.8165.1172.674.20000113.7G335 A358 Y359G335-S356 VanDerWaalsContact CA-OG 3.24Å; G335-S356 WeakPolarHBondContact CA-OG 3.49Å; G335-S356 PolarHBondContact O-N 3.24Å; S356-A358 PolarHBondContact O-N 3.38Å; S356-A358 VanDerWaalsContact O-N 3.09Å; S356-A358 WeakPolarHBondContact OG-CB 3.47Å; S356-A358 PolarHBondContact OG-N 2.98Å; S356-Y359 WeakPolarHBondContact O-CB 3.4Å; S356-Y359 PolarHBondContact O-N 3.02Å
357Q85.5Confident77.7Confident169 Ų16969.3 Ų69.379%0.7938%0.381SS*.THydrogen-bonded Turntrans-60.7-13.3173-97.7166.4-37.800114.4Y359 F360 A361Q357-Y359 PolarHBondContact O-N 2.95Å; Q357-F360 PolarHBondContact O-N 3.17Å; Q357-A361 PolarHBondContact O-N 3.43Å; Q357-A361 VanDerWaalsContact O-N 3.08Å
358A85.5Confident78.1Confident39 Ų3969.6 Ų69.632%0.32238%0.382SS..Hα-helixtrans-59.2-27.6172.700000112.5P334 S356 F362P334-A358 HydrophobicContact CB-CB 3.87Å; P334-A358 CarbonylContact O-C 3.6Å; P334-A358 VanDerWaalsContact O-C 3.3Å; S356-A358 PolarHBondContact O-N 3.38Å; S356-A358 VanDerWaalsContact O-N 3.09Å; S356-A358 WeakPolarHBondContact OG-CB 3.47Å; S356-A358 PolarHBondContact OG-N 2.98Å; A358-F362 WeakPolarHBondContact O-CB 3.44Å; A358-F362 PolarHBondContact O-N 2.83Å
359Y85.9Confident77.5Confident4 Ų471.7 Ų71.72%0.01638%0.38CS..Hα-helixtrans-62.4-50175173.5-105.5000111.7I322 N325 I333 P334 L336 V354 S356 Q357 F362 L363I322-Y359 WeakPolarHBondContact CG1-OH 3.45Å; N325-Y359 HydrophobicContact CB-CE2 4.48Å; N325-Y359 PolarHBondContact ND2-OH 3.18Å; I333-Y359 HydrophobicContact CG2-CD2 3.71Å; I333-Y359 HydrophobicContact CG2-CE2 4.23Å; P334-Y359 WeakPolarHBondContact O-CA 3.48Å; P334-Y359 PolarHBondContact O-N 2.87Å; L336-Y359 HydrophobicContact CB-CD2 4.02Å; L336-Y359 HydrophobicContact CB-CE2 4.45Å; L336-Y359 HydrophobicContact CD1-CD2 4.18Å; L336-Y359 HydrophobicContact CD1-CE2 4.03Å; L336-Y359 HydrophobicContact CD2-CE2 4.17Å; L336-Y359 HydrophobicContact CG-CD2 4.49Å; L336-Y359 HydrophobicContact CG-CE2 4.47Å; V354-Y359 HydrophobicContact CB-CD1 4.25Å; V354-Y359 HydrophobicContact CG1-CD1 3.68Å; V354-Y359 HydrophobicContact CG1-CG 3.87Å; V354-Y359 HydrophobicContact CG2-CD1 3.48Å; V354-Y359 VanDerWaalsContact CG2-CD1 3.48Å; V354-Y359 HydrophobicContact CG2-CD2 4.38Å; V354-Y359 HydrophobicContact CG2-CE1 3.53Å; V354-Y359 HydrophobicContact CG2-CE2 4.44Å; V354-Y359 HydrophobicContact CG2-CG 3.92Å; S356-Y359 WeakPolarHBondContact O-CB 3.4Å; S356-Y359 PolarHBondContact O-N 3.02Å; Q357-Y359 PolarHBondContact O-N 2.95Å; Y359-F362 PolarHBondContact O-N 3.14Å; Y359-L363 HydrophobicContact CD1-CD1 4.09Å; Y359-L363 HydrophobicContact CE1-CD1 3.57Å; Y359-L363 HydrophobicContact CE2-CD1 4.05Å; Y359-L363 HydrophobicContact CE2-CG 4.46Å; Y359-L363 WeakPolarHBondContact O-CG 3.39Å; Y359-L363 PolarHBondContact O-N 3.24Å
360F84.8Confident76.4Confident118 Ų11875.8 Ų75.852%0.51839%0.394SS..Hα-helixtrans-68.1-40.7179.2-63.1-73.1000111.4V354 Q357 F362 L363 E364V354-F360 HydrophobicContact CG1-CE2 3.89Å; V354-F360 HydrophobicContact CG1-CZ 4.41Å; Q357-F360 PolarHBondContact O-N 3.17Å; F360-F362 VanDerWaalsContact C-N 3.34Å; F360-F362 PolarHBondContact O-N 3.22Å; F360-L363 PolarHBondContact O-N 3.35Å; F360-E364 WeakPolarHBondContact O-CB 3.16Å; F360-E364 PolarHBondContact O-N 3.36Å
361A84.2Confident74.4Confident56 Ų5677 Ų7746%0.46341%0.405SS..Hα-helixtrans-62.7-3817500000112.8Q357 E364 D365Q357-A361 PolarHBondContact O-N 3.43Å; Q357-A361 VanDerWaalsContact O-N 3.08Å; A361-E364 PolarHBondContact O-N 2.92Å; A361-D365 WeakPolarHBondContact O-CB 3.45Å; A361-D365 PolarHBondContact O-N 3.17Å
362F85.7Confident72.4Confident52 Ų5278.5 Ų78.523%0.22842%0.42CS..Hα-helixtrans-66.5-43.4174.2176.1-101.9000111.8L329 I333 P334 A358 Y359 F360 E364 D365 V366L329-F362 HydrophobicContact CB-CE1 3.98Å; L329-F362 HydrophobicContact CB-CZ 4.31Å; L329-F362 HydrophobicContact CD1-CD1 4.31Å; L329-F362 HydrophobicContact CD1-CE1 3.65Å; L329-F362 HydrophobicContact CG-CE1 4.34Å; I333-F362 HydrophobicContact CB-CE1 4.31Å; I333-F362 HydrophobicContact CD1-CE1 4.44Å; I333-F362 HydrophobicContact CG1-CE1 3.92Å; I333-F362 HydrophobicContact CG2-CD1 3.66Å; I333-F362 HydrophobicContact CG2-CE1 3.89Å; I333-F362 HydrophobicContact CG2-CG 4.45Å; P334-F362 HydrophobicContact CG-CB 4.46Å; P334-F362 HydrophobicContact CG-CD2 4.07Å; P334-F362 HydrophobicContact CG-CG 4.37Å; A358-F362 WeakPolarHBondContact O-CB 3.44Å; A358-F362 PolarHBondContact O-N 2.83Å; Y359-F362 PolarHBondContact O-N 3.14Å; F360-F362 VanDerWaalsContact C-N 3.34Å; F360-F362 PolarHBondContact O-N 3.22Å; F362-E364 VanDerWaalsContact C-N 3.34Å; F362-E364 PolarHBondContact O-N 2.98Å; F362-D365 PolarHBondContact O-N 3.5Å; F362-V366 HydrophobicContact CD1-CG2 4.39Å; F362-V366 HydrophobicContact CE1-CG2 4.15Å; F362-V366 HydrophobicContact CE2-CG2 4.41Å; F362-V366 HydrophobicContact CZ-CG2 4.15Å; F362-V366 WeakPolarHBondContact O-CB 3.46Å; F362-V366 VanDerWaalsContact O-CG2 3.29Å; F362-V366 WeakPolarHBondContact O-CG2 3.36Å; F362-V366 PolarHBondContact O-N 3.43Å
363L81.6Confident69.9Low31 Ų3182.7 Ų82.716%0.16245%0.448CS..Hα-helixtrans-64-38.6174.4-68.2177.8000112.4N325 L329 Y359 F360 V366 E367N325-L363 HydrophobicContact CB-CD2 4.31Å; N325-L363 WeakPolarHBondContact ND2-CD1 3.36Å; N325-L363 WeakPolarHBondContact ND2-CD2 3.43Å; L329-L363 HydrophobicContact CD1-CD2 3.65Å; Y359-L363 HydrophobicContact CD1-CD1 4.09Å; Y359-L363 HydrophobicContact CE1-CD1 3.57Å; Y359-L363 HydrophobicContact CE2-CD1 4.05Å; Y359-L363 HydrophobicContact CE2-CG 4.46Å; Y359-L363 WeakPolarHBondContact O-CG 3.39Å; Y359-L363 PolarHBondContact O-N 3.24Å; F360-L363 PolarHBondContact O-N 3.35Å; L363-V366 PolarHBondContact O-N 3.36Å; L363-E367 WeakPolarHBondContact O-CG 3.39Å; L363-E367 PolarHBondContact O-N 3.14Å
364E79.3Confident67.5Low102 Ų10288.5 Ų88.548%0.47746%0.463SS..Hα-helixtrans-67-35.8177.6-154.5-167.215200111.7F360 A361 F362 K368F360-E364 WeakPolarHBondContact O-CB 3.16Å; F360-E364 PolarHBondContact O-N 3.36Å; A361-E364 PolarHBondContact O-N 2.92Å; F362-E364 VanDerWaalsContact C-N 3.34Å; F362-E364 PolarHBondContact O-N 2.98Å; E364-K368 WeakPolarHBondContact O-CB 3.14Å; E364-K368 WeakPolarHBondContact O-CD 3.25Å; E364-K368 WeakPolarHBondContact O-CG 3.46Å; E364-K368 PolarHBondContact O-N 2.87Å; E364-K368 VanDerWaalsContact OE1-CE 3.32Å; E364-K368 WeakPolarHBondContact OE1-CE 3.32Å; E364-K368 IonicContact OE1-NZ 2.67Å; E364-K368 PolarHBondContact OE1-NZ 3.1Å
365D79.5Confident64.7Low68 Ų6895.7 Ų95.736%0.36449%0.493SS..Hα-helixtrans-68.8-40.1171-179.459.4000112.1A361 F362 K368 K369A361-D365 WeakPolarHBondContact O-CB 3.45Å; A361-D365 PolarHBondContact O-N 3.17Å; F362-D365 PolarHBondContact O-N 3.5Å; D365-K368 PolarHBondContact O-N 3.08Å; D365-K369 VanDerWaalsContact CG-NZ 3.3Å; D365-K369 WeakPolarHBondContact O-CB 3.45Å; D365-K369 WeakPolarHBondContact O-CG 3.43Å; D365-K369 PolarHBondContact O-N 3.35Å; D365-K369 VanDerWaalsContact OD1-CE 3.28Å; D365-K369 WeakPolarHBondContact OD1-CE 3.36Å; D365-K369 IonicContact OD1-NZ 2.63Å; D365-K369 PolarHBondContact OD1-NZ 2.87Å; D365-K369 WeakPolarHBondContact OD2-CE 3.36Å; D365-K369 IonicContact OD2-NZ 2.7Å; D365-K369 PolarHBondContact OD2-NZ 3.33Å
366V72.6Confident62.2Low35 Ų3598.2 Ų98.221%0.21251%0.509CS..Hα-helixtrans-64.8-37.4173.5167.50000111.8L329 F362 L363 K369 K370L329-V366 HydrophobicContact CD1-CG1 4.41Å; L329-V366 HydrophobicContact CD1-CG2 4.41Å; L329-V366 HydrophobicContact CD2-CG1 3.92Å; L329-V366 HydrophobicContact CD2-CG2 4.32Å; F362-V366 HydrophobicContact CD1-CG2 4.39Å; F362-V366 HydrophobicContact CE1-CG2 4.15Å; F362-V366 HydrophobicContact CE2-CG2 4.41Å; F362-V366 HydrophobicContact CZ-CG2 4.15Å; F362-V366 WeakPolarHBondContact O-CB 3.46Å; F362-V366 VanDerWaalsContact O-CG2 3.29Å; F362-V366 WeakPolarHBondContact O-CG2 3.36Å; F362-V366 PolarHBondContact O-N 3.43Å; L363-V366 PolarHBondContact O-N 3.36Å; V366-K369 PolarHBondContact O-N 3.29Å; V366-K370 PolarHBondContact O-N 3.1Å
367E61.7Low59.4Low120 Ų120103.2 Ų103.256%0.56153%0.531SS*.Hα-helixtrans-71.5-39173.8-75.1-167.3142.100112.6L363 K369 K370L363-E367 WeakPolarHBondContact O-CG 3.39Å; L363-E367 PolarHBondContact O-N 3.14Å; E367-K369 PolarHBondContact O-N 3.28Å; E367-K370 WeakPolarHBondContact O-CB 3.25Å; E367-K370 PolarHBondContact O-N 3.24Å; E367-K370 VanDerWaalsContact O-N 3.1Å
368K65.4Low56.7Low143 Ų143102.4 Ų102.462%0.62253%0.532SS*.Hα-helixtrans-64.2-21.2172.3-74.4164.3-172.5165.10113.4E364 D365E364-K368 WeakPolarHBondContact O-CB 3.14Å; E364-K368 WeakPolarHBondContact O-CD 3.25Å; E364-K368 WeakPolarHBondContact O-CG 3.46Å; E364-K368 PolarHBondContact O-N 2.87Å; E364-K368 VanDerWaalsContact OE1-CE 3.32Å; E364-K368 WeakPolarHBondContact OE1-CE 3.32Å; E364-K368 IonicContact OE1-NZ 2.67Å; E364-K368 PolarHBondContact OE1-NZ 3.1Å; D365-K368 PolarHBondContact O-N 3.08Å
369K50.5Low54Low149 Ų149106.2 Ų106.265%0.64856%0.556SS**THydrogen-bonded Turntrans-91.9-3.6174.6-73.5168.2-178.8165.90114.2D365 V366 E367D365-K369 VanDerWaalsContact CG-NZ 3.3Å; D365-K369 WeakPolarHBondContact O-CB 3.45Å; D365-K369 WeakPolarHBondContact O-CG 3.43Å; D365-K369 PolarHBondContact O-N 3.35Å; D365-K369 VanDerWaalsContact OD1-CE 3.28Å; D365-K369 WeakPolarHBondContact OD1-CE 3.36Å; D365-K369 IonicContact OD1-NZ 2.63Å; D365-K369 PolarHBondContact OD1-NZ 2.87Å; D365-K369 WeakPolarHBondContact OD2-CE 3.36Å; D365-K369 IonicContact OD2-NZ 2.7Å; D365-K369 PolarHBondContact OD2-NZ 3.33Å; V366-K369 PolarHBondContact O-N 3.29Å; E367-K369 PolarHBondContact O-N 3.28Å
370K37Very low51.3Low117 Ų117109.5 Ų109.551%0.50959%0.592SS.*SBendtrans-77.1132.7166.2-69.9171.4-174.8166.80108.5V366 E367 V372V366-K370 PolarHBondContact O-N 3.1Å; E367-K370 WeakPolarHBondContact O-CB 3.25Å; E367-K370 PolarHBondContact O-N 3.24Å; E367-K370 VanDerWaalsContact O-N 3.1Å; K370-V372 PolarHBondContact O-N 3.16Å
371P31.4Very low48.6Very low81 Ų81111.2 Ų111.253%0.52661%0.605SS.*  trans-64.4119.1174.726-32.4000109.7
372V32.2Very low45.8Very low114 Ų114117.3 Ų117.369%0.69162%0.622SS**  trans-105.5104.6174.2178.60000108K370 K374K370-V372 PolarHBondContact O-N 3.16Å; V372-K374 PolarHBondContact O-N 3.28Å
373C27.3Very low43.1Very low104 Ų104120.3 Ų120.370%0.70364%0.644SS**  trans-68.3112.9169.2-60.90000108.8
374K30.3Very low40.5Very low179 Ų179125.1 Ų125.178%0.77867%0.67SS**  trans-86.4129.8168.5-77.4-178.8175177.10109.4V372V372-K374 PolarHBondContact O-N 3.28Å
375E26.5Very low38Very low200 Ų200128.4 Ų128.494%0.93569%0.685SS**  trans-67.7127160.7-62.2170.3149.100108.5
376T31.9Very low35.4Very low127 Ų127130.4 Ų130.478%0.77970%0.7SS**  trans-143.8128.2167.8490000110.3
377D28.8Very low33.1Very low160 Ų160137.2 Ų137.286%0.85673%0.729SS**  trans-69.6155-174.9-59.7-63.5000114.9
378D28.3Very low31.3Very low151 Ų151140.9 Ų140.981%0.80775%0.746SS**  trans41.3119.1148.9-90.1-20.4000122
379S28.3Very low29.3Very low119 Ų119143.4 Ų143.483%0.83276%0.76SS**  trans74.8135.4134.778.30000120
380G29.5Very low28.2Very low73 Ų73144.5 Ų144.575%0.75377%0.768SS**  trans128.476.714700000119.5
381L27.7Very low27.6Very low154 Ų154148.2 Ų148.281%0.80679%0.792SS**  69.395.1120.7-142.881.1000121.5
382F25.9Very low27.4Very low184 Ų184149.9 Ų149.981%0.80780%0.797SS**  trans66.8159.7132.7-80.7-95000124.1
383V28.6Very low27.1Very low115 Ų115151.6 Ų151.670%0.69780%0.802SS**  trans85.194.6164.1-165.90000114.2
384D26.9Very low27.1Very low132 Ų132150.2 Ų150.271%0.70681%0.806SS**  71.7138.286.3-55.9-36000111.9
385E26.9Very low27.1Very low171 Ų171146 Ų14680%0.79979%0.792SS**  cis-161.5149.315.7-125.9171.5-179.400110.2
386V26.5Very low27.1Very low110 Ų110144.9 Ų144.967%0.66779%0.791SS**  trans71.8106.4140.6171.40000122.7
387E23.9Very low27Very low179 Ų179140.4 Ų140.484%0.83677%0.765SS**  trans76136.7131.1-63.9177169.400124.1
388E23.3Very low27.1Very low196 Ų196137.7 Ų137.792%0.91675%0.75SS**  trans77.664.4172.7-58.3-161.2155.200119.1
389E24.7Very low27.1Very low196 Ų196135.2 Ų135.292%0.91674%0.74SS**  trans-109.8133.4160.6-76.5-163.6148.300114.6
390Q25.8Very low27.1Very low172 Ų172133.2 Ų133.280%0.80473%0.731SS**  trans-63.8140.5172.8-60.6166.3-47.100109.6D392Q390-D392 PolarHBondContact O-N 3.49Å
391L25Very low27Very low195 Ų195135 Ų135100%1.02172%0.72SS**  trans-72.779.3173.6-83.1161000110.6
392D26.7Very low26.9Very low116 Ų116134.9 Ų134.962%0.6272%0.715SS**  trans-122.1127.5179.6-141.8-3.1000109.8Q390Q390-D392 PolarHBondContact O-N 3.49Å
393N27.1Very low26.9Very low151 Ų151131.5 Ų131.581%0.80771%0.709SS**  trans51.473.2162.1-53.5-55.8000119.4
394G26.8Very low26.7Very low75 Ų75130.5 Ų130.577%0.77370%0.703SS**  trans-124.6116.4164.800000113.5
395N29Very low26.6Very low91 Ų91132.6 Ų132.649%0.48771%0.714SS.*  trans38.794.8162.9-73.7-0.8000120.3S397 D398N395-S397 WeakPolarHBondContact CB-OG 3.5Å; N395-S397 PolarHBondContact O-N 3.32Å; N395-D398 WeakPolarHBondContact CB-OD2 3.38Å; N395-D398 PolarHBondContact ND2-OD2 2.93Å; N395-D398 VanDerWaalsContact ND2-OD2 3.12Å
396L27.9Very low26.4Very low175 Ų175131.8 Ų131.892%0.91670%0.703SS**THydrogen-bonded Turntrans-71.916.6162.4-147.378.7000114
397S29.4Very low26.3Very low33 Ų33132.9 Ų132.923%0.23171%0.705CS.*THydrogen-bonded Turntrans-98.5-25.6176.147.80000113.5N395 V399N395-S397 WeakPolarHBondContact CB-OG 3.5Å; N395-S397 PolarHBondContact O-N 3.32Å; S397-V399 VanDerWaalsContact C-N 3.29Å; S397-V399 PolarHBondContact O-N 3.2Å
398D30.5Very low26.4Very low104 Ų104129.4 Ų129.456%0.55669%0.691SS**THydrogen-bonded Turntrans-90.33.2-161.4-55.4-12000112.6N395N395-D398 WeakPolarHBondContact CB-OD2 3.38Å; N395-D398 PolarHBondContact ND2-OD2 2.93Å; N395-D398 VanDerWaalsContact ND2-OD2 3.12Å
399V28.9Very low26.5Very low99 Ų99128.7 Ų128.760%0.669%0.688SS**THydrogen-bonded Turntrans-112.533176-1610000111.1K16 S397K16-V399 PolarHBondContact NZ-O 3.2Å; S397-V399 VanDerWaalsContact C-N 3.29Å; S397-V399 PolarHBondContact O-N 3.2Å
400A27.8Very low26.6Very low77 Ų77124.5 Ų124.564%0.63668%0.678SS**SBendtrans-125.5-5.4176.800000114
401E27.8Very low26.7Very low109 Ų109122.5 Ų122.551%0.50968%0.68SS.*SBendtrans-115.98.5-167.2-61-146.3110.900116R406E401-R406 IonicContact OE1-CZ 2.67Å; E401-R406 IonicContact OE1-NH2 2.8Å; E401-R406 PolarHBondContact OE1-NH2 2.85Å; E401-R406 IonicContact OE2-CZ 3.36Å; E401-R406 IonicContact OE2-NH1 3.07Å; E401-R406 IonicContact OE2-NH2 3.24Å; E401-R406 PolarHBondContact OE2-NH2 2.81Å
402E25.7Very low26.7Very low152 Ų152116.7 Ų116.771%0.7167%0.667SS**SBendtrans-119.724.2-168.1-143.5-175.1-153.900116R23R23-E402 PolarHBondContact NH2-O 3.26Å
403V25.7Very low26.7Very low113 Ų113118 Ų11869%0.68568%0.679SS**SBendtrans-139.611.3161.7-156.80000112.4R23R23-V403 VanDerWaalsContact CZ-CG2 3.5Å; R23-V403 VanDerWaalsContact NH1-CG2 3.31Å
404T24Very low26.6Very low94 Ų94119.4 Ų119.458%0.57768%0.68SS**SBendtrans-81.9118155.324.70000107.5R406T404-R406 PolarHBondContact O-N 3.47Å
405L24.3Very low26.3Very low176 Ų176124.7 Ų124.792%0.92169%0.685SS**  trans-59.992.4154.3-103.8160000106.2L407L405-L407 VanDerWaalsContact C-N 3.25Å; L405-L407 PolarHBondContact O-N 3.5Å
406R23.2Very low26.2Very low154 Ų154126.2 Ų126.258%0.58170%0.7SS**  trans-60.791.4173.4-83.6178.3163.3163.9-6.5107.7E401 T404 L408E401-R406 IonicContact OE1-CZ 2.67Å; E401-R406 IonicContact OE1-NH2 2.8Å; E401-R406 PolarHBondContact OE1-NH2 2.85Å; E401-R406 IonicContact OE2-CZ 3.36Å; E401-R406 IonicContact OE2-NH1 3.07Å; E401-R406 IonicContact OE2-NH2 3.24Å; E401-R406 PolarHBondContact OE2-NH2 2.81Å; T404-R406 PolarHBondContact O-N 3.47Å; R406-L408 PolarHBondContact O-N 3.41Å; R406-L408 VanDerWaalsContact O-N 3.15Å
407L25.4Very low25.9Very low134 Ų134126.4 Ų126.470%0.70270%0.696SS**  trans-47.1117.7143.3-76.4164.9000105.5L405 E409L405-L407 VanDerWaalsContact C-N 3.25Å; L405-L407 PolarHBondContact O-N 3.5Å; L407-E409 PolarHBondContact O-N 3.38Å
408L26Very low25.6Very low105 Ų105133.4 Ų133.455%0.5573%0.727SS.*  trans-63.7105.1-174.6-76.4110.2000109.2R406 F519R406-L408 PolarHBondContact O-N 3.41Å; R406-L408 VanDerWaalsContact O-N 3.15Å; L408-F519 HydrophobicContact CB-CE1 3.81Å; L408-F519 HydrophobicContact CB-CE2 4.5Å; L408-F519 HydrophobicContact CB-CZ 3.5Å; L408-F519 VanDerWaalsContact CB-CZ 3.5Å; L408-F519 HydrophobicContact CD1-CE2 3.96Å; L408-F519 HydrophobicContact CD1-CZ 3.68Å; L408-F519 HydrophobicContact CD2-CZ 4.14Å; L408-F519 HydrophobicContact CG-CZ 3.95Å
409E24.7Very low25.4Very low182 Ų182133.4 Ų133.485%0.8574%0.741SS**  trans-60.9126.3168.2-67.9-172.6156.700108.2L407L407-E409 PolarHBondContact O-N 3.38Å
410P27.8Very low25Very low108 Ų108134.3 Ų134.370%0.70175%0.752SS**  trans-76.8130.9-173.829.1-33.6000110.7G412P410-G412 PolarHBondContact O-N 2.86Å
411P26.1Very low25Very low129 Ų129140.6 Ų140.684%0.83877%0.765SS**  trans-72.8114.6169.729.3-32000109.9
412G25Very low24.8Very low74 Ų74143.6 Ų143.676%0.76378%0.779SS**  trans60.591.9157.400000118.1P410P410-G412 PolarHBondContact O-N 2.86Å
413V26.8Very low24.8Very low144 Ų144142.4 Ų142.487%0.87379%0.788SS**  trans-131.9123.5149.4-176.40000108.8
414H26.2Very low24.6Very low179 Ų179142.6 Ų142.683%0.82979%0.789SS**  trans-57.9143.2-179.8-75.3-90.2000113.1P416H414-P416 WeakPolarHBondContact O-CD 3.48Å
415E21.1Very low24.6Very low187 Ų187146.9 Ų146.987%0.87480%0.803SS**  trans-60.6140.4160.2-62.8-179.7132.100111
416P25.3Very low24.7Very low122 Ų122144.3 Ų144.379%0.79279%0.794SS**  trans-115.4130146.322.5-5.8000110.5H414H414-P416 WeakPolarHBondContact O-CD 3.48Å
417E22.3Very low24.7Very low179 Ų179144.9 Ų144.984%0.83681%0.808SS**  trans-65.1171.3178.3-58.6174.711000113.6
418M22.8Very low24.6Very low181 Ų181143.1 Ų143.189%0.89281%0.807SS**  trans74.8104.3162.3-53.6-173.770.600118.6
419A25.6Very low24.5Very low103 Ų103145 Ų14585%0.85182%0.818SS**  -166.298.8103.200000112
420S22Very low24.6Very low118 Ų118143.3 Ų143.383%0.82581%0.814SS**  trans-65.8132.9168.555.50000112
421K27.9Very low24.4Very low210 Ų210142.6 Ų142.691%0.91382%0.818SS**  trans-140.4130143.7-99.3-176.8-175.6175.70110.7
422Q23.1Very low24.4Very low172 Ų172145.2 Ų145.280%0.80482%0.816SS**  trans-74.9141.5-172.5-63.7146.6-50.800111.7
423S24.8Very low24.5Very low127 Ų127146.3 Ų146.389%0.88881%0.812SS**  -136.6111.1128.2480000107.5
424T22.2Very low24.6Very low117 Ų117146.8 Ų146.872%0.71881%0.81SS**  trans-99.1133.6-178.345.10000109.8
425E24Very low24.6Very low184 Ų184140.3 Ų140.386%0.8679%0.792SS**  trans-151.9112.1149.5-114161.3-151.900109.5
426T26.4Very low25.5Very low121 Ų121141.5 Ų141.574%0.74279%0.788SS**  trans37.5114.7148.955.80000118.4
427L23.1Very low26.1Very low166 Ų166141.1 Ų141.187%0.86978%0.779SS**  cis56.612433.5-104.4173.5000114.7
428S23.8Very low27.7Very low98 Ų98136.8 Ų136.869%0.68576%0.764SS**  trans93.3131.9-168.472.80000114.5
429D24.1Very low29.3Very low143 Ų143131.8 Ų131.877%0.76575%0.746SS**  cis-156.5176.6-6.5-97-27.2000110
430N26.9Very low31.6Very low147 Ų147127.5 Ų127.579%0.78671%0.709SS**  trans75.578163.5-56.4-40.3000118.6F432N430-F432 PolarHBondContact O-N 3.47Å; N430-F432 VanDerWaalsContact O-N 3.15Å
431A23.9Very low34.3Very low93 Ų93125.2 Ų125.277%0.76969%0.693SS**  trans-70.692.8150.800000110.9
432F25.1Very low36.9Very low185 Ų185116.5 Ų116.581%0.81166%0.656SS**  trans-152.3115.8165.3-100.8-78.2000112.4N430N430-F432 PolarHBondContact O-N 3.47Å; N430-F432 VanDerWaalsContact O-N 3.15Å
433S26.1Very low39.7Very low97 Ų97111.2 Ų111.268%0.67864%0.637SS**  trans66.1158.9162710000120
434N29.2Very low42.2Very low153 Ų153111.7 Ų111.782%0.81863%0.629SS**  trans83.6141.5163.5-50.6-29.3000117.8
435G27.8Very low44.7Very low44 Ų44110.1 Ų110.145%0.45462%0.623SS.*  trans-68.6149.7-166.300000113.9I437G435-I437 PolarHBondContact O-N 3.05Å
436R38.4Very low47.1Very low211 Ų211101.7 Ų101.780%0.79658%0.584SS**  trans-54.7108-173.3-89.4-179.4169.1153.5-4.5112.2T438R436-T438 PolarHBondContact O-N 2.59Å
437I39.3Very low49.3Very low115 Ų11596.8 Ų96.859%0.5955%0.554SS**  trans-60114.9164.2-67.5170.9000107.8G435 C633G435-I437 PolarHBondContact O-N 3.05Å; I437-C633 HydrophobicContact CG2-CB 3.23Å
438T54.5Low51.4Low88 Ų8895.3 Ų95.354%0.5454%0.543SS..EExtended strand (participates in β ladder)trans-97.5104.1177.2510000109.7R436 C633 F634R436-T438 PolarHBondContact O-N 2.59Å; T438-C633 CarbonylContact O-C 3.51Å; T438-C633 WeakPolarHBondContact O-CA 3.45Å; T438-F634 PolarHBondContact N-O 3.32Å; T438-F634 PolarHBondContact O-N 3.47Å; T438-F634 PolarHBondContact OG1-O 2.86Å
439C57.3Low53.3Low75 Ų7591.3 Ų91.351%0.50752%0.515SS..EExtended strand (participates in β ladder)trans-75.1138.9174.3-62.10000111.2C633C439-C633 WeakPolarHBondContact CA-SG 3.06Å; C439-C633 HydrophobicContact CB-CB 3.85Å; C439-C633 WeakPolarHBondContact CB-SG 3.4Å; C439-C633 WeakPolarHBondContact SG-CB 3.33Å; C439-C633 CovalentContact SG-SG 2.04Å; C439-C633 PolarHBondContact SG-SG 2.75Å
440L74.2Confident55.8Low14 Ų1487.1 Ų87.17%0.07349%0.49CS..  trans-64.8135.2163.7-74.6174.5000109.2R616 K619 M623 L631 P632 F634L440-R616 HydrophobicContact CD2-CB 4.33Å; L440-K619 HydrophobicContact CD1-CB 4.26Å; L440-K619 HydrophobicContact CD1-CD 3.85Å; L440-K619 HydrophobicContact CD1-CG 3.72Å; L440-K619 HydrophobicContact CD2-CB 4.33Å; L440-K619 HydrophobicContact CD2-CD 4.45Å; L440-M623 HydrophobicContact CD1-CE 4.16Å; L440-M623 HydrophobicContact CD1-SD 3.59Å; L440-M623 VanDerWaalsContact CD1-SD 3.59Å; L440-L631 HydrophobicContact CB-CB 4Å; L440-L631 HydrophobicContact CB-CD1 4.4Å; L440-L631 HydrophobicContact CB-CD2 4.44Å; L440-L631 WeakPolarHBondContact O-CB 3.18Å; L440-L631 VanDerWaalsContact O-CD1 3.27Å; L440-L631 WeakPolarHBondContact O-CD1 2.99Å; L440-P632 HydrophobicContact CD1-CG 4.09Å; L440-P632 PolarHBondContact N-O 2.91Å; L440-F634 HydrophobicContact CD1-CE2 3.87Å; L440-F634 HydrophobicContact CD1-CZ 4.49Å; L440-F634 HydrophobicContact CG-CE2 3.9Å
441S78.6Confident58.4Low69 Ų6980.2 Ų80.248%0.48345%0.453SS..  trans-150.6167.5171.965.90000109.7S620S441-S620 PolarHBondContact N-OG 3.3Å; S441-S620 VanDerWaalsContact O-CB 3.31Å; S441-S620 WeakPolarHBondContact O-CB 3.04Å; S441-S620 PolarHBondContact O-OG 3.04Å
442I82.3Confident60.9Low27 Ų2778 Ų7814%0.13843%0.431CS..  trans-93.5107.7164.1-61172.5000105.3A588 K589 Y593 L617 V621 V624I442-A588 HydrophobicContact CD1-CB 4.4Å; I442-A588 HydrophobicContact CG2-CB 4.33Å; I442-K589 HydrophobicContact CG2-CD 4.07Å; I442-K589 HydrophobicContact CG2-CG 4.38Å; I442-K589 PolarHBondContact O-NZ 3.21Å; I442-Y593 HydrophobicContact CD1-CE1 4.1Å; I442-L617 HydrophobicContact CB-CD1 4.4Å; I442-L617 HydrophobicContact CG1-CD1 4.29Å; I442-L617 HydrophobicContact CG2-CD1 4.06Å; I442-V621 HydrophobicContact CD1-CG2 4.14Å; I442-V621 HydrophobicContact CG1-CG2 4.19Å; I442-V624 HydrophobicContact CD1-CG2 4.34Å
443P81.9Confident63.1Low62 Ų6269.3 Ų69.340%0.40339%0.393SS..  trans-52146-174.4-26.234.9000112Y585 K589P443-Y585 VanDerWaalsContact O-CE2 3.26Å; P443-Y585 WeakPolarHBondContact O-CE2 3.48Å; P443-Y585 PolarHBondContact O-OH 2.96Å; P443-Y585 VanDerWaalsContact O-OH 3.06Å; P443-K589 WeakPolarHBondContact O-CE 3.27Å; P443-K589 PolarHBondContact O-NZ 2.93Å
444D77.5Confident65Low137 Ų13766.5 Ų66.573%0.73338%0.38SS*.SBendtrans-83-26.1-177-69.5-45.3000114.5Y585 K589D444-Y585 PolarHBondContact O-OH 2.96Å; D444-Y585 VanDerWaalsContact O-OH 3.11Å; D444-K589 IonicContact OD1-NZ 3.94Å; D444-K589 PolarHBondContact OD1-NZ 3.34Å
445S74.9Confident66.8Low84 Ų8463.8 Ų63.859%0.58737%0.366SS*.SBendtrans-88.3142.9169.7-52.20000110.3Y585S445-Y585 PolarHBondContact O-OH 3.12Å
446P73.8Confident68.9Low6 Ų663.3 Ų63.34%0.03935%0.351CS..PPolyproline II helixtrans-62.1153.5171.332.1-34.6000109.3Q448 V551 F554 N555 Y585P446-Q448 PolarHBondContact O-N 2.89Å; P446-V551 HydrophobicContact CG-CG1 4.05Å; P446-F554 HydrophobicContact CB-CD1 3.97Å; P446-F554 HydrophobicContact CB-CE1 4.31Å; P446-F554 HydrophobicContact CG-CD1 3.67Å; P446-F554 HydrophobicContact CG-CE1 4.17Å; P446-N555 WeakPolarHBondContact CG-OD1 3.38Å; P446-Y585 VanDerWaalsContact CA-CE1 3.44Å; P446-Y585 HydrophobicContact CB-CD1 4.13Å; P446-Y585 HydrophobicContact CB-CE1 3.72Å
447P72.4Confident70.3Confident18 Ų1855.4 Ų55.412%0.11734%0.336CS..PPolyproline II helixtrans-57.5139171.228.7-35.4000108.4T449 Y581 L582P447-T449 HydrophobicContact CB-CG2 4.07Å; P447-T449 HydrophobicContact CG-CG2 4.1Å; P447-T449 PolarHBondContact O-N 3.04Å; P447-Y581 HydrophobicContact CB-CD1 4.04Å; P447-Y581 HydrophobicContact CB-CE1 3.34Å; P447-Y581 HydrophobicContact CG-CD1 4.03Å; P447-Y581 HydrophobicContact CG-CE1 3.76Å; P447-Y581 HydrophobicContact CG-CE2 4.44Å; P447-L582 HydrophobicContact CG-CD1 4.42Å
448Q67.6Low71.7Confident136 Ų13650.4 Ų50.464%0.63631%0.31SS*.  trans-7649.4178.6-70.9-69.9-2.900110.9P446 F450P446-Q448 PolarHBondContact O-N 2.89Å; Q448-F450 PolarHBondContact O-N 3.01Å
449T64.1Low72.2Confident14 Ų1453.7 Ų53.79%0.08631%0.313CS..  trans-62.4135.2178.3500000109.9P447 R517 E578 Y581P447-T449 HydrophobicContact CB-CG2 4.07Å; P447-T449 HydrophobicContact CG-CG2 4.1Å; P447-T449 PolarHBondContact O-N 3.04Å; T449-R517 PolarHBondContact O-NH1 3.16Å; T449-R517 PolarHBondContact O-NH2 3.07Å; T449-E578 HydrophobicContact CG2-CB 4.28Å; T449-E578 HydrophobicContact CG2-CG 4.07Å; T449-Y581 HydrophobicContact CG2-CD1 3.87Å; T449-Y581 HydrophobicContact CG2-CE1 4.35Å
450F76Confident72.7Confident55 Ų5552.9 Ų52.924%0.24131%0.306CS..  trans-140.8113.7164.9166.7-113.2000104.8Q448 S452 P453 L511 L514 I544 Q548Q448-F450 PolarHBondContact O-N 3.01Å; F450-S452 PolarHBondContact O-N 2.91Å; F450-S452 VanDerWaalsContact O-N 3.12Å; F450-P453 HydrophobicContact CZ-CG 4.34Å; F450-L511 HydrophobicContact CZ-CD2 4.46Å; F450-L514 HydrophobicContact CB-CD1 4.42Å; F450-L514 HydrophobicContact CD1-CD2 3.91Å; F450-L514 HydrophobicContact CD2-CD1 4.22Å; F450-L514 HydrophobicContact CD2-CD2 4.18Å; F450-L514 HydrophobicContact CE1-CD2 3.79Å; F450-L514 HydrophobicContact CE2-CD2 4.08Å; F450-L514 HydrophobicContact CG-CD1 4.2Å; F450-L514 HydrophobicContact CG-CD2 4.1Å; F450-L514 HydrophobicContact CZ-CD2 3.87Å; F450-I544 HydrophobicContact CE2-CG2 4.2Å; F450-Q548 HydrophobicContact CD2-CG 4.22Å; F450-Q548 VanDerWaalsContact CE2-NE2 3.31Å
451I81.5Confident72.2Confident2 Ų256.3 Ų56.31%0.0132%0.318CS..  trans-65.8114.6172.8-60158000106.5P453 K456 D543 I544 N547 E576 E578I451-P453 WeakPolarHBondContact O-CD 3.41Å; I451-K456 HydrophobicContact CG2-CG 4.36Å; I451-D543 VanDerWaalsContact CD1-OD2 3.25Å; I451-D543 WeakPolarHBondContact CD1-OD2 3.38Å; I451-I544 HydrophobicContact CB-CG1 4.06Å; I451-I544 HydrophobicContact CB-CG2 4.44Å; I451-I544 HydrophobicContact CD1-CG1 4.36Å; I451-I544 HydrophobicContact CG2-CD1 4.29Å; I451-I544 HydrophobicContact CG2-CG1 3.92Å; I451-N547 HydrophobicContact CD1-CB 4.11Å; I451-N547 WeakPolarHBondContact CD1-ND2 3.27Å; I451-E576 HydrophobicContact CD1-CG 3.78Å; I451-E576 HydrophobicContact CG1-CG 3.86Å; I451-E576 HydrophobicContact CG2-CG 4.42Å; I451-E576 WeakPolarHBondContact CG2-OE2 3.49Å; I451-E578 HydrophobicContact CG1-CB 4.06Å
452S76Confident71.5Confident45 Ų4555.5 Ų55.532%0.31531%0.308SS..  trans-64.4129.3173.7177.10000108.7F450 G454 N455F450-S452 PolarHBondContact O-N 2.91Å; F450-S452 VanDerWaalsContact O-N 3.12Å; S452-G454 PolarHBondContact O-N 2.92Å; S452-G454 PolarHBondContact OG-N 3.46Å; S452-N455 WeakPolarHBondContact O-CB 3.35Å; S452-N455 PolarHBondContact O-N 2.95Å
453P71.9Confident70.7Confident3 Ų357.2 Ų57.22%0.01931%0.313CS..G310 helixtrans-55.5-24.7170.2-24.934.1000112.3F450 I451 K456 G457 V458 T460 L507 I544F450-P453 HydrophobicContact CZ-CG 4.34Å; I451-P453 WeakPolarHBondContact O-CD 3.41Å; P453-K456 CarbonylContact O-C 3.15Å; P453-K456 PolarHBondContact O-N 2.95Å; P453-K456 VanDerWaalsContact O-N 3.12Å; P453-G457 PolarHBondContact O-N 3.04Å; P453-V458 CarbonylContact C-O 3.58Å; P453-V458 HydrophobicContact CB-CB 3.91Å; P453-V458 HydrophobicContact CB-CG1 4.26Å; P453-V458 WeakPolarHBondContact O-CA 3.49Å; P453-V458 VanDerWaalsContact O-CB 3.31Å; P453-V458 WeakPolarHBondContact O-CB 3.47Å; P453-V458 PolarHBondContact O-N 2.66Å; P453-T460 HydrophobicContact CB-CG2 3.97Å; P453-T460 HydrophobicContact CG-CG2 4.2Å; P453-L507 HydrophobicContact CB-CD1 3.77Å; P453-L507 HydrophobicContact CG-CD1 3.58Å; P453-I544 HydrophobicContact CB-CD1 4.41Å; P453-I544 HydrophobicContact CG-CD1 4.32Å
454G66.3Low69.6Low39 Ų3962.4 Ų62.440%0.40233%0.325SS..G310 helixtrans-63.4-34.2172.200000114S452 K456 G457S452-G454 PolarHBondContact O-N 2.92Å; S452-G454 PolarHBondContact OG-N 3.46Å; G454-K456 PolarHBondContact O-N 3.09Å; G454-G457 PolarHBondContact O-N 3.04Å
455N67.4Low68.5Low96 Ų9659 Ų5951%0.51330%0.304SS..G310 helixtrans-60.6-28.2173.6-64.99.6000110.9S452 E578S452-N455 WeakPolarHBondContact O-CB 3.35Å; S452-N455 PolarHBondContact O-N 2.95Å; N455-E578 PolarHBondContact ND2-OE1 3.37Å
456K70.5Confident67.5Low33 Ų3359.4 Ų59.414%0.14330%0.297CS..G310 helixtrans-96.318.3177.4-52.3-150.3172.2-1420113.9I451 P453 G454 V458 Y541 D543 I544 D573 E576I451-K456 HydrophobicContact CG2-CG 4.36Å; P453-K456 CarbonylContact O-C 3.15Å; P453-K456 PolarHBondContact O-N 2.95Å; P453-K456 VanDerWaalsContact O-N 3.12Å; G454-K456 PolarHBondContact O-N 3.09Å; K456-V458 PolarHBondContact O-N 3.44Å; K456-Y541 HydrophobicContact CB-CD1 4.05Å; K456-Y541 HydrophobicContact CB-CE1 3.88Å; K456-Y541 HydrophobicContact CD-CD1 3.94Å; K456-D543 WeakPolarHBondContact CE-OD2 3.38Å; K456-D543 IonicContact NZ-OD1 3.27Å; K456-D543 PolarHBondContact NZ-OD1 3.28Å; K456-D543 IonicContact NZ-OD2 2.74Å; K456-D543 PolarHBondContact NZ-OD2 2.89Å; K456-I544 HydrophobicContact CD-CD1 4.09Å; K456-I544 HydrophobicContact CD-CG1 4.24Å; K456-I544 HydrophobicContact CG-CD1 4.43Å; K456-D573 IonicContact NZ-OD2 3.74Å; K456-D573 PolarHBondContact NZ-OD2 2.67Å; K456-E576 WeakPolarHBondContact CE-OE2 3.35Å; K456-E576 IonicContact NZ-OE2 3.08Å
457G68.6Low66.6Low46 Ų4662.6 Ų62.647%0.47431%0.309SS..THydrogen-bonded Turntrans73.93.9179.700000115.4P453 G454 R459P453-G457 PolarHBondContact O-N 3.04Å; G454-G457 PolarHBondContact O-N 3.04Å; G457-R459 PolarHBondContact O-N 3.22Å
458V67.8Low65.6Low10 Ų1064.9 Ų64.96%0.06133%0.326CS..  trans-83.799.2179.5-176.40000109.6P453 K456 T460 Y463 W506 L507 Y541P453-V458 CarbonylContact C-O 3.58Å; P453-V458 HydrophobicContact CB-CB 3.91Å; P453-V458 HydrophobicContact CB-CG1 4.26Å; P453-V458 WeakPolarHBondContact O-CA 3.49Å; P453-V458 VanDerWaalsContact O-CB 3.31Å; P453-V458 WeakPolarHBondContact O-CB 3.47Å; P453-V458 PolarHBondContact O-N 2.66Å; K456-V458 PolarHBondContact O-N 3.44Å; V458-T460 VanDerWaalsContact C-N 3.34Å; V458-T460 PolarHBondContact O-N 2.93Å; V458-Y463 HydrophobicContact CG1-CE2 4.11Å; V458-W506 HydrophobicContact CB-CH2 4.42Å; V458-W506 HydrophobicContact CG1-CH2 4.13Å; V458-W506 HydrophobicContact CG1-CZ2 4.16Å; V458-W506 HydrophobicContact CG2-CH2 3.98Å; V458-W506 HydrophobicContact CG2-CZ2 4.11Å; V458-L507 HydrophobicContact CG1-CD1 4.45Å; V458-L507 HydrophobicContact CG1-CD2 3.97Å; V458-Y541 HydrophobicContact CG2-CD1 4.36Å; V458-Y541 HydrophobicContact CG2-CE1 3.66Å; V458-Y541 HydrophobicContact CG2-CE2 4.04Å; V458-Y541 VanDerWaalsContact CG2-CZ 3.46Å; V458-Y541 WeakPolarHBondContact CG2-OH 3.37Å
459R66.5Low64.8Low156 Ų15665.8 Ų65.859%0.58933%0.328SS*.  trans-70.184.2178.6-62.8-166.6-55.4-141.2-2.7111.7G457 R461 D462G457-R459 PolarHBondContact O-N 3.22Å; R459-R461 PolarHBondContact O-N 3.44Å; R459-R461 VanDerWaalsContact O-N 3.1Å; R459-D462 HydrophobicContact CB-CB 4.46Å; R459-D462 IonicContact CZ-OD2 3.33Å; R459-D462 VanDerWaalsContact CZ-OD2 3.27Å; R459-D462 IonicContact NE-OD1 3.95Å; R459-D462 IonicContact NE-OD2 3.85Å; R459-D462 PolarHBondContact NE-OD2 3.21Å; R459-D462 IonicContact NH2-OD2 2.75Å; R459-D462 PolarHBondContact NH2-OD2 3.4Å; R459-D462 WeakPolarHBondContact O-CB 3.47Å; R459-D462 PolarHBondContact O-N 3.14Å
460T66.3Low64.3Low59 Ų5970.1 Ų70.136%0.36235%0.349SS..Hα-helixtrans-50.6-34.1175.7530000113.4P453 V458 D462 Y463 W464 L507P453-T460 HydrophobicContact CB-CG2 3.97Å; P453-T460 HydrophobicContact CG-CG2 4.2Å; V458-T460 VanDerWaalsContact C-N 3.34Å; V458-T460 PolarHBondContact O-N 2.93Å; T460-D462 VanDerWaalsContact C-N 3.26Å; T460-D462 PolarHBondContact O-N 3.01Å; T460-Y463 PolarHBondContact O-N 3.43Å; T460-W464 PolarHBondContact O-N 3.22Å; T460-L507 HydrophobicContact CG2-CD1 4.18Å; T460-L507 HydrophobicContact CG2-CD2 4.46Å
461R64Low63.1Low85 Ų8573.7 Ų73.732%0.32136%0.361SS..Hα-helixtrans-56.7-33175-166.1-178.9-170.8162.311.4113.4P28 D29 E31 R459 W464 K465P28-R461 PolarHBondContact O-NH1 2.86Å; P28-R461 PolarHBondContact O-NH2 3.29Å; D29-R461 IonicContact OD1-CZ 3.33Å; D29-R461 IonicContact OD1-NH2 2.89Å; D29-R461 PolarHBondContact OD1-NH2 2.88Å; E31-R461 IonicContact OE2-NH1 2.84Å; R459-R461 PolarHBondContact O-N 3.44Å; R459-R461 VanDerWaalsContact O-N 3.1Å; R461-W464 PolarHBondContact O-N 2.92Å; R461-K465 PolarHBondContact O-N 3.44Å
462D64.2Low61.4Low53 Ų5381.9 Ų81.928%0.28340%0.397SS..Hα-helixtrans-68-42.3-177.7-69.8-11.5000111.3R459 T460 W464 K465 M466R459-D462 HydrophobicContact CB-CB 4.46Å; R459-D462 IonicContact CZ-OD2 3.33Å; R459-D462 VanDerWaalsContact CZ-OD2 3.27Å; R459-D462 IonicContact NE-OD1 3.95Å; R459-D462 IonicContact NE-OD2 3.85Å; R459-D462 PolarHBondContact NE-OD2 3.21Å; R459-D462 IonicContact NH2-OD2 2.75Å; R459-D462 PolarHBondContact NH2-OD2 3.4Å; R459-D462 WeakPolarHBondContact O-CB 3.47Å; R459-D462 PolarHBondContact O-N 3.14Å; T460-D462 VanDerWaalsContact C-N 3.26Å; T460-D462 PolarHBondContact O-N 3.01Å; D462-W464 VanDerWaalsContact C-N 3.29Å; D462-W464 PolarHBondContact O-N 3.26Å; D462-K465 WeakPolarHBondContact O-CB 3.39Å; D462-K465 PolarHBondContact O-N 3.43Å; D462-M466 PolarHBondContact O-N 2.92Å; D462-M466 VanDerWaalsContact O-N 3.08Å
463Y64.6Low60Low63 Ų6387 Ų8725%0.24742%0.421CS..Hα-helixtrans-66.3-33.3173.5-55.4-64.6000111.8V458 T460 M466 Y467 G503 P504 L507V458-Y463 HydrophobicContact CG1-CE2 4.11Å; T460-Y463 PolarHBondContact O-N 3.43Å; Y463-M466 HydrophobicContact CD1-SD 4.24Å; Y463-M466 WeakPolarHBondContact O-CB 3.48Å; Y463-M466 PolarHBondContact O-N 3.49Å; Y463-M466 VanDerWaalsContact O-N 3.17Å; Y463-Y467 PolarHBondContact O-N 3.2Å; Y463-G503 VanDerWaalsContact CD1-CA 3.45Å; Y463-P504 HydrophobicContact CE1-CG 4.46Å; Y463-P504 HydrophobicContact CE2-CG 4.46Å; Y463-L507 HydrophobicContact CD2-CD2 3.46Å; Y463-L507 VanDerWaalsContact CD2-CD2 3.46Å; Y463-L507 HydrophobicContact CE2-CD2 3.5Å; Y463-L507 VanDerWaalsContact CE2-CD2 3.5Å; Y463-L507 HydrophobicContact CG-CD2 4.42Å
464W60.3Low58.5Low170 Ų17094.6 Ų94.664%0.64446%0.456SS*.Hα-helixtrans-69.1-34.4174-133.5-144.3000112.8T460 R461 D462 M466 Y467 S468T460-W464 PolarHBondContact O-N 3.22Å; R461-W464 PolarHBondContact O-N 2.92Å; D462-W464 VanDerWaalsContact C-N 3.29Å; D462-W464 PolarHBondContact O-N 3.26Å; W464-M466 VanDerWaalsContact C-N 3.33Å; W464-Y467 HydrophobicContact CE3-CD1 4.37Å; W464-Y467 HydrophobicContact CE3-CG 4.19Å; W464-Y467 HydrophobicContact CH2-CD1 4.18Å; W464-Y467 HydrophobicContact CH2-CE1 4.36Å; W464-Y467 HydrophobicContact CH2-CG 4.49Å; W464-Y467 HydrophobicContact CZ3-CD1 4.01Å; W464-Y467 HydrophobicContact CZ3-CD2 4.32Å; W464-Y467 AromaticContact CZ3-CG 3.89Å; W464-Y467 HydrophobicContact CZ3-CG 3.89Å; W464-Y467 PolarHBondContact O-N 3.4Å; W464-S468 PolarHBondContact O-N 2.82Å; W464-S468 PolarHBondContact O-OG 3.14Å
465K54.8Low56.9Low67 Ų6798.2 Ų98.229%0.29147%0.472SS..Hα-helixtrans-66.5-29.7168.2-71.7-179178-175.30112.8S32 R461 D462 S468 K469S32-K465 PolarHBondContact OG-NZ 2.87Å; R461-K465 PolarHBondContact O-N 3.44Å; D462-K465 WeakPolarHBondContact O-CB 3.39Å; D462-K465 PolarHBondContact O-N 3.43Å; K465-S468 PolarHBondContact O-OG 3.46Å; K465-K469 WeakPolarHBondContact O-CB 3.29Å; K465-K469 VanDerWaalsContact O-CG 3.27Å; K465-K469 WeakPolarHBondContact O-CG 3.42Å; K465-K469 PolarHBondContact O-N 3.18Å; K465-K469 VanDerWaalsContact O-N 3.09Å
466M53.7Low55.4Low92 Ų9299.6 Ų99.645%0.45349%0.485SS..Hα-helixtrans-70.1-45171.6-66.5175.2-177.400111.4D462 Y463 W464 S468 K469 L470D462-M466 PolarHBondContact O-N 2.92Å; D462-M466 VanDerWaalsContact O-N 3.08Å; Y463-M466 HydrophobicContact CD1-SD 4.24Å; Y463-M466 WeakPolarHBondContact O-CB 3.48Å; Y463-M466 PolarHBondContact O-N 3.49Å; Y463-M466 VanDerWaalsContact O-N 3.17Å; W464-M466 VanDerWaalsContact C-N 3.33Å; M466-S468 VanDerWaalsContact C-N 3.34Å; M466-S468 PolarHBondContact O-N 2.83Å; M466-K469 PolarHBondContact O-N 2.86Å; M466-L470 PolarHBondContact O-N 3.18Å; M466-L470 VanDerWaalsContact O-N 3.09Å
467Y54.7Low53.8Low72 Ų72103.5 Ų103.528%0.28252%0.516SS..Hα-helixtrans-59.3-41.7175.4-172.7-96.3000112.3Y463 W464 L478 L502Y463-Y467 PolarHBondContact O-N 3.2Å; W464-Y467 HydrophobicContact CE3-CD1 4.37Å; W464-Y467 HydrophobicContact CE3-CG 4.19Å; W464-Y467 HydrophobicContact CH2-CD1 4.18Å; W464-Y467 HydrophobicContact CH2-CE1 4.36Å; W464-Y467 HydrophobicContact CH2-CG 4.49Å; W464-Y467 HydrophobicContact CZ3-CD1 4.01Å; W464-Y467 HydrophobicContact CZ3-CD2 4.32Å; W464-Y467 AromaticContact CZ3-CG 3.89Å; W464-Y467 HydrophobicContact CZ3-CG 3.89Å; W464-Y467 PolarHBondContact O-N 3.4Å; Y467-L478 VanDerWaalsContact OH-CD1 3.31Å; Y467-L478 WeakPolarHBondContact OH-CD1 3.47Å; Y467-L502 HydrophobicContact CD2-CD1 4.15Å; Y467-L502 HydrophobicContact CD2-CD2 3.72Å; Y467-L502 HydrophobicContact CG-CD2 4.36Å
468S51.4Low52.4Low67 Ų67105.7 Ų105.747%0.46952%0.516SS..Hα-helixtrans-71.6-33.9176.569.60000113.6W464 K465 M466 R471W464-S468 PolarHBondContact O-N 2.82Å; W464-S468 PolarHBondContact O-OG 3.14Å; K465-S468 PolarHBondContact O-OG 3.46Å; M466-S468 VanDerWaalsContact C-N 3.34Å; M466-S468 PolarHBondContact O-N 2.83Å; S468-R471 WeakPolarHBondContact O-CB 3.41Å; S468-R471 PolarHBondContact O-N 3.28Å; S468-R471 VanDerWaalsContact O-N 3.17Å
469K50Low51Low155 Ų155109.5 Ų109.567%0.67454%0.541SS*.Hα-helixtrans-65.8-36.5174.8-81.5176.8178.6-179.20113.1K465 M466 R471K465-K469 WeakPolarHBondContact O-CB 3.29Å; K465-K469 VanDerWaalsContact O-CG 3.27Å; K465-K469 WeakPolarHBondContact O-CG 3.42Å; K465-K469 PolarHBondContact O-N 3.18Å; K465-K469 VanDerWaalsContact O-N 3.09Å; M466-K469 PolarHBondContact O-N 2.86Å; K469-R471 PolarHBondContact O-N 2.02Å
470L53.5Low49.9Very low104 Ų104110.9 Ų110.955%0.54556%0.557SS.*THydrogen-bonded Turntrans-65.7-13.5173.8-76.6160.3000113.4M466 L502M466-L470 PolarHBondContact O-N 3.18Å; M466-L470 VanDerWaalsContact O-N 3.09Å; L470-L502 HydrophobicContact CD1-CD2 3.38Å; L470-L502 HydrophobicContact CD1-CG 4.21Å
471R51Low49.3Very low130 Ų130115.8 Ų115.849%0.49158%0.575SS.*THydrogen-bonded Turntrans-97.65.4-170.5-149.3176177-168.2-3.8114.4S468 K469 D473S468-R471 WeakPolarHBondContact O-CB 3.41Å; S468-R471 PolarHBondContact O-N 3.28Å; S468-R471 VanDerWaalsContact O-N 3.17Å; K469-R471 PolarHBondContact O-N 2.02Å; R471-D473 PolarHBondContact O-N 2.97Å
472K46.1Very low49.4Very low175 Ų175116.3 Ų116.376%0.76158%0.581SS**THydrogen-bonded Turntrans-67.4-17.5-176.2-77.5-167.9171-168.70114.7
473D46.5Very low49.7Very low151 Ų151115.5 Ų115.581%0.80758%0.579SS**THydrogen-bonded Turntrans-112.33.1-170.7-59.1-35.7000114.8R471R471-D473 PolarHBondContact O-N 2.97Å
474E40Very low49.9Very low164 Ų164119.2 Ų119.277%0.76660%0.602SS**  trans-128.4123.8-177.9-72.8-171161.300113.8
475P33.4Very low50.4Low114 Ų114111.8 Ų111.874%0.7458%0.576SS**  trans-84.4140-179.233.6-34.2000113.2
476T34.5Very low50.6Low126 Ų126111.9 Ų111.977%0.77359%0.585SS**SBendtrans45.6124.8152.452.50000120.1
477S38.5Very low50.2Low114 Ų114111.7 Ų111.780%0.79759%0.591SS**  trans74.796.2178.476.20000115.9
478L38.3Very low49.4Very low93 Ų93116 Ų11649%0.48762%0.618SS.*  trans-71.4130.3150.5-86.1157.8000107Y467 M480Y467-L478 VanDerWaalsContact OH-CD1 3.31Å; Y467-L478 WeakPolarHBondContact OH-CD1 3.47Å; L478-M480 PolarHBondContact O-N 2.81Å
479P37.7Very low48.3Very low89 Ų89118.5 Ų118.558%0.57863%0.631SS**  trans-59.6135161.526.8-32.2000108Q481P479-Q481 HydrophobicContact CB-CG 4.32Å; P479-Q481 HydrophobicContact CG-CG 4.19Å; P479-Q481 PolarHBondContact O-N 3.3Å
480M45.1Very low47.3Very low186 Ų186120 Ų12092%0.91664%0.64SS**  trans-66.982.4174.4-80.2-157.3-78.400110.2L478L478-M480 PolarHBondContact O-N 2.81Å
481Q53.7Low46Very low161 Ų161126.6 Ų126.675%0.75266%0.657SS**  trans-89.4126.3175.3-71.2-172.3-4.800110P479P479-Q481 HydrophobicContact CB-CG 4.32Å; P479-Q481 HydrophobicContact CG-CG 4.19Å; P479-Q481 PolarHBondContact O-N 3.3Å
482Q64.9Low44.8Very low96 Ų96131.5 Ų131.545%0.44968%0.676SS.*  trans-71.6143.8175.5-60.3176.2-21.500109.5L484 W516Q482-L484 PolarHBondContact O-N 3.04Å; Q482-L484 VanDerWaalsContact O-N 3.14Å; Q482-W516 HydrophobicContact CB-CH2 3.66Å; Q482-W516 HydrophobicContact CB-CZ2 3.84Å; Q482-W516 HydrophobicContact CG-CH2 4.2Å
483P70.3Confident43.7Very low37 Ų37132.4 Ų132.424%0.2468%0.683CS.*  trans-67.2115.2-176.225.6-31.7000111.2A512 Y515 W516P483-A512 HydrophobicContact CB-CB 3.76Å; P483-A512 HydrophobicContact CG-CB 4.13Å; P483-Y515 VanDerWaalsContact CD-CE1 3.43Å; P483-Y515 HydrophobicContact CG-CD1 3.46Å; P483-Y515 VanDerWaalsContact CG-CD1 3.46Å; P483-Y515 HydrophobicContact CG-CD2 4.44Å; P483-Y515 HydrophobicContact CG-CE1 3.9Å; P483-Y515 HydrophobicContact CG-CG 3.81Å; P483-W516 WeakPolarHBondContact O-CZ2 3.47Å; P483-W516 PolarHBondContact O-NE1 2.87Å
484L70Confident42.8Very low140 Ų140130.7 Ų130.773%0.73368%0.678SS**  trans-78.6122.6-178.8-64.3173.4000110.9Q482Q482-L484 PolarHBondContact O-N 3.04Å; Q482-L484 VanDerWaalsContact O-N 3.14Å
485C69.4Low42.2Very low15 Ų15126.9 Ų126.910%0.10167%0.674CS.*  trans-117.929.5178-64.30000113C528 L531C485-C528 HydrophobicContact CB-CB 3.83Å; C485-C528 WeakPolarHBondContact CB-SG 3.39Å; C485-C528 VanDerWaalsContact SG-CA 3.53Å; C485-C528 WeakPolarHBondContact SG-CB 3.47Å; C485-C528 CovalentContact SG-SG 2.02Å; C485-C528 PolarHBondContact SG-SG 2.94Å; C485-L531 HydrophobicContact CB-CD1 4.28Å; C485-L531 WeakPolarHBondContact O-CD1 3.25Å
486S59.1Low41.8Very low68 Ų68128.4 Ų128.448%0.47669%0.686SS.*SBendtrans-79.6145163.844.50000109.8L488S486-L488 PolarHBondContact O-N 2.99Å
487P46.9Very low41.6Very low89 Ų89126.1 Ų126.158%0.57869%0.687SS**  trans-61.7126.3171.825.8-32.2000108.5V489P487-V489 HydrophobicContact CB-CG2 4.18Å; P487-V489 HydrophobicContact CG-CG2 4.27Å; P487-V489 PolarHBondContact O-N 3.41Å
488L36.6Very low41.2Very low161 Ų161125.5 Ų125.584%0.84368%0.675SS**  trans-70.472.3177.4-76.2170.3000110.8S486 Q490S486-L488 PolarHBondContact O-N 2.99Å; L488-Q490 PolarHBondContact O-N 3.18Å
489V28.6Very low41.3Very low121 Ų121129.1 Ų129.173%0.73370%0.695SS**  trans-77.268.7173.1-173.10000109.1P487P487-V489 HydrophobicContact CB-CG2 4.18Å; P487-V489 HydrophobicContact CG-CG2 4.27Å; P487-V489 PolarHBondContact O-N 3.41Å
490Q28.3Very low41.9Very low185 Ų185133.5 Ų133.586%0.86470%0.7SS**  trans-158.6118.5149.6-115.5167.349.500112.4L488 R492L488-Q490 PolarHBondContact O-N 3.18Å; Q490-R492 PolarHBondContact O-N 2.83Å
491R26.3Very low42.4Very low244 Ų244132.7 Ų132.792%0.92169%0.687SS**  trans-58.3116.5169.5-63169.3178.3167.1-3.4109.8
492R25.5Very low42.6Very low233 Ų233128.2 Ų128.288%0.87967%0.667SS**  trans-118.4123.4136.1-94.7-175.7170.8176.2-1.8107.5Q490 V494Q490-R492 PolarHBondContact O-N 2.83Å; R492-V494 PolarHBondContact O-N 3.4Å
493E24.6Very low42.7Very low193 Ų193124.4 Ų124.490%0.90265%0.654SS**  trans-68.785.2169.9-67.4170.1161.600107.8A495E493-A495 PolarHBondContact O-N 2.89Å
494V27.8Very low43Very low116 Ų116123.3 Ų123.370%0.70365%0.647SS**  trans-75118.7160.3-177.40000105.5R492R492-V494 PolarHBondContact O-N 3.4Å
495A25.7Very low43.5Very low83 Ų83118.6 Ų118.669%0.68663%0.625SS**  trans-56.7142.7-173.800000111.5E493 G497E493-A495 PolarHBondContact O-N 2.89Å; A495-G497 VanDerWaalsContact C-N 3.33Å; A495-G497 PolarHBondContact O-N 2.91Å
496C25.4Very low44.3Very low146 Ų146118.2 Ų118.299%0.98662%0.621SS**SBendtrans-65.390173.7-60.80000110.1
497G29.9Very low45.6Very low78 Ų78115.1 Ų115.180%0.80460%0.599SS**  trans174.415.4-179.300000117.3A495A495-G497 VanDerWaalsContact C-N 3.33Å; A495-G497 PolarHBondContact O-N 2.91Å
498D31.7Very low47.3Very low101 Ų101114 Ų11454%0.5459%0.587SS.*  trans-130.3123.5178.8-150.29.7000110.5R500D498-R500 PolarHBondContact O-N 3.25Å; D498-R500 IonicContact OD1-NE 3.39Å; D498-R500 IonicContact OD2-CZ 2.92Å; D498-R500 IonicContact OD2-NE 3.71Å; D498-R500 PolarHBondContact OD2-NE 2.96Å; D498-R500 IonicContact OD2-NH2 3.49Å; D498-R500 PolarHBondContact OD2-NH2 3.46Å
499D39.1Very low49.7Very low170 Ų170109.2 Ų109.291%0.90956%0.558SS**  trans-7221.4-161.6-95.8-34.5000116R501D499-R501 VanDerWaalsContact C-N 3.34Å; D499-R501 PolarHBondContact O-N 3.19Å; D499-R501 VanDerWaalsContact O-N 3.12Å
500R51.4Low52.5Low180 Ų180103.6 Ų103.668%0.67952%0.524SS*.  trans-88.129.3-163-52.1-170.8-159.1-150.31.5116.1D498 L502D498-R500 PolarHBondContact O-N 3.25Å; D498-R500 IonicContact OD1-NE 3.39Å; D498-R500 IonicContact OD2-CZ 2.92Å; D498-R500 IonicContact OD2-NE 3.71Å; D498-R500 PolarHBondContact OD2-NE 2.96Å; D498-R500 IonicContact OD2-NH2 3.49Å; D498-R500 PolarHBondContact OD2-NH2 3.46Å; R500-L502 PolarHBondContact O-N 2.99Å
501R54.9Low55.1Low169 Ų16998 Ų9864%0.63850%0.5SS*.  trans-78.6110.4170.5-79.9-170.8175.5-162.12.2109.9D499 G503 E537D499-R501 VanDerWaalsContact C-N 3.34Å; D499-R501 PolarHBondContact O-N 3.19Å; D499-R501 VanDerWaalsContact O-N 3.12Å; R501-G503 PolarHBondContact O-N 3.02Å; R501-E537 IonicContact CZ-OE1 3.84Å; R501-E537 IonicContact NH1-OE1 3.79Å; R501-E537 PolarHBondContact NH1-OE1 3.37Å; R501-E537 IonicContact NH1-OE2 3.04Å; R501-E537 PolarHBondContact NH1-OE2 3.2Å; R501-E537 IonicContact NH2-OE1 2.76Å
502L57.7Low57.9Low67 Ų6787 Ų8735%0.35146%0.461SS..  trans-65.5-14.5178.3-82.5167.2000115Y467 L470 R500 M508Y467-L502 HydrophobicContact CD2-CD1 4.15Å; Y467-L502 HydrophobicContact CD2-CD2 3.72Å; Y467-L502 HydrophobicContact CG-CD2 4.36Å; L470-L502 HydrophobicContact CD1-CD2 3.38Å; L470-L502 HydrophobicContact CD1-CG 4.21Å; R500-L502 PolarHBondContact O-N 2.99Å; L502-M508 HydrophobicContact CB-CE 4.38Å; L502-M508 WeakPolarHBondContact O-CE 3.45Å
503G67.5Low60.8Low16 Ų1675.9 Ų75.917%0.16542%0.419CS..SBendtrans160.8176.7179.800000110.6Y463 R501Y463-G503 VanDerWaalsContact CD1-CA 3.45Å; R501-G503 PolarHBondContact O-N 3.02Å
504P76.8Confident63.7Low14 Ų1468.4 Ų68.49%0.09139%0.385CS..  trans-69.9137.4178.129.2-34.1000110.6Y463 W506 L507 M508Y463-P504 HydrophobicContact CE1-CG 4.46Å; Y463-P504 HydrophobicContact CE2-CG 4.46Å; P504-W506 HydrophobicContact CG-CZ2 4.46Å; P504-W506 PolarHBondContact O-N 2.89Å; P504-L507 HydrophobicContact CG-CB 3.93Å; P504-L507 HydrophobicContact CG-CD2 4.31Å; P504-L507 PolarHBondContact O-N 2.76Å; P504-M508 PolarHBondContact O-N 2.92Å
505P80.8Confident66.3Low42 Ų4266 Ų6627%0.27336%0.364SS..Hα-helixtrans-58.4-43.2-172.5-25.333.6000114.2L507 M508 Y509 D535P505-L507 PolarHBondContact O-N 3.47Å; P505-M508 PolarHBondContact O-N 3.16Å; P505-Y509 HydrophobicContact CB-CD2 4.17Å; P505-Y509 HydrophobicContact CB-CE2 3.85Å; P505-Y509 WeakPolarHBondContact O-CD2 3.3Å; P505-Y509 PolarHBondContact O-N 3.41Å; P505-D535 HydrophobicContact CB-CB 4.46Å; P505-D535 WeakPolarHBondContact CD-OD2 3.39Å
506W85.9Confident69.1Low7 Ų762.7 Ų62.73%0.02733%0.334CS..Hα-helixtrans-54-36.6179.270.9-92.9000113.3V458 P504 N510 D535 E537 G538 Y541 I544V458-W506 HydrophobicContact CB-CH2 4.42Å; V458-W506 HydrophobicContact CG1-CH2 4.13Å; V458-W506 HydrophobicContact CG1-CZ2 4.16Å; V458-W506 HydrophobicContact CG2-CH2 3.98Å; V458-W506 HydrophobicContact CG2-CZ2 4.11Å; P504-W506 HydrophobicContact CG-CZ2 4.46Å; P504-W506 PolarHBondContact O-N 2.89Å; W506-N510 WeakPolarHBondContact O-CB 3.44Å; W506-N510 PolarHBondContact O-N 3.35Å; W506-N510 PolarHBondContact O-ND2 3.49Å; W506-D535 HydrophobicContact CB-CB 4Å; W506-D535 WeakPolarHBondContact CB-OD2 3.27Å; W506-D535 PolarHBondContact N-OD2 3.46Å; W506-E537 VanDerWaalsContact CD1-C 3.46Å; W506-E537 PolarHBondContact NE1-O 2.98Å; W506-G538 VanDerWaalsContact CD1-N 3.29Å; W506-Y541 HydrophobicContact CD2-CD2 4.11Å; W506-Y541 AromaticContact CE2-CD2 3.48Å; W506-Y541 VanDerWaalsContact CE2-CD2 3.48Å; W506-Y541 HydrophobicContact CE3-CD2 4.35Å; W506-Y541 HydrophobicContact CE3-CG 4.42Å; W506-Y541 HydrophobicContact CH2-CD1 4.27Å; W506-Y541 AromaticContact CH2-CD2 3.5Å; W506-Y541 HydrophobicContact CH2-CD2 3.5Å; W506-Y541 VanDerWaalsContact CH2-CD2 3.5Å; W506-Y541 HydrophobicContact CH2-CE2 4.06Å; W506-Y541 AromaticContact CH2-CG 3.61Å; W506-Y541 HydrophobicContact CH2-CG 3.61Å; W506-Y541 AromaticContact CZ2-CD2 3.15Å; W506-Y541 HydrophobicContact CZ2-CD2 3.15Å; W506-Y541 AromaticContact CZ2-CE2 3.49Å; W506-Y541 HydrophobicContact CZ2-CE2 3.49Å; W506-Y541 VanDerWaalsContact CZ2-CE2 3.49Å; W506-Y541 AromaticContact CZ2-CG 3.8Å; W506-Y541 HydrophobicContact CZ2-CG 3.8Å; W506-Y541 HydrophobicContact CZ3-CD2 4.08Å; W506-Y541 AromaticContact CZ3-CG 3.94Å; W506-Y541 HydrophobicContact CZ3-CG 3.94Å; W506-I544 HydrophobicContact CZ3-CD1 4.24Å
507L85.4Confident71.9Confident2 Ų257.1 Ų57.11%0.0129%0.292CS..Hα-helixtrans-71.2-46.9-178.6178.862.8000110.4P453 V458 T460 Y463 P504 P505 Y509 N510 L511P453-L507 HydrophobicContact CB-CD1 3.77Å; P453-L507 HydrophobicContact CG-CD1 3.58Å; V458-L507 HydrophobicContact CG1-CD1 4.45Å; V458-L507 HydrophobicContact CG1-CD2 3.97Å; T460-L507 HydrophobicContact CG2-CD1 4.18Å; T460-L507 HydrophobicContact CG2-CD2 4.46Å; Y463-L507 HydrophobicContact CD2-CD2 3.46Å; Y463-L507 VanDerWaalsContact CD2-CD2 3.46Å; Y463-L507 HydrophobicContact CE2-CD2 3.5Å; Y463-L507 VanDerWaalsContact CE2-CD2 3.5Å; Y463-L507 HydrophobicContact CG-CD2 4.42Å; P504-L507 HydrophobicContact CG-CB 3.93Å; P504-L507 HydrophobicContact CG-CD2 4.31Å; P504-L507 PolarHBondContact O-N 2.76Å; P505-L507 PolarHBondContact O-N 3.47Å; L507-Y509 VanDerWaalsContact C-N 3.32Å; L507-Y509 PolarHBondContact O-N 3Å; L507-N510 PolarHBondContact O-N 3.36Å; L507-L511 HydrophobicContact CD1-CD1 4.43Å; L507-L511 HydrophobicContact CG-CD1 4.31Å; L507-L511 WeakPolarHBondContact O-CG 3.36Å; L507-L511 PolarHBondContact O-N 3.48Å
508M82.9Confident74.1Confident66 Ų6659 Ų5933%0.32528%0.282SS..Hα-helixtrans-62.5-40.5178.6-62.8-62.2176.500111.2L502 P504 P505 L511 A512L502-M508 HydrophobicContact CB-CE 4.38Å; L502-M508 WeakPolarHBondContact O-CE 3.45Å; P504-M508 PolarHBondContact O-N 2.92Å; P505-M508 PolarHBondContact O-N 3.16Å; M508-L511 PolarHBondContact O-N 2.97Å; M508-A512 WeakPolarHBondContact O-CB 3.44Å; M508-A512 PolarHBondContact O-N 2.85Å
509Y87.1Confident76.4Confident60 Ų6057.5 Ų57.524%0.23527%0.271CS..Hα-helixtrans-68.3-35.9175.1-68.5-51.1000113.3P505 L507 A512 A513 C528 L531P505-Y509 HydrophobicContact CB-CD2 4.17Å; P505-Y509 HydrophobicContact CB-CE2 3.85Å; P505-Y509 WeakPolarHBondContact O-CD2 3.3Å; P505-Y509 PolarHBondContact O-N 3.41Å; L507-Y509 VanDerWaalsContact C-N 3.32Å; L507-Y509 PolarHBondContact O-N 3Å; Y509-A512 PolarHBondContact O-N 3.26Å; Y509-A513 WeakPolarHBondContact O-CB 3.19Å; Y509-A513 PolarHBondContact O-N 3.45Å; Y509-C528 WeakPolarHBondContact O-CB 3.39Å; Y509-L531 HydrophobicContact CD1-CB 3.86Å; Y509-L531 HydrophobicContact CD1-CD1 3.98Å; Y509-L531 HydrophobicContact CD2-CB 3.66Å; Y509-L531 HydrophobicContact CE1-CB 3.94Å; Y509-L531 HydrophobicContact CE1-CD1 3.51Å; Y509-L531 HydrophobicContact CE1-CG 4.35Å; Y509-L531 HydrophobicContact CE2-CB 3.74Å; Y509-L531 HydrophobicContact CG-CB 3.74Å
510N87.3Confident78.3Confident3 Ų352.4 Ų52.42%0.01626%0.259CS..Hα-helixtrans-66.2-37.8173.4-89-67.9000113W506 L507 A513 L514 A545 Q548W506-N510 WeakPolarHBondContact O-CB 3.44Å; W506-N510 PolarHBondContact O-N 3.35Å; W506-N510 PolarHBondContact O-ND2 3.49Å; L507-N510 PolarHBondContact O-N 3.36Å; N510-A513 WeakPolarHBondContact O-CB 3.48Å; N510-A513 PolarHBondContact O-N 2.84Å; N510-L514 PolarHBondContact O-N 2.91Å; N510-A545 WeakPolarHBondContact OD1-CA 3.44Å; N510-A545 WeakPolarHBondContact OD1-CB 3.34Å; N510-A545 PolarHBondContact OD1-N 2.92Å; N510-Q548 PolarHBondContact O-NE2 3.19Å; N510-Q548 VanDerWaalsContact O-NE2 3.14Å
511L84.3Confident79.9Confident69 Ų6949.1 Ų49.136%0.36125%0.247SC..Hα-helixtrans-71-38.4175.2-66.5173000111.5F450 L507 M508 L514 Y515F450-L511 HydrophobicContact CZ-CD2 4.46Å; L507-L511 HydrophobicContact CD1-CD1 4.43Å; L507-L511 HydrophobicContact CG-CD1 4.31Å; L507-L511 WeakPolarHBondContact O-CG 3.36Å; L507-L511 PolarHBondContact O-N 3.48Å; M508-L511 PolarHBondContact O-N 2.97Å; L511-L514 PolarHBondContact O-N 3.16Å; L511-Y515 PolarHBondContact O-N 2.9Å
512A85.1Confident81.2Confident11 Ų1144 Ų449%0.09124%0.237CC..Hα-helixtrans-63.5-38.9171.400000112.4P483 M508 Y509 Y515 W516 C528P483-A512 HydrophobicContact CB-CB 3.76Å; P483-A512 HydrophobicContact CG-CB 4.13Å; M508-A512 WeakPolarHBondContact O-CB 3.44Å; M508-A512 PolarHBondContact O-N 2.85Å; Y509-A512 PolarHBondContact O-N 3.26Å; A512-Y515 WeakPolarHBondContact O-CB 3.27Å; A512-Y515 PolarHBondContact O-N 2.96Å; A512-W516 PolarHBondContact O-N 2.82Å; A512-C528 HydrophobicContact CB-CB 4.24Å
513A85.8Confident82.4Confident0 Ų045.7 Ų45.70%025%0.25CC..Hα-helixtrans-61.4-45.3173.100000111.9Y509 N510 Y515 W516 R517 C528 L529Y509-A513 WeakPolarHBondContact O-CB 3.19Å; Y509-A513 PolarHBondContact O-N 3.45Å; N510-A513 WeakPolarHBondContact O-CB 3.48Å; N510-A513 PolarHBondContact O-N 2.84Å; A513-Y515 VanDerWaalsContact C-N 3.35Å; A513-Y515 PolarHBondContact O-N 3.36Å; A513-W516 PolarHBondContact O-N 3.04Å; A513-R517 WeakPolarHBondContact O-CB 3.4Å; A513-R517 PolarHBondContact O-N 3.37Å; A513-C528 HydrophobicContact CB-CB 3.83Å; A513-L529 HydrophobicContact CB-CD1 4.37Å; A513-L529 HydrophobicContact CB-CD2 3.43Å; A513-L529 VanDerWaalsContact CB-CD2 3.43Å; A513-L529 HydrophobicContact CB-CG 3.54Å
514L84.6Confident83.2Confident37 Ų3747.6 Ų47.619%0.19425%0.254CS..Hα-helixtrans-61.6-43.1177.3-177.163.8000111.4F450 N510 L511 R517 L518F450-L514 HydrophobicContact CB-CD1 4.42Å; F450-L514 HydrophobicContact CD1-CD2 3.91Å; F450-L514 HydrophobicContact CD2-CD1 4.22Å; F450-L514 HydrophobicContact CD2-CD2 4.18Å; F450-L514 HydrophobicContact CE1-CD2 3.79Å; F450-L514 HydrophobicContact CE2-CD2 4.08Å; F450-L514 HydrophobicContact CG-CD1 4.2Å; F450-L514 HydrophobicContact CG-CD2 4.1Å; F450-L514 HydrophobicContact CZ-CD2 3.87Å; N510-L514 PolarHBondContact O-N 2.91Å; L511-L514 PolarHBondContact O-N 3.16Å; L514-R517 PolarHBondContact O-N 3.33Å; L514-L518 HydrophobicContact CG-CD1 4.48Å; L514-L518 WeakPolarHBondContact O-CG 3.05Å; L514-L518 PolarHBondContact O-N 3.42Å
515Y83.3Confident83.6Confident66 Ų6646.9 Ų46.926%0.25925%0.25SS..Hα-helixtrans-52.8-56.2172.1172.3-80.7000110.8P483 L511 A512 A513 R517 L518 F519P483-Y515 VanDerWaalsContact CD-CE1 3.43Å; P483-Y515 HydrophobicContact CG-CD1 3.46Å; P483-Y515 VanDerWaalsContact CG-CD1 3.46Å; P483-Y515 HydrophobicContact CG-CD2 4.44Å; P483-Y515 HydrophobicContact CG-CE1 3.9Å; P483-Y515 HydrophobicContact CG-CG 3.81Å; L511-Y515 PolarHBondContact O-N 2.9Å; A512-Y515 WeakPolarHBondContact O-CB 3.27Å; A512-Y515 PolarHBondContact O-N 2.96Å; A513-Y515 VanDerWaalsContact C-N 3.35Å; A513-Y515 PolarHBondContact O-N 3.36Å; Y515-R517 VanDerWaalsContact C-N 3.31Å; Y515-R517 PolarHBondContact O-N 3.15Å; Y515-L518 WeakPolarHBondContact O-CB 3.49Å; Y515-L518 PolarHBondContact O-N 2.04Å; Y515-L518 VanDerWaalsContact O-N 3.13Å; Y515-F519 HydrophobicContact CD1-CD2 4.01Å; Y515-F519 HydrophobicContact CD1-CE2 4.32Å; Y515-F519 HydrophobicContact CD2-CD2 4.36Å; Y515-F519 AromaticContact CD2-CE2 3.97Å; Y515-F519 HydrophobicContact CD2-CE2 3.97Å; Y515-F519 AromaticContact CE1-CD2 3.66Å; Y515-F519 HydrophobicContact CE1-CD2 3.66Å; Y515-F519 AromaticContact CE1-CE2 3.77Å; Y515-F519 HydrophobicContact CE1-CE2 3.77Å; Y515-F519 HydrophobicContact CE2-CD2 4.09Å; Y515-F519 AromaticContact CE2-CE2 3.42Å; Y515-F519 HydrophobicContact CE2-CE2 3.42Å; Y515-F519 VanDerWaalsContact CE2-CE2 3.42Å; Y515-F519 HydrophobicContact CE2-CZ 4.32Å; Y515-F519 HydrophobicContact CG-CD2 4.31Å; Y515-F519 HydrophobicContact CG-CE2 4.38Å; Y515-F519 AromaticContact CZ-CD2 3.7Å; Y515-F519 AromaticContact CZ-CE2 3.28Å; Y515-F519 WeakPolarHBondContact O-CD2 3.34Å; Y515-F519 PolarHBondContact O-N 3.32Å; Y515-F519 WeakPolarHBondContact OH-CE2 3.48Å
516W85.1Confident83.9Confident13 Ų1348.1 Ų48.15%0.04926%0.257CS..Hα-helixtrans-66-33.1-177.8-70.4118.8000113.1Q482 P483 A512 A513 F519 G520 R521 E524 A525Q482-W516 HydrophobicContact CB-CH2 3.66Å; Q482-W516 HydrophobicContact CB-CZ2 3.84Å; Q482-W516 HydrophobicContact CG-CH2 4.2Å; P483-W516 WeakPolarHBondContact O-CZ2 3.47Å; P483-W516 PolarHBondContact O-NE1 2.87Å; A512-W516 PolarHBondContact O-N 2.82Å; A513-W516 PolarHBondContact O-N 3.04Å; W516-F519 CarbonylContact O-C 3.58Å; W516-F519 PolarHBondContact O-N 3.42Å; W516-G520 PolarHBondContact O-N 3.44Å; W516-R521 HydrophobicContact CB-CB 4.19Å; W516-R521 HydrophobicContact CD2-CB 4.36Å; W516-R521 HydrophobicContact CE3-CB 3.66Å; W516-R521 HydrophobicContact CE3-CG 3.83Å; W516-R521 HydrophobicContact CZ3-CB 4.39Å; W516-R521 HydrophobicContact CZ3-CG 4.15Å; W516-R521 PolarHBondContact O-N 3.25Å; W516-E524 HydrophobicContact CB-CB 4.12Å; W516-E524 HydrophobicContact CD2-CB 3.5Å; W516-E524 VanDerWaalsContact CD2-CB 3.5Å; W516-E524 HydrophobicContact CD2-CG 4.2Å; W516-E524 HydrophobicContact CE3-CB 4.06Å; W516-E524 HydrophobicContact CE3-CG 4.39Å; W516-E524 HydrophobicContact CG-CB 3.55Å; W516-E524 HydrophobicContact CH2-CG 4.39Å; W516-E524 HydrophobicContact CZ2-CB 4.25Å; W516-E524 HydrophobicContact CZ2-CG 4.25Å; W516-E524 HydrophobicContact CZ3-CG 4.49Å; W516-A525 HydrophobicContact CB-CB 3.75Å
517R83.7Confident84Confident28 Ų2850.1 Ų50.111%0.10627%0.271CS..Hα-helixtrans-62.5-39.5172.5177.3176.5158-165.5-9.4112T449 A513 L514 Y515 F519 G520 A525 L552T449-R517 PolarHBondContact O-NH1 3.16Å; T449-R517 PolarHBondContact O-NH2 3.07Å; A513-R517 WeakPolarHBondContact O-CB 3.4Å; A513-R517 PolarHBondContact O-N 3.37Å; L514-R517 PolarHBondContact O-N 3.33Å; Y515-R517 VanDerWaalsContact C-N 3.31Å; Y515-R517 PolarHBondContact O-N 3.15Å; R517-F519 VanDerWaalsContact C-N 3.32Å; R517-F519 PolarHBondContact O-N 3.2Å; R517-G520 PolarHBondContact O-N 3.45Å; R517-A525 HydrophobicContact CB-CB 4.47Å; R517-L552 HydrophobicContact CG-CD2 4.22Å
518L76.3Confident84.1Confident117 Ų11750 Ų5061%0.61327%0.271SS*.Hα-helixtrans-65.1-34.3174.1-70.2168.2000112.5L514 Y515 G520L514-L518 HydrophobicContact CG-CD1 4.48Å; L514-L518 WeakPolarHBondContact O-CG 3.05Å; L514-L518 PolarHBondContact O-N 3.42Å; Y515-L518 WeakPolarHBondContact O-CB 3.49Å; Y515-L518 PolarHBondContact O-N 2.04Å; Y515-L518 VanDerWaalsContact O-N 3.13Å; L518-G520 VanDerWaalsContact C-N 3.28Å; L518-G520 PolarHBondContact O-N 2.95Å
519F78.9Confident84.4Confident70 Ų7047 Ų4731%0.30726%0.256SS..THydrogen-bonded Turntrans-82.56.4174.8-79.4-79.8000114.6L408 Y515 W516 R517 R521L408-F519 HydrophobicContact CB-CE1 3.81Å; L408-F519 HydrophobicContact CB-CE2 4.5Å; L408-F519 HydrophobicContact CB-CZ 3.5Å; L408-F519 VanDerWaalsContact CB-CZ 3.5Å; L408-F519 HydrophobicContact CD1-CE2 3.96Å; L408-F519 HydrophobicContact CD1-CZ 3.68Å; L408-F519 HydrophobicContact CD2-CZ 4.14Å; L408-F519 HydrophobicContact CG-CZ 3.95Å; Y515-F519 HydrophobicContact CD1-CD2 4.01Å; Y515-F519 HydrophobicContact CD1-CE2 4.32Å; Y515-F519 HydrophobicContact CD2-CD2 4.36Å; Y515-F519 AromaticContact CD2-CE2 3.97Å; Y515-F519 HydrophobicContact CD2-CE2 3.97Å; Y515-F519 AromaticContact CE1-CD2 3.66Å; Y515-F519 HydrophobicContact CE1-CD2 3.66Å; Y515-F519 AromaticContact CE1-CE2 3.77Å; Y515-F519 HydrophobicContact CE1-CE2 3.77Å; Y515-F519 HydrophobicContact CE2-CD2 4.09Å; Y515-F519 AromaticContact CE2-CE2 3.42Å; Y515-F519 HydrophobicContact CE2-CE2 3.42Å; Y515-F519 VanDerWaalsContact CE2-CE2 3.42Å; Y515-F519 HydrophobicContact CE2-CZ 4.32Å; Y515-F519 HydrophobicContact CG-CD2 4.31Å; Y515-F519 HydrophobicContact CG-CE2 4.38Å; Y515-F519 AromaticContact CZ-CD2 3.7Å; Y515-F519 AromaticContact CZ-CE2 3.28Å; Y515-F519 WeakPolarHBondContact O-CD2 3.34Å; Y515-F519 PolarHBondContact O-N 3.32Å; Y515-F519 WeakPolarHBondContact OH-CE2 3.48Å; W516-F519 CarbonylContact O-C 3.58Å; W516-F519 PolarHBondContact O-N 3.42Å; R517-F519 VanDerWaalsContact C-N 3.32Å; R517-F519 PolarHBondContact O-N 3.2Å; F519-R521 HydrophobicContact CB-CG 4.2Å; F519-R521 PolarHBondContact O-N 3.21Å
520G79.9Confident84.5Confident64 Ų6447 Ų4766%0.6626%0.264SS*.THydrogen-bonded Turntrans67.89.4-177.200000114.8W516 R517 L518 S522W516-G520 PolarHBondContact O-N 3.44Å; R517-G520 PolarHBondContact O-N 3.45Å; L518-G520 VanDerWaalsContact C-N 3.28Å; L518-G520 PolarHBondContact O-N 2.95Å; G520-S522 PolarHBondContact O-N 3.17Å; G520-S522 VanDerWaalsContact O-N 3.15Å
521R84.2Confident84.5Confident111 Ų11148 Ų4842%0.41927%0.269SS..  trans-87.976.6-177.1-68.2-128.3-169.9174.72111.1W516 F519 V523 E524 A525W516-R521 HydrophobicContact CB-CB 4.19Å; W516-R521 HydrophobicContact CD2-CB 4.36Å; W516-R521 HydrophobicContact CE3-CB 3.66Å; W516-R521 HydrophobicContact CE3-CG 3.83Å; W516-R521 HydrophobicContact CZ3-CB 4.39Å; W516-R521 HydrophobicContact CZ3-CG 4.15Å; W516-R521 PolarHBondContact O-N 3.25Å; F519-R521 HydrophobicContact CB-CG 4.2Å; F519-R521 PolarHBondContact O-N 3.21Å; R521-V523 VanDerWaalsContact C-N 3.33Å; R521-V523 PolarHBondContact O-N 2.94Å; R521-E524 HydrophobicContact CB-CB 4.44Å; R521-E524 VanDerWaalsContact CD-CD 3.49Å; R521-E524 WeakPolarHBondContact CD-OE1 3.49Å; R521-E524 IonicContact CZ-OE1 2.84Å; R521-E524 IonicContact NE-OE1 3.84Å; R521-E524 IonicContact NH1-OE1 2.76Å; R521-E524 PolarHBondContact NH1-OE1 3.38Å; R521-A525 WeakPolarHBondContact O-CB 3.22Å; R521-A525 PolarHBondContact O-N 3.23Å
522S81.8Confident84.6Confident61 Ų6144.9 Ų44.943%0.42725%0.253SS..Hα-helixtrans-61.4-35.4-174.655.80000114.1G520 A525 V526G520-S522 PolarHBondContact O-N 3.17Å; G520-S522 VanDerWaalsContact O-N 3.15Å; S522-A525 PolarHBondContact O-N 3.22Å; S522-V526 WeakPolarHBondContact O-CB 3.05Å; S522-V526 VanDerWaalsContact O-CG2 3.29Å; S522-V526 WeakPolarHBondContact O-CG2 3.44Å; S522-V526 PolarHBondContact O-N 3.37Å
523V82.7Confident84.8Confident102 Ų10246.6 Ų46.662%0.61826%0.261SS*.Hα-helixtrans-69.4-46.9-177.5179.40000111.5R521 V526 S527R521-V523 VanDerWaalsContact C-N 3.33Å; R521-V523 PolarHBondContact O-N 2.94Å; V523-V526 PolarHBondContact O-N 2.72Å; V523-S527 WeakPolarHBondContact O-CB 3.37Å; V523-S527 PolarHBondContact O-N 2.98Å; V523-S527 PolarHBondContact O-OG 3.16Å
524E84.8Confident84.8Confident56 Ų5653.4 Ų53.426%0.26229%0.293SS..Hα-helixtrans-64.7-40.6174.3-64.394.1138.100111.4W516 R521 S527 C528W516-E524 HydrophobicContact CB-CB 4.12Å; W516-E524 HydrophobicContact CD2-CB 3.5Å; W516-E524 VanDerWaalsContact CD2-CB 3.5Å; W516-E524 HydrophobicContact CD2-CG 4.2Å; W516-E524 HydrophobicContact CE3-CB 4.06Å; W516-E524 HydrophobicContact CE3-CG 4.39Å; W516-E524 HydrophobicContact CG-CB 3.55Å; W516-E524 HydrophobicContact CH2-CG 4.39Å; W516-E524 HydrophobicContact CZ2-CB 4.25Å; W516-E524 HydrophobicContact CZ2-CG 4.25Å; W516-E524 HydrophobicContact CZ3-CG 4.49Å; R521-E524 HydrophobicContact CB-CB 4.44Å; R521-E524 VanDerWaalsContact CD-CD 3.49Å; R521-E524 WeakPolarHBondContact CD-OE1 3.49Å; R521-E524 IonicContact CZ-OE1 2.84Å; R521-E524 IonicContact NE-OE1 3.84Å; R521-E524 IonicContact NH1-OE1 2.76Å; R521-E524 PolarHBondContact NH1-OE1 3.38Å; E524-S527 WeakPolarHBondContact O-CB 3.44Å; E524-S527 PolarHBondContact O-N 2.95Å; E524-C528 PolarHBondContact O-N 3.38Å; E524-C528 PolarHBondContact O-SG 3.04Å
525A85.7Confident84.7Confident0 Ų052.9 Ų52.90%029%0.29CS..Hα-helixtrans-59.2-49.6174.800000112.3W516 R517 R521 S522 S527 C528 L529 L552W516-A525 HydrophobicContact CB-CB 3.75Å; R517-A525 HydrophobicContact CB-CB 4.47Å; R521-A525 WeakPolarHBondContact O-CB 3.22Å; R521-A525 PolarHBondContact O-N 3.23Å; S522-A525 PolarHBondContact O-N 3.22Å; A525-S527 VanDerWaalsContact C-N 3.27Å; A525-S527 PolarHBondContact O-N 2.85Å; A525-C528 WeakPolarHBondContact O-CB 3.29Å; A525-C528 PolarHBondContact O-N 3.31Å; A525-L529 WeakPolarHBondContact O-CG 3.37Å; A525-L529 PolarHBondContact O-N 2.9Å; A525-L552 HydrophobicContact CB-CD1 3.82Å
526V87.4Confident84.7Confident68 Ų6857.9 Ų57.941%0.41231%0.313SS..Hα-helixtrans-60.3-38175.71690000111.2S522 V523 C528 L529 C530 L552S522-V526 WeakPolarHBondContact O-CB 3.05Å; S522-V526 VanDerWaalsContact O-CG2 3.29Å; S522-V526 WeakPolarHBondContact O-CG2 3.44Å; S522-V526 PolarHBondContact O-N 3.37Å; V523-V526 PolarHBondContact O-N 2.72Å; V526-C528 PolarHBondContact O-N 3.12Å; V526-L529 PolarHBondContact O-N 2.54Å; V526-C530 WeakPolarHBondContact O-CB 3.43Å; V526-C530 PolarHBondContact O-N 2.87Å; V526-C530 PolarHBondContact O-SG 2.78Å; V526-C530 VanDerWaalsContact O-SG 3.35Å; V526-L552 HydrophobicContact CG2-CD1 4.04Å
527S86.7Confident84.3Confident48 Ų4861.8 Ų61.834%0.33633%0.332SS..Hα-helixtrans-62-41.9176.9-57.20000111.9V523 E524 A525 L531V523-S527 WeakPolarHBondContact O-CB 3.37Å; V523-S527 PolarHBondContact O-N 2.98Å; V523-S527 PolarHBondContact O-OG 3.16Å; E524-S527 WeakPolarHBondContact O-CB 3.44Å; E524-S527 PolarHBondContact O-N 2.95Å; A525-S527 VanDerWaalsContact C-N 3.27Å; A525-S527 PolarHBondContact O-N 2.85Å; S527-L531 PolarHBondContact O-N 2.81Å
528C87.6Confident84.2Confident0 Ų060.6 Ų60.60%033%0.328CS..Hα-helixtrans-64.9-45.5172.7-52.70000112.1C485 Y509 A512 A513 E524 A525 V526 C530 L531 A532C485-C528 HydrophobicContact CB-CB 3.83Å; C485-C528 WeakPolarHBondContact CB-SG 3.39Å; C485-C528 VanDerWaalsContact SG-CA 3.53Å; C485-C528 WeakPolarHBondContact SG-CB 3.47Å; C485-C528 CovalentContact SG-SG 2.02Å; C485-C528 PolarHBondContact SG-SG 2.94Å; Y509-C528 WeakPolarHBondContact O-CB 3.39Å; A512-C528 HydrophobicContact CB-CB 4.24Å; A513-C528 HydrophobicContact CB-CB 3.83Å; E524-C528 PolarHBondContact O-N 3.38Å; E524-C528 PolarHBondContact O-SG 3.04Å; A525-C528 WeakPolarHBondContact O-CB 3.29Å; A525-C528 PolarHBondContact O-N 3.31Å; V526-C528 PolarHBondContact O-N 3.12Å; C528-C530 VanDerWaalsContact C-N 3.31Å; C528-C530 PolarHBondContact O-N 3.19Å; C528-L531 PolarHBondContact O-N 3.41Å; C528-A532 PolarHBondContact O-N 3.28Å
529L89.9Confident84.6Confident4 Ų458.9 Ų58.92%0.02132%0.319CS..Hα-helixtrans-61.4-38.6179.2-66.5171.6000112.1A513 A525 V526 L531 A532 L533 A545 Q548 A549 L552A513-L529 HydrophobicContact CB-CD1 4.37Å; A513-L529 HydrophobicContact CB-CD2 3.43Å; A513-L529 VanDerWaalsContact CB-CD2 3.43Å; A513-L529 HydrophobicContact CB-CG 3.54Å; A525-L529 WeakPolarHBondContact O-CG 3.37Å; A525-L529 PolarHBondContact O-N 2.9Å; V526-L529 PolarHBondContact O-N 2.54Å; L529-L531 VanDerWaalsContact C-N 3.3Å; L529-L531 PolarHBondContact O-N 2.99Å; L529-A532 WeakPolarHBondContact O-CB 3.24Å; L529-A532 PolarHBondContact O-N 3.47Å; L529-L533 WeakPolarHBondContact O-CB 3.19Å; L529-L533 VanDerWaalsContact O-CG 3.27Å; L529-L533 WeakPolarHBondContact O-CG 3.27Å; L529-L533 PolarHBondContact O-N 3.15Å; L529-A545 HydrophobicContact CD2-CB 4.02Å; L529-Q548 HydrophobicContact CD1-CB 3.86Å; L529-Q548 HydrophobicContact CD2-CB 3.76Å; L529-Q548 HydrophobicContact CD2-CG 4.45Å; L529-Q548 HydrophobicContact CG-CB 4.48Å; L529-A549 HydrophobicContact CD1-CB 4.05Å; L529-L552 HydrophobicContact CD1-CD1 3.66Å
530C89.1Confident85Confident58 Ų5861.2 Ų61.239%0.39233%0.334SS..Hα-helixtrans-58.9-39.9173-77.10000112.5V526 C528 Q534V526-C530 WeakPolarHBondContact O-CB 3.43Å; V526-C530 PolarHBondContact O-N 2.87Å; V526-C530 PolarHBondContact O-SG 2.78Å; V526-C530 VanDerWaalsContact O-SG 3.35Å; C528-C530 VanDerWaalsContact C-N 3.31Å; C528-C530 PolarHBondContact O-N 3.19Å; C530-Q534 WeakPolarHBondContact O-CG 3.03Å; C530-Q534 PolarHBondContact O-N 3.27Å
531L87.2Confident85.4Confident25 Ų2560.7 Ų60.713%0.13131%0.313CS..Hα-helixtrans-71.4-37.7175.2-65.2173.3000111.8C485 Y509 S527 C528 L529 L533 Q534 D535C485-L531 HydrophobicContact CB-CD1 4.28Å; C485-L531 WeakPolarHBondContact O-CD1 3.25Å; Y509-L531 HydrophobicContact CD1-CB 3.86Å; Y509-L531 HydrophobicContact CD1-CD1 3.98Å; Y509-L531 HydrophobicContact CD2-CB 3.66Å; Y509-L531 HydrophobicContact CE1-CB 3.94Å; Y509-L531 HydrophobicContact CE1-CD1 3.51Å; Y509-L531 HydrophobicContact CE1-CG 4.35Å; Y509-L531 HydrophobicContact CE2-CB 3.74Å; Y509-L531 HydrophobicContact CG-CB 3.74Å; S527-L531 PolarHBondContact O-N 2.81Å; C528-L531 PolarHBondContact O-N 3.41Å; L529-L531 VanDerWaalsContact C-N 3.3Å; L529-L531 PolarHBondContact O-N 2.99Å; L531-L533 PolarHBondContact O-N 3.23Å; L531-Q534 PolarHBondContact O-N 3.14Å; L531-D535 PolarHBondContact O-N 2.89Å
532A87.3Confident85.7Confident3 Ų358.1 Ų58.13%0.02530%0.304CS..Hα-helixtrans-61.8-41.9174.400000112.7C528 L529 Q534 D535 A545C528-A532 PolarHBondContact O-N 3.28Å; L529-A532 WeakPolarHBondContact O-CB 3.24Å; L529-A532 PolarHBondContact O-N 3.47Å; A532-Q534 VanDerWaalsContact C-N 3.29Å; A532-Q534 PolarHBondContact O-N 2.85Å; A532-D535 PolarHBondContact O-N 2.78Å; A532-A545 HydrophobicContact CB-CB 4.28Å
533L89.1Confident86.2Confident47 Ų4755.2 Ų55.225%0.24628%0.284CS..Hα-helixtrans-73.5-17.1179-69.2169.4000113.8L529 L531 K542 A545 L546L529-L533 WeakPolarHBondContact O-CB 3.19Å; L529-L533 VanDerWaalsContact O-CG 3.27Å; L529-L533 WeakPolarHBondContact O-CG 3.27Å; L529-L533 PolarHBondContact O-N 3.15Å; L531-L533 PolarHBondContact O-N 3.23Å; L533-K542 HydrophobicContact CD2-CB 4.16Å; L533-K542 HydrophobicContact CD2-CG 4.09Å; L533-K542 WeakPolarHBondContact O-CE 3.23Å; L533-K542 PolarHBondContact O-NZ 2.79Å; L533-A545 HydrophobicContact CD2-CB 3.67Å; L533-A545 HydrophobicContact CG-CB 3.86Å; L533-L546 HydrophobicContact CD1-CD2 4.32Å; L533-L546 HydrophobicContact CD2-CD2 4.1Å; L533-L546 HydrophobicContact CD2-CG 3.94Å
534Q86.1Confident86.5Confident143 Ų14350.3 Ų50.367%0.66825%0.254SS*.Hα-helixtrans-89.7-17.5177.2-76.1172.322.700113.5C530 L531 A532C530-Q534 WeakPolarHBondContact O-CG 3.03Å; C530-Q534 PolarHBondContact O-N 3.27Å; L531-Q534 PolarHBondContact O-N 3.14Å; A532-Q534 VanDerWaalsContact C-N 3.29Å; A532-Q534 PolarHBondContact O-N 2.85Å
535D83.1Confident86.8Confident26 Ų2647.7 Ų47.714%0.13924%0.242CC..  trans-77.6126.8-179.4-179.528.8000111.9P505 W506 L531 A532 E537 G538P505-D535 HydrophobicContact CB-CB 4.46Å; P505-D535 WeakPolarHBondContact CD-OD2 3.39Å; W506-D535 HydrophobicContact CB-CB 4Å; W506-D535 WeakPolarHBondContact CB-OD2 3.27Å; W506-D535 PolarHBondContact N-OD2 3.46Å; L531-D535 PolarHBondContact O-N 2.89Å; A532-D535 PolarHBondContact O-N 2.78Å; D535-E537 PolarHBondContact OD1-N 3.08Å; D535-G538 PolarHBondContact O-N 3.17Å
536K81.4Confident87.2Confident171 Ų17148.7 Ų48.774%0.74325%0.248SC*.G310 helixtrans-73.9-28.5-177.4-64.9-176.8177.9-177.50112.6G538 D539K536-G538 PolarHBondContact O-N 3.09Å; K536-D539 PolarHBondContact O-N 3.09Å
537E77.3Confident87.4Confident96 Ų9645.6 Ų45.645%0.44923%0.229SC..G310 helixtrans-68.1-14.3175.5-66.4173.5-155.900111.4R501 W506 D535R501-E537 IonicContact CZ-OE1 3.84Å; R501-E537 IonicContact NH1-OE1 3.79Å; R501-E537 PolarHBondContact NH1-OE1 3.37Å; R501-E537 IonicContact NH1-OE2 3.04Å; R501-E537 PolarHBondContact NH1-OE2 3.2Å; R501-E537 IonicContact NH2-OE1 2.76Å; W506-E537 VanDerWaalsContact CD1-C 3.46Å; W506-E537 PolarHBondContact NE1-O 2.98Å; D535-E537 PolarHBondContact OD1-N 3.08Å
538G81.2Confident87.6Confident2 Ų243.4 Ų43.42%0.02121%0.213CC..G310 helixtrans-103.96.7178.300000116W506 D535 K536 I540 Y541 K542W506-G538 VanDerWaalsContact CD1-N 3.29Å; D535-G538 PolarHBondContact O-N 3.17Å; K536-G538 PolarHBondContact O-N 3.09Å; G538-I540 PolarHBondContact O-N 3.37Å; G538-I540 VanDerWaalsContact O-N 3.11Å; G538-Y541 CarbonylContact O-C 3.52Å; G538-Y541 PolarHBondContact O-N 3.38Å; G538-K542 PolarHBondContact O-N 3.34Å
539D85.3Confident87.8Confident81 Ų8144 Ų4443%0.43322%0.218SC..G310 helixtrans-54-35.8-173-89.4-25.6000113.6K536 K542K536-D539 PolarHBondContact O-N 3.09Å; D539-K542 WeakPolarHBondContact OD1-CE 3.43Å; D539-K542 IonicContact OD1-NZ 2.71Å; D539-K542 PolarHBondContact OD1-NZ 3.26Å
540I86.7Confident88Confident120 Ų12043.9 Ų43.962%0.61522%0.217SC*.G310 helixtrans-81.5-7.9178.562172.4000114.7G538G538-I540 PolarHBondContact O-N 3.37Å; G538-I540 VanDerWaalsContact O-N 3.11Å
541Y88.6Confident88Confident53 Ų5341.1 Ų41.121%0.20820%0.199CC..G310 helixtrans-116.915.4-178.5-54.4-64.5000112.2K456 V458 W506 G538 D543 I544K456-Y541 HydrophobicContact CB-CD1 4.05Å; K456-Y541 HydrophobicContact CB-CE1 3.88Å; K456-Y541 HydrophobicContact CD-CD1 3.94Å; V458-Y541 HydrophobicContact CG2-CD1 4.36Å; V458-Y541 HydrophobicContact CG2-CE1 3.66Å; V458-Y541 HydrophobicContact CG2-CE2 4.04Å; V458-Y541 VanDerWaalsContact CG2-CZ 3.46Å; V458-Y541 WeakPolarHBondContact CG2-OH 3.37Å; W506-Y541 HydrophobicContact CD2-CD2 4.11Å; W506-Y541 AromaticContact CE2-CD2 3.48Å; W506-Y541 VanDerWaalsContact CE2-CD2 3.48Å; W506-Y541 HydrophobicContact CE3-CD2 4.35Å; W506-Y541 HydrophobicContact CE3-CG 4.42Å; W506-Y541 HydrophobicContact CH2-CD1 4.27Å; W506-Y541 AromaticContact CH2-CD2 3.5Å; W506-Y541 HydrophobicContact CH2-CD2 3.5Å; W506-Y541 VanDerWaalsContact CH2-CD2 3.5Å; W506-Y541 HydrophobicContact CH2-CE2 4.06Å; W506-Y541 AromaticContact CH2-CG 3.61Å; W506-Y541 HydrophobicContact CH2-CG 3.61Å; W506-Y541 AromaticContact CZ2-CD2 3.15Å; W506-Y541 HydrophobicContact CZ2-CD2 3.15Å; W506-Y541 AromaticContact CZ2-CE2 3.49Å; W506-Y541 HydrophobicContact CZ2-CE2 3.49Å; W506-Y541 VanDerWaalsContact CZ2-CE2 3.49Å; W506-Y541 AromaticContact CZ2-CG 3.8Å; W506-Y541 HydrophobicContact CZ2-CG 3.8Å; W506-Y541 HydrophobicContact CZ3-CD2 4.08Å; W506-Y541 AromaticContact CZ3-CG 3.94Å; W506-Y541 HydrophobicContact CZ3-CG 3.94Å; G538-Y541 CarbonylContact O-C 3.52Å; G538-Y541 PolarHBondContact O-N 3.38Å; Y541-D543 PolarHBondContact O-N 2.8Å; Y541-I544 WeakPolarHBondContact O-CB 3.31Å; Y541-I544 PolarHBondContact O-N 3.41Å
542K91.2Very high88.2Confident56 Ų5640.7 Ų40.724%0.24320%0.197CC..Hα-helixtrans-62-28.6-176.8-82.5179.6162.21720113.5L533 G538 D539 I544 A545 L546 V572L533-K542 HydrophobicContact CD2-CB 4.16Å; L533-K542 HydrophobicContact CD2-CG 4.09Å; L533-K542 WeakPolarHBondContact O-CE 3.23Å; L533-K542 PolarHBondContact O-NZ 2.79Å; G538-K542 PolarHBondContact O-N 3.34Å; D539-K542 WeakPolarHBondContact OD1-CE 3.43Å; D539-K542 IonicContact OD1-NZ 2.71Å; D539-K542 PolarHBondContact OD1-NZ 3.26Å; K542-I544 VanDerWaalsContact C-N 3.28Å; K542-I544 PolarHBondContact O-N 3.22Å; K542-A545 PolarHBondContact O-N 3.36Å; K542-L546 HydrophobicContact CB-CD1 4.39Å; K542-L546 WeakPolarHBondContact O-CB 3.43Å; K542-L546 VanDerWaalsContact O-CG 3.25Å; K542-L546 WeakPolarHBondContact O-CG 2.99Å; K542-L546 PolarHBondContact O-N 2.73Å; K542-V572 HydrophobicContact CB-CG1 4.25Å; K542-V572 HydrophobicContact CB-CG2 4.08Å
543D91.4Very high88.3Confident0 Ų041.1 Ų41.10%020%0.2CC..Hα-helixtrans-60.9-34.1177.470.8-65.7000112.8I451 K456 Y541 A545 L546 N547 A569 V572I451-D543 VanDerWaalsContact CD1-OD2 3.25Å; I451-D543 WeakPolarHBondContact CD1-OD2 3.38Å; K456-D543 WeakPolarHBondContact CE-OD2 3.38Å; K456-D543 IonicContact NZ-OD1 3.27Å; K456-D543 PolarHBondContact NZ-OD1 3.28Å; K456-D543 IonicContact NZ-OD2 2.74Å; K456-D543 PolarHBondContact NZ-OD2 2.89Å; Y541-D543 PolarHBondContact O-N 2.8Å; D543-A545 VanDerWaalsContact C-N 3.33Å; D543-A545 PolarHBondContact O-N 3.08Å; D543-L546 PolarHBondContact O-N 3.4Å; D543-N547 WeakPolarHBondContact O-CB 3.26Å; D543-N547 PolarHBondContact O-N 3.26Å; D543-A569 HydrophobicContact CB-CB 3.88Å; D543-V572 HydrophobicContact CB-CB 4.06Å; D543-V572 HydrophobicContact CB-CG1 4.09Å
544I90.2Very high88.4Confident0 Ų040.3 Ų40.30%019%0.194CC..Hα-helixtrans-56.9-49.4173.7-56.4-174.9000110.1F450 I451 P453 K456 W506 Y541 K542 Q548F450-I544 HydrophobicContact CE2-CG2 4.2Å; I451-I544 HydrophobicContact CB-CG1 4.06Å; I451-I544 HydrophobicContact CB-CG2 4.44Å; I451-I544 HydrophobicContact CD1-CG1 4.36Å; I451-I544 HydrophobicContact CG2-CD1 4.29Å; I451-I544 HydrophobicContact CG2-CG1 3.92Å; P453-I544 HydrophobicContact CB-CD1 4.41Å; P453-I544 HydrophobicContact CG-CD1 4.32Å; K456-I544 HydrophobicContact CD-CD1 4.09Å; K456-I544 HydrophobicContact CD-CG1 4.24Å; K456-I544 HydrophobicContact CG-CD1 4.43Å; W506-I544 HydrophobicContact CZ3-CD1 4.24Å; Y541-I544 WeakPolarHBondContact O-CB 3.31Å; Y541-I544 PolarHBondContact O-N 3.41Å; K542-I544 VanDerWaalsContact C-N 3.28Å; K542-I544 PolarHBondContact O-N 3.22Å; I544-Q548 PolarHBondContact O-N 2.95Å
545A91Very high88.4Confident1 Ų137.8 Ų37.81%0.00819%0.185CC..Hα-helixtrans-70.6-38.3179.500000112.1N510 L529 A532 L533 K542 D543 Q548 A549N510-A545 WeakPolarHBondContact OD1-CA 3.44Å; N510-A545 WeakPolarHBondContact OD1-CB 3.34Å; N510-A545 PolarHBondContact OD1-N 2.92Å; L529-A545 HydrophobicContact CD2-CB 4.02Å; A532-A545 HydrophobicContact CB-CB 4.28Å; L533-A545 HydrophobicContact CD2-CB 3.67Å; L533-A545 HydrophobicContact CG-CB 3.86Å; K542-A545 PolarHBondContact O-N 3.36Å; D543-A545 VanDerWaalsContact C-N 3.33Å; D543-A545 PolarHBondContact O-N 3.08Å; A545-Q548 PolarHBondContact O-N 3.12Å; A545-A549 WeakPolarHBondContact O-CB 3.48Å; A545-A549 PolarHBondContact O-N 3Å
546L94.1Very high88.6Confident21 Ų2139.7 Ų39.711%0.1120%0.204CC..Hα-helixtrans-66.5-37.9178-70.4167.6000112.4L533 K542 D543 A549 S550 L565 A568 A569 V572L533-L546 HydrophobicContact CD1-CD2 4.32Å; L533-L546 HydrophobicContact CD2-CD2 4.1Å; L533-L546 HydrophobicContact CD2-CG 3.94Å; K542-L546 HydrophobicContact CB-CD1 4.39Å; K542-L546 WeakPolarHBondContact O-CB 3.43Å; K542-L546 VanDerWaalsContact O-CG 3.25Å; K542-L546 WeakPolarHBondContact O-CG 2.99Å; K542-L546 PolarHBondContact O-N 2.73Å; D543-L546 PolarHBondContact O-N 3.4Å; L546-A549 PolarHBondContact O-N 3.05Å; L546-S550 WeakPolarHBondContact O-CB 3.42Å; L546-S550 PolarHBondContact O-N 3.26Å; L546-L565 HydrophobicContact CD2-CD2 3.81Å; L546-A568 HydrophobicContact CD1-CB 3.93Å; L546-A568 HydrophobicContact CD2-CB 4.39Å; L546-A569 HydrophobicContact CB-CB 3.89Å; L546-V572 HydrophobicContact CD1-CG2 4.44Å
547N91.8Very high88.9Confident3 Ų334.3 Ų34.32%0.01620%0.197CC..Hα-helixtrans-69.1-40.5173.9-87.5-7000112.3I451 D543 A549 S550 V551 A569 T579 L582I451-N547 HydrophobicContact CD1-CB 4.11Å; I451-N547 WeakPolarHBondContact CD1-ND2 3.27Å; D543-N547 WeakPolarHBondContact O-CB 3.26Å; D543-N547 PolarHBondContact O-N 3.26Å; N547-A549 VanDerWaalsContact C-N 3.33Å; N547-A549 PolarHBondContact O-N 2.88Å; N547-S550 WeakPolarHBondContact O-CB 3.29Å; N547-S550 PolarHBondContact O-N 3.49Å; N547-V551 WeakPolarHBondContact O-CG2 3.5Å; N547-V551 PolarHBondContact O-N 3Å; N547-V551 VanDerWaalsContact O-N 3.07Å; N547-A569 WeakPolarHBondContact OD1-CB 3.09Å; N547-T579 WeakPolarHBondContact ND2-CA 3.36Å; N547-T579 PolarHBondContact ND2-OG1 2.8Å; N547-L582 HydrophobicContact CB-CD2 4.25Å
548Q90.6Very high89.5Confident2 Ų234.2 Ų34.21%0.00920%0.197CC..Hα-helixtrans-60.3-44171.3-74.4-153.947.700111.8F450 N510 L529 I544 A545 V551 L552F450-Q548 HydrophobicContact CD2-CG 4.22Å; F450-Q548 VanDerWaalsContact CE2-NE2 3.31Å; N510-Q548 PolarHBondContact O-NE2 3.19Å; N510-Q548 VanDerWaalsContact O-NE2 3.14Å; L529-Q548 HydrophobicContact CD1-CB 3.86Å; L529-Q548 HydrophobicContact CD2-CB 3.76Å; L529-Q548 HydrophobicContact CD2-CG 4.45Å; L529-Q548 HydrophobicContact CG-CB 4.48Å; I544-Q548 PolarHBondContact O-N 2.95Å; A545-Q548 PolarHBondContact O-N 3.12Å; Q548-V551 PolarHBondContact O-N 3.16Å; Q548-L552 WeakPolarHBondContact O-CG 3.34Å; Q548-L552 PolarHBondContact O-N 2.83Å; Q548-L552 VanDerWaalsContact O-N 3.13Å
549A92Very high90Very high13 Ų1336 Ų3611%0.10721%0.208CC..Hα-helixtrans-61.9-43176.600000111.3L529 A545 L546 N547 V551 L552 S553 L565L529-A549 HydrophobicContact CD1-CB 4.05Å; A545-A549 WeakPolarHBondContact O-CB 3.48Å; A545-A549 PolarHBondContact O-N 3Å; L546-A549 PolarHBondContact O-N 3.05Å; N547-A549 VanDerWaalsContact C-N 3.33Å; N547-A549 PolarHBondContact O-N 2.88Å; A549-V551 PolarHBondContact O-N 3.21Å; A549-L552 WeakPolarHBondContact O-CB 3.36Å; A549-L552 PolarHBondContact O-N 3.27Å; A549-L552 VanDerWaalsContact O-N 3.15Å; A549-S553 PolarHBondContact O-N 3.3Å; A549-S553 PolarHBondContact O-OG 2.87Å; A549-L565 HydrophobicContact CB-CD1 3.94Å; A549-L565 HydrophobicContact CB-CD2 4.46Å
550S92.7Very high90.3Very high0 Ų038.7 Ų38.70%022%0.222CC..Hα-helixtrans-57.3-47.1176.3173.80000112.8L546 N547 L552 S553 F554 A562 T566L546-S550 WeakPolarHBondContact O-CB 3.42Å; L546-S550 PolarHBondContact O-N 3.26Å; N547-S550 WeakPolarHBondContact O-CB 3.29Å; N547-S550 PolarHBondContact O-N 3.49Å; S550-L552 VanDerWaalsContact C-N 3.31Å; S550-L552 PolarHBondContact O-N 3.1Å; S550-S553 PolarHBondContact O-N 3.49Å; S550-F554 PolarHBondContact O-N 2.88Å; S550-A562 VanDerWaalsContact O-CB 3.3Å; S550-A562 WeakPolarHBondContact O-CB 3.38Å; S550-A562 PolarHBondContact OG-O 3.33Å; S550-T566 WeakPolarHBondContact CB-OG1 3.37Å; S550-T566 PolarHBondContact OG-OG1 2.97Å
551V90.6Very high90.5Very high0 Ų037.3 Ų37.30%021%0.213CC..Hα-helixtrans-63-37.5176.6175.40000111.5P446 N547 Q548 A549 N555 L582P446-V551 HydrophobicContact CG-CG1 4.05Å; N547-V551 WeakPolarHBondContact O-CG2 3.5Å; N547-V551 PolarHBondContact O-N 3Å; N547-V551 VanDerWaalsContact O-N 3.07Å; Q548-V551 PolarHBondContact O-N 3.16Å; A549-V551 PolarHBondContact O-N 3.21Å; V551-N555 WeakPolarHBondContact O-CB 3.4Å; V551-N555 PolarHBondContact O-N 2.97Å; V551-N555 PolarHBondContact O-ND2 3.31Å; V551-L582 HydrophobicContact CG2-CD1 3.95Å; V551-L582 HydrophobicContact CG2-CD2 3.97Å
552L89.7Confident90.7Very high17 Ų1734.8 Ų34.89%0.08920%0.203CC..Hα-helixtrans-67.4-44.7174.9-69.6169.5000112.1R517 A525 V526 L529 Q548 A549 S550 F554 N555 A556R517-L552 HydrophobicContact CG-CD2 4.22Å; A525-L552 HydrophobicContact CB-CD1 3.82Å; V526-L552 HydrophobicContact CG2-CD1 4.04Å; L529-L552 HydrophobicContact CD1-CD1 3.66Å; Q548-L552 WeakPolarHBondContact O-CG 3.34Å; Q548-L552 PolarHBondContact O-N 2.83Å; Q548-L552 VanDerWaalsContact O-N 3.13Å; A549-L552 WeakPolarHBondContact O-CB 3.36Å; A549-L552 PolarHBondContact O-N 3.27Å; A549-L552 VanDerWaalsContact O-N 3.15Å; S550-L552 VanDerWaalsContact C-N 3.31Å; S550-L552 PolarHBondContact O-N 3.1Å; L552-F554 VanDerWaalsContact C-N 3.35Å; L552-F554 PolarHBondContact O-N 3.17Å; L552-N555 PolarHBondContact O-N 3.35Å; L552-A556 WeakPolarHBondContact O-CB 3.44Å; L552-A556 PolarHBondContact O-N 3.13Å
553S90.6Very high90.9Very high12 Ų1232.6 Ų32.68%0.08419%0.194CC..Hα-helixtrans-61.7-40174.8-66.50000112A549 S550 A556 G557 Q558 L565A549-S553 PolarHBondContact O-N 3.3Å; A549-S553 PolarHBondContact O-OG 2.87Å; S550-S553 PolarHBondContact O-N 3.49Å; S553-A556 CarbonylContact O-C 3.47Å; S553-A556 PolarHBondContact O-N 3.36Å; S553-G557 PolarHBondContact O-N 3.5Å; S553-Q558 WeakPolarHBondContact O-CA 3.32Å; S553-Q558 WeakPolarHBondContact O-CB 3.33Å; S553-Q558 PolarHBondContact O-N 2.84Å; S553-L565 WeakPolarHBondContact OG-CD1 3.45Å
554F90.6Very high91.1Very high30 Ų3035.3 Ų35.313%0.13222%0.216CC..Hα-helixtrans-62.3-46.2174.1-176.4-90.4000111.5P446 S550 L552 A556 G557 V559 A562 Y585 L586 K589P446-F554 HydrophobicContact CB-CD1 3.97Å; P446-F554 HydrophobicContact CB-CE1 4.31Å; P446-F554 HydrophobicContact CG-CD1 3.67Å; P446-F554 HydrophobicContact CG-CE1 4.17Å; S550-F554 PolarHBondContact O-N 2.88Å; L552-F554 VanDerWaalsContact C-N 3.35Å; L552-F554 PolarHBondContact O-N 3.17Å; F554-A556 PolarHBondContact O-N 3.11Å; F554-G557 WeakPolarHBondContact O-CA 3.43Å; F554-G557 PolarHBondContact O-N 2.93Å; F554-V559 HydrophobicContact CD2-CG1 4.23Å; F554-V559 HydrophobicContact CD2-CG2 4.02Å; F554-V559 HydrophobicContact CE2-CG1 4.24Å; F554-V559 HydrophobicContact CE2-CG2 4Å; F554-A562 HydrophobicContact CB-CB 3.97Å; F554-Y585 HydrophobicContact CE1-CE1 4.1Å; F554-Y585 HydrophobicContact CE2-CE1 4.11Å; F554-Y585 AromaticContact CZ-CE1 3.8Å; F554-Y585 HydrophobicContact CZ-CE1 3.8Å; F554-L586 HydrophobicContact CB-CD2 4.18Å; F554-L586 HydrophobicContact CD2-CD2 3.22Å; F554-L586 HydrophobicContact CE2-CD2 3.83Å; F554-L586 HydrophobicContact CG-CD2 3.91Å; F554-K589 HydrophobicContact CE2-CB 4.41Å; F554-K589 HydrophobicContact CE2-CG 4.49Å; F554-K589 HydrophobicContact CZ-CG 4.27Å
555N86.7Confident91.3Very high90 Ų9037 Ų3748%0.48123%0.225SC..Hα-helixtrans-65.6-24.5177.4-69-20.1000112.8P446 V551 L552 G557P446-N555 WeakPolarHBondContact CG-OD1 3.38Å; V551-N555 WeakPolarHBondContact O-CB 3.4Å; V551-N555 PolarHBondContact O-N 2.97Å; V551-N555 PolarHBondContact O-ND2 3.31Å; L552-N555 PolarHBondContact O-N 3.35Å; N555-G557 VanDerWaalsContact C-N 3.25Å
556A87.1Confident91.5Very high65 Ų6536.9 Ų36.954%0.53722%0.224SC..THydrogen-bonded Turntrans-80.10.2169.900000113.8L552 S553 F554 Q558L552-A556 WeakPolarHBondContact O-CB 3.44Å; L552-A556 PolarHBondContact O-N 3.13Å; S553-A556 CarbonylContact O-C 3.47Å; S553-A556 PolarHBondContact O-N 3.36Å; F554-A556 PolarHBondContact O-N 3.11Å; A556-Q558 VanDerWaalsContact C-N 3.31Å; A556-Q558 HydrophobicContact CB-CG 4.31Å
557G87.9Confident91.6Very high58 Ų5842.2 Ų42.260%0.59824%0.243SC*.THydrogen-bonded Turntrans81.13.2-176.900000114.8S553 F554 N555 V559S553-G557 PolarHBondContact O-N 3.5Å; F554-G557 WeakPolarHBondContact O-CA 3.43Å; F554-G557 PolarHBondContact O-N 2.93Å; N555-G557 VanDerWaalsContact C-N 3.25Å; G557-V559 VanDerWaalsContact C-N 3.31Å; G557-V559 PolarHBondContact O-N 3.21Å; G557-V559 VanDerWaalsContact O-N 3.09Å
558Q90.3Very high91.7Very high94 Ų9443.6 Ų43.644%0.43926%0.255SS..  trans-87.864.1-177.6-56.3173.6-76.700110.7S553 A556 D560 E561 A562S553-Q558 WeakPolarHBondContact O-CA 3.32Å; S553-Q558 WeakPolarHBondContact O-CB 3.33Å; S553-Q558 PolarHBondContact O-N 2.84Å; A556-Q558 VanDerWaalsContact C-N 3.31Å; A556-Q558 HydrophobicContact CB-CG 4.31Å; Q558-D560 PolarHBondContact O-N 3.46Å; Q558-E561 HydrophobicContact CB-CB 4Å; Q558-E561 VanDerWaalsContact CD-OE2 3.27Å; Q558-E561 PolarHBondContact NE2-OE2 3.04Å; Q558-E561 WeakPolarHBondContact O-CB 3.48Å; Q558-E561 PolarHBondContact O-N 3.05Å; Q558-E561 VanDerWaalsContact O-N 3.14Å; Q558-A562 PolarHBondContact O-N 3.37Å
559V91Very high91.8Very high41 Ų4143.5 Ų43.525%0.24825%0.254CS..Hα-helixtrans-61.8-38.6-171.3-173.70000113F554 G557 E561 A562 I563 T590F554-V559 HydrophobicContact CD2-CG1 4.23Å; F554-V559 HydrophobicContact CD2-CG2 4.02Å; F554-V559 HydrophobicContact CE2-CG1 4.24Å; F554-V559 HydrophobicContact CE2-CG2 4Å; G557-V559 VanDerWaalsContact C-N 3.31Å; G557-V559 PolarHBondContact O-N 3.21Å; G557-V559 VanDerWaalsContact O-N 3.09Å; V559-E561 VanDerWaalsContact C-N 3.32Å; V559-E561 PolarHBondContact O-N 3.11Å; V559-A562 PolarHBondContact O-N 3.27Å; V559-I563 HydrophobicContact CG1-CD1 4.25Å; V559-I563 WeakPolarHBondContact O-CG1 3.37Å; V559-I563 PolarHBondContact O-N 2.65Å; V559-T590 HydrophobicContact CG1-CG2 3.52Å
560D91.5Very high91.9Very high136 Ų13644.2 Ų44.273%0.72726%0.256SS*.Hα-helixtrans-64.8-36.6176.6-67.9-47000112.4Q558 I563 A564Q558-D560 PolarHBondContact O-N 3.46Å; D560-I563 PolarHBondContact O-N 2.98Å; D560-A564 WeakPolarHBondContact O-CB 3.05Å; D560-A564 PolarHBondContact O-N 2.95Å
561E91.8Very high91.9Very high92 Ų9252.3 Ų52.343%0.4329%0.294SS..Hα-helixtrans-70.4-40.9176.7-171169.9-174.200110.8Q558 V559 I563 A564 L565Q558-E561 HydrophobicContact CB-CB 4Å; Q558-E561 VanDerWaalsContact CD-OE2 3.27Å; Q558-E561 PolarHBondContact NE2-OE2 3.04Å; Q558-E561 WeakPolarHBondContact O-CB 3.48Å; Q558-E561 PolarHBondContact O-N 3.05Å; Q558-E561 VanDerWaalsContact O-N 3.14Å; V559-E561 VanDerWaalsContact C-N 3.32Å; V559-E561 PolarHBondContact O-N 3.11Å; E561-I563 VanDerWaalsContact C-N 3.34Å; E561-I563 PolarHBondContact O-N 2.77Å; E561-A564 PolarHBondContact O-N 2.63Å; E561-A564 VanDerWaalsContact O-N 3.16Å; E561-L565 HydrophobicContact CG-CD1 4.1Å; E561-L565 HydrophobicContact CG-CG 4.49Å; E561-L565 WeakPolarHBondContact O-CB 3.35Å; E561-L565 VanDerWaalsContact O-CG 3.3Å; E561-L565 WeakPolarHBondContact O-CG 3.14Å; E561-L565 PolarHBondContact O-N 3.2Å
562A92.9Very high91.9Very high0 Ų055.1 Ų55.10%031%0.311CS..Hα-helixtrans-57.9-44.2171.700000112.1S550 F554 Q558 V559 A564 L565 T566 L586S550-A562 VanDerWaalsContact O-CB 3.3Å; S550-A562 WeakPolarHBondContact O-CB 3.38Å; S550-A562 PolarHBondContact OG-O 3.33Å; F554-A562 HydrophobicContact CB-CB 3.97Å; Q558-A562 PolarHBondContact O-N 3.37Å; V559-A562 PolarHBondContact O-N 3.27Å; A562-A564 PolarHBondContact O-N 3.31Å; A562-L565 PolarHBondContact O-N 3.17Å; A562-T566 WeakPolarHBondContact O-CB 3.34Å; A562-T566 PolarHBondContact O-N 3.01Å; A562-T566 PolarHBondContact O-OG1 3.18Å; A562-L586 HydrophobicContact CB-CD1 4.05Å; A562-L586 HydrophobicContact CB-CD2 4Å
563I94.4Very high91.9Very high10 Ų1056 Ų565%0.05132%0.316CS..Hα-helixtrans-64.2-40175.5-69.6168.6000111.2V559 D560 E561 R567 L583 L586 T590V559-I563 HydrophobicContact CG1-CD1 4.25Å; V559-I563 WeakPolarHBondContact O-CG1 3.37Å; V559-I563 PolarHBondContact O-N 2.65Å; D560-I563 PolarHBondContact O-N 2.98Å; E561-I563 VanDerWaalsContact C-N 3.34Å; E561-I563 PolarHBondContact O-N 2.77Å; I563-R567 VanDerWaalsContact CG2-CZ 3.47Å; I563-R567 WeakPolarHBondContact O-CB 3.4Å; I563-R567 VanDerWaalsContact O-CG 3.29Å; I563-R567 WeakPolarHBondContact O-CG 3.26Å; I563-R567 PolarHBondContact O-N 3.49Å; I563-L583 HydrophobicContact CG2-CD1 4.27Å; I563-L586 HydrophobicContact CD1-CB 4.36Å; I563-L586 HydrophobicContact CG1-CB 3.74Å; I563-L586 HydrophobicContact CG1-CD1 4.2Å; I563-L586 HydrophobicContact CG1-CG 4.49Å; I563-T590 HydrophobicContact CD1-CG2 3.72Å
564A95.3Very high91.9Very high57 Ų5760.3 Ų60.347%0.47134%0.338SS..Hα-helixtrans-64.7-44.3176.500000112.2D560 E561 A562 R567 A568D560-A564 WeakPolarHBondContact O-CB 3.05Å; D560-A564 PolarHBondContact O-N 2.95Å; E561-A564 PolarHBondContact O-N 2.63Å; E561-A564 VanDerWaalsContact O-N 3.16Å; A562-A564 PolarHBondContact O-N 3.31Å; A564-R567 PolarHBondContact O-N 3.05Å; A564-A568 PolarHBondContact O-N 3.35Å
565L94.6Very high91.9Very high34 Ų3462.1 Ų62.118%0.17835%0.354CS..Hα-helixtrans-64.5-43.1177.2-71.2167.6000111.9L546 A549 S553 E561 A562 R567 A568 A569L546-L565 HydrophobicContact CD2-CD2 3.81Å; A549-L565 HydrophobicContact CB-CD1 3.94Å; A549-L565 HydrophobicContact CB-CD2 4.46Å; S553-L565 WeakPolarHBondContact OG-CD1 3.45Å; E561-L565 HydrophobicContact CG-CD1 4.1Å; E561-L565 HydrophobicContact CG-CG 4.49Å; E561-L565 WeakPolarHBondContact O-CB 3.35Å; E561-L565 VanDerWaalsContact O-CG 3.3Å; E561-L565 WeakPolarHBondContact O-CG 3.14Å; E561-L565 PolarHBondContact O-N 3.2Å; A562-L565 PolarHBondContact O-N 3.17Å; L565-R567 VanDerWaalsContact C-N 3.34Å; L565-R567 PolarHBondContact O-N 3.46Å; L565-A568 WeakPolarHBondContact O-CB 3.5Å; L565-A568 PolarHBondContact O-N 2.84Å; L565-A568 VanDerWaalsContact O-N 3.16Å; L565-A569 PolarHBondContact O-N 2.7Å
566T94.4Very high91.9Very high0 Ų058.2 Ų58.20%033%0.333CS..Hα-helixtrans-67.4-34.3176.9-43.20000111.8S550 A562 A569 L570 T579 L582 L583 L586S550-T566 WeakPolarHBondContact CB-OG1 3.37Å; S550-T566 PolarHBondContact OG-OG1 2.97Å; A562-T566 WeakPolarHBondContact O-CB 3.34Å; A562-T566 PolarHBondContact O-N 3.01Å; A562-T566 PolarHBondContact O-OG1 3.18Å; T566-A569 WeakPolarHBondContact O-CB 3.49Å; T566-A569 PolarHBondContact O-N 3.28Å; T566-L570 PolarHBondContact O-N 2.96Å; T566-T579 HydrophobicContact CG2-CG2 3.87Å; T566-L582 HydrophobicContact CG2-CB 4.25Å; T566-L582 HydrophobicContact CG2-CD2 4.17Å; T566-L582 HydrophobicContact CG2-CG 4.14Å; T566-L583 HydrophobicContact CG2-CB 3.76Å; T566-L586 VanDerWaalsContact OG1-CD1 3.29Å; T566-L586 WeakPolarHBondContact OG1-CD1 3.49Å
567R96.2Very high92Very high132 Ų13256.1 Ų56.150%0.49831%0.314SS..Hα-helixtrans-67.7-34.8171.2-76.3172.9177.4155.42112.6I563 A564 L565 A569 L570 Q571 L583I563-R567 VanDerWaalsContact CG2-CZ 3.47Å; I563-R567 WeakPolarHBondContact O-CB 3.4Å; I563-R567 VanDerWaalsContact O-CG 3.29Å; I563-R567 WeakPolarHBondContact O-CG 3.26Å; I563-R567 PolarHBondContact O-N 3.49Å; A564-R567 PolarHBondContact O-N 3.05Å; L565-R567 VanDerWaalsContact C-N 3.34Å; L565-R567 PolarHBondContact O-N 3.46Å; R567-A569 VanDerWaalsContact C-N 3.35Å; R567-L570 PolarHBondContact O-N 3.42Å; R567-Q571 WeakPolarHBondContact O-CG 3.4Å; R567-Q571 PolarHBondContact O-N 3.15Å; R567-L583 HydrophobicContact CG-CD2 4.41Å
568A95.2Very high92Very high32 Ų3254.7 Ų54.726%0.26429%0.292SS..Hα-helixtrans-68.6-35172.500000111.6L546 A564 L565 Q571 V572L546-A568 HydrophobicContact CD1-CB 3.93Å; L546-A568 HydrophobicContact CD2-CB 4.39Å; A564-A568 PolarHBondContact O-N 3.35Å; L565-A568 WeakPolarHBondContact O-CB 3.5Å; L565-A568 PolarHBondContact O-N 2.84Å; L565-A568 VanDerWaalsContact O-N 3.16Å; A568-Q571 WeakPolarHBondContact O-CB 3.13Å; A568-Q571 PolarHBondContact O-N 3.46Å; A568-Q571 VanDerWaalsContact O-N 3.16Å; A568-V572 PolarHBondContact O-N 2.95Å
569A93.1Very high92.1Very high0 Ų050.2 Ų50.20%027%0.271CS..Hα-helixtrans-60.4-46.7171.700000111.2D543 L546 N547 L565 T566 R567 Q571 V572 D573 T579D543-A569 HydrophobicContact CB-CB 3.88Å; L546-A569 HydrophobicContact CB-CB 3.89Å; N547-A569 WeakPolarHBondContact OD1-CB 3.09Å; L565-A569 PolarHBondContact O-N 2.7Å; T566-A569 WeakPolarHBondContact O-CB 3.49Å; T566-A569 PolarHBondContact O-N 3.28Å; R567-A569 VanDerWaalsContact C-N 3.35Å; A569-Q571 PolarHBondContact O-N 2.82Å; A569-V572 PolarHBondContact O-N 3.38Å; A569-D573 PolarHBondContact O-N 3.22Å; A569-T579 HydrophobicContact CB-CG2 3.7Å
570L93.5Very high92.2Very high28 Ų2848.8 Ų48.815%0.14726%0.261CS..Hα-helixtrans-63.8-17.8173.7-68.9-179.9000114.9T566 R567 V572 D573 T579 H580 L583T566-L570 PolarHBondContact O-N 2.96Å; R567-L570 PolarHBondContact O-N 3.42Å; L570-V572 VanDerWaalsContact C-N 3.34Å; L570-D573 WeakPolarHBondContact CA-O 3.37Å; L570-T579 HydrophobicContact CD2-CG2 3.38Å; L570-T579 HydrophobicContact CG-CG2 3.57Å; L570-H580 VanDerWaalsContact CD2-CE1 3.49Å; L570-H580 WeakPolarHBondContact CD2-CE1 3.41Å; L570-H580 WeakPolarHBondContact CD2-NE2 3.45Å; L570-L583 HydrophobicContact CD1-CD2 3.44Å; L570-L583 VanDerWaalsContact CD1-CD2 3.44Å
571Q93.5Very high92.3Very high170 Ų17043.2 Ų43.279%0.79423%0.23SC*.Hα-helixtrans-81.9-16.3172.5-73.9179.2-0.800113R567 A568 A569R567-Q571 WeakPolarHBondContact O-CG 3.4Å; R567-Q571 PolarHBondContact O-N 3.15Å; A568-Q571 WeakPolarHBondContact O-CB 3.13Å; A568-Q571 PolarHBondContact O-N 3.46Å; A568-Q571 VanDerWaalsContact O-N 3.16Å; A569-Q571 PolarHBondContact O-N 2.82Å
572V90.6Very high92.4Very high60 Ų6038.9 Ų38.936%0.36421%0.21SC..Hα-helixtrans-94.2-41.6175.2173.60000109.9K542 D543 L546 A568 A569 L570K542-V572 HydrophobicContact CB-CG1 4.25Å; K542-V572 HydrophobicContact CB-CG2 4.08Å; D543-V572 HydrophobicContact CB-CB 4.06Å; D543-V572 HydrophobicContact CB-CG1 4.09Å; L546-V572 HydrophobicContact CD1-CG2 4.44Å; A568-V572 PolarHBondContact O-N 2.95Å; A569-V572 PolarHBondContact O-N 3.38Å; L570-V572 VanDerWaalsContact C-N 3.34Å
573D88.7Confident92.4Very high35 Ų3538.9 Ų38.919%0.18721%0.21CC..  trans-147.1113.3174.6-166.8-24.1000111.5K456 A569 L570 S575 E576K456-D573 IonicContact NZ-OD2 3.74Å; K456-D573 PolarHBondContact NZ-OD2 2.67Å; A569-D573 PolarHBondContact O-N 3.22Å; L570-D573 WeakPolarHBondContact CA-O 3.37Å; D573-S575 WeakPolarHBondContact OD1-CA 3.31Å; D573-S575 WeakPolarHBondContact OD1-CB 3.42Å; D573-S575 PolarHBondContact OD1-N 2.63Å; D573-S575 PolarHBondContact OD1-OG 2.89Å; D573-E576 PolarHBondContact OD1-N 3.23Å
574D91.3Very high92.4Very high102 Ų10238.4 Ų38.455%0.54521%0.208SC..SBendtrans-96.310.4176.770.4-17.8000113.7H580D574-H580 PolarHBondContact O-NE2 2.96Å
575S89.2Confident92.4Very high68 Ų6835.8 Ų35.848%0.47619%0.186SC..SBendtrans-108.4-5.4177.471.80000113.9D573 P577D573-S575 WeakPolarHBondContact OD1-CA 3.31Å; D573-S575 WeakPolarHBondContact OD1-CB 3.42Å; D573-S575 PolarHBondContact OD1-N 2.63Å; D573-S575 PolarHBondContact OD1-OG 2.89Å; S575-P577 WeakPolarHBondContact O-CD 3.39Å
576E87.1Confident92.3Very high9 Ų934.2 Ų34.24%0.04218%0.177CC..  trans-78.2113.5-178.8-177.565.9-132.700111.9I451 K456 D573 E578 T579 H580I451-E576 HydrophobicContact CD1-CG 3.78Å; I451-E576 HydrophobicContact CG1-CG 3.86Å; I451-E576 HydrophobicContact CG2-CG 4.42Å; I451-E576 WeakPolarHBondContact CG2-OE2 3.49Å; K456-E576 WeakPolarHBondContact CE-OE2 3.35Å; K456-E576 IonicContact NZ-OE2 3.08Å; D573-E576 PolarHBondContact OD1-N 3.23Å; E576-E578 VanDerWaalsContact C-N 3.3Å; E576-E578 HydrophobicContact CG-CB 4.36Å; E576-E578 PolarHBondContact O-N 2.91Å; E576-T579 VanDerWaalsContact CG-OG1 3.25Å; E576-T579 WeakPolarHBondContact CG-OG1 3.11Å; E576-T579 PolarHBondContact O-N 3.22Å; E576-H580 PolarHBondContact O-N 3.37Å
577P89.5Confident92.3Very high21 Ų2134.4 Ų34.414%0.13618%0.178CC..Hα-helixtrans-62.3-37.7-175.9-13.824.4000112.2S575 T579 H580 Y581 S603 L606 E607S575-P577 WeakPolarHBondContact O-CD 3.39Å; P577-T579 VanDerWaalsContact C-N 3.32Å; P577-T579 PolarHBondContact O-N 2.67Å; P577-H580 PolarHBondContact O-N 3.28Å; P577-Y581 PolarHBondContact O-N 3.34Å; P577-S603 PolarHBondContact O-OG 3.37Å; P577-L606 HydrophobicContact CB-CB 4.18Å; P577-L606 HydrophobicContact CG-CB 3.94Å; P577-E607 HydrophobicContact CB-CB 4.08Å; P577-E607 HydrophobicContact CG-CB 3.99Å
578E88.7Confident92.2Very high28 Ų2828.2 Ų28.213%0.13116%0.155CC..Hα-helixtrans-64-35.9-177.7-88.469.4128.200112.1T449 I451 N455 E576 Y581 L582 R611T449-E578 HydrophobicContact CG2-CB 4.28Å; T449-E578 HydrophobicContact CG2-CG 4.07Å; I451-E578 HydrophobicContact CG1-CB 4.06Å; N455-E578 PolarHBondContact ND2-OE1 3.37Å; E576-E578 VanDerWaalsContact C-N 3.3Å; E576-E578 HydrophobicContact CG-CB 4.36Å; E576-E578 PolarHBondContact O-N 2.91Å; E578-Y581 PolarHBondContact O-N 3.2Å; E578-L582 WeakPolarHBondContact O-CB 3.16Å; E578-L582 PolarHBondContact O-N 3.07Å; E578-R611 IonicContact OE2-CZ 3.85Å; E578-R611 IonicContact OE2-NH1 3.17Å; E578-R611 PolarHBondContact OE2-NH1 3.36Å; E578-R611 IonicContact OE2-NH2 3.03Å
579T92Very high91.9Very high0 Ų029.8 Ų29.80%016%0.156CC..Hα-helixtrans-67.9-42.5176.2-50.90000110.8N547 T566 A569 L570 E576 P577 L582 L583N547-T579 WeakPolarHBondContact ND2-CA 3.36Å; N547-T579 PolarHBondContact ND2-OG1 2.8Å; T566-T579 HydrophobicContact CG2-CG2 3.87Å; A569-T579 HydrophobicContact CB-CG2 3.7Å; L570-T579 HydrophobicContact CD2-CG2 3.38Å; L570-T579 HydrophobicContact CG-CG2 3.57Å; E576-T579 VanDerWaalsContact CG-OG1 3.25Å; E576-T579 WeakPolarHBondContact CG-OG1 3.11Å; E576-T579 PolarHBondContact O-N 3.22Å; P577-T579 VanDerWaalsContact C-N 3.32Å; P577-T579 PolarHBondContact O-N 2.67Å; T579-L582 PolarHBondContact O-N 3.16Å; T579-L583 WeakPolarHBondContact O-CB 3.41Å; T579-L583 PolarHBondContact O-N 3.46Å
580H94Very high91.8Very high10 Ų1033 Ų335%0.04618%0.176CC..Hα-helixtrans-66.9-38.4175-79.8-65.7000112.9L570 D574 E576 P577 L583 G584 H599 Y602L570-H580 VanDerWaalsContact CD2-CE1 3.49Å; L570-H580 WeakPolarHBondContact CD2-CE1 3.41Å; L570-H580 WeakPolarHBondContact CD2-NE2 3.45Å; D574-H580 PolarHBondContact O-NE2 2.96Å; E576-H580 PolarHBondContact O-N 3.37Å; P577-H580 PolarHBondContact O-N 3.28Å; H580-L583 PolarHBondContact O-N 3.05Å; H580-G584 PolarHBondContact O-N 2.85Å; H580-H599 AromaticContact CE1-ND1 3.69Å; H580-H599 AromaticContact ND1-ND1 3.18Å; H580-H599 PolarHBondContact ND1-ND1 3.34Å; H580-H599 VanDerWaalsContact ND1-ND1 3.18Å; H580-Y602 AromaticContact CD2-CD1 3.54Å; H580-Y602 AromaticContact CD2-CE1 3.82Å; H580-Y602 AromaticContact CE1-CD1 3.58Å; H580-Y602 AromaticContact CE1-CE1 3.87Å; H580-Y602 AromaticContact CG-CD1 3.81Å; H580-Y602 AromaticContact ND1-CD1 3.85Å; H580-Y602 AromaticContact NE2-CD1 3.38Å; H580-Y602 WeakPolarHBondContact NE2-CD1 3.5Å; H580-Y602 AromaticContact NE2-CE1 3.36Å; H580-Y602 WeakPolarHBondContact NE2-CE1 3.45Å
581Y92.7Very high91.7Very high20 Ų2033.3 Ų33.38%0.07819%0.186CC..Hα-helixtrans-62.6-47.2173.7176.6-147.8000111.8P447 T449 P577 E578 G584 Y585 L600 R611 D613 I614 L617P447-Y581 HydrophobicContact CB-CD1 4.04Å; P447-Y581 HydrophobicContact CB-CE1 3.34Å; P447-Y581 HydrophobicContact CG-CD1 4.03Å; P447-Y581 HydrophobicContact CG-CE1 3.76Å; P447-Y581 HydrophobicContact CG-CE2 4.44Å; T449-Y581 HydrophobicContact CG2-CD1 3.87Å; T449-Y581 HydrophobicContact CG2-CE1 4.35Å; P577-Y581 PolarHBondContact O-N 3.34Å; E578-Y581 PolarHBondContact O-N 3.2Å; Y581-G584 PolarHBondContact O-N 3.22Å; Y581-Y585 WeakPolarHBondContact O-CB 3.49Å; Y581-Y585 PolarHBondContact O-N 3.2Å; Y581-L600 HydrophobicContact CD2-CD2 3.88Å; Y581-L600 HydrophobicContact CE2-CD2 4.44Å; Y581-R611 VanDerWaalsContact CD1-NH2 3.3Å; Y581-D613 WeakPolarHBondContact CE1-OD2 3.48Å; Y581-D613 PolarHBondContact OH-OD2 2.86Å; Y581-I614 HydrophobicContact CD1-CG1 4.33Å; Y581-I614 HydrophobicContact CD2-CB 4.46Å; Y581-I614 HydrophobicContact CD2-CG1 3.79Å; Y581-I614 HydrophobicContact CD2-CG2 4.37Å; Y581-I614 HydrophobicContact CE1-CG1 4.47Å; Y581-I614 HydrophobicContact CE2-CB 4.49Å; Y581-I614 HydrophobicContact CE2-CG1 3.98Å; Y581-I614 HydrophobicContact CG-CD1 4.38Å; Y581-I614 HydrophobicContact CG-CG1 3.96Å; Y581-L617 HydrophobicContact CD2-CD2 4.33Å; Y581-L617 HydrophobicContact CE2-CD2 3.76Å
582L92.8Very high91.6Very high0 Ų028.4 Ų28.40%017%0.165CC..Hα-helixtrans-61.1-45.6177.1-178.559.9000111.5P447 N547 V551 T566 E578 T579 G584 Y585 L586P447-L582 HydrophobicContact CG-CD1 4.42Å; N547-L582 HydrophobicContact CB-CD2 4.25Å; V551-L582 HydrophobicContact CG2-CD1 3.95Å; V551-L582 HydrophobicContact CG2-CD2 3.97Å; T566-L582 HydrophobicContact CG2-CB 4.25Å; T566-L582 HydrophobicContact CG2-CD2 4.17Å; T566-L582 HydrophobicContact CG2-CG 4.14Å; E578-L582 WeakPolarHBondContact O-CB 3.16Å; E578-L582 PolarHBondContact O-N 3.07Å; T579-L582 PolarHBondContact O-N 3.16Å; L582-G584 PolarHBondContact O-N 3.32Å; L582-Y585 PolarHBondContact O-N 3.42Å; L582-L586 HydrophobicContact CD1-CD1 4.32Å; L582-L586 HydrophobicContact CD1-CG 4.35Å; L582-L586 HydrophobicContact CG-CD1 4.11Å; L582-L586 VanDerWaalsContact O-CG 3.27Å; L582-L586 WeakPolarHBondContact O-CG 3.43Å; L582-L586 PolarHBondContact O-N 3.47Å
583L94.9Very high91.7Very high1 Ų128.8 Ų28.81%0.00516%0.16CC..Hα-helixtrans-65.2-40.8177.6-174.155.8000111.9I563 T566 R567 L570 T579 H580 Y585 L586 L587 H599I563-L583 HydrophobicContact CG2-CD1 4.27Å; T566-L583 HydrophobicContact CG2-CB 3.76Å; R567-L583 HydrophobicContact CG-CD2 4.41Å; L570-L583 HydrophobicContact CD1-CD2 3.44Å; L570-L583 VanDerWaalsContact CD1-CD2 3.44Å; T579-L583 WeakPolarHBondContact O-CB 3.41Å; T579-L583 PolarHBondContact O-N 3.46Å; H580-L583 PolarHBondContact O-N 3.05Å; L583-Y585 VanDerWaalsContact C-N 3.34Å; L583-Y585 PolarHBondContact O-N 2.89Å; L583-L586 PolarHBondContact O-N 2.98Å; L583-L587 HydrophobicContact CD1-CD1 4Å; L583-L587 HydrophobicContact CD1-CG 4.06Å; L583-L587 HydrophobicContact CD2-CD1 4.5Å; L583-L587 HydrophobicContact CG-CD1 3.78Å; L583-L587 HydrophobicContact CG-CG 4.32Å; L583-L587 WeakPolarHBondContact O-CB 3.24Å; L583-L587 VanDerWaalsContact O-CG 3.25Å; L583-L587 WeakPolarHBondContact O-CG 3.29Å; L583-L587 PolarHBondContact O-N 2.98Å; L583-H599 WeakPolarHBondContact CD2-NE2 3.45Å
584G93.9Very high91.9Very high0 Ų031 Ų310%018%0.175CC..Hα-helixtrans-58.2-43.8174.100000112.6H580 Y581 L582 A588 A596H580-G584 PolarHBondContact O-N 2.85Å; Y581-G584 PolarHBondContact O-N 3.22Å; L582-G584 PolarHBondContact O-N 3.32Å; G584-A588 WeakPolarHBondContact O-CB 3.25Å; G584-A588 PolarHBondContact O-N 2.89Å; G584-A596 VanDerWaalsContact O-CB 3.31Å; G584-A596 WeakPolarHBondContact O-CB 3.42Å
585Y93.9Very high91.9Very high2 Ų227.3 Ų27.31%0.00816%0.159CC..Hα-helixtrans-62.4-48.4173.5173.2-89.3000112.8P443 D444 S445 P446 F554 Y581 L582 L583 L587 A588 K589 L617P443-Y585 VanDerWaalsContact O-CE2 3.26Å; P443-Y585 WeakPolarHBondContact O-CE2 3.48Å; P443-Y585 PolarHBondContact O-OH 2.96Å; P443-Y585 VanDerWaalsContact O-OH 3.06Å; D444-Y585 PolarHBondContact O-OH 2.96Å; D444-Y585 VanDerWaalsContact O-OH 3.11Å; S445-Y585 PolarHBondContact O-OH 3.12Å; P446-Y585 VanDerWaalsContact CA-CE1 3.44Å; P446-Y585 HydrophobicContact CB-CD1 4.13Å; P446-Y585 HydrophobicContact CB-CE1 3.72Å; F554-Y585 HydrophobicContact CE1-CE1 4.1Å; F554-Y585 HydrophobicContact CE2-CE1 4.11Å; F554-Y585 AromaticContact CZ-CE1 3.8Å; F554-Y585 HydrophobicContact CZ-CE1 3.8Å; Y581-Y585 WeakPolarHBondContact O-CB 3.49Å; Y581-Y585 PolarHBondContact O-N 3.2Å; L582-Y585 PolarHBondContact O-N 3.42Å; L583-Y585 VanDerWaalsContact C-N 3.34Å; L583-Y585 PolarHBondContact O-N 2.89Å; Y585-L587 VanDerWaalsContact C-N 3.33Å; Y585-L587 PolarHBondContact O-N 3.4Å; Y585-A588 WeakPolarHBondContact O-CB 3.48Å; Y585-A588 PolarHBondContact O-N 3.35Å; Y585-K589 HydrophobicContact CE1-CG 3.9Å; Y585-K589 HydrophobicContact CE2-CG 4.2Å; Y585-K589 PolarHBondContact O-N 3.27Å; Y585-K589 WeakPolarHBondContact OH-CE 3.44Å; Y585-L617 HydrophobicContact CD2-CD2 4.13Å
586L93.6Very high92.1Very high0 Ų024 Ų240%014%0.136CC..Hα-helixtrans-63.7-38.3-179.2-68.6170.7000112.2F554 A562 I563 T566 L582 L583 K589 T590F554-L586 HydrophobicContact CB-CD2 4.18Å; F554-L586 HydrophobicContact CD2-CD2 3.22Å; F554-L586 HydrophobicContact CE2-CD2 3.83Å; F554-L586 HydrophobicContact CG-CD2 3.91Å; A562-L586 HydrophobicContact CB-CD1 4.05Å; A562-L586 HydrophobicContact CB-CD2 4Å; I563-L586 HydrophobicContact CD1-CB 4.36Å; I563-L586 HydrophobicContact CG1-CB 3.74Å; I563-L586 HydrophobicContact CG1-CD1 4.2Å; I563-L586 HydrophobicContact CG1-CG 4.49Å; T566-L586 VanDerWaalsContact OG1-CD1 3.29Å; T566-L586 WeakPolarHBondContact OG1-CD1 3.49Å; L582-L586 HydrophobicContact CD1-CD1 4.32Å; L582-L586 HydrophobicContact CD1-CG 4.35Å; L582-L586 HydrophobicContact CG-CD1 4.11Å; L582-L586 VanDerWaalsContact O-CG 3.27Å; L582-L586 WeakPolarHBondContact O-CG 3.43Å; L582-L586 PolarHBondContact O-N 3.47Å; L583-L586 PolarHBondContact O-N 2.98Å; L586-K589 PolarHBondContact O-N 3.1Å; L586-T590 PolarHBondContact O-N 3.32Å; L586-T590 VanDerWaalsContact O-N 3.08Å; L586-T590 PolarHBondContact O-OG1 2.94Å
587L94.8Very high92.4Very high4 Ų424.3 Ų24.32%0.02114%0.138CC..Hα-helixtrans-68.7-37174.4-70.2168000111.9L583 Y585 T590 G591 N592 A595 A596L583-L587 HydrophobicContact CD1-CD1 4Å; L583-L587 HydrophobicContact CD1-CG 4.06Å; L583-L587 HydrophobicContact CD2-CD1 4.5Å; L583-L587 HydrophobicContact CG-CD1 3.78Å; L583-L587 HydrophobicContact CG-CG 4.32Å; L583-L587 WeakPolarHBondContact O-CB 3.24Å; L583-L587 VanDerWaalsContact O-CG 3.25Å; L583-L587 WeakPolarHBondContact O-CG 3.29Å; L583-L587 PolarHBondContact O-N 2.98Å; Y585-L587 VanDerWaalsContact C-N 3.33Å; Y585-L587 PolarHBondContact O-N 3.4Å; L587-T590 WeakPolarHBondContact CA-OG1 3.19Å; L587-T590 PolarHBondContact O-N 3.43Å; L587-T590 PolarHBondContact O-OG1 3.41Å; L587-T590 VanDerWaalsContact O-OG1 3.14Å; L587-G591 PolarHBondContact O-N 3.11Å; L587-N592 HydrophobicContact CB-CB 4.41Å; L587-N592 HydrophobicContact CD2-CB 4.09Å; L587-N592 PolarHBondContact O-N 2.79Å; L587-A595 HydrophobicContact CD1-CB 3.88Å; L587-A596 HydrophobicContact CB-CB 3.8Å
588A92.7Very high92.6Very high2 Ų228 Ų282%0.01716%0.157CC..Hα-helixtrans-63.7-42.5173.200000112I442 G584 Y585 T590 G591 Y593 A596 V621I442-A588 HydrophobicContact CD1-CB 4.4Å; I442-A588 HydrophobicContact CG2-CB 4.33Å; G584-A588 WeakPolarHBondContact O-CB 3.25Å; G584-A588 PolarHBondContact O-N 2.89Å; Y585-A588 WeakPolarHBondContact O-CB 3.48Å; Y585-A588 PolarHBondContact O-N 3.35Å; A588-T590 VanDerWaalsContact C-N 3.33Å; A588-T590 PolarHBondContact O-N 3.45Å; A588-G591 PolarHBondContact O-N 3.28Å; A588-Y593 VanDerWaalsContact O-CE1 3.31Å; A588-Y593 WeakPolarHBondContact O-CE1 3.26Å; A588-A596 HydrophobicContact CB-CB 4.07Å; A588-V621 HydrophobicContact CB-CG2 3.53Å
589K90.3Very high92.9Very high66 Ų6629.1 Ų29.129%0.28716%0.162SC..Hα-helixtrans-68.8-26.9176.1-79.4-63.6-173.2-162.30114.2I442 P443 D444 F554 Y585 L586 G591I442-K589 HydrophobicContact CG2-CD 4.07Å; I442-K589 HydrophobicContact CG2-CG 4.38Å; I442-K589 PolarHBondContact O-NZ 3.21Å; P443-K589 WeakPolarHBondContact O-CE 3.27Å; P443-K589 PolarHBondContact O-NZ 2.93Å; D444-K589 IonicContact OD1-NZ 3.94Å; D444-K589 PolarHBondContact OD1-NZ 3.34Å; F554-K589 HydrophobicContact CE2-CB 4.41Å; F554-K589 HydrophobicContact CE2-CG 4.49Å; F554-K589 HydrophobicContact CZ-CG 4.27Å; Y585-K589 HydrophobicContact CE1-CG 3.9Å; Y585-K589 HydrophobicContact CE2-CG 4.2Å; Y585-K589 PolarHBondContact O-N 3.27Å; Y585-K589 WeakPolarHBondContact OH-CE 3.44Å; L586-K589 PolarHBondContact O-N 3.1Å; K589-G591 VanDerWaalsContact C-N 3.31Å
590T91.1Very high92.9Very high66 Ų6629.1 Ų29.141%0.40516%0.162SC..THydrogen-bonded Turntrans-86.21.8173.148.20000113.8V559 I563 L586 L587 A588 N592V559-T590 HydrophobicContact CG1-CG2 3.52Å; I563-T590 HydrophobicContact CD1-CG2 3.72Å; L586-T590 PolarHBondContact O-N 3.32Å; L586-T590 VanDerWaalsContact O-N 3.08Å; L586-T590 PolarHBondContact O-OG1 2.94Å; L587-T590 WeakPolarHBondContact CA-OG1 3.19Å; L587-T590 PolarHBondContact O-N 3.43Å; L587-T590 PolarHBondContact O-OG1 3.41Å; L587-T590 VanDerWaalsContact O-OG1 3.14Å; A588-T590 VanDerWaalsContact C-N 3.33Å; A588-T590 PolarHBondContact O-N 3.45Å; T590-N592 VanDerWaalsContact C-N 3.31Å; T590-N592 PolarHBondContact O-N 3.42Å
591G89.8Confident92.9Very high35 Ų3532.8 Ų32.836%0.36118%0.177SC..THydrogen-bonded Turntrans79.75.7179.200000115L587 A588 K589 Y593L587-G591 PolarHBondContact O-N 3.11Å; A588-G591 PolarHBondContact O-N 3.28Å; K589-G591 VanDerWaalsContact C-N 3.31Å; G591-Y593 WeakPolarHBondContact O-CD2 3.48Å; G591-Y593 PolarHBondContact O-N 2.64Å
592N92.6Very high92.9Very high67 Ų6735.8 Ų35.836%0.35819%0.189SC..  trans-85.863.3176.4-168.9-5.1000110.6L587 T590 T594 A595 A596L587-N592 HydrophobicContact CB-CB 4.41Å; L587-N592 HydrophobicContact CD2-CB 4.09Å; L587-N592 PolarHBondContact O-N 2.79Å; T590-N592 VanDerWaalsContact C-N 3.31Å; T590-N592 PolarHBondContact O-N 3.42Å; N592-T594 VanDerWaalsContact C-N 3.31Å; N592-T594 PolarHBondContact O-N 3.47Å; N592-T594 PolarHBondContact OD1-OG1 3.4Å; N592-A595 PolarHBondContact O-N 2.92Å; N592-A596 WeakPolarHBondContact O-CB 3.44Å; N592-A596 PolarHBondContact O-N 3.35Å
593Y92.8Very high92.7Very high68 Ų6835.8 Ų35.827%0.26719%0.189SC..Hα-helixtrans-65.1-29.4-169-51-60.1000114.1I442 A588 G591 A596 I597 V621 V624 N625I442-Y593 HydrophobicContact CD1-CE1 4.1Å; A588-Y593 VanDerWaalsContact O-CE1 3.31Å; A588-Y593 WeakPolarHBondContact O-CE1 3.26Å; G591-Y593 WeakPolarHBondContact O-CD2 3.48Å; G591-Y593 PolarHBondContact O-N 2.64Å; Y593-A596 WeakPolarHBondContact O-CB 3.23Å; Y593-A596 PolarHBondContact O-N 3.37Å; Y593-I597 WeakPolarHBondContact O-CD1 3.3Å; Y593-I597 WeakPolarHBondContact O-CG1 3.49Å; Y593-I597 PolarHBondContact O-N 2.89Å; Y593-V621 HydrophobicContact CD1-CG1 4.07Å; Y593-V621 HydrophobicContact CG-CG1 4.42Å; Y593-V624 HydrophobicContact CD1-CG1 4.39Å; Y593-V624 HydrophobicContact CD2-CG1 4.28Å; Y593-V624 HydrophobicContact CE1-CB 4.5Å; Y593-V624 HydrophobicContact CE1-CG1 3.77Å; Y593-V624 HydrophobicContact CE2-CG1 3.66Å; Y593-N625 HydrophobicContact CG-CB 4.37Å
594T91.6Very high92.4Very high81 Ų8137.4 Ų37.450%0.49720%0.198SC..Hα-helixtrans-65.3-52.6177.547.80000111.4N592 A596 I597 D598N592-T594 VanDerWaalsContact C-N 3.31Å; N592-T594 PolarHBondContact O-N 3.47Å; N592-T594 PolarHBondContact OD1-OG1 3.4Å; T594-A596 VanDerWaalsContact C-N 3.27Å; T594-A596 PolarHBondContact O-N 2.94Å; T594-I597 PolarHBondContact O-N 3.44Å; T594-D598 PolarHBondContact O-N 3.01Å
595A92.1Very high92.1Very high25 Ų2544 Ų4421%0.20723%0.228CC..Hα-helixtrans-65.5-31.5175.700000112.3L587 N592 D598 H599L587-A595 HydrophobicContact CD1-CB 3.88Å; N592-A595 PolarHBondContact O-N 2.92Å; A595-D598 PolarHBondContact O-N 3.23Å; A595-H599 PolarHBondContact O-CD2 3.37Å; A595-H599 VanDerWaalsContact O-CD2 3.28Å; A595-H599 PolarHBondContact O-N 3.46Å
596A93.8Very high91.7Very high0 Ų046.8 Ų46.80%024%0.243CC..Hα-helixtrans-62-46.217200000112G584 L587 A588 N592 Y593 T594 D598 H599 L600 V621G584-A596 VanDerWaalsContact O-CB 3.31Å; G584-A596 WeakPolarHBondContact O-CB 3.42Å; L587-A596 HydrophobicContact CB-CB 3.8Å; A588-A596 HydrophobicContact CB-CB 4.07Å; N592-A596 WeakPolarHBondContact O-CB 3.44Å; N592-A596 PolarHBondContact O-N 3.35Å; Y593-A596 WeakPolarHBondContact O-CB 3.23Å; Y593-A596 PolarHBondContact O-N 3.37Å; T594-A596 VanDerWaalsContact C-N 3.27Å; T594-A596 PolarHBondContact O-N 2.94Å; A596-D598 VanDerWaalsContact C-N 3.31Å; A596-D598 PolarHBondContact O-N 2.99Å; A596-H599 PolarHBondContact O-N 3.25Å; A596-L600 WeakPolarHBondContact O-CB 3.44Å; A596-L600 WeakPolarHBondContact O-CD1 3.4Å; A596-L600 WeakPolarHBondContact O-CG 3.49Å; A596-L600 PolarHBondContact O-N 3.27Å; A596-V621 HydrophobicContact CB-CG1 3.96Å
597I93.7Very high91Very high15 Ų1550.2 Ų50.28%0.07726%0.259CS..Hα-helixtrans-58.4-42.6178-74.1160.6000111.3Y593 T594 L600 K601 L618 V621 Q622 N625Y593-I597 WeakPolarHBondContact O-CD1 3.3Å; Y593-I597 WeakPolarHBondContact O-CG1 3.49Å; Y593-I597 PolarHBondContact O-N 2.89Å; T594-I597 PolarHBondContact O-N 3.44Å; I597-L600 PolarHBondContact O-N 3.14Å; I597-K601 HydrophobicContact CG2-CD 4.06Å; I597-K601 HydrophobicContact CG2-CG 4.5Å; I597-K601 WeakPolarHBondContact O-CB 3.49Å; I597-K601 VanDerWaalsContact O-CG 3.29Å; I597-K601 WeakPolarHBondContact O-CG 3.24Å; I597-K601 PolarHBondContact O-N 3.4Å; I597-L618 HydrophobicContact CB-CD1 4.31Å; I597-L618 HydrophobicContact CG1-CD1 4.2Å; I597-L618 HydrophobicContact CG2-CD1 4.08Å; I597-V621 HydrophobicContact CD1-CG1 4.33Å; I597-V621 HydrophobicContact CG1-CG1 3.8Å; I597-Q622 HydrophobicContact CD1-CG 3.89Å; I597-Q622 HydrophobicContact CG1-CG 3.94Å; I597-N625 HydrophobicContact CD1-CB 4Å
598D93.8Very high89.9Confident99 Ų9954.9 Ų54.953%0.52929%0.29SS..Hα-helixtrans-66-45.4-178.3-66.3-24.2000111.5T594 A595 A596 K601 Y602T594-D598 PolarHBondContact O-N 3.01Å; A595-D598 PolarHBondContact O-N 3.23Å; A596-D598 VanDerWaalsContact C-N 3.31Å; A596-D598 PolarHBondContact O-N 2.99Å; D598-K601 PolarHBondContact O-N 2.96Å; D598-Y602 WeakPolarHBondContact O-CB 3.24Å; D598-Y602 PolarHBondContact O-N 3.37Å
599H94.1Very high88.3Confident50 Ų5064.9 Ų64.923%0.23133%0.327CS..Hα-helixtrans-70-35.5176.3-71.2-55.7000113.7H580 L583 A595 A596 Y602 S603H580-H599 AromaticContact CE1-ND1 3.69Å; H580-H599 AromaticContact ND1-ND1 3.18Å; H580-H599 PolarHBondContact ND1-ND1 3.34Å; H580-H599 VanDerWaalsContact ND1-ND1 3.18Å; L583-H599 WeakPolarHBondContact CD2-NE2 3.45Å; A595-H599 PolarHBondContact O-CD2 3.37Å; A595-H599 VanDerWaalsContact O-CD2 3.28Å; A595-H599 PolarHBondContact O-N 3.46Å; A596-H599 PolarHBondContact O-N 3.25Å; H599-Y602 PolarHBondContact O-N 2.88Å; H599-S603 WeakPolarHBondContact O-CB 3.26Å; H599-S603 PolarHBondContact O-N 3.14Å
600L92.9Very high86.6Confident0 Ų069.8 Ų69.80%036%0.357CS..Hα-helixtrans-68-35.8175.6-69169.6000112.2Y581 A596 I597 L604 I614 L617 L618 V621Y581-L600 HydrophobicContact CD2-CD2 3.88Å; Y581-L600 HydrophobicContact CE2-CD2 4.44Å; A596-L600 WeakPolarHBondContact O-CB 3.44Å; A596-L600 WeakPolarHBondContact O-CD1 3.4Å; A596-L600 WeakPolarHBondContact O-CG 3.49Å; A596-L600 PolarHBondContact O-N 3.27Å; I597-L600 PolarHBondContact O-N 3.14Å; L600-L604 PolarHBondContact O-N 3.38Å; L600-I614 HydrophobicContact CB-CG2 4.15Å; L600-I614 HydrophobicContact CD2-CG2 3.81Å; L600-I614 WeakPolarHBondContact O-CG2 3.33Å; L600-L617 HydrophobicContact CD1-CD2 4.22Å; L600-L617 HydrophobicContact CD1-CG 3.96Å; L600-L617 HydrophobicContact CD2-CD2 3.75Å; L600-L617 HydrophobicContact CD2-CG 4.24Å; L600-L618 HydrophobicContact CB-CB 4.25Å; L600-L618 HydrophobicContact CB-CD1 3.96Å; L600-L618 HydrophobicContact CD1-CB 4.47Å; L600-V621 HydrophobicContact CD1-CB 4.39Å; L600-V621 HydrophobicContact CD1-CG2 4.14Å
601K92.9Very high85.8Confident87 Ų8768.1 Ų68.138%0.37834%0.343SS..Hα-helixtrans-65-49.5170.5-77.6172.8178.4173.40111.6I597 D598 S603 L604 E605 L618I597-K601 HydrophobicContact CG2-CD 4.06Å; I597-K601 HydrophobicContact CG2-CG 4.5Å; I597-K601 WeakPolarHBondContact O-CB 3.49Å; I597-K601 VanDerWaalsContact O-CG 3.29Å; I597-K601 WeakPolarHBondContact O-CG 3.24Å; I597-K601 PolarHBondContact O-N 3.4Å; D598-K601 PolarHBondContact O-N 2.96Å; K601-S603 VanDerWaalsContact C-N 3.27Å; K601-S603 PolarHBondContact O-N 2.94Å; K601-L604 CarbonylContact O-C 3.6Å; K601-L604 WeakPolarHBondContact O-CA 3.39Å; K601-L604 WeakPolarHBondContact O-CB 3.38Å; K601-L604 PolarHBondContact O-N 3.18Å; K601-E605 WeakPolarHBondContact O-CG 3.46Å; K601-E605 PolarHBondContact O-N 3.13Å; K601-L618 HydrophobicContact CG-CD1 4.26Å; K601-L618 HydrophobicContact CG-CD2 4Å
602Y91.8Very high85Confident84 Ų8467.9 Ų67.933%0.32934%0.341SS..Hα-helixtrans-61.9-36.9-178.6-166.2-110.3000111.7H580 D598 H599 L604 E605 L606H580-Y602 AromaticContact CD2-CD1 3.54Å; H580-Y602 AromaticContact CD2-CE1 3.82Å; H580-Y602 AromaticContact CE1-CD1 3.58Å; H580-Y602 AromaticContact CE1-CE1 3.87Å; H580-Y602 AromaticContact CG-CD1 3.81Å; H580-Y602 AromaticContact ND1-CD1 3.85Å; H580-Y602 AromaticContact NE2-CD1 3.38Å; H580-Y602 WeakPolarHBondContact NE2-CD1 3.5Å; H580-Y602 AromaticContact NE2-CE1 3.36Å; H580-Y602 WeakPolarHBondContact NE2-CE1 3.45Å; D598-Y602 WeakPolarHBondContact O-CB 3.24Å; D598-Y602 PolarHBondContact O-N 3.37Å; H599-Y602 PolarHBondContact O-N 2.88Å; Y602-L604 PolarHBondContact O-N 3.21Å; Y602-E605 PolarHBondContact O-N 3.35Å; Y602-L606 HydrophobicContact CD1-CD1 3.76Å; Y602-L606 HydrophobicContact CD1-CG 4.34Å; Y602-L606 HydrophobicContact CE1-CD1 3.71Å; Y602-L606 HydrophobicContact CE1-CD2 4.45Å; Y602-L606 HydrophobicContact CE1-CG 4.23Å; Y602-L606 VanDerWaalsContact O-CG 3.27Å; Y602-L606 WeakPolarHBondContact O-CG 3.29Å; Y602-L606 PolarHBondContact O-N 3.32Å
603S89.9Confident84.3Confident0 Ų067.5 Ų67.50%034%0.339CS..Hα-helixtrans-59.9-41.4170.9-1690000112.9P577 H599 K601 L606 E607 I614P577-S603 PolarHBondContact O-OG 3.37Å; H599-S603 WeakPolarHBondContact O-CB 3.26Å; H599-S603 PolarHBondContact O-N 3.14Å; K601-S603 VanDerWaalsContact C-N 3.27Å; K601-S603 PolarHBondContact O-N 2.94Å; S603-L606 PolarHBondContact O-N 3.1Å; S603-E607 PolarHBondContact O-N 3.34Å; S603-I614 WeakPolarHBondContact OG-CD1 3.5Å
604L88.2Confident83.9Confident34 Ų3464.2 Ų64.218%0.17833%0.326CS..Hα-helixtrans-72.4-26.6173.6-77.3165.3000114.1L600 K601 Y602 E607 P608 R611 I614 L618L600-L604 PolarHBondContact O-N 3.38Å; K601-L604 CarbonylContact O-C 3.6Å; K601-L604 WeakPolarHBondContact O-CA 3.39Å; K601-L604 WeakPolarHBondContact O-CB 3.38Å; K601-L604 PolarHBondContact O-N 3.18Å; Y602-L604 PolarHBondContact O-N 3.21Å; L604-E607 CarbonylContact O-C 3.58Å; L604-P608 VanDerWaalsContact O-CA 3.27Å; L604-P608 WeakPolarHBondContact O-CA 3.48Å; L604-R611 HydrophobicContact CD2-CB 3.77Å; L604-I614 HydrophobicContact CD1-CB 4.33Å; L604-I614 HydrophobicContact CD1-CG2 3.91Å; L604-I614 HydrophobicContact CD2-CB 4.03Å; L604-I614 HydrophobicContact CD2-CD1 4.38Å; L604-I614 HydrophobicContact CD2-CG2 4.36Å; L604-I614 HydrophobicContact CG-CB 4Å; L604-I614 HydrophobicContact CG-CD1 4.39Å; L604-I614 HydrophobicContact CG-CG2 3.76Å; L604-L618 HydrophobicContact CD1-CD2 3.71Å
605E88.1Confident83.6Confident138 Ų13863.1 Ų63.165%0.64532%0.322SS*.Hα-helixtrans-73.8-36.3174-72.7169-173.700111.2K601 Y602K601-E605 WeakPolarHBondContact O-CG 3.46Å; K601-E605 PolarHBondContact O-N 3.13Å; Y602-E605 PolarHBondContact O-N 3.35Å
606L85.4Confident83.1Confident61 Ų6170.2 Ų70.232%0.31934%0.343SS..Hα-helixtrans-71.5-44173.7-66.9166.6000112.1P577 Y602 S603P577-L606 HydrophobicContact CB-CB 4.18Å; P577-L606 HydrophobicContact CG-CB 3.94Å; Y602-L606 HydrophobicContact CD1-CD1 3.76Å; Y602-L606 HydrophobicContact CD1-CG 4.34Å; Y602-L606 HydrophobicContact CE1-CD1 3.71Å; Y602-L606 HydrophobicContact CE1-CD2 4.45Å; Y602-L606 HydrophobicContact CE1-CG 4.23Å; Y602-L606 VanDerWaalsContact O-CG 3.27Å; Y602-L606 WeakPolarHBondContact O-CG 3.29Å; Y602-L606 PolarHBondContact O-N 3.32Å; S603-L606 PolarHBondContact O-N 3.1Å
607E79.4Confident82.8Confident72 Ų7270.4 Ų70.434%0.33634%0.344SS..  trans-127.186.7176.2-163.6-175.9-166.700112.8P577 S603 L604 R609 R611P577-E607 HydrophobicContact CB-CB 4.08Å; P577-E607 HydrophobicContact CG-CB 3.99Å; S603-E607 PolarHBondContact O-N 3.34Å; L604-E607 CarbonylContact O-C 3.58Å; E607-R609 VanDerWaalsContact C-N 3.29Å; E607-R609 PolarHBondContact O-N 3.04Å; E607-R611 HydrophobicContact CB-CG 4.27Å; E607-R611 HydrophobicContact CG-CG 4.18Å; E607-R611 VanDerWaalsContact O-CG 3.31Å; E607-R611 WeakPolarHBondContact O-CG 3.01Å; E607-R611 VanDerWaalsContact OE2-CD 3.31Å; E607-R611 WeakPolarHBondContact OE2-CD 3.48Å; E607-R611 IonicContact OE2-CZ 2.6Å; E607-R611 IonicContact OE2-NE 2.71Å; E607-R611 IonicContact OE2-NH1 2.76Å; E607-R611 PolarHBondContact OE2-NH1 3.46Å
608P71.2Confident82.6Confident103 Ų10370.6 Ų70.667%0.66935%0.345SS*.  trans-79.1-5-177.629.8-35.8000114.6L604L604-P608 VanDerWaalsContact O-CA 3.27Å; L604-P608 WeakPolarHBondContact O-CA 3.48Å
609R59.4Low82.3Confident212 Ų21269.6 Ų69.680%0.834%0.336SS*.SBendtrans-96.1129.8-177.2-69.1-174178.9-174.91111.2E607 R611E607-R609 VanDerWaalsContact C-N 3.29Å; E607-R609 PolarHBondContact O-N 3.04Å; R609-R611 PolarHBondContact O-N 2.97Å
610N54.2Low81.8Confident169 Ų16967.3 Ų67.390%0.90433%0.325SS*.SBendtrans5911.9167.3-146.114.1000117.5G612N610-G612 VanDerWaalsContact C-N 3.26Å; N610-G612 PolarHBondContact O-N 3.49Å
611R75.3Confident81.6Confident30 Ų3067.3 Ų67.311%0.11333%0.325CS..  trans-84.956.6177-59.3-53.6-67.9-96.65.3113.5E578 Y581 L604 E607 R609 D613 I614 S615E578-R611 IonicContact OE2-CZ 3.85Å; E578-R611 IonicContact OE2-NH1 3.17Å; E578-R611 PolarHBondContact OE2-NH1 3.36Å; E578-R611 IonicContact OE2-NH2 3.03Å; Y581-R611 VanDerWaalsContact CD1-NH2 3.3Å; L604-R611 HydrophobicContact CD2-CB 3.77Å; E607-R611 HydrophobicContact CB-CG 4.27Å; E607-R611 HydrophobicContact CG-CG 4.18Å; E607-R611 VanDerWaalsContact O-CG 3.31Å; E607-R611 WeakPolarHBondContact O-CG 3.01Å; E607-R611 VanDerWaalsContact OE2-CD 3.31Å; E607-R611 WeakPolarHBondContact OE2-CD 3.48Å; E607-R611 IonicContact OE2-CZ 2.6Å; E607-R611 IonicContact OE2-NE 2.71Å; E607-R611 IonicContact OE2-NH1 2.76Å; E607-R611 PolarHBondContact OE2-NH1 3.46Å; R609-R611 PolarHBondContact O-N 2.97Å; R611-D613 WeakPolarHBondContact CA-OD1 3.45Å; R611-D613 IonicContact NE-OD1 2.59Å; R611-D613 PolarHBondContact NE-OD1 3.21Å; R611-D613 IonicContact NH2-OD2 2.78Å; R611-D613 PolarHBondContact O-N 2.98Å; R611-I614 HydrophobicContact CB-CB 4.39Å; R611-I614 HydrophobicContact CB-CD1 3.83Å; R611-I614 HydrophobicContact CB-CG1 4.07Å; R611-I614 HydrophobicContact CG-CD1 3.98Å; R611-I614 PolarHBondContact O-N 3.48Å; R611-S615 PolarHBondContact O-N 2.99Å; R611-S615 VanDerWaalsContact O-N 3.08Å; R611-S615 PolarHBondContact O-OG 3.42Å
612G72.7Confident81.4Confident31 Ų3165.4 Ų65.432%0.3232%0.318SS..Hα-helixtrans-65.2-23.1176.300000113.4N610 R616N610-G612 VanDerWaalsContact C-N 3.26Å; N610-G612 PolarHBondContact O-N 3.49Å; G612-R616 VanDerWaalsContact O-CG 3.28Å; G612-R616 WeakPolarHBondContact O-CG 3.42Å; G612-R616 PolarHBondContact O-N 2.85Å; G612-R616 VanDerWaalsContact O-N 3.08Å
613D76.8Confident81Confident58 Ų5863.3 Ų63.331%0.3131%0.312SS..Hα-helixtrans-68-52173.865.8-35.6000112.1Y581 R611 S615 R616 L617Y581-D613 WeakPolarHBondContact CE1-OD2 3.48Å; Y581-D613 PolarHBondContact OH-OD2 2.86Å; R611-D613 WeakPolarHBondContact CA-OD1 3.45Å; R611-D613 IonicContact NE-OD1 2.59Å; R611-D613 PolarHBondContact NE-OD1 3.21Å; R611-D613 IonicContact NH2-OD2 2.78Å; R611-D613 PolarHBondContact O-N 2.98Å; D613-S615 VanDerWaalsContact C-N 3.32Å; D613-S615 PolarHBondContact O-N 3.45Å; D613-R616 PolarHBondContact O-N 3.15Å; D613-L617 PolarHBondContact O-N 3.28Å
614I85.5Confident80.8Confident0 Ų065.1 Ų65.10%032%0.323CS..Hα-helixtrans-61.9-43.8174.7-48.4174.4000109.7Y581 L600 S603 L604 R611 R616 L617 L618Y581-I614 HydrophobicContact CD1-CG1 4.33Å; Y581-I614 HydrophobicContact CD2-CB 4.46Å; Y581-I614 HydrophobicContact CD2-CG1 3.79Å; Y581-I614 HydrophobicContact CD2-CG2 4.37Å; Y581-I614 HydrophobicContact CE1-CG1 4.47Å; Y581-I614 HydrophobicContact CE2-CB 4.49Å; Y581-I614 HydrophobicContact CE2-CG1 3.98Å; Y581-I614 HydrophobicContact CG-CD1 4.38Å; Y581-I614 HydrophobicContact CG-CG1 3.96Å; L600-I614 HydrophobicContact CB-CG2 4.15Å; L600-I614 HydrophobicContact CD2-CG2 3.81Å; L600-I614 WeakPolarHBondContact O-CG2 3.33Å; S603-I614 WeakPolarHBondContact OG-CD1 3.5Å; L604-I614 HydrophobicContact CD1-CB 4.33Å; L604-I614 HydrophobicContact CD1-CG2 3.91Å; L604-I614 HydrophobicContact CD2-CB 4.03Å; L604-I614 HydrophobicContact CD2-CD1 4.38Å; L604-I614 HydrophobicContact CD2-CG2 4.36Å; L604-I614 HydrophobicContact CG-CB 4Å; L604-I614 HydrophobicContact CG-CD1 4.39Å; L604-I614 HydrophobicContact CG-CG2 3.76Å; R611-I614 HydrophobicContact CB-CB 4.39Å; R611-I614 HydrophobicContact CB-CD1 3.83Å; R611-I614 HydrophobicContact CB-CG1 4.07Å; R611-I614 HydrophobicContact CG-CD1 3.98Å; R611-I614 PolarHBondContact O-N 3.48Å; I614-R616 VanDerWaalsContact C-N 3.33Å; I614-R616 PolarHBondContact O-N 3.13Å; I614-L617 PolarHBondContact O-N 3.12Å; I614-L617 VanDerWaalsContact O-N 3.14Å; I614-L618 WeakPolarHBondContact O-CB 3.49Å; I614-L618 PolarHBondContact O-N 3.26Å
615S84.1Confident80.8Confident58 Ų5866.8 Ų66.841%0.40633%0.332SS..Hα-helixtrans-59.4-41.5-178.9-61.30000112.6R611 D613 K619R611-S615 PolarHBondContact O-N 2.99Å; R611-S615 VanDerWaalsContact O-N 3.08Å; R611-S615 PolarHBondContact O-OG 3.42Å; D613-S615 VanDerWaalsContact C-N 3.32Å; D613-S615 PolarHBondContact O-N 3.45Å; S615-K619 WeakPolarHBondContact O-CB 3.25Å; S615-K619 PolarHBondContact O-N 3.46Å; S615-K619 VanDerWaalsContact O-N 3.13Å
616R83.1Confident80.5Confident173 Ų17366.8 Ų66.865%0.65334%0.335SS*.Hα-helixtrans-65.5-47.2172.7-72.8176.4-151.4135.83.9111.6L440 G612 D613 I614 L618 K619 S620L440-R616 HydrophobicContact CD2-CB 4.33Å; G612-R616 VanDerWaalsContact O-CG 3.28Å; G612-R616 WeakPolarHBondContact O-CG 3.42Å; G612-R616 PolarHBondContact O-N 2.85Å; G612-R616 VanDerWaalsContact O-N 3.08Å; D613-R616 PolarHBondContact O-N 3.15Å; I614-R616 VanDerWaalsContact C-N 3.33Å; I614-R616 PolarHBondContact O-N 3.13Å; R616-L618 PolarHBondContact O-N 3.46Å; R616-K619 PolarHBondContact O-N 2.83Å; R616-S620 PolarHBondContact O-N 3.2Å; R616-S620 PolarHBondContact O-OG 3.34Å
617L86.6Confident80.1Confident5 Ų566.7 Ų66.73%0.02635%0.349CS..Hα-helixtrans-61.4-44.9179.7-179.759.8000111.7I442 Y581 Y585 L600 D613 I614 K619 S620 V621I442-L617 HydrophobicContact CB-CD1 4.4Å; I442-L617 HydrophobicContact CG1-CD1 4.29Å; I442-L617 HydrophobicContact CG2-CD1 4.06Å; Y581-L617 HydrophobicContact CD2-CD2 4.33Å; Y581-L617 HydrophobicContact CE2-CD2 3.76Å; Y585-L617 HydrophobicContact CD2-CD2 4.13Å; L600-L617 HydrophobicContact CD1-CD2 4.22Å; L600-L617 HydrophobicContact CD1-CG 3.96Å; L600-L617 HydrophobicContact CD2-CD2 3.75Å; L600-L617 HydrophobicContact CD2-CG 4.24Å; D613-L617 PolarHBondContact O-N 3.28Å; I614-L617 PolarHBondContact O-N 3.12Å; I614-L617 VanDerWaalsContact O-N 3.14Å; L617-K619 VanDerWaalsContact C-N 3.31Å; L617-K619 PolarHBondContact O-N 2.91Å; L617-S620 WeakPolarHBondContact O-CB 3.34Å; L617-S620 PolarHBondContact O-N 3.03Å; L617-V621 HydrophobicContact CD1-CG2 3.89Å; L617-V621 HydrophobicContact CG-CG2 4.23Å; L617-V621 WeakPolarHBondContact O-CB 3.31Å; L617-V621 VanDerWaalsContact O-CG2 3.25Å; L617-V621 WeakPolarHBondContact O-CG2 3.47Å; L617-V621 PolarHBondContact O-N 3.35Å
618L90.5Very high79.9Confident19 Ų1966 Ų6610%0.09935%0.349CS..Hα-helixtrans-57.4-43.8175.5177.659.6000111.1I597 L600 K601 L604 I614 R616 V621 Q622I597-L618 HydrophobicContact CB-CD1 4.31Å; I597-L618 HydrophobicContact CG1-CD1 4.2Å; I597-L618 HydrophobicContact CG2-CD1 4.08Å; L600-L618 HydrophobicContact CB-CB 4.25Å; L600-L618 HydrophobicContact CB-CD1 3.96Å; L600-L618 HydrophobicContact CD1-CB 4.47Å; K601-L618 HydrophobicContact CG-CD1 4.26Å; K601-L618 HydrophobicContact CG-CD2 4Å; L604-L618 HydrophobicContact CD1-CD2 3.71Å; I614-L618 WeakPolarHBondContact O-CB 3.49Å; I614-L618 PolarHBondContact O-N 3.26Å; R616-L618 PolarHBondContact O-N 3.46Å; L618-V621 PolarHBondContact O-N 3.03Å; L618-Q622 HydrophobicContact CD1-CG 4.11Å; L618-Q622 WeakPolarHBondContact O-CB 3.28Å; L618-Q622 WeakPolarHBondContact O-CG 3.27Å; L618-Q622 PolarHBondContact O-N 2.88Å
619K85.6Confident79.6Confident78 Ų7867.4 Ų67.434%0.33936%0.356SS..Hα-helixtrans-64.6-44.4176.6-164.8174.6179.8177.90112L440 S615 R616 L617 M623 F634L440-K619 HydrophobicContact CD1-CB 4.26Å; L440-K619 HydrophobicContact CD1-CD 3.85Å; L440-K619 HydrophobicContact CD1-CG 3.72Å; L440-K619 HydrophobicContact CD2-CB 4.33Å; L440-K619 HydrophobicContact CD2-CD 4.45Å; S615-K619 WeakPolarHBondContact O-CB 3.25Å; S615-K619 PolarHBondContact O-N 3.46Å; S615-K619 VanDerWaalsContact O-N 3.13Å; R616-K619 PolarHBondContact O-N 2.83Å; L617-K619 VanDerWaalsContact C-N 3.31Å; L617-K619 PolarHBondContact O-N 2.91Å; K619-M623 HydrophobicContact CG-CE 4.08Å; K619-M623 HydrophobicContact CG-SD 4.48Å; K619-M623 WeakPolarHBondContact O-CG 3.5Å; K619-M623 PolarHBondContact O-N 2.91Å; K619-M623 VanDerWaalsContact O-N 3.11Å; K619-F634 VanDerWaalsContact NZ-CZ 3.29Å
620S85.2Confident79.8Confident1 Ų164.2 Ų64.21%0.00736%0.355CS..Hα-helixtrans-57.4-50.5173.2-60.20000111.6S441 R616 L617 M623 V624S441-S620 PolarHBondContact N-OG 3.3Å; S441-S620 VanDerWaalsContact O-CB 3.31Å; S441-S620 WeakPolarHBondContact O-CB 3.04Å; S441-S620 PolarHBondContact O-OG 3.04Å; R616-S620 PolarHBondContact O-N 3.2Å; R616-S620 PolarHBondContact O-OG 3.34Å; L617-S620 WeakPolarHBondContact O-CB 3.34Å; L617-S620 PolarHBondContact O-N 3.03Å; S620-M623 PolarHBondContact O-N 3.04Å; S620-V624 WeakPolarHBondContact O-CG2 3.44Å; S620-V624 PolarHBondContact O-N 3.38Å
621V88.5Confident80.5Confident0 Ų057.8 Ų57.80%032%0.32CS..Hα-helixtrans-66.3-40.1-177.3174.70000111.6I442 A588 Y593 A596 I597 L600 L617 L618 M623 V624 N625I442-V621 HydrophobicContact CD1-CG2 4.14Å; I442-V621 HydrophobicContact CG1-CG2 4.19Å; A588-V621 HydrophobicContact CB-CG2 3.53Å; Y593-V621 HydrophobicContact CD1-CG1 4.07Å; Y593-V621 HydrophobicContact CG-CG1 4.42Å; A596-V621 HydrophobicContact CB-CG1 3.96Å; I597-V621 HydrophobicContact CD1-CG1 4.33Å; I597-V621 HydrophobicContact CG1-CG1 3.8Å; L600-V621 HydrophobicContact CD1-CB 4.39Å; L600-V621 HydrophobicContact CD1-CG2 4.14Å; L617-V621 HydrophobicContact CD1-CG2 3.89Å; L617-V621 HydrophobicContact CG-CG2 4.23Å; L617-V621 WeakPolarHBondContact O-CB 3.31Å; L617-V621 VanDerWaalsContact O-CG2 3.25Å; L617-V621 WeakPolarHBondContact O-CG2 3.47Å; L617-V621 PolarHBondContact O-N 3.35Å; L618-V621 PolarHBondContact O-N 3.03Å; V621-M623 PolarHBondContact O-N 3.34Å; V621-V624 PolarHBondContact O-N 2.95Å; V621-N625 VanDerWaalsContact O-CB 3.23Å; V621-N625 WeakPolarHBondContact O-CB 3.48Å; V621-N625 PolarHBondContact O-N 3.48Å
622Q89.2Confident79.8Confident47 Ų4758.5 Ų58.522%0.2233%0.329CS..Hα-helixtrans-59.8-44.1174-77.2173.7-0.400112I597 L618 N625 L626I597-Q622 HydrophobicContact CD1-CG 3.89Å; I597-Q622 HydrophobicContact CG1-CG 3.94Å; L618-Q622 HydrophobicContact CD1-CG 4.11Å; L618-Q622 WeakPolarHBondContact O-CB 3.28Å; L618-Q622 WeakPolarHBondContact O-CG 3.27Å; L618-Q622 PolarHBondContact O-N 2.88Å; Q622-N625 PolarHBondContact O-N 3.15Å; Q622-L626 VanDerWaalsContact O-CG 3.29Å; Q622-L626 WeakPolarHBondContact O-CG 3.44Å; Q622-L626 PolarHBondContact O-N 3.07Å; Q622-L626 VanDerWaalsContact O-N 3.1Å
623M82.6Confident79Confident41 Ų4159.8 Ų59.820%0.20233%0.332CS..Hα-helixtrans-67.6-42.8178.7-72.8176.6174.100112.2L440 K619 S620 V621 N625 L626 G627 V628 L631 P632L440-M623 HydrophobicContact CD1-CE 4.16Å; L440-M623 HydrophobicContact CD1-SD 3.59Å; L440-M623 VanDerWaalsContact CD1-SD 3.59Å; K619-M623 HydrophobicContact CG-CE 4.08Å; K619-M623 HydrophobicContact CG-SD 4.48Å; K619-M623 WeakPolarHBondContact O-CG 3.5Å; K619-M623 PolarHBondContact O-N 2.91Å; K619-M623 VanDerWaalsContact O-N 3.11Å; S620-M623 PolarHBondContact O-N 3.04Å; V621-M623 PolarHBondContact O-N 3.34Å; M623-N625 VanDerWaalsContact C-N 3.35Å; M623-N625 PolarHBondContact O-N 3.32Å; M623-L626 CarbonylContact O-C 3.45Å; M623-L626 PolarHBondContact O-N 3.09Å; M623-L626 VanDerWaalsContact O-N 3.15Å; M623-G627 PolarHBondContact O-N 3.38Å; M623-V628 HydrophobicContact CB-CB 4.11Å; M623-V628 HydrophobicContact CB-CG2 4.24Å; M623-V628 VanDerWaalsContact O-CB 3.3Å; M623-V628 WeakPolarHBondContact O-CB 3.49Å; M623-V628 WeakPolarHBondContact O-CG2 3.5Å; M623-V628 PolarHBondContact O-N 2.62Å; M623-L631 HydrophobicContact CB-CD2 3.4Å; M623-L631 HydrophobicContact CG-CD2 4.3Å; M623-L631 HydrophobicContact SD-CD2 4.01Å; M623-P632 HydrophobicContact CE-CG 3.81Å; M623-P632 WeakPolarHBondContact SD-CD 3.49Å; M623-P632 HydrophobicContact SD-CG 3.63Å
624V85.7Confident77.6Confident38 Ų3860.9 Ų60.923%0.2333%0.334CS..Hα-helixtrans-63.9-39.9174.8177.40000111.3I442 Y593 S620 V621 L626 G627 L631I442-V624 HydrophobicContact CD1-CG2 4.34Å; Y593-V624 HydrophobicContact CD1-CG1 4.39Å; Y593-V624 HydrophobicContact CD2-CG1 4.28Å; Y593-V624 HydrophobicContact CE1-CB 4.5Å; Y593-V624 HydrophobicContact CE1-CG1 3.77Å; Y593-V624 HydrophobicContact CE2-CG1 3.66Å; S620-V624 WeakPolarHBondContact O-CG2 3.44Å; S620-V624 PolarHBondContact O-N 3.38Å; V621-V624 PolarHBondContact O-N 2.95Å; V624-L626 PolarHBondContact O-N 3.28Å; V624-G627 PolarHBondContact O-N 2.83Å; V624-L631 HydrophobicContact CG2-CD1 4.06Å; V624-L631 HydrophobicContact CG2-CD2 4.2Å; V624-L631 HydrophobicContact CG2-CG 4.37Å
625N88.1Confident75.4Confident68 Ų6862.7 Ų62.736%0.36435%0.353SS..Hα-helixtrans-63.2-26.1174.8-169.757.3000113.3Y593 I597 V621 Q622 M623 G627Y593-N625 HydrophobicContact CG-CB 4.37Å; I597-N625 HydrophobicContact CD1-CB 4Å; V621-N625 VanDerWaalsContact O-CB 3.23Å; V621-N625 WeakPolarHBondContact O-CB 3.48Å; V621-N625 PolarHBondContact O-N 3.48Å; Q622-N625 PolarHBondContact O-N 3.15Å; M623-N625 VanDerWaalsContact C-N 3.35Å; M623-N625 PolarHBondContact O-N 3.32Å; N625-G627 VanDerWaalsContact C-N 3.31Å
626L82.1Confident73.1Confident139 Ų13964.4 Ų64.473%0.72836%0.363SS*.THydrogen-bonded Turntrans-86.42.3173.5-69.2168.8000113.2Q622 M623 V624Q622-L626 VanDerWaalsContact O-CG 3.29Å; Q622-L626 WeakPolarHBondContact O-CG 3.44Å; Q622-L626 PolarHBondContact O-N 3.07Å; Q622-L626 VanDerWaalsContact O-N 3.1Å; M623-L626 CarbonylContact O-C 3.45Å; M623-L626 PolarHBondContact O-N 3.09Å; M623-L626 VanDerWaalsContact O-N 3.15Å; V624-L626 PolarHBondContact O-N 3.28Å
627G77.4Confident70.9Confident58 Ų5862.6 Ų62.660%0.59837%0.366SS*.THydrogen-bonded Turntrans83.615.1178.600000115M623 V624 N625 V629M623-G627 PolarHBondContact O-N 3.38Å; V624-G627 PolarHBondContact O-N 2.83Å; N625-G627 VanDerWaalsContact C-N 3.31Å; G627-V629 PolarHBondContact O-N 3.2Å
628V73.5Confident68.4Low57 Ų5767.6 Ų67.635%0.34541%0.408SS..  trans-74.4106.1177.5-177.60000109.8M623 N630M623-V628 HydrophobicContact CB-CB 4.11Å; M623-V628 HydrophobicContact CB-CG2 4.24Å; M623-V628 VanDerWaalsContact O-CB 3.3Å; M623-V628 WeakPolarHBondContact O-CB 3.49Å; M623-V628 WeakPolarHBondContact O-CG2 3.5Å; M623-V628 PolarHBondContact O-N 2.62Å; V628-N630 WeakPolarHBondContact CG1-O 3.4Å
629V64.9Low65.7Low134 Ų13471.9 Ų71.981%0.81244%0.439SS*.SBendtrans-73.9-38.7-179.2-176.30000112.1G627G627-V629 PolarHBondContact O-N 3.2Å
630N65.4Low63Low144 Ų14476.2 Ų76.277%0.7746%0.461SS*.SBendtrans-104.796.9179.1-68.5-21.5000109.4V628V628-N630 WeakPolarHBondContact CG1-O 3.4Å
631L68.4Low60.3Low35 Ų3585.7 Ų85.718%0.18350%0.502CS..  trans-65.1134.9177.6-74.9173.3000110.9L440 M623 V624L440-L631 HydrophobicContact CB-CB 4Å; L440-L631 HydrophobicContact CB-CD1 4.4Å; L440-L631 HydrophobicContact CB-CD2 4.44Å; L440-L631 WeakPolarHBondContact O-CB 3.18Å; L440-L631 VanDerWaalsContact O-CD1 3.27Å; L440-L631 WeakPolarHBondContact O-CD1 2.99Å; M623-L631 HydrophobicContact CB-CD2 3.4Å; M623-L631 HydrophobicContact CG-CD2 4.3Å; M623-L631 HydrophobicContact SD-CD2 4.01Å; V624-L631 HydrophobicContact CG2-CD1 4.06Å; V624-L631 HydrophobicContact CG2-CD2 4.2Å; V624-L631 HydrophobicContact CG2-CG 4.37Å
632P60.8Low57.4Low45 Ų4589.7 Ų89.729%0.29254%0.535SS..  trans-71.2154-175.229.3-34.5000111.6L440 M623 F634L440-P632 HydrophobicContact CD1-CG 4.09Å; L440-P632 PolarHBondContact N-O 2.91Å; M623-P632 HydrophobicContact CE-CG 3.81Å; M623-P632 WeakPolarHBondContact SD-CD 3.49Å; M623-P632 HydrophobicContact SD-CG 3.63Å; P632-F634 HydrophobicContact CG-CZ 4.32Å
633C54.6Low54.6Low58 Ų5893.5 Ų93.539%0.39256%0.562SS.*EExtended strand (participates in β ladder)trans-118.8139.3179.1-41.20000111.5I437 T438 C439I437-C633 HydrophobicContact CG2-CB 3.23Å; T438-C633 CarbonylContact O-C 3.51Å; T438-C633 WeakPolarHBondContact O-CA 3.45Å; C439-C633 WeakPolarHBondContact CA-SG 3.06Å; C439-C633 HydrophobicContact CB-CB 3.85Å; C439-C633 WeakPolarHBondContact CB-SG 3.4Å; C439-C633 WeakPolarHBondContact SG-CB 3.33Å; C439-C633 CovalentContact SG-SG 2.04Å; C439-C633 PolarHBondContact SG-SG 2.75Å
634F48.9Very low51.9Low81 Ų8196.9 Ų96.936%0.35559%0.588SS.*EExtended strand (participates in β ladder)trans-106.2122.7-176.5-58.9-77.6000110.1T438 L440 K619 P632T438-F634 PolarHBondContact N-O 3.32Å; T438-F634 PolarHBondContact O-N 3.47Å; T438-F634 PolarHBondContact OG1-O 2.86Å; L440-F634 HydrophobicContact CD1-CE2 3.87Å; L440-F634 HydrophobicContact CD1-CZ 4.49Å; L440-F634 HydrophobicContact CG-CE2 3.9Å; K619-F634 VanDerWaalsContact NZ-CZ 3.29Å; P632-F634 HydrophobicContact CG-CZ 4.32Å
635G38.7Very low49Very low37 Ų37100.7 Ų100.738%0.38162%0.617SS.*  trans-89.4165.9166.600000111.5N637G635-N637 PolarHBondContact O-N 3.4Å
636P35.7Very low46.3Very low95 Ų95102.7 Ų102.762%0.61764%0.636SS**SBendtrans-69.9-10.7-175.726.8-34.9000115.5
637N37.4Very low43.5Very low134 Ų134101.6 Ų101.672%0.71764%0.64SS**SBendtrans-108.298.7176.2-68.5-2.9000109.7G635 S639G635-N637 PolarHBondContact O-N 3.4Å; N637-S639 PolarHBondContact O-N 3Å
638A32.9Very low41.1Very low111 Ų111103.8 Ų103.892%0.91765%0.646SS**THydrogen-bonded Turntrans-78.339.7-167.600000115.7
639S33.4Very low38.8Very low108 Ų108106.2 Ų106.276%0.75567%0.666SS**THydrogen-bonded Turntrans-130.4-1.5-178.4590000115.7N637N637-S639 PolarHBondContact O-N 3Å
640E29.2Very low37Very low169 Ų169105.6 Ų105.679%0.7967%0.668SS**  trans-125.1109.5178.2-68.9-176.5156.800111.6A642E640-A642 VanDerWaalsContact C-N 3.3Å; E640-A642 PolarHBondContact O-N 2.98Å
641F29.1Very low35.2Very low200 Ų200108.3 Ų108.388%0.87767%0.672SS**  trans-73.882.5168.4-91.2-87.8000110.1T643F641-T643 PolarHBondContact O-N 3.26Å
642A27.7Very low33.4Very low84 Ų84115.8 Ų115.869%0.69470%0.703SS**  trans-75.988.5172.800000111.1E640 C644E640-A642 VanDerWaalsContact C-N 3.3Å; E640-A642 PolarHBondContact O-N 2.98Å; A642-C644 PolarHBondContact O-N 3.41Å
643T30.1Very low31.7Very low128 Ų128121.7 Ų121.779%0.78573%0.732SS**  trans-7094.7163.849.40000109.4F641 S645F641-T643 PolarHBondContact O-N 3.26Å; T643-S645 PolarHBondContact O-N 3.21Å
644C26.8Very low30.7Very low111 Ų111122.6 Ų122.675%0.7574%0.739SS**  trans-65.692.4173.5-77.90000111.3A642 S646A642-C644 PolarHBondContact O-N 3.41Å; C644-S646 VanDerWaalsContact C-N 3.32Å; C644-S646 PolarHBondContact O-N 2.93Å; C644-S646 VanDerWaalsContact O-N 3.07Å
645S24.6Very low30.1Very low118 Ų118126 Ų12683%0.82576%0.761SS**  trans-75.282163.658.60000109.9T643T643-S645 PolarHBondContact O-N 3.21Å
646S30.2Very low29.7Very low110 Ų110135.1 Ų135.177%0.76978%0.784SS**  trans-88106.8167.251.60000110.5C644 S648C644-S646 VanDerWaalsContact C-N 3.32Å; C644-S646 PolarHBondContact O-N 2.93Å; C644-S646 VanDerWaalsContact O-N 3.07Å; S646-S648 PolarHBondContact O-N 3.24Å
647S24.9Very low29.4Very low117 Ų117137.2 Ų137.282%0.81879%0.789SS**  trans-64.9111.8171.1520000112.2
648S25.8Very low29.1Very low103 Ų103137.9 Ų137.972%0.7279%0.793SS**  trans-173.8125.8140.553.70000113.3S646S646-S648 PolarHBondContact O-N 3.24Å
649S25Very low29Very low109 Ų109137.5 Ų137.576%0.76278%0.783SS**  trans44.7101.1148.556.80000120.3
650S28.1Very low28.8Very low121 Ų121141.6 Ų141.685%0.84679%0.79SS**  -17084.1117.837.90000113
651K26.7Very low28.8Very low201 Ų201136.7 Ų136.787%0.87479%0.785SS**  trans-66.8130.9157.5-77-177.7174.2178.70109
652K30.6Very low28.9Very low192 Ų192132.5 Ų132.584%0.83578%0.78SS**  trans-108.499.5154.1-93.6-173.6177.1175.60110.1S654K652-S654 PolarHBondContact O-N 3.36Å; K652-S654 PolarHBondContact O-OG 3.26Å
653L26.5Very low29Very low169 Ų169135.1 Ų135.189%0.88578%0.782SS**THydrogen-bonded Turntrans22.8-16.3146.4-124.672.6000124.9
654S33.3Very low29.1Very low77 Ų77133.8 Ų133.854%0.53878%0.775SS.*THydrogen-bonded Turntrans-81.3-35.2-171.148.70000114.5K652 W656K652-S654 PolarHBondContact O-N 3.36Å; K652-S654 PolarHBondContact O-OG 3.26Å; S654-W656 PolarHBondContact O-N 2.85Å; S654-W656 VanDerWaalsContact O-N 3.12Å
655D35.8Very low29.2Very low153 Ų153140 Ų14082%0.81878%0.782SS**SBendtrans-88.313.1-162.9-52.7-9.1000112.4L657D655-L657 PolarHBondContact O-N 3.23Å
656W30.2Very low29.4Very low228 Ų228137.8 Ų137.886%0.86478%0.778SS**  trans-81.713.7-179.6-130.368.6000113.7S654S654-W656 PolarHBondContact O-N 2.85Å; S654-W656 VanDerWaalsContact O-N 3.12Å
657L29.2Very low29.4Very low139 Ų139141 Ų14173%0.72879%0.786SS**SBendtrans-114.1-10.2-158.6-96.5168.7000117.7D655D655-L657 PolarHBondContact O-N 3.23Å
658N32.2Very low29.5Very low148 Ų148144.8 Ų144.879%0.79179%0.791SS**SBendtrans-144.193.7176-70.5-70000113.4
659S29.6Very low29.6Very low102 Ų102144.5 Ų144.571%0.71379%0.789SS**  38.5142128.763.30000121.4
660E28.8Very low29.6Very low195 Ų195145.7 Ų145.791%0.91180%0.796SS**  cis-179.3159.7-16.2-123.2172.4-167.900107.5
661G30.7Very low29.6Very low65 Ų65146.4 Ų146.467%0.6779%0.79SS**  trans87.7105.1169.800000115.1
662S29.6Very low29.7Very low112 Ų112142.8 Ų142.878%0.78378%0.784SS**  76.3134.57473.40000113.3
663D31.5Very low29.6Very low139 Ų139139 Ų13974%0.74378%0.777SS**  cis-156.1156.216.6-138.7-36.9000114.8
664T30.7Very low29.7Very low101 Ų101138 Ų13862%0.6277%0.773SS**  trans-3.1139.5166.341.70000126.5
665R29Very low29.4Very low242 Ų242141.7 Ų141.791%0.91379%0.787SS**  trans77.1128.9132.2-73.8169.8176.9167.1-1.1121.9
666G28.8Very low29Very low71 Ų71137.9 Ų137.973%0.73278%0.783SS**  trans162.490153.100000116
667D31Very low29Very low176 Ų176134.7 Ų134.794%0.94178%0.782SS**  trans60.9153.9155.2-59.6-15.6000123.1
668E26.6Very low28.9Very low198 Ų198136.4 Ų136.493%0.92579%0.793SS**  trans-95117.5-170.4-59.5170.4138.200112.2
669S28.5Very low28.6Very low96 Ų96131.3 Ų131.367%0.67178%0.775SS**  trans-161123148.256.30000110.5D671S669-D671 VanDerWaalsContact C-N 3.3Å; S669-D671 PolarHBondContact O-N 3.44Å
670C24.6Very low28.5Very low134 Ų134137.7 Ų137.791%0.90579%0.785SS**  trans-75.480.3175.4-65.50000111.1V672C670-V672 PolarHBondContact O-N 3.34Å
671D27.6Very low28.3Very low137 Ų137134.1 Ų134.173%0.73377%0.772SS**  trans-72.7115162.8-88.4-33.6000109.5S669 T673S669-D671 VanDerWaalsContact C-N 3.3Å; S669-D671 PolarHBondContact O-N 3.44Å; D671-T673 PolarHBondContact O-N 2.93Å
672V28.3Very low28Very low124 Ų124137.7 Ų137.775%0.75278%0.781SS**  trans-77.389170.7-179.80000108.1C670 N674C670-V672 PolarHBondContact O-N 3.34Å; V672-N674 PolarHBondContact O-N 3.47Å; V672-N674 VanDerWaalsContact O-N 3.14Å
673T29.3Very low27.9Very low112 Ų112139.5 Ų139.569%0.68778%0.781SS**  trans-73.5100.8169.253.10000109.5D671 D675D671-T673 PolarHBondContact O-N 2.93Å; T673-D675 PolarHBondContact O-N 3.43Å
674N27.9Very low27.7Very low148 Ų148143.7 Ų143.779%0.79179%0.788SS**  trans-67.577.9167.6-78.6-17.6000110.4V672V672-N674 PolarHBondContact O-N 3.47Å; V672-N674 VanDerWaalsContact O-N 3.14Å
675D28.5Very low27.6Very low156 Ų156143.7 Ų143.783%0.83479%0.792SS**  trans-138.3109.9171.7-95-46.5000110T673T673-D675 PolarHBondContact O-N 3.43Å
676G27Very low27.4Very low72 Ų72140 Ų14074%0.74279%0.79SS**SBendtrans109.351.4163.200000118.1
677L30Very low27.4Very low161 Ų161142 Ų14284%0.84379%0.788SS**  trans-160.212149.8-109.2154.4000116.5G679L677-G679 PolarHBondContact O-N 3.35Å
678D26.7Very low27.1Very low176 Ų176141.4 Ų141.494%0.94179%0.785SS**  trans-77.465.7174.4-80.3-27.3000112.9
679G25.7Very low27.1Very low41 Ų41137.8 Ų137.842%0.42378%0.776SS.*SBendtrans-157.4119.3174.800000110.5L677L677-G679 PolarHBondContact O-N 3.35Å
680Y26.8Very low26.9Very low235 Ų235141.5 Ų141.592%0.92278%0.783SS**SBendtrans84.7130.4-174.5-62-88.7000116.3
681L26.2Very low27Very low121 Ų121141.6 Ų141.663%0.63477%0.774SS**  trans74.764.8167.1-64.8154.5000118.6L683L681-L683 HydrophobicContact CD2-CD1 4.38Å
682T24.4Very low26.8Very low140 Ų140141.8 Ų141.886%0.85978%0.776SS**  trans-99.984140.343.80000109.7
683L27.8Very low26.8Very low149 Ų149146.5 Ų146.578%0.7878%0.781SS**PPolyproline II helixtrans-91.3128157.2-88.1167000107.2L681 S685L681-L683 HydrophobicContact CD2-CD1 4.38Å; L683-S685 PolarHBondContact O-N 3.25Å
684Y26.6Very low26.7Very low228 Ų228146 Ų14689%0.89477%0.771SS**PPolyproline II helixtrans-54.2128.8-167.4-69.1-97000112.8
685S27.6Very low26.6Very low100 Ų100144.4 Ų144.470%0.69977%0.769SS**PPolyproline II helixtrans-71.7155.216150.90000110.6L683 T687L683-S685 PolarHBondContact O-N 3.25Å; S685-T687 PolarHBondContact O-N 3.35Å
686D25.3Very low26.4Very low164 Ų164140 Ų14088%0.87776%0.755SS**PPolyproline II helixtrans-54.9118.5-176.5-52.2-78.7000114
687T28.1Very low26.5Very low113 Ų113139 Ų13969%0.69373%0.732SS**  trans-150.6115.7152.553.60000109.5S685S685-T687 PolarHBondContact O-N 3.35Å
688D25.4Very low26.5Very low164 Ų164132.5 Ų132.588%0.87770%0.7SS**  trans38.185.7144.2-48-27.3000118.3
689V27.6Very low26.8Very low122 Ų122126 Ų12674%0.73967%0.665SS**  trans-133.461.5156.3-164.70000110.3
690E24.6Very low27.2Very low175 Ų175129 Ų12982%0.81867%0.67SS**  trans-75.5145.5147.7-72.5-169.6148.500109.2
691N25Very low27.6Very low135 Ų135119.3 Ų119.372%0.72264%0.635SS**SBendtrans82.6144.5174.9-51-64.6000118.5
692D25.1Very low27.8Very low142 Ų142115.8 Ų115.876%0.75963%0.628SS**  trans6670163.5-66-16.5000120.9
693Y27.2Very low28.1Very low223 Ų223110.1 Ų110.188%0.87559%0.593SS**  trans-110.678.1148-90.6-87.7000112.3
694Q26.5Very low28.2Very low101 Ų101110.6 Ų110.647%0.47259%0.585SS.*  trans-76.9135.1160.1-71.7-170.1-3.300110R711Q694-R711 VanDerWaalsContact OE1-CZ 3.31Å
695P25.7Very low28.4Very low114 Ų114103.6 Ų103.674%0.7457%0.566SS**  trans-80.1137.7-164.930.2-35000113.7
696A25.7Very low28.6Very low65 Ų65103.5 Ų103.554%0.53756%0.563SS.*  trans-136.5133.2163.600000110.6S698 V762A696-S698 PolarHBondContact O-N 3.2Å; A696-S698 VanDerWaalsContact O-N 3.17Å; A696-V762 VanDerWaalsContact C-CG2 3.47Å; A696-V762 HydrophobicContact CB-CG2 3.59Å; A696-V762 VanDerWaalsContact O-CG1 3.3Å; A696-V762 WeakPolarHBondContact O-CG1 3.4Å; A696-V762 WeakPolarHBondContact O-CG2 3.31Å
697L29.1Very low28.7Very low51 Ų51102 Ų10227%0.26756%0.555SS.*  trans28.862.7151.1-120.2155.5000120.5L699 P759 P761 V762L697-L699 PolarHBondContact O-N 2.89Å; L697-L699 VanDerWaalsContact O-N 3.1Å; L697-P759 HydrophobicContact CD1-CB 3.9Å; L697-P759 HydrophobicContact CD1-CG 3.31Å; L697-P761 HydrophobicContact CD2-CB 4.31Å; L697-V762 HydrophobicContact CB-CG2 4.02Å; L697-V762 WeakPolarHBondContact O-CG1 3.38Å; L697-V762 PolarHBondContact O-N 3.28Å
698S29.2Very low28.8Very low24 Ų24102.4 Ų102.417%0.16856%0.557CS.*  trans-60.5110.7171.9179.90000112.9A696 L700 D701 G702A696-S698 PolarHBondContact O-N 3.2Å; A696-S698 VanDerWaalsContact O-N 3.17Å; S698-L700 PolarHBondContact O-N 3.26Å; S698-L700 PolarHBondContact OG-N 3.29Å; S698-D701 VanDerWaalsContact CB-OD2 3.29Å; S698-D701 WeakPolarHBondContact CB-OD2 3.28Å; S698-D701 PolarHBondContact O-N 3.14Å; S698-D701 VanDerWaalsContact O-N 3.08Å; S698-D701 VanDerWaalsContact OG-CG 3.25Å; S698-D701 PolarHBondContact OG-OD2 3.11Å; S698-G702 PolarHBondContact O-N 2.97Å; S698-G702 VanDerWaalsContact O-N 3.17Å
699L34.3Very low29.2Very low40 Ų4099.1 Ų99.121%0.20955%0.547CS..THydrogen-bonded Turntrans-81.18.6175.7-107.3-176.2000113.9L697 P761 I763 R966L697-L699 PolarHBondContact O-N 2.89Å; L697-L699 VanDerWaalsContact O-N 3.1Å; L699-P761 HydrophobicContact CD1-CB 3.41Å; L699-P761 VanDerWaalsContact CD1-CB 3.41Å; L699-P761 HydrophobicContact CD1-CG 3.62Å; L699-P761 HydrophobicContact CG-CB 3.79Å; L699-I763 HydrophobicContact CB-CB 3.55Å; L699-I763 HydrophobicContact CB-CG1 4.35Å; L699-I763 WeakPolarHBondContact CB-O 3.47Å; L699-I763 WeakPolarHBondContact CD1-O 3.33Å; L699-R966 PolarHBondContact O-NH2 2.8Å
700L33.1Very low29.5Very low102 Ų10297.5 Ų97.553%0.53454%0.535SS..THydrogen-bonded Turntrans-84-23.8160.6-87.6165.4000110.9H103 S698 I763H103-L700 PolarHBondContact CD2-O 2.9Å; S698-L700 PolarHBondContact O-N 3.26Å; S698-L700 PolarHBondContact OG-N 3.29Å; L700-I763 HydrophobicContact CB-CD1 3.72Å; L700-I763 HydrophobicContact CD1-CD1 3.42Å; L700-I763 VanDerWaalsContact CD1-CD1 3.42Å; L700-I763 HydrophobicContact CG-CD1 3.45Å; L700-I763 VanDerWaalsContact CG-CD1 3.45Å
701D36.3Very low29.9Very low33 Ų3397.8 Ų97.818%0.17653%0.528CS..THydrogen-bonded Turntrans-130.9-14.7-151.3-61.2-35000115.4K207 S698 T703K207-D701 HydrophobicContact CB-CB 4.5Å; K207-D701 HydrophobicContact CD-CB 3.63Å; K207-D701 VanDerWaalsContact CD-OD1 3.23Å; K207-D701 WeakPolarHBondContact CD-OD1 3.42Å; K207-D701 VanDerWaalsContact CE-CG 3.4Å; K207-D701 WeakPolarHBondContact CE-OD1 3.36Å; K207-D701 HydrophobicContact CG-CB 3.81Å; K207-D701 IonicContact NZ-OD1 3.03Å; K207-D701 PolarHBondContact NZ-OD1 3.11Å; S698-D701 VanDerWaalsContact CB-OD2 3.29Å; S698-D701 WeakPolarHBondContact CB-OD2 3.28Å; S698-D701 PolarHBondContact O-N 3.14Å; S698-D701 VanDerWaalsContact O-N 3.08Å; S698-D701 VanDerWaalsContact OG-CG 3.25Å; S698-D701 PolarHBondContact OG-OD2 3.11Å; D701-T703 HydrophobicContact CB-CG2 4.25Å; D701-T703 PolarHBondContact O-N 3.37Å
702G28.8Very low30.3Very low47 Ų4798.9 Ų98.949%0.48553%0.529SS..THydrogen-bonded Turntrans75.416.7170.200000116.1I211 S698I211-G702 WeakPolarHBondContact CG1-O 3.42Å; S698-G702 PolarHBondContact O-N 2.97Å; S698-G702 VanDerWaalsContact O-N 3.17Å
703T32.3Very low30.5Very low21 Ų21100.3 Ų100.313%0.12952%0.524CS..  trans-88.8139.4-173.866.90000112.9K207 D210 D701K207-T703 HydrophobicContact CB-CG2 4.22Å; K207-T703 HydrophobicContact CG-CG2 4.34Å; D210-T703 HydrophobicContact CB-CG2 3.54Å; D210-T703 VanDerWaalsContact OD2-CB 3.26Å; D210-T703 WeakPolarHBondContact OD2-CB 3.29Å; D210-T703 VanDerWaalsContact OD2-CG2 3.23Å; D210-T703 WeakPolarHBondContact OD2-CG2 3.18Å; D701-T703 HydrophobicContact CB-CG2 4.25Å; D701-T703 PolarHBondContact O-N 3.37Å
704Y28.6Very low30.6Very low159 Ų15997.2 Ų97.262%0.62451%0.511SS*.  trans-112.7130.3-178.4179.7-90.6000110.5P706Y704-P706 HydrophobicContact CE1-CB 4.23Å
705V31.2Very low30.9Very low80 Ų8095.7 Ų95.749%0.48552%0.515SS..  trans-130.7126.5170.9-176.70000108.5
706P31.3Very low31.2Very low98 Ų9897.5 Ų97.564%0.63651%0.514SS*.  trans-73.1159.5-17830-35.1000112.8Y704Y704-P706 HydrophobicContact CE1-CB 4.23Å
707N28.3Very low31.5Very low134 Ų13498.4 Ų98.472%0.71752%0.516SS*.  trans-104.6160.7-171.2-164.812.7000113.3
708T29.2Very low31.8Very low120 Ų120101.7 Ų101.774%0.73654%0.539SS*.SBendtrans57.585.1163.856.10000119.3
709S34.7Very low31.9Very low95 Ų95109 Ų10966%0.66457%0.567SS**SBendtrans-157.8-37.3144.152.60000114
710D33.6Very low31.7Very low89 Ų89114.2 Ų114.248%0.47660%0.596SS.*THydrogen-bonded Turntrans-93-6.7-171-69.3-55.4000116.3Q712 R713D710-Q712 PolarHBondContact O-N 3.48Å; D710-R713 PolarHBondContact O-N 3.44Å; D710-R713 IonicContact OD1-CZ 3.68Å; D710-R713 IonicContact OD1-NH1 3.3Å; D710-R713 PolarHBondContact OD1-NH1 3.3Å
711R32.1Very low31.6Very low181 Ų181121.4 Ų121.468%0.68362%0.616SS**Hα-helixtrans-64.9-20.9-179.9-106-175.9176.6176.3-1115Q694Q694-R711 VanDerWaalsContact OE1-CZ 3.31Å
712Q33.1Very low31.1Very low158 Ų158127.1 Ų127.174%0.73865%0.646SS**Hα-helixtrans-83.6-29.4171.5-76.7179.2-51.500112.6D710 W714D710-Q712 PolarHBondContact O-N 3.48Å; Q712-W714 PolarHBondContact O-N 3.35Å
713R31.1Very low31.1Very low171 Ų171131.9 Ų131.965%0.64567%0.666SS**Hα-helixtrans-79.4-20.4-171.3-158.4177.5-74.8148.4-12.8113.8D710D710-R713 PolarHBondContact O-N 3.44Å; D710-R713 IonicContact OD1-CZ 3.68Å; D710-R713 IonicContact OD1-NH1 3.3Å; D710-R713 PolarHBondContact OD1-NH1 3.3Å
714W28.4Very low30.7Very low159 Ų159138.1 Ų138.160%0.60269%0.693SS**Hα-helixtrans-85.6-31.4173.8-103.348.3000113.8R237 Q712 E716 S717R237-W714 VanDerWaalsContact NH1-CZ2 3.28Å; Q712-W714 PolarHBondContact O-N 3.35Å; W714-E716 PolarHBondContact O-N 2.91Å; W714-S717 PolarHBondContact O-N 3.4Å; W714-S717 PolarHBondContact O-OG 3.5Å
715A32Very low30.5Very low69 Ų69140 Ų14057%0.5770%0.704SS**THydrogen-bonded Turntrans-72.8-11177.900000113.6
716E32.5Very low30.3Very low151 Ų151139 Ų13971%0.70671%0.711SS**THydrogen-bonded Turntrans-101-13.9179.5-68.1179.615700113.3W714W714-E716 PolarHBondContact O-N 2.91Å
717S32.7Very low30.1Very low84 Ų84147 Ų14759%0.58773%0.728SS**THydrogen-bonded Turntrans-92.9-8-175.670.40000115.4W714W714-S717 PolarHBondContact O-N 3.4Å; W714-S717 PolarHBondContact O-OG 3.5Å
718T34.2Very low30Very low121 Ų121143.5 Ų143.574%0.74272%0.724SS**THydrogen-bonded Turntrans-9917.7-179.348.60000113.7
719K32.3Very low30Very low177 Ų177143.5 Ų143.577%0.7773%0.729SS**SBendtrans-99.3-6.8-176.5-91.9-175.5175.61760116.7
720D29.5Very low29.7Very low150 Ų150148.2 Ų148.280%0.80274%0.737SS**  trans-122.695179.3-79.6-41.8000111.6
721R30.8Very low29.4Very low253 Ų253154.7 Ų154.796%0.95576%0.762SS**  trans177.596.3146.2-97.4155.4-164.9-135.31.7111.2
722D26.1Very low29.3Very low152 Ų152149.5 Ų149.581%0.81377%0.765SS**  trans-67.5139.6172.1-59.6-73000113.2
723V28.3Very low28.9Very low148 Ų148148.8 Ų148.890%0.89777%0.771SS**  trans-146.9133.9138.4-170.80000109.6
724H24Very low28.7Very low151 Ų151149 Ų14970%0.69978%0.784SS**  trans-67.6160.6179.3-58.4-76.2000113
725F26.1Very low28.6Very low198 Ų198146 Ų14687%0.86879%0.787SS**  cis-151.4176.133.9-71.2-99.6000110.2
726G25.2Very low28.4Very low60 Ų60150.2 Ų150.262%0.61980%0.801SS**  cis155.1153.7-7.800000113.9
727W27.4Very low28.2Very low266 Ų266147 Ų147100%1.00880%0.8SS**  trans70.7127.5177-56.979.6000117.1
728G26.3Very low27.8Very low61 Ų61153.5 Ų153.563%0.62982%0.817SS**  cis174.9167.1-7.700000113.1
729S30.2Very low27.6Very low120 Ų120153.5 Ų153.584%0.83982%0.817SS**  trans73.1140.8178.585.10000116.7
730K27Very low27.3Very low193 Ų193153 Ų15384%0.83982%0.817SS**  cis174.6109.5-25.1-119.3-176.9179.2-179.60105.3
731F29Very low27.1Very low225 Ų225151 Ų15199%0.98782%0.822SS**  trans164.4132.5154.1-86.4-61.2000105.2
732G28.7Very low26.9Very low72 Ų72145.4 Ų145.474%0.74281%0.811SS**  cis164107.1100000106
733T24.5Very low27Very low143 Ų143141.4 Ų141.488%0.87781%0.805SS**  trans-76.2144.3-164.240.60000113.9
734L27.9Very low26.8Very low175 Ų175144.5 Ų144.592%0.91681%0.807SS**  trans-146.1106.9156.3-111.3156.8000108.4
735S27Very low26.9Very low96 Ų96143.5 Ų143.567%0.67181%0.806SS**  trans-78.4178.717351.60000111.3
736D26.7Very low26.9Very low158 Ų158145.9 Ų145.985%0.84581%0.809SS**  trans83.560.9171.6-53.7-16.9000116.9
737A28.6Very low26.9Very low83 Ų83147.9 Ų147.969%0.68681%0.814SS**  trans-138.4113.8148.200000110.8V739A737-V739 HydrophobicContact CB-CG2 3.99Å; A737-V739 PolarHBondContact O-N 3.35Å
738K25.1Very low26.7Very low221 Ų221140.2 Ų140.296%0.96179%0.793SS**  trans-66108.3158.8-83.6178.4171.9177.40107.3
739V28.7Very low26.8Very low121 Ų121141.1 Ų141.173%0.73379%0.79SS**  trans-131141.6170.3-177.10000108.2A737A737-V739 HydrophobicContact CB-CG2 3.99Å; A737-V739 PolarHBondContact O-N 3.35Å
740E26.2Very low27.1Very low166 Ų166141.7 Ų141.778%0.77677%0.773SS**  trans-60.7147.2-172.6-67.3143142.300112.5D742E740-D742 PolarHBondContact O-N 3.12Å
741A26Very low27.8Very low109 Ų109139.3 Ų139.390%0.90176%0.76SS**SBendtrans-7853.9175.500000111.9
742D26.4Very low28.7Very low136 Ų136134.2 Ų134.273%0.72775%0.747SS**  trans-122.881170.4-94.7-40.8000108E740E740-D742 PolarHBondContact O-N 3.12Å
743G27.2Very low29.8Very low67 Ų67131.4 Ų131.469%0.69172%0.718SS**  trans-129.17.7-156.100000117.4
744F24.7Very low31.5Very low214 Ų214129.1 Ų129.194%0.93969%0.693SS**SBendtrans-125.739.9165.1-108.5-87000111.7
745L27Very low32.9Very low130 Ų130126.8 Ų126.868%0.68169%0.689SS**  trans-106.788166.5-84172000110.5
746R24.4Very low34.6Very low247 Ų247124.5 Ų124.593%0.93268%0.681SS**  trans-168.6117.7157.2-99.5157.2-168.2-163.64105.3
747S25.1Very low36.5Very low102 Ų102117.7 Ų117.771%0.71364%0.644SS**SBendcis-139.3138.42750.30000113.9
748D23.5Very low38.3Very low106 Ų106115 Ų11557%0.56762%0.618SS**  trans52.154.5158.9-60.69.9000120.1R750 R1022D748-R750 PolarHBondContact O-N 3.48Å; D748-R750 VanDerWaalsContact O-N 3.12Å; D748-R1022 VanDerWaalsContact CG-NH2 3.33Å; D748-R1022 IonicContact OD2-CZ 2.79Å; D748-R1022 IonicContact OD2-NE 2.69Å; D748-R1022 PolarHBondContact OD2-NE 3.04Å; D748-R1022 VanDerWaalsContact OD2-NE 3.07Å; D748-R1022 IonicContact OD2-NH2 3.46Å; D748-R1022 PolarHBondContact OD2-NH2 3.24Å
749S30.2Very low40.1Very low80 Ų80108 Ų10856%0.55960%0.596SS**  trans-71.299.6156.4177.90000110.1
750R35.3Very low41.8Very low131 Ų131105.8 Ų105.849%0.49458%0.578SS.*SBendtrans-73.7122.9158-84.4178.3-85.9169.2-1.3107D748D748-R750 PolarHBondContact O-N 3.48Å; D748-R750 VanDerWaalsContact O-N 3.12Å
751Y41.5Very low43.4Very low143 Ų14397.9 Ų97.956%0.56154%0.541SS*.  trans69.387.3-174.9-91.9-92.7000116.9G753 L954 A984Y751-G753 PolarHBondContact O-N 3.28Å; Y751-L954 HydrophobicContact CD1-CD1 4.21Å; Y751-A984 WeakPolarHBondContact CB-O 3.34Å
752V48.2Very low44.4Very low118 Ų11896 Ų9672%0.71552%0.518SS*.PPolyproline II helixtrans-65.2124.9146.4-177.30000107.4
753G51.3Low45.5Very low13 Ų1392.3 Ų92.313%0.13450%0.498CS..PPolyproline II helixtrans-55.6150.2178.700000112.2Y751Y751-G753 PolarHBondContact O-N 3.28Å
754R61.4Low47.6Very low95 Ų9590.2 Ų90.236%0.35847%0.471SS..PPolyproline II helixtrans-53.5135.6-172.1-153.1173.5-166-129.71.1110.9G756 D757 T857R754-G756 PolarHBondContact O-N 3.3Å; R754-G756 VanDerWaalsContact O-N 3.11Å; R754-D757 WeakPolarHBondContact O-CB 3.35Å; R754-D757 PolarHBondContact O-N 3.09Å; R754-T857 VanDerWaalsContact CZ-CG2 3.4Å; R754-T857 VanDerWaalsContact NH2-CG2 3.25Å
755P56.3Low50Low126 Ų12680.5 Ų80.582%0.81843%0.429SS*.THydrogen-bonded Turntrans-53.5121.3175.6-26.634.7000110.4
756G62.5Low52.4Low49 Ų4979.5 Ų79.551%0.50542%0.421SS..THydrogen-bonded Turntrans91.1-0.9-17500000116.4R754 A848 Q852R754-G756 PolarHBondContact O-N 3.3Å; R754-G756 VanDerWaalsContact O-N 3.11Å; G756-A848 WeakPolarHBondContact O-CB 3.47Å; G756-Q852 PolarHBondContact O-NE2 3.33Å
757D67.6Low54.8Low15 Ų1568.8 Ų68.88%0.0838%0.382CS..PPolyproline II helixtrans-63.1159.5163.6-167.618.8000110.1R754 W953 L954 R955 S956R754-D757 WeakPolarHBondContact O-CB 3.35Å; R754-D757 PolarHBondContact O-N 3.09Å; D757-W953 WeakPolarHBondContact OD2-CA 3.43Å; D757-L954 PolarHBondContact OD2-N 3.04Å; D757-L954 VanDerWaalsContact OD2-N 3.12Å; D757-R955 VanDerWaalsContact OD2-CB 3.32Å; D757-R955 WeakPolarHBondContact OD2-CB 3.37Å; D757-R955 PolarHBondContact OD2-N 3.09Å; D757-S956 PolarHBondContact OD1-N 2.95Å; D757-S956 PolarHBondContact OD1-OG 2.6Å
758N65.7Low56.8Low25 Ų2569.9 Ų69.913%0.13438%0.376CS..PPolyproline II helixtrans-56.3159.9-177.8-57.3-52.9000111.4L847 A848 R955 S956N758-L847 WeakPolarHBondContact ND2-CD2 3.47Å; N758-A848 PolarHBondContact ND2-N 3.26Å; N758-A848 PolarHBondContact OD1-N 2.97Å; N758-R955 WeakPolarHBondContact O-CD 3.36Å; N758-R955 PolarHBondContact O-NH1 3.21Å; N758-S956 PolarHBondContact ND2-OG 3.35Å
759P63.8Low58.6Low75 Ų7569.1 Ų69.149%0.48738%0.376SS..PPolyproline II helixtrans-52.7151.5161.922.9-34.9000111.9L697L697-P759 HydrophobicContact CD1-CB 3.9Å; L697-P759 HydrophobicContact CD1-CG 3.31Å
760M64.2Low60.1Low74 Ų7470 Ų7037%0.36538%0.382SS..PPolyproline II helixtrans-64128.4172-172.670.893.600108L764 R955 L958 L985M760-L764 HydrophobicContact CG-CD2 3.88Å; M760-L764 HydrophobicContact SD-CD2 3.71Å; M760-R955 HydrophobicContact SD-CG 3.97Å; M760-L958 HydrophobicContact SD-CD2 4.36Å; M760-L985 HydrophobicContact CE-CD1 4.21Å; M760-L985 HydrophobicContact CE-CD2 4.02Å; M760-L985 HydrophobicContact SD-CD1 4.47Å
761P58.9Low61.2Low0 Ų065.3 Ų65.30%037%0.367CS..PPolyproline II helixtrans-89126.5-173.139.9-38.5000108.8L697 L699 I763 L764 L958 I959L697-P761 HydrophobicContact CD2-CB 4.31Å; L699-P761 HydrophobicContact CD1-CB 3.41Å; L699-P761 VanDerWaalsContact CD1-CB 3.41Å; L699-P761 HydrophobicContact CD1-CG 3.62Å; L699-P761 HydrophobicContact CG-CB 3.79Å; P761-I763 VanDerWaalsContact C-N 3.32Å; P761-I763 PolarHBondContact O-N 3.09Å; P761-L764 WeakPolarHBondContact O-CD2 3.49Å; P761-L958 HydrophobicContact CG-CD2 4.39Å; P761-I959 HydrophobicContact CB-CD1 4.23Å; P761-I959 HydrophobicContact CB-CG1 4.13Å; P761-I959 HydrophobicContact CG-CD1 4.2Å; P761-I959 HydrophobicContact CG-CG1 3.79Å
762V46.3Very low62Low70 Ų7061.5 Ų61.542%0.42435%0.352SS..SBendtrans-77.1-15.2-151.787.80000115.5A696 L697A696-V762 VanDerWaalsContact C-CG2 3.47Å; A696-V762 HydrophobicContact CB-CG2 3.59Å; A696-V762 VanDerWaalsContact O-CG1 3.3Å; A696-V762 WeakPolarHBondContact O-CG1 3.4Å; A696-V762 WeakPolarHBondContact O-CG2 3.31Å; L697-V762 HydrophobicContact CB-CG2 4.02Å; L697-V762 WeakPolarHBondContact O-CG1 3.38Å; L697-V762 PolarHBondContact O-N 3.28Å
763I50.6Low62.2Low59 Ų5959.4 Ų59.430%0.30334%0.343SS..SBendtrans-10875.3170.9-49-174.1000108.1L699 L700 P761L699-I763 HydrophobicContact CB-CB 3.55Å; L699-I763 HydrophobicContact CB-CG1 4.35Å; L699-I763 WeakPolarHBondContact CB-O 3.47Å; L699-I763 WeakPolarHBondContact CD1-O 3.33Å; L700-I763 HydrophobicContact CB-CD1 3.72Å; L700-I763 HydrophobicContact CD1-CD1 3.42Å; L700-I763 VanDerWaalsContact CD1-CD1 3.42Å; L700-I763 HydrophobicContact CG-CD1 3.45Å; L700-I763 VanDerWaalsContact CG-CD1 3.45Å; P761-I763 VanDerWaalsContact C-N 3.32Å; P761-I763 PolarHBondContact O-N 3.09Å
764L70.3Confident62Low23 Ų2368.8 Ų68.812%0.1237%0.374CS..  trans-46.4140.6175.5-55.9170.4000109.5M760 P761 E766 L958 Y982M760-L764 HydrophobicContact CG-CD2 3.88Å; M760-L764 HydrophobicContact SD-CD2 3.71Å; P761-L764 WeakPolarHBondContact O-CD2 3.49Å; L764-E766 WeakPolarHBondContact O-CG 3.34Å; L764-E766 PolarHBondContact O-N 2.74Å; L764-L958 HydrophobicContact CD2-CD2 3.48Å; L764-L958 VanDerWaalsContact CD2-CD2 3.48Å; L764-Y982 HydrophobicContact CB-CE1 4.27Å; L764-Y982 WeakPolarHBondContact CB-OH 3.49Å
765P76.5Confident61.3Low10 Ų1069.4 Ų69.47%0.06539%0.389CS..  trans-57.4106.5179.1-25.133.9000111.9L958 G962 L978 Y982 F994P765-L958 HydrophobicContact CG-CD1 4.18Å; P765-L958 HydrophobicContact CG-CG 4.05Å; P765-G962 VanDerWaalsContact CG-CA 3.45Å; P765-L978 HydrophobicContact CB-CD1 4.43Å; P765-Y982 WeakPolarHBondContact CD-OH 3.37Å; P765-Y982 VanDerWaalsContact N-OH 3.15Å; P765-Y982 PolarHBondContact O-OH 2.93Å; P765-F994 WeakPolarHBondContact O-CE2 3.49Å; P765-F994 WeakPolarHBondContact O-CZ 3.28Å
766E76.3Confident60.7Low109 Ų10967 Ų6751%0.50938%0.38SS..PPolyproline II helixtrans-102.7157.3-179.4-53.8-141.7144.700112.1L764 R990L764-E766 WeakPolarHBondContact O-CG 3.34Å; L764-E766 PolarHBondContact O-N 2.74Å; E766-R990 IonicContact OE1-CZ 3.83Å; E766-R990 VanDerWaalsContact OE1-CZ 3.3Å; E766-R990 IonicContact OE1-NE 3.17Å; E766-R990 PolarHBondContact OE1-NE 2.89Å; E766-R990 IonicContact OE1-NH2 2.75Å; E766-R990 PolarHBondContact OE1-NH2 3.03Å
767L74.4Confident60.2Low22 Ų2268.1 Ų68.112%0.11537%0.373CS..PPolyproline II helixtrans-81.2131.7174.8-70.4166.7000110.4L771 Y772 H975 K993 F994L767-L771 HydrophobicContact CD2-CB 4.49Å; L767-Y772 HydrophobicContact CB-CD1 3.88Å; L767-Y772 HydrophobicContact CB-CE1 4.42Å; L767-Y772 HydrophobicContact CD1-CD1 4.38Å; L767-H975 WeakPolarHBondContact CD2-CE1 3.48Å; L767-H975 WeakPolarHBondContact CD2-ND1 3.25Å; L767-K993 HydrophobicContact CD1-CB 4.22Å; L767-K993 VanDerWaalsContact CD1-O 3.27Å; L767-K993 WeakPolarHBondContact CD1-O 3.49Å; L767-F994 HydrophobicContact CD1-CD1 4.19Å; L767-F994 HydrophobicContact CD1-CD2 4.43Å; L767-F994 HydrophobicContact CD1-CE1 4.31Å; L767-F994 HydrophobicContact CD1-CG 4.27Å; L767-F994 HydrophobicContact CD1-CZ 4.47Å; L767-F994 HydrophobicContact CD2-CD1 3.94Å; L767-F994 HydrophobicContact CD2-CE1 3.51Å; L767-F994 HydrophobicContact CD2-CZ 3.98Å; L767-F994 HydrophobicContact CG-CD1 4.07Å; L767-F994 HydrophobicContact CG-CD2 4.47Å; L767-F994 HydrophobicContact CG-CE1 3.69Å; L767-F994 HydrophobicContact CG-CE2 4.09Å; L767-F994 HydrophobicContact CG-CG 4.46Å; L767-F994 HydrophobicContact CG-CZ 3.7Å
768H67.6Low59.1Low124 Ų12475 Ų7557%0.57441%0.408SS*.PPolyproline II helixtrans-57.8137.4167.2-170-95.9000109.5S770 L771H768-S770 PolarHBondContact ND1-N 3.29Å; H768-S770 PolarHBondContact ND1-OG 2.9Å; H768-S770 PolarHBondContact O-N 3.2Å; H768-L771 HydrophobicContact CB-CD1 4.18Å; H768-L771 HydrophobicContact CB-CG 4.46Å; H768-L771 PolarHBondContact O-N 3Å
769P61.5Low58.3Low90 Ų9076 Ų7658%0.58441%0.414SS*.G310 helixtrans-54.1-23.1-174.9-30.936.7000116
770S61.2Low57.4Low98 Ų9877 Ų7769%0.68542%0.416SS*.G310 helixtrans-81.9-4.8175.964.50000115.5H768H768-S770 PolarHBondContact ND1-N 3.29Å; H768-S770 PolarHBondContact ND1-OG 2.9Å; H768-S770 PolarHBondContact O-N 3.2Å
771L58.7Low56.5Low34 Ų3480.3 Ų80.318%0.17843%0.434CS..G310 helixtrans-101.2-3.8-178.3-69.9174.1000114L767 H768 P969 K970 S997L767-L771 HydrophobicContact CD2-CB 4.49Å; H768-L771 HydrophobicContact CB-CD1 4.18Å; H768-L771 HydrophobicContact CB-CG 4.46Å; H768-L771 PolarHBondContact O-N 3Å; L771-P969 HydrophobicContact CD1-CB 4.26Å; L771-K970 HydrophobicContact CD2-CG 4.41Å; L771-S997 PolarHBondContact O-OG 3.34Å
772Y59.3Low56Low63 Ų6389.5 Ų89.525%0.24747%0.473CS..SBendtrans-131.6133.8169.971.7-87.4000109.8L767 R774L767-Y772 HydrophobicContact CB-CD1 3.88Å; L767-Y772 HydrophobicContact CB-CE1 4.42Å; L767-Y772 HydrophobicContact CD1-CD1 4.38Å; Y772-R774 HydrophobicContact CE2-CG 4.17Å
773S51.5Low56.4Low74 Ų7491.3 Ų91.352%0.51748%0.481SS..  trans-82.1141.7165.4-176.50000108.5T775S773-T775 WeakPolarHBondContact CB-OG1 3.44Å; S773-T775 PolarHBondContact O-N 3.43Å; S773-T775 VanDerWaalsContact O-N 3.08Å; S773-T775 PolarHBondContact OG-N 3.28Å; S773-T775 PolarHBondContact OG-OG1 3.16Å
774R47.8Very low56.8Low209 Ų20989.4 Ų89.479%0.78947%0.474SS*.  trans-69.98.2171.5-84.5-169.8178-169.8-0.4113.6Y772 A776Y772-R774 HydrophobicContact CE2-CG 4.17Å; R774-A776 PolarHBondContact O-N 3.16Å
775T46.7Very low56.2Low109 Ų10992.3 Ų92.367%0.66950%0.501SS*.  trans-56.5107.6176.6-31.70000109.4S773 M777S773-T775 WeakPolarHBondContact CB-OG1 3.44Å; S773-T775 PolarHBondContact O-N 3.43Å; S773-T775 VanDerWaalsContact O-N 3.08Å; S773-T775 PolarHBondContact OG-N 3.28Å; S773-T775 PolarHBondContact OG-OG1 3.16Å; T775-M777 PolarHBondContact O-N 2.87Å
776A43.6Very low55.7Low76 Ų7697.7 Ų97.763%0.62853%0.534SS*.  trans-57139.8179.400000109.7R774 I778R774-A776 PolarHBondContact O-N 3.16Å; A776-I778 VanDerWaalsContact C-N 3.29Å; A776-I778 PolarHBondContact O-N 3.41Å
777M51.4Low55.3Low72 Ų7296.3 Ų96.336%0.35553%0.527SS..  trans-65.697164.1-88.4-175.9106.600107.6T775 V779 M999 A1012 L1013 L1016T775-M777 PolarHBondContact O-N 2.87Å; M777-V779 PolarHBondContact O-N 3.3Å; M777-M999 HydrophobicContact CE-CE 3.58Å; M777-M999 HydrophobicContact CE-SD 4.01Å; M777-M999 HydrophobicContact SD-CE 3.8Å; M777-A1012 HydrophobicContact CE-CB 4.04Å; M777-A1012 HydrophobicContact SD-CB 4.01Å; M777-L1013 HydrophobicContact CE-CD2 4.41Å; M777-L1013 HydrophobicContact CE-CG 4.42Å; M777-L1016 HydrophobicContact SD-CD1 4.35Å
778I44.9Very low55.1Low160 Ų16096.2 Ų96.282%0.82153%0.528SS*.  trans-7088.8170.9-56.9173.4000107A776A776-I778 VanDerWaalsContact C-N 3.29Å; A776-I778 PolarHBondContact O-N 3.41Å
779V48.9Very low55.2Low44 Ų4493.1 Ų93.127%0.26752%0.524SS..  trans-79.3125.8162.9-177.60000106.6M777 I781 L1013 L1016M777-V779 PolarHBondContact O-N 3.3Å; V779-I781 PolarHBondContact O-N 3.03Å; V779-L1013 HydrophobicContact CG2-CD2 3.74Å; V779-L1016 HydrophobicContact CG2-CD1 3.86Å
780D45.8Very low55.6Low98 Ų9890.6 Ų90.652%0.52451%0.514SS..  trans-7194.9174.7-175-2.5000109.6K782 N783D780-K782 PolarHBondContact O-N 2.78Å; D780-K782 WeakPolarHBondContact OD1-CB 3.29Å; D780-K782 PolarHBondContact OD1-N 3.48Å; D780-N783 PolarHBondContact O-N 3.46Å
781I44.8Very low56.1Low143 Ų14388.1 Ų88.173%0.73349%0.49SS*.G310 helixtrans-57.1-25.1-174-62.3178.5000111.6V779 N783 A784V779-I781 PolarHBondContact O-N 3.03Å; I781-N783 PolarHBondContact O-N 3.34Å; I781-A784 WeakPolarHBondContact O-CB 3.48Å; I781-A784 PolarHBondContact O-N 3.1Å
782K48.2Very low56.6Low192 Ų19290.1 Ų90.184%0.83550%0.5SS*.G310 helixtrans-63.5-23.9-176.4-69.9-176.5176.41770114.4D780D780-K782 PolarHBondContact O-N 2.78Å; D780-K782 WeakPolarHBondContact OD1-CB 3.29Å; D780-K782 PolarHBondContact OD1-N 3.48Å
783N54.8Low57.1Low109 Ų10996.1 Ų96.158%0.58353%0.528SS*.G310 helixtrans-113.72.7176.4-72.8-50.1000113.9D780 I781 A785 V786 E787D780-N783 PolarHBondContact O-N 3.46Å; I781-N783 PolarHBondContact O-N 3.34Å; N783-A785 VanDerWaalsContact C-N 3.34Å; N783-A785 PolarHBondContact O-N 2.62Å; N783-V786 PolarHBondContact O-N 3.19Å; N783-E787 PolarHBondContact O-N 2.75Å
784A58Low58.1Low19 Ų19103.1 Ų103.116%0.15754%0.543CS..Hα-helixtrans-56.2-40.4-166.300000114I781 V786 E787 C788I781-A784 WeakPolarHBondContact O-CB 3.48Å; I781-A784 PolarHBondContact O-N 3.1Å; A784-V786 PolarHBondContact O-N 3.17Å; A784-E787 PolarHBondContact O-N 2.9Å; A784-C788 WeakPolarHBondContact O-CB 3.49Å; A784-C788 PolarHBondContact O-N 3.29Å; A784-C788 PolarHBondContact O-SG 2.7Å
785A59.1Low59.3Low84 Ų8494.1 Ų94.169%0.69451%0.511SS*.Hα-helixtrans-61.3-45-176.400000113.6N783 A789N783-A785 VanDerWaalsContact C-N 3.34Å; N783-A785 PolarHBondContact O-N 2.62Å; A785-A789 WeakPolarHBondContact O-CB 3.46Å; A785-A789 PolarHBondContact O-N 3.32Å
786V64.7Low60.5Low122 Ų12293.8 Ų93.874%0.73951%0.505SS*.Hα-helixtrans-72.8-41.3-179.7-179.80000110.6N783 A784 A789 G790N783-V786 PolarHBondContact O-N 3.19Å; A784-V786 PolarHBondContact O-N 3.17Å; V786-A789 PolarHBondContact O-N 3.23Å; V786-G790 PolarHBondContact O-N 3Å; V786-G790 VanDerWaalsContact O-N 3.1Å
787E67.9Low62Low80 Ų8091.8 Ų91.837%0.37448%0.484SS..Hα-helixtrans-63.4-44176.9-169.4174.6177.200111.2N783 A784 G790 R791N783-E787 PolarHBondContact O-N 2.75Å; A784-E787 PolarHBondContact O-N 2.9Å; E787-G790 PolarHBondContact O-N 2.86Å; E787-R791 HydrophobicContact CG-CG 4.32Å; E787-R791 WeakPolarHBondContact O-CB 3.06Å; E787-R791 WeakPolarHBondContact O-CG 3.5Å; E787-R791 PolarHBondContact O-N 3.48Å; E787-R791 IonicContact OE1-CZ 3.09Å; E787-R791 IonicContact OE1-NE 2.71Å; E787-R791 PolarHBondContact OE1-NE 3.45Å; E787-R791 IonicContact OE1-NH2 2.64Å; E787-R791 PolarHBondContact OE1-NH2 3.5Å
788C71.8Confident62.7Low20 Ų2090.8 Ų90.814%0.13549%0.491CS..Hα-helixtrans-62-45.3176-740000112.9A784 G790 R791 L792 C1017A784-C788 WeakPolarHBondContact O-CB 3.49Å; A784-C788 PolarHBondContact O-N 3.29Å; A784-C788 PolarHBondContact O-SG 2.7Å; C788-G790 PolarHBondContact O-N 3.38Å; C788-R791 PolarHBondContact O-N 3.02Å; C788-L792 WeakPolarHBondContact O-CB 3.5Å; C788-L792 VanDerWaalsContact O-CG 3.29Å; C788-L792 WeakPolarHBondContact O-CG 3.44Å; C788-L792 PolarHBondContact O-N 3.04Å; C788-C1017 WeakPolarHBondContact CA-SG 3.47Å; C788-C1017 HydrophobicContact CB-CB 3.51Å; C788-C1017 WeakPolarHBondContact CB-SG 3.29Å; C788-C1017 WeakPolarHBondContact SG-CA 3.43Å; C788-C1017 WeakPolarHBondContact SG-CB 3.5Å; C788-C1017 CovalentContact SG-SG 2.03Å; C788-C1017 PolarHBondContact SG-SG 3.45Å
789A68.7Low64.1Low60 Ų6087 Ų8750%0.49648%0.476SS..Hα-helixtrans-61.7-32.6176.200000112.7A785 V786 K793A785-A789 WeakPolarHBondContact O-CB 3.46Å; A785-A789 PolarHBondContact O-N 3.32Å; V786-A789 PolarHBondContact O-N 3.23Å; A789-K793 WeakPolarHBondContact O-CG 3.48Å
790G71Confident65.2Low36 Ų3686.7 Ų86.737%0.37147%0.474SS..Hα-helixtrans-73.4-41.5172.700000113.5V786 E787 C788V786-G790 PolarHBondContact O-N 3Å; V786-G790 VanDerWaalsContact O-N 3.1Å; E787-G790 PolarHBondContact O-N 2.86Å; C788-G790 PolarHBondContact O-N 3.38Å
791R70.6Confident66.7Low47 Ų4783.8 Ų83.818%0.17746%0.46CS..Hα-helixtrans-73.1-42.2-177.9-74.3179.8178.5-76.70.7113.2E787 C788 K793 R794 V795 D1010E787-R791 HydrophobicContact CG-CG 4.32Å; E787-R791 WeakPolarHBondContact O-CB 3.06Å; E787-R791 WeakPolarHBondContact O-CG 3.5Å; E787-R791 PolarHBondContact O-N 3.48Å; E787-R791 IonicContact OE1-CZ 3.09Å; E787-R791 IonicContact OE1-NE 2.71Å; E787-R791 PolarHBondContact OE1-NE 3.45Å; E787-R791 IonicContact OE1-NH2 2.64Å; E787-R791 PolarHBondContact OE1-NH2 3.5Å; C788-R791 PolarHBondContact O-N 3.02Å; R791-K793 PolarHBondContact O-N 2.79Å; R791-K793 VanDerWaalsContact O-N 3.17Å; R791-R794 PolarHBondContact O-N 3.19Å; R791-V795 PolarHBondContact O-N 3.03Å; R791-D1010 IonicContact CZ-OD1 2.7Å; R791-D1010 IonicContact NH1-OD1 3.78Å; R791-D1010 PolarHBondContact NH1-OD1 3.24Å
792L69.7Low68.5Low75 Ų7578.9 Ų78.939%0.39344%0.437SS..THydrogen-bonded Turntrans-64.1-19177.6-68.3171.3000113.1C788 C1017 T1018C788-L792 WeakPolarHBondContact O-CB 3.5Å; C788-L792 VanDerWaalsContact O-CG 3.29Å; C788-L792 WeakPolarHBondContact O-CG 3.44Å; C788-L792 PolarHBondContact O-N 3.04Å; L792-C1017 HydrophobicContact CD1-CB 4.17Å; L792-C1017 HydrophobicContact CD2-CB 4.23Å; L792-C1017 HydrophobicContact CG-CB 4.14Å; L792-T1018 HydrophobicContact CD2-CG2 3.62Å
793K70.2Confident70.1Confident189 Ų18970.3 Ų70.382%0.82240%0.401SS*.THydrogen-bonded Turntrans-82.4-14.8170-71.1-179.9-179.3-178.80114.3A789 R791A789-K793 WeakPolarHBondContact O-CG 3.48Å; R791-K793 PolarHBondContact O-N 2.79Å; R791-K793 VanDerWaalsContact O-N 3.17Å
794R72.2Confident71.4Confident222 Ų22267 Ų6784%0.83838%0.38SS*.THydrogen-bonded Turntrans-106-33.4-178.3-66.6179.8-177.4178.62.1112.9R791R791-R794 PolarHBondContact O-N 3.19Å
795V72.4Confident72.6Confident20 Ų2066.8 Ų66.812%0.12138%0.376CS..  trans-111.599.3-175.1-1760000109.3R791 L797 D1010 R1011 A1014R791-V795 PolarHBondContact O-N 3.03Å; V795-L797 HydrophobicContact CG1-CD2 4.23Å; V795-L797 PolarHBondContact O-N 2.89Å; V795-D1010 HydrophobicContact CG2-CB 4.24Å; V795-R1011 HydrophobicContact CG1-CG 3.81Å; V795-A1014 HydrophobicContact CB-CB 3.82Å; V795-A1014 HydrophobicContact CG1-CB 3.69Å; V795-A1014 HydrophobicContact CG2-CB 4.4Å
796D72Confident73.4Confident102 Ų10264.1 Ų64.155%0.54535%0.352SS..  trans-78.4111.9166.1-166.8-18.7000109.2G798 V799 R1011D796-G798 VanDerWaalsContact C-N 3.29Å; D796-G798 WeakPolarHBondContact OD1-CA 3.4Å; D796-G798 PolarHBondContact OD1-N 3.26Å; D796-V799 HydrophobicContact CB-CB 4.29Å; D796-V799 HydrophobicContact CB-CG2 4.02Å; D796-V799 WeakPolarHBondContact OD2-CG2 3.5Å; D796-R1011 PolarHBondContact O-NH1 2.8Å
797L74Confident74Confident34 Ų3458.3 Ų58.318%0.17832%0.317CS..THydrogen-bonded Turntrans-72.1-25.7176.3-69.9171.9000112.1V795 R1011 A1014 L1015 T1018V795-L797 HydrophobicContact CG1-CD2 4.23Å; V795-L797 PolarHBondContact O-N 2.89Å; L797-R1011 HydrophobicContact CD2-CB 4.38Å; L797-R1011 HydrophobicContact CD2-CG 4.49Å; L797-R1011 PolarHBondContact O-NH2 3.33Å; L797-R1011 VanDerWaalsContact O-NH2 3.14Å; L797-A1014 HydrophobicContact CD1-CB 4.33Å; L797-A1014 HydrophobicContact CD2-CB 4.16Å; L797-A1014 HydrophobicContact CG-CB 4.29Å; L797-L1015 HydrophobicContact CD1-CB 4.44Å; L797-L1015 HydrophobicContact CD1-CD1 4.02Å; L797-T1018 HydrophobicContact CD1-CG2 3.94Å
798G67.5Low74.3Confident50 Ų5059 Ų5952%0.51532%0.324SS..THydrogen-bonded Turntrans-80.2-11.217900000114.5D796 P800D796-G798 VanDerWaalsContact C-N 3.29Å; D796-G798 WeakPolarHBondContact OD1-CA 3.4Å; D796-G798 PolarHBondContact OD1-N 3.26Å; G798-P800 WeakPolarHBondContact O-CD 3.19Å
799V73.2Confident74.4Confident82 Ų8261.4 Ų61.450%0.49735%0.345SS..SBendtrans-88.8115.8169.9176.20000109.2D796D796-V799 HydrophobicContact CB-CB 4.29Å; D796-V799 HydrophobicContact CB-CG2 4.02Å; D796-V799 WeakPolarHBondContact OD2-CG2 3.5Å
800P72.5Confident74.7Confident36 Ų3661.3 Ų61.323%0.23433%0.333CS..  trans-68.5140178.827.6-34.2000110.9G798 E949 R950G798-P800 WeakPolarHBondContact O-CD 3.19Å; P800-E949 WeakPolarHBondContact CA-OE1 3.5Å; P800-E949 HydrophobicContact CB-CG 4.26Å; P800-E949 WeakPolarHBondContact CB-OE1 3.46Å; P800-R950 HydrophobicContact CB-CG 3.92Å; P800-R950 HydrophobicContact CG-CB 4.26Å; P800-R950 HydrophobicContact CG-CG 3.89Å; P800-R950 PolarHBondContact O-NH1 3.03Å
801V77.4Confident74.9Confident37 Ų3762.9 Ų62.922%0.22435%0.349CS..  trans-83.4123.8-169.6-174.90000110.6V803 F976V801-V803 HydrophobicContact CG1-CG2 4.21Å; V801-V803 PolarHBondContact O-N 3.03Å; V801-V803 VanDerWaalsContact O-N 3.09Å; V801-F976 HydrophobicContact CB-CE1 4.33Å; V801-F976 HydrophobicContact CG1-CE1 3.9Å; V801-F976 HydrophobicContact CG1-CZ 4.17Å; V801-F976 HydrophobicContact CG2-CZ 4.35Å
802T82Confident75.2Confident41 Ų4162 Ų6225%0.25235%0.348SS..  trans-66.1109.1172.5-77.80000110.8E862 A864 L865 R950T802-E862 WeakPolarHBondContact CA-OE2 3.43Å; T802-E862 VanDerWaalsContact CB-OE2 3.26Å; T802-E862 WeakPolarHBondContact CB-OE2 3.32Å; T802-E862 HydrophobicContact CG2-CB 4.25Å; T802-E862 WeakPolarHBondContact CG2-OE2 3.5Å; T802-E862 PolarHBondContact OG1-OE2 2.7Å; T802-A864 HydrophobicContact CG2-CB 4.09Å; T802-L865 HydrophobicContact CG2-CD1 4.05Å; T802-L865 HydrophobicContact CG2-CD2 3.45Å; T802-L865 VanDerWaalsContact CG2-CD2 3.45Å; T802-L865 HydrophobicContact CG2-CG 3.47Å; T802-L865 VanDerWaalsContact CG2-CG 3.47Å; T802-R950 PolarHBondContact OG1-NH1 3.48Å
803V83.1Confident75.3Confident12 Ų1262 Ų627%0.07335%0.348CS..  trans-115.6139.7178171.80000111.5V801 R913 N946 I973 F976 V977V801-V803 HydrophobicContact CG1-CG2 4.21Å; V801-V803 PolarHBondContact O-N 3.03Å; V801-V803 VanDerWaalsContact O-N 3.09Å; V803-R913 PolarHBondContact O-NH1 3.24Å; V803-R913 VanDerWaalsContact O-NH1 3.17Å; V803-R913 PolarHBondContact O-NH2 3.44Å; V803-N946 PolarHBondContact N-ND2 3.25Å; V803-N946 PolarHBondContact O-ND2 3.44Å; V803-I973 HydrophobicContact CG1-CD1 3.67Å; V803-I973 HydrophobicContact CG1-CG1 3.42Å; V803-I973 VanDerWaalsContact CG1-CG1 3.42Å; V803-F976 HydrophobicContact CG2-CD1 4.03Å; V803-F976 HydrophobicContact CG2-CE1 3.97Å; V803-V977 HydrophobicContact CB-CG2 4.03Å; V803-V977 HydrophobicContact CG1-CG2 3.77Å; V803-V977 HydrophobicContact CG2-CG2 3.98Å
804W81.2Confident75.4Confident40 Ų4053.3 Ų53.315%0.15231%0.311CS..  trans-139.4133.6169.5171.2-109000110.1L865 L906 L910W804-L865 HydrophobicContact CB-CD2 3.62Å; W804-L906 HydrophobicContact CH2-CD1 4.35Å; W804-L906 HydrophobicContact CH2-CG 4.06Å; W804-L906 HydrophobicContact CZ3-CD1 4.39Å; W804-L910 HydrophobicContact CD2-CD1 3.88Å; W804-L910 HydrophobicContact CD2-CD2 4.25Å; W804-L910 HydrophobicContact CE3-CD1 3.78Å; W804-L910 HydrophobicContact CG-CD1 4.32Å; W804-L910 HydrophobicContact CH2-CB 4.15Å; W804-L910 HydrophobicContact CH2-CD2 4.2Å; W804-L910 HydrophobicContact CZ2-CD2 3.86Å; W804-L910 HydrophobicContact CZ3-CB 4.19Å; W804-L910 HydrophobicContact CZ3-CD1 4.13Å
805L82.8Confident75.3Confident13 Ų1345.8 Ų45.87%0.06829%0.292CS..  trans-100.1108.1172173.359.3000107.8A809 V939 I942 L971 I973L805-A809 HydrophobicContact CD1-CB 3.91Å; L805-V939 HydrophobicContact CB-CG1 4.32Å; L805-V939 HydrophobicContact CD2-CB 4.28Å; L805-V939 HydrophobicContact CD2-CG1 4.21Å; L805-V939 HydrophobicContact CD2-CG2 3.9Å; L805-V939 HydrophobicContact CG-CG1 4.2Å; L805-V939 HydrophobicContact CG-CG2 4.46Å; L805-I942 HydrophobicContact CB-CG2 4.25Å; L805-I942 HydrophobicContact CD2-CG2 4.18Å; L805-L971 HydrophobicContact CD1-CD2 4.3Å; L805-L971 HydrophobicContact CD2-CD2 3.54Å; L805-I973 HydrophobicContact CB-CG2 4.3Å; L805-I973 HydrophobicContact CD1-CG2 4.18Å; L805-I973 HydrophobicContact CD2-CG2 4.17Å; L805-I973 HydrophobicContact CG-CG2 4.46Å
806S76.7Confident75.1Confident28 Ų2851.7 Ų51.720%0.19632%0.318CS..  trans-64.5141.1175.6-164.20000110.6D808 A809S806-D808 PolarHBondContact O-N 3.26Å; S806-D808 VanDerWaalsContact OG-CG 3.3Å; S806-D808 PolarHBondContact OG-N 3.23Å; S806-D808 PolarHBondContact OG-OD2 3.05Å; S806-A809 VanDerWaalsContact O-CB 3.29Å; S806-A809 WeakPolarHBondContact O-CB 3.42Å; S806-A809 PolarHBondContact O-N 3.37Å
807T77.9Confident75.1Confident1 Ų149.3 Ų49.31%0.00630%0.304CS..G310 helixtrans-67.2-18.217453.30000112.3A809 K810 G811 I812 L814 L903 L906 V939T807-A809 PolarHBondContact O-N 3.09Å; T807-K810 CarbonylContact O-C 3.28Å; T807-K810 WeakPolarHBondContact O-CA 3.2Å; T807-K810 WeakPolarHBondContact O-CB 3.23Å; T807-K810 PolarHBondContact O-N 3.47Å; T807-G811 PolarHBondContact O-N 2.88Å; T807-I812 PolarHBondContact O-N 2.78Å; T807-I812 VanDerWaalsContact O-N 3.09Å; T807-L814 WeakPolarHBondContact OG1-CD1 3.49Å; T807-L903 HydrophobicContact CG2-CD1 3.76Å; T807-L906 HydrophobicContact CG2-CD2 3.78Å; T807-V939 HydrophobicContact CG2-CG1 4.24Å
808D74.6Confident74.9Confident94 Ų9448.2 Ų48.250%0.50330%0.298SS..G310 helixtrans-57.4-34.2168.5-46.9-50000111.5S806 K810 G811S806-D808 PolarHBondContact O-N 3.26Å; S806-D808 VanDerWaalsContact OG-CG 3.3Å; S806-D808 PolarHBondContact OG-N 3.23Å; S806-D808 PolarHBondContact OG-OD2 3.05Å; D808-K810 PolarHBondContact O-N 3.01Å; D808-G811 WeakPolarHBondContact O-CA 3.33Å; D808-G811 PolarHBondContact O-N 3.04Å
809A73Confident75Confident70 Ų7049.5 Ų49.558%0.57930%0.299SS*.G310 helixtrans-69.6-10.9176.500000113.3L805 S806 T807L805-A809 HydrophobicContact CD1-CB 3.91Å; S806-A809 VanDerWaalsContact O-CB 3.29Å; S806-A809 WeakPolarHBondContact O-CB 3.42Å; S806-A809 PolarHBondContact O-N 3.37Å; T807-A809 PolarHBondContact O-N 3.09Å
810K75.3Confident74.9Confident59 Ų5946.5 Ų46.526%0.25728%0.279SS..G310 helixtrans-104.87.2169.3-66.8-75-172.5155.50112.2T807 D808 I812 G935 V936 D938 V939 S968T807-K810 CarbonylContact O-C 3.28Å; T807-K810 WeakPolarHBondContact O-CA 3.2Å; T807-K810 WeakPolarHBondContact O-CB 3.23Å; T807-K810 PolarHBondContact O-N 3.47Å; D808-K810 PolarHBondContact O-N 3.01Å; K810-I812 HydrophobicContact CB-CD1 4.35Å; K810-I812 HydrophobicContact CB-CG1 4.37Å; K810-G935 PolarHBondContact NZ-O 3.41Å; K810-G935 VanDerWaalsContact NZ-O 3.09Å; K810-V936 HydrophobicContact CB-CG1 4.34Å; K810-V936 HydrophobicContact CD-CG1 4.32Å; K810-V936 HydrophobicContact CG-CG1 4.36Å; K810-D938 WeakPolarHBondContact CE-OD1 3.33Å; K810-D938 WeakPolarHBondContact CE-OD2 3.46Å; K810-D938 IonicContact NZ-OD1 3.62Å; K810-D938 PolarHBondContact NZ-OD1 3.03Å; K810-D938 IonicContact NZ-OD2 3.19Å; K810-D938 PolarHBondContact NZ-OD2 3.38Å; K810-V939 HydrophobicContact CG-CG2 3.92Å; K810-S968 PolarHBondContact NZ-OG 2.93Å
811G74.4Confident74.8Confident69 Ų6952.3 Ų52.371%0.71131%0.309SS*.THydrogen-bonded Turntrans74.419.9-179.300000114.8T807 D808T807-G811 PolarHBondContact O-N 2.88Å; D808-G811 WeakPolarHBondContact O-CA 3.33Å; D808-G811 PolarHBondContact O-N 3.04Å
812I76.6Confident74.7Confident29 Ų2956 Ų5615%0.14932%0.322CS..  trans-98.7113.8-176.9-59.1176.5000110T807 K810 W902 L903 V936T807-I812 PolarHBondContact O-N 2.78Å; T807-I812 VanDerWaalsContact O-N 3.09Å; K810-I812 HydrophobicContact CB-CD1 4.35Å; K810-I812 HydrophobicContact CB-CG1 4.37Å; I812-W902 HydrophobicContact CD1-CH2 3.65Å; I812-W902 HydrophobicContact CD1-CZ2 4Å; I812-L903 HydrophobicContact CG2-CD2 3.86Å; I812-V936 HydrophobicContact CD1-CG1 4.09Å
813N72.4Confident74.2Confident74 Ų7459.4 Ų59.440%0.39634%0.344SS..  trans-83.5121.7176.9-174.86.7000111.7S815 E816 H817N813-S815 VanDerWaalsContact C-N 3.35Å; N813-S815 PolarHBondContact ND2-OG 2.91Å; N813-S815 PolarHBondContact O-N 2.62Å; N813-S815 PolarHBondContact OD1-N 2.86Å; N813-S815 PolarHBondContact OD1-OG 3.08Å; N813-S815 VanDerWaalsContact OD1-OG 3.12Å; N813-E816 HydrophobicContact CB-CG 4.39Å; N813-H817 PolarHBondContact O-ND1 3.29Å
814L72.8Confident73.6Confident7 Ų762 Ų624%0.03736%0.362CS..G310 helixtrans-68.1-29.2-179.9-91.176.4000114.2T807 E816 H817 I818 L872 I907T807-L814 WeakPolarHBondContact OG1-CD1 3.49Å; L814-E816 PolarHBondContact O-N 2.87Å; L814-E816 VanDerWaalsContact O-N 3.14Å; L814-H817 PolarHBondContact O-N 2.75Å; L814-I818 PolarHBondContact O-N 2.84Å; L814-L872 HydrophobicContact CD1-CD2 3.86Å; L814-L872 HydrophobicContact CD2-CB 3.76Å; L814-L872 HydrophobicContact CD2-CD1 3.98Å; L814-L872 HydrophobicContact CD2-CD2 3.66Å; L814-L872 HydrophobicContact CD2-CG 3.96Å; L814-L872 HydrophobicContact CG-CD2 4.39Å; L814-I907 HydrophobicContact CD2-CD1 3.39Å; L814-I907 HydrophobicContact CD2-CG1 4.2Å; L814-I907 HydrophobicContact CG-CD1 3.86Å
815S68.7Low73.3Confident63 Ų6361.6 Ų61.644%0.44136%0.364SS..G310 helixtrans-64.1-21.4-176.3660000112.7N813 H817N813-S815 VanDerWaalsContact C-N 3.35Å; N813-S815 PolarHBondContact ND2-OG 2.91Å; N813-S815 PolarHBondContact O-N 2.62Å; N813-S815 PolarHBondContact OD1-N 2.86Å; N813-S815 PolarHBondContact OD1-OG 3.08Å; N813-S815 VanDerWaalsContact OD1-OG 3.12Å; S815-H817 VanDerWaalsContact C-N 3.27Å
816E69.8Low72.8Confident145 Ų14569.8 Ų69.868%0.67841%0.407SS*.G310 helixtrans-75.3-15.6174.3-63.7169.9-162.100112.9N813 L814N813-E816 HydrophobicContact CB-CG 4.39Å; L814-E816 PolarHBondContact O-N 2.87Å; L814-E816 VanDerWaalsContact O-N 3.14Å
817H70.5Confident73Confident52 Ų5276.4 Ų76.424%0.24144%0.435CS..THydrogen-bonded Turntrans-120.3-18.5-170.2-61.480.3000113.6N813 L814 S815 S900 L903 Q904N813-H817 PolarHBondContact O-ND1 3.29Å; L814-H817 PolarHBondContact O-N 2.75Å; S815-H817 VanDerWaalsContact C-N 3.27Å; H817-S900 PolarHBondContact CD2-OG 2.76Å; H817-L903 HydrophobicContact CB-CD2 3.7Å; H817-L903 VanDerWaalsContact CG-CD2 3.48Å; H817-Q904 PolarHBondContact O-NE2 3.11Å
818I71.7Confident73Confident10 Ų1077.9 Ų77.95%0.05145%0.445CS..SBendtrans-132.6115.7176-61.3173.8000108.4L814 F820 L887 Q904 I907L814-I818 PolarHBondContact O-N 2.84Å; I818-F820 HydrophobicContact CB-CE2 4.01Å; I818-F820 HydrophobicContact CB-CZ 4.1Å; I818-F820 HydrophobicContact CG2-CD1 4.45Å; I818-F820 HydrophobicContact CG2-CD2 4.47Å; I818-F820 HydrophobicContact CG2-CE1 4.06Å; I818-F820 HydrophobicContact CG2-CE2 4.07Å; I818-F820 HydrophobicContact CG2-CZ 3.86Å; I818-F820 WeakPolarHBondContact O-CD2 3.25Å; I818-F820 WeakPolarHBondContact O-CE2 3.42Å; I818-F820 PolarHBondContact O-N 3.04Å; I818-F820 VanDerWaalsContact O-N 3.15Å; I818-L887 HydrophobicContact CD1-CD2 3.63Å; I818-Q904 HydrophobicContact CG1-CG 4.19Å; I818-I907 HydrophobicContact CD1-CD1 3.69Å
819S69.3Low73.6Confident77 Ų7778 Ų7854%0.53844%0.442SS..  trans-77.299.1178.1-50.90000111.3D821S819-D821 VanDerWaalsContact C-N 3.3Å
820F71.2Confident74.5Confident19 Ų1979.6 Ų79.68%0.08344%0.438CS..THydrogen-bonded Turntrans-74.1-19.3176.3-63.9-81.8000113.4I818 K822 L872 N873 P874 R886I818-F820 HydrophobicContact CB-CE2 4.01Å; I818-F820 HydrophobicContact CB-CZ 4.1Å; I818-F820 HydrophobicContact CG2-CD1 4.45Å; I818-F820 HydrophobicContact CG2-CD2 4.47Å; I818-F820 HydrophobicContact CG2-CE1 4.06Å; I818-F820 HydrophobicContact CG2-CE2 4.07Å; I818-F820 HydrophobicContact CG2-CZ 3.86Å; I818-F820 WeakPolarHBondContact O-CD2 3.25Å; I818-F820 WeakPolarHBondContact O-CE2 3.42Å; I818-F820 PolarHBondContact O-N 3.04Å; I818-F820 VanDerWaalsContact O-N 3.15Å; F820-K822 VanDerWaalsContact C-N 3.3Å; F820-K822 PolarHBondContact O-N 3.49Å; F820-L872 VanDerWaalsContact CZ-O 3.32Å; F820-L872 WeakPolarHBondContact CZ-O 3.27Å; F820-N873 WeakPolarHBondContact CD1-OD1 3.43Å; F820-N873 HydrophobicContact CE1-CB 4.16Å; F820-P874 HydrophobicContact CB-CG 4.43Å; F820-P874 HydrophobicContact CD2-CG 3.85Å; F820-P874 HydrophobicContact CE2-CG 4.28Å; F820-P874 HydrophobicContact CG-CG 4.09Å; F820-R886 PolarHBondContact O-NH1 3.31Å; F820-R886 PolarHBondContact O-NH2 2.71Å
821D70Confident75.2Confident159 Ų15976.8 Ų76.885%0.8543%0.425SS*.THydrogen-bonded Turntrans-70.1-21.3-176.2-49.5-58.1000114.4S819S819-D821 VanDerWaalsContact C-N 3.3Å
822K74.2Confident76Confident115 Ų11578 Ų7850%0.542%0.418SS..SBendtrans-66.9143.5174.1-70.2-175.1177.7-178.30109.8F820 R886F820-K822 VanDerWaalsContact C-N 3.3Å; F820-K822 PolarHBondContact O-N 3.49Å; K822-R886 VanDerWaalsContact O-CZ 3.31Å; K822-R886 PolarHBondContact O-NH1 3.09Å; K822-R886 PolarHBondContact O-NH2 3.35Å
823P72.5Confident76.6Confident112 Ų11276.8 Ų76.873%0.72741%0.412SS*.PPolyproline II helixtrans-58.3146171.526.2-34.1000110.3
824P70.9Confident77.2Confident67 Ų6775.7 Ų75.744%0.43541%0.41SS..PPolyproline II helixtrans-62.5147.6179.426-34.3000111.3L826 T882P824-L826 PolarHBondContact O-N 3.43Å; P824-T882 HydrophobicContact CB-CG2 3.44Å; P824-T882 VanDerWaalsContact CB-CG2 3.44Å; P824-T882 HydrophobicContact CG-CG2 4.46Å
825P73.2Confident77.7Confident31 Ų3178.9 Ų78.920%0.20143%0.426CS..PPolyproline II helixtrans-62.9133.2-178.824.5-33.4000111.4Q827 P828P825-Q827 PolarHBondContact O-N 2.91Å; P825-P828 HydrophobicContact CG-CB 4.27Å
826L72.9Confident78Confident185 Ų18580.2 Ų80.297%0.96945%0.45SS*.SBendtrans-56.4-32.8-179.9-79.3155.8000113.1P824P824-L826 PolarHBondContact O-N 3.43Å
827Q80.9Confident78.3Confident166 Ų16674.6 Ų74.678%0.77642%0.423SS*.SBendtrans-127.699.3170.1-66.9-175.34.300107.7P825 E829P825-Q827 PolarHBondContact O-N 2.91Å; Q827-E829 PolarHBondContact O-N 3.27Å
828P79Confident78.1Confident33 Ų3375.2 Ų75.221%0.21444%0.438CS..  trans-70.6112.6179.624.7-31.8000111.1P825 K881P825-P828 HydrophobicContact CG-CB 4.27Å; P828-K881 HydrophobicContact CB-CG 4.17Å; P828-K881 VanDerWaalsContact CB-O 3.3Å; P828-K881 WeakPolarHBondContact CB-O 3.29Å; P828-K881 HydrophobicContact CG-CD 3.95Å; P828-K881 HydrophobicContact CG-CG 3.84Å
829E86.8Confident77.7Confident96 Ų9675.3 Ų75.345%0.44944%0.441SS..  trans-73.3163.6168.4-67.7171.3-131.300111.6Q827 G884 G885 A888 R892Q827-E829 PolarHBondContact O-N 3.27Å; E829-G884 CarbonylContact O-C 3.59Å; E829-G885 WeakPolarHBondContact O-CA 3.41Å; E829-G885 PolarHBondContact O-N 3.06Å; E829-A888 HydrophobicContact CB-CB 4.12Å; E829-R892 VanDerWaalsContact CD-NH2 3.34Å; E829-R892 IonicContact OE1-CZ 3.18Å; E829-R892 IonicContact OE1-NH1 2.73Å; E829-R892 PolarHBondContact OE1-NH1 3.29Å; E829-R892 IonicContact OE1-NH2 2.85Å; E829-R892 PolarHBondContact OE1-NH2 2.8Å; E829-R892 IonicContact OE2-CZ 3.2Å; E829-R892 IonicContact OE2-NE 3.96Å; E829-R892 IonicContact OE2-NH1 2.83Å; E829-R892 PolarHBondContact OE2-NH1 2.87Å; E829-R892 IonicContact OE2-NH2 3.44Å; E829-R892 PolarHBondContact OE2-NH2 2.87Å
830E90.7Very high77.7Confident104 Ų10474.4 Ų74.449%0.48643%0.43SS..  trans-90143.7176.4-61.7-179.2160.500110.8V832 W912E830-V832 PolarHBondContact O-N 3.28Å; E830-W912 HydrophobicContact CB-CH2 3.86Å; E830-W912 HydrophobicContact CB-CZ2 3.98Å; E830-W912 HydrophobicContact CG-CH2 4.44Å; E830-W912 WeakPolarHBondContact OE2-CH2 3.36Å
831P91Very high77.5Confident0 Ų077.5 Ų77.50%045%0.446CS..  trans-78.981.9-173.532.8-35.5000111.9C833 L887 A888 I891 A908 Y911 W912P831-C833 PolarHBondContact O-N 2.89Å; P831-L887 HydrophobicContact CB-CB 3.74Å; P831-L887 HydrophobicContact CG-CB 4.34Å; P831-A888 HydrophobicContact CB-CB 4.42Å; P831-I891 HydrophobicContact CB-CD1 4.23Å; P831-A908 HydrophobicContact CB-CB 3.84Å; P831-A908 HydrophobicContact CG-CB 4.12Å; P831-Y911 VanDerWaalsContact CD-CE1 3.48Å; P831-Y911 HydrophobicContact CG-CD1 3.51Å; P831-Y911 HydrophobicContact CG-CE1 3.96Å; P831-Y911 HydrophobicContact CG-CG 3.86Å; P831-W912 PolarHBondContact O-NE1 3.23Å
832V90.6Very high77.8Confident93 Ų9370.2 Ų70.256%0.56441%0.407SS*.PPolyproline II helixtrans-74.4120.2173.2176.90000110.1E830 M920E830-V832 PolarHBondContact O-N 3.28Å; V832-M920 HydrophobicContact CB-CE 4.23Å; V832-M920 HydrophobicContact CG1-CE 4.15Å; V832-M920 HydrophobicContact CG2-CE 3.95Å
833C89.6Confident78.2Confident4 Ų464.9 Ų64.93%0.02738%0.384CS..PPolyproline II helixtrans-84.3149.4177.5-60.70000111.9P831 I835 T905 C924P831-C833 PolarHBondContact O-N 2.89Å; C833-I835 PolarHBondContact O-N 3.24Å; C833-T905 HydrophobicContact CB-CG2 3.97Å; C833-C924 HydrophobicContact CB-CB 3.88Å; C833-C924 WeakPolarHBondContact CB-SG 3.44Å; C833-C924 WeakPolarHBondContact SG-CA 3.31Å; C833-C924 WeakPolarHBondContact SG-CB 3.31Å; C833-C924 CovalentContact SG-SG 2.03Å; C833-C924 PolarHBondContact SG-SG 3.27Å
834P85.1Confident78.6Confident52 Ų5260.1 Ų60.134%0.33835%0.352SS..PPolyproline II helixtrans-66.1133.6177.2-17.330.7000111.7F837 I901 H927P834-F837 WeakPolarHBondContact O-CD1 3.49Å; P834-F837 VanDerWaalsContact O-CE1 3.26Å; P834-F837 WeakPolarHBondContact O-CE1 3.38Å; P834-I901 HydrophobicContact CG-CD1 4.41Å; P834-H927 PolarHBondContact O-CD2 3.4Å; P834-H927 VanDerWaalsContact O-CD2 3.22Å
835I82.5Confident79.2Confident73 Ų7358.4 Ų58.437%0.37434%0.339SS..  trans-108.1-29-179.7-49.2178.2000111.7C833 F837 D923 R926C833-I835 PolarHBondContact O-N 3.24Å; I835-F837 PolarHBondContact O-N 3.21Å; I835-D923 HydrophobicContact CD1-CB 4.25Å; I835-D923 HydrophobicContact CG1-CB 4.21Å; I835-R926 PolarHBondContact O-NH1 2.74Å
836G75.6Confident79.4Confident92 Ų9263.1 Ų63.195%0.94836%0.358SS*.  trans-75.546.2-17500000115.5
837F76.2Confident80Confident26 Ų2654.4 Ų54.411%0.11431%0.312CS..SBendtrans-119.7150.8172.268-84.3000110.3P834 I835 G839 T843 R926 H927 A930 Y931P834-F837 WeakPolarHBondContact O-CD1 3.49Å; P834-F837 VanDerWaalsContact O-CE1 3.26Å; P834-F837 WeakPolarHBondContact O-CE1 3.38Å; I835-F837 PolarHBondContact O-N 3.21Å; F837-G839 PolarHBondContact O-N 3.35Å; F837-T843 HydrophobicContact CE2-CG2 4.27Å; F837-R926 HydrophobicContact CZ-CB 4.42Å; F837-R926 HydrophobicContact CZ-CG 3.93Å; F837-R926 PolarHBondContact O-NH2 3.1Å; F837-H927 AromaticContact CD1-CD2 3.59Å; F837-H927 HydrophobicContact CE1-CB 3.83Å; F837-H927 AromaticContact CE1-CD2 3.55Å; F837-H927 HydrophobicContact CZ-CB 4.1Å; F837-A930 HydrophobicContact CD2-CB 4.1Å; F837-A930 HydrophobicContact CE2-CB 3.49Å; F837-A930 VanDerWaalsContact CE2-CB 3.49Å; F837-A930 HydrophobicContact CZ-CB 4.19Å; F837-Y931 HydrophobicContact CB-CE2 4.48Å; F837-Y931 HydrophobicContact CD2-CE2 4.17Å; F837-Y931 HydrophobicContact CG-CE2 4.17Å
838A66.2Low80.1Confident66 Ų6646.6 Ų46.655%0.54528%0.276SS..  trans-68118.5175.200000110.1
839G63.3Low80.3Confident12 Ų1245 Ų4512%0.12427%0.266CS..  trans-62.7139.5172.600000110.9F837F837-G839 PolarHBondContact O-N 3.35Å
840N68.8Low80.3Confident58 Ų5841.8 Ų41.831%0.3125%0.25SC..  trans-105.8173.4172.265.235.7000109.7W842 T843 A930N840-W842 PolarHBondContact O-N 3.03Å; N840-W842 VanDerWaalsContact OD1-CB 3.29Å; N840-W842 WeakPolarHBondContact OD1-CB 3.16Å; N840-W842 PolarHBondContact OD1-N 3.44Å; N840-W842 VanDerWaalsContact OD1-N 3.09Å; N840-T843 PolarHBondContact O-N 3.44Å; N840-T843 PolarHBondContact O-OG1 3.08Å; N840-A930 PolarHBondContact ND2-O 2.03Å
841M68.2Low80Confident83 Ų8340.4 Ų40.441%0.40925%0.252SS..THydrogen-bonded Turntrans-56.6-23.2-176.4-69.1178.670.700114.3A99 L101A99-M841 HydrophobicContact CB-CB 4.07Å; A99-M841 HydrophobicContact CB-SD 4.11Å; L101-M841 HydrophobicContact CD2-CE 4.28Å
842W75.8Confident79.6Confident7 Ų742.4 Ų42.43%0.02726%0.261CS..THydrogen-bonded Turntrans-73.9-24.1177.2-56.991.1000113.6V98 N840 M844 I929 V934 K937 M963 L967V98-W842 HydrophobicContact CB-CH2 4.33Å; V98-W842 HydrophobicContact CG2-CH2 4.34Å; N840-W842 PolarHBondContact O-N 3.03Å; N840-W842 VanDerWaalsContact OD1-CB 3.29Å; N840-W842 WeakPolarHBondContact OD1-CB 3.16Å; N840-W842 PolarHBondContact OD1-N 3.44Å; N840-W842 VanDerWaalsContact OD1-N 3.09Å; W842-M844 VanDerWaalsContact C-N 3.29Å; W842-M844 PolarHBondContact O-N 3.45Å; W842-I929 HydrophobicContact CB-CG2 3.82Å; W842-I929 WeakPolarHBondContact O-CG2 3.26Å; W842-V934 HydrophobicContact CH2-CG1 4.1Å; W842-V934 HydrophobicContact CZ2-CG1 4.34Å; W842-K937 HydrophobicContact CB-CD 4.18Å; W842-K937 HydrophobicContact CD2-CD 3.56Å; W842-K937 HydrophobicContact CE3-CD 3.66Å; W842-K937 HydrophobicContact CG-CD 3.79Å; W842-K937 HydrophobicContact CZ3-CD 4.29Å; W842-M963 HydrophobicContact CD2-CE 4.36Å; W842-M963 HydrophobicContact CE3-CE 3.53Å; W842-M963 HydrophobicContact CH2-CE 3.81Å; W842-M963 HydrophobicContact CZ3-CE 3.21Å; W842-M963 HydrophobicContact CZ3-CG 4.5Å; W842-L967 HydrophobicContact CH2-CD2 3.91Å; W842-L967 HydrophobicContact CZ3-CD1 3.91Å; W842-L967 HydrophobicContact CZ3-CD2 3.85Å; W842-L967 HydrophobicContact CZ3-CG 4.15Å
843T82Confident79.3Confident3 Ų339.4 Ų39.42%0.01824%0.24CC..THydrogen-bonded Turntrans-75.3-20.4-178.466.80000113.1F837 N840 D845 R926 A930F837-T843 HydrophobicContact CE2-CG2 4.27Å; N840-T843 PolarHBondContact O-N 3.44Å; N840-T843 PolarHBondContact O-OG1 3.08Å; T843-D845 VanDerWaalsContact C-N 3.27Å; T843-D845 WeakPolarHBondContact CB-OD1 3.36Å; T843-D845 PolarHBondContact O-N 3Å; T843-D845 VanDerWaalsContact OG1-CG 3.3Å; T843-D845 PolarHBondContact OG1-OD1 3.45Å; T843-R926 HydrophobicContact CG2-CG 4.06Å; T843-A930 HydrophobicContact CG2-CB 3.75Å
844M81.4Confident79Confident12 Ų1244.9 Ų44.96%0.05927%0.268CS..  trans54.737176.2-53.9-174-170.500114.6W842 H846 L847 L941 I959 V960 M963W842-M844 VanDerWaalsContact C-N 3.29Å; W842-M844 PolarHBondContact O-N 3.45Å; M844-H846 PolarHBondContact O-N 3.48Å; M844-L847 HydrophobicContact CB-CD1 3.67Å; M844-L847 HydrophobicContact CB-CG 4.03Å; M844-L847 HydrophobicContact CG-CD1 4.41Å; M844-L847 WeakPolarHBondContact O-CG 3.5Å; M844-L847 PolarHBondContact O-N 2.8Å; M844-L847 HydrophobicContact SD-CD1 3.92Å; M844-L941 HydrophobicContact CE-CD2 3.83Å; M844-I959 HydrophobicContact SD-CG2 4.31Å; M844-V960 HydrophobicContact SD-CB 4.44Å; M844-V960 HydrophobicContact SD-CG2 3.76Å; M844-M963 HydrophobicContact CE-CB 3.56Å; M844-M963 HydrophobicContact CE-CE 4.5Å; M844-M963 HydrophobicContact CE-CG 3.5Å; M844-M963 VanDerWaalsContact CE-CG 3.5Å; M844-M963 HydrophobicContact CE-SD 4.35Å
845D83.1Confident78.4Confident30 Ų3047.5 Ų47.516%0.1628%0.279CS..THydrogen-bonded Turntrans-55.4-11.8-179.6-64.89.3000114.7T843 Y850 R926T843-D845 VanDerWaalsContact C-N 3.27Å; T843-D845 WeakPolarHBondContact CB-OD1 3.36Å; T843-D845 PolarHBondContact O-N 3Å; T843-D845 VanDerWaalsContact OG1-CG 3.3Å; T843-D845 PolarHBondContact OG1-OD1 3.45Å; D845-Y850 HydrophobicContact CB-CD1 3.79Å; D845-Y850 HydrophobicContact CB-CE1 3.88Å; D845-Y850 WeakPolarHBondContact O-CD1 3.48Å; D845-R926 VanDerWaalsContact CG-NE 3.28Å; D845-R926 WeakPolarHBondContact OD1-CD 3.27Å; D845-R926 IonicContact OD1-CZ 3.38Å; D845-R926 IonicContact OD1-NE 3.93Å; D845-R926 PolarHBondContact OD1-NE 2.89Å; D845-R926 IonicContact OD1-NH2 3.07Å; D845-R926 IonicContact OD2-CZ 2.69Å; D845-R926 IonicContact OD2-NE 2.75Å; D845-R926 PolarHBondContact OD2-NE 3.13Å; D845-R926 VanDerWaalsContact OD2-NE 3.08Å; D845-R926 IonicContact OD2-NH2 2.63Å; D845-R926 PolarHBondContact OD2-NH2 2.79Å
846H78.3Confident77.1Confident131 Ų13153.1 Ų53.161%0.60630%0.304SS*.THydrogen-bonded Turntrans-80.9-17.8177.564.5-90.1000113.8M844M844-H846 PolarHBondContact O-N 3.48Å
847L85.1Confident76.3Confident2 Ų249.7 Ų49.71%0.0127%0.265CS..SBendtrans-73.9140.2-176.9-61.3177.5000111.3N758 M844 G849 Y850 S851 Y948 I959 V960N758-L847 WeakPolarHBondContact ND2-CD2 3.47Å; M844-L847 HydrophobicContact CB-CD1 3.67Å; M844-L847 HydrophobicContact CB-CG 4.03Å; M844-L847 HydrophobicContact CG-CD1 4.41Å; M844-L847 WeakPolarHBondContact O-CG 3.5Å; M844-L847 PolarHBondContact O-N 2.8Å; M844-L847 HydrophobicContact SD-CD1 3.92Å; L847-G849 PolarHBondContact O-N 3.18Å; L847-G849 VanDerWaalsContact O-N 3.12Å; L847-Y850 PolarHBondContact O-N 2.92Å; L847-S851 PolarHBondContact O-N 3.19Å; L847-S851 VanDerWaalsContact O-N 3.14Å; L847-S851 PolarHBondContact O-OG 2.77Å; L847-Y948 HydrophobicContact CD1-CE2 4.1Å; L847-I959 HydrophobicContact CD1-CB 4.4Å; L847-I959 HydrophobicContact CD1-CG2 4.22Å; L847-I959 HydrophobicContact CD2-CB 4.29Å; L847-I959 HydrophobicContact CD2-CD1 3.58Å; L847-I959 HydrophobicContact CD2-CG2 4.1Å; L847-V960 HydrophobicContact CD1-CG2 3.57Å
848A83.2Confident75.3Confident2 Ų257.2 Ų57.22%0.01730%0.3CS..Hα-helixtrans-44.2-44173.300000113.3G756 N758 Y850 S851 Q852G756-A848 WeakPolarHBondContact O-CB 3.47Å; N758-A848 PolarHBondContact ND2-N 3.26Å; N758-A848 PolarHBondContact OD1-N 2.97Å; A848-Y850 PolarHBondContact O-N 2.94Å; A848-Y850 VanDerWaalsContact O-N 3.16Å; A848-S851 WeakPolarHBondContact CA-OG 3.45Å; A848-S851 PolarHBondContact O-N 3.09Å; A848-S851 PolarHBondContact O-OG 2.96Å; A848-Q852 WeakPolarHBondContact O-CB 3.18Å; A848-Q852 PolarHBondContact O-N 2.91Å
849G83Confident75.2Confident0 Ų054.3 Ų54.30%028%0.275CS..Hα-helixtrans-57.3-28.1177.400000115.6L847 Y948 S956L847-G849 PolarHBondContact O-N 3.18Å; L847-G849 VanDerWaalsContact O-N 3.12Å; G849-Y948 VanDerWaalsContact CA-CE1 3.48Å; G849-Y948 WeakPolarHBondContact O-CE1 3.47Å; G849-S956 PolarHBondContact N-OG 3.09Å
850Y87.2Confident75.8Confident27 Ų2761.8 Ų61.811%0.10630%0.304CS..Hα-helixtrans-89.3-45.9173.5177.4-104.7000112.4D845 L847 A848 Q852 R853 I922 R926 Y948D845-Y850 HydrophobicContact CB-CD1 3.79Å; D845-Y850 HydrophobicContact CB-CE1 3.88Å; D845-Y850 WeakPolarHBondContact O-CD1 3.48Å; L847-Y850 PolarHBondContact O-N 2.92Å; A848-Y850 PolarHBondContact O-N 2.94Å; A848-Y850 VanDerWaalsContact O-N 3.16Å; Y850-Q852 VanDerWaalsContact C-N 3.26Å; Y850-Q852 PolarHBondContact O-N 3.07Å; Y850-R853 VanDerWaalsContact CE2-NH1 3.29Å; Y850-R853 VanDerWaalsContact CZ-NH1 3.26Å; Y850-R853 WeakPolarHBondContact O-CB 3.38Å; Y850-R853 WeakPolarHBondContact O-CD 3.05Å; Y850-R853 VanDerWaalsContact O-CG 3.26Å; Y850-R853 WeakPolarHBondContact O-CG 3.39Å; Y850-R853 PolarHBondContact O-N 3.19Å; Y850-R853 PolarHBondContact O-NH1 2.96Å; Y850-R853 PolarHBondContact OH-NH2 2.97Å; Y850-I922 HydrophobicContact CD2-CG2 3.65Å; Y850-I922 HydrophobicContact CE2-CG2 4.35Å; Y850-R926 HydrophobicContact CE2-CG 4.42Å; Y850-R926 VanDerWaalsContact CZ-CD 3.47Å; Y850-R926 PolarHBondContact OH-NE 2.71Å; Y850-Y948 PolarHBondContact N-OH 3.12Å
851S84.3Confident76.5Confident75 Ų7563.3 Ų63.352%0.52432%0.317SS..Hα-helixtrans-67.5-28.6-176.360.60000112.4L847 A848L847-S851 PolarHBondContact O-N 3.19Å; L847-S851 VanDerWaalsContact O-N 3.14Å; L847-S851 PolarHBondContact O-OG 2.77Å; A848-S851 WeakPolarHBondContact CA-OG 3.45Å; A848-S851 PolarHBondContact O-N 3.09Å; A848-S851 PolarHBondContact O-OG 2.96Å
852Q83Confident77.3Confident42 Ų4259.4 Ų59.420%0.19630%0.298CS..THydrogen-bonded Turntrans-102.57.4179-61.9171.614.100114G756 A848 Y850 N854 L855 W953G756-Q852 PolarHBondContact O-NE2 3.33Å; A848-Q852 WeakPolarHBondContact O-CB 3.18Å; A848-Q852 PolarHBondContact O-N 2.91Å; Y850-Q852 VanDerWaalsContact C-N 3.26Å; Y850-Q852 PolarHBondContact O-N 3.07Å; Q852-N854 PolarHBondContact O-N 3.47Å; Q852-L855 HydrophobicContact CB-CD1 3.62Å; Q852-L855 HydrophobicContact CG-CD1 3.84Å; Q852-L855 WeakPolarHBondContact O-CB 3.3Å; Q852-L855 PolarHBondContact O-N 3.21Å; Q852-W953 HydrophobicContact CB-CZ2 4.19Å
853R84.1Confident77.5Confident31 Ų3161.4 Ų61.412%0.11732%0.321CS..THydrogen-bonded Turntrans-57.8-19.1-175.875.2-174.1-176.6-75.89.5115.5Y850 I922 D923Y850-R853 VanDerWaalsContact CE2-NH1 3.29Å; Y850-R853 VanDerWaalsContact CZ-NH1 3.26Å; Y850-R853 WeakPolarHBondContact O-CB 3.38Å; Y850-R853 WeakPolarHBondContact O-CD 3.05Å; Y850-R853 VanDerWaalsContact O-CG 3.26Å; Y850-R853 WeakPolarHBondContact O-CG 3.39Å; Y850-R853 PolarHBondContact O-N 3.19Å; Y850-R853 PolarHBondContact O-NH1 2.96Å; Y850-R853 PolarHBondContact OH-NH2 2.97Å; R853-I922 HydrophobicContact CB-CD1 3.7Å; R853-I922 HydrophobicContact CB-CG2 4.4Å; R853-D923 IonicContact CZ-OD1 2.94Å; R853-D923 VanDerWaalsContact CZ-OD1 3.28Å; R853-D923 IonicContact CZ-OD2 2.69Å; R853-D923 VanDerWaalsContact NE-CG 3.3Å; R853-D923 IonicContact NE-OD1 3.83Å; R853-D923 PolarHBondContact NE-OD1 3.31Å; R853-D923 IonicContact NE-OD2 3.78Å; R853-D923 PolarHBondContact NE-OD2 2.89Å; R853-D923 IonicContact NH2-OD1 2.71Å; R853-D923 PolarHBondContact NH2-OD1 2.95Å; R853-D923 IonicContact NH2-OD2 2.72Å; R853-D923 PolarHBondContact NH2-OD2 3.4Å
854N82.2Confident77.4Confident118 Ų11865.1 Ų65.163%0.63135%0.351SS*.THydrogen-bonded Turntrans-89.1-12.3178.5-68.2-13.4000113.6Q852 E856 S919Q852-N854 PolarHBondContact O-N 3.47Å; N854-E856 PolarHBondContact O-N 3.03Å; N854-S919 PolarHBondContact OD1-OG 3.09Å
855L72Confident77.5Confident107 Ų10764.9 Ų64.956%0.5635%0.35SS*.SBendtrans-68.4127.5170-83128.2000108.3Q852 T857Q852-L855 HydrophobicContact CB-CD1 3.62Å; Q852-L855 HydrophobicContact CG-CD1 3.84Å; Q852-L855 WeakPolarHBondContact O-CB 3.3Å; Q852-L855 PolarHBondContact O-N 3.21Å; L855-T857 PolarHBondContact O-N 2.86Å; L855-T857 PolarHBondContact O-OG1 3Å
856E56.3Low77.5Confident192 Ų19266.9 Ų66.990%0.89736%0.361SS*.  trans-51.398.5-173.8-72-178.8163.800111.5N854N854-E856 PolarHBondContact O-N 3.03Å
857T57.8Low77.5Confident20 Ų2065.8 Ų65.812%0.12336%0.356CS..  trans-129.786.1174.140.20000105.1R754 L855 L859 T918 N951 W953R754-T857 VanDerWaalsContact CZ-CG2 3.4Å; R754-T857 VanDerWaalsContact NH2-CG2 3.25Å; L855-T857 PolarHBondContact O-N 2.86Å; L855-T857 PolarHBondContact O-OG1 3Å; T857-L859 VanDerWaalsContact C-N 3.28Å; T857-L859 PolarHBondContact O-N 3.42Å; T857-T918 PolarHBondContact O-OG1 3.44Å; T857-N951 VanDerWaalsContact CB-OD1 3.27Å; T857-N951 WeakPolarHBondContact CB-OD1 3.02Å; T857-W953 HydrophobicContact CG2-CH2 4.32Å; T857-W953 HydrophobicContact CG2-CZ2 4.32Å
858E56.3Low77.1Confident184 Ų18466.8 Ų66.886%0.8637%0.365SS*.BIsolated β-bridgetrans-63.396.2168.8-65.8-171.115800107.7K860E858-K860 PolarHBondContact O-N 3.29Å
859L64.7Low76.9Confident4 Ų466.8 Ų66.82%0.02136%0.364CS..  trans-58.1113.1167.817985.8000105.8T857 P861 E862 R913 G916 T918 R950T857-L859 VanDerWaalsContact C-N 3.28Å; T857-L859 PolarHBondContact O-N 3.42Å; L859-P861 VanDerWaalsContact O-CD 3.29Å; L859-P861 WeakPolarHBondContact O-CD 3.45Å; L859-E862 HydrophobicContact CD2-CG 4.39Å; L859-R913 HydrophobicContact CD2-CB 4.41Å; L859-R913 HydrophobicContact CD2-CG 4.34Å; L859-G916 PolarHBondContact N-O 2.86Å; L859-G916 WeakPolarHBondContact O-CA 3.33Å; L859-T918 VanDerWaalsContact CB-OG1 3.27Å; L859-T918 WeakPolarHBondContact CB-OG1 3.26Å; L859-R950 HydrophobicContact CD1-CB 3.43Å; L859-R950 VanDerWaalsContact CD1-CB 3.43Å; L859-R950 HydrophobicContact CD1-CG 4.3Å
860K74.4Confident76.8Confident170 Ų17068.3 Ų68.374%0.73937%0.373SS*.  trans-51.9118.9178-73.5-176.3178.4177.30108.9E858 E862 R950E858-K860 PolarHBondContact O-N 3.29Å; K860-E862 PolarHBondContact O-N 2.86Å; K860-R950 PolarHBondContact O-NH2 3.48Å; K860-R950 VanDerWaalsContact O-NH2 3.16Å
861P83.6Confident76.2Confident89 Ų8974.4 Ų74.458%0.57840%0.396SS*.  trans-42.1120.9-174.3-3838.9000113L859 G863 I914L859-P861 VanDerWaalsContact O-CD 3.29Å; L859-P861 WeakPolarHBondContact O-CD 3.45Å; P861-G863 PolarHBondContact O-N 3.35Å; P861-I914 WeakPolarHBondContact CB-O 3.28Å
862E84.5Confident75.6Confident2 Ų271.8 Ų71.81%0.00938%0.376CS..  trans-80.366-175.7-67.3-167.2-98.400111.3T802 L859 K860 A864 L865 R913 R950T802-E862 WeakPolarHBondContact CA-OE2 3.43Å; T802-E862 VanDerWaalsContact CB-OE2 3.26Å; T802-E862 WeakPolarHBondContact CB-OE2 3.32Å; T802-E862 HydrophobicContact CG2-CB 4.25Å; T802-E862 WeakPolarHBondContact CG2-OE2 3.5Å; T802-E862 PolarHBondContact OG1-OE2 2.7Å; L859-E862 HydrophobicContact CD2-CG 4.39Å; K860-E862 PolarHBondContact O-N 2.86Å; E862-A864 PolarHBondContact O-N 2.73Å; E862-L865 HydrophobicContact CB-CB 4.5Å; E862-L865 HydrophobicContact CB-CD1 3.57Å; E862-L865 HydrophobicContact CB-CG 3.92Å; E862-L865 HydrophobicContact CG-CD1 4.27Å; E862-L865 WeakPolarHBondContact O-CB 3.44Å; E862-L865 PolarHBondContact O-N 3.34Å; E862-R913 VanDerWaalsContact CD-NH2 3.32Å; E862-R913 PolarHBondContact N-O 2.85Å; E862-R913 VanDerWaalsContact N-O 3.08Å; E862-R913 IonicContact OE1-CZ 3.37Å; E862-R913 VanDerWaalsContact OE1-CZ 3.29Å; E862-R913 IonicContact OE1-NE 3.69Å; E862-R913 PolarHBondContact OE1-NE 3.33Å; E862-R913 IonicContact OE1-NH2 2.87Å; E862-R913 PolarHBondContact OE1-NH2 3.34Å; E862-R913 IonicContact OE2-CZ 3.04Å; E862-R913 IonicContact OE2-NH2 3.83Å; E862-R913 PolarHBondContact OE2-NH2 3.11Å; E862-R950 VanDerWaalsContact CD-NE 3.33Å; E862-R950 IonicContact OE1-NE 2.82Å; E862-R950 WeakPolarHBondContact OE2-CD 3.46Å; E862-R950 IonicContact OE2-CZ 2.67Å; E862-R950 IonicContact OE2-NE 3.88Å; E862-R950 PolarHBondContact OE2-NE 3.07Å
863G80.9Confident75.1Confident49 Ų4969.9 Ų69.951%0.50537%0.368SS..G310 helixtrans-56-25.5-176.300000114.8P861 L865 L866P861-G863 PolarHBondContact O-N 3.35Å; G863-L865 PolarHBondContact O-N 3.31Å; G863-L866 WeakPolarHBondContact O-CB 3.41Å; G863-L866 PolarHBondContact O-N 3.22Å; G863-L866 VanDerWaalsContact O-N 3.13Å
864A79Confident74.3Confident80 Ų8072.5 Ų72.566%0.66139%0.389SS*.G310 helixtrans-64.8-22.5173.400000113.6T802 E862 L866T802-A864 HydrophobicContact CG2-CB 4.09Å; E862-A864 PolarHBondContact O-N 2.73Å; A864-L866 VanDerWaalsContact C-N 3.29Å
865L84.4Confident73.6Confident7 Ų771.3 Ų71.34%0.03738%0.382CS..G310 helixtrans-80.1-9.9175.5-60.6177.8000113.3T802 W804 E862 G863 E867 A868 L869 L910 R913 I914T802-L865 HydrophobicContact CG2-CD1 4.05Å; T802-L865 HydrophobicContact CG2-CD2 3.45Å; T802-L865 VanDerWaalsContact CG2-CD2 3.45Å; T802-L865 HydrophobicContact CG2-CG 3.47Å; T802-L865 VanDerWaalsContact CG2-CG 3.47Å; W804-L865 HydrophobicContact CB-CD2 3.62Å; E862-L865 HydrophobicContact CB-CB 4.5Å; E862-L865 HydrophobicContact CB-CD1 3.57Å; E862-L865 HydrophobicContact CB-CG 3.92Å; E862-L865 HydrophobicContact CG-CD1 4.27Å; E862-L865 WeakPolarHBondContact O-CB 3.44Å; E862-L865 PolarHBondContact O-N 3.34Å; G863-L865 PolarHBondContact O-N 3.31Å; L865-E867 VanDerWaalsContact C-N 3.27Å; L865-E867 PolarHBondContact O-N 3.5Å; L865-A868 WeakPolarHBondContact O-CA 3.33Å; L865-A868 WeakPolarHBondContact O-CB 3.2Å; L865-A868 PolarHBondContact O-N 2.64Å; L865-L869 PolarHBondContact O-N 2.91Å; L865-L910 HydrophobicContact CB-CD1 3.85Å; L865-L910 HydrophobicContact CD1-CD1 3.62Å; L865-L910 HydrophobicContact CD2-CD1 4.19Å; L865-L910 HydrophobicContact CG-CD1 4.08Å; L865-R913 HydrophobicContact CD1-CB 4.05Å; L865-R913 VanDerWaalsContact CD1-CZ 3.49Å; L865-R913 VanDerWaalsContact CD1-NH2 3.31Å; L865-I914 HydrophobicContact CB-CD1 4.08Å; L865-I914 HydrophobicContact CB-CG1 3.65Å
866L82.8Confident73.4Confident72 Ų7274.5 Ų74.538%0.37739%0.387SS..Hα-helixtrans-56.2-44.1177178.457.9000111.3G863 A864 A868 L869 V870 V880G863-L866 WeakPolarHBondContact O-CB 3.41Å; G863-L866 PolarHBondContact O-N 3.22Å; G863-L866 VanDerWaalsContact O-N 3.13Å; A864-L866 VanDerWaalsContact C-N 3.29Å; L866-A868 VanDerWaalsContact C-N 3.32Å; L866-A868 PolarHBondContact O-N 3.29Å; L866-L869 PolarHBondContact O-N 3.11Å; L866-V870 HydrophobicContact CD1-CG2 4.07Å; L866-V870 WeakPolarHBondContact O-CB 3.41Å; L866-V870 VanDerWaalsContact O-CG2 3.31Å; L866-V870 WeakPolarHBondContact O-CG2 3.33Å; L866-V870 PolarHBondContact O-N 2.95Å; L866-V880 HydrophobicContact CD1-CG2 3.18Å
867E77.7Confident74Confident109 Ų10973.7 Ų73.751%0.50939%0.388SS..Hα-helixtrans-65.9-36.5177.2-161.3-168.7167.300111.6L865 V870 R871L865-E867 VanDerWaalsContact C-N 3.27Å; L865-E867 PolarHBondContact O-N 3.5Å; E867-V870 PolarHBondContact O-N 3.13Å; E867-R871 HydrophobicContact CG-CG 4.29Å; E867-R871 VanDerWaalsContact O-CB 3.29Å; E867-R871 WeakPolarHBondContact O-CB 3.49Å; E867-R871 VanDerWaalsContact O-CG 3.24Å; E867-R871 WeakPolarHBondContact O-CG 3.29Å; E867-R871 PolarHBondContact O-N 2.88Å; E867-R871 IonicContact OE1-CZ 2.68Å; E867-R871 IonicContact OE1-NE 3.64Å; E867-R871 PolarHBondContact OE1-NE 2.74Å; E867-R871 IonicContact OE1-NH2 3.78Å; E867-R871 PolarHBondContact OE1-NH2 3.27Å; E867-R871 IonicContact OE2-NH2 2.87Å
868A77.4Confident74.9Confident23 Ų2374.2 Ų74.219%0.1939%0.389CS..Hα-helixtrans-61.2-49.7174.700000110.8L865 L866 V870 R871 L872 L910L865-A868 WeakPolarHBondContact O-CA 3.33Å; L865-A868 WeakPolarHBondContact O-CB 3.2Å; L865-A868 PolarHBondContact O-N 2.64Å; L866-A868 VanDerWaalsContact C-N 3.32Å; L866-A868 PolarHBondContact O-N 3.29Å; A868-V870 PolarHBondContact O-N 3.13Å; A868-R871 PolarHBondContact O-N 3.21Å; A868-L872 WeakPolarHBondContact O-CG 3.37Å; A868-L872 PolarHBondContact O-N 3.28Å; A868-L910 HydrophobicContact CB-CD2 4.47Å
869L79.6Confident76.1Confident1 Ų168.4 Ų68.41%0.00537%0.368CS..Hα-helixtrans-64.5-37.6178.5-174.367.5000112.8L865 L866 L872 V880 I883 I907 L910 Y911 I914L865-L869 PolarHBondContact O-N 2.91Å; L866-L869 PolarHBondContact O-N 3.11Å; L869-L872 PolarHBondContact O-N 3.26Å; L869-V880 HydrophobicContact CD2-CG1 4.15Å; L869-I883 HydrophobicContact CD1-CG2 3.91Å; L869-I883 HydrophobicContact CD2-CG2 4.17Å; L869-I883 HydrophobicContact CG-CD1 4.33Å; L869-I883 HydrophobicContact CG-CG2 4.04Å; L869-I907 HydrophobicContact CD1-CG2 3.86Å; L869-L910 HydrophobicContact CB-CD2 4.06Å; L869-L910 HydrophobicContact CB-CG 4.49Å; L869-L910 HydrophobicContact CD1-CD2 4.1Å; L869-Y911 HydrophobicContact CD2-CD2 4.45Å; L869-I914 HydrophobicContact CB-CD1 3.63Å; L869-I914 HydrophobicContact CD2-CD1 3.66Å; L869-I914 HydrophobicContact CG-CD1 4.25Å
870V80.1Confident77Confident32 Ų3270 Ų7019%0.19438%0.378CS..Hα-helixtrans-72.5-34.8177.7172.80000111.9L866 E867 A868 L872 N873 R876L866-V870 HydrophobicContact CD1-CG2 4.07Å; L866-V870 WeakPolarHBondContact O-CB 3.41Å; L866-V870 VanDerWaalsContact O-CG2 3.31Å; L866-V870 WeakPolarHBondContact O-CG2 3.33Å; L866-V870 PolarHBondContact O-N 2.95Å; E867-V870 PolarHBondContact O-N 3.13Å; A868-V870 PolarHBondContact O-N 3.13Å; V870-L872 VanDerWaalsContact C-N 3.27Å; V870-L872 PolarHBondContact O-N 2.69Å; V870-N873 PolarHBondContact O-N 2.75Å; V870-N873 VanDerWaalsContact O-N 3.12Å; V870-R876 HydrophobicContact CG1-CB 4.08Å; V870-R876 HydrophobicContact CG1-CG 4.45Å
871R75.7Confident77.6Confident155 Ų15567.6 Ų67.659%0.58537%0.367SS*.Hα-helixtrans-65.2-28.8174.6-79.9176.7-179.7-156.57.9113.1E867 A868 N873E867-R871 HydrophobicContact CG-CG 4.29Å; E867-R871 VanDerWaalsContact O-CB 3.29Å; E867-R871 WeakPolarHBondContact O-CB 3.49Å; E867-R871 VanDerWaalsContact O-CG 3.24Å; E867-R871 WeakPolarHBondContact O-CG 3.29Å; E867-R871 PolarHBondContact O-N 2.88Å; E867-R871 IonicContact OE1-CZ 2.68Å; E867-R871 IonicContact OE1-NE 3.64Å; E867-R871 PolarHBondContact OE1-NE 2.74Å; E867-R871 IonicContact OE1-NH2 3.78Å; E867-R871 PolarHBondContact OE1-NH2 3.27Å; E867-R871 IonicContact OE2-NH2 2.87Å; A868-R871 PolarHBondContact O-N 3.21Å; R871-N873 PolarHBondContact O-N 3.15Å
872L71.9Confident77.6Confident21 Ų2164.7 Ų64.711%0.1135%0.348CS..THydrogen-bonded Turntrans-69.4-13.1174.1-67.9175.4000113L814 F820 A868 L869 V870 I907 L910L814-L872 HydrophobicContact CD1-CD2 3.86Å; L814-L872 HydrophobicContact CD2-CB 3.76Å; L814-L872 HydrophobicContact CD2-CD1 3.98Å; L814-L872 HydrophobicContact CD2-CD2 3.66Å; L814-L872 HydrophobicContact CD2-CG 3.96Å; L814-L872 HydrophobicContact CG-CD2 4.39Å; F820-L872 VanDerWaalsContact CZ-O 3.32Å; F820-L872 WeakPolarHBondContact CZ-O 3.27Å; A868-L872 WeakPolarHBondContact O-CG 3.37Å; A868-L872 PolarHBondContact O-N 3.28Å; L869-L872 PolarHBondContact O-N 3.26Å; V870-L872 VanDerWaalsContact C-N 3.27Å; V870-L872 PolarHBondContact O-N 2.69Å; L872-I907 HydrophobicContact CD1-CG2 4.32Å; L872-L910 HydrophobicContact CD1-CD2 4.04Å
873N71.2Confident77.6Confident2 Ų265.1 Ų65.11%0.01135%0.35CS..SBendtrans-97.8122.1174.6-164.4-22.1000110.5F820 V870 R871 N875 E878 I883F820-N873 WeakPolarHBondContact CD1-OD1 3.43Å; F820-N873 HydrophobicContact CE1-CB 4.16Å; V870-N873 PolarHBondContact O-N 2.75Å; V870-N873 VanDerWaalsContact O-N 3.12Å; R871-N873 PolarHBondContact O-N 3.15Å; N873-N875 VanDerWaalsContact CG-O 3.32Å; N873-N875 PolarHBondContact ND2-O 3.39Å; N873-N875 PolarHBondContact O-N 2.63Å; N873-N875 PolarHBondContact OD1-N 2.78Å; N873-N875 PolarHBondContact OD1-O 3.43Å; N873-E878 PolarHBondContact ND2-OE2 3.23Å; N873-I883 HydrophobicContact CB-CD1 4.48Å
874P67.9Low77.9Confident86 Ų8662.8 Ų62.856%0.55833%0.326SS*.SBendtrans-53.4-37.2170.4-25.334.6000112.2F820 R876F820-P874 HydrophobicContact CB-CG 4.43Å; F820-P874 HydrophobicContact CD2-CG 3.85Å; F820-P874 HydrophobicContact CE2-CG 4.28Å; F820-P874 HydrophobicContact CG-CG 4.09Å; P874-R876 PolarHBondContact O-N 3.45Å
875N67.1Low78.4Confident92 Ų9259 Ų5949%0.49230%0.296SS..SBendtrans-93.983.1175.5-69.2-32.2000110.4N873 L877 E878N873-N875 VanDerWaalsContact CG-O 3.32Å; N873-N875 PolarHBondContact ND2-O 3.39Å; N873-N875 PolarHBondContact O-N 2.63Å; N873-N875 PolarHBondContact OD1-N 2.78Å; N873-N875 PolarHBondContact OD1-O 3.43Å; N875-L877 PolarHBondContact O-N 2.93Å; N875-E878 HydrophobicContact CB-CG 4.49Å; N875-E878 PolarHBondContact O-N 3.22Å
876R68.7Low78.4Confident175 Ų17559.8 Ų59.866%0.6630%0.298SS*.THydrogen-bonded Turntrans-58.85.2-179.6-61.1-174.7-179.7-171.30.9116.5V870 P874V870-R876 HydrophobicContact CG1-CB 4.08Å; V870-R876 HydrophobicContact CG1-CG 4.45Å; P874-R876 PolarHBondContact O-N 3.45Å
877L68.9Low78.7Confident175 Ų17556.5 Ų56.592%0.91628%0.281SS*.THydrogen-bonded Turntrans-98.8-8.8-178.3-65172.5000113.4N875N875-L877 PolarHBondContact O-N 2.93Å
878E75.5Confident79.2Confident31 Ų3151.6 Ų51.615%0.14526%0.259CS..SBendtrans-76.1141.9-179-62.9-167.3159.200112.7N873 N875 T882 I883 R886N873-E878 PolarHBondContact ND2-OE2 3.23Å; N875-E878 HydrophobicContact CB-CG 4.49Å; N875-E878 PolarHBondContact O-N 3.22Å; E878-T882 HydrophobicContact CB-CG2 4.15Å; E878-T882 HydrophobicContact CG-CG2 4.29Å; E878-I883 HydrophobicContact CB-CG1 4.27Å; E878-R886 VanDerWaalsContact CD-NE 3.34Å; E878-R886 IonicContact OE1-CZ 3.28Å; E878-R886 VanDerWaalsContact OE1-CZ 3.28Å; E878-R886 IonicContact OE1-NE 2.77Å; E878-R886 PolarHBondContact OE1-NE 2.87Å; E878-R886 IonicContact OE1-NH2 2.69Å; E878-R886 PolarHBondContact OE1-NH2 3.12Å; E878-R886 WeakPolarHBondContact OE2-CD 3.35Å; E878-R886 IonicContact OE2-CZ 3.78Å; E878-R886 IonicContact OE2-NE 3Å; E878-R886 PolarHBondContact OE2-NE 3.34Å; E878-R886 IonicContact OE2-NH2 3.94Å
879S82Confident79.6Confident62 Ų6254.4 Ų54.443%0.43427%0.268SS..  trans-70.2155.4176.881.20000111.9K881 T882 I883S879-K881 PolarHBondContact O-N 3.38Å; S879-K881 PolarHBondContact OG-N 2.92Å; S879-T882 WeakPolarHBondContact O-CA 3.32Å; S879-T882 VanDerWaalsContact O-CB 3.27Å; S879-T882 WeakPolarHBondContact O-CB 3.46Å; S879-T882 PolarHBondContact O-N 3.07Å; S879-T882 PolarHBondContact OG-N 2.92Å; S879-T882 VanDerWaalsContact OG-N 3.07Å; S879-T882 PolarHBondContact OG-OG1 2.87Å; S879-I883 PolarHBondContact O-N 2.92Å
880V84.1Confident79.7Confident36 Ų3655.1 Ų55.122%0.21827%0.274CS..Hα-helixtrans-52-40.9173.3-177.30000111.4L866 L869 I883 G884 Y911L866-V880 HydrophobicContact CD1-CG2 3.18Å; L869-V880 HydrophobicContact CD2-CG1 4.15Å; V880-I883 PolarHBondContact O-N 2.87Å; V880-G884 PolarHBondContact O-N 3.12Å; V880-Y911 HydrophobicContact CG1-CD2 3.84Å; V880-Y911 HydrophobicContact CG1-CE2 3.76Å; V880-Y911 WeakPolarHBondContact O-CE2 3.11Å
881K85.7Confident80Confident120 Ų12054 Ų5452%0.52227%0.267SS..Hα-helixtrans-63.9-41.7177-159.6-177.6-1761780111.8P828 S879 G884 G885P828-K881 HydrophobicContact CB-CG 4.17Å; P828-K881 VanDerWaalsContact CB-O 3.3Å; P828-K881 WeakPolarHBondContact CB-O 3.29Å; P828-K881 HydrophobicContact CG-CD 3.95Å; P828-K881 HydrophobicContact CG-CG 3.84Å; S879-K881 PolarHBondContact O-N 3.38Å; S879-K881 PolarHBondContact OG-N 2.92Å; K881-G884 PolarHBondContact O-N 2.84Å; K881-G885 PolarHBondContact O-N 3.33Å
882T85.2Confident80.4Confident28 Ų2852.3 Ų52.317%0.17226%0.261CS..Hα-helixtrans-60.5-44.3175-50.60000111.6P824 E878 S879 G885 R886P824-T882 HydrophobicContact CB-CG2 3.44Å; P824-T882 VanDerWaalsContact CB-CG2 3.44Å; P824-T882 HydrophobicContact CG-CG2 4.46Å; E878-T882 HydrophobicContact CB-CG2 4.15Å; E878-T882 HydrophobicContact CG-CG2 4.29Å; S879-T882 WeakPolarHBondContact O-CA 3.32Å; S879-T882 VanDerWaalsContact O-CB 3.27Å; S879-T882 WeakPolarHBondContact O-CB 3.46Å; S879-T882 PolarHBondContact O-N 3.07Å; S879-T882 PolarHBondContact OG-N 2.92Å; S879-T882 VanDerWaalsContact OG-N 3.07Å; S879-T882 PolarHBondContact OG-OG1 2.87Å; T882-G885 PolarHBondContact O-N 3.45Å; T882-R886 PolarHBondContact O-N 2.94Å
883I84Confident80.8Confident11 Ų1155.5 Ų55.56%0.05629%0.285CS..Hα-helixtrans-63.4-42.8175.9-62.6168000110.5L869 N873 E878 S879 V880 G885 R886 L887L869-I883 HydrophobicContact CD1-CG2 3.91Å; L869-I883 HydrophobicContact CD2-CG2 4.17Å; L869-I883 HydrophobicContact CG-CD1 4.33Å; L869-I883 HydrophobicContact CG-CG2 4.04Å; N873-I883 HydrophobicContact CB-CD1 4.48Å; E878-I883 HydrophobicContact CB-CG1 4.27Å; S879-I883 PolarHBondContact O-N 2.92Å; V880-I883 PolarHBondContact O-N 2.87Å; I883-G885 VanDerWaalsContact C-N 3.35Å; I883-G885 PolarHBondContact O-N 3.43Å; I883-R886 PolarHBondContact O-N 2.97Å; I883-L887 HydrophobicContact CG2-CD1 4.05Å; I883-L887 WeakPolarHBondContact O-CG 3.12Å; I883-L887 PolarHBondContact O-N 2.88Å
884G87.8Confident81Confident0 Ų055.9 Ų55.90%029%0.287CS..Hα-helixtrans-55.5-45.8172.300000113E829 V880 K881 R886 L887 A888E829-G884 CarbonylContact O-C 3.59Å; V880-G884 PolarHBondContact O-N 3.12Å; K881-G884 PolarHBondContact O-N 2.84Å; G884-R886 PolarHBondContact O-N 3.07Å; G884-L887 WeakPolarHBondContact O-CB 3.42Å; G884-L887 PolarHBondContact O-N 3.49Å; G884-A888 WeakPolarHBondContact O-CB 3.33Å; G884-A888 PolarHBondContact O-N 3.18Å
885G88.3Confident80.6Confident2 Ų260 Ų602%0.02130%0.297CS..Hα-helixtrans-62.3-41.7175.800000113.5E829 K881 T882 I883 A888 E889E829-G885 WeakPolarHBondContact O-CA 3.41Å; E829-G885 PolarHBondContact O-N 3.06Å; K881-G885 PolarHBondContact O-N 3.33Å; T882-G885 PolarHBondContact O-N 3.45Å; I883-G885 VanDerWaalsContact C-N 3.35Å; I883-G885 PolarHBondContact O-N 3.43Å; G885-A888 PolarHBondContact O-N 2.87Å; G885-E889 PolarHBondContact O-N 3.22Å
886R85.8Confident80Confident22 Ų2263.4 Ų63.48%0.08332%0.315CS..Hα-helixtrans-61.8-42.4173.4-71.3-176.7177.4-77.93.3111.9F820 K822 E878 T882 I883 G884 E889 A890F820-R886 PolarHBondContact O-NH1 3.31Å; F820-R886 PolarHBondContact O-NH2 2.71Å; K822-R886 VanDerWaalsContact O-CZ 3.31Å; K822-R886 PolarHBondContact O-NH1 3.09Å; K822-R886 PolarHBondContact O-NH2 3.35Å; E878-R886 VanDerWaalsContact CD-NE 3.34Å; E878-R886 IonicContact OE1-CZ 3.28Å; E878-R886 VanDerWaalsContact OE1-CZ 3.28Å; E878-R886 IonicContact OE1-NE 2.77Å; E878-R886 PolarHBondContact OE1-NE 2.87Å; E878-R886 IonicContact OE1-NH2 2.69Å; E878-R886 PolarHBondContact OE1-NH2 3.12Å; E878-R886 WeakPolarHBondContact OE2-CD 3.35Å; E878-R886 IonicContact OE2-CZ 3.78Å; E878-R886 IonicContact OE2-NE 3Å; E878-R886 PolarHBondContact OE2-NE 3.34Å; E878-R886 IonicContact OE2-NH2 3.94Å; T882-R886 PolarHBondContact O-N 2.94Å; I883-R886 PolarHBondContact O-N 2.97Å; G884-R886 PolarHBondContact O-N 3.07Å; R886-E889 PolarHBondContact O-N 3.44Å; R886-A890 WeakPolarHBondContact O-CB 3.29Å; R886-A890 PolarHBondContact O-N 3.16Å
887L87.6Confident79.4Confident3 Ų358.3 Ų58.32%0.01631%0.306CS..Hα-helixtrans-64.9-42.4176.7-71.6165.2000111.8I818 P831 I883 G884 E889 A890 I891 I907I818-L887 HydrophobicContact CD1-CD2 3.63Å; P831-L887 HydrophobicContact CB-CB 3.74Å; P831-L887 HydrophobicContact CG-CB 4.34Å; I883-L887 HydrophobicContact CG2-CD1 4.05Å; I883-L887 WeakPolarHBondContact O-CG 3.12Å; I883-L887 PolarHBondContact O-N 2.88Å; G884-L887 WeakPolarHBondContact O-CB 3.42Å; G884-L887 PolarHBondContact O-N 3.49Å; L887-E889 PolarHBondContact O-N 3.28Å; L887-A890 PolarHBondContact O-N 3.36Å; L887-I891 VanDerWaalsContact O-CG1 3.29Å; L887-I891 WeakPolarHBondContact O-CG1 3.29Å; L887-I891 PolarHBondContact O-N 2.84Å; L887-I907 HydrophobicContact CD1-CG2 3.92Å; L887-I907 HydrophobicContact CD2-CB 3.93Å; L887-I907 HydrophobicContact CD2-CG2 3.78Å; L887-I907 HydrophobicContact CG-CG2 4.48Å
888A88.9Confident78.8Confident6 Ų652 Ų525%0.0528%0.283CS..Hα-helixtrans-60.2-43.8176.400000111.9E829 P831 G884 G885 R892E829-A888 HydrophobicContact CB-CB 4.12Å; P831-A888 HydrophobicContact CB-CB 4.42Å; G884-A888 WeakPolarHBondContact O-CB 3.33Å; G884-A888 PolarHBondContact O-N 3.18Å; G885-A888 PolarHBondContact O-N 2.87Å; A888-R892 WeakPolarHBondContact O-CG 3.45Å; A888-R892 PolarHBondContact O-N 2.79Å
889E84.7Confident78Confident83 Ų8361.5 Ų61.539%0.38832%0.318SS..Hα-helixtrans-68.4-40.9175.1-167.2170.7141.900112.6G885 R886 L887 I891 R892 S893G885-E889 PolarHBondContact O-N 3.22Å; R886-E889 PolarHBondContact O-N 3.44Å; L887-E889 PolarHBondContact O-N 3.28Å; E889-I891 PolarHBondContact O-N 3.42Å; E889-R892 PolarHBondContact O-N 3.16Å; E889-S893 WeakPolarHBondContact O-CB 3.32Å; E889-S893 PolarHBondContact O-N 3.09Å; E889-S893 PolarHBondContact O-OG 3.26Å
890A83.4Confident77.5Confident15 Ų1559.9 Ų59.912%0.12431%0.306CS..Hα-helixtrans-59.2-47.717600000111.5R886 L887 R892 S893 S894 Q904R886-A890 WeakPolarHBondContact O-CB 3.29Å; R886-A890 PolarHBondContact O-N 3.16Å; L887-A890 PolarHBondContact O-N 3.36Å; A890-R892 PolarHBondContact O-N 3.35Å; A890-S893 PolarHBondContact O-N 2.99Å; A890-S893 PolarHBondContact O-OG 3.26Å; A890-S894 WeakPolarHBondContact O-CB 3.4Å; A890-S894 PolarHBondContact O-N 3.28Å; A890-S894 PolarHBondContact O-OG 3.4Å; A890-Q904 HydrophobicContact CB-CG 3.88Å
891I86.5Confident77.6Confident10 Ų1059 Ų595%0.05130%0.3CS..Hα-helixtrans-58.1-49.2174.9-68.2166.4000110.5P831 L887 E889 S893 S894 Q904 T905 A908P831-I891 HydrophobicContact CB-CD1 4.23Å; L887-I891 VanDerWaalsContact O-CG1 3.29Å; L887-I891 WeakPolarHBondContact O-CG1 3.29Å; L887-I891 PolarHBondContact O-N 2.84Å; E889-I891 PolarHBondContact O-N 3.42Å; I891-S893 VanDerWaalsContact C-N 3.32Å; I891-S893 PolarHBondContact O-N 3.19Å; I891-S894 PolarHBondContact O-N 2.97Å; I891-S894 PolarHBondContact O-OG 3.15Å; I891-Q904 HydrophobicContact CG1-CB 3.81Å; I891-T905 HydrophobicContact CD1-CG2 4.13Å; I891-T905 HydrophobicContact CG1-CG2 4.25Å; I891-A908 HydrophobicContact CD1-CB 4.02Å
892R83.9Confident77.7Confident118 Ų11853.8 Ų53.845%0.44528%0.277SS..Hα-helixtrans-59.3-39178.3-74.8-173.2-64.4-171.9-2.1113.4E829 A888 E889 A890E829-R892 VanDerWaalsContact CD-NH2 3.34Å; E829-R892 IonicContact OE1-CZ 3.18Å; E829-R892 IonicContact OE1-NH1 2.73Å; E829-R892 PolarHBondContact OE1-NH1 3.29Å; E829-R892 IonicContact OE1-NH2 2.85Å; E829-R892 PolarHBondContact OE1-NH2 2.8Å; E829-R892 IonicContact OE2-CZ 3.2Å; E829-R892 IonicContact OE2-NE 3.96Å; E829-R892 IonicContact OE2-NH1 2.83Å; E829-R892 PolarHBondContact OE2-NH1 2.87Å; E829-R892 IonicContact OE2-NH2 3.44Å; E829-R892 PolarHBondContact OE2-NH2 2.87Å; A888-R892 WeakPolarHBondContact O-CG 3.45Å; A888-R892 PolarHBondContact O-N 2.79Å; E889-R892 PolarHBondContact O-N 3.16Å; A890-R892 PolarHBondContact O-N 3.35Å
893S79.4Confident77.8Confident88 Ų8852.4 Ų52.462%0.61527%0.269SS*.Hα-helixtrans-75.1-23.7179.771.90000113.9E889 A890 I891 K895E889-S893 WeakPolarHBondContact O-CB 3.32Å; E889-S893 PolarHBondContact O-N 3.09Å; E889-S893 PolarHBondContact O-OG 3.26Å; A890-S893 PolarHBondContact O-N 2.99Å; A890-S893 PolarHBondContact O-OG 3.26Å; I891-S893 VanDerWaalsContact C-N 3.32Å; I891-S893 PolarHBondContact O-N 3.19Å; S893-K895 VanDerWaalsContact C-N 3.27Å; S893-K895 PolarHBondContact O-N 3.4Å
894S75.1Confident78.1Confident10 Ų1052.2 Ų52.27%0.0727%0.268CS..G310 helixtrans-78.72.1-173.569.40000115.9A890 I891 D896 S897 I901A890-S894 WeakPolarHBondContact O-CB 3.4Å; A890-S894 PolarHBondContact O-N 3.28Å; A890-S894 PolarHBondContact O-OG 3.4Å; I891-S894 PolarHBondContact O-N 2.97Å; I891-S894 PolarHBondContact O-OG 3.15Å; S894-D896 PolarHBondContact O-N 3.44Å; S894-S897 PolarHBondContact O-N 3.09Å; S894-S897 VanDerWaalsContact O-N 3.08Å; S894-I901 WeakPolarHBondContact OG-CD1 3.15Å; S894-I901 WeakPolarHBondContact OG-CG1 3.49Å
895K60.9Low78.2Confident173 Ų17352.2 Ų52.275%0.75227%0.268SS*.G310 helixtrans-50.5-33.3-171.5-79.8-177.8176.4-175.10115.2S893S893-K895 VanDerWaalsContact C-N 3.27Å; S893-K895 PolarHBondContact O-N 3.4Å
896D54.5Low78.4Confident164 Ų16452.1 Ų52.188%0.87727%0.267SS*.G310 helixtrans-94.61.6-174-60-34.7000114.4S894S894-D896 PolarHBondContact O-N 3.44Å
897S55Low78.6Confident68 Ų6851.2 Ų51.248%0.47626%0.264SS..  trans-143.478.9-177.858.70000114.4S894 R899 S900S894-S897 PolarHBondContact O-N 3.09Å; S894-S897 VanDerWaalsContact O-N 3.08Å; S897-R899 PolarHBondContact O-N 2.87Å; S897-S900 PolarHBondContact O-N 3.15Å; S897-S900 VanDerWaalsContact O-N 3.16Å
898G56.9Low78.8Confident42 Ų4251.1 Ų51.143%0.43326%0.263SS..THydrogen-bonded Turntrans-57.7-2.9-179.400000117.4
899R58.7Low79Confident230 Ų23050.8 Ų50.887%0.86826%0.261SS*.THydrogen-bonded Turntrans-73.3-24.2172-79.1-173.9176.3176.80.1114.1S897 W902S897-R899 PolarHBondContact O-N 2.87Å; R899-W902 PolarHBondContact O-NE1 2.7Å; R899-W902 VanDerWaalsContact O-NE1 3.13Å
900S71.4Confident79.3Confident28 Ų2846.9 Ų46.920%0.19624%0.242CC..THydrogen-bonded Turntrans-101.6-42.2-175.8-172.50000112.7H817 S897 W902 L903 Q904H817-S900 PolarHBondContact CD2-OG 2.76Å; S897-S900 PolarHBondContact O-N 3.15Å; S897-S900 VanDerWaalsContact O-N 3.16Å; S900-W902 PolarHBondContact O-N 3.43Å; S900-L903 PolarHBondContact O-N 3.15Å; S900-Q904 PolarHBondContact O-OE1 2.91Å; S900-Q904 PolarHBondContact OG-NE2 2.83Å
901I86.1Confident79.7Confident17 Ų1746.5 Ų46.59%0.08724%0.238CC..Hα-helixtrans-47.8-28.5-169.2-165.6166.5000116.1P834 S894 L903 Q904 T905P834-I901 HydrophobicContact CG-CD1 4.41Å; S894-I901 WeakPolarHBondContact OG-CD1 3.15Å; S894-I901 WeakPolarHBondContact OG-CG1 3.49Å; I901-L903 VanDerWaalsContact C-N 3.26Å; I901-L903 PolarHBondContact O-N 2.9Å; I901-Q904 PolarHBondContact O-OE1 3.35Å; I901-T905 HydrophobicContact CG1-CG2 4.29Å; I901-T905 WeakPolarHBondContact O-CG2 3.48Å; I901-T905 PolarHBondContact O-N 3.19Å; I901-T905 PolarHBondContact O-OG1 3.3Å
902W87.2Confident80Confident11 Ų1146.6 Ų46.64%0.04224%0.237CC..Hα-helixtrans-61.3-34.3177.473.2-91000112I812 R899 S900 T905 L906 S928 A932 V936I812-W902 HydrophobicContact CD1-CH2 3.65Å; I812-W902 HydrophobicContact CD1-CZ2 4Å; R899-W902 PolarHBondContact O-NE1 2.7Å; R899-W902 VanDerWaalsContact O-NE1 3.13Å; S900-W902 PolarHBondContact O-N 3.43Å; W902-T905 WeakPolarHBondContact CA-OG1 3.39Å; W902-T905 PolarHBondContact O-OG1 3.32Å; W902-L906 HydrophobicContact CE3-CD2 4.45Å; W902-L906 HydrophobicContact CZ3-CD2 3.94Å; W902-L906 VanDerWaalsContact O-CB 3.29Å; W902-L906 WeakPolarHBondContact O-CB 3.33Å; W902-L906 PolarHBondContact O-N 3.44Å; W902-S928 WeakPolarHBondContact O-CB 3.49Å; W902-S928 PolarHBondContact O-OG 3.15Å; W902-A932 HydrophobicContact CB-CB 4.06Å; W902-A932 HydrophobicContact CD2-CB 3.7Å; W902-A932 HydrophobicContact CE3-CB 3.63Å; W902-A932 HydrophobicContact CG-CB 3.9Å; W902-A932 HydrophobicContact CZ3-CB 4.35Å; W902-V936 HydrophobicContact CH2-CB 4.33Å; W902-V936 HydrophobicContact CH2-CG2 3.69Å; W902-V936 HydrophobicContact CZ2-CG2 3.95Å; W902-V936 HydrophobicContact CZ3-CG2 4.14Å
903L88.8Confident80.4Confident0 Ų041 Ų410%022%0.216CC..Hα-helixtrans-75-43.4-178.4-176.760.7000111.6T807 I812 H817 S900 I901 T905 L906 I907T807-L903 HydrophobicContact CG2-CD1 3.76Å; I812-L903 HydrophobicContact CG2-CD2 3.86Å; H817-L903 HydrophobicContact CB-CD2 3.7Å; H817-L903 VanDerWaalsContact CG-CD2 3.48Å; S900-L903 PolarHBondContact O-N 3.15Å; I901-L903 VanDerWaalsContact C-N 3.26Å; I901-L903 PolarHBondContact O-N 2.9Å; L903-T905 VanDerWaalsContact C-N 3.29Å; L903-T905 PolarHBondContact O-N 3.5Å; L903-L906 HydrophobicContact CD1-CD2 4.38Å; L903-L906 WeakPolarHBondContact O-CB 3.27Å; L903-L906 PolarHBondContact O-N 2.84Å; L903-I907 HydrophobicContact CD1-CD1 4.12Å; L903-I907 HydrophobicContact CD1-CG1 4.46Å; L903-I907 HydrophobicContact CG-CD1 3.96Å; L903-I907 WeakPolarHBondContact O-CD1 3.3Å; L903-I907 VanDerWaalsContact O-CG1 3.27Å; L903-I907 WeakPolarHBondContact O-CG1 3.41Å; L903-I907 PolarHBondContact O-N 3.31Å
904Q88.5Confident80.9Confident6 Ų637.6 Ų37.63%0.02819%0.191CC..Hα-helixtrans-64.6-37.1175.2-59.880.92.300110.9H817 I818 A890 I891 S900 I901 I907 A908H817-Q904 PolarHBondContact O-NE2 3.11Å; I818-Q904 HydrophobicContact CG1-CG 4.19Å; A890-Q904 HydrophobicContact CB-CG 3.88Å; I891-Q904 HydrophobicContact CG1-CB 3.81Å; S900-Q904 PolarHBondContact O-OE1 2.91Å; S900-Q904 PolarHBondContact OG-NE2 2.83Å; I901-Q904 PolarHBondContact O-OE1 3.35Å; Q904-I907 PolarHBondContact O-N 2.97Å; Q904-A908 WeakPolarHBondContact O-CB 3.43Å; Q904-A908 PolarHBondContact O-N 3.05Å
905T91.8Very high81.5Confident0 Ų040.4 Ų40.40%021%0.205CC..Hα-helixtrans-72-33.2175.550.70000112.8C833 I891 I901 W902 L903 A908 S909 C924 H927C833-T905 HydrophobicContact CB-CG2 3.97Å; I891-T905 HydrophobicContact CD1-CG2 4.13Å; I891-T905 HydrophobicContact CG1-CG2 4.25Å; I901-T905 HydrophobicContact CG1-CG2 4.29Å; I901-T905 WeakPolarHBondContact O-CG2 3.48Å; I901-T905 PolarHBondContact O-N 3.19Å; I901-T905 PolarHBondContact O-OG1 3.3Å; W902-T905 WeakPolarHBondContact CA-OG1 3.39Å; W902-T905 PolarHBondContact O-OG1 3.32Å; L903-T905 VanDerWaalsContact C-N 3.29Å; L903-T905 PolarHBondContact O-N 3.5Å; T905-A908 PolarHBondContact O-N 2.84Å; T905-S909 PolarHBondContact O-N 2.71Å; T905-C924 WeakPolarHBondContact O-CB 3.5Å; T905-H927 HydrophobicContact CG2-CB 4.42Å; T905-H927 PolarHBondContact OG1-ND1 3.29Å
906L91.8Very high82.8Confident0 Ų032.7 Ų32.70%018%0.175CC..Hα-helixtrans-60.4-46.8169.1-178.260.9000111.7W804 T807 W902 L903 S909 L910 L925 V939W804-L906 HydrophobicContact CH2-CD1 4.35Å; W804-L906 HydrophobicContact CH2-CG 4.06Å; W804-L906 HydrophobicContact CZ3-CD1 4.39Å; T807-L906 HydrophobicContact CG2-CD2 3.78Å; W902-L906 HydrophobicContact CE3-CD2 4.45Å; W902-L906 HydrophobicContact CZ3-CD2 3.94Å; W902-L906 VanDerWaalsContact O-CB 3.29Å; W902-L906 WeakPolarHBondContact O-CB 3.33Å; W902-L906 PolarHBondContact O-N 3.44Å; L903-L906 HydrophobicContact CD1-CD2 4.38Å; L903-L906 WeakPolarHBondContact O-CB 3.27Å; L903-L906 PolarHBondContact O-N 2.84Å; L906-S909 WeakPolarHBondContact O-CB 3.15Å; L906-S909 PolarHBondContact O-N 3.4Å; L906-S909 PolarHBondContact O-OG 2.89Å; L906-L910 PolarHBondContact O-N 3.01Å; L906-L925 HydrophobicContact CD1-CD2 3.9Å; L906-V939 HydrophobicContact CD2-CB 4.34Å; L906-V939 HydrophobicContact CD2-CG1 3.81Å
907I89.9Confident84.5Confident4 Ų427.9 Ų27.92%0.02115%0.149CC..Hα-helixtrans-72.1-32.9179.6-57.1154.4000111.2L814 I818 L869 L872 L887 L903 Q904 S909 L910 Y911L814-I907 HydrophobicContact CD2-CD1 3.39Å; L814-I907 HydrophobicContact CD2-CG1 4.2Å; L814-I907 HydrophobicContact CG-CD1 3.86Å; I818-I907 HydrophobicContact CD1-CD1 3.69Å; L869-I907 HydrophobicContact CD1-CG2 3.86Å; L872-I907 HydrophobicContact CD1-CG2 4.32Å; L887-I907 HydrophobicContact CD1-CG2 3.92Å; L887-I907 HydrophobicContact CD2-CB 3.93Å; L887-I907 HydrophobicContact CD2-CG2 3.78Å; L887-I907 HydrophobicContact CG-CG2 4.48Å; L903-I907 HydrophobicContact CD1-CD1 4.12Å; L903-I907 HydrophobicContact CD1-CG1 4.46Å; L903-I907 HydrophobicContact CG-CD1 3.96Å; L903-I907 WeakPolarHBondContact O-CD1 3.3Å; L903-I907 VanDerWaalsContact O-CG1 3.27Å; L903-I907 WeakPolarHBondContact O-CG1 3.41Å; L903-I907 PolarHBondContact O-N 3.31Å; Q904-I907 PolarHBondContact O-N 2.97Å; I907-S909 VanDerWaalsContact C-N 3.27Å; I907-S909 PolarHBondContact O-N 3.48Å; I907-L910 VanDerWaalsContact O-CB 3.28Å; I907-L910 WeakPolarHBondContact O-CB 3.32Å; I907-L910 PolarHBondContact O-N 3.26Å; I907-L910 VanDerWaalsContact O-N 3.07Å; I907-Y911 PolarHBondContact O-N 2.93Å; I907-Y911 VanDerWaalsContact O-N 3.15Å
908A92.3Very high86.1Confident0 Ų024.9 Ų24.90%013%0.128CC..Hα-helixtrans-61.1-35.2169.900000112.1P831 I891 Q904 T905 L910 Y911 W912P831-A908 HydrophobicContact CB-CB 3.84Å; P831-A908 HydrophobicContact CG-CB 4.12Å; I891-A908 HydrophobicContact CD1-CB 4.02Å; Q904-A908 WeakPolarHBondContact O-CB 3.43Å; Q904-A908 PolarHBondContact O-N 3.05Å; T905-A908 PolarHBondContact O-N 2.84Å; A908-L910 VanDerWaalsContact C-N 3.29Å; A908-L910 PolarHBondContact O-N 2.9Å; A908-Y911 WeakPolarHBondContact O-CB 3.42Å; A908-Y911 PolarHBondContact O-N 3.5Å; A908-W912 PolarHBondContact O-N 2.88Å
909S93.3Very high87.7Confident0 Ų023.9 Ų23.90%011%0.114CC..Hα-helixtrans-63.3-34.5172.182.30000112.9T905 L906 I907 W912 R913 A921 L925T905-S909 PolarHBondContact O-N 2.71Å; L906-S909 WeakPolarHBondContact O-CB 3.15Å; L906-S909 PolarHBondContact O-N 3.4Å; L906-S909 PolarHBondContact O-OG 2.89Å; I907-S909 VanDerWaalsContact C-N 3.27Å; I907-S909 PolarHBondContact O-N 3.48Å; S909-W912 PolarHBondContact O-N 3.39Å; S909-R913 WeakPolarHBondContact O-CB 3.34Å; S909-R913 VanDerWaalsContact O-CG 3.28Å; S909-R913 WeakPolarHBondContact O-CG 3.32Å; S909-R913 PolarHBondContact O-N 2.95Å; S909-A921 WeakPolarHBondContact CB-O 3.27Å; S909-L925 WeakPolarHBondContact OG-CD2 3.35Å
910L90.5Very high89.2Confident0 Ų014.6 Ų14.60%08%0.081CC..Hα-helixtrans-64.1-41.7174.8-173.663.5000111.3W804 L865 A868 L869 L872 L906 I907 A908 R913 I914W804-L910 HydrophobicContact CD2-CD1 3.88Å; W804-L910 HydrophobicContact CD2-CD2 4.25Å; W804-L910 HydrophobicContact CE3-CD1 3.78Å; W804-L910 HydrophobicContact CG-CD1 4.32Å; W804-L910 HydrophobicContact CH2-CB 4.15Å; W804-L910 HydrophobicContact CH2-CD2 4.2Å; W804-L910 HydrophobicContact CZ2-CD2 3.86Å; W804-L910 HydrophobicContact CZ3-CB 4.19Å; W804-L910 HydrophobicContact CZ3-CD1 4.13Å; L865-L910 HydrophobicContact CB-CD1 3.85Å; L865-L910 HydrophobicContact CD1-CD1 3.62Å; L865-L910 HydrophobicContact CD2-CD1 4.19Å; L865-L910 HydrophobicContact CG-CD1 4.08Å; A868-L910 HydrophobicContact CB-CD2 4.47Å; L869-L910 HydrophobicContact CB-CD2 4.06Å; L869-L910 HydrophobicContact CB-CG 4.49Å; L869-L910 HydrophobicContact CD1-CD2 4.1Å; L872-L910 HydrophobicContact CD1-CD2 4.04Å; L906-L910 PolarHBondContact O-N 3.01Å; I907-L910 VanDerWaalsContact O-CB 3.28Å; I907-L910 WeakPolarHBondContact O-CB 3.32Å; I907-L910 PolarHBondContact O-N 3.26Å; I907-L910 VanDerWaalsContact O-N 3.07Å; A908-L910 VanDerWaalsContact C-N 3.29Å; A908-L910 PolarHBondContact O-N 2.9Å; L910-R913 PolarHBondContact O-N 3.5Å; L910-I914 HydrophobicContact CG-CD1 4.29Å; L910-I914 WeakPolarHBondContact O-CD1 3.49Å; L910-I914 WeakPolarHBondContact O-CG1 3.22Å; L910-I914 PolarHBondContact O-N 2.77Å
911Y92Very high90.3Very high7 Ų713.2 Ų13.23%0.0277%0.072CC..Hα-helixtrans-58.3-47.6172.3173.3-85.6000111.7P831 L869 V880 I907 A908 R913 I914 N915P831-Y911 VanDerWaalsContact CD-CE1 3.48Å; P831-Y911 HydrophobicContact CG-CD1 3.51Å; P831-Y911 HydrophobicContact CG-CE1 3.96Å; P831-Y911 HydrophobicContact CG-CG 3.86Å; L869-Y911 HydrophobicContact CD2-CD2 4.45Å; V880-Y911 HydrophobicContact CG1-CD2 3.84Å; V880-Y911 HydrophobicContact CG1-CE2 3.76Å; V880-Y911 WeakPolarHBondContact O-CE2 3.11Å; I907-Y911 PolarHBondContact O-N 2.93Å; I907-Y911 VanDerWaalsContact O-N 3.15Å; A908-Y911 WeakPolarHBondContact O-CB 3.42Å; A908-Y911 PolarHBondContact O-N 3.5Å; Y911-R913 PolarHBondContact O-N 3.26Å; Y911-I914 PolarHBondContact O-N 3.14Å; Y911-N915 WeakPolarHBondContact CE1-ND2 3.38Å; Y911-N915 VanDerWaalsContact CZ-ND2 3.27Å; Y911-N915 PolarHBondContact O-N 3.06Å; Y911-N915 PolarHBondContact OH-ND2 3.5Å
912W92.6Very high90.6Very high12 Ų1212.5 Ų12.55%0.0457%0.068CC..Hα-helixtrans-68.1-32.5179.2-68.8117.9000113.7E830 P831 A908 S909 N915 G916 N917 M920 A921E830-W912 HydrophobicContact CB-CH2 3.86Å; E830-W912 HydrophobicContact CB-CZ2 3.98Å; E830-W912 HydrophobicContact CG-CH2 4.44Å; E830-W912 WeakPolarHBondContact OE2-CH2 3.36Å; P831-W912 PolarHBondContact O-NE1 3.23Å; A908-W912 PolarHBondContact O-N 2.88Å; S909-W912 PolarHBondContact O-N 3.39Å; W912-N915 CarbonylContact O-C 3.59Å; W912-N915 PolarHBondContact O-N 3.44Å; W912-G916 PolarHBondContact O-N 3.37Å; W912-N917 HydrophobicContact CE3-CB 3.7Å; W912-N917 HydrophobicContact CZ3-CB 4.28Å; W912-N917 PolarHBondContact O-N 3.08Å; W912-M920 HydrophobicContact CB-CB 4.11Å; W912-M920 HydrophobicContact CD2-CB 3.43Å; W912-M920 VanDerWaalsContact CD2-CB 3.43Å; W912-M920 HydrophobicContact CD2-CG 4.14Å; W912-M920 HydrophobicContact CE3-CB 3.91Å; W912-M920 HydrophobicContact CE3-CG 4.27Å; W912-M920 HydrophobicContact CG-CB 3.52Å; W912-M920 HydrophobicContact CH2-CE 4.33Å; W912-M920 HydrophobicContact CH2-CG 4.37Å; W912-M920 HydrophobicContact CZ2-CB 4.31Å; W912-M920 HydrophobicContact CZ2-CE 3.61Å; W912-M920 HydrophobicContact CZ2-CG 4.28Å; W912-M920 HydrophobicContact CZ3-CB 4.49Å; W912-M920 HydrophobicContact CZ3-CG 4.38Å; W912-A921 HydrophobicContact CB-CB 3.88Å
913R91.2Very high90.8Very high0 Ų012.3 Ų12.30%07%0.068CC..Hα-helixtrans-65.1-39.4171.1-74.1174.964-165.5-5.3112.9V803 L859 E862 L865 S909 L910 Y911 N915 G916 A921 N946 V947V803-R913 PolarHBondContact O-NH1 3.24Å; V803-R913 VanDerWaalsContact O-NH1 3.17Å; V803-R913 PolarHBondContact O-NH2 3.44Å; L859-R913 HydrophobicContact CD2-CB 4.41Å; L859-R913 HydrophobicContact CD2-CG 4.34Å; E862-R913 VanDerWaalsContact CD-NH2 3.32Å; E862-R913 PolarHBondContact N-O 2.85Å; E862-R913 VanDerWaalsContact N-O 3.08Å; E862-R913 IonicContact OE1-CZ 3.37Å; E862-R913 VanDerWaalsContact OE1-CZ 3.29Å; E862-R913 IonicContact OE1-NE 3.69Å; E862-R913 PolarHBondContact OE1-NE 3.33Å; E862-R913 IonicContact OE1-NH2 2.87Å; E862-R913 PolarHBondContact OE1-NH2 3.34Å; E862-R913 IonicContact OE2-CZ 3.04Å; E862-R913 IonicContact OE2-NH2 3.83Å; E862-R913 PolarHBondContact OE2-NH2 3.11Å; L865-R913 HydrophobicContact CD1-CB 4.05Å; L865-R913 VanDerWaalsContact CD1-CZ 3.49Å; L865-R913 VanDerWaalsContact CD1-NH2 3.31Å; S909-R913 WeakPolarHBondContact O-CB 3.34Å; S909-R913 VanDerWaalsContact O-CG 3.28Å; S909-R913 WeakPolarHBondContact O-CG 3.32Å; S909-R913 PolarHBondContact O-N 2.95Å; L910-R913 PolarHBondContact O-N 3.5Å; Y911-R913 PolarHBondContact O-N 3.26Å; R913-N915 VanDerWaalsContact C-N 3.35Å; R913-G916 PolarHBondContact O-N 3.32Å; R913-A921 HydrophobicContact CG-CB 3.95Å; R913-N946 PolarHBondContact NH2-ND2 3.04Å; R913-V947 HydrophobicContact CG-CG2 3.9Å
914I89.7Confident91.1Very high17 Ų1712.3 Ų12.39%0.0877%0.068CC..Hα-helixtrans-64.2-41.5173.4-69.6159.7000110.5P861 L865 L869 L910 Y911 G916P861-I914 WeakPolarHBondContact CB-O 3.28Å; L865-I914 HydrophobicContact CB-CD1 4.08Å; L865-I914 HydrophobicContact CB-CG1 3.65Å; L869-I914 HydrophobicContact CB-CD1 3.63Å; L869-I914 HydrophobicContact CD2-CD1 3.66Å; L869-I914 HydrophobicContact CG-CD1 4.25Å; L910-I914 HydrophobicContact CG-CD1 4.29Å; L910-I914 WeakPolarHBondContact O-CD1 3.49Å; L910-I914 WeakPolarHBondContact O-CG1 3.22Å; L910-I914 PolarHBondContact O-N 2.77Å; Y911-I914 PolarHBondContact O-N 3.14Å; I914-G916 VanDerWaalsContact C-N 3.33Å
915N89.1Confident91.4Very high70 Ų7012 Ų1237%0.3747%0.066SC..Hα-helixtrans-76.6-14.9178-72.82.2000114.3Y911 W912 R913Y911-N915 WeakPolarHBondContact CE1-ND2 3.38Å; Y911-N915 VanDerWaalsContact CZ-ND2 3.27Å; Y911-N915 PolarHBondContact O-N 3.06Å; Y911-N915 PolarHBondContact OH-ND2 3.5Å; W912-N915 CarbonylContact O-C 3.59Å; W912-N915 PolarHBondContact O-N 3.44Å; R913-N915 VanDerWaalsContact C-N 3.35Å
916G87.4Confident91.4Very high11 Ų1112.8 Ų12.811%0.1137%0.069CC..THydrogen-bonded Turntrans84.813.1-179.100000116.2L859 W912 R913 I914 T918L859-G916 PolarHBondContact N-O 2.86Å; L859-G916 WeakPolarHBondContact O-CA 3.33Å; W912-G916 PolarHBondContact O-N 3.37Å; R913-G916 PolarHBondContact O-N 3.32Å; I914-G916 VanDerWaalsContact C-N 3.33Å; G916-T918 PolarHBondContact O-N 3.24Å
917N90.4Very high91.4Very high63 Ų6313 Ų1334%0.3377%0.07SC..BIsolated β-bridgetrans-89.597.3179.7-169.5-35.3000111.4W912 S919 M920 A921W912-N917 HydrophobicContact CE3-CB 3.7Å; W912-N917 HydrophobicContact CZ3-CB 4.28Å; W912-N917 PolarHBondContact O-N 3.08Å; N917-S919 PolarHBondContact OD1-N 3.25Å; N917-M920 HydrophobicContact CB-CB 4.25Å; N917-M920 HydrophobicContact CB-CG 4.47Å; N917-M920 WeakPolarHBondContact ND2-CG 3.23Å; N917-M920 WeakPolarHBondContact OD1-CG 3.46Å; N917-M920 PolarHBondContact OD1-N 2.83Å; N917-M920 VanDerWaalsContact OD1-N 3.1Å; N917-A921 WeakPolarHBondContact O-CB 3.33Å; N917-A921 PolarHBondContact O-N 3.09Å
918T87.9Confident91.5Very high5 Ų512.9 Ų12.93%0.0317%0.07CC..Hα-helixtrans-56-51.3-179.8-59.50000113.3T857 L859 G916 M920 A921 I922 N951 W953T857-T918 PolarHBondContact O-OG1 3.44Å; L859-T918 VanDerWaalsContact CB-OG1 3.27Å; L859-T918 WeakPolarHBondContact CB-OG1 3.26Å; G916-T918 PolarHBondContact O-N 3.24Å; T918-M920 PolarHBondContact O-N 3.42Å; T918-A921 PolarHBondContact O-N 2.92Å; T918-I922 HydrophobicContact CG2-CD1 3.59Å; T918-I922 WeakPolarHBondContact O-CB 3.33Å; T918-I922 VanDerWaalsContact O-CG1 3.31Å; T918-I922 WeakPolarHBondContact O-CG1 3.5Å; T918-I922 PolarHBondContact O-N 3.5Å; T918-N951 WeakPolarHBondContact CG2-ND2 3.36Å; T918-N951 PolarHBondContact OG1-OD1 3.15Å; T918-W953 HydrophobicContact CG2-CH2 3.96Å; T918-W953 HydrophobicContact CG2-CZ3 3.84Å
919S90.4Very high91.4Very high20 Ų2012.9 Ų12.914%0.147%0.07CC..Hα-helixtrans-62.5-48-174.9-173.20000111.3N854 N917 A921 I922 D923N854-S919 PolarHBondContact OD1-OG 3.09Å; N917-S919 PolarHBondContact OD1-N 3.25Å; S919-A921 PolarHBondContact O-N 3.31Å; S919-I922 PolarHBondContact O-N 3.23Å; S919-D923 PolarHBondContact O-N 3.21Å
920M91.7Very high91.1Very high35 Ų3513.4 Ų13.417%0.1727%0.074CC..Hα-helixtrans-66.7-37.1179.4-64.5-61.1-67.100112.9V832 W912 N917 T918 C924V832-M920 HydrophobicContact CB-CE 4.23Å; V832-M920 HydrophobicContact CG1-CE 4.15Å; V832-M920 HydrophobicContact CG2-CE 3.95Å; W912-M920 HydrophobicContact CB-CB 4.11Å; W912-M920 HydrophobicContact CD2-CB 3.43Å; W912-M920 VanDerWaalsContact CD2-CB 3.43Å; W912-M920 HydrophobicContact CD2-CG 4.14Å; W912-M920 HydrophobicContact CE3-CB 3.91Å; W912-M920 HydrophobicContact CE3-CG 4.27Å; W912-M920 HydrophobicContact CG-CB 3.52Å; W912-M920 HydrophobicContact CH2-CE 4.33Å; W912-M920 HydrophobicContact CH2-CG 4.37Å; W912-M920 HydrophobicContact CZ2-CB 4.31Å; W912-M920 HydrophobicContact CZ2-CE 3.61Å; W912-M920 HydrophobicContact CZ2-CG 4.28Å; W912-M920 HydrophobicContact CZ3-CB 4.49Å; W912-M920 HydrophobicContact CZ3-CG 4.38Å; N917-M920 HydrophobicContact CB-CB 4.25Å; N917-M920 HydrophobicContact CB-CG 4.47Å; N917-M920 WeakPolarHBondContact ND2-CG 3.23Å; N917-M920 WeakPolarHBondContact OD1-CG 3.46Å; N917-M920 PolarHBondContact OD1-N 2.83Å; N917-M920 VanDerWaalsContact OD1-N 3.1Å; T918-M920 PolarHBondContact O-N 3.42Å; M920-C924 VanDerWaalsContact O-CB 3.3Å; M920-C924 WeakPolarHBondContact O-CB 3.21Å; M920-C924 PolarHBondContact O-N 3.08Å; M920-C924 PolarHBondContact O-SG 3.42Å; M920-C924 VanDerWaalsContact O-SG 3.35Å
921A93.2Very high90.9Very high0 Ų018.4 Ų18.40%09%0.094CC..Hα-helixtrans-61.6-44.5173.100000111.4S909 W912 R913 N917 T918 S919 L925S909-A921 WeakPolarHBondContact CB-O 3.27Å; W912-A921 HydrophobicContact CB-CB 3.88Å; R913-A921 HydrophobicContact CG-CB 3.95Å; N917-A921 WeakPolarHBondContact O-CB 3.33Å; N917-A921 PolarHBondContact O-N 3.09Å; T918-A921 PolarHBondContact O-N 2.92Å; S919-A921 PolarHBondContact O-N 3.31Å; A921-L925 WeakPolarHBondContact O-CB 3.42Å; A921-L925 VanDerWaalsContact O-CG 3.27Å; A921-L925 WeakPolarHBondContact O-CG 3.34Å; A921-L925 PolarHBondContact O-N 2.87Å
922I93.3Very high90.6Very high1 Ų118.3 Ų18.31%0.0059%0.094CC..Hα-helixtrans-66.6-45.5178.6-71165.2000111.4Y850 R853 T918 S919 C924 L925 R926 L944 V947 Y948 W953Y850-I922 HydrophobicContact CD2-CG2 3.65Å; Y850-I922 HydrophobicContact CE2-CG2 4.35Å; R853-I922 HydrophobicContact CB-CD1 3.7Å; R853-I922 HydrophobicContact CB-CG2 4.4Å; T918-I922 HydrophobicContact CG2-CD1 3.59Å; T918-I922 WeakPolarHBondContact O-CB 3.33Å; T918-I922 VanDerWaalsContact O-CG1 3.31Å; T918-I922 WeakPolarHBondContact O-CG1 3.5Å; T918-I922 PolarHBondContact O-N 3.5Å; S919-I922 PolarHBondContact O-N 3.23Å; I922-C924 VanDerWaalsContact C-N 3.34Å; I922-C924 PolarHBondContact O-N 3.44Å; I922-L925 PolarHBondContact O-N 2.98Å; I922-R926 WeakPolarHBondContact O-CB 3.32Å; I922-R926 PolarHBondContact O-N 3.07Å; I922-L944 HydrophobicContact CG1-CD1 4.03Å; I922-L944 HydrophobicContact CG2-CD1 4.28Å; I922-V947 HydrophobicContact CD1-CG1 4.03Å; I922-V947 HydrophobicContact CG1-CG1 3.76Å; I922-Y948 HydrophobicContact CD1-CD1 4.32Å; I922-Y948 HydrophobicContact CD1-CE1 3.86Å; I922-Y948 HydrophobicContact CG1-CE1 4.16Å; I922-W953 HydrophobicContact CD1-CZ3 4.19Å
923D92.2Very high90.2Very high7 Ų721.3 Ų21.34%0.03712%0.115CC..Hα-helixtrans-63.5-39178.8-80-41.5000111.9I835 R853 S919 R926 H927I835-D923 HydrophobicContact CD1-CB 4.25Å; I835-D923 HydrophobicContact CG1-CB 4.21Å; R853-D923 IonicContact CZ-OD1 2.94Å; R853-D923 VanDerWaalsContact CZ-OD1 3.28Å; R853-D923 IonicContact CZ-OD2 2.69Å; R853-D923 VanDerWaalsContact NE-CG 3.3Å; R853-D923 IonicContact NE-OD1 3.83Å; R853-D923 PolarHBondContact NE-OD1 3.31Å; R853-D923 IonicContact NE-OD2 3.78Å; R853-D923 PolarHBondContact NE-OD2 2.89Å; R853-D923 IonicContact NH2-OD1 2.71Å; R853-D923 PolarHBondContact NH2-OD1 2.95Å; R853-D923 IonicContact NH2-OD2 2.72Å; R853-D923 PolarHBondContact NH2-OD2 3.4Å; S919-D923 PolarHBondContact O-N 3.21Å; D923-R926 PolarHBondContact O-N 2.81Å; D923-H927 PolarHBondContact O-N 2.74Å; D923-H927 VanDerWaalsContact O-N 3.08Å
924C94Very high89.6Confident0 Ų023.1 Ų23.10%013%0.126CC..Hα-helixtrans-65.1-42.3171.9-76.10000113.2C833 T905 M920 I922 H927 S928C833-C924 HydrophobicContact CB-CB 3.88Å; C833-C924 WeakPolarHBondContact CB-SG 3.44Å; C833-C924 WeakPolarHBondContact SG-CA 3.31Å; C833-C924 WeakPolarHBondContact SG-CB 3.31Å; C833-C924 CovalentContact SG-SG 2.03Å; C833-C924 PolarHBondContact SG-SG 3.27Å; T905-C924 WeakPolarHBondContact O-CB 3.5Å; M920-C924 VanDerWaalsContact O-CB 3.3Å; M920-C924 WeakPolarHBondContact O-CB 3.21Å; M920-C924 PolarHBondContact O-N 3.08Å; M920-C924 PolarHBondContact O-SG 3.42Å; M920-C924 VanDerWaalsContact O-SG 3.35Å; I922-C924 VanDerWaalsContact C-N 3.34Å; I922-C924 PolarHBondContact O-N 3.44Å; C924-H927 PolarHBondContact O-N 2.95Å; C924-S928 WeakPolarHBondContact O-CB 3.39Å; C924-S928 PolarHBondContact O-N 3.27Å
925L94.3Very high89Confident0 Ų024.9 Ų24.90%015%0.149CC..Hα-helixtrans-64.7-40.9174.6-75.6165.6000111.9L906 S909 A921 I922 H927 S928 I929 L944 V947L906-L925 HydrophobicContact CD1-CD2 3.9Å; S909-L925 WeakPolarHBondContact OG-CD2 3.35Å; A921-L925 WeakPolarHBondContact O-CB 3.42Å; A921-L925 VanDerWaalsContact O-CG 3.27Å; A921-L925 WeakPolarHBondContact O-CG 3.34Å; A921-L925 PolarHBondContact O-N 2.87Å; I922-L925 PolarHBondContact O-N 2.98Å; L925-H927 VanDerWaalsContact C-N 3.34Å; L925-H927 PolarHBondContact O-N 3.24Å; L925-S928 WeakPolarHBondContact O-CB 3.3Å; L925-S928 PolarHBondContact O-N 3.01Å; L925-I929 HydrophobicContact CB-CD1 4.44Å; L925-I929 WeakPolarHBondContact O-CB 3.49Å; L925-I929 WeakPolarHBondContact O-CD1 3.29Å; L925-I929 WeakPolarHBondContact O-CG1 3.28Å; L925-I929 PolarHBondContact O-N 2.81Å; L925-L944 HydrophobicContact CB-CD1 4.31Å; L925-L944 HydrophobicContact CD1-CB 4.07Å; L925-L944 HydrophobicContact CD1-CD1 4.1Å; L925-V947 HydrophobicContact CD1-CG2 4.14Å
926R92.6Very high88.9Confident16 Ų1622.6 Ų22.66%0.0614%0.137CC..Hα-helixtrans-57.7-47.3176.2-168.1-172.7161.9-112.5-0110.9I835 F837 T843 D845 Y850 I922 D923 I929 A930I835-R926 PolarHBondContact O-NH1 2.74Å; F837-R926 HydrophobicContact CZ-CB 4.42Å; F837-R926 HydrophobicContact CZ-CG 3.93Å; F837-R926 PolarHBondContact O-NH2 3.1Å; T843-R926 HydrophobicContact CG2-CG 4.06Å; D845-R926 VanDerWaalsContact CG-NE 3.28Å; D845-R926 WeakPolarHBondContact OD1-CD 3.27Å; D845-R926 IonicContact OD1-CZ 3.38Å; D845-R926 IonicContact OD1-NE 3.93Å; D845-R926 PolarHBondContact OD1-NE 2.89Å; D845-R926 IonicContact OD1-NH2 3.07Å; D845-R926 IonicContact OD2-CZ 2.69Å; D845-R926 IonicContact OD2-NE 2.75Å; D845-R926 PolarHBondContact OD2-NE 3.13Å; D845-R926 VanDerWaalsContact OD2-NE 3.08Å; D845-R926 IonicContact OD2-NH2 2.63Å; D845-R926 PolarHBondContact OD2-NH2 2.79Å; Y850-R926 HydrophobicContact CE2-CG 4.42Å; Y850-R926 VanDerWaalsContact CZ-CD 3.47Å; Y850-R926 PolarHBondContact OH-NE 2.71Å; I922-R926 WeakPolarHBondContact O-CB 3.32Å; I922-R926 PolarHBondContact O-N 3.07Å; D923-R926 PolarHBondContact O-N 2.81Å; R926-I929 PolarHBondContact O-N 2.69Å; R926-A930 WeakPolarHBondContact O-CB 3.42Å; R926-A930 PolarHBondContact O-N 2.86Å
927H91.3Very high89Confident6 Ų622.6 Ų22.63%0.02813%0.134CC..Hα-helixtrans-64-45.9176.1-169.5-78.1000111.9P834 F837 T905 D923 C924 L925 I929 A930 Y931P834-H927 PolarHBondContact O-CD2 3.4Å; P834-H927 VanDerWaalsContact O-CD2 3.22Å; F837-H927 AromaticContact CD1-CD2 3.59Å; F837-H927 HydrophobicContact CE1-CB 3.83Å; F837-H927 AromaticContact CE1-CD2 3.55Å; F837-H927 HydrophobicContact CZ-CB 4.1Å; T905-H927 HydrophobicContact CG2-CB 4.42Å; T905-H927 PolarHBondContact OG1-ND1 3.29Å; D923-H927 PolarHBondContact O-N 2.74Å; D923-H927 VanDerWaalsContact O-N 3.08Å; C924-H927 PolarHBondContact O-N 2.95Å; L925-H927 VanDerWaalsContact C-N 3.34Å; L925-H927 PolarHBondContact O-N 3.24Å; H927-I929 PolarHBondContact O-N 2.98Å; H927-A930 PolarHBondContact O-N 3.14Å; H927-Y931 AromaticContact CD2-CE2 3.88Å; H927-Y931 AromaticContact CE1-CD2 3.5Å; H927-Y931 AromaticContact CE1-CE2 3.74Å; H927-Y931 AromaticContact ND1-CD2 3.84Å; H927-Y931 AromaticContact NE2-CD2 3.73Å; H927-Y931 AromaticContact NE2-CE2 3.46Å; H927-Y931 WeakPolarHBondContact NE2-CE2 3.3Å; H927-Y931 WeakPolarHBondContact O-CD2 3.41Å; H927-Y931 PolarHBondContact O-N 3.13Å
928S91.5Very high88.9Confident1 Ų119.6 Ų19.61%0.00712%0.118CC..Hα-helixtrans-55.7-52.5174.3167.40000111.7W902 C924 L925 A930 Y931 A932W902-S928 WeakPolarHBondContact O-CB 3.49Å; W902-S928 PolarHBondContact O-OG 3.15Å; C924-S928 WeakPolarHBondContact O-CB 3.39Å; C924-S928 PolarHBondContact O-N 3.27Å; L925-S928 WeakPolarHBondContact O-CB 3.3Å; L925-S928 PolarHBondContact O-N 3.01Å; S928-A930 VanDerWaalsContact C-N 3.29Å; S928-A930 PolarHBondContact O-N 3.19Å; S928-Y931 PolarHBondContact O-N 2.72Å; S928-A932 WeakPolarHBondContact O-CB 3.36Å; S928-A932 PolarHBondContact O-N 3.24Å
929I91.4Very high89Confident0 Ų019.4 Ų19.40%012%0.117CC..Hα-helixtrans-64.6-33.5-177.1-65159.9000111.4W842 L925 R926 H927 K937 L941 L944W842-I929 HydrophobicContact CB-CG2 3.82Å; W842-I929 WeakPolarHBondContact O-CG2 3.26Å; L925-I929 HydrophobicContact CB-CD1 4.44Å; L925-I929 WeakPolarHBondContact O-CB 3.49Å; L925-I929 WeakPolarHBondContact O-CD1 3.29Å; L925-I929 WeakPolarHBondContact O-CG1 3.28Å; L925-I929 PolarHBondContact O-N 2.81Å; R926-I929 PolarHBondContact O-N 2.69Å; H927-I929 PolarHBondContact O-N 2.98Å; I929-K937 PolarHBondContact O-NZ 3.11Å; I929-L941 HydrophobicContact CD1-CD2 4.15Å; I929-L941 HydrophobicContact CD1-CG 4.41Å; I929-L941 HydrophobicContact CG2-CD2 4.18Å; I929-L941 HydrophobicContact CG2-CG 4.38Å; I929-L944 HydrophobicContact CD1-CB 4.2Å; I929-L944 HydrophobicContact CD1-CD2 3.8Å
930A87Confident89.1Confident10 Ų1018.5 Ų18.58%0.08311%0.11CC..Hα-helixtrans-59.8-51.8176.200000111.8F837 N840 T843 R926 H927 S928 K937F837-A930 HydrophobicContact CD2-CB 4.1Å; F837-A930 HydrophobicContact CE2-CB 3.49Å; F837-A930 VanDerWaalsContact CE2-CB 3.49Å; F837-A930 HydrophobicContact CZ-CB 4.19Å; N840-A930 PolarHBondContact ND2-O 2.03Å; T843-A930 HydrophobicContact CG2-CB 3.75Å; R926-A930 WeakPolarHBondContact O-CB 3.42Å; R926-A930 PolarHBondContact O-N 2.86Å; H927-A930 PolarHBondContact O-N 3.14Å; S928-A930 VanDerWaalsContact C-N 3.29Å; S928-A930 PolarHBondContact O-N 3.19Å; A930-K937 PolarHBondContact O-NZ 2.92Å; A930-K937 VanDerWaalsContact O-NZ 3.11Å
931Y86.2Confident89.2Confident106 Ų10616.8 Ų16.842%0.41610%0.102SC..Hα-helixtrans-96.5-16-170.2-65.4-76.6000115.4F837 H927 S928F837-Y931 HydrophobicContact CB-CE2 4.48Å; F837-Y931 HydrophobicContact CD2-CE2 4.17Å; F837-Y931 HydrophobicContact CG-CE2 4.17Å; H927-Y931 AromaticContact CD2-CE2 3.88Å; H927-Y931 AromaticContact CE1-CD2 3.5Å; H927-Y931 AromaticContact CE1-CE2 3.74Å; H927-Y931 AromaticContact ND1-CD2 3.84Å; H927-Y931 AromaticContact NE2-CD2 3.73Å; H927-Y931 AromaticContact NE2-CE2 3.46Å; H927-Y931 WeakPolarHBondContact NE2-CE2 3.3Å; H927-Y931 WeakPolarHBondContact O-CD2 3.41Å; H927-Y931 PolarHBondContact O-N 3.13Å; S928-Y931 PolarHBondContact O-N 2.72Å
932A85.1Confident89.2Confident4 Ų417 Ų173%0.03310%0.103CC..SBendtrans-62.2141.6178.900000112.6W902 S928 V936 K937W902-A932 HydrophobicContact CB-CB 4.06Å; W902-A932 HydrophobicContact CD2-CB 3.7Å; W902-A932 HydrophobicContact CE3-CB 3.63Å; W902-A932 HydrophobicContact CG-CB 3.9Å; W902-A932 HydrophobicContact CZ3-CB 4.35Å; S928-A932 WeakPolarHBondContact O-CB 3.36Å; S928-A932 PolarHBondContact O-N 3.24Å; A932-V936 HydrophobicContact CB-CG2 4.44Å; A932-K937 HydrophobicContact CB-CG 4.09Å; A932-K937 VanDerWaalsContact O-CE 3.29Å; A932-K937 WeakPolarHBondContact O-CE 3.39Å; A932-K937 WeakPolarHBondContact O-CG 3.47Å; A932-K937 PolarHBondContact O-NZ 3.17Å
933P83.8Confident89.2Confident76 Ų7617 Ų1749%0.49410%0.103SC..  trans-57.7143.8170.8-22.732.2000112.2G935 V936 K937P933-G935 VanDerWaalsContact C-N 3.3Å; P933-G935 PolarHBondContact O-N 2.9Å; P933-G935 VanDerWaalsContact O-N 3.13Å; P933-V936 HydrophobicContact CB-CG2 4.12Å; P933-V936 HydrophobicContact CG-CG2 4.23Å; P933-V936 VanDerWaalsContact O-CG2 3.3Å; P933-V936 WeakPolarHBondContact O-CG2 3.38Å; P933-V936 PolarHBondContact O-N 3.04Å; P933-K937 PolarHBondContact O-N 3.06Å; P933-K937 VanDerWaalsContact O-N 3.11Å
934V79.5Confident89.3Confident37 Ų3716.8 Ų16.822%0.22410%0.102CC..G310 helixtrans-52.4-42.4-170.8-179.60000113.4W842 V936 K937 L967W842-V934 HydrophobicContact CH2-CG1 4.1Å; W842-V934 HydrophobicContact CZ2-CG1 4.34Å; V934-V936 PolarHBondContact O-N 2.98Å; V934-V936 VanDerWaalsContact O-N 3.13Å; V934-K937 PolarHBondContact O-N 3.45Å; V934-L967 HydrophobicContact CG1-CD2 3.94Å
935G77.8Confident89.3Confident55 Ų5516.8 Ų16.857%0.56710%0.102SC*.G310 helixtrans-68.6-6.2-179.600000116.2K810 P933K810-G935 PolarHBondContact NZ-O 3.41Å; K810-G935 VanDerWaalsContact NZ-O 3.09Å; P933-G935 VanDerWaalsContact C-N 3.3Å; P933-G935 PolarHBondContact O-N 2.9Å; P933-G935 VanDerWaalsContact O-N 3.13Å
936V86.8Confident89.1Confident21 Ų2116.8 Ų16.813%0.12710%0.102CC..G310 helixtrans-1273.2176-57.60000113.2K810 I812 W902 A932 P933 V934 D938 V939K810-V936 HydrophobicContact CB-CG1 4.34Å; K810-V936 HydrophobicContact CD-CG1 4.32Å; K810-V936 HydrophobicContact CG-CG1 4.36Å; I812-V936 HydrophobicContact CD1-CG1 4.09Å; W902-V936 HydrophobicContact CH2-CB 4.33Å; W902-V936 HydrophobicContact CH2-CG2 3.69Å; W902-V936 HydrophobicContact CZ2-CG2 3.95Å; W902-V936 HydrophobicContact CZ3-CG2 4.14Å; A932-V936 HydrophobicContact CB-CG2 4.44Å; P933-V936 HydrophobicContact CB-CG2 4.12Å; P933-V936 HydrophobicContact CG-CG2 4.23Å; P933-V936 VanDerWaalsContact O-CG2 3.3Å; P933-V936 WeakPolarHBondContact O-CG2 3.38Å; P933-V936 PolarHBondContact O-N 3.04Å; V934-V936 PolarHBondContact O-N 2.98Å; V934-V936 VanDerWaalsContact O-N 3.13Å; V936-D938 VanDerWaalsContact CA-OD1 3.28Å; V936-D938 WeakPolarHBondContact CA-OD1 3.34Å; V936-D938 PolarHBondContact O-N 3.04Å; V936-V939 WeakPolarHBondContact O-CG2 3.34Å; V936-V939 PolarHBondContact O-N 3.13Å
937K88.6Confident89.1Confident11 Ų1116 Ų165%0.04810%0.099CC..Hα-helixtrans-61.2-25.8171.4-75.1-172.6-171-57.50111.9W842 I929 A930 A932 P933 V934 V939 G940 L941 L967W842-K937 HydrophobicContact CB-CD 4.18Å; W842-K937 HydrophobicContact CD2-CD 3.56Å; W842-K937 HydrophobicContact CE3-CD 3.66Å; W842-K937 HydrophobicContact CG-CD 3.79Å; W842-K937 HydrophobicContact CZ3-CD 4.29Å; I929-K937 PolarHBondContact O-NZ 3.11Å; A930-K937 PolarHBondContact O-NZ 2.92Å; A930-K937 VanDerWaalsContact O-NZ 3.11Å; A932-K937 HydrophobicContact CB-CG 4.09Å; A932-K937 VanDerWaalsContact O-CE 3.29Å; A932-K937 WeakPolarHBondContact O-CE 3.39Å; A932-K937 WeakPolarHBondContact O-CG 3.47Å; A932-K937 PolarHBondContact O-NZ 3.17Å; P933-K937 PolarHBondContact O-N 3.06Å; P933-K937 VanDerWaalsContact O-N 3.11Å; V934-K937 PolarHBondContact O-N 3.45Å; K937-V939 PolarHBondContact O-N 3.14Å; K937-G940 PolarHBondContact O-N 3.2Å; K937-L941 HydrophobicContact CB-CD1 4.41Å; K937-L941 WeakPolarHBondContact O-CG 3.42Å; K937-L941 PolarHBondContact O-N 3.18Å; K937-L967 HydrophobicContact CB-CD1 3.88Å
938D88.6Confident89Confident0 Ų015.8 Ų15.80%010%0.098CC..Hα-helixtrans-60.1-30.817667.1-48.3000113K810 V936 L941 I942 A964 L967 S968 I974K810-D938 WeakPolarHBondContact CE-OD1 3.33Å; K810-D938 WeakPolarHBondContact CE-OD2 3.46Å; K810-D938 IonicContact NZ-OD1 3.62Å; K810-D938 PolarHBondContact NZ-OD1 3.03Å; K810-D938 IonicContact NZ-OD2 3.19Å; K810-D938 PolarHBondContact NZ-OD2 3.38Å; V936-D938 VanDerWaalsContact CA-OD1 3.28Å; V936-D938 WeakPolarHBondContact CA-OD1 3.34Å; V936-D938 PolarHBondContact O-N 3.04Å; D938-L941 PolarHBondContact O-N 3.44Å; D938-I942 WeakPolarHBondContact O-CB 3.38Å; D938-I942 VanDerWaalsContact O-CG2 3.31Å; D938-I942 WeakPolarHBondContact O-CG2 3.12Å; D938-I942 PolarHBondContact O-N 2.83Å; D938-A964 HydrophobicContact CB-CB 4.47Å; D938-L967 HydrophobicContact CB-CB 4.08Å; D938-L967 HydrophobicContact CB-CD1 4.15Å; D938-S968 WeakPolarHBondContact OD2-CB 3.39Å; D938-S968 PolarHBondContact OD2-OG 3.09Å; D938-I974 HydrophobicContact CB-CD1 4.47Å
939V90.3Very high88.9Confident1 Ų116.2 Ų16.21%0.00610%0.1CC..Hα-helixtrans-65.7-41.7175.9-168.10000111.7L805 T807 K810 L906 V936 K937 S943L805-V939 HydrophobicContact CB-CG1 4.32Å; L805-V939 HydrophobicContact CD2-CB 4.28Å; L805-V939 HydrophobicContact CD2-CG1 4.21Å; L805-V939 HydrophobicContact CD2-CG2 3.9Å; L805-V939 HydrophobicContact CG-CG1 4.2Å; L805-V939 HydrophobicContact CG-CG2 4.46Å; T807-V939 HydrophobicContact CG2-CG1 4.24Å; K810-V939 HydrophobicContact CG-CG2 3.92Å; L906-V939 HydrophobicContact CD2-CB 4.34Å; L906-V939 HydrophobicContact CD2-CG1 3.81Å; V936-V939 WeakPolarHBondContact O-CG2 3.34Å; V936-V939 PolarHBondContact O-N 3.13Å; K937-V939 PolarHBondContact O-N 3.14Å; V939-S943 WeakPolarHBondContact O-CB 3.39Å; V939-S943 PolarHBondContact O-N 2.73Å; V939-S943 PolarHBondContact O-OG 3.1Å
940G92.8Very high88.7Confident1 Ų118.5 Ų18.51%0.0111%0.109CC..Hα-helixtrans-70.2-47173.700000111.9K937 I942 S943 L944K937-G940 PolarHBondContact O-N 3.2Å; G940-I942 PolarHBondContact O-N 2.85Å; G940-S943 PolarHBondContact O-N 3.46Å; G940-L944 WeakPolarHBondContact O-CB 3.45Å; G940-L944 PolarHBondContact O-N 2.92Å
941L93.5Very high88.5Confident0 Ų018.7 Ų18.70%011%0.108CC..Hα-helixtrans-60.7-47.1179.8-70.5164.8000111.8M844 I929 K937 D938 S943 L944 A945 V960 M963 A964 L967M844-L941 HydrophobicContact CE-CD2 3.83Å; I929-L941 HydrophobicContact CD1-CD2 4.15Å; I929-L941 HydrophobicContact CD1-CG 4.41Å; I929-L941 HydrophobicContact CG2-CD2 4.18Å; I929-L941 HydrophobicContact CG2-CG 4.38Å; K937-L941 HydrophobicContact CB-CD1 4.41Å; K937-L941 WeakPolarHBondContact O-CG 3.42Å; K937-L941 PolarHBondContact O-N 3.18Å; D938-L941 PolarHBondContact O-N 3.44Å; L941-S943 VanDerWaalsContact C-N 3.28Å; L941-S943 PolarHBondContact O-N 3.17Å; L941-L944 WeakPolarHBondContact O-CB 3.18Å; L941-L944 PolarHBondContact O-N 3.22Å; L941-L944 VanDerWaalsContact O-N 3.11Å; L941-A945 PolarHBondContact O-N 3.32Å; L941-V960 HydrophobicContact CB-CG1 3.98Å; L941-V960 HydrophobicContact CD2-CG1 3.81Å; L941-V960 WeakPolarHBondContact O-CG1 3.33Å; L941-M963 HydrophobicContact CD1-CB 4.34Å; L941-M963 HydrophobicContact CD1-CG 3.86Å; L941-A964 HydrophobicContact CB-CB 4.07Å; L941-L967 HydrophobicContact CD1-CD1 3.69Å
942I93.4Very high88.4Confident3 Ų314.2 Ų14.22%0.01510%0.095CC..Hα-helixtrans-67.8-31.3-179-156.860.7000112.5L805 D938 G940 A945 N946 A964 I974 V977L805-I942 HydrophobicContact CB-CG2 4.25Å; L805-I942 HydrophobicContact CD2-CG2 4.18Å; D938-I942 WeakPolarHBondContact O-CB 3.38Å; D938-I942 VanDerWaalsContact O-CG2 3.31Å; D938-I942 WeakPolarHBondContact O-CG2 3.12Å; D938-I942 PolarHBondContact O-N 2.83Å; G940-I942 PolarHBondContact O-N 2.85Å; I942-A945 HydrophobicContact CD1-CB 4.42Å; I942-N946 PolarHBondContact O-N 2.61Å; I942-N946 VanDerWaalsContact O-N 3.12Å; I942-A964 HydrophobicContact CB-CB 4.33Å; I942-A964 HydrophobicContact CD1-CB 4.2Å; I942-I974 HydrophobicContact CD1-CB 4.22Å; I942-I974 HydrophobicContact CD1-CG1 4.09Å; I942-I974 HydrophobicContact CD1-CG2 4.03Å; I942-I974 HydrophobicContact CG1-CG1 4.12Å; I942-V977 HydrophobicContact CD1-CB 3.84Å; I942-V977 HydrophobicContact CD1-CG1 3.75Å; I942-V977 HydrophobicContact CD1-CG2 4.24Å; I942-V977 HydrophobicContact CG1-CB 4.32Å; I942-V977 HydrophobicContact CG1-CG1 4.42Å; I942-V977 HydrophobicContact CG1-CG2 4.16Å
943S93.3Very high88.5Confident2 Ų214 Ų141%0.0149%0.093CC..Hα-helixtrans-66.8-39.8171.7-620000111.6V939 G940 L941 V947V939-S943 WeakPolarHBondContact O-CB 3.39Å; V939-S943 PolarHBondContact O-N 2.73Å; V939-S943 PolarHBondContact O-OG 3.1Å; G940-S943 PolarHBondContact O-N 3.46Å; L941-S943 VanDerWaalsContact C-N 3.28Å; L941-S943 PolarHBondContact O-N 3.17Å; S943-V947 WeakPolarHBondContact O-CG2 3.36Å; S943-V947 PolarHBondContact O-N 3Å
944L94.2Very high88.6Confident3 Ų310.6 Ų10.62%0.0167%0.071CC..Hα-helixtrans-68.5-39.4175.3-176.465.4000112.2I922 L925 I929 G940 L941 N946 V947 Y948 V960I922-L944 HydrophobicContact CG1-CD1 4.03Å; I922-L944 HydrophobicContact CG2-CD1 4.28Å; L925-L944 HydrophobicContact CB-CD1 4.31Å; L925-L944 HydrophobicContact CD1-CB 4.07Å; L925-L944 HydrophobicContact CD1-CD1 4.1Å; I929-L944 HydrophobicContact CD1-CB 4.2Å; I929-L944 HydrophobicContact CD1-CD2 3.8Å; G940-L944 WeakPolarHBondContact O-CB 3.45Å; G940-L944 PolarHBondContact O-N 2.92Å; L941-L944 WeakPolarHBondContact O-CB 3.18Å; L941-L944 PolarHBondContact O-N 3.22Å; L941-L944 VanDerWaalsContact O-N 3.11Å; L944-N946 PolarHBondContact O-N 3.47Å; L944-V947 PolarHBondContact O-N 3.19Å; L944-Y948 HydrophobicContact CD1-CD1 4.2Å; L944-Y948 HydrophobicContact CD1-CE1 3.6Å; L944-Y948 HydrophobicContact CD1-CE2 4.2Å; L944-Y948 HydrophobicContact CD2-CE2 4.14Å; L944-Y948 HydrophobicContact CG-CD2 4.3Å; L944-Y948 HydrophobicContact CG-CE1 4.17Å; L944-Y948 HydrophobicContact CG-CE2 3.87Å; L944-Y948 PolarHBondContact O-N 2.93Å; L944-V960 HydrophobicContact CB-CG1 4.1Å; L944-V960 HydrophobicContact CD2-CG1 4.19Å; L944-V960 HydrophobicContact CD2-CG2 4.25Å; L944-V960 HydrophobicContact CG-CG1 4.27Å
945A93.3Very high89Confident0 Ų012.3 Ų12.30%07%0.073CC..Hα-helixtrans-60-44.9174.700000111.8L941 I942 Y948 E949 A957 V960 V977L941-A945 PolarHBondContact O-N 3.32Å; I942-A945 HydrophobicContact CD1-CB 4.42Å; A945-Y948 PolarHBondContact O-N 3.16Å; A945-E949 PolarHBondContact O-N 3.42Å; A945-A957 VanDerWaalsContact O-CB 3.3Å; A945-A957 WeakPolarHBondContact O-CB 3.34Å; A945-V960 HydrophobicContact CB-CB 4.09Å; A945-V960 HydrophobicContact CB-CG1 4.03Å; A945-V977 HydrophobicContact CB-CG1 4.5Å
946N91.2Very high89.5Confident0 Ų09.7 Ų9.70%05%0.046CC..Hα-helixtrans-64.2-43174.2177.210000111.9V803 R913 I942 L944 Y948 E949 R950V803-N946 PolarHBondContact N-ND2 3.25Å; V803-N946 PolarHBondContact O-ND2 3.44Å; R913-N946 PolarHBondContact NH2-ND2 3.04Å; I942-N946 PolarHBondContact O-N 2.61Å; I942-N946 VanDerWaalsContact O-N 3.12Å; L944-N946 PolarHBondContact O-N 3.47Å; N946-Y948 VanDerWaalsContact C-N 3.27Å; N946-Y948 PolarHBondContact O-N 3.08Å; N946-E949 WeakPolarHBondContact O-CB 3.15Å; N946-E949 PolarHBondContact O-N 3.01Å; N946-R950 WeakPolarHBondContact O-CG 3.47Å; N946-R950 PolarHBondContact O-N 3.46Å; N946-R950 VanDerWaalsContact OD1-CD 3.31Å; N946-R950 WeakPolarHBondContact OD1-CD 3.31Å; N946-R950 WeakPolarHBondContact OD1-CG 3.48Å
947V91Very high89.7Confident0 Ų08.7 Ų8.70%04%0.04CC..Hα-helixtrans-59.9-38.1174.1172.80000111.5R913 I922 L925 S943 L944 N951R913-V947 HydrophobicContact CG-CG2 3.9Å; I922-V947 HydrophobicContact CD1-CG1 4.03Å; I922-V947 HydrophobicContact CG1-CG1 3.76Å; L925-V947 HydrophobicContact CD1-CG2 4.14Å; S943-V947 WeakPolarHBondContact O-CG2 3.36Å; S943-V947 PolarHBondContact O-N 3Å; L944-V947 PolarHBondContact O-N 3.19Å; V947-N951 PolarHBondContact O-N 2.93Å; V947-N951 PolarHBondContact O-ND2 3.05Å
948Y90.6Very high89.8Confident1 Ų18.1 Ų8.10%0.0044%0.038CC..Hα-helixtrans-69.7-40.4174.5-69.5-12000113.2L847 G849 Y850 I922 L944 A945 N946 N951 G952 W953 V960L847-Y948 HydrophobicContact CD1-CE2 4.1Å; G849-Y948 VanDerWaalsContact CA-CE1 3.48Å; G849-Y948 WeakPolarHBondContact O-CE1 3.47Å; Y850-Y948 PolarHBondContact N-OH 3.12Å; I922-Y948 HydrophobicContact CD1-CD1 4.32Å; I922-Y948 HydrophobicContact CD1-CE1 3.86Å; I922-Y948 HydrophobicContact CG1-CE1 4.16Å; L944-Y948 HydrophobicContact CD1-CD1 4.2Å; L944-Y948 HydrophobicContact CD1-CE1 3.6Å; L944-Y948 HydrophobicContact CD1-CE2 4.2Å; L944-Y948 HydrophobicContact CD2-CE2 4.14Å; L944-Y948 HydrophobicContact CG-CD2 4.3Å; L944-Y948 HydrophobicContact CG-CE1 4.17Å; L944-Y948 HydrophobicContact CG-CE2 3.87Å; L944-Y948 PolarHBondContact O-N 2.93Å; A945-Y948 PolarHBondContact O-N 3.16Å; N946-Y948 VanDerWaalsContact C-N 3.27Å; N946-Y948 PolarHBondContact O-N 3.08Å; Y948-N951 PolarHBondContact O-N 3.48Å; Y948-G952 PolarHBondContact O-N 3.47Å; Y948-W953 AromaticContact CD1-CE3 3.96Å; Y948-W953 HydrophobicContact CD1-CE3 3.96Å; Y948-W953 PolarHBondContact O-N 2.86Å; Y948-V960 HydrophobicContact CD2-CG2 3.83Å; Y948-V960 HydrophobicContact CE2-CG2 3.63Å
949E88.9Confident89.7Confident9 Ų99.7 Ų9.74%0.0425%0.046CC..Hα-helixtrans-56.4-52.9173.8-176.1-158.5146.300110.5P800 A945 N946 N951 G952 L954 A957 I981P800-E949 WeakPolarHBondContact CA-OE1 3.5Å; P800-E949 HydrophobicContact CB-CG 4.26Å; P800-E949 WeakPolarHBondContact CB-OE1 3.46Å; A945-E949 PolarHBondContact O-N 3.42Å; N946-E949 WeakPolarHBondContact O-CB 3.15Å; N946-E949 PolarHBondContact O-N 3.01Å; E949-N951 PolarHBondContact O-N 3.26Å; E949-G952 PolarHBondContact O-N 2.9Å; E949-L954 HydrophobicContact CG-CD2 4.17Å; E949-A957 HydrophobicContact CB-CB 4.27Å; E949-I981 HydrophobicContact CB-CG1 4.17Å; E949-I981 HydrophobicContact CG-CG1 4.05Å
950R86Confident89.8Confident48 Ų489.7 Ų9.718%0.1815%0.045CC..Hα-helixtrans-62.5-25.6-176.8-69.4-17867.377-3114.2P800 T802 L859 K860 E862 N946P800-R950 HydrophobicContact CB-CG 3.92Å; P800-R950 HydrophobicContact CG-CB 4.26Å; P800-R950 HydrophobicContact CG-CG 3.89Å; P800-R950 PolarHBondContact O-NH1 3.03Å; T802-R950 PolarHBondContact OG1-NH1 3.48Å; L859-R950 HydrophobicContact CD1-CB 3.43Å; L859-R950 VanDerWaalsContact CD1-CB 3.43Å; L859-R950 HydrophobicContact CD1-CG 4.3Å; K860-R950 PolarHBondContact O-NH2 3.48Å; K860-R950 VanDerWaalsContact O-NH2 3.16Å; E862-R950 VanDerWaalsContact CD-NE 3.33Å; E862-R950 IonicContact OE1-NE 2.82Å; E862-R950 WeakPolarHBondContact OE2-CD 3.46Å; E862-R950 IonicContact OE2-CZ 2.67Å; E862-R950 IonicContact OE2-NE 3.88Å; E862-R950 PolarHBondContact OE2-NE 3.07Å; N946-R950 WeakPolarHBondContact O-CG 3.47Å; N946-R950 PolarHBondContact O-N 3.46Å; N946-R950 VanDerWaalsContact OD1-CD 3.31Å; N946-R950 WeakPolarHBondContact OD1-CD 3.31Å; N946-R950 WeakPolarHBondContact OD1-CG 3.48Å
951N83.7Confident89.7Confident14 Ų149.6 Ų9.68%0.0755%0.045CC..THydrogen-bonded Turntrans-93.70.6176.4-74.9-67.5000113.5T857 T918 V947 Y948 E949 W953T857-N951 VanDerWaalsContact CB-OD1 3.27Å; T857-N951 WeakPolarHBondContact CB-OD1 3.02Å; T918-N951 WeakPolarHBondContact CG2-ND2 3.36Å; T918-N951 PolarHBondContact OG1-OD1 3.15Å; V947-N951 PolarHBondContact O-N 2.93Å; V947-N951 PolarHBondContact O-ND2 3.05Å; Y948-N951 PolarHBondContact O-N 3.48Å; E949-N951 PolarHBondContact O-N 3.26Å; N951-W953 VanDerWaalsContact C-N 3.34Å; N951-W953 HydrophobicContact CB-CD2 4.01Å; N951-W953 HydrophobicContact CB-CE3 3.29Å; N951-W953 HydrophobicContact CB-CH2 3.92Å; N951-W953 HydrophobicContact CB-CZ3 3.23Å
952G83.7Confident89.5Confident13 Ų139.8 Ų9.813%0.1345%0.047CC..THydrogen-bonded Turntrans79.97.7178.400000115.2Y948 E949 L954Y948-G952 PolarHBondContact O-N 3.47Å; E949-G952 PolarHBondContact O-N 2.9Å; G952-L954 PolarHBondContact O-N 3.27Å
953W86.7Confident89.3Confident0 Ų010.7 Ų10.70%05%0.051CC..  trans-80.657.2169.7-59.6-64.2000109.9D757 Q852 T857 T918 I922 Y948 N951 R955 S956 A957D757-W953 WeakPolarHBondContact OD2-CA 3.43Å; Q852-W953 HydrophobicContact CB-CZ2 4.19Å; T857-W953 HydrophobicContact CG2-CH2 4.32Å; T857-W953 HydrophobicContact CG2-CZ2 4.32Å; T918-W953 HydrophobicContact CG2-CH2 3.96Å; T918-W953 HydrophobicContact CG2-CZ3 3.84Å; I922-W953 HydrophobicContact CD1-CZ3 4.19Å; Y948-W953 AromaticContact CD1-CE3 3.96Å; Y948-W953 HydrophobicContact CD1-CE3 3.96Å; Y948-W953 PolarHBondContact O-N 2.86Å; N951-W953 VanDerWaalsContact C-N 3.34Å; N951-W953 HydrophobicContact CB-CD2 4.01Å; N951-W953 HydrophobicContact CB-CE3 3.29Å; N951-W953 HydrophobicContact CB-CH2 3.92Å; N951-W953 HydrophobicContact CB-CZ3 3.23Å; W953-R955 VanDerWaalsContact C-N 3.26Å; W953-R955 PolarHBondContact O-N 3.05Å; W953-S956 CarbonylContact O-C 3.3Å; W953-S956 WeakPolarHBondContact O-CA 3.46Å; W953-S956 VanDerWaalsContact O-CB 3.3Å; W953-S956 WeakPolarHBondContact O-CB 3.44Å; W953-S956 PolarHBondContact O-N 3.49Å; W953-S956 VanDerWaalsContact O-N 3.14Å; W953-A957 PolarHBondContact O-N 3.29Å
954L87.3Confident89.1Confident4 Ų410.6 Ų10.62%0.0215%0.05CC..Hα-helixtrans-59.4-32.8-169.7-61179000113.2Y751 D757 E949 G952 A957 L958 A984 L985Y751-L954 HydrophobicContact CD1-CD1 4.21Å; D757-L954 PolarHBondContact OD2-N 3.04Å; D757-L954 VanDerWaalsContact OD2-N 3.12Å; E949-L954 HydrophobicContact CG-CD2 4.17Å; G952-L954 PolarHBondContact O-N 3.27Å; L954-A957 WeakPolarHBondContact O-CB 3.36Å; L954-A957 PolarHBondContact O-N 3Å; L954-L958 WeakPolarHBondContact O-CB 3.41Å; L954-L958 PolarHBondContact O-N 2.89Å; L954-A984 HydrophobicContact CD1-CB 3.96Å; L954-A984 WeakPolarHBondContact CD1-O 3.34Å; L954-A984 HydrophobicContact CD2-CB 3.79Å; L954-L985 HydrophobicContact CB-CD2 3.52Å; L954-L985 HydrophobicContact CB-CG 4.01Å; L954-L985 HydrophobicContact CD1-CD2 3.88Å; L954-L985 HydrophobicContact CD1-CG 4.24Å; L954-L985 HydrophobicContact CG-CD2 4.36Å
955R87.9Confident89Confident72 Ų7211.1 Ų11.127%0.2725%0.053SC..Hα-helixtrans-79.5-37.2178.8-58.8168.5173.8174.50.1111D757 N758 M760 W953 A957 L958 I959 L985D757-R955 VanDerWaalsContact OD2-CB 3.32Å; D757-R955 WeakPolarHBondContact OD2-CB 3.37Å; D757-R955 PolarHBondContact OD2-N 3.09Å; N758-R955 WeakPolarHBondContact O-CD 3.36Å; N758-R955 PolarHBondContact O-NH1 3.21Å; M760-R955 HydrophobicContact SD-CG 3.97Å; W953-R955 VanDerWaalsContact C-N 3.26Å; W953-R955 PolarHBondContact O-N 3.05Å; R955-A957 VanDerWaalsContact C-N 3.3Å; R955-A957 PolarHBondContact O-N 3.33Å; R955-L958 PolarHBondContact O-N 3.31Å; R955-I959 WeakPolarHBondContact O-CG1 3.44Å; R955-I959 PolarHBondContact O-N 2.77Å; R955-I959 VanDerWaalsContact O-N 3.14Å; R955-L985 HydrophobicContact CG-CD2 4.36Å
956S88.5Confident88.6Confident0 Ų017.3 Ų17.30%08%0.077CC..Hα-helixtrans-56.2-46.4165-56.20000111D757 N758 G849 W953 L958 I959 V960D757-S956 PolarHBondContact OD1-N 2.95Å; D757-S956 PolarHBondContact OD1-OG 2.6Å; N758-S956 PolarHBondContact ND2-OG 3.35Å; G849-S956 PolarHBondContact N-OG 3.09Å; W953-S956 CarbonylContact O-C 3.3Å; W953-S956 WeakPolarHBondContact O-CA 3.46Å; W953-S956 VanDerWaalsContact O-CB 3.3Å; W953-S956 WeakPolarHBondContact O-CB 3.44Å; W953-S956 PolarHBondContact O-N 3.49Å; W953-S956 VanDerWaalsContact O-N 3.14Å; S956-L958 PolarHBondContact O-N 3.23Å; S956-I959 PolarHBondContact O-N 3.11Å; S956-V960 WeakPolarHBondContact O-CG2 3.41Å; S956-V960 PolarHBondContact O-N 3.28Å
957A90.9Very high88.3Confident0 Ų019.3 Ų19.30%09%0.087CC..Hα-helixtrans-60.8-42.9178.200000112.1A945 E949 W953 L954 R955 I959 V960 G961 I981A945-A957 VanDerWaalsContact O-CB 3.3Å; A945-A957 WeakPolarHBondContact O-CB 3.34Å; E949-A957 HydrophobicContact CB-CB 4.27Å; W953-A957 PolarHBondContact O-N 3.29Å; L954-A957 WeakPolarHBondContact O-CB 3.36Å; L954-A957 PolarHBondContact O-N 3Å; R955-A957 VanDerWaalsContact C-N 3.3Å; R955-A957 PolarHBondContact O-N 3.33Å; A957-I959 PolarHBondContact O-N 3.06Å; A957-V960 PolarHBondContact O-N 3.48Å; A957-G961 PolarHBondContact O-N 2.83Å; A957-I981 HydrophobicContact CB-CD1 3.8Å; A957-I981 HydrophobicContact CB-CG1 4.13Å; A957-I981 HydrophobicContact CB-CG2 4.45Å
958L90.9Very high88Confident0 Ų020.4 Ų20.40%010%0.095CC..Hα-helixtrans-63.1-41.6179.1-168.171.2000112.5M760 P761 L764 P765 L954 R955 S956 G962 L978 I981 Y982 L985M760-L958 HydrophobicContact SD-CD2 4.36Å; P761-L958 HydrophobicContact CG-CD2 4.39Å; L764-L958 HydrophobicContact CD2-CD2 3.48Å; L764-L958 VanDerWaalsContact CD2-CD2 3.48Å; P765-L958 HydrophobicContact CG-CD1 4.18Å; P765-L958 HydrophobicContact CG-CG 4.05Å; L954-L958 WeakPolarHBondContact O-CB 3.41Å; L954-L958 PolarHBondContact O-N 2.89Å; R955-L958 PolarHBondContact O-N 3.31Å; S956-L958 PolarHBondContact O-N 3.23Å; L958-G962 PolarHBondContact O-N 3.4Å; L958-L978 HydrophobicContact CD1-CD2 3.91Å; L958-I981 HydrophobicContact CB-CG2 4.04Å; L958-I981 HydrophobicContact CD1-CG2 3.89Å; L958-Y982 HydrophobicContact CD1-CD1 4.37Å; L958-Y982 HydrophobicContact CD1-CD2 4.48Å; L958-Y982 HydrophobicContact CD1-CE1 3.87Å; L958-Y982 HydrophobicContact CD1-CE2 3.98Å; L958-Y982 HydrophobicContact CD2-CE1 4.29Å; L958-L985 HydrophobicContact CD2-CD1 4.13Å
959I86.5Confident87.8Confident33 Ų3323.1 Ų23.117%0.16911%0.113CC..Hα-helixtrans-63.3-48.4177.4-66163.9000110.5P761 M844 L847 R955 S956 A957 G962 M963P761-I959 HydrophobicContact CB-CD1 4.23Å; P761-I959 HydrophobicContact CB-CG1 4.13Å; P761-I959 HydrophobicContact CG-CD1 4.2Å; P761-I959 HydrophobicContact CG-CG1 3.79Å; M844-I959 HydrophobicContact SD-CG2 4.31Å; L847-I959 HydrophobicContact CD1-CB 4.4Å; L847-I959 HydrophobicContact CD1-CG2 4.22Å; L847-I959 HydrophobicContact CD2-CB 4.29Å; L847-I959 HydrophobicContact CD2-CD1 3.58Å; L847-I959 HydrophobicContact CD2-CG2 4.1Å; R955-I959 WeakPolarHBondContact O-CG1 3.44Å; R955-I959 PolarHBondContact O-N 2.77Å; R955-I959 VanDerWaalsContact O-N 3.14Å; S956-I959 PolarHBondContact O-N 3.11Å; A957-I959 PolarHBondContact O-N 3.06Å; I959-G962 PolarHBondContact O-N 3.43Å; I959-M963 PolarHBondContact O-N 3.03Å; I959-M963 VanDerWaalsContact O-N 3.1Å
960V90.8Very high87.6Confident0 Ų030.3 Ų30.30%014%0.144CC..Hα-helixtrans-66.3-43.9179.4-178.20000111.5M844 L847 L941 L944 A945 Y948 S956 A957 M963 A964M844-V960 HydrophobicContact SD-CB 4.44Å; M844-V960 HydrophobicContact SD-CG2 3.76Å; L847-V960 HydrophobicContact CD1-CG2 3.57Å; L941-V960 HydrophobicContact CB-CG1 3.98Å; L941-V960 HydrophobicContact CD2-CG1 3.81Å; L941-V960 WeakPolarHBondContact O-CG1 3.33Å; L944-V960 HydrophobicContact CB-CG1 4.1Å; L944-V960 HydrophobicContact CD2-CG1 4.19Å; L944-V960 HydrophobicContact CD2-CG2 4.25Å; L944-V960 HydrophobicContact CG-CG1 4.27Å; A945-V960 HydrophobicContact CB-CB 4.09Å; A945-V960 HydrophobicContact CB-CG1 4.03Å; Y948-V960 HydrophobicContact CD2-CG2 3.83Å; Y948-V960 HydrophobicContact CE2-CG2 3.63Å; S956-V960 WeakPolarHBondContact O-CG2 3.41Å; S956-V960 PolarHBondContact O-N 3.28Å; A957-V960 PolarHBondContact O-N 3.48Å; V960-M963 WeakPolarHBondContact O-CB 3.44Å; V960-M963 PolarHBondContact O-N 2.68Å; V960-A964 PolarHBondContact O-N 3.14Å
961G91.4Very high87.6Confident0 Ų030.1 Ų30.10%015%0.146CC..Hα-helixtrans-64.7-39.6178.100000112.5A957 M963 A964 L965A957-G961 PolarHBondContact O-N 2.83Å; G961-M963 VanDerWaalsContact C-N 3.31Å; G961-M963 PolarHBondContact O-N 2.8Å; G961-A964 WeakPolarHBondContact O-CB 3.19Å; G961-A964 PolarHBondContact O-N 3.27Å; G961-L965 PolarHBondContact O-N 2.97Å
962G90.1Very high87.9Confident4 Ų430.5 Ų30.54%0.04115%0.149CC..Hα-helixtrans-61.8-36.7172.300000113P765 L958 I959 L965 R966P765-G962 VanDerWaalsContact CG-CA 3.45Å; L958-G962 PolarHBondContact O-N 3.4Å; I959-G962 PolarHBondContact O-N 3.43Å; G962-L965 PolarHBondContact O-N 2.89Å; G962-R966 WeakPolarHBondContact O-CG 3.2Å; G962-R966 PolarHBondContact O-N 3.48Å
963M88.4Confident88.1Confident21 Ų2131.2 Ų31.210%0.10315%0.149CC..Hα-helixtrans-67.1-41.3173.3-169.470.215900112.4V98 W842 M844 L941 I959 V960 G961 L965 R966 L967V98-M963 HydrophobicContact CB-CE 3.43Å; V98-M963 VanDerWaalsContact CB-CE 3.43Å; V98-M963 HydrophobicContact CB-SD 4.34Å; V98-M963 HydrophobicContact CG1-CE 3.62Å; V98-M963 HydrophobicContact CG1-SD 4.18Å; V98-M963 HydrophobicContact CG2-CE 3.61Å; V98-M963 HydrophobicContact CG2-SD 4.06Å; W842-M963 HydrophobicContact CD2-CE 4.36Å; W842-M963 HydrophobicContact CE3-CE 3.53Å; W842-M963 HydrophobicContact CH2-CE 3.81Å; W842-M963 HydrophobicContact CZ3-CE 3.21Å; W842-M963 HydrophobicContact CZ3-CG 4.5Å; M844-M963 HydrophobicContact CE-CB 3.56Å; M844-M963 HydrophobicContact CE-CE 4.5Å; M844-M963 HydrophobicContact CE-CG 3.5Å; M844-M963 VanDerWaalsContact CE-CG 3.5Å; M844-M963 HydrophobicContact CE-SD 4.35Å; L941-M963 HydrophobicContact CD1-CB 4.34Å; L941-M963 HydrophobicContact CD1-CG 3.86Å; I959-M963 PolarHBondContact O-N 3.03Å; I959-M963 VanDerWaalsContact O-N 3.1Å; V960-M963 WeakPolarHBondContact O-CB 3.44Å; V960-M963 PolarHBondContact O-N 2.68Å; G961-M963 VanDerWaalsContact C-N 3.31Å; G961-M963 PolarHBondContact O-N 2.8Å; M963-L965 VanDerWaalsContact C-N 3.3Å; M963-L965 PolarHBondContact O-N 3.16Å; M963-R966 PolarHBondContact O-N 2.81Å; M963-L967 PolarHBondContact O-N 2.79Å; M963-L967 VanDerWaalsContact O-N 3.11Å
964A90.1Very high88.3Confident0 Ų031.2 Ų31.20%015%0.149CC..Hα-helixtrans-60.4-41.5173.600000111D938 L941 I942 V960 G961 R966 L967 S968 I974D938-A964 HydrophobicContact CB-CB 4.47Å; L941-A964 HydrophobicContact CB-CB 4.07Å; I942-A964 HydrophobicContact CB-CB 4.33Å; I942-A964 HydrophobicContact CD1-CB 4.2Å; V960-A964 PolarHBondContact O-N 3.14Å; G961-A964 WeakPolarHBondContact O-CB 3.19Å; G961-A964 PolarHBondContact O-N 3.27Å; A964-R966 PolarHBondContact O-N 2.03Å; A964-L967 PolarHBondContact O-N 3.31Å; A964-L967 VanDerWaalsContact O-N 3.15Å; A964-S968 PolarHBondContact O-N 3.42Å; A964-I974 HydrophobicContact CB-CD1 3.97Å; A964-I974 HydrophobicContact CB-CG1 4.44Å; A964-I974 HydrophobicContact CB-CG2 4.19Å; A964-I974 WeakPolarHBondContact O-CD1 3.07Å
965L90.7Very high88.6Confident15 Ų1531 Ų318%0.07915%0.148CC..Hα-helixtrans-61-42175.9-173.771.8000112G961 G962 M963 L967 S968 P969 I974 L978 F994G961-L965 PolarHBondContact O-N 2.97Å; G962-L965 PolarHBondContact O-N 2.89Å; M963-L965 VanDerWaalsContact C-N 3.3Å; M963-L965 PolarHBondContact O-N 3.16Å; L965-L967 VanDerWaalsContact C-N 3.3Å; L965-L967 PolarHBondContact O-N 3.42Å; L965-S968 CarbonylContact O-C 3.59Å; L965-S968 PolarHBondContact O-N 3.12Å; L965-P969 WeakPolarHBondContact O-CA 3.45Å; L965-P969 WeakPolarHBondContact O-CB 3.06Å; L965-P969 WeakPolarHBondContact O-CD 3.37Å; L965-I974 HydrophobicContact CB-CG2 3.87Å; L965-I974 HydrophobicContact CD1-CG2 4.08Å; L965-L978 HydrophobicContact CB-CD1 3.91Å; L965-L978 HydrophobicContact CD1-CD1 4.34Å; L965-L978 HydrophobicContact CD2-CD1 3.79Å; L965-L978 HydrophobicContact CG-CD1 4.23Å; L965-F994 HydrophobicContact CD1-CE1 4.49Å; L965-F994 HydrophobicContact CD2-CE1 3.91Å; L965-F994 HydrophobicContact CD2-CZ 4.02Å
966R84.9Confident88.8Confident130 Ų13027.8 Ų27.849%0.49114%0.136SC..Hα-helixtrans-64.1-32.7175.5-67.2178.6-159-13214.3112.5L699 G962 M963 A964L699-R966 PolarHBondContact O-NH2 2.8Å; G962-R966 WeakPolarHBondContact O-CG 3.2Å; G962-R966 PolarHBondContact O-N 3.48Å; M963-R966 PolarHBondContact O-N 2.81Å; A964-R966 PolarHBondContact O-N 2.03Å
967L84.6Confident89Confident41 Ų4127.8 Ų27.822%0.21514%0.136CC..Hα-helixtrans-77.5-32175.9-74.1-177000114.3W842 V934 K937 D938 L941 M963 A964 L965W842-L967 HydrophobicContact CH2-CD2 3.91Å; W842-L967 HydrophobicContact CZ3-CD1 3.91Å; W842-L967 HydrophobicContact CZ3-CD2 3.85Å; W842-L967 HydrophobicContact CZ3-CG 4.15Å; V934-L967 HydrophobicContact CG1-CD2 3.94Å; K937-L967 HydrophobicContact CB-CD1 3.88Å; D938-L967 HydrophobicContact CB-CB 4.08Å; D938-L967 HydrophobicContact CB-CD1 4.15Å; L941-L967 HydrophobicContact CD1-CD1 3.69Å; M963-L967 PolarHBondContact O-N 2.79Å; M963-L967 VanDerWaalsContact O-N 3.11Å; A964-L967 PolarHBondContact O-N 3.31Å; A964-L967 VanDerWaalsContact O-N 3.15Å; L965-L967 VanDerWaalsContact C-N 3.3Å; L965-L967 PolarHBondContact O-N 3.42Å
968S86.1Confident89.1Confident24 Ų2427.8 Ų27.817%0.16814%0.136CC..  trans-146.568.3-175.1-78.80000111.8K810 D938 A964 L965 K970 L971K810-S968 PolarHBondContact NZ-OG 2.93Å; D938-S968 WeakPolarHBondContact OD2-CB 3.39Å; D938-S968 PolarHBondContact OD2-OG 3.09Å; A964-S968 PolarHBondContact O-N 3.42Å; L965-S968 CarbonylContact O-C 3.59Å; L965-S968 PolarHBondContact O-N 3.12Å; S968-K970 PolarHBondContact O-N 2.91Å; S968-L971 WeakPolarHBondContact O-CB 3.4Å; S968-L971 PolarHBondContact O-N 3.25Å
969P86.1Confident89.1Confident58 Ų5827.8 Ų27.838%0.37714%0.136SC..THydrogen-bonded Turntrans-67.7-8.3-168.626.1-36.1000115.1L771 L965 H975L771-P969 HydrophobicContact CD1-CB 4.26Å; L965-P969 WeakPolarHBondContact O-CA 3.45Å; L965-P969 WeakPolarHBondContact O-CB 3.06Å; L965-P969 WeakPolarHBondContact O-CD 3.37Å; P969-H975 PolarHBondContact O-NE2 2.98Å
970K85.2Confident89.4Confident160 Ų16026.2 Ų26.270%0.69613%0.128SC*.THydrogen-bonded Turntrans-105.62176.6-63.6-172.3176.9-174.20113.9L771 S968 V972L771-K970 HydrophobicContact CD2-CG 4.41Å; S968-K970 PolarHBondContact O-N 2.91Å; K970-V972 PolarHBondContact O-N 3.34Å
971L85.5Confident89.4Confident43 Ų4326.2 Ų26.223%0.22513%0.128CC..  trans-85.2104.8-174.9-170.366.9000110.9L805 S968 I973 I974L805-L971 HydrophobicContact CD1-CD2 4.3Å; L805-L971 HydrophobicContact CD2-CD2 3.54Å; S968-L971 WeakPolarHBondContact O-CB 3.4Å; S968-L971 PolarHBondContact O-N 3.25Å; L971-I973 HydrophobicContact CD2-CG2 4.12Å; L971-I973 HydrophobicContact CG-CG2 4.15Å; L971-I973 PolarHBondContact O-N 3.35Å; L971-I974 HydrophobicContact CB-CD1 3.98Å; L971-I974 HydrophobicContact CB-CG1 4.23Å; L971-I974 HydrophobicContact CD2-CD1 3.98Å; L971-I974 HydrophobicContact CD2-CG1 4.17Å; L971-I974 HydrophobicContact CG-CD1 4.47Å; L971-I974 HydrophobicContact CG-CG1 4.44Å; L971-I974 WeakPolarHBondContact O-CB 3.36Å; L971-I974 PolarHBondContact O-N 3.3Å
972V88.8Confident89.4Confident23 Ų2326.3 Ų26.314%0.13913%0.128CC..Hα-helixtrans-37.4-46.5-176-175.40000113.7K970 I974 H975 F976 T998 L1001 Q1002 F1005K970-V972 PolarHBondContact O-N 3.34Å; V972-I974 VanDerWaalsContact C-N 3.26Å; V972-I974 PolarHBondContact O-N 3.31Å; V972-H975 WeakPolarHBondContact O-CB 3.44Å; V972-H975 PolarHBondContact O-N 2.7Å; V972-F976 PolarHBondContact O-N 3.47Å; V972-F976 VanDerWaalsContact O-N 3.15Å; V972-T998 HydrophobicContact CG1-CG2 3.72Å; V972-L1001 HydrophobicContact CG2-CB 3.82Å; V972-Q1002 HydrophobicContact CG1-CB 3.9Å; V972-Q1002 HydrophobicContact CG2-CB 3.86Å; V972-F1005 HydrophobicContact CG1-CD2 3.69Å; V972-F1005 HydrophobicContact CG1-CE2 3.97Å; V972-F1005 HydrophobicContact CG1-CG 4.31Å
973I89.6Confident89.3Confident27 Ų2727 Ų2714%0.13813%0.134CC..Hα-helixtrans-65.4-28.8-173.5-153.861.3000113.5V803 L805 L971 F976 V977 F1005V803-I973 HydrophobicContact CG1-CD1 3.67Å; V803-I973 HydrophobicContact CG1-CG1 3.42Å; V803-I973 VanDerWaalsContact CG1-CG1 3.42Å; L805-I973 HydrophobicContact CB-CG2 4.3Å; L805-I973 HydrophobicContact CD1-CG2 4.18Å; L805-I973 HydrophobicContact CD2-CG2 4.17Å; L805-I973 HydrophobicContact CG-CG2 4.46Å; L971-I973 HydrophobicContact CD2-CG2 4.12Å; L971-I973 HydrophobicContact CG-CG2 4.15Å; L971-I973 PolarHBondContact O-N 3.35Å; I973-F976 HydrophobicContact CD1-CD1 4.39Å; I973-F976 PolarHBondContact O-N 3.27Å; I973-V977 WeakPolarHBondContact O-CG2 3.44Å; I973-V977 PolarHBondContact O-N 3.22Å; I973-F1005 HydrophobicContact CD1-CE2 4.4Å; I973-F1005 HydrophobicContact CD1-CZ 4.05Å
974I90.7Very high89.2Confident0 Ų027.3 Ų27.30%014%0.14CC..Hα-helixtrans-71.7-39.7179.4-58.2179.7000110D938 I942 A964 L965 L971 V972 V977 L978D938-I974 HydrophobicContact CB-CD1 4.47Å; I942-I974 HydrophobicContact CD1-CB 4.22Å; I942-I974 HydrophobicContact CD1-CG1 4.09Å; I942-I974 HydrophobicContact CD1-CG2 4.03Å; I942-I974 HydrophobicContact CG1-CG1 4.12Å; A964-I974 HydrophobicContact CB-CD1 3.97Å; A964-I974 HydrophobicContact CB-CG1 4.44Å; A964-I974 HydrophobicContact CB-CG2 4.19Å; A964-I974 WeakPolarHBondContact O-CD1 3.07Å; L965-I974 HydrophobicContact CB-CG2 3.87Å; L965-I974 HydrophobicContact CD1-CG2 4.08Å; L971-I974 HydrophobicContact CB-CD1 3.98Å; L971-I974 HydrophobicContact CB-CG1 4.23Å; L971-I974 HydrophobicContact CD2-CD1 3.98Å; L971-I974 HydrophobicContact CD2-CG1 4.17Å; L971-I974 HydrophobicContact CG-CD1 4.47Å; L971-I974 HydrophobicContact CG-CG1 4.44Å; L971-I974 WeakPolarHBondContact O-CB 3.36Å; L971-I974 PolarHBondContact O-N 3.3Å; V972-I974 VanDerWaalsContact C-N 3.26Å; V972-I974 PolarHBondContact O-N 3.31Å; I974-V977 PolarHBondContact O-N 3.28Å; I974-L978 HydrophobicContact CG2-CD1 4.24Å; I974-L978 WeakPolarHBondContact O-CB 3.29Å; I974-L978 WeakPolarHBondContact O-CG 3.38Å; I974-L978 PolarHBondContact O-N 2.65Å
975H92.2Very high89Confident0 Ų028.5 Ų28.50%015%0.146CC..Hα-helixtrans-63.3-43.7174.6-67.9-101.2000111.3L767 P969 V972 L978 A979 F994 S997 T998 L1001L767-H975 WeakPolarHBondContact CD2-CE1 3.48Å; L767-H975 WeakPolarHBondContact CD2-ND1 3.25Å; P969-H975 PolarHBondContact O-NE2 2.98Å; V972-H975 WeakPolarHBondContact O-CB 3.44Å; V972-H975 PolarHBondContact O-N 2.7Å; H975-L978 PolarHBondContact O-N 2.83Å; H975-A979 WeakPolarHBondContact O-CB 3.25Å; H975-A979 PolarHBondContact O-N 2.85Å; H975-F994 HydrophobicContact CB-CD1 4.31Å; H975-F994 AromaticContact ND1-CD1 3.88Å; H975-S997 PolarHBondContact CE1-OG 3.25Å; H975-S997 PolarHBondContact ND1-OG 2.76Å; H975-T998 WeakPolarHBondContact CB-OG1 3.36Å; H975-L1001 VanDerWaalsContact CD2-CD1 3.45Å; H975-L1001 WeakPolarHBondContact CD2-CD1 3.43Å; H975-L1001 WeakPolarHBondContact NE2-CD1 3.36Å
976F92Very high88.6Confident5 Ų529.7 Ų29.72%0.02216%0.162CC..Hα-helixtrans-63.5-42.9177.6-178.1-116.7000112.8V801 V803 V972 I973 A979 N980 Y995 T998 F1005 P1007 A1008V801-F976 HydrophobicContact CB-CE1 4.33Å; V801-F976 HydrophobicContact CG1-CE1 3.9Å; V801-F976 HydrophobicContact CG1-CZ 4.17Å; V801-F976 HydrophobicContact CG2-CZ 4.35Å; V803-F976 HydrophobicContact CG2-CD1 4.03Å; V803-F976 HydrophobicContact CG2-CE1 3.97Å; V972-F976 PolarHBondContact O-N 3.47Å; V972-F976 VanDerWaalsContact O-N 3.15Å; I973-F976 HydrophobicContact CD1-CD1 4.39Å; I973-F976 PolarHBondContact O-N 3.27Å; F976-A979 WeakPolarHBondContact O-CB 3.19Å; F976-A979 PolarHBondContact O-N 3.33Å; F976-N980 WeakPolarHBondContact CE1-ND2 3.33Å; F976-N980 WeakPolarHBondContact CZ-ND2 3.45Å; F976-N980 PolarHBondContact O-N 2.95Å; F976-N980 PolarHBondContact O-ND2 3.29Å; F976-N980 VanDerWaalsContact O-ND2 3.13Å; F976-Y995 HydrophobicContact CD2-CD1 4.34Å; F976-Y995 HydrophobicContact CD2-CE1 4.1Å; F976-Y995 HydrophobicContact CE2-CE1 4.01Å; F976-T998 HydrophobicContact CB-CG2 3.94Å; F976-T998 PolarHBondContact N-OG1 2.94Å; F976-F1005 HydrophobicContact CB-CE1 4.12Å; F976-F1005 HydrophobicContact CB-CZ 4.28Å; F976-F1005 AromaticContact CD1-CE1 3.87Å; F976-F1005 HydrophobicContact CD1-CE1 3.87Å; F976-F1005 HydrophobicContact CD1-CZ 4Å; F976-F1005 HydrophobicContact CD2-CD1 4.32Å; F976-F1005 AromaticContact CD2-CE1 3.65Å; F976-F1005 HydrophobicContact CD2-CE1 3.65Å; F976-F1005 HydrophobicContact CE1-CE1 4.17Å; F976-F1005 HydrophobicContact CE1-CZ 4.49Å; F976-F1005 AromaticContact CE2-CE1 3.97Å; F976-F1005 HydrophobicContact CE2-CE1 3.97Å; F976-F1005 AromaticContact CG-CE1 3.59Å; F976-F1005 HydrophobicContact CG-CE1 3.59Å; F976-F1005 HydrophobicContact CG-CZ 4.01Å; F976-F1005 HydrophobicContact CZ-CE1 4.22Å; F976-P1007 HydrophobicContact CE2-CB 4.16Å; F976-P1007 HydrophobicContact CZ-CB 3.89Å; F976-A1008 HydrophobicContact CD2-CB 3.92Å; F976-A1008 HydrophobicContact CE2-CB 4.21Å
977V92.7Very high88.7Confident0 Ų025.2 Ų25.20%015%0.148CC..Hα-helixtrans-66.2-43.1176.6169.30000111.2V803 I942 A945 I973 I974 A979 N980 I981V803-V977 HydrophobicContact CB-CG2 4.03Å; V803-V977 HydrophobicContact CG1-CG2 3.77Å; V803-V977 HydrophobicContact CG2-CG2 3.98Å; I942-V977 HydrophobicContact CD1-CB 3.84Å; I942-V977 HydrophobicContact CD1-CG1 3.75Å; I942-V977 HydrophobicContact CD1-CG2 4.24Å; I942-V977 HydrophobicContact CG1-CB 4.32Å; I942-V977 HydrophobicContact CG1-CG1 4.42Å; I942-V977 HydrophobicContact CG1-CG2 4.16Å; A945-V977 HydrophobicContact CB-CG1 4.5Å; I973-V977 WeakPolarHBondContact O-CG2 3.44Å; I973-V977 PolarHBondContact O-N 3.22Å; I974-V977 PolarHBondContact O-N 3.28Å; V977-A979 VanDerWaalsContact C-N 3.33Å; V977-A979 PolarHBondContact O-N 3.3Å; V977-N980 PolarHBondContact O-N 3.04Å; V977-I981 HydrophobicContact CG1-CD1 3.77Å; V977-I981 HydrophobicContact CG1-CG1 4.45Å; V977-I981 WeakPolarHBondContact O-CG1 3.49Å; V977-I981 PolarHBondContact O-N 3.43Å
978L93.1Very high88.7Confident0 Ų026.8 Ų26.80%016%0.159CC..Hα-helixtrans-62.8-38.3174.2-76.5172.6000112.3P765 L958 L965 I974 H975 N980 I981 Y982 F994P765-L978 HydrophobicContact CB-CD1 4.43Å; L958-L978 HydrophobicContact CD1-CD2 3.91Å; L965-L978 HydrophobicContact CB-CD1 3.91Å; L965-L978 HydrophobicContact CD1-CD1 4.34Å; L965-L978 HydrophobicContact CD2-CD1 3.79Å; L965-L978 HydrophobicContact CG-CD1 4.23Å; I974-L978 HydrophobicContact CG2-CD1 4.24Å; I974-L978 WeakPolarHBondContact O-CB 3.29Å; I974-L978 WeakPolarHBondContact O-CG 3.38Å; I974-L978 PolarHBondContact O-N 2.65Å; H975-L978 PolarHBondContact O-N 2.83Å; L978-N980 VanDerWaalsContact C-N 3.33Å; L978-N980 PolarHBondContact O-N 3.3Å; L978-I981 HydrophobicContact CD2-CD1 4.47Å; L978-I981 PolarHBondContact O-N 3.21Å; L978-Y982 WeakPolarHBondContact O-CD2 3.38Å; L978-Y982 PolarHBondContact O-N 3.25Å; L978-F994 HydrophobicContact CB-CD1 3.85Å; L978-F994 HydrophobicContact CB-CE1 4.01Å; L978-F994 HydrophobicContact CB-CG 4.14Å; L978-F994 HydrophobicContact CB-CZ 4.46Å; L978-F994 HydrophobicContact CD1-CD1 4.31Å; L978-F994 HydrophobicContact CD1-CE1 3.66Å; L978-F994 HydrophobicContact CD1-CZ 4.02Å; L978-F994 HydrophobicContact CG-CE1 4.5Å
979A92.1Very high88.6Confident0 Ų031.2 Ų31.20%018%0.177CC..Hα-helixtrans-60.1-41.3173.600000112.4H975 F976 V977 A983 F994 Y995H975-A979 WeakPolarHBondContact O-CB 3.25Å; H975-A979 PolarHBondContact O-N 2.85Å; F976-A979 WeakPolarHBondContact O-CB 3.19Å; F976-A979 PolarHBondContact O-N 3.33Å; V977-A979 VanDerWaalsContact C-N 3.33Å; V977-A979 PolarHBondContact O-N 3.3Å; A979-A983 VanDerWaalsContact O-CB 3.29Å; A979-A983 WeakPolarHBondContact O-CB 3.49Å; A979-A983 PolarHBondContact O-N 3.49Å; A979-F994 HydrophobicContact CB-CB 3.65Å; A979-Y995 HydrophobicContact CB-CD1 3.44Å; A979-Y995 VanDerWaalsContact CB-CD1 3.44Å; A979-Y995 HydrophobicContact CB-CD2 3.97Å; A979-Y995 HydrophobicContact CB-CE1 3.46Å; A979-Y995 VanDerWaalsContact CB-CE1 3.46Å; A979-Y995 HydrophobicContact CB-CE2 3.98Å; A979-Y995 HydrophobicContact CB-CG 3.7Å
980N91.8Very high88.7Confident0 Ų031.7 Ų31.70%017%0.172CC..Hα-helixtrans-66-43.9175-69.2-41.1000111.9F976 V977 L978 A983 A984 Y995 R1011F976-N980 WeakPolarHBondContact CE1-ND2 3.33Å; F976-N980 WeakPolarHBondContact CZ-ND2 3.45Å; F976-N980 PolarHBondContact O-N 2.95Å; F976-N980 PolarHBondContact O-ND2 3.29Å; F976-N980 VanDerWaalsContact O-ND2 3.13Å; V977-N980 PolarHBondContact O-N 3.04Å; L978-N980 VanDerWaalsContact C-N 3.33Å; L978-N980 PolarHBondContact O-N 3.3Å; N980-A983 PolarHBondContact O-N 3.41Å; N980-A984 WeakPolarHBondContact O-CB 3.37Å; N980-A984 PolarHBondContact O-N 3.23Å; N980-Y995 PolarHBondContact OD1-OH 3.47Å; N980-Y995 VanDerWaalsContact OD1-OH 3.05Å; N980-R1011 WeakPolarHBondContact OD1-CD 3.46Å; N980-R1011 PolarHBondContact OD1-NE 3.21Å
981I91.3Very high88.9Confident0 Ų024.1 Ų24.10%014%0.138CC..Hα-helixtrans-62.4-45.6177.5-65.7162.5000111E949 A957 L958 V977 L978 A984 L985E949-I981 HydrophobicContact CB-CG1 4.17Å; E949-I981 HydrophobicContact CG-CG1 4.05Å; A957-I981 HydrophobicContact CB-CD1 3.8Å; A957-I981 HydrophobicContact CB-CG1 4.13Å; A957-I981 HydrophobicContact CB-CG2 4.45Å; L958-I981 HydrophobicContact CB-CG2 4.04Å; L958-I981 HydrophobicContact CD1-CG2 3.89Å; V977-I981 HydrophobicContact CG1-CD1 3.77Å; V977-I981 HydrophobicContact CG1-CG1 4.45Å; V977-I981 WeakPolarHBondContact O-CG1 3.49Å; V977-I981 PolarHBondContact O-N 3.43Å; L978-I981 HydrophobicContact CD2-CD1 4.47Å; L978-I981 PolarHBondContact O-N 3.21Å; I981-A984 PolarHBondContact O-N 3.06Å; I981-L985 HydrophobicContact CG2-CD1 4.04Å; I981-L985 WeakPolarHBondContact O-CG 3.24Å; I981-L985 PolarHBondContact O-N 3.08Å
982Y91Very high89.1Confident1 Ų124.2 Ų24.20%0.00414%0.139CC..Hα-helixtrans-64-40.4175.4-78.3-62.7000112.4L764 P765 L958 L978 A984 L985 G986 D987 R990 F994L764-Y982 HydrophobicContact CB-CE1 4.27Å; L764-Y982 WeakPolarHBondContact CB-OH 3.49Å; P765-Y982 WeakPolarHBondContact CD-OH 3.37Å; P765-Y982 VanDerWaalsContact N-OH 3.15Å; P765-Y982 PolarHBondContact O-OH 2.93Å; L958-Y982 HydrophobicContact CD1-CD1 4.37Å; L958-Y982 HydrophobicContact CD1-CD2 4.48Å; L958-Y982 HydrophobicContact CD1-CE1 3.87Å; L958-Y982 HydrophobicContact CD1-CE2 3.98Å; L958-Y982 HydrophobicContact CD2-CE1 4.29Å; L978-Y982 WeakPolarHBondContact O-CD2 3.38Å; L978-Y982 PolarHBondContact O-N 3.25Å; Y982-A984 VanDerWaalsContact C-N 3.3Å; Y982-A984 PolarHBondContact O-N 3.25Å; Y982-L985 PolarHBondContact O-N 3.02Å; Y982-G986 PolarHBondContact O-N 3.4Å; Y982-G986 VanDerWaalsContact O-N 3.14Å; Y982-D987 HydrophobicContact CD1-CB 4.03Å; Y982-D987 PolarHBondContact O-N 3.24Å; Y982-R990 HydrophobicContact CD1-CB 3.72Å; Y982-R990 HydrophobicContact CD2-CB 3.97Å; Y982-R990 HydrophobicContact CE1-CB 3.91Å; Y982-R990 VanDerWaalsContact CE1-CD 3.48Å; Y982-R990 HydrophobicContact CE1-CG 4.32Å; Y982-R990 HydrophobicContact CE2-CB 4.16Å; Y982-R990 HydrophobicContact CG-CB 3.75Å; Y982-F994 AromaticContact CD2-CD2 3.66Å; Y982-F994 HydrophobicContact CD2-CD2 3.66Å; Y982-F994 AromaticContact CD2-CE2 3.99Å; Y982-F994 HydrophobicContact CD2-CE2 3.99Å; Y982-F994 HydrophobicContact CD2-CG 4.47Å; Y982-F994 AromaticContact CE2-CD2 3.55Å; Y982-F994 HydrophobicContact CE2-CD2 3.55Å; Y982-F994 AromaticContact CE2-CE2 3.36Å; Y982-F994 HydrophobicContact CE2-CE2 3.36Å; Y982-F994 HydrophobicContact CE2-CZ 4.22Å
983A89Confident89Confident20 Ų2026.4 Ų26.417%0.16515%0.147CC..Hα-helixtrans-63.3-3717500000112A979 N980 G986 A991 L1015A979-A983 VanDerWaalsContact O-CB 3.29Å; A979-A983 WeakPolarHBondContact O-CB 3.49Å; A979-A983 PolarHBondContact O-N 3.49Å; N980-A983 PolarHBondContact O-N 3.41Å; A983-G986 PolarHBondContact O-N 3.18Å; A983-A991 HydrophobicContact CB-CB 4Å; A983-L1015 HydrophobicContact CB-CD1 4.46Å; A983-L1015 HydrophobicContact CB-CD2 4.32Å
984A86.7Confident89.1Confident26 Ų2625.2 Ų25.222%0.21514%0.141CC..Hα-helixtrans-72.5-27.9174.900000113.1Y751 L954 N980 I981 Y982 G986Y751-A984 WeakPolarHBondContact CB-O 3.34Å; L954-A984 HydrophobicContact CD1-CB 3.96Å; L954-A984 WeakPolarHBondContact CD1-O 3.34Å; L954-A984 HydrophobicContact CD2-CB 3.79Å; N980-A984 WeakPolarHBondContact O-CB 3.37Å; N980-A984 PolarHBondContact O-N 3.23Å; I981-A984 PolarHBondContact O-N 3.06Å; Y982-A984 VanDerWaalsContact C-N 3.3Å; Y982-A984 PolarHBondContact O-N 3.25Å; A984-G986 VanDerWaalsContact C-N 3.26Å
985L84.9Confident89.1Confident26 Ų2625.2 Ų25.214%0.13614%0.141CC..THydrogen-bonded Turntrans-77.8-8.1171-72.9170.1000113.4M760 L954 R955 L958 I981 Y982 D987M760-L985 HydrophobicContact CE-CD1 4.21Å; M760-L985 HydrophobicContact CE-CD2 4.02Å; M760-L985 HydrophobicContact SD-CD1 4.47Å; L954-L985 HydrophobicContact CB-CD2 3.52Å; L954-L985 HydrophobicContact CB-CG 4.01Å; L954-L985 HydrophobicContact CD1-CD2 3.88Å; L954-L985 HydrophobicContact CD1-CG 4.24Å; L954-L985 HydrophobicContact CG-CD2 4.36Å; R955-L985 HydrophobicContact CG-CD2 4.36Å; L958-L985 HydrophobicContact CD2-CD1 4.13Å; I981-L985 HydrophobicContact CG2-CD1 4.04Å; I981-L985 WeakPolarHBondContact O-CG 3.24Å; I981-L985 PolarHBondContact O-N 3.08Å; Y982-L985 PolarHBondContact O-N 3.02Å; L985-D987 VanDerWaalsContact C-N 3.32Å
986G83.2Confident88.9Confident40 Ų4026.9 Ų26.941%0.41215%0.152SC..THydrogen-bonded Turntrans81.22.5-175.500000115.1Y982 A983 A984 T988Y982-G986 PolarHBondContact O-N 3.4Å; Y982-G986 VanDerWaalsContact O-N 3.14Å; A983-G986 PolarHBondContact O-N 3.18Å; A984-G986 VanDerWaalsContact C-N 3.26Å; G986-T988 PolarHBondContact O-N 2.96Å
987D85.1Confident88.8Confident35 Ų3526.6 Ų26.619%0.18715%0.151CC..  trans-8083.7176.4-172.2-25.3000110Y982 L985 E989 R990 A991Y982-D987 HydrophobicContact CD1-CB 4.03Å; Y982-D987 PolarHBondContact O-N 3.24Å; L985-D987 VanDerWaalsContact C-N 3.32Å; D987-E989 VanDerWaalsContact C-N 3.28Å; D987-E989 PolarHBondContact O-N 2.91Å; D987-E989 PolarHBondContact OD1-N 2.9Å; D987-R990 WeakPolarHBondContact OD1-CB 3.49Å; D987-R990 PolarHBondContact OD1-N 3.43Å; D987-R990 WeakPolarHBondContact OD2-CD 3.19Å; D987-R990 WeakPolarHBondContact OD2-CG 3.2Å; D987-R990 IonicContact OD2-CZ 3.65Å; D987-R990 IonicContact OD2-NE 2.75Å; D987-R990 IonicContact OD2-NH1 2.65Å; D987-R990 PolarHBondContact OD2-NH1 3.18Å; D987-A991 WeakPolarHBondContact O-CB 3.31Å; D987-A991 PolarHBondContact O-N 3.19Å
988T85.2Confident88.5Confident75 Ų7526.6 Ų26.646%0.4615%0.151SC..Hα-helixtrans-63.9-32.5-177.849.20000113G986 L992 L1015G986-T988 PolarHBondContact O-N 2.96Å; T988-L992 WeakPolarHBondContact O-CB 3.46Å; T988-L992 VanDerWaalsContact O-CG 3.22Å; T988-L992 WeakPolarHBondContact O-CG 3.27Å; T988-L992 PolarHBondContact O-N 3.48Å; T988-L1015 HydrophobicContact CG2-CD1 4.09Å; T988-L1015 HydrophobicContact CG2-CD2 4.38Å; T988-L1015 HydrophobicContact CG2-CG 4.2Å
989E84.3Confident88.2Confident117 Ų11728.2 Ų28.255%0.54716%0.159SC..Hα-helixtrans-71.1-50.3-176.9-163.4-161.3148.800110.9D987 L992 K993D987-E989 VanDerWaalsContact C-N 3.28Å; D987-E989 PolarHBondContact O-N 2.91Å; D987-E989 PolarHBondContact OD1-N 2.9Å; E989-L992 PolarHBondContact O-N 3.02Å; E989-K993 WeakPolarHBondContact O-CG 3.44Å; E989-K993 PolarHBondContact O-N 3.28Å; E989-K993 VanDerWaalsContact O-N 3.1Å; E989-K993 WeakPolarHBondContact OE1-CE 3.35Å; E989-K993 IonicContact OE1-NZ 3.65Å; E989-K993 PolarHBondContact OE1-NZ 2.97Å
990R88.3Confident87.8Confident68 Ų6831.7 Ų31.726%0.25718%0.183SC..Hα-helixtrans-66.8-38.5176.1-66.1-170.3177.279.83.3111.4E766 Y982 D987 L992 K993 F994E766-R990 IonicContact OE1-CZ 3.83Å; E766-R990 VanDerWaalsContact OE1-CZ 3.3Å; E766-R990 IonicContact OE1-NE 3.17Å; E766-R990 PolarHBondContact OE1-NE 2.89Å; E766-R990 IonicContact OE1-NH2 2.75Å; E766-R990 PolarHBondContact OE1-NH2 3.03Å; Y982-R990 HydrophobicContact CD1-CB 3.72Å; Y982-R990 HydrophobicContact CD2-CB 3.97Å; Y982-R990 HydrophobicContact CE1-CB 3.91Å; Y982-R990 VanDerWaalsContact CE1-CD 3.48Å; Y982-R990 HydrophobicContact CE1-CG 4.32Å; Y982-R990 HydrophobicContact CE2-CB 4.16Å; Y982-R990 HydrophobicContact CG-CB 3.75Å; D987-R990 WeakPolarHBondContact OD1-CB 3.49Å; D987-R990 PolarHBondContact OD1-N 3.43Å; D987-R990 WeakPolarHBondContact OD2-CD 3.19Å; D987-R990 WeakPolarHBondContact OD2-CG 3.2Å; D987-R990 IonicContact OD2-CZ 3.65Å; D987-R990 IonicContact OD2-NE 2.75Å; D987-R990 IonicContact OD2-NH1 2.65Å; D987-R990 PolarHBondContact OD2-NH1 3.18Å; R990-L992 PolarHBondContact O-N 3Å; R990-K993 PolarHBondContact O-N 2.96Å; R990-F994 WeakPolarHBondContact O-CD2 3.33Å; R990-F994 PolarHBondContact O-N 2.93Å
991A89.4Confident87.5Confident0 Ų034.5 Ų34.50%020%0.198CC..Hα-helixtrans-56.3-47.9174.800000112.1A983 D987 F994 Y995 L1015A983-A991 HydrophobicContact CB-CB 4Å; D987-A991 WeakPolarHBondContact O-CB 3.31Å; D987-A991 PolarHBondContact O-N 3.19Å; A991-F994 PolarHBondContact O-N 3.38Å; A991-Y995 HydrophobicContact CB-CE2 4.27Å; A991-Y995 WeakPolarHBondContact O-CD2 3.37Å; A991-Y995 PolarHBondContact O-N 3.05Å; A991-L1015 HydrophobicContact CB-CD2 3.66Å
992L88.9Confident87.2Confident45 Ų4538.7 Ų38.724%0.23622%0.218CC..Hα-helixtrans-65.7-37.5178.3-70.2170000112.7T988 E989 R990 Y995 S996 A1012 L1015 L1016T988-L992 WeakPolarHBondContact O-CB 3.46Å; T988-L992 VanDerWaalsContact O-CG 3.22Å; T988-L992 WeakPolarHBondContact O-CG 3.27Å; T988-L992 PolarHBondContact O-N 3.48Å; E989-L992 PolarHBondContact O-N 3.02Å; R990-L992 PolarHBondContact O-N 3Å; L992-Y995 PolarHBondContact O-N 3.26Å; L992-S996 WeakPolarHBondContact O-CB 3.44Å; L992-S996 PolarHBondContact O-N 2.94Å; L992-S996 PolarHBondContact O-OG 3.47Å; L992-A1012 HydrophobicContact CD2-CB 4.18Å; L992-L1015 HydrophobicContact CD2-CD2 4.29Å; L992-L1015 HydrophobicContact CG-CD2 4.21Å; L992-L1016 HydrophobicContact CD1-CD2 3.66Å; L992-L1016 HydrophobicContact CD1-CG 4.33Å; L992-L1016 HydrophobicContact CD2-CD1 4.39Å; L992-L1016 HydrophobicContact CD2-CD2 4.16Å; L992-L1016 HydrophobicContact CD2-CG 3.93Å
993K88.5Confident86.6Confident69 Ų6943 Ų4330%0.325%0.248SC..Hα-helixtrans-61.2-40.8172.4-70.4172.7-175170.40112.3L767 E989 R990 S996 S997L767-K993 HydrophobicContact CD1-CB 4.22Å; L767-K993 VanDerWaalsContact CD1-O 3.27Å; L767-K993 WeakPolarHBondContact CD1-O 3.49Å; E989-K993 WeakPolarHBondContact O-CG 3.44Å; E989-K993 PolarHBondContact O-N 3.28Å; E989-K993 VanDerWaalsContact O-N 3.1Å; E989-K993 WeakPolarHBondContact OE1-CE 3.35Å; E989-K993 IonicContact OE1-NZ 3.65Å; E989-K993 PolarHBondContact OE1-NZ 2.97Å; R990-K993 PolarHBondContact O-N 2.96Å; K993-S996 PolarHBondContact O-OG 3.44Å; K993-S997 PolarHBondContact O-N 3.22Å
994F90.8Very high86.1Confident3 Ų348.5 Ų48.51%0.01327%0.274CS..Hα-helixtrans-75-34.6177.2-85.3-80.7000113.3P765 L767 L965 H975 L978 A979 Y982 R990 A991 T998P765-F994 WeakPolarHBondContact O-CE2 3.49Å; P765-F994 WeakPolarHBondContact O-CZ 3.28Å; L767-F994 HydrophobicContact CD1-CD1 4.19Å; L767-F994 HydrophobicContact CD1-CD2 4.43Å; L767-F994 HydrophobicContact CD1-CE1 4.31Å; L767-F994 HydrophobicContact CD1-CG 4.27Å; L767-F994 HydrophobicContact CD1-CZ 4.47Å; L767-F994 HydrophobicContact CD2-CD1 3.94Å; L767-F994 HydrophobicContact CD2-CE1 3.51Å; L767-F994 HydrophobicContact CD2-CZ 3.98Å; L767-F994 HydrophobicContact CG-CD1 4.07Å; L767-F994 HydrophobicContact CG-CD2 4.47Å; L767-F994 HydrophobicContact CG-CE1 3.69Å; L767-F994 HydrophobicContact CG-CE2 4.09Å; L767-F994 HydrophobicContact CG-CG 4.46Å; L767-F994 HydrophobicContact CG-CZ 3.7Å; L965-F994 HydrophobicContact CD1-CE1 4.49Å; L965-F994 HydrophobicContact CD2-CE1 3.91Å; L965-F994 HydrophobicContact CD2-CZ 4.02Å; H975-F994 HydrophobicContact CB-CD1 4.31Å; H975-F994 AromaticContact ND1-CD1 3.88Å; L978-F994 HydrophobicContact CB-CD1 3.85Å; L978-F994 HydrophobicContact CB-CE1 4.01Å; L978-F994 HydrophobicContact CB-CG 4.14Å; L978-F994 HydrophobicContact CB-CZ 4.46Å; L978-F994 HydrophobicContact CD1-CD1 4.31Å; L978-F994 HydrophobicContact CD1-CE1 3.66Å; L978-F994 HydrophobicContact CD1-CZ 4.02Å; L978-F994 HydrophobicContact CG-CE1 4.5Å; A979-F994 HydrophobicContact CB-CB 3.65Å; Y982-F994 AromaticContact CD2-CD2 3.66Å; Y982-F994 HydrophobicContact CD2-CD2 3.66Å; Y982-F994 AromaticContact CD2-CE2 3.99Å; Y982-F994 HydrophobicContact CD2-CE2 3.99Å; Y982-F994 HydrophobicContact CD2-CG 4.47Å; Y982-F994 AromaticContact CE2-CD2 3.55Å; Y982-F994 HydrophobicContact CE2-CD2 3.55Å; Y982-F994 AromaticContact CE2-CE2 3.36Å; Y982-F994 HydrophobicContact CE2-CE2 3.36Å; Y982-F994 HydrophobicContact CE2-CZ 4.22Å; R990-F994 WeakPolarHBondContact O-CD2 3.33Å; R990-F994 PolarHBondContact O-N 2.93Å; A991-F994 PolarHBondContact O-N 3.38Å; F994-T998 PolarHBondContact O-N 3.29Å; F994-T998 PolarHBondContact O-OG1 3.14Å
995Y90.7Very high85.9Confident0 Ų048.7 Ų48.70%027%0.27CS..Hα-helixtrans-64-42.8169.6-71.1-57.5000111.5F976 A979 N980 A991 L992 S997 T998 M999 A1008 R1011 A1012 L1015F976-Y995 HydrophobicContact CD2-CD1 4.34Å; F976-Y995 HydrophobicContact CD2-CE1 4.1Å; F976-Y995 HydrophobicContact CE2-CE1 4.01Å; A979-Y995 HydrophobicContact CB-CD1 3.44Å; A979-Y995 VanDerWaalsContact CB-CD1 3.44Å; A979-Y995 HydrophobicContact CB-CD2 3.97Å; A979-Y995 HydrophobicContact CB-CE1 3.46Å; A979-Y995 VanDerWaalsContact CB-CE1 3.46Å; A979-Y995 HydrophobicContact CB-CE2 3.98Å; A979-Y995 HydrophobicContact CB-CG 3.7Å; N980-Y995 PolarHBondContact OD1-OH 3.47Å; N980-Y995 VanDerWaalsContact OD1-OH 3.05Å; A991-Y995 HydrophobicContact CB-CE2 4.27Å; A991-Y995 WeakPolarHBondContact O-CD2 3.37Å; A991-Y995 PolarHBondContact O-N 3.05Å; L992-Y995 PolarHBondContact O-N 3.26Å; Y995-S997 PolarHBondContact O-N 3.36Å; Y995-T998 WeakPolarHBondContact O-CB 3.5Å; Y995-T998 PolarHBondContact O-N 2.87Å; Y995-M999 WeakPolarHBondContact O-CE 3.36Å; Y995-M999 PolarHBondContact O-N 2.86Å; Y995-A1008 HydrophobicContact CD1-CB 3.95Å; Y995-R1011 HydrophobicContact CE1-CB 3.83Å; Y995-A1012 HydrophobicContact CD2-CB 3.93Å; Y995-A1012 HydrophobicContact CG-CB 3.91Å; Y995-L1015 HydrophobicContact CE2-CD2 4.2Å
996S87.7Confident85.8Confident34 Ų3451.3 Ų51.324%0.23828%0.282CS..Hα-helixtrans-65.5-37.9178.272.40000112.4L992 K993 M999 S1000L992-S996 WeakPolarHBondContact O-CB 3.44Å; L992-S996 PolarHBondContact O-N 2.94Å; L992-S996 PolarHBondContact O-OG 3.47Å; K993-S996 PolarHBondContact O-OG 3.44Å; S996-M999 PolarHBondContact O-N 3.4Å; S996-S1000 PolarHBondContact O-N 2.63Å
997S89.2Confident85.9Confident0 Ų052.6 Ų52.60%028%0.283CS..Hα-helixtrans-66.8-36.1171-163.70000112.6L771 H975 K993 Y995 M999 S1000 L1001L771-S997 PolarHBondContact O-OG 3.34Å; H975-S997 PolarHBondContact CE1-OG 3.25Å; H975-S997 PolarHBondContact ND1-OG 2.76Å; K993-S997 PolarHBondContact O-N 3.22Å; Y995-S997 PolarHBondContact O-N 3.36Å; S997-M999 VanDerWaalsContact C-N 3.32Å; S997-M999 PolarHBondContact O-N 2.91Å; S997-S1000 WeakPolarHBondContact CA-OG 3.3Å; S997-S1000 PolarHBondContact O-N 2.92Å; S997-S1000 PolarHBondContact O-OG 3.27Å; S997-L1001 WeakPolarHBondContact O-CB 3.25Å; S997-L1001 VanDerWaalsContact O-CG 3.32Å; S997-L1001 WeakPolarHBondContact O-CG 3.45Å; S997-L1001 PolarHBondContact O-N 2.99Å
998T88.3Confident85.9Confident0 Ų051 Ų510%027%0.274CS..Hα-helixtrans-58.4-45.3171.8-53.40000111.2V972 H975 F976 F994 Y995 L1001 Q1002 F1005 A1008V972-T998 HydrophobicContact CG1-CG2 3.72Å; H975-T998 WeakPolarHBondContact CB-OG1 3.36Å; F976-T998 HydrophobicContact CB-CG2 3.94Å; F976-T998 PolarHBondContact N-OG1 2.94Å; F994-T998 PolarHBondContact O-N 3.29Å; F994-T998 PolarHBondContact O-OG1 3.14Å; Y995-T998 WeakPolarHBondContact O-CB 3.5Å; Y995-T998 PolarHBondContact O-N 2.87Å; T998-L1001 PolarHBondContact O-N 3.16Å; T998-Q1002 PolarHBondContact O-N 3.3Å; T998-F1005 HydrophobicContact CG2-CB 4.34Å; T998-F1005 HydrophobicContact CG2-CD1 3.85Å; T998-F1005 HydrophobicContact CG2-CE1 4.28Å; T998-F1005 HydrophobicContact CG2-CG 4Å; T998-A1008 HydrophobicContact CG2-CB 3.74Å
999M86.6Confident85.9Confident34 Ų3451 Ų5117%0.16727%0.268CS..Hα-helixtrans-72.5-28.2177.9-70178.4-74.200113.4M777 Y995 S996 S997 Q1002 S1003 A1008 K1009 A1012M777-M999 HydrophobicContact CE-CE 3.58Å; M777-M999 HydrophobicContact CE-SD 4.01Å; M777-M999 HydrophobicContact SD-CE 3.8Å; Y995-M999 WeakPolarHBondContact O-CE 3.36Å; Y995-M999 PolarHBondContact O-N 2.86Å; S996-M999 PolarHBondContact O-N 3.4Å; S997-M999 VanDerWaalsContact C-N 3.32Å; S997-M999 PolarHBondContact O-N 2.91Å; M999-Q1002 CarbonylContact O-C 3.55Å; M999-Q1002 VanDerWaalsContact O-C 3.28Å; M999-S1003 VanDerWaalsContact O-CA 3.23Å; M999-S1003 WeakPolarHBondContact O-CA 3.49Å; M999-S1003 PolarHBondContact O-N 3.37Å; M999-S1003 VanDerWaalsContact O-N 3.15Å; M999-A1008 HydrophobicContact CG-CB 4.27Å; M999-K1009 HydrophobicContact SD-CB 3.73Å; M999-K1009 HydrophobicContact SD-CG 4.25Å; M999-A1012 HydrophobicContact CE-CB 4.36Å
1000S83.8Confident85.9Confident73 Ų7347.8 Ų47.851%0.5126%0.255SS..Hα-helixtrans-73.2-33.217475.50000112.4S996 S997S996-S1000 PolarHBondContact O-N 2.63Å; S997-S1000 WeakPolarHBondContact CA-OG 3.3Å; S997-S1000 PolarHBondContact O-N 2.92Å; S997-S1000 PolarHBondContact O-OG 3.27Å
1001L85Confident85.8Confident59 Ų5945.5 Ų45.531%0.30925%0.246SC..Hα-helixtrans-79.1-32.2175.2-65.9169.7000112.5V972 H975 S997 T998V972-L1001 HydrophobicContact CG2-CB 3.82Å; H975-L1001 VanDerWaalsContact CD2-CD1 3.45Å; H975-L1001 WeakPolarHBondContact CD2-CD1 3.43Å; H975-L1001 WeakPolarHBondContact NE2-CD1 3.36Å; S997-L1001 WeakPolarHBondContact O-CB 3.25Å; S997-L1001 VanDerWaalsContact O-CG 3.32Å; S997-L1001 WeakPolarHBondContact O-CG 3.45Å; S997-L1001 PolarHBondContact O-N 2.99Å; T998-L1001 PolarHBondContact O-N 3.16Å
1002Q83.9Confident85.7Confident88 Ų8845.5 Ų45.541%0.41125%0.246SC..  trans-145.997.9174.1-176.1177.2-21.300111V972 T998 M999 N1004 F1005V972-Q1002 HydrophobicContact CG1-CB 3.9Å; V972-Q1002 HydrophobicContact CG2-CB 3.86Å; T998-Q1002 PolarHBondContact O-N 3.3Å; M999-Q1002 CarbonylContact O-C 3.55Å; M999-Q1002 VanDerWaalsContact O-C 3.28Å; Q1002-N1004 PolarHBondContact O-N 2.95Å; Q1002-N1004 VanDerWaalsContact O-N 3.13Å; Q1002-F1005 HydrophobicContact CB-CB 4.26Å; Q1002-F1005 HydrophobicContact CG-CB 4.2Å; Q1002-F1005 HydrophobicContact CG-CD2 4.49Å; Q1002-F1005 VanDerWaalsContact O-CB 3.32Å; Q1002-F1005 WeakPolarHBondContact O-CB 3.46Å; Q1002-F1005 PolarHBondContact O-N 3.13Å
1003S78.9Confident85.4Confident91 Ų9144.3 Ų44.364%0.63624%0.24SC*.THydrogen-bonded Turntrans-55.2-33.8-176.754.70000114.6M999 F1005M999-S1003 VanDerWaalsContact O-CA 3.23Å; M999-S1003 WeakPolarHBondContact O-CA 3.49Å; M999-S1003 PolarHBondContact O-N 3.37Å; M999-S1003 VanDerWaalsContact O-N 3.15Å; S1003-F1005 VanDerWaalsContact C-N 3.33Å; S1003-F1005 PolarHBondContact O-N 3.01Å
1004N79.1Confident85.1Confident136 Ų13641 Ų4173%0.72723%0.225SC*.THydrogen-bonded Turntrans-91.719.1-177.8-62.7-6.4000113.3Q1002 E1006Q1002-N1004 PolarHBondContact O-N 2.95Å; Q1002-N1004 VanDerWaalsContact O-N 3.13Å; N1004-E1006 VanDerWaalsContact C-N 3.27Å; N1004-E1006 PolarHBondContact O-N 3.1Å
1005F81.7Confident84.9Confident30 Ų3041.4 Ų41.413%0.13223%0.228CC..  trans-8171.2177.6-155.9-81000111.1V972 I973 F976 T998 Q1002 S1003 P1007 A1008 K1009V972-F1005 HydrophobicContact CG1-CD2 3.69Å; V972-F1005 HydrophobicContact CG1-CE2 3.97Å; V972-F1005 HydrophobicContact CG1-CG 4.31Å; I973-F1005 HydrophobicContact CD1-CE2 4.4Å; I973-F1005 HydrophobicContact CD1-CZ 4.05Å; F976-F1005 HydrophobicContact CB-CE1 4.12Å; F976-F1005 HydrophobicContact CB-CZ 4.28Å; F976-F1005 AromaticContact CD1-CE1 3.87Å; F976-F1005 HydrophobicContact CD1-CE1 3.87Å; F976-F1005 HydrophobicContact CD1-CZ 4Å; F976-F1005 HydrophobicContact CD2-CD1 4.32Å; F976-F1005 AromaticContact CD2-CE1 3.65Å; F976-F1005 HydrophobicContact CD2-CE1 3.65Å; F976-F1005 HydrophobicContact CE1-CE1 4.17Å; F976-F1005 HydrophobicContact CE1-CZ 4.49Å; F976-F1005 AromaticContact CE2-CE1 3.97Å; F976-F1005 HydrophobicContact CE2-CE1 3.97Å; F976-F1005 AromaticContact CG-CE1 3.59Å; F976-F1005 HydrophobicContact CG-CE1 3.59Å; F976-F1005 HydrophobicContact CG-CZ 4.01Å; F976-F1005 HydrophobicContact CZ-CE1 4.22Å; T998-F1005 HydrophobicContact CG2-CB 4.34Å; T998-F1005 HydrophobicContact CG2-CD1 3.85Å; T998-F1005 HydrophobicContact CG2-CE1 4.28Å; T998-F1005 HydrophobicContact CG2-CG 4Å; Q1002-F1005 HydrophobicContact CB-CB 4.26Å; Q1002-F1005 HydrophobicContact CG-CB 4.2Å; Q1002-F1005 HydrophobicContact CG-CD2 4.49Å; Q1002-F1005 VanDerWaalsContact O-CB 3.32Å; Q1002-F1005 WeakPolarHBondContact O-CB 3.46Å; Q1002-F1005 PolarHBondContact O-N 3.13Å; S1003-F1005 VanDerWaalsContact C-N 3.33Å; S1003-F1005 PolarHBondContact O-N 3.01Å; F1005-P1007 VanDerWaalsContact C-N 3.32Å; F1005-P1007 HydrophobicContact CD1-CB 4.32Å; F1005-P1007 HydrophobicContact CD1-CG 4.45Å; F1005-P1007 HydrophobicContact CE1-CB 4.01Å; F1005-P1007 HydrophobicContact CE1-CG 4.24Å; F1005-P1007 VanDerWaalsContact O-N 3.16Å; F1005-A1008 HydrophobicContact CD1-CB 3.66Å; F1005-A1008 HydrophobicContact CE1-CB 4.35Å; F1005-A1008 PolarHBondContact O-N 3.49Å; F1005-K1009 PolarHBondContact O-N 3.1Å
1006E83.7Confident84.5Confident80 Ų8044 Ų4437%0.37424%0.241SC..Hα-helixtrans-52.2-36.3-174.4-155.868.3-170.600114.6N1004 A1008 K1009 D1010N1004-E1006 VanDerWaalsContact C-N 3.27Å; N1004-E1006 PolarHBondContact O-N 3.1Å; E1006-A1008 VanDerWaalsContact C-N 3.26Å; E1006-A1008 PolarHBondContact O-N 3.19Å; E1006-K1009 WeakPolarHBondContact O-CB 3.33Å; E1006-K1009 PolarHBondContact O-N 3.12Å; E1006-K1009 VanDerWaalsContact O-N 3.14Å; E1006-K1009 IonicContact OE1-NZ 2.62Å; E1006-K1009 PolarHBondContact OE1-NZ 2.6Å; E1006-K1009 IonicContact OE2-NZ 2.7Å; E1006-K1009 PolarHBondContact OE2-NZ 3.09Å; E1006-K1009 VanDerWaalsContact OE2-NZ 3.17Å; E1006-D1010 PolarHBondContact O-N 2.99Å
1007P85.1Confident84.1Confident68 Ų6843.1 Ų43.144%0.44224%0.235SC..Hα-helixtrans-60.4-29.7176.6-25.435.3000114.9F976 F1005 R1011F976-P1007 HydrophobicContact CE2-CB 4.16Å; F976-P1007 HydrophobicContact CZ-CB 3.89Å; F1005-P1007 VanDerWaalsContact C-N 3.32Å; F1005-P1007 HydrophobicContact CD1-CB 4.32Å; F1005-P1007 HydrophobicContact CD1-CG 4.45Å; F1005-P1007 HydrophobicContact CE1-CB 4.01Å; F1005-P1007 HydrophobicContact CE1-CG 4.24Å; F1005-P1007 VanDerWaalsContact O-N 3.16Å; P1007-R1011 WeakPolarHBondContact O-CB 3.48Å; P1007-R1011 WeakPolarHBondContact O-CG 3.49Å; P1007-R1011 PolarHBondContact O-N 3.44Å
1008A85.7Confident83.5Confident0 Ų044.4 Ų44.40%024%0.243CC..Hα-helixtrans-74.6-41.9175.500000111F976 Y995 T998 M999 F1005 E1006 A1012F976-A1008 HydrophobicContact CD2-CB 3.92Å; F976-A1008 HydrophobicContact CE2-CB 4.21Å; Y995-A1008 HydrophobicContact CD1-CB 3.95Å; T998-A1008 HydrophobicContact CG2-CB 3.74Å; M999-A1008 HydrophobicContact CG-CB 4.27Å; F1005-A1008 HydrophobicContact CD1-CB 3.66Å; F1005-A1008 HydrophobicContact CE1-CB 4.35Å; F1005-A1008 PolarHBondContact O-N 3.49Å; E1006-A1008 VanDerWaalsContact C-N 3.26Å; E1006-A1008 PolarHBondContact O-N 3.19Å; A1008-A1012 WeakPolarHBondContact O-CB 3.42Å; A1008-A1012 PolarHBondContact O-N 2.91Å
1009K84.3Confident82.3Confident75 Ų7546.4 Ų46.433%0.32626%0.264SS..Hα-helixtrans-63.1-47.5176.2-178.1178.7160.4-144.80111.6M999 F1005 E1006 R1011 A1012 L1013M999-K1009 HydrophobicContact SD-CB 3.73Å; M999-K1009 HydrophobicContact SD-CG 4.25Å; F1005-K1009 PolarHBondContact O-N 3.1Å; E1006-K1009 WeakPolarHBondContact O-CB 3.33Å; E1006-K1009 PolarHBondContact O-N 3.12Å; E1006-K1009 VanDerWaalsContact O-N 3.14Å; E1006-K1009 IonicContact OE1-NZ 2.62Å; E1006-K1009 PolarHBondContact OE1-NZ 2.6Å; E1006-K1009 IonicContact OE2-NZ 2.7Å; E1006-K1009 PolarHBondContact OE2-NZ 3.09Å; E1006-K1009 VanDerWaalsContact OE2-NZ 3.17Å; K1009-R1011 PolarHBondContact O-N 3.03Å; K1009-A1012 PolarHBondContact O-N 3.17Å; K1009-L1013 HydrophobicContact CG-CD1 4.06Å; K1009-L1013 WeakPolarHBondContact O-CB 3.49Å; K1009-L1013 VanDerWaalsContact O-CG 3.24Å; K1009-L1013 WeakPolarHBondContact O-CG 3.45Å; K1009-L1013 PolarHBondContact O-N 3.36Å
1010D83.7Confident80.7Confident50 Ų5048.3 Ų48.327%0.26728%0.28SS..Hα-helixtrans-63-41.7178.3-85.5-10.7000112.4R791 V795 E1006 A1014R791-D1010 IonicContact CZ-OD1 2.7Å; R791-D1010 IonicContact NH1-OD1 3.78Å; R791-D1010 PolarHBondContact NH1-OD1 3.24Å; V795-D1010 HydrophobicContact CG2-CB 4.24Å; E1006-D1010 PolarHBondContact O-N 2.99Å; D1010-A1014 VanDerWaalsContact O-CB 3.3Å; D1010-A1014 WeakPolarHBondContact O-CB 3.38Å; D1010-A1014 PolarHBondContact O-N 3.26Å
1011R87.7Confident79Confident20 Ų2047.5 Ų47.58%0.07528%0.284CS..Hα-helixtrans-74-36.1177.1-70.8-17873.783.3-6.5113.1V795 D796 L797 N980 Y995 P1007 K1009 A1014 L1015V795-R1011 HydrophobicContact CG1-CG 3.81Å; D796-R1011 PolarHBondContact O-NH1 2.8Å; L797-R1011 HydrophobicContact CD2-CB 4.38Å; L797-R1011 HydrophobicContact CD2-CG 4.49Å; L797-R1011 PolarHBondContact O-NH2 3.33Å; L797-R1011 VanDerWaalsContact O-NH2 3.14Å; N980-R1011 WeakPolarHBondContact OD1-CD 3.46Å; N980-R1011 PolarHBondContact OD1-NE 3.21Å; Y995-R1011 HydrophobicContact CE1-CB 3.83Å; P1007-R1011 WeakPolarHBondContact O-CB 3.48Å; P1007-R1011 WeakPolarHBondContact O-CG 3.49Å; P1007-R1011 PolarHBondContact O-N 3.44Å; K1009-R1011 PolarHBondContact O-N 3.03Å; R1011-A1014 PolarHBondContact O-N 2.71Å; R1011-L1015 WeakPolarHBondContact O-CB 3.45Å; R1011-L1015 PolarHBondContact O-N 2.93Å
1012A86.9Confident76.7Confident0 Ų051.2 Ų51.20%029%0.294CS..Hα-helixtrans-62.8-46.5172.600000111.8M777 L992 Y995 M999 A1008 K1009 L1015 L1016M777-A1012 HydrophobicContact CE-CB 4.04Å; M777-A1012 HydrophobicContact SD-CB 4.01Å; L992-A1012 HydrophobicContact CD2-CB 4.18Å; Y995-A1012 HydrophobicContact CD2-CB 3.93Å; Y995-A1012 HydrophobicContact CG-CB 3.91Å; M999-A1012 HydrophobicContact CE-CB 4.36Å; A1008-A1012 WeakPolarHBondContact O-CB 3.42Å; A1008-A1012 PolarHBondContact O-N 2.91Å; K1009-A1012 PolarHBondContact O-N 3.17Å; A1012-L1015 PolarHBondContact O-N 3.24Å; A1012-L1016 WeakPolarHBondContact O-CG 3.2Å; A1012-L1016 PolarHBondContact O-N 2.72Å
1013L82.3Confident74.3Confident20 Ų2052.3 Ų52.311%0.10531%0.311CS..Hα-helixtrans-62.4-44.3175-70.5171.3000111.4M777 V779 K1009 L1015 L1016 C1017M777-L1013 HydrophobicContact CE-CD2 4.41Å; M777-L1013 HydrophobicContact CE-CG 4.42Å; V779-L1013 HydrophobicContact CG2-CD2 3.74Å; K1009-L1013 HydrophobicContact CG-CD1 4.06Å; K1009-L1013 WeakPolarHBondContact O-CB 3.49Å; K1009-L1013 VanDerWaalsContact O-CG 3.24Å; K1009-L1013 WeakPolarHBondContact O-CG 3.45Å; K1009-L1013 PolarHBondContact O-N 3.36Å; L1013-L1015 VanDerWaalsContact C-N 3.31Å; L1013-L1015 PolarHBondContact O-N 3.2Å; L1013-L1016 PolarHBondContact O-N 3.47Å; L1013-C1017 WeakPolarHBondContact O-CB 3.31Å; L1013-C1017 PolarHBondContact O-N 3.05Å; L1013-C1017 PolarHBondContact O-SG 3.33Å
1014A83Confident71.9Confident0 Ų054.9 Ų54.90%034%0.337CS..Hα-helixtrans-60.3-39.3174.800000112.4V795 L797 D1010 R1011 C1017 T1018V795-A1014 HydrophobicContact CB-CB 3.82Å; V795-A1014 HydrophobicContact CG1-CB 3.69Å; V795-A1014 HydrophobicContact CG2-CB 4.4Å; L797-A1014 HydrophobicContact CD1-CB 4.33Å; L797-A1014 HydrophobicContact CD2-CB 4.16Å; L797-A1014 HydrophobicContact CG-CB 4.29Å; D1010-A1014 VanDerWaalsContact O-CB 3.3Å; D1010-A1014 WeakPolarHBondContact O-CB 3.38Å; D1010-A1014 PolarHBondContact O-N 3.26Å; R1011-A1014 PolarHBondContact O-N 2.71Å; A1014-C1017 WeakPolarHBondContact O-CB 3.39Å; A1014-C1017 PolarHBondContact O-N 3.21Å; A1014-T1018 WeakPolarHBondContact O-CG2 3.29Å; A1014-T1018 PolarHBondContact O-N 3.27Å
1015L84.8Confident71.6Confident12 Ų1250.8 Ų50.86%0.06332%0.318CS..Hα-helixtrans-65.3-47.7178-167.364.6000111.4L797 A983 T988 A991 L992 Y995 R1011 A1012 L1013 C1017 T1018 G1019L797-L1015 HydrophobicContact CD1-CB 4.44Å; L797-L1015 HydrophobicContact CD1-CD1 4.02Å; A983-L1015 HydrophobicContact CB-CD1 4.46Å; A983-L1015 HydrophobicContact CB-CD2 4.32Å; T988-L1015 HydrophobicContact CG2-CD1 4.09Å; T988-L1015 HydrophobicContact CG2-CD2 4.38Å; T988-L1015 HydrophobicContact CG2-CG 4.2Å; A991-L1015 HydrophobicContact CB-CD2 3.66Å; L992-L1015 HydrophobicContact CD2-CD2 4.29Å; L992-L1015 HydrophobicContact CG-CD2 4.21Å; Y995-L1015 HydrophobicContact CE2-CD2 4.2Å; R1011-L1015 WeakPolarHBondContact O-CB 3.45Å; R1011-L1015 PolarHBondContact O-N 2.93Å; A1012-L1015 PolarHBondContact O-N 3.24Å; L1013-L1015 VanDerWaalsContact C-N 3.31Å; L1013-L1015 PolarHBondContact O-N 3.2Å; L1015-C1017 VanDerWaalsContact C-N 3.31Å; L1015-C1017 PolarHBondContact O-N 2.94Å; L1015-T1018 PolarHBondContact O-N 2.68Å; L1015-T1018 PolarHBondContact O-OG1 2.83Å; L1015-G1019 PolarHBondContact O-N 2.78Å
1016L82.2Confident71Confident55 Ų5551.9 Ų51.929%0.28833%0.328SS..Hα-helixtrans-55.7-44.8173.2-71.3168.3000111.5M777 V779 L992 A1012 L1013 T1018 G1019 S1020M777-L1016 HydrophobicContact SD-CD1 4.35Å; V779-L1016 HydrophobicContact CG2-CD1 3.86Å; L992-L1016 HydrophobicContact CD1-CD2 3.66Å; L992-L1016 HydrophobicContact CD1-CG 4.33Å; L992-L1016 HydrophobicContact CD2-CD1 4.39Å; L992-L1016 HydrophobicContact CD2-CD2 4.16Å; L992-L1016 HydrophobicContact CD2-CG 3.93Å; A1012-L1016 WeakPolarHBondContact O-CG 3.2Å; A1012-L1016 PolarHBondContact O-N 2.72Å; L1013-L1016 PolarHBondContact O-N 3.47Å; L1016-T1018 PolarHBondContact O-N 3.08Å; L1016-G1019 WeakPolarHBondContact O-CA 3.35Å; L1016-G1019 PolarHBondContact O-N 2.82Å; L1016-S1020 PolarHBondContact O-N 3.14Å; L1016-S1020 VanDerWaalsContact O-N 3.14Å; L1016-S1020 PolarHBondContact O-OG 2.91Å
1017C79.9Confident70.3Confident14 Ų1450.3 Ų50.310%0.09533%0.325CS..Hα-helixtrans-58.9-30.1175.8-72.30000114C788 L792 L1013 A1014 L1015 G1019C788-C1017 WeakPolarHBondContact CA-SG 3.47Å; C788-C1017 HydrophobicContact CB-CB 3.51Å; C788-C1017 WeakPolarHBondContact CB-SG 3.29Å; C788-C1017 WeakPolarHBondContact SG-CA 3.43Å; C788-C1017 WeakPolarHBondContact SG-CB 3.5Å; C788-C1017 CovalentContact SG-SG 2.03Å; C788-C1017 PolarHBondContact SG-SG 3.45Å; L792-C1017 HydrophobicContact CD1-CB 4.17Å; L792-C1017 HydrophobicContact CD2-CB 4.23Å; L792-C1017 HydrophobicContact CG-CB 4.14Å; L1013-C1017 WeakPolarHBondContact O-CB 3.31Å; L1013-C1017 PolarHBondContact O-N 3.05Å; L1013-C1017 PolarHBondContact O-SG 3.33Å; A1014-C1017 WeakPolarHBondContact O-CB 3.39Å; A1014-C1017 PolarHBondContact O-N 3.21Å; L1015-C1017 VanDerWaalsContact C-N 3.31Å; L1015-C1017 PolarHBondContact O-N 2.94Å; C1017-G1019 VanDerWaalsContact C-N 3.34Å
1018T76Confident69.5Low27 Ų2749.3 Ų49.317%0.16632%0.318CS..Hα-helixtrans-78.4-16.5173.4700000114.1L792 L797 A1014 L1015 L1016L792-T1018 HydrophobicContact CD2-CG2 3.62Å; L797-T1018 HydrophobicContact CD1-CG2 3.94Å; A1014-T1018 WeakPolarHBondContact O-CG2 3.29Å; A1014-T1018 PolarHBondContact O-N 3.27Å; L1015-T1018 PolarHBondContact O-N 2.68Å; L1015-T1018 PolarHBondContact O-OG1 2.83Å; L1016-T1018 PolarHBondContact O-N 3.08Å
1019G64.2Low68.5Low43 Ų4352.4 Ų52.444%0.44334%0.338SS..Hα-helixtrans-81.1-48.5173.700000112.2L1015 L1016 C1017 G1021 R1022L1015-G1019 PolarHBondContact O-N 2.78Å; L1016-G1019 WeakPolarHBondContact O-CA 3.35Å; L1016-G1019 PolarHBondContact O-N 2.82Å; C1017-G1019 VanDerWaalsContact C-N 3.34Å; G1019-G1021 PolarHBondContact O-N 3.49Å; G1019-R1022 PolarHBondContact O-N 3.02Å; G1019-R1022 VanDerWaalsContact O-N 3.13Å
1020S53.4Low67.4Low73 Ų7350.9 Ų50.951%0.5134%0.339SS..Hα-helixtrans-62.3-24.2-179.2-54.50000113.9L1016 R1022 S1023L1016-S1020 PolarHBondContact O-N 3.14Å; L1016-S1020 VanDerWaalsContact O-N 3.14Å; L1016-S1020 PolarHBondContact O-OG 2.91Å; S1020-R1022 PolarHBondContact O-N 2.77Å; S1020-S1023 PolarHBondContact O-N 3.43Å; S1020-S1023 PolarHBondContact O-OG 3.32Å
1021G47.1Very low66.2Low57 Ų5750.9 Ų50.959%0.58834%0.344SS*.THydrogen-bonded Turntrans-72.12.9175.100000115.8G1019G1019-G1021 PolarHBondContact O-N 3.49Å
1022R38.1Very low64.6Low137 Ų13753.3 Ų53.352%0.51737%0.365SS..THydrogen-bonded Turntrans-107.2-5.7174.4-70-173.5178.3145.86.3114.4D748 G1019 S1020D748-R1022 VanDerWaalsContact CG-NH2 3.33Å; D748-R1022 IonicContact OD2-CZ 2.79Å; D748-R1022 IonicContact OD2-NE 2.69Å; D748-R1022 PolarHBondContact OD2-NE 3.04Å; D748-R1022 VanDerWaalsContact OD2-NE 3.07Å; D748-R1022 IonicContact OD2-NH2 3.46Å; D748-R1022 PolarHBondContact OD2-NH2 3.24Å; G1019-R1022 PolarHBondContact O-N 3.02Å; G1019-R1022 VanDerWaalsContact O-N 3.13Å; S1020-R1022 PolarHBondContact O-N 2.77Å
1023S33Very low62.7Low110 Ų11057.8 Ų57.877%0.76940%0.395SS*.  trans-110.921.5178.366.20000112.8S1020S1020-S1023 PolarHBondContact O-N 3.43Å; S1020-S1023 PolarHBondContact O-OG 3.32Å
1024A28.7Very low60.9Low145 Ų14561.2 Ų61.2100%1.19842%0.422SS*.  trans-134.70172.900000108.5

Retrieved 1,024 of 1,024 residues in 307.4 ms (Link to these results)

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