A0A077ZA40_TRITR Loading...

Mediator of RNA polymerase II transcription subunit 24

AlphaFold DB , UniProt , Accession A0A077ZA40, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 714 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
1M40.8Very low63.9Low89 Ų8913.1 Ų13.144%0.4387%0.068SC..  01260-157.4-167.189.900105.8S3 D41M1-S3 PolarHBondContact O-N 3.23Å; M1-D41 HydrophobicContact CE-CB 3.47Å; M1-D41 VanDerWaalsContact CE-CB 3.47Å; M1-D41 WeakPolarHBondContact CE-OD2 3.49Å
2V53.3Low63.4Low6 Ų612.4 Ų12.44%0.0366%0.064CC..  trans-78.3118.9-176.4178.80000108.3I4 V483 D525 I526 A529V2-I4 PolarHBondContact O-N 3.26Å; V2-V483 HydrophobicContact CG1-CB 4.38Å; V2-V483 HydrophobicContact CG1-CG2 3.2Å; V2-D525 HydrophobicContact CB-CB 4.09Å; V2-D525 HydrophobicContact CG2-CB 3.74Å; V2-I526 HydrophobicContact CB-CG1 4.46Å; V2-I526 HydrophobicContact CG1-CG1 4.4Å; V2-I526 HydrophobicContact CG2-CB 4.29Å; V2-I526 HydrophobicContact CG2-CD1 4.36Å; V2-I526 HydrophobicContact CG2-CG1 3.31Å; V2-A529 HydrophobicContact CG1-CB 4.01Å
3S62.4Low62.7Low11 Ų1113.2 Ų13.28%0.0777%0.068CC..  trans-74118174.3-176.80000109.6M1 S5 I6 D41 G45M1-S3 PolarHBondContact O-N 3.23Å; S3-S5 PolarHBondContact O-N 3.05Å; S3-S5 VanDerWaalsContact O-N 3.11Å; S3-S5 WeakPolarHBondContact OG-CB 3.26Å; S3-S5 PolarHBondContact OG-N 3.05Å; S3-I6 PolarHBondContact O-N 3.39Å; S3-I6 VanDerWaalsContact O-N 3.15Å; S3-D41 WeakPolarHBondContact CB-O 3.33Å; S3-D41 PolarHBondContact OG-O 3.21Å; S3-G45 WeakPolarHBondContact OG-CA 3.4Å
4I68.3Low62.2Low22 Ų2212.9 Ų12.911%0.1137%0.066CC..Hα-helixtrans-61.7-18173.4-55.5153.6000110.5V2 I6 V7 F8 C27 A529V2-I4 PolarHBondContact O-N 3.26Å; I4-I6 PolarHBondContact O-N 2.96Å; I4-V7 PolarHBondContact O-N 3.23Å; I4-F8 HydrophobicContact CB-CD2 4.32Å; I4-F8 HydrophobicContact CB-CE2 4Å; I4-F8 HydrophobicContact CB-CZ 4.34Å; I4-F8 HydrophobicContact CG2-CD1 3.91Å; I4-F8 HydrophobicContact CG2-CD2 3.65Å; I4-F8 HydrophobicContact CG2-CE1 3.51Å; I4-F8 HydrophobicContact CG2-CE2 3.22Å; I4-F8 HydrophobicContact CG2-CG 3.97Å; I4-F8 HydrophobicContact CG2-CZ 3.16Å; I4-F8 WeakPolarHBondContact O-CG 3.43Å; I4-F8 PolarHBondContact O-N 3.31Å; I4-C27 HydrophobicContact CD1-CB 3.52Å; I4-C27 WeakPolarHBondContact CD1-SG 3.49Å; I4-A529 HydrophobicContact CG1-CB 4.47Å
5S67.6Low62.2Low0 Ų015 Ų150%08%0.08CC..Hα-helixtrans-57.8-32.3173.6-75.20000113.8S3 F8 A9 L42S3-S5 PolarHBondContact O-N 3.05Å; S3-S5 VanDerWaalsContact O-N 3.11Å; S3-S5 WeakPolarHBondContact OG-CB 3.26Å; S3-S5 PolarHBondContact OG-N 3.05Å; S5-F8 PolarHBondContact O-N 3.13Å; S5-A9 WeakPolarHBondContact O-CB 3.48Å; S5-A9 PolarHBondContact O-N 2.94Å; S5-L42 WeakPolarHBondContact OG-CA 3.28Å; S5-L42 WeakPolarHBondContact OG-CD2 3.45Å; S5-L42 PolarHBondContact OG-O 3.01Å
6I70.7Confident63.1Low5 Ų515.3 Ų15.33%0.0269%0.088CC..Hα-helixtrans-69.5-41.6176.9-60.2173.7000109.7S3 I4 A9 N10 L49 C482S3-I6 PolarHBondContact O-N 3.39Å; S3-I6 VanDerWaalsContact O-N 3.15Å; I4-I6 PolarHBondContact O-N 2.96Å; I6-A9 PolarHBondContact O-N 3.29Å; I6-N10 PolarHBondContact O-N 3.25Å; I6-N10 VanDerWaalsContact O-N 3.12Å; I6-N10 PolarHBondContact O-ND2 3.27Å; I6-L49 HydrophobicContact CG2-CD1 4.4Å; I6-C482 HydrophobicContact CD1-CB 4.42Å
7V69.9Low64.5Low0 Ų015.6 Ų15.60%09%0.089CC..Hα-helixtrans-61.5-52.3173.7179.40000109.6I4 A9 N10 T11 V483 V488 A529 V533I4-V7 PolarHBondContact O-N 3.23Å; V7-A9 VanDerWaalsContact C-N 3.27Å; V7-A9 PolarHBondContact O-N 3.41Å; V7-N10 CarbonylContact O-C 3.59Å; V7-N10 PolarHBondContact O-N 2.97Å; V7-T11 HydrophobicContact CG1-CG2 3.98Å; V7-T11 WeakPolarHBondContact O-CG2 3.43Å; V7-T11 PolarHBondContact O-N 3.07Å; V7-T11 PolarHBondContact O-OG1 3.22Å; V7-V483 HydrophobicContact CG2-CG2 4.4Å; V7-V488 HydrophobicContact CG1-CG1 4.29Å; V7-V488 HydrophobicContact CG2-CG2 4.11Å; V7-A529 WeakPolarHBondContact CG1-O 3.33Å; V7-A529 HydrophobicContact CG2-CB 3.93Å; V7-V533 HydrophobicContact CG1-CG2 4.12Å
8F72.9Confident65.6Low4 Ų419.2 Ų19.22%0.01811%0.108CC..Hα-helixtrans-61.1-34.1-179.9-65.6-28.2000114I4 S5 T11 Q12 M20 A23 V24 F65 F532I4-F8 HydrophobicContact CB-CD2 4.32Å; I4-F8 HydrophobicContact CB-CE2 4Å; I4-F8 HydrophobicContact CB-CZ 4.34Å; I4-F8 HydrophobicContact CG2-CD1 3.91Å; I4-F8 HydrophobicContact CG2-CD2 3.65Å; I4-F8 HydrophobicContact CG2-CE1 3.51Å; I4-F8 HydrophobicContact CG2-CE2 3.22Å; I4-F8 HydrophobicContact CG2-CG 3.97Å; I4-F8 HydrophobicContact CG2-CZ 3.16Å; I4-F8 WeakPolarHBondContact O-CG 3.43Å; I4-F8 PolarHBondContact O-N 3.31Å; S5-F8 PolarHBondContact O-N 3.13Å; F8-T11 VanDerWaalsContact CA-OG1 3.27Å; F8-T11 WeakPolarHBondContact CA-OG1 3.37Å; F8-T11 CarbonylContact O-C 3.57Å; F8-T11 PolarHBondContact O-N 3.37Å; F8-T11 PolarHBondContact O-OG1 2.98Å; F8-Q12 WeakPolarHBondContact O-CG 3.45Å; F8-Q12 PolarHBondContact O-N 3.35Å; F8-M20 HydrophobicContact CB-CE 3.54Å; F8-M20 HydrophobicContact CB-CG 4.17Å; F8-M20 HydrophobicContact CB-SD 3.91Å; F8-M20 HydrophobicContact CD1-CG 4.35Å; F8-M20 HydrophobicContact CD2-CE 3.63Å; F8-M20 HydrophobicContact CD2-CG 3.89Å; F8-M20 HydrophobicContact CD2-SD 4.43Å; F8-M20 HydrophobicContact CE2-CG 4.32Å; F8-M20 HydrophobicContact CG-CE 3.91Å; F8-M20 HydrophobicContact CG-CG 3.9Å; F8-M20 HydrophobicContact CG-SD 4.29Å; F8-A23 HydrophobicContact CE1-CB 3.61Å; F8-A23 HydrophobicContact CZ-CB 3.48Å; F8-A23 VanDerWaalsContact CZ-CB 3.48Å; F8-V24 HydrophobicContact CD2-CG2 4.21Å; F8-V24 HydrophobicContact CE2-CG2 3.45Å; F8-V24 VanDerWaalsContact CE2-CG2 3.45Å; F8-V24 HydrophobicContact CZ-CG2 4.21Å; F8-F65 HydrophobicContact CB-CE2 4.45Å; F8-F65 HydrophobicContact CB-CZ 4.38Å; F8-F532 HydrophobicContact CE1-CB 4.3Å
9A68.1Low66.4Low1 Ų121.5 Ų21.51%0.00812%0.119CC..Hα-helixtrans-66.6-40174.400000111.9S5 I6 V7 Q12 L49 F65S5-A9 WeakPolarHBondContact O-CB 3.48Å; S5-A9 PolarHBondContact O-N 2.94Å; I6-A9 PolarHBondContact O-N 3.29Å; V7-A9 VanDerWaalsContact C-N 3.27Å; V7-A9 PolarHBondContact O-N 3.41Å; A9-Q12 VanDerWaalsContact O-CB 3.3Å; A9-Q12 WeakPolarHBondContact O-CB 3.39Å; A9-Q12 VanDerWaalsContact O-CG 3.29Å; A9-Q12 WeakPolarHBondContact O-CG 3.42Å; A9-Q12 PolarHBondContact O-N 3.04Å; A9-Q12 PolarHBondContact O-NE2 3.02Å; A9-L49 HydrophobicContact CB-CD1 4.04Å; A9-L49 HydrophobicContact CB-CD2 3.25Å; A9-L49 HydrophobicContact CB-CG 4.25Å; A9-F65 HydrophobicContact CB-CB 4.41Å; A9-F65 HydrophobicContact CB-CD1 3.83Å; A9-F65 HydrophobicContact CB-CD2 4Å; A9-F65 HydrophobicContact CB-CE1 4.03Å; A9-F65 HydrophobicContact CB-CE2 4.17Å; A9-F65 HydrophobicContact CB-CG 3.8Å; A9-F65 HydrophobicContact CB-CZ 4.18Å
10N66.3Low67.3Low3 Ų320.5 Ų20.52%0.01611%0.114CC..Hα-helixtrans-76-31.1176.9-76.4-94.7000111.6I6 V7 Q12 L57 S485 V488 S489 I492I6-N10 PolarHBondContact O-N 3.25Å; I6-N10 VanDerWaalsContact O-N 3.12Å; I6-N10 PolarHBondContact O-ND2 3.27Å; V7-N10 CarbonylContact O-C 3.59Å; V7-N10 PolarHBondContact O-N 2.97Å; N10-Q12 VanDerWaalsContact C-N 3.28Å; N10-Q12 PolarHBondContact O-N 3.48Å; N10-L57 VanDerWaalsContact OD1-CD1 3.29Å; N10-L57 WeakPolarHBondContact OD1-CD1 3.25Å; N10-S485 PolarHBondContact ND2-OG 3.19Å; N10-S485 PolarHBondContact OD1-O 3.1Å; N10-S485 PolarHBondContact OD1-OG 3.18Å; N10-V488 HydrophobicContact CB-CB 3.83Å; N10-V488 HydrophobicContact CB-CG1 3.49Å; N10-V488 VanDerWaalsContact CB-CG1 3.49Å; N10-S489 PolarHBondContact OD1-OG 2.88Å; N10-S489 VanDerWaalsContact OD1-OG 3.12Å; N10-I492 HydrophobicContact CB-CD1 3.97Å; N10-I492 WeakPolarHBondContact O-CD1 3.21Å
11T62.6Low68.3Low3 Ų319.8 Ų19.82%0.01811%0.11CC..G310 helixtrans-86.39.7172.870.40000112.7V7 F8 H13 M14 T15 I492 V533V7-T11 HydrophobicContact CG1-CG2 3.98Å; V7-T11 WeakPolarHBondContact O-CG2 3.43Å; V7-T11 PolarHBondContact O-N 3.07Å; V7-T11 PolarHBondContact O-OG1 3.22Å; F8-T11 VanDerWaalsContact CA-OG1 3.27Å; F8-T11 WeakPolarHBondContact CA-OG1 3.37Å; F8-T11 CarbonylContact O-C 3.57Å; F8-T11 PolarHBondContact O-N 3.37Å; F8-T11 PolarHBondContact O-OG1 2.98Å; T11-H13 PolarHBondContact O-N 2.98Å; T11-M14 HydrophobicContact CG2-SD 4.15Å; T11-M14 WeakPolarHBondContact O-CA 3.4Å; T11-M14 WeakPolarHBondContact O-CB 3.39Å; T11-M14 PolarHBondContact O-N 3.39Å; T11-T15 PolarHBondContact O-N 3.22Å; T11-I492 HydrophobicContact CG2-CD1 3.99Å; T11-I492 HydrophobicContact CG2-CG1 4.34Å; T11-V533 HydrophobicContact CG2-CB 4.49Å; T11-V533 HydrophobicContact CG2-CG2 4.1Å
12Q58.3Low70.4Confident5 Ų522 Ų222%0.02311%0.113CC..G310 helixtrans-54-25.6173.9-8817691.300112.4F8 A9 N10 F65F8-Q12 WeakPolarHBondContact O-CG 3.45Å; F8-Q12 PolarHBondContact O-N 3.35Å; A9-Q12 VanDerWaalsContact O-CB 3.3Å; A9-Q12 WeakPolarHBondContact O-CB 3.39Å; A9-Q12 VanDerWaalsContact O-CG 3.29Å; A9-Q12 WeakPolarHBondContact O-CG 3.42Å; A9-Q12 PolarHBondContact O-N 3.04Å; A9-Q12 PolarHBondContact O-NE2 3.02Å; N10-Q12 VanDerWaalsContact C-N 3.28Å; N10-Q12 PolarHBondContact O-N 3.48Å; Q12-F65 HydrophobicContact CG-CD2 3.64Å; Q12-F65 HydrophobicContact CG-CE2 4.2Å; Q12-F65 VanDerWaalsContact NE2-CB 3.28Å
13H54.4Low71.9Confident23 Ų2322 Ų2211%0.10611%0.114CC..G310 helixtrans-82.2-7.9179-49.3-39.9000112.5T11 S206 H253 F257T11-H13 PolarHBondContact O-N 2.98Å; H13-S206 PolarHBondContact ND1-OG 3.27Å; H13-H253 HydrophobicContact CB-CB 4.38Å; H13-H253 AromaticContact CD2-ND1 3.48Å; H13-H253 PolarHBondContact CD2-ND1 2.84Å; H13-H253 AromaticContact CE1-CE1 3.1Å; H13-H253 PolarHBondContact CE1-CE1 2.98Å; H13-H253 AromaticContact CE1-ND1 3Å; H13-H253 PolarHBondContact CE1-ND1 3.23Å; H13-H253 AromaticContact CG-ND1 3.14Å; H13-H253 AromaticContact ND1-CE1 3.37Å; H13-H253 PolarHBondContact ND1-CE1 2.91Å; H13-H253 AromaticContact ND1-CG 3.93Å; H13-H253 AromaticContact ND1-ND1 2.82Å; H13-H253 PolarHBondContact ND1-ND1 3.24Å; H13-H253 AromaticContact NE2-CE1 3.6Å; H13-H253 AromaticContact NE2-ND1 3.36Å; H13-H253 PolarHBondContact NE2-ND1 3.48Å; H13-F257 WeakPolarHBondContact O-CD2 3.44Å
14M55.3Low73Confident8 Ų821.6 Ų21.64%0.03911%0.112CC..THydrogen-bonded Turntrans-111.3-26-169.9-57.4-169.7146.600115.5T11 F257 I492 E496 V533T11-M14 HydrophobicContact CG2-SD 4.15Å; T11-M14 WeakPolarHBondContact O-CA 3.4Å; T11-M14 WeakPolarHBondContact O-CB 3.39Å; T11-M14 PolarHBondContact O-N 3.39Å; M14-F257 VanDerWaalsContact CA-CD2 3.42Å; M14-F257 HydrophobicContact CB-CD2 4.09Å; M14-F257 HydrophobicContact CB-CE1 4.27Å; M14-F257 HydrophobicContact CB-CE2 3.4Å; M14-F257 HydrophobicContact CB-CZ 3.46Å; M14-F257 VanDerWaalsContact CB-CZ 3.46Å; M14-F257 HydrophobicContact CE-CE2 4.42Å; M14-F257 HydrophobicContact CG-CD2 4.24Å; M14-F257 HydrophobicContact CG-CE2 3.46Å; M14-F257 VanDerWaalsContact CG-CE2 3.46Å; M14-F257 HydrophobicContact CG-CZ 3.94Å; M14-F257 WeakPolarHBondContact O-CD1 3.46Å; M14-F257 WeakPolarHBondContact O-CE1 3.12Å; M14-F257 WeakPolarHBondContact O-CZ 3.47Å; M14-F257 HydrophobicContact SD-CE2 4.4Å; M14-I492 HydrophobicContact CE-CB 3.92Å; M14-I492 HydrophobicContact CE-CG1 3.82Å; M14-I492 HydrophobicContact CE-CG2 3.28Å; M14-I492 HydrophobicContact SD-CD1 4.38Å; M14-I492 HydrophobicContact SD-CG1 3.95Å; M14-I492 HydrophobicContact SD-CG2 4.43Å; M14-E496 VanDerWaalsContact CE-CD 3.47Å; M14-E496 HydrophobicContact CE-CG 3.65Å; M14-E496 WeakPolarHBondContact CE-OE1 3.36Å; M14-V533 HydrophobicContact SD-CG1 4.2Å
15T62.5Low73.9Confident45 Ų4522.1 Ų22.128%0.27611%0.114SC..  trans-136.6149.7-171.750.80000111.4T11 D19 R69T11-T15 PolarHBondContact O-N 3.22Å; T15-D19 HydrophobicContact CG2-CB 4.02Å; T15-R69 PolarHBondContact O-NH2 3.4Å
16G76.8Confident74.6Confident20 Ų2022.5 Ų22.521%0.20612%0.117CC..  trans-67.6166.1171.400000111.7D18 D19 M20 R69 D209G16-D18 PolarHBondContact O-N 3.5Å; G16-D19 PolarHBondContact O-N 3.16Å; G16-M20 PolarHBondContact O-N 2.69Å; G16-R69 PolarHBondContact O-NH2 3.5Å; G16-R69 VanDerWaalsContact O-NH2 3.11Å; G16-D209 WeakPolarHBondContact CA-OD1 3.15Å
17I86.1Confident75.2Confident20 Ų2022.5 Ų22.510%0.10312%0.117CC..Hα-helixtrans-53.4-38.5172.4-70.6166.3000108.9M20 V21 R72 V73 D209I17-M20 PolarHBondContact O-N 2.96Å; I17-V21 HydrophobicContact CG2-CG2 4.35Å; I17-V21 VanDerWaalsContact O-CG2 3.27Å; I17-V21 WeakPolarHBondContact O-CG2 3.2Å; I17-V21 PolarHBondContact O-N 3.26Å; I17-R72 HydrophobicContact CD1-CB 3.95Å; I17-V73 HydrophobicContact CG2-CG2 4.06Å; I17-D209 WeakPolarHBondContact CB-OD2 3.18Å; I17-D209 VanDerWaalsContact CG1-OD2 3.23Å; I17-D209 WeakPolarHBondContact CG1-OD2 3.32Å; I17-D209 PolarHBondContact N-OD1 2.88Å; I17-D209 PolarHBondContact N-OD2 3.45Å
18D85.2Confident75.9Confident81 Ų8125 Ų2543%0.43313%0.128SC..Hα-helixtrans-63.9-44-178.6-71.919.6000113.3G16 M20 V21 R22 K76G16-D18 PolarHBondContact O-N 3.5Å; D18-M20 VanDerWaalsContact C-N 3.35Å; D18-V21 PolarHBondContact O-N 3.47Å; D18-R22 WeakPolarHBondContact O-CB 2.99Å; D18-R22 PolarHBondContact O-N 3.18Å; D18-K76 IonicContact OD1-NZ 2.7Å; D18-K76 PolarHBondContact OD1-NZ 2.91Å; D18-K76 IonicContact OD2-NZ 3.66Å; D18-K76 PolarHBondContact OD2-NZ 3.49Å
19D80.5Confident76.4Confident62 Ų6228.5 Ų28.533%0.33214%0.144SC..Hα-helixtrans-70-36.3177.8-70.3-34.9000110.8T15 G16 R22 A23T15-D19 HydrophobicContact CG2-CB 4.02Å; G16-D19 PolarHBondContact O-N 3.16Å; D19-R22 PolarHBondContact O-N 3.29Å; D19-R22 IonicContact OD1-CZ 3.51Å; D19-R22 VanDerWaalsContact OD1-CZ 3.31Å; D19-R22 IonicContact OD1-NH1 2.92Å; D19-R22 PolarHBondContact OD1-NH1 2.81Å; D19-R22 IonicContact OD1-NH2 3.68Å; D19-R22 PolarHBondContact OD1-NH2 3.18Å; D19-A23 WeakPolarHBondContact O-CB 3.46Å; D19-A23 PolarHBondContact O-N 2.96Å
20M84.6Confident76.9Confident1 Ų128.6 Ų28.61%0.00515%0.145CC..Hα-helixtrans-64.9-42.1172.8-173.2177.3164.600111.3F8 G16 I17 D18 A23 V24 F65 R69 V73F8-M20 HydrophobicContact CB-CE 3.54Å; F8-M20 HydrophobicContact CB-CG 4.17Å; F8-M20 HydrophobicContact CB-SD 3.91Å; F8-M20 HydrophobicContact CD1-CG 4.35Å; F8-M20 HydrophobicContact CD2-CE 3.63Å; F8-M20 HydrophobicContact CD2-CG 3.89Å; F8-M20 HydrophobicContact CD2-SD 4.43Å; F8-M20 HydrophobicContact CE2-CG 4.32Å; F8-M20 HydrophobicContact CG-CE 3.91Å; F8-M20 HydrophobicContact CG-CG 3.9Å; F8-M20 HydrophobicContact CG-SD 4.29Å; G16-M20 PolarHBondContact O-N 2.69Å; I17-M20 PolarHBondContact O-N 2.96Å; D18-M20 VanDerWaalsContact C-N 3.35Å; M20-A23 PolarHBondContact O-N 3.14Å; M20-V24 VanDerWaalsContact O-CG2 3.31Å; M20-V24 WeakPolarHBondContact O-CG2 3.11Å; M20-V24 PolarHBondContact O-N 2.95Å; M20-F65 HydrophobicContact CE-CE2 3.54Å; M20-F65 HydrophobicContact CE-CZ 3.54Å; M20-F65 HydrophobicContact SD-CE2 4.06Å; M20-R69 HydrophobicContact SD-CG 4.27Å; M20-V73 HydrophobicContact CE-CG1 4.16Å; M20-V73 HydrophobicContact CE-CG2 4.03Å; M20-V73 HydrophobicContact CG-CG2 4.3Å; M20-V73 HydrophobicContact SD-CG2 3.63Å
21V87.9Confident77.6Confident6 Ų630.3 Ų30.34%0.03615%0.153CC..Hα-helixtrans-60.8-45.5173.2168.50000110.6I17 D18 A23 V24 L25 V73 K76 L77I17-V21 HydrophobicContact CG2-CG2 4.35Å; I17-V21 VanDerWaalsContact O-CG2 3.27Å; I17-V21 WeakPolarHBondContact O-CG2 3.2Å; I17-V21 PolarHBondContact O-N 3.26Å; D18-V21 PolarHBondContact O-N 3.47Å; V21-A23 VanDerWaalsContact C-N 3.31Å; V21-A23 PolarHBondContact O-N 2.99Å; V21-V24 PolarHBondContact O-N 3.19Å; V21-L25 HydrophobicContact CG1-CD1 3.88Å; V21-L25 HydrophobicContact CG1-CG 4.47Å; V21-L25 WeakPolarHBondContact O-CB 3.02Å; V21-L25 VanDerWaalsContact O-CG 3.28Å; V21-L25 WeakPolarHBondContact O-CG 3.31Å; V21-L25 PolarHBondContact O-N 3.07Å; V21-V73 HydrophobicContact CG2-CG1 4.05Å; V21-K76 HydrophobicContact CG1-CG 4.43Å; V21-K76 HydrophobicContact CG2-CB 4.02Å; V21-K76 HydrophobicContact CG2-CD 4.17Å; V21-K76 HydrophobicContact CG2-CG 4.13Å; V21-L77 HydrophobicContact CG1-CD2 3.86Å; V21-L77 HydrophobicContact CG1-CG 4.32Å; V21-L77 HydrophobicContact CG2-CG 4.32Å
22R85.4Confident78.2Confident135 Ų13533.3 Ų33.351%0.50918%0.184SC..Hα-helixtrans-61-39.6176.6-163.8-172.5-57.412810.7112D18 D19 T26D18-R22 WeakPolarHBondContact O-CB 2.99Å; D18-R22 PolarHBondContact O-N 3.18Å; D19-R22 PolarHBondContact O-N 3.29Å; D19-R22 IonicContact OD1-CZ 3.51Å; D19-R22 VanDerWaalsContact OD1-CZ 3.31Å; D19-R22 IonicContact OD1-NH1 2.92Å; D19-R22 PolarHBondContact OD1-NH1 2.81Å; D19-R22 IonicContact OD1-NH2 3.68Å; D19-R22 PolarHBondContact OD1-NH2 3.18Å; R22-T26 WeakPolarHBondContact O-CB 3.33Å; R22-T26 PolarHBondContact O-N 3.31Å; R22-T26 PolarHBondContact O-OG1 3.22Å
23A83.4Confident79.3Confident7 Ų736.9 Ų36.96%0.05820%0.197CC..Hα-helixtrans-67.4-43.817600000111.8F8 D19 M20 V21 L25 T26 C27 F532F8-A23 HydrophobicContact CE1-CB 3.61Å; F8-A23 HydrophobicContact CZ-CB 3.48Å; F8-A23 VanDerWaalsContact CZ-CB 3.48Å; D19-A23 WeakPolarHBondContact O-CB 3.46Å; D19-A23 PolarHBondContact O-N 2.96Å; M20-A23 PolarHBondContact O-N 3.14Å; V21-A23 VanDerWaalsContact C-N 3.31Å; V21-A23 PolarHBondContact O-N 2.99Å; A23-L25 PolarHBondContact O-N 2.97Å; A23-T26 PolarHBondContact O-N 3.33Å; A23-C27 WeakPolarHBondContact O-CB 3.28Å; A23-C27 PolarHBondContact O-N 3.29Å; A23-C27 PolarHBondContact O-SG 3.02Å; A23-F532 HydrophobicContact CB-CD1 3.84Å; A23-F532 HydrophobicContact CB-CE1 4.12Å
24V86.3Confident80.8Confident3 Ų338.8 Ų38.82%0.01821%0.212CC..Hα-helixtrans-58.8-46.7174.1172.90000111.1F8 M20 V21 T26 C27 K28 V38 L42 L77F8-V24 HydrophobicContact CD2-CG2 4.21Å; F8-V24 HydrophobicContact CE2-CG2 3.45Å; F8-V24 VanDerWaalsContact CE2-CG2 3.45Å; F8-V24 HydrophobicContact CZ-CG2 4.21Å; M20-V24 VanDerWaalsContact O-CG2 3.31Å; M20-V24 WeakPolarHBondContact O-CG2 3.11Å; M20-V24 PolarHBondContact O-N 2.95Å; V21-V24 PolarHBondContact O-N 3.19Å; V24-T26 VanDerWaalsContact C-N 3.33Å; V24-T26 PolarHBondContact O-N 3.26Å; V24-C27 PolarHBondContact O-N 3.42Å; V24-K28 WeakPolarHBondContact O-CB 3.36Å; V24-K28 PolarHBondContact O-N 2.94Å; V24-V38 HydrophobicContact CG1-CG1 3.92Å; V24-L42 HydrophobicContact CG1-CD1 4.21Å; V24-L42 HydrophobicContact CG2-CD1 4.32Å; V24-L42 HydrophobicContact CG2-CD2 4.3Å; V24-L77 HydrophobicContact CB-CD1 4.45Å; V24-L77 HydrophobicContact CB-CD2 4.42Å; V24-L77 HydrophobicContact CG1-CD1 3.92Å; V24-L77 HydrophobicContact CG1-CD2 4.1Å
25L86.2Confident82.4Confident33 Ų3339.7 Ų39.717%0.17322%0.215CC..Hα-helixtrans-59.2-45.6177.9-72.8166.2000111.3V21 A23 K28 E29 W35 L77 E81V21-L25 HydrophobicContact CG1-CD1 3.88Å; V21-L25 HydrophobicContact CG1-CG 4.47Å; V21-L25 WeakPolarHBondContact O-CB 3.02Å; V21-L25 VanDerWaalsContact O-CG 3.28Å; V21-L25 WeakPolarHBondContact O-CG 3.31Å; V21-L25 PolarHBondContact O-N 3.07Å; A23-L25 PolarHBondContact O-N 2.97Å; L25-K28 PolarHBondContact O-N 3.18Å; L25-E29 WeakPolarHBondContact O-CB 3.41Å; L25-E29 PolarHBondContact O-N 3.22Å; L25-W35 HydrophobicContact CD2-CH2 3.58Å; L25-W35 HydrophobicContact CD2-CZ2 3.92Å; L25-L77 HydrophobicContact CD2-CD2 4.28Å; L25-L77 HydrophobicContact CG-CD2 4.17Å; L25-E81 HydrophobicContact CD2-CB 4.28Å; L25-E81 HydrophobicContact CD2-CG 4.21Å; L25-E81 WeakPolarHBondContact CD2-OE2 3.41Å
26T82.8Confident83.7Confident7 Ų740 Ų404%0.04322%0.217CC..Hα-helixtrans-61-46.5176.4-63.50000111.8R22 A23 V24 K28 E29 I30 F532 Y581R22-T26 WeakPolarHBondContact O-CB 3.33Å; R22-T26 PolarHBondContact O-N 3.31Å; R22-T26 PolarHBondContact O-OG1 3.22Å; A23-T26 PolarHBondContact O-N 3.33Å; V24-T26 VanDerWaalsContact C-N 3.33Å; V24-T26 PolarHBondContact O-N 3.26Å; T26-K28 PolarHBondContact O-N 2.9Å; T26-E29 PolarHBondContact O-N 3.41Å; T26-I30 HydrophobicContact CG2-CD1 3.53Å; T26-I30 HydrophobicContact CG2-CG1 4.32Å; T26-I30 WeakPolarHBondContact O-CB 3.23Å; T26-I30 VanDerWaalsContact O-CG1 3.3Å; T26-I30 WeakPolarHBondContact O-CG1 3.49Å; T26-I30 PolarHBondContact O-N 2.9Å; T26-F532 HydrophobicContact CG2-CE1 4.16Å; T26-F532 HydrophobicContact CG2-CZ 4.04Å; T26-Y581 HydrophobicContact CG2-CE2 4.13Å
27C83.2Confident84.1Confident5 Ų541 Ų413%0.03422%0.218CC..Hα-helixtrans-60.6-44.9176.2-70.40000112.2I4 A23 V24 E29 I30 Q31 F532I4-C27 HydrophobicContact CD1-CB 3.52Å; I4-C27 WeakPolarHBondContact CD1-SG 3.49Å; A23-C27 WeakPolarHBondContact O-CB 3.28Å; A23-C27 PolarHBondContact O-N 3.29Å; A23-C27 PolarHBondContact O-SG 3.02Å; V24-C27 PolarHBondContact O-N 3.42Å; C27-E29 VanDerWaalsContact C-N 3.34Å; C27-E29 PolarHBondContact O-N 2.98Å; C27-I30 PolarHBondContact O-N 3.41Å; C27-Q31 WeakPolarHBondContact O-CB 3.32Å; C27-Q31 VanDerWaalsContact O-CG 3.29Å; C27-Q31 WeakPolarHBondContact O-CG 3.49Å; C27-Q31 PolarHBondContact O-N 2.9Å; C27-F532 WeakPolarHBondContact SG-CE2 3.45Å; C27-F532 WeakPolarHBondContact SG-CZ 3.38Å
28K84.8Confident84.1Confident52 Ų5241 Ų4123%0.22622%0.218CC..Hα-helixtrans-61.7-43.2179.2175.2-98.9179.6178.30111.3V24 L25 T26 G32 R33 W35 V38V24-K28 WeakPolarHBondContact O-CB 3.36Å; V24-K28 PolarHBondContact O-N 2.94Å; L25-K28 PolarHBondContact O-N 3.18Å; T26-K28 PolarHBondContact O-N 2.9Å; K28-G32 PolarHBondContact O-N 3.24Å; K28-G32 VanDerWaalsContact O-N 3.09Å; K28-R33 PolarHBondContact O-N 2.83Å; K28-W35 HydrophobicContact CD-CD2 4.49Å; K28-W35 HydrophobicContact CD-CH2 4.18Å; K28-W35 HydrophobicContact CD-CZ2 3.84Å; K28-W35 HydrophobicContact CG-CD2 4.43Å; K28-W35 HydrophobicContact CG-CE3 4.36Å; K28-W35 HydrophobicContact CG-CH2 4.32Å; K28-W35 HydrophobicContact CG-CZ2 4.37Å; K28-W35 HydrophobicContact CG-CZ3 4.31Å; K28-V38 HydrophobicContact CB-CG2 4.05Å; K28-V38 HydrophobicContact CG-CG2 3.96Å
29E83.2Confident84.3Confident78 Ų7837.1 Ų37.136%0.36420%0.198SC..Hα-helixtrans-67-48.3178.1-170.3-170.9162.400112.2L25 T26 C27 G32 R580 S655L25-E29 WeakPolarHBondContact O-CB 3.41Å; L25-E29 PolarHBondContact O-N 3.22Å; T26-E29 PolarHBondContact O-N 3.41Å; C27-E29 VanDerWaalsContact C-N 3.34Å; C27-E29 PolarHBondContact O-N 2.98Å; E29-G32 PolarHBondContact O-N 3.44Å; E29-R580 IonicContact OE1-CZ 3.94Å; E29-R580 IonicContact OE1-NH2 2.61Å; E29-R580 PolarHBondContact OE1-NH2 3.43Å; E29-R580 IonicContact OE2-CZ 2.84Å; E29-R580 VanDerWaalsContact OE2-CZ 3.23Å; E29-R580 IonicContact OE2-NH1 3.97Å; E29-R580 PolarHBondContact OE2-NH1 2.98Å; E29-R580 IonicContact OE2-NH2 3.25Å; E29-R580 PolarHBondContact OE2-NH2 3.33Å; E29-S655 WeakPolarHBondContact OE1-CB 3.49Å
30I79.4Confident84.7Confident4 Ų438 Ų382%0.02120%0.197CC..Hα-helixtrans-72.1-32-177.2-67.3177.2000112.2T26 C27 Q573 L576 V577 H653T26-I30 HydrophobicContact CG2-CD1 3.53Å; T26-I30 HydrophobicContact CG2-CG1 4.32Å; T26-I30 WeakPolarHBondContact O-CB 3.23Å; T26-I30 VanDerWaalsContact O-CG1 3.3Å; T26-I30 WeakPolarHBondContact O-CG1 3.49Å; T26-I30 PolarHBondContact O-N 2.9Å; C27-I30 PolarHBondContact O-N 3.41Å; I30-Q573 HydrophobicContact CG2-CB 3.57Å; I30-Q573 HydrophobicContact CG2-CG 3.59Å; I30-Q573 PolarHBondContact O-NE2 3.43Å; I30-L576 HydrophobicContact CD1-CB 4Å; I30-L576 HydrophobicContact CG1-CB 4.2Å; I30-V577 HydrophobicContact CD1-CB 4.39Å; I30-V577 HydrophobicContact CD1-CG2 3.48Å; I30-V577 VanDerWaalsContact CD1-CG2 3.48Å; I30-H653 PolarHBondContact O-CE1 3.36Å
31Q80.1Confident84.7Confident39 Ų3938.9 Ų38.918%0.18220%0.201CC..Hα-helixtrans-88.8-8.8177.3-63.3-177-10.700113.6C27 R33C27-Q31 WeakPolarHBondContact O-CB 3.32Å; C27-Q31 VanDerWaalsContact O-CG 3.29Å; C27-Q31 WeakPolarHBondContact O-CG 3.49Å; C27-Q31 PolarHBondContact O-N 2.9Å; Q31-R33 VanDerWaalsContact C-N 3.26Å; Q31-R33 HydrophobicContact CB-CG 3.8Å; Q31-R33 PolarHBondContact O-N 3.38Å
32G75.4Confident84.7Confident65 Ų6539 Ų3967%0.6720%0.201SC*.THydrogen-bonded Turntrans60.531.1-179.700000114K28 E29K28-G32 PolarHBondContact O-N 3.24Å; K28-G32 VanDerWaalsContact O-N 3.09Å; E29-G32 PolarHBondContact O-N 3.44Å
33R81Confident84.9Confident80 Ų8032.5 Ų32.530%0.30218%0.177SC..  trans-85.8149.3-175.7-64.6-68.1-172.5178.63.8111.7K28 Q31 V38K28-R33 PolarHBondContact O-N 2.83Å; Q31-R33 VanDerWaalsContact C-N 3.26Å; Q31-R33 HydrophobicContact CB-CG 3.8Å; Q31-R33 PolarHBondContact O-N 3.38Å; R33-V38 HydrophobicContact CB-CG2 3.78Å
34C86.7Confident85Confident63 Ų6335 Ų3543%0.42619%0.188SC..  trans-72.3152.917180.80000110.8T36 D37 V38C34-T36 VanDerWaalsContact C-N 3.31Å; C34-T36 PolarHBondContact O-N 3.35Å; C34-D37 PolarHBondContact O-N 3.47Å; C34-D37 PolarHBondContact SG-N 3.13Å; C34-D37 VanDerWaalsContact SG-N 3.43Å; C34-D37 PolarHBondContact SG-OD2 2.89Å; C34-V38 WeakPolarHBondContact O-CG2 3.27Å; C34-V38 PolarHBondContact O-N 2.87Å; C34-V38 VanDerWaalsContact O-N 3.13Å
35W88.9Confident84.7Confident28 Ų2835 Ų3511%0.10619%0.187CC..Hα-helixtrans-60.6-37.9-177.5-84123.3000113.3L25 K28 D37 V38 V39 L77 E81 T82 P83 S86L25-W35 HydrophobicContact CD2-CH2 3.58Å; L25-W35 HydrophobicContact CD2-CZ2 3.92Å; K28-W35 HydrophobicContact CD-CD2 4.49Å; K28-W35 HydrophobicContact CD-CH2 4.18Å; K28-W35 HydrophobicContact CD-CZ2 3.84Å; K28-W35 HydrophobicContact CG-CD2 4.43Å; K28-W35 HydrophobicContact CG-CE3 4.36Å; K28-W35 HydrophobicContact CG-CH2 4.32Å; K28-W35 HydrophobicContact CG-CZ2 4.37Å; K28-W35 HydrophobicContact CG-CZ3 4.31Å; W35-D37 VanDerWaalsContact C-N 3.33Å; W35-D37 PolarHBondContact O-N 2.78Å; W35-V38 HydrophobicContact CE3-CB 4.38Å; W35-V38 HydrophobicContact CE3-CG1 4.39Å; W35-V38 HydrophobicContact CZ3-CG1 4.34Å; W35-V38 PolarHBondContact O-N 3.23Å; W35-V39 WeakPolarHBondContact O-CG2 3.3Å; W35-V39 PolarHBondContact O-N 3.25Å; W35-L77 HydrophobicContact CH2-CD2 4.13Å; W35-L77 HydrophobicContact CZ3-CD2 4.28Å; W35-E81 HydrophobicContact CH2-CB 4.42Å; W35-E81 HydrophobicContact CZ2-CB 3.62Å; W35-E81 PolarHBondContact NE1-O 3.44Å; W35-T82 HydrophobicContact CB-CG2 4.3Å; W35-T82 HydrophobicContact CD2-CG2 4.11Å; W35-T82 HydrophobicContact CE3-CG2 3.98Å; W35-T82 HydrophobicContact CG-CG2 4.28Å; W35-T82 WeakPolarHBondContact CH2-OG1 3.25Å; W35-T82 WeakPolarHBondContact CZ3-OG1 3.37Å; W35-P83 VanDerWaalsContact CD1-CD 3.42Å; W35-S86 WeakPolarHBondContact CB-OG 3.08Å
36T89.2Confident84.8Confident51 Ų5133.4 Ų33.431%0.31318%0.179SC..Hα-helixtrans-61.3-41177.6-49.90000112.1C34 R40C34-T36 VanDerWaalsContact C-N 3.31Å; C34-T36 PolarHBondContact O-N 3.35Å; T36-R40 VanDerWaalsContact O-CB 3.25Å; T36-R40 WeakPolarHBondContact O-CB 3.23Å; T36-R40 PolarHBondContact O-N 3.49Å
37D86.2Confident84.9Confident42 Ų4233 Ų3323%0.22518%0.177CC..Hα-helixtrans-64.9-48.5175.5-73.7-37.2000110.5C34 W35 V39 R40 D41C34-D37 PolarHBondContact O-N 3.47Å; C34-D37 PolarHBondContact SG-N 3.13Å; C34-D37 VanDerWaalsContact SG-N 3.43Å; C34-D37 PolarHBondContact SG-OD2 2.89Å; W35-D37 VanDerWaalsContact C-N 3.33Å; W35-D37 PolarHBondContact O-N 2.78Å; D37-V39 VanDerWaalsContact C-N 3.35Å; D37-V39 PolarHBondContact O-N 2.98Å; D37-R40 PolarHBondContact O-N 3Å; D37-R40 IonicContact OD1-CZ 3.41Å; D37-R40 IonicContact OD1-NH1 3.36Å; D37-R40 PolarHBondContact OD1-NH1 2.86Å; D37-R40 IonicContact OD1-NH2 2.64Å; D37-R40 PolarHBondContact OD1-NH2 3.06Å; D37-D41 VanDerWaalsContact O-CB 3.29Å; D37-D41 WeakPolarHBondContact O-CB 3.48Å; D37-D41 PolarHBondContact O-N 3.45Å
38V86.2Confident84.8Confident18 Ų1836 Ų3611%0.10919%0.192CC..Hα-helixtrans-56.8-48.5179174.70000111.1V24 K28 R33 C34 W35 D41 L42V24-V38 HydrophobicContact CG1-CG1 3.92Å; K28-V38 HydrophobicContact CB-CG2 4.05Å; K28-V38 HydrophobicContact CG-CG2 3.96Å; R33-V38 HydrophobicContact CB-CG2 3.78Å; C34-V38 WeakPolarHBondContact O-CG2 3.27Å; C34-V38 PolarHBondContact O-N 2.87Å; C34-V38 VanDerWaalsContact O-N 3.13Å; W35-V38 HydrophobicContact CE3-CB 4.38Å; W35-V38 HydrophobicContact CE3-CG1 4.39Å; W35-V38 HydrophobicContact CZ3-CG1 4.34Å; W35-V38 PolarHBondContact O-N 3.23Å; V38-D41 PolarHBondContact O-N 3.12Å; V38-L42 HydrophobicContact CG1-CD1 4.26Å; V38-L42 VanDerWaalsContact O-CG 3.32Å; V38-L42 WeakPolarHBondContact O-CG 3.48Å; V38-L42 PolarHBondContact O-N 3Å
39V89.7Confident84.5Confident1 Ų133.9 Ų33.91%0.00618%0.183CC..Hα-helixtrans-64.9-45.8179.1175.60000111.3W35 D37 D41 L42 L43 L74 T82 L87W35-V39 WeakPolarHBondContact O-CG2 3.3Å; W35-V39 PolarHBondContact O-N 3.25Å; D37-V39 VanDerWaalsContact C-N 3.35Å; D37-V39 PolarHBondContact O-N 2.98Å; V39-D41 PolarHBondContact O-N 3.29Å; V39-L42 PolarHBondContact O-N 2.99Å; V39-L43 HydrophobicContact CG1-CD1 3.75Å; V39-L43 HydrophobicContact CG1-CG 4.19Å; V39-L43 WeakPolarHBondContact O-CB 3.36Å; V39-L43 VanDerWaalsContact O-CG 3.26Å; V39-L43 WeakPolarHBondContact O-CG 3.47Å; V39-L43 PolarHBondContact O-N 3.21Å; V39-L74 HydrophobicContact CG1-CD2 4.19Å; V39-L74 HydrophobicContact CG2-CD2 4.47Å; V39-T82 HydrophobicContact CG2-CG2 4.06Å; V39-L87 HydrophobicContact CG1-CD1 4.08Å
40R87.9Confident84.3Confident80 Ų8031 Ų3130%0.30217%0.17SC..Hα-helixtrans-54.8-44.6175.1179.4-165.666.2-138-11.7110.7T36 D37 L43 H44 A93T36-R40 VanDerWaalsContact O-CB 3.25Å; T36-R40 WeakPolarHBondContact O-CB 3.23Å; T36-R40 PolarHBondContact O-N 3.49Å; D37-R40 PolarHBondContact O-N 3Å; D37-R40 IonicContact OD1-CZ 3.41Å; D37-R40 IonicContact OD1-NH1 3.36Å; D37-R40 PolarHBondContact OD1-NH1 2.86Å; D37-R40 IonicContact OD1-NH2 2.64Å; D37-R40 PolarHBondContact OD1-NH2 3.06Å; R40-L43 PolarHBondContact O-N 3.28Å; R40-H44 WeakPolarHBondContact O-CB 3.26Å; R40-H44 PolarHBondContact O-N 3.49Å; R40-A93 HydrophobicContact CG-CB 4.09Å
41D84.2Confident84.1Confident20 Ų2032.3 Ų32.311%0.10718%0.176CC..Hα-helixtrans-74-31.8-174.3-61.6-27.7000111.6M1 S3 D37 V38 V39 G45M1-D41 HydrophobicContact CE-CB 3.47Å; M1-D41 VanDerWaalsContact CE-CB 3.47Å; M1-D41 WeakPolarHBondContact CE-OD2 3.49Å; S3-D41 WeakPolarHBondContact CB-O 3.33Å; S3-D41 PolarHBondContact OG-O 3.21Å; D37-D41 VanDerWaalsContact O-CB 3.29Å; D37-D41 WeakPolarHBondContact O-CB 3.48Å; D37-D41 PolarHBondContact O-N 3.45Å; V38-D41 PolarHBondContact O-N 3.12Å; V39-D41 PolarHBondContact O-N 3.29Å; D41-G45 PolarHBondContact O-N 3.04Å
42L87.8Confident83.4Confident7 Ų731.6 Ų31.64%0.03717%0.173CC..Hα-helixtrans-64.2-51.2169.8-71.2174.1000111.5S5 V24 V38 V39 G45 A46 L70 L74 L77S5-L42 WeakPolarHBondContact OG-CA 3.28Å; S5-L42 WeakPolarHBondContact OG-CD2 3.45Å; S5-L42 PolarHBondContact OG-O 3.01Å; V24-L42 HydrophobicContact CG1-CD1 4.21Å; V24-L42 HydrophobicContact CG2-CD1 4.32Å; V24-L42 HydrophobicContact CG2-CD2 4.3Å; V38-L42 HydrophobicContact CG1-CD1 4.26Å; V38-L42 VanDerWaalsContact O-CG 3.32Å; V38-L42 WeakPolarHBondContact O-CG 3.48Å; V38-L42 PolarHBondContact O-N 3Å; V39-L42 PolarHBondContact O-N 2.99Å; L42-G45 PolarHBondContact O-N 2.77Å; L42-A46 WeakPolarHBondContact O-CB 3.39Å; L42-A46 PolarHBondContact O-N 2.93Å; L42-L70 HydrophobicContact CB-CD1 4.25Å; L42-L74 HydrophobicContact CD1-CD2 4.33Å; L42-L77 HydrophobicContact CD1-CD1 4.32Å
43L90.4Very high82.8Confident0 Ų032.2 Ų32.20%016%0.161CC..Hα-helixtrans-59.3-51.5178.6-72.3172.3000111.6V39 R40 G45 A46 F47 L70 L74 L91 L94 F116V39-L43 HydrophobicContact CG1-CD1 3.75Å; V39-L43 HydrophobicContact CG1-CG 4.19Å; V39-L43 WeakPolarHBondContact O-CB 3.36Å; V39-L43 VanDerWaalsContact O-CG 3.26Å; V39-L43 WeakPolarHBondContact O-CG 3.47Å; V39-L43 PolarHBondContact O-N 3.21Å; R40-L43 PolarHBondContact O-N 3.28Å; L43-G45 VanDerWaalsContact C-N 3.35Å; L43-G45 PolarHBondContact O-N 3.27Å; L43-A46 PolarHBondContact O-N 3.41Å; L43-F47 WeakPolarHBondContact O-CD2 3.37Å; L43-F47 PolarHBondContact O-N 2.7Å; L43-F47 VanDerWaalsContact O-N 3.13Å; L43-L70 HydrophobicContact CD2-CD2 4.15Å; L43-L74 HydrophobicContact CD2-CD1 4.02Å; L43-L91 HydrophobicContact CD1-CD2 3.85Å; L43-L91 HydrophobicContact CD1-CG 4.13Å; L43-L91 HydrophobicContact CD2-CD2 4.24Å; L43-L94 HydrophobicContact CB-CD2 4.16Å; L43-F116 HydrophobicContact CD2-CD1 4.45Å; L43-F116 HydrophobicContact CD2-CE1 3.33Å; L43-F116 HydrophobicContact CD2-CZ 3.48Å; L43-F116 VanDerWaalsContact CD2-CZ 3.48Å
44H85.2Confident81.6Confident60 Ų6029.6 Ų29.628%0.27816%0.155SC..Hα-helixtrans-59.8-45.3179.7-169.2176.1000111.2R40 A46 F47 L48 L100R40-H44 WeakPolarHBondContact O-CB 3.26Å; R40-H44 PolarHBondContact O-N 3.49Å; H44-A46 VanDerWaalsContact C-N 3.34Å; H44-A46 PolarHBondContact O-N 2.97Å; H44-F47 PolarHBondContact O-N 3.19Å; H44-L48 WeakPolarHBondContact O-CG 3.35Å; H44-L48 PolarHBondContact O-N 2.84Å; H44-L100 WeakPolarHBondContact CD2-CD2 3.41Å
45G80.8Confident80.1Confident1 Ų127.5 Ų27.51%0.0114%0.141CC..Hα-helixtrans-61.7-39.1177.300000113.8S3 D41 L42 L43 L48 L49S3-G45 WeakPolarHBondContact OG-CA 3.4Å; D41-G45 PolarHBondContact O-N 3.04Å; L42-G45 PolarHBondContact O-N 2.77Å; L43-G45 VanDerWaalsContact C-N 3.35Å; L43-G45 PolarHBondContact O-N 3.27Å; G45-L48 PolarHBondContact O-N 3.07Å; G45-L49 PolarHBondContact O-N 3.09Å
46A87.1Confident78.4Confident0 Ų027.2 Ų27.20%014%0.141CC..Hα-helixtrans-68-36.8178.600000113L42 L43 H44 L49 F65 L66 L70L42-A46 WeakPolarHBondContact O-CB 3.39Å; L42-A46 PolarHBondContact O-N 2.93Å; L43-A46 PolarHBondContact O-N 3.41Å; H44-A46 VanDerWaalsContact C-N 3.34Å; H44-A46 PolarHBondContact O-N 2.97Å; A46-L49 WeakPolarHBondContact O-CB 3.48Å; A46-L49 PolarHBondContact O-N 3.32Å; A46-F65 HydrophobicContact CB-CD1 3.96Å; A46-F65 HydrophobicContact CB-CE1 3.8Å; A46-L66 HydrophobicContact CB-CD1 3.69Å; A46-L70 HydrophobicContact CB-CD2 3.55Å
47F85.9Confident76.9Confident0 Ų025.6 Ų25.60%013%0.13CC..Hα-helixtrans-71.4-36.4172.9-85.9-93.3000112.4L43 H44 L49 I50 H51 L66 L94 L100 L101 L113 F116L43-F47 WeakPolarHBondContact O-CD2 3.37Å; L43-F47 PolarHBondContact O-N 2.7Å; L43-F47 VanDerWaalsContact O-N 3.13Å; H44-F47 PolarHBondContact O-N 3.19Å; F47-L49 VanDerWaalsContact C-N 3.28Å; F47-L49 PolarHBondContact O-N 2.99Å; F47-I50 PolarHBondContact O-N 3.33Å; F47-H51 PolarHBondContact O-CD2 3.08Å; F47-L66 HydrophobicContact CD1-CD2 4.14Å; F47-L66 HydrophobicContact CD2-CD1 3.89Å; F47-L66 HydrophobicContact CD2-CD2 4.11Å; F47-L66 HydrophobicContact CE1-CD2 3.95Å; F47-L66 HydrophobicContact CE2-CD1 3.73Å; F47-L66 HydrophobicContact CE2-CD2 3.9Å; F47-L66 HydrophobicContact CE2-CG 4.46Å; F47-L66 HydrophobicContact CG-CD2 4.24Å; F47-L66 HydrophobicContact CZ-CD1 4.41Å; F47-L66 HydrophobicContact CZ-CD2 3.83Å; F47-L94 HydrophobicContact CD2-CD1 4.34Å; F47-L94 HydrophobicContact CD2-CD2 3.76Å; F47-L94 HydrophobicContact CE2-CD2 3.49Å; F47-L94 VanDerWaalsContact CE2-CD2 3.49Å; F47-L94 HydrophobicContact CZ-CD2 4.21Å; F47-L100 HydrophobicContact CB-CD1 4.43Å; F47-L100 HydrophobicContact CB-CD2 3.73Å; F47-L100 HydrophobicContact CB-CG 4.14Å; F47-L101 HydrophobicContact CD1-CD2 3.77Å; F47-L101 HydrophobicContact CE1-CD2 3.67Å; F47-L101 HydrophobicContact CG-CD2 4.37Å; F47-L101 HydrophobicContact CZ-CD2 4.21Å; F47-L113 HydrophobicContact CZ-CD1 4.44Å; F47-F116 HydrophobicContact CE2-CD1 4.41Å; F47-F116 HydrophobicContact CE2-CG 4.42Å; F47-F116 HydrophobicContact CZ-CB 4.22Å; F47-F116 HydrophobicContact CZ-CG 4.47Å
48L80.5Confident75.9Confident66 Ų6624 Ų2435%0.34612%0.122SC..Hα-helixtrans-62.6-36.8173.5-76.4169000112H44 G45 I50 H51 D52 L100H44-L48 WeakPolarHBondContact O-CG 3.35Å; H44-L48 PolarHBondContact O-N 2.84Å; G45-L48 PolarHBondContact O-N 3.07Å; L48-I50 VanDerWaalsContact C-N 3.26Å; L48-I50 PolarHBondContact O-N 3.36Å; L48-H51 CarbonylContact O-C 3.52Å; L48-H51 WeakPolarHBondContact O-CA 3.4Å; L48-H51 WeakPolarHBondContact O-CB 3.32Å; L48-H51 PolarHBondContact O-N 2.98Å; L48-D52 PolarHBondContact O-N 3.35Å; L48-L100 HydrophobicContact CD2-CD1 3.77Å; L48-L100 HydrophobicContact CG-CD1 4.21Å; L48-L100 HydrophobicContact CG-CD2 4.31Å
49L78.1Confident75.3Confident8 Ų826 Ų264%0.04214%0.135CC..Hα-helixtrans-58.4-36177.8-177.775.6000112.7I6 A9 G45 A46 F47 H51 D52 A62 F65I6-L49 HydrophobicContact CG2-CD1 4.4Å; A9-L49 HydrophobicContact CB-CD1 4.04Å; A9-L49 HydrophobicContact CB-CD2 3.25Å; A9-L49 HydrophobicContact CB-CG 4.25Å; G45-L49 PolarHBondContact O-N 3.09Å; A46-L49 WeakPolarHBondContact O-CB 3.48Å; A46-L49 PolarHBondContact O-N 3.32Å; F47-L49 VanDerWaalsContact C-N 3.28Å; F47-L49 PolarHBondContact O-N 2.99Å; L49-H51 PolarHBondContact O-N 3.28Å; L49-D52 VanDerWaalsContact O-CB 3.26Å; L49-D52 WeakPolarHBondContact O-CB 3.47Å; L49-D52 PolarHBondContact O-N 3.5Å; L49-A62 HydrophobicContact CD2-CB 3.87Å; L49-A62 HydrophobicContact CG-CB 3.8Å; L49-F65 HydrophobicContact CD2-CB 4.17Å; L49-F65 HydrophobicContact CD2-CD1 3.95Å; L49-F65 HydrophobicContact CD2-CG 4.31Å
50I79Confident74.8Confident17 Ų1725.9 Ų25.99%0.08714%0.135CC..Hα-helixtrans-63.6-27177.6-66.6172.4000111.3F47 L48 A62 L66 Y67 K107F47-I50 PolarHBondContact O-N 3.33Å; L48-I50 VanDerWaalsContact C-N 3.26Å; L48-I50 PolarHBondContact O-N 3.36Å; I50-A62 HydrophobicContact CG1-CB 4.35Å; I50-L66 HydrophobicContact CD1-CB 4.14Å; I50-L66 HydrophobicContact CD1-CD2 3.25Å; I50-L66 HydrophobicContact CD1-CG 4.29Å; I50-L66 HydrophobicContact CG1-CD2 4.48Å; I50-Y67 HydrophobicContact CD1-CE2 4.34Å; I50-K107 HydrophobicContact CG2-CD 4.42Å; I50-K107 PolarHBondContact O-NZ 3.49Å
51H75.3Confident74.3Confident32 Ų3222.3 Ų22.315%0.14812%0.122CC..THydrogen-bonded Turntrans-91.4-4.5175.5-65.5-67.3000113.5F47 L48 L49 N53 A103 S104F47-H51 PolarHBondContact O-CD2 3.08Å; L48-H51 CarbonylContact O-C 3.52Å; L48-H51 WeakPolarHBondContact O-CA 3.4Å; L48-H51 WeakPolarHBondContact O-CB 3.32Å; L48-H51 PolarHBondContact O-N 2.98Å; L49-H51 PolarHBondContact O-N 3.28Å; H51-N53 PolarHBondContact O-N 3.19Å; H51-A103 PolarHBondContact CE1-O 3.27Å; H51-S104 VanDerWaalsContact CE1-CA 3.43Å; H51-S104 WeakPolarHBondContact CE1-CA 3.5Å; H51-S104 PolarHBondContact CE1-N 3.44Å; H51-S104 VanDerWaalsContact CE1-N 3.3Å; H51-S104 VanDerWaalsContact NE2-CA 3.27Å; H51-S104 WeakPolarHBondContact NE2-CA 3.38Å; H51-S104 PolarHBondContact NE2-N 2.78Å; H51-S104 PolarHBondContact NE2-OG 3.38Å
52D67.2Low74.1Confident24 Ų2421.9 Ų21.913%0.12812%0.121CC..  trans-70.7106.1177.8-165.2-8.7000109.4L48 L49 T54 S55 S485L48-D52 PolarHBondContact O-N 3.35Å; L49-D52 VanDerWaalsContact O-CB 3.26Å; L49-D52 WeakPolarHBondContact O-CB 3.47Å; L49-D52 PolarHBondContact O-N 3.5Å; D52-T54 VanDerWaalsContact CG-OG1 3.26Å; D52-T54 WeakPolarHBondContact OD1-CA 3.44Å; D52-T54 WeakPolarHBondContact OD1-CB 3.42Å; D52-T54 WeakPolarHBondContact OD1-CG2 3.27Å; D52-T54 PolarHBondContact OD1-N 3.25Å; D52-T54 PolarHBondContact OD1-OG1 3.47Å; D52-T54 PolarHBondContact OD2-OG1 2.87Å; D52-S55 PolarHBondContact O-OG 2.83Å; D52-S55 PolarHBondContact OD1-N 3.28Å; D52-S485 WeakPolarHBondContact OD2-CA 3.42Å; D52-S485 WeakPolarHBondContact OD2-CB 3.18Å; D52-S485 PolarHBondContact OD2-N 3.48Å
53N61.2Low74.1Confident78 Ų7822.2 Ų22.242%0.41712%0.123SC..  trans-101.25.5172.5-55.3-38.7000111.1H51 S55 K107 L449H51-N53 PolarHBondContact O-N 3.19Å; N53-S55 VanDerWaalsContact C-N 3.28Å; N53-K107 PolarHBondContact OD1-NZ 3.29Å; N53-L449 HydrophobicContact CB-CD1 3.88Å; N53-L449 WeakPolarHBondContact ND2-CD1 3.24Å
54T56.4Low74.1Confident26 Ų2622.2 Ų22.216%0.1612%0.123CC..SBendtrans-75.1-25.5166.974.40000110.6D52 I56 F440 A484 S485 A486D52-T54 VanDerWaalsContact CG-OG1 3.26Å; D52-T54 WeakPolarHBondContact OD1-CA 3.44Å; D52-T54 WeakPolarHBondContact OD1-CB 3.42Å; D52-T54 WeakPolarHBondContact OD1-CG2 3.27Å; D52-T54 PolarHBondContact OD1-N 3.25Å; D52-T54 PolarHBondContact OD1-OG1 3.47Å; D52-T54 PolarHBondContact OD2-OG1 2.87Å; T54-I56 PolarHBondContact O-N 2.93Å; T54-F440 HydrophobicContact CG2-CD2 4.25Å; T54-F440 HydrophobicContact CG2-CE1 3.78Å; T54-F440 HydrophobicContact CG2-CE2 3.41Å; T54-F440 VanDerWaalsContact CG2-CE2 3.41Å; T54-F440 HydrophobicContact CG2-CZ 3.13Å; T54-A484 HydrophobicContact CG2-CB 4.12Å; T54-S485 PolarHBondContact OG1-N 2.94Å; T54-A486 WeakPolarHBondContact O-CB 3.38Å; T54-A486 PolarHBondContact OG1-N 2.97Å
55S54.5Low74.2Confident19 Ų1919.3 Ų19.313%0.13311%0.109CC..  trans-62133.2-174.372.30000110.3D52 N53 L57 S485D52-S55 PolarHBondContact O-OG 2.83Å; D52-S55 PolarHBondContact OD1-N 3.28Å; N53-S55 VanDerWaalsContact C-N 3.28Å; S55-L57 PolarHBondContact O-N 3.16Å; S55-L57 PolarHBondContact OG-O 3.25Å; S55-S485 WeakPolarHBondContact CA-OG 3.28Å; S55-S485 VanDerWaalsContact CB-CB 3.47Å; S55-S485 WeakPolarHBondContact CB-OG 3.07Å
56I52.9Low74.7Confident21 Ų2119.3 Ų19.311%0.10811%0.109CC..SBendtrans-63.4-29.7159.753.7140.5000109.6T54 F461 P462 L464 S489T54-I56 PolarHBondContact O-N 2.93Å; I56-F461 VanDerWaalsContact C-CE1 3.47Å; I56-F461 HydrophobicContact CB-CD1 3.8Å; I56-F461 HydrophobicContact CB-CE1 3.3Å; I56-F461 HydrophobicContact CB-CZ 3.91Å; I56-F461 HydrophobicContact CD1-CE1 3.37Å; I56-F461 HydrophobicContact CD1-CZ 3.77Å; I56-F461 HydrophobicContact CG1-CE1 3.73Å; I56-F461 HydrophobicContact CG1-CZ 4.05Å; I56-F461 HydrophobicContact CG2-CE1 4.41Å; I56-F461 VanDerWaalsContact O-CD1 3.29Å; I56-F461 WeakPolarHBondContact O-CD1 3.39Å; I56-F461 WeakPolarHBondContact O-CD2 3.49Å; I56-F461 WeakPolarHBondContact O-CE1 3.37Å; I56-F461 WeakPolarHBondContact O-CE2 3.23Å; I56-F461 WeakPolarHBondContact O-CG 3.2Å; I56-F461 WeakPolarHBondContact O-CZ 3.5Å; I56-P462 HydrophobicContact CG2-CB 4.29Å; I56-P462 WeakPolarHBondContact CG2-O 3.46Å; I56-L464 HydrophobicContact CD1-CD1 4.5Å; I56-L464 HydrophobicContact CD1-CD2 3.32Å; I56-L464 HydrophobicContact CD1-CG 3.83Å; I56-L464 HydrophobicContact CG1-CD2 4.1Å; I56-L464 HydrophobicContact CG2-CD2 4.37Å; I56-S489 WeakPolarHBondContact CG1-OG 3.32Å
57L57.8Low75Confident17 Ų1719.3 Ų19.39%0.08911%0.109CC..SBendtrans-64.3145.5-175.6-64.4169.3000113.2N10 S55 V61 F461N10-L57 VanDerWaalsContact OD1-CD1 3.29Å; N10-L57 WeakPolarHBondContact OD1-CD1 3.25Å; S55-L57 PolarHBondContact O-N 3.16Å; S55-L57 PolarHBondContact OG-O 3.25Å; L57-V61 HydrophobicContact CB-CB 4.38Å; L57-V61 HydrophobicContact CB-CG1 4.5Å; L57-V61 HydrophobicContact CD1-CG1 4.13Å; L57-F461 HydrophobicContact CD2-CZ 4.25Å
58P66.8Low75.4Confident9 Ų919.5 Ų19.56%0.05811%0.11CC..  trans-76.2154.3-175.7-16.138.5000109.5S60 V61 L199 Y252 F461P58-S60 PolarHBondContact O-N 2.9Å; P58-V61 PolarHBondContact O-N 3.39Å; P58-L199 HydrophobicContact CB-CD1 3.65Å; P58-L199 HydrophobicContact CB-CD2 3.66Å; P58-L199 HydrophobicContact CB-CG 4.18Å; P58-L199 HydrophobicContact CG-CD1 3.46Å; P58-L199 VanDerWaalsContact CG-CD1 3.46Å; P58-L199 HydrophobicContact CG-CD2 4.29Å; P58-L199 HydrophobicContact CG-CG 4.48Å; P58-Y252 HydrophobicContact CG-CD1 4.43Å; P58-Y252 HydrophobicContact CG-CE1 4.27Å; P58-F461 HydrophobicContact CG-CD2 3.83Å; P58-F461 HydrophobicContact CG-CE2 3.54Å
59P73.1Confident75.9Confident59 Ų5916.3 Ų16.338%0.3839%0.093SC..Hα-helixtrans-55-26-179.5-26.934.8000114.2V61 A62 N63 E458P59-V61 VanDerWaalsContact C-N 3.29Å; P59-V61 PolarHBondContact O-N 2.96Å; P59-A62 PolarHBondContact O-N 3.3Å; P59-N63 PolarHBondContact O-N 3.42Å; P59-N63 VanDerWaalsContact O-N 3.13Å; P59-N63 PolarHBondContact O-ND2 3.45Å; P59-E458 HydrophobicContact CG-CG 4.33Å
60S78.5Confident76.6Confident0 Ų016 Ų160%09%0.091CC..Hα-helixtrans-60.6-34.8175.460.60000113.1P58 S64 L199P58-S60 PolarHBondContact O-N 2.9Å; S60-S64 WeakPolarHBondContact O-CB 3.4Å; S60-S64 PolarHBondContact O-N 3.44Å; S60-S64 PolarHBondContact O-OG 3.28Å; S60-L199 WeakPolarHBondContact OG-CD1 3.36Å; S60-L199 VanDerWaalsContact OG-CG 3.24Å; S60-L199 WeakPolarHBondContact OG-CG 3.39Å
61V77.6Confident77.4Confident4 Ų415.1 Ų15.12%0.0249%0.087CC..Hα-helixtrans-73.1-40-178.6174.80000111.2L57 P58 P59 S64 F65 A203L57-V61 HydrophobicContact CB-CB 4.38Å; L57-V61 HydrophobicContact CB-CG1 4.5Å; L57-V61 HydrophobicContact CD1-CG1 4.13Å; P58-V61 PolarHBondContact O-N 3.39Å; P59-V61 VanDerWaalsContact C-N 3.29Å; P59-V61 PolarHBondContact O-N 2.96Å; V61-S64 PolarHBondContact O-OG 2.73Å; V61-S64 VanDerWaalsContact O-OG 3.11Å; V61-F65 PolarHBondContact O-N 2.97Å; V61-A203 HydrophobicContact CG2-CB 4.17Å
62A81Confident78.2Confident11 Ų1116.1 Ų16.19%0.0919%0.09CC..Hα-helixtrans-64.6-43174.800000111.3L49 I50 P59 F65 L66L49-A62 HydrophobicContact CD2-CB 3.87Å; L49-A62 HydrophobicContact CG-CB 3.8Å; I50-A62 HydrophobicContact CG1-CB 4.35Å; P59-A62 PolarHBondContact O-N 3.3Å; A62-F65 WeakPolarHBondContact O-CB 3.09Å; A62-F65 PolarHBondContact O-N 3.29Å; A62-L66 PolarHBondContact O-N 3.41Å; A62-L66 VanDerWaalsContact O-N 3.16Å
63N87.8Confident79.4Confident14 Ų1415 Ų158%0.0758%0.084CC..Hα-helixtrans-70.2-39.1177.5-73.2-56.7000112.3P59 F65 L66 Y67 V160P59-N63 PolarHBondContact O-N 3.42Å; P59-N63 VanDerWaalsContact O-N 3.13Å; P59-N63 PolarHBondContact O-ND2 3.45Å; N63-F65 VanDerWaalsContact C-N 3.28Å; N63-F65 PolarHBondContact O-N 3.07Å; N63-L66 PolarHBondContact O-N 3Å; N63-Y67 HydrophobicContact CB-CD2 4.25Å; N63-Y67 WeakPolarHBondContact O-CB 3.39Å; N63-Y67 VanDerWaalsContact O-CD2 3.23Å; N63-Y67 WeakPolarHBondContact O-CD2 3.42Å; N63-Y67 PolarHBondContact O-N 3.42Å; N63-V160 HydrophobicContact CB-CG2 3.71Å
64S88.8Confident80.9Confident0 Ų011.3 Ų11.30%06%0.064CC..Hα-helixtrans-65.8-33.8176.270.60000111.8S60 V61 L68 R69 A203 A207S60-S64 WeakPolarHBondContact O-CB 3.4Å; S60-S64 PolarHBondContact O-N 3.44Å; S60-S64 PolarHBondContact O-OG 3.28Å; V61-S64 PolarHBondContact O-OG 2.73Å; V61-S64 VanDerWaalsContact O-OG 3.11Å; S64-L68 WeakPolarHBondContact O-CA 3.46Å; S64-L68 VanDerWaalsContact O-CB 3.24Å; S64-L68 WeakPolarHBondContact O-CB 3.32Å; S64-L68 PolarHBondContact O-N 3.33Å; S64-R69 PolarHBondContact O-N 3.21Å; S64-A203 WeakPolarHBondContact CB-O 3.39Å; S64-A203 PolarHBondContact OG-O 2.84Å; S64-A207 WeakPolarHBondContact O-CB 3.2Å
65F88.3Confident82.7Confident0 Ų011.8 Ų11.80%07%0.065CC..Iπ-helixtrans-58.7-55.2169.9-172.4-113.9000111.8F8 A9 Q12 M20 A46 L49 V61 A62 N63 R69 L70F8-F65 HydrophobicContact CB-CE2 4.45Å; F8-F65 HydrophobicContact CB-CZ 4.38Å; A9-F65 HydrophobicContact CB-CB 4.41Å; A9-F65 HydrophobicContact CB-CD1 3.83Å; A9-F65 HydrophobicContact CB-CD2 4Å; A9-F65 HydrophobicContact CB-CE1 4.03Å; A9-F65 HydrophobicContact CB-CE2 4.17Å; A9-F65 HydrophobicContact CB-CG 3.8Å; A9-F65 HydrophobicContact CB-CZ 4.18Å; Q12-F65 HydrophobicContact CG-CD2 3.64Å; Q12-F65 HydrophobicContact CG-CE2 4.2Å; Q12-F65 VanDerWaalsContact NE2-CB 3.28Å; M20-F65 HydrophobicContact CE-CE2 3.54Å; M20-F65 HydrophobicContact CE-CZ 3.54Å; M20-F65 HydrophobicContact SD-CE2 4.06Å; A46-F65 HydrophobicContact CB-CD1 3.96Å; A46-F65 HydrophobicContact CB-CE1 3.8Å; L49-F65 HydrophobicContact CD2-CB 4.17Å; L49-F65 HydrophobicContact CD2-CD1 3.95Å; L49-F65 HydrophobicContact CD2-CG 4.31Å; V61-F65 PolarHBondContact O-N 2.97Å; A62-F65 WeakPolarHBondContact O-CB 3.09Å; A62-F65 PolarHBondContact O-N 3.29Å; N63-F65 VanDerWaalsContact C-N 3.28Å; N63-F65 PolarHBondContact O-N 3.07Å; F65-R69 HydrophobicContact CD2-CB 3.8Å; F65-R69 HydrophobicContact CD2-CG 3.82Å; F65-R69 HydrophobicContact CE2-CB 4.36Å; F65-R69 HydrophobicContact CE2-CG 3.97Å; F65-R69 WeakPolarHBondContact O-CB 3.38Å; F65-R69 PolarHBondContact O-N 3.03Å; F65-L70 WeakPolarHBondContact O-CB 3.45Å; F65-L70 PolarHBondContact O-N 3.36Å
66L91.6Very high84.5Confident0 Ų014.3 Ų14.30%07%0.073CC..Iπ-helixtrans-64.8-45.6-174.6178.162.6000111.4A46 F47 I50 A62 N63 L70 P71 F116A46-L66 HydrophobicContact CB-CD1 3.69Å; F47-L66 HydrophobicContact CD1-CD2 4.14Å; F47-L66 HydrophobicContact CD2-CD1 3.89Å; F47-L66 HydrophobicContact CD2-CD2 4.11Å; F47-L66 HydrophobicContact CE1-CD2 3.95Å; F47-L66 HydrophobicContact CE2-CD1 3.73Å; F47-L66 HydrophobicContact CE2-CD2 3.9Å; F47-L66 HydrophobicContact CE2-CG 4.46Å; F47-L66 HydrophobicContact CG-CD2 4.24Å; F47-L66 HydrophobicContact CZ-CD1 4.41Å; F47-L66 HydrophobicContact CZ-CD2 3.83Å; I50-L66 HydrophobicContact CD1-CB 4.14Å; I50-L66 HydrophobicContact CD1-CD2 3.25Å; I50-L66 HydrophobicContact CD1-CG 4.29Å; I50-L66 HydrophobicContact CG1-CD2 4.48Å; A62-L66 PolarHBondContact O-N 3.41Å; A62-L66 VanDerWaalsContact O-N 3.16Å; N63-L66 PolarHBondContact O-N 3Å; L66-L70 HydrophobicContact CD1-CD2 4.13Å; L66-P71 WeakPolarHBondContact O-CD 3.33Å; L66-F116 HydrophobicContact CD1-CD2 3.7Å; L66-F116 HydrophobicContact CD1-CE2 3.72Å; L66-F116 HydrophobicContact CD1-CG 4.39Å; L66-F116 HydrophobicContact CD1-CZ 4.42Å; L66-F116 HydrophobicContact CG-CD2 3.95Å; L66-F116 HydrophobicContact CG-CE2 4.35Å; L66-F116 WeakPolarHBondContact O-CD2 3.4Å; L66-F116 WeakPolarHBondContact O-CE2 3.48Å
67Y93.6Very high86.3Confident1 Ų113.4 Ų13.40%0.0047%0.068CC..Iπ-helixtrans-96.5-15.8-169.3-64.1-70.1000114.4I50 N63 T112 F115 F116 V119 I157I50-Y67 HydrophobicContact CD1-CE2 4.34Å; N63-Y67 HydrophobicContact CB-CD2 4.25Å; N63-Y67 WeakPolarHBondContact O-CB 3.39Å; N63-Y67 VanDerWaalsContact O-CD2 3.23Å; N63-Y67 WeakPolarHBondContact O-CD2 3.42Å; N63-Y67 PolarHBondContact O-N 3.42Å; Y67-T112 PolarHBondContact OH-O 2.69Å; Y67-F115 HydrophobicContact CE1-CB 4Å; Y67-F116 HydrophobicContact CD1-CB 4.32Å; Y67-F116 HydrophobicContact CD1-CD2 4.37Å; Y67-F116 HydrophobicContact CE1-CB 3.86Å; Y67-V119 WeakPolarHBondContact O-CG1 3.29Å; Y67-I157 HydrophobicContact CD1-CG2 4.1Å; Y67-I157 HydrophobicContact CD2-CG1 4.45Å; Y67-I157 HydrophobicContact CD2-CG2 3.91Å; Y67-I157 HydrophobicContact CE1-CD1 4.4Å; Y67-I157 HydrophobicContact CE1-CG2 4.03Å; Y67-I157 HydrophobicContact CE2-CB 4.33Å; Y67-I157 HydrophobicContact CE2-CD1 3.98Å; Y67-I157 HydrophobicContact CE2-CG1 3.71Å; Y67-I157 HydrophobicContact CE2-CG2 3.85Å; Y67-I157 HydrophobicContact CG-CG2 4.06Å; Y67-I157 VanDerWaalsContact OH-CD1 3.27Å; Y67-I157 WeakPolarHBondContact OH-CD1 3.25Å
68L93.2Very high87.9Confident3 Ų314.4 Ų14.42%0.0168%0.076CC..Iπ-helixtrans-118.9-50.4179.7-54.2175.6000111.8S64 R72 V160 L161 E164 A204 A207 T208S64-L68 WeakPolarHBondContact O-CA 3.46Å; S64-L68 VanDerWaalsContact O-CB 3.24Å; S64-L68 WeakPolarHBondContact O-CB 3.32Å; S64-L68 PolarHBondContact O-N 3.33Å; L68-R72 WeakPolarHBondContact O-CG 3.42Å; L68-R72 PolarHBondContact O-NH1 3.45Å; L68-V160 HydrophobicContact CD1-CG1 3.91Å; L68-V160 HydrophobicContact CG-CG1 4.12Å; L68-L161 HydrophobicContact CD2-CD2 3.98Å; L68-E164 HydrophobicContact CD1-CB 4.48Å; L68-E164 HydrophobicContact CD2-CB 4.44Å; L68-E164 WeakPolarHBondContact CD2-OE2 3.35Å; L68-A204 HydrophobicContact CD1-CB 3.91Å; L68-A207 HydrophobicContact CB-CB 3.81Å; L68-A207 HydrophobicContact CD1-CB 4.38Å; L68-T208 HydrophobicContact CB-CG2 4.35Å
69R91.3Very high88.9Confident0 Ų022.9 Ų22.90%011%0.107CC..Iπ-helixtrans-73.8-58.8-173.8-174.468.6170-151.1-8.3112.7T15 G16 M20 S64 F65 R72 V73 S206 A207 D209T15-R69 PolarHBondContact O-NH2 3.4Å; G16-R69 PolarHBondContact O-NH2 3.5Å; G16-R69 VanDerWaalsContact O-NH2 3.11Å; M20-R69 HydrophobicContact SD-CG 4.27Å; S64-R69 PolarHBondContact O-N 3.21Å; F65-R69 HydrophobicContact CD2-CB 3.8Å; F65-R69 HydrophobicContact CD2-CG 3.82Å; F65-R69 HydrophobicContact CE2-CB 4.36Å; F65-R69 HydrophobicContact CE2-CG 3.97Å; F65-R69 WeakPolarHBondContact O-CB 3.38Å; F65-R69 PolarHBondContact O-N 3.03Å; R69-R72 PolarHBondContact O-N 3.19Å; R69-R72 VanDerWaalsContact O-N 3.1Å; R69-V73 HydrophobicContact CG-CG2 4.2Å; R69-V73 WeakPolarHBondContact O-CG2 3.36Å; R69-V73 PolarHBondContact O-N 3.06Å; R69-S206 PolarHBondContact NH1-O 3.35Å; R69-A207 HydrophobicContact CB-CB 4.01Å; R69-A207 WeakPolarHBondContact CD-O 3.42Å; R69-A207 PolarHBondContact NH1-O 2.9Å; R69-D209 IonicContact CZ-OD1 2.99Å; R69-D209 IonicContact NH1-OD1 2.93Å; R69-D209 PolarHBondContact NH1-OD1 3.2Å; R69-D209 IonicContact NH1-OD2 3.42Å; R69-D209 IonicContact NH2-OD1 3.5Å; R69-D209 PolarHBondContact NH2-OD1 3.3Å
70L92.8Very high89.4Confident0 Ų023.9 Ų23.90%011%0.112CC..Hα-helixtrans-58.1-42.6-172.9179.265.5000112.6L42 L43 A46 F65 L66 R72 V73 L74 F116L42-L70 HydrophobicContact CB-CD1 4.25Å; L43-L70 HydrophobicContact CD2-CD2 4.15Å; A46-L70 HydrophobicContact CB-CD2 3.55Å; F65-L70 WeakPolarHBondContact O-CB 3.45Å; F65-L70 PolarHBondContact O-N 3.36Å; L66-L70 HydrophobicContact CD1-CD2 4.13Å; L70-R72 VanDerWaalsContact C-N 3.29Å; L70-R72 PolarHBondContact O-N 2.85Å; L70-V73 PolarHBondContact O-N 3.1Å; L70-L74 HydrophobicContact CD1-CD1 4.2Å; L70-L74 HydrophobicContact CD1-CD2 4.42Å; L70-L74 HydrophobicContact CD1-CG 3.98Å; L70-L74 HydrophobicContact CD2-CD1 4.48Å; L70-L74 HydrophobicContact CG-CD1 3.91Å; L70-L74 HydrophobicContact CG-CG 4.17Å; L70-L74 WeakPolarHBondContact O-CB 3.37Å; L70-L74 VanDerWaalsContact O-CG 3.31Å; L70-L74 WeakPolarHBondContact O-CG 3.42Å; L70-L74 PolarHBondContact O-N 2.96Å; L70-F116 HydrophobicContact CD2-CE2 4.3Å; L70-F116 HydrophobicContact CD2-CZ 4.15Å
71P94.8Very high89.3Confident0 Ų029.1 Ų29.10%014%0.137CC..Hα-helixtrans-55.6-42.6175.3-29.138.2000112.7L66 L74 Q75 F116 V119 L120 L123L66-P71 WeakPolarHBondContact O-CD 3.33Å; P71-L74 PolarHBondContact O-N 2.87Å; P71-Q75 WeakPolarHBondContact O-CB 3.47Å; P71-Q75 PolarHBondContact O-N 2.81Å; P71-F116 HydrophobicContact CG-CD2 4.38Å; P71-F116 HydrophobicContact CG-CE2 3.76Å; P71-V119 HydrophobicContact CB-CG1 3.98Å; P71-V119 HydrophobicContact CG-CG1 3.83Å; P71-L120 HydrophobicContact CB-CD2 3.9Å; P71-L120 HydrophobicContact CG-CD2 4.42Å; P71-L123 HydrophobicContact CB-CD1 3.44Å; P71-L123 VanDerWaalsContact CB-CD1 3.44Å
72R93.3Very high89.5Confident52 Ų5229.2 Ų29.220%0.19614%0.137CC..Hα-helixtrans-70.1-38.3178.3-66.5173.8173.175.71112.5I17 L68 R69 L70 Q75 K76 E164I17-R72 HydrophobicContact CD1-CB 3.95Å; L68-R72 WeakPolarHBondContact O-CG 3.42Å; L68-R72 PolarHBondContact O-NH1 3.45Å; R69-R72 PolarHBondContact O-N 3.19Å; R69-R72 VanDerWaalsContact O-N 3.1Å; L70-R72 VanDerWaalsContact C-N 3.29Å; L70-R72 PolarHBondContact O-N 2.85Å; R72-Q75 PolarHBondContact O-N 3.22Å; R72-K76 PolarHBondContact O-N 3.44Å; R72-E164 IonicContact CZ-OE1 3.23Å; R72-E164 IonicContact CZ-OE2 3.49Å; R72-E164 IonicContact NH1-OE2 3.5Å; R72-E164 IonicContact NH2-OE1 3.73Å; R72-E164 PolarHBondContact NH2-OE1 3.44Å; R72-E164 IonicContact NH2-OE2 2.79Å; R72-E164 PolarHBondContact NH2-OE2 2.87Å
73V91.7Very high89.7Confident0 Ų031.6 Ų31.60%015%0.152CC..Hα-helixtrans-61.4-47.7173.5172.70000110.2I17 M20 V21 R69 L70 K76 L77I17-V73 HydrophobicContact CG2-CG2 4.06Å; M20-V73 HydrophobicContact CE-CG1 4.16Å; M20-V73 HydrophobicContact CE-CG2 4.03Å; M20-V73 HydrophobicContact CG-CG2 4.3Å; M20-V73 HydrophobicContact SD-CG2 3.63Å; V21-V73 HydrophobicContact CG2-CG1 4.05Å; R69-V73 HydrophobicContact CG-CG2 4.2Å; R69-V73 WeakPolarHBondContact O-CG2 3.36Å; R69-V73 PolarHBondContact O-N 3.06Å; L70-V73 PolarHBondContact O-N 3.1Å; V73-K76 PolarHBondContact O-N 3.24Å; V73-L77 HydrophobicContact CG1-CD1 3.9Å; V73-L77 WeakPolarHBondContact O-CB 3.29Å; V73-L77 VanDerWaalsContact O-CG 3.29Å; V73-L77 WeakPolarHBondContact O-CG 3.49Å; V73-L77 PolarHBondContact O-N 3.29Å
74L93.5Very high89.8Confident1 Ų134.9 Ų34.91%0.00517%0.167CC..Hα-helixtrans-63.1-41.5176.5-67.2172.4000111.4V39 L42 L43 L70 P71 K76 L77 C78 L87 F116 M125V39-L74 HydrophobicContact CG1-CD2 4.19Å; V39-L74 HydrophobicContact CG2-CD2 4.47Å; L42-L74 HydrophobicContact CD1-CD2 4.33Å; L43-L74 HydrophobicContact CD2-CD1 4.02Å; L70-L74 HydrophobicContact CD1-CD1 4.2Å; L70-L74 HydrophobicContact CD1-CD2 4.42Å; L70-L74 HydrophobicContact CD1-CG 3.98Å; L70-L74 HydrophobicContact CD2-CD1 4.48Å; L70-L74 HydrophobicContact CG-CD1 3.91Å; L70-L74 HydrophobicContact CG-CG 4.17Å; L70-L74 WeakPolarHBondContact O-CB 3.37Å; L70-L74 VanDerWaalsContact O-CG 3.31Å; L70-L74 WeakPolarHBondContact O-CG 3.42Å; L70-L74 PolarHBondContact O-N 2.96Å; P71-L74 PolarHBondContact O-N 2.87Å; L74-K76 VanDerWaalsContact C-N 3.33Å; L74-K76 PolarHBondContact O-N 3.44Å; L74-L77 PolarHBondContact O-N 3.42Å; L74-C78 WeakPolarHBondContact O-CB 3.38Å; L74-C78 PolarHBondContact O-N 3.21Å; L74-C78 PolarHBondContact O-SG 3.35Å; L74-L87 HydrophobicContact CD1-CD1 4.22Å; L74-F116 HydrophobicContact CD1-CZ 4.17Å; L74-M125 HydrophobicContact CB-CE 3.7Å
75Q94.7Very high89.8Confident37 Ų3742.8 Ų42.817%0.17320%0.203CC..Hα-helixtrans-58.3-46.9177-167.3-173.451.800110.9P71 R72 C78 R79 L123 M125P71-Q75 WeakPolarHBondContact O-CB 3.47Å; P71-Q75 PolarHBondContact O-N 2.81Å; R72-Q75 PolarHBondContact O-N 3.22Å; Q75-C78 PolarHBondContact O-N 3.28Å; Q75-R79 WeakPolarHBondContact O-CG 3.13Å; Q75-R79 PolarHBondContact O-N 2.93Å; Q75-R79 VanDerWaalsContact O-N 3.12Å; Q75-L123 PolarHBondContact NE2-O 2.95Å; Q75-M125 VanDerWaalsContact CA-SD 3.57Å; Q75-M125 HydrophobicContact CB-CE 4.29Å; Q75-M125 HydrophobicContact CB-CG 4.32Å; Q75-M125 HydrophobicContact CB-SD 3.53Å; Q75-M125 VanDerWaalsContact CB-SD 3.53Å; Q75-M125 HydrophobicContact CG-CG 4.16Å; Q75-M125 HydrophobicContact CG-SD 4.03Å
76K91.9Very high90Very high72 Ų7243.4 Ų43.431%0.31321%0.208SC..Hα-helixtrans-66.5-41.7179-170.4161.5-177.8158.20111.7D18 V21 R72 V73 L74 C78 R79 T80D18-K76 IonicContact OD1-NZ 2.7Å; D18-K76 PolarHBondContact OD1-NZ 2.91Å; D18-K76 IonicContact OD2-NZ 3.66Å; D18-K76 PolarHBondContact OD2-NZ 3.49Å; V21-K76 HydrophobicContact CG1-CG 4.43Å; V21-K76 HydrophobicContact CG2-CB 4.02Å; V21-K76 HydrophobicContact CG2-CD 4.17Å; V21-K76 HydrophobicContact CG2-CG 4.13Å; R72-K76 PolarHBondContact O-N 3.44Å; V73-K76 PolarHBondContact O-N 3.24Å; L74-K76 VanDerWaalsContact C-N 3.33Å; L74-K76 PolarHBondContact O-N 3.44Å; K76-C78 PolarHBondContact O-N 3.14Å; K76-R79 PolarHBondContact O-N 2.96Å; K76-T80 WeakPolarHBondContact O-CG2 3.3Å; K76-T80 PolarHBondContact O-N 3.45Å; K76-T80 PolarHBondContact O-OG1 3.24Å
77L90.6Very high90.1Very high1 Ų143.4 Ų43.41%0.00521%0.208CC..Hα-helixtrans-60.7-41175.4-76168.6000112.9V21 V24 L25 W35 L42 V73 L74 R79 T80 E81 T82V21-L77 HydrophobicContact CG1-CD2 3.86Å; V21-L77 HydrophobicContact CG1-CG 4.32Å; V21-L77 HydrophobicContact CG2-CG 4.32Å; V24-L77 HydrophobicContact CB-CD1 4.45Å; V24-L77 HydrophobicContact CB-CD2 4.42Å; V24-L77 HydrophobicContact CG1-CD1 3.92Å; V24-L77 HydrophobicContact CG1-CD2 4.1Å; L25-L77 HydrophobicContact CD2-CD2 4.28Å; L25-L77 HydrophobicContact CG-CD2 4.17Å; W35-L77 HydrophobicContact CH2-CD2 4.13Å; W35-L77 HydrophobicContact CZ3-CD2 4.28Å; L42-L77 HydrophobicContact CD1-CD1 4.32Å; V73-L77 HydrophobicContact CG1-CD1 3.9Å; V73-L77 WeakPolarHBondContact O-CB 3.29Å; V73-L77 VanDerWaalsContact O-CG 3.29Å; V73-L77 WeakPolarHBondContact O-CG 3.49Å; V73-L77 PolarHBondContact O-N 3.29Å; L74-L77 PolarHBondContact O-N 3.42Å; L77-R79 VanDerWaalsContact C-N 3.31Å; L77-R79 PolarHBondContact O-N 2.92Å; L77-T80 PolarHBondContact O-N 3.15Å; L77-T80 PolarHBondContact O-OG1 3.02Å; L77-E81 PolarHBondContact O-N 3.27Å; L77-T82 WeakPolarHBondContact O-CB 3.48Å; L77-T82 PolarHBondContact O-N 2.98Å; L77-T82 PolarHBondContact O-OG1 3.45Å
78C90.3Very high90.2Very high38 Ų3844.1 Ų44.126%0.25721%0.211SC..Hα-helixtrans-69.1-28.8177.5-64.70000112.7L74 Q75 K76L74-C78 WeakPolarHBondContact O-CB 3.38Å; L74-C78 PolarHBondContact O-N 3.21Å; L74-C78 PolarHBondContact O-SG 3.35Å; Q75-C78 PolarHBondContact O-N 3.28Å; K76-C78 PolarHBondContact O-N 3.14Å
79R88.7Confident90.2Very high188 Ų18845.1 Ų45.171%0.70922%0.223SC*.Hα-helixtrans-75.9-23.5174.3-72.3176.8-179.9172.82.6113.4Q75 K76 L77Q75-R79 WeakPolarHBondContact O-CG 3.13Å; Q75-R79 PolarHBondContact O-N 2.93Å; Q75-R79 VanDerWaalsContact O-N 3.12Å; K76-R79 PolarHBondContact O-N 2.96Å; L77-R79 VanDerWaalsContact C-N 3.31Å; L77-R79 PolarHBondContact O-N 2.92Å
80T83.1Confident90.3Very high79 Ų7945.1 Ų45.149%0.48522%0.223SC..Hα-helixtrans-100.2-57.5-174.156.30000113.7K76 L77K76-T80 WeakPolarHBondContact O-CG2 3.3Å; K76-T80 PolarHBondContact O-N 3.45Å; K76-T80 PolarHBondContact O-OG1 3.24Å; L77-T80 PolarHBondContact O-N 3.15Å; L77-T80 PolarHBondContact O-OG1 3.02Å
81E77.2Confident90.4Very high110 Ų11045.1 Ų45.151%0.51422%0.223SC..THydrogen-bonded Turntrans-142.9-19.9-168.7-69.7-168.8-162.200114.8L25 W35 L77 P83L25-E81 HydrophobicContact CD2-CB 4.28Å; L25-E81 HydrophobicContact CD2-CG 4.21Å; L25-E81 WeakPolarHBondContact CD2-OE2 3.41Å; W35-E81 HydrophobicContact CH2-CB 4.42Å; W35-E81 HydrophobicContact CZ2-CB 3.62Å; W35-E81 PolarHBondContact NE1-O 3.44Å; L77-E81 PolarHBondContact O-N 3.27Å; E81-P83 WeakPolarHBondContact O-CD 3.13Å
82T80.2Confident90.4Very high6 Ų649.4 Ų49.44%0.03724%0.241CC..  trans-83.6122.6-173.3-54.60000110.2W35 V39 L77 H84W35-T82 HydrophobicContact CB-CG2 4.3Å; W35-T82 HydrophobicContact CD2-CG2 4.11Å; W35-T82 HydrophobicContact CE3-CG2 3.98Å; W35-T82 HydrophobicContact CG-CG2 4.28Å; W35-T82 WeakPolarHBondContact CH2-OG1 3.25Å; W35-T82 WeakPolarHBondContact CZ3-OG1 3.37Å; V39-T82 HydrophobicContact CG2-CG2 4.06Å; L77-T82 WeakPolarHBondContact O-CB 3.48Å; L77-T82 PolarHBondContact O-N 2.98Å; L77-T82 PolarHBondContact O-OG1 3.45Å; T82-H84 PolarHBondContact O-N 3.02Å
83P85.2Confident90.3Very high62 Ų6248.8 Ų48.840%0.40325%0.247SC..  trans-62.1136172.4-20.132.3000110.7W35 E81 E85 S86 L87W35-P83 VanDerWaalsContact CD1-CD 3.42Å; E81-P83 WeakPolarHBondContact O-CD 3.13Å; P83-E85 PolarHBondContact O-N 2.87Å; P83-S86 WeakPolarHBondContact O-CA 3.39Å; P83-S86 VanDerWaalsContact O-CB 3.28Å; P83-S86 WeakPolarHBondContact O-CB 3.49Å; P83-S86 PolarHBondContact O-N 3.09Å; P83-L87 PolarHBondContact O-N 3.48Å
84H90.2Very high90.3Very high83 Ų8348.8 Ų48.838%0.38425%0.248SC..Hα-helixtrans-52.9-38.3176.6-175.178.4000112.4T82 S86 L87 I88 M125 E130T82-H84 PolarHBondContact O-N 3.02Å; H84-S86 PolarHBondContact O-N 3.17Å; H84-L87 WeakPolarHBondContact O-CB 3.27Å; H84-L87 PolarHBondContact O-N 3.11Å; H84-I88 PolarHBondContact O-N 3.3Å; H84-I88 VanDerWaalsContact O-N 3.1Å; H84-M125 PolarHBondContact CE1-O 3.21Å; H84-E130 IonicContact CD2-OE1 3.05Å; H84-E130 IonicContact CE1-OE1 3.77Å; H84-E130 IonicContact CE1-OE2 3.35Å; H84-E130 IonicContact NE2-OE1 3.23Å; H84-E130 PolarHBondContact NE2-OE1 3.38Å; H84-E130 IonicContact NE2-OE2 2.68Å
85E90.3Very high90.2Very high165 Ų16548.8 Ų48.877%0.77125%0.247SC*.Hα-helixtrans-60-31.7175.9-62.6-176.4169.900113.5P83 G89P83-E85 PolarHBondContact O-N 2.87Å; E85-G89 PolarHBondContact O-N 2.94Å
86S91.9Very high89.8Confident13 Ų1349 Ų499%0.09126%0.26CS..Hα-helixtrans-70.5-34.9176.3-61.30000111.8W35 P83 H84 G90W35-S86 WeakPolarHBondContact CB-OG 3.08Å; P83-S86 WeakPolarHBondContact O-CA 3.39Å; P83-S86 VanDerWaalsContact O-CB 3.28Å; P83-S86 WeakPolarHBondContact O-CB 3.49Å; P83-S86 PolarHBondContact O-N 3.09Å; H84-S86 PolarHBondContact O-N 3.17Å; S86-G90 PolarHBondContact O-N 3.32Å
87L93.8Very high89.6Confident1 Ų147.5 Ų47.51%0.00526%0.257CS..Hα-helixtrans-63.1-52172.3173.767.6000110.7V39 L74 P83 H84 G89 G90 L91 M125V39-L87 HydrophobicContact CG1-CD1 4.08Å; L74-L87 HydrophobicContact CD1-CD1 4.22Å; P83-L87 PolarHBondContact O-N 3.48Å; H84-L87 WeakPolarHBondContact O-CB 3.27Å; H84-L87 PolarHBondContact O-N 3.11Å; L87-G89 VanDerWaalsContact C-N 3.34Å; L87-G89 PolarHBondContact O-N 2.9Å; L87-G90 PolarHBondContact O-N 3.47Å; L87-L91 HydrophobicContact CD1-CD1 4.23Å; L87-L91 HydrophobicContact CD1-CG 4.47Å; L87-L91 HydrophobicContact CG-CD1 4.12Å; L87-L91 WeakPolarHBondContact O-CG 3.44Å; L87-L91 PolarHBondContact O-N 3.4Å; L87-M125 HydrophobicContact CD1-CE 4.42Å; L87-M125 HydrophobicContact CD2-CB 4.35Å; L87-M125 HydrophobicContact CD2-CE 3.57Å
88I95.3Very high89.3Confident15 Ų1553 Ų538%0.07728%0.278CS..Hα-helixtrans-62.3-42.5179.2-57.8-54.2000110.9H84 G90 L91 K92 V126 E130H84-I88 PolarHBondContact O-N 3.3Å; H84-I88 VanDerWaalsContact O-N 3.1Å; I88-G90 VanDerWaalsContact C-N 3.34Å; I88-G90 PolarHBondContact O-N 2.9Å; I88-L91 HydrophobicContact CD1-CD1 4.42Å; I88-L91 PolarHBondContact O-N 3.18Å; I88-K92 HydrophobicContact CG2-CD 4.2Å; I88-K92 HydrophobicContact CG2-CG 4.38Å; I88-K92 WeakPolarHBondContact O-CB 3.36Å; I88-K92 WeakPolarHBondContact O-CG 3.45Å; I88-K92 PolarHBondContact O-N 2.88Å; I88-V126 HydrophobicContact CD1-CG1 4.45Å; I88-V126 HydrophobicContact CD1-CG2 4.36Å; I88-E130 HydrophobicContact CD1-CB 4.14Å; I88-E130 HydrophobicContact CD1-CG 4.08Å
89G93.7Very high89Confident25 Ų2555.9 Ų55.926%0.25830%0.298SS..Hα-helixtrans-59.2-42.917500000112.6E85 L87 A93E85-G89 PolarHBondContact O-N 2.94Å; L87-G89 VanDerWaalsContact C-N 3.34Å; L87-G89 PolarHBondContact O-N 2.9Å; G89-A93 WeakPolarHBondContact O-CB 3.39Å; G89-A93 PolarHBondContact O-N 2.95Å
90G92.6Very high88.7Confident0 Ų047.6 Ų47.60%027%0.268CS..Hα-helixtrans-63.9-42.4174.900000113.2S86 L87 I88 A93 L94S86-G90 PolarHBondContact O-N 3.32Å; L87-G90 PolarHBondContact O-N 3.47Å; I88-G90 VanDerWaalsContact C-N 3.34Å; I88-G90 PolarHBondContact O-N 2.9Å; G90-A93 PolarHBondContact O-N 3.36Å; G90-L94 PolarHBondContact O-N 3.28Å
91L95.3Very high88.9Confident0 Ų043.8 Ų43.80%025%0.245CC..Hα-helixtrans-65.4-43.2176.7-72.1167.9000112.3L43 L87 I88 A93 L94 A95 F116 L120 V126 I134L43-L91 HydrophobicContact CD1-CD2 3.85Å; L43-L91 HydrophobicContact CD1-CG 4.13Å; L43-L91 HydrophobicContact CD2-CD2 4.24Å; L87-L91 HydrophobicContact CD1-CD1 4.23Å; L87-L91 HydrophobicContact CD1-CG 4.47Å; L87-L91 HydrophobicContact CG-CD1 4.12Å; L87-L91 WeakPolarHBondContact O-CG 3.44Å; L87-L91 PolarHBondContact O-N 3.4Å; I88-L91 HydrophobicContact CD1-CD1 4.42Å; I88-L91 PolarHBondContact O-N 3.18Å; L91-A93 VanDerWaalsContact C-N 3.35Å; L91-L94 PolarHBondContact O-N 3.11Å; L91-A95 WeakPolarHBondContact O-CB 3.48Å; L91-A95 PolarHBondContact O-N 3.46Å; L91-F116 HydrophobicContact CD2-CD1 4.35Å; L91-F116 HydrophobicContact CD2-CE1 3.95Å; L91-L120 HydrophobicContact CD1-CD1 3.9Å; L91-L120 HydrophobicContact CD2-CD1 3.91Å; L91-V126 HydrophobicContact CD1-CG2 4Å; L91-I134 HydrophobicContact CB-CD1 3.75Å; L91-I134 HydrophobicContact CB-CG1 4.19Å; L91-I134 HydrophobicContact CD1-CD1 3.79Å; L91-I134 HydrophobicContact CG-CD1 4.35Å
92K94.5Very high89.2Confident89 Ų8941 Ų4139%0.38723%0.233SC..Hα-helixtrans-62.6-42.1174.7-71-177.7175.6177.90111.5I88 A95 G96 I134 I137I88-K92 HydrophobicContact CG2-CD 4.2Å; I88-K92 HydrophobicContact CG2-CG 4.38Å; I88-K92 WeakPolarHBondContact O-CB 3.36Å; I88-K92 WeakPolarHBondContact O-CG 3.45Å; I88-K92 PolarHBondContact O-N 2.88Å; K92-A95 PolarHBondContact O-N 3.17Å; K92-G96 PolarHBondContact O-N 3.29Å; K92-I134 HydrophobicContact CG-CG1 4.25Å; K92-I137 HydrophobicContact CB-CD1 3.76Å; K92-I137 HydrophobicContact CD-CD1 3.97Å; K92-I137 HydrophobicContact CG-CD1 3.64Å
93A91.1Very high89.3Confident39 Ų3942.8 Ų42.832%0.32225%0.249SC..Hα-helixtrans-61.2-4417500000111.6R40 G89 G90 L91 G96 V97R40-A93 HydrophobicContact CG-CB 4.09Å; G89-A93 WeakPolarHBondContact O-CB 3.39Å; G89-A93 PolarHBondContact O-N 2.95Å; G90-A93 PolarHBondContact O-N 3.36Å; L91-A93 VanDerWaalsContact C-N 3.35Å; A93-G96 PolarHBondContact O-N 3.46Å; A93-V97 WeakPolarHBondContact O-CG2 2.96Å
94L91.5Very high89.3Confident1 Ų139.9 Ų39.91%0.00523%0.23CC..Hα-helixtrans-61.8-44174.9178.169000111.9L43 F47 G90 L91 G96 V97 L100 L101 L113L43-L94 HydrophobicContact CB-CD2 4.16Å; F47-L94 HydrophobicContact CD2-CD1 4.34Å; F47-L94 HydrophobicContact CD2-CD2 3.76Å; F47-L94 HydrophobicContact CE2-CD2 3.49Å; F47-L94 VanDerWaalsContact CE2-CD2 3.49Å; F47-L94 HydrophobicContact CZ-CD2 4.21Å; G90-L94 PolarHBondContact O-N 3.28Å; L91-L94 PolarHBondContact O-N 3.11Å; L94-G96 PolarHBondContact O-N 2.9Å; L94-G96 VanDerWaalsContact O-N 3.16Å; L94-V97 WeakPolarHBondContact O-CB 3.01Å; L94-V97 PolarHBondContact O-N 3.06Å; L94-L100 HydrophobicContact CD1-CD2 4.49Å; L94-L101 HydrophobicContact CD1-CD2 4.43Å; L94-L101 HydrophobicContact CG-CD2 4.43Å; L94-L101 WeakPolarHBondContact O-CD1 3.4Å; L94-L113 HydrophobicContact CD2-CD1 3.83Å
95A91.4Very high89.1Confident0 Ų036 Ų360%021%0.212CC..Hα-helixtrans-57.3-30.3178.800000112.6L91 K92 V97 L113 I134 I137 R138L91-A95 WeakPolarHBondContact O-CB 3.48Å; L91-A95 PolarHBondContact O-N 3.46Å; K92-A95 PolarHBondContact O-N 3.17Å; A95-V97 VanDerWaalsContact C-N 3.34Å; A95-L113 HydrophobicContact CB-CD2 3.88Å; A95-I134 HydrophobicContact CB-CG2 4.09Å; A95-I137 HydrophobicContact CB-CB 4.14Å; A95-I137 HydrophobicContact CB-CG2 3.85Å; A95-R138 HydrophobicContact CB-CB 4.46Å
96G87.8Confident88.7Confident43 Ų4335 Ų3544%0.44321%0.211SC..THydrogen-bonded Turntrans-72-18172.900000115.2K92 A93 L94 R98K92-G96 PolarHBondContact O-N 3.29Å; A93-G96 PolarHBondContact O-N 3.46Å; L94-G96 PolarHBondContact O-N 2.9Å; L94-G96 VanDerWaalsContact O-N 3.16Å; G96-R98 VanDerWaalsContact C-N 3.34Å; G96-R98 PolarHBondContact O-N 3.49Å
97V87.1Confident88.2Confident40 Ų4038.7 Ų38.724%0.24223%0.225CC..  trans-82.575.9-178.3-168.80000111A93 L94 A95 S99 L100 L101A93-V97 WeakPolarHBondContact O-CG2 2.96Å; L94-V97 WeakPolarHBondContact O-CB 3.01Å; L94-V97 PolarHBondContact O-N 3.06Å; A95-V97 VanDerWaalsContact C-N 3.34Å; V97-S99 PolarHBondContact O-N 2.91Å; V97-L100 HydrophobicContact CG1-CB 3.81Å; V97-L101 PolarHBondContact O-N 3.14Å
98R84Confident87.6Confident116 Ų11639 Ų3944%0.43823%0.228SC..Hα-helixtrans-63-42.3-172.1-62.9179.6-176.2-163.9-4.4114.4G96 L100 L101 N102 E140G96-R98 VanDerWaalsContact C-N 3.34Å; G96-R98 PolarHBondContact O-N 3.49Å; R98-L100 VanDerWaalsContact C-N 3.33Å; R98-L100 PolarHBondContact O-N 3.03Å; R98-L101 PolarHBondContact O-N 2.67Å; R98-N102 VanDerWaalsContact O-CB 3.23Å; R98-N102 WeakPolarHBondContact O-CB 3.33Å; R98-N102 PolarHBondContact O-N 2.9Å; R98-N102 PolarHBondContact O-ND2 3.31Å; R98-N102 PolarHBondContact O-OD1 2.71Å; R98-E140 PolarHBondContact NH2-O 3.49Å
99S83.6Confident87Confident99 Ų9945.2 Ų45.269%0.69225%0.251SS*.Hα-helixtrans-59.5-44.1-176.150.40000112.1V97 A103V97-S99 PolarHBondContact O-N 2.91Å; S99-A103 WeakPolarHBondContact O-CB 3.41Å; S99-A103 PolarHBondContact O-N 3.29Å
100L83Confident86.5Confident13 Ų1344.6 Ų44.67%0.06824%0.242CC..Hα-helixtrans-67.3-53.2177.8177.960.7000111.6H44 F47 L48 L94 V97 R98 N102 A103 S104H44-L100 WeakPolarHBondContact CD2-CD2 3.41Å; F47-L100 HydrophobicContact CB-CD1 4.43Å; F47-L100 HydrophobicContact CB-CD2 3.73Å; F47-L100 HydrophobicContact CB-CG 4.14Å; L48-L100 HydrophobicContact CD2-CD1 3.77Å; L48-L100 HydrophobicContact CG-CD1 4.21Å; L48-L100 HydrophobicContact CG-CD2 4.31Å; L94-L100 HydrophobicContact CD1-CD2 4.49Å; V97-L100 HydrophobicContact CG1-CB 3.81Å; R98-L100 VanDerWaalsContact C-N 3.33Å; R98-L100 PolarHBondContact O-N 3.03Å; L100-N102 VanDerWaalsContact C-N 3.35Å; L100-N102 PolarHBondContact O-N 3.31Å; L100-A103 WeakPolarHBondContact O-CB 3.44Å; L100-A103 PolarHBondContact O-N 3.05Å; L100-S104 PolarHBondContact O-N 3.44Å; L100-S104 PolarHBondContact O-OG 2.95Å
101L87.2Confident86.3Confident0 Ų045.6 Ų45.60%025%0.248CC..Hα-helixtrans-65.7-37.4-175.3-65.8179.1000112.1F47 L94 V97 R98 A103 S104 D105 L113 R138F47-L101 HydrophobicContact CD1-CD2 3.77Å; F47-L101 HydrophobicContact CE1-CD2 3.67Å; F47-L101 HydrophobicContact CG-CD2 4.37Å; F47-L101 HydrophobicContact CZ-CD2 4.21Å; L94-L101 HydrophobicContact CD1-CD2 4.43Å; L94-L101 HydrophobicContact CG-CD2 4.43Å; L94-L101 WeakPolarHBondContact O-CD1 3.4Å; V97-L101 PolarHBondContact O-N 3.14Å; R98-L101 PolarHBondContact O-N 2.67Å; L101-A103 VanDerWaalsContact C-N 3.33Å; L101-A103 PolarHBondContact O-N 3.36Å; L101-S104 WeakPolarHBondContact O-CB 3.26Å; L101-S104 PolarHBondContact O-N 3.18Å; L101-D105 WeakPolarHBondContact O-CB 3.39Å; L101-D105 PolarHBondContact O-N 3.42Å; L101-L113 HydrophobicContact CD1-CB 4.4Å; L101-L113 HydrophobicContact CD1-CD2 3.88Å; L101-L113 HydrophobicContact CD2-CB 4.3Å; L101-R138 VanDerWaalsContact CB-CZ 3.45Å
102N84.4Confident86.1Confident51 Ų5145.7 Ų45.727%0.27325%0.248SC..Hα-helixtrans-64.5-38.5175.3-67.40.1000111.9R98 L100 L106 R138R98-N102 VanDerWaalsContact O-CB 3.23Å; R98-N102 WeakPolarHBondContact O-CB 3.33Å; R98-N102 PolarHBondContact O-N 2.9Å; R98-N102 PolarHBondContact O-ND2 3.31Å; R98-N102 PolarHBondContact O-OD1 2.71Å; L100-N102 VanDerWaalsContact C-N 3.35Å; L100-N102 PolarHBondContact O-N 3.31Å; N102-L106 WeakPolarHBondContact O-CB 3.4Å; N102-L106 PolarHBondContact O-N 3.21Å; N102-R138 PolarHBondContact OD1-NH1 3.27Å; N102-R138 PolarHBondContact OD1-NH2 3.38Å
103A82.3Confident86Confident44 Ų4441.5 Ų41.536%0.36423%0.23SC..Hα-helixtrans-65.7-42.1174.100000111.3H51 S99 L100 L101 L106 K107H51-A103 PolarHBondContact CE1-O 3.27Å; S99-A103 WeakPolarHBondContact O-CB 3.41Å; S99-A103 PolarHBondContact O-N 3.29Å; L100-A103 WeakPolarHBondContact O-CB 3.44Å; L100-A103 PolarHBondContact O-N 3.05Å; L101-A103 VanDerWaalsContact C-N 3.33Å; L101-A103 PolarHBondContact O-N 3.36Å; A103-L106 PolarHBondContact O-N 2.94Å; A103-K107 WeakPolarHBondContact O-CB 3.5Å; A103-K107 PolarHBondContact O-N 2.71Å
104S85.1Confident86.1Confident0 Ų042.3 Ų42.30%023%0.227CC..Hα-helixtrans-59.8-46.1175.6-57.20000111.6H51 L100 L101 L106 K107 A108 T112H51-S104 VanDerWaalsContact CE1-CA 3.43Å; H51-S104 WeakPolarHBondContact CE1-CA 3.5Å; H51-S104 PolarHBondContact CE1-N 3.44Å; H51-S104 VanDerWaalsContact CE1-N 3.3Å; H51-S104 VanDerWaalsContact NE2-CA 3.27Å; H51-S104 WeakPolarHBondContact NE2-CA 3.38Å; H51-S104 PolarHBondContact NE2-N 2.78Å; H51-S104 PolarHBondContact NE2-OG 3.38Å; L100-S104 PolarHBondContact O-N 3.44Å; L100-S104 PolarHBondContact O-OG 2.95Å; L101-S104 WeakPolarHBondContact O-CB 3.26Å; L101-S104 PolarHBondContact O-N 3.18Å; S104-L106 PolarHBondContact O-N 3.36Å; S104-K107 PolarHBondContact O-N 2.82Å; S104-A108 WeakPolarHBondContact O-CB 3.43Å; S104-A108 PolarHBondContact O-N 2.95Å; S104-T112 VanDerWaalsContact CB-OG1 3.3Å; S104-T112 WeakPolarHBondContact CB-OG1 3.38Å; S104-T112 WeakPolarHBondContact O-CG2 3.17Å
105D85.4Confident86.1Confident3 Ų344.6 Ų44.62%0.01624%0.237CC..Hα-helixtrans-66.2-40.6-178-68.4-6000111.9L101 R109 C110 T112 R138 Y149L101-D105 WeakPolarHBondContact O-CB 3.39Å; L101-D105 PolarHBondContact O-N 3.42Å; D105-R109 WeakPolarHBondContact O-CA 3.44Å; D105-R109 PolarHBondContact O-N 3.33Å; D105-C110 WeakPolarHBondContact CA-O 3.3Å; D105-C110 VanDerWaalsContact CB-O 3.26Å; D105-C110 WeakPolarHBondContact CB-O 3.49Å; D105-C110 VanDerWaalsContact CG-O 3.29Å; D105-C110 PolarHBondContact O-N 3.26Å; D105-C110 VanDerWaalsContact OD1-O 3.11Å; D105-T112 WeakPolarHBondContact OD1-CB 3.46Å; D105-T112 PolarHBondContact OD1-N 2.68Å; D105-T112 PolarHBondContact OD1-OG1 3.43Å; D105-R138 IonicContact OD2-CZ 3.43Å; D105-R138 IonicContact OD2-NE 3.31Å; D105-R138 IonicContact OD2-NH2 3.32Å; D105-R138 PolarHBondContact OD2-NH2 3.49Å; D105-Y149 WeakPolarHBondContact CB-OH 3.32Å
106L82.9Confident86.3Confident142 Ų14244.6 Ų44.674%0.74324%0.237SC*.Hα-helixtrans-63.4-42173.8-176.165.6000111.9N102 A103 S104N102-L106 WeakPolarHBondContact O-CB 3.4Å; N102-L106 PolarHBondContact O-N 3.21Å; A103-L106 PolarHBondContact O-N 2.94Å; S104-L106 PolarHBondContact O-N 3.36Å
107K80.9Confident86.6Confident92 Ų9242.6 Ų42.640%0.422%0.216SC..Hα-helixtrans-67.5-43.8179.4-174.6171.9-177173.40111.8I50 N53 A103 S104I50-K107 HydrophobicContact CG2-CD 4.42Å; I50-K107 PolarHBondContact O-NZ 3.49Å; N53-K107 PolarHBondContact OD1-NZ 3.29Å; A103-K107 WeakPolarHBondContact O-CB 3.5Å; A103-K107 PolarHBondContact O-N 2.71Å; S104-K107 PolarHBondContact O-N 2.82Å
108A81Confident87Confident8 Ų843.7 Ų43.77%0.06622%0.221CC..Hα-helixtrans-87.9-8.8-177.200000113.9S104 C110 T112 I157S104-A108 WeakPolarHBondContact O-CB 3.43Å; S104-A108 PolarHBondContact O-N 2.95Å; A108-C110 PolarHBondContact O-N 2.94Å; A108-C110 PolarHBondContact O-SG 3.31Å; A108-C110 VanDerWaalsContact O-SG 3.33Å; A108-T112 HydrophobicContact CB-CG2 3.52Å; A108-I157 HydrophobicContact CB-CD1 4.2Å
109R82Confident87.5Confident144 Ų14438.9 Ų38.954%0.54320%0.204SC..THydrogen-bonded Turntrans53.537.6-174-55.8179.5-178.7-178.7-2.3113.3D105 Y149 S153D105-R109 WeakPolarHBondContact O-CA 3.44Å; D105-R109 PolarHBondContact O-N 3.33Å; R109-Y149 VanDerWaalsContact C-CE1 3.45Å; R109-Y149 HydrophobicContact CB-CD1 4.11Å; R109-Y149 WeakPolarHBondContact O-CD1 3.39Å; R109-S153 PolarHBondContact NH1-OG 3.43Å
110C84.1Confident88.1Confident12 Ų1234.1 Ų34.18%0.08117%0.171CC..SBendtrans-163.5171.3179.358.10000111D105 A108 T112 F115 P155 I157D105-C110 WeakPolarHBondContact CA-O 3.3Å; D105-C110 VanDerWaalsContact CB-O 3.26Å; D105-C110 WeakPolarHBondContact CB-O 3.49Å; D105-C110 VanDerWaalsContact CG-O 3.29Å; D105-C110 PolarHBondContact O-N 3.26Å; D105-C110 VanDerWaalsContact OD1-O 3.11Å; A108-C110 PolarHBondContact O-N 2.94Å; A108-C110 PolarHBondContact O-SG 3.31Å; A108-C110 VanDerWaalsContact O-SG 3.33Å; C110-T112 PolarHBondContact O-N 3.48Å; C110-T112 VanDerWaalsContact O-N 3.09Å; C110-F115 HydrophobicContact CB-CD2 4.33Å; C110-F115 HydrophobicContact CB-CE2 3.88Å; C110-P155 HydrophobicContact CB-CB 4.25Å; C110-I157 WeakPolarHBondContact SG-CD1 3.27Å
111N88.2Confident88.6Confident22 Ų2234 Ų3412%0.11817%0.172CC..  trans-77.494.5173.7-171.7-33.8000110.8L113 Q114 F115 M135 F139N111-L113 VanDerWaalsContact C-N 3.3Å; N111-L113 PolarHBondContact O-N 3.33Å; N111-L113 PolarHBondContact OD1-N 3.45Å; N111-Q114 HydrophobicContact CB-CB 3.87Å; N111-Q114 PolarHBondContact O-N 2.91Å; N111-Q114 WeakPolarHBondContact OD1-CB 3.25Å; N111-Q114 PolarHBondContact OD1-N 2.81Å; N111-F115 WeakPolarHBondContact O-CD2 3.43Å; N111-F115 PolarHBondContact O-N 3.28Å; N111-F115 VanDerWaalsContact O-N 3.17Å; N111-M135 WeakPolarHBondContact ND2-CE 3.49Å; N111-F139 WeakPolarHBondContact ND2-CZ 3.43Å
112T90.3Very high88.9Confident2 Ų240.3 Ų40.31%0.01221%0.206CC..Hα-helixtrans-62.4-35.5-17554.80000113.2Y67 S104 D105 A108 C110 F116 I157Y67-T112 PolarHBondContact OH-O 2.69Å; S104-T112 VanDerWaalsContact CB-OG1 3.3Å; S104-T112 WeakPolarHBondContact CB-OG1 3.38Å; S104-T112 WeakPolarHBondContact O-CG2 3.17Å; D105-T112 WeakPolarHBondContact OD1-CB 3.46Å; D105-T112 PolarHBondContact OD1-N 2.68Å; D105-T112 PolarHBondContact OD1-OG1 3.43Å; A108-T112 HydrophobicContact CB-CG2 3.52Å; C110-T112 PolarHBondContact O-N 3.48Å; C110-T112 VanDerWaalsContact O-N 3.09Å; T112-F116 PolarHBondContact O-N 2.77Å; T112-I157 HydrophobicContact CG2-CD1 4.19Å
113L93.1Very high89.4Confident0 Ų039.6 Ų39.60%020%0.202CC..Hα-helixtrans-68.6-43.8176.4-179.562.9000111.5F47 L94 A95 L101 N111 F115 F116 V117 I134 R138F47-L113 HydrophobicContact CZ-CD1 4.44Å; L94-L113 HydrophobicContact CD2-CD1 3.83Å; A95-L113 HydrophobicContact CB-CD2 3.88Å; L101-L113 HydrophobicContact CD1-CB 4.4Å; L101-L113 HydrophobicContact CD1-CD2 3.88Å; L101-L113 HydrophobicContact CD2-CB 4.3Å; N111-L113 VanDerWaalsContact C-N 3.3Å; N111-L113 PolarHBondContact O-N 3.33Å; N111-L113 PolarHBondContact OD1-N 3.45Å; L113-F115 VanDerWaalsContact C-N 3.34Å; L113-F115 PolarHBondContact O-N 2.63Å; L113-F116 PolarHBondContact O-N 2.89Å; L113-V117 HydrophobicContact CD1-CG2 4.06Å; L113-V117 HydrophobicContact CG-CG2 4.26Å; L113-V117 WeakPolarHBondContact O-CB 2.83Å; L113-V117 WeakPolarHBondContact O-CG2 3.29Å; L113-V117 PolarHBondContact O-N 3.29Å; L113-I134 HydrophobicContact CD2-CG2 4.2Å; L113-R138 HydrophobicContact CD2-CB 4.16Å; L113-R138 HydrophobicContact CD2-CG 4.18Å
114Q92Very high89.8Confident56 Ų5645 Ų4526%0.26223%0.225SC..Hα-helixtrans-58.9-46.1177.3-178.970.249.400111.1N111 F116 V117 N118 M135N111-Q114 HydrophobicContact CB-CB 3.87Å; N111-Q114 PolarHBondContact O-N 2.91Å; N111-Q114 WeakPolarHBondContact OD1-CB 3.25Å; N111-Q114 PolarHBondContact OD1-N 2.81Å; Q114-F116 VanDerWaalsContact C-N 3.32Å; Q114-F116 PolarHBondContact O-N 2.94Å; Q114-V117 PolarHBondContact O-N 2.95Å; Q114-N118 PolarHBondContact NE2-OD1 3.21Å; Q114-N118 WeakPolarHBondContact O-CB 3.15Å; Q114-N118 PolarHBondContact O-N 2.94Å; Q114-N118 PolarHBondContact O-OD1 3.47Å; Q114-M135 HydrophobicContact CB-CE 4.18Å; Q114-M135 HydrophobicContact CB-SD 4.37Å; Q114-M135 PolarHBondContact OE1-SD 3.19Å
115F91.8Very high90.2Very high50 Ų5045.6 Ų45.622%0.21923%0.228CC..Hα-helixtrans-58.6-44.7176.6-89.3-85000111.8Y67 C110 N111 L113 N118 V119 P155 I157 N158 L161Y67-F115 HydrophobicContact CE1-CB 4Å; C110-F115 HydrophobicContact CB-CD2 4.33Å; C110-F115 HydrophobicContact CB-CE2 3.88Å; N111-F115 WeakPolarHBondContact O-CD2 3.43Å; N111-F115 PolarHBondContact O-N 3.28Å; N111-F115 VanDerWaalsContact O-N 3.17Å; L113-F115 VanDerWaalsContact C-N 3.34Å; L113-F115 PolarHBondContact O-N 2.63Å; F115-N118 PolarHBondContact O-N 3.24Å; F115-V119 WeakPolarHBondContact O-CG2 3.47Å; F115-V119 PolarHBondContact O-N 3.05Å; F115-V119 VanDerWaalsContact O-N 3.12Å; F115-P155 HydrophobicContact CZ-CG 4.3Å; F115-I157 HydrophobicContact CB-CD1 4.29Å; F115-I157 HydrophobicContact CB-CG2 4.23Å; F115-I157 HydrophobicContact CD1-CG2 3.94Å; F115-I157 HydrophobicContact CD2-CD1 4.29Å; F115-I157 HydrophobicContact CG-CD1 4.25Å; F115-I157 HydrophobicContact CG-CG2 4.17Å; F115-N158 WeakPolarHBondContact CE1-OD1 3.43Å; F115-L161 HydrophobicContact CD1-CD1 4.41Å
116F95.2Very high90.6Very high0 Ų045.8 Ų45.80%023%0.229CC..Hα-helixtrans-64.5-44.2178.8-179.9-104.7000112L43 F47 L66 Y67 L70 P71 L74 L91 T112 L113 Q114 N118 V119 L120L43-F116 HydrophobicContact CD2-CD1 4.45Å; L43-F116 HydrophobicContact CD2-CE1 3.33Å; L43-F116 HydrophobicContact CD2-CZ 3.48Å; L43-F116 VanDerWaalsContact CD2-CZ 3.48Å; F47-F116 HydrophobicContact CE2-CD1 4.41Å; F47-F116 HydrophobicContact CE2-CG 4.42Å; F47-F116 HydrophobicContact CZ-CB 4.22Å; F47-F116 HydrophobicContact CZ-CG 4.47Å; L66-F116 HydrophobicContact CD1-CD2 3.7Å; L66-F116 HydrophobicContact CD1-CE2 3.72Å; L66-F116 HydrophobicContact CD1-CG 4.39Å; L66-F116 HydrophobicContact CD1-CZ 4.42Å; L66-F116 HydrophobicContact CG-CD2 3.95Å; L66-F116 HydrophobicContact CG-CE2 4.35Å; L66-F116 WeakPolarHBondContact O-CD2 3.4Å; L66-F116 WeakPolarHBondContact O-CE2 3.48Å; Y67-F116 HydrophobicContact CD1-CB 4.32Å; Y67-F116 HydrophobicContact CD1-CD2 4.37Å; Y67-F116 HydrophobicContact CE1-CB 3.86Å; L70-F116 HydrophobicContact CD2-CE2 4.3Å; L70-F116 HydrophobicContact CD2-CZ 4.15Å; P71-F116 HydrophobicContact CG-CD2 4.38Å; P71-F116 HydrophobicContact CG-CE2 3.76Å; L74-F116 HydrophobicContact CD1-CZ 4.17Å; L91-F116 HydrophobicContact CD2-CD1 4.35Å; L91-F116 HydrophobicContact CD2-CE1 3.95Å; T112-F116 PolarHBondContact O-N 2.77Å; L113-F116 PolarHBondContact O-N 2.89Å; Q114-F116 VanDerWaalsContact C-N 3.32Å; Q114-F116 PolarHBondContact O-N 2.94Å; F116-N118 VanDerWaalsContact C-N 3.31Å; F116-N118 PolarHBondContact O-N 3.01Å; F116-V119 WeakPolarHBondContact O-CB 3.28Å; F116-V119 PolarHBondContact O-N 2.84Å; F116-L120 HydrophobicContact CD1-CD1 4.06Å; F116-L120 HydrophobicContact CD1-CG 4.48Å; F116-L120 HydrophobicContact CE1-CD1 3.56Å; F116-L120 HydrophobicContact CE1-CG 4.12Å; F116-L120 HydrophobicContact CZ-CD1 4.1Å; F116-L120 HydrophobicContact CZ-CD2 4.25Å; F116-L120 HydrophobicContact CZ-CG 4.29Å; F116-L120 WeakPolarHBondContact O-CG 3.21Å; F116-L120 PolarHBondContact O-N 3.24Å
117V95.4Very high91.1Very high0 Ų042.7 Ų42.70%021%0.213CC..Hα-helixtrans-64.9-34.6177.2170.80000111.7L113 Q114 L120 G121 K131 I134L113-V117 HydrophobicContact CD1-CG2 4.06Å; L113-V117 HydrophobicContact CG-CG2 4.26Å; L113-V117 WeakPolarHBondContact O-CB 2.83Å; L113-V117 WeakPolarHBondContact O-CG2 3.29Å; L113-V117 PolarHBondContact O-N 3.29Å; Q114-V117 PolarHBondContact O-N 2.95Å; V117-L120 PolarHBondContact O-N 3.45Å; V117-G121 PolarHBondContact O-N 3.21Å; V117-K131 HydrophobicContact CG1-CB 4.01Å; V117-K131 HydrophobicContact CG1-CD 4.17Å; V117-K131 HydrophobicContact CG1-CG 3.56Å; V117-I134 HydrophobicContact CG2-CG2 4.3Å
118N94.5Very high91.7Very high63 Ų6344 Ų4434%0.33723%0.225SC..Hα-helixtrans-63-44.8173.3-71.4-8.7000111.3Q114 F115 F116 L120 G121 D122Q114-N118 PolarHBondContact NE2-OD1 3.21Å; Q114-N118 WeakPolarHBondContact O-CB 3.15Å; Q114-N118 PolarHBondContact O-N 2.94Å; Q114-N118 PolarHBondContact O-OD1 3.47Å; F115-N118 PolarHBondContact O-N 3.24Å; F116-N118 VanDerWaalsContact C-N 3.31Å; F116-N118 PolarHBondContact O-N 3.01Å; N118-L120 VanDerWaalsContact C-N 3.3Å; N118-L120 PolarHBondContact O-N 3.5Å; N118-G121 CarbonylContact O-C 3.48Å; N118-G121 VanDerWaalsContact O-CA 3.32Å; N118-G121 WeakPolarHBondContact O-CA 3.43Å; N118-G121 PolarHBondContact O-N 3.3Å; N118-D122 PolarHBondContact O-N 3Å
119V94.7Very high92.3Very high15 Ų1551.4 Ų51.49%0.09126%0.258CS..Hα-helixtrans-60.1-40.5175.1174.80000111.6Y67 P71 F115 F116 G121 D122 L123 L161Y67-V119 WeakPolarHBondContact O-CG1 3.29Å; P71-V119 HydrophobicContact CB-CG1 3.98Å; P71-V119 HydrophobicContact CG-CG1 3.83Å; F115-V119 WeakPolarHBondContact O-CG2 3.47Å; F115-V119 PolarHBondContact O-N 3.05Å; F115-V119 VanDerWaalsContact O-N 3.12Å; F116-V119 WeakPolarHBondContact O-CB 3.28Å; F116-V119 PolarHBondContact O-N 2.84Å; V119-G121 VanDerWaalsContact C-N 3.27Å; V119-G121 PolarHBondContact O-N 2.94Å; V119-D122 PolarHBondContact O-N 2.82Å; V119-L123 HydrophobicContact CG1-CD1 4.46Å; V119-L123 WeakPolarHBondContact O-CG 3.49Å; V119-L123 PolarHBondContact O-N 3.41Å; V119-L161 HydrophobicContact CG2-CD1 4.41Å; V119-L161 HydrophobicContact CG2-CD2 3.87Å
120L96Very high92.9Very high0 Ų046.2 Ų46.20%024%0.24CC..Hα-helixtrans-63.8-35.5173.6-65.1179.7000111.9P71 L91 F116 V117 N118 L123 D124 M125 V126P71-L120 HydrophobicContact CB-CD2 3.9Å; P71-L120 HydrophobicContact CG-CD2 4.42Å; L91-L120 HydrophobicContact CD1-CD1 3.9Å; L91-L120 HydrophobicContact CD2-CD1 3.91Å; F116-L120 HydrophobicContact CD1-CD1 4.06Å; F116-L120 HydrophobicContact CD1-CG 4.48Å; F116-L120 HydrophobicContact CE1-CD1 3.56Å; F116-L120 HydrophobicContact CE1-CG 4.12Å; F116-L120 HydrophobicContact CZ-CD1 4.1Å; F116-L120 HydrophobicContact CZ-CD2 4.25Å; F116-L120 HydrophobicContact CZ-CG 4.29Å; F116-L120 WeakPolarHBondContact O-CG 3.21Å; F116-L120 PolarHBondContact O-N 3.24Å; V117-L120 PolarHBondContact O-N 3.45Å; N118-L120 VanDerWaalsContact C-N 3.3Å; N118-L120 PolarHBondContact O-N 3.5Å; L120-L123 PolarHBondContact O-N 2.82Å; L120-D124 PolarHBondContact O-N 3.24Å; L120-M125 HydrophobicContact CB-CB 4.31Å; L120-M125 HydrophobicContact CD2-CE 4.18Å; L120-M125 HydrophobicContact CD2-SD 3.74Å; L120-M125 WeakPolarHBondContact O-CB 3.48Å; L120-M125 PolarHBondContact O-N 3.43Å; L120-V126 HydrophobicContact CB-CG2 3.86Å; L120-V126 HydrophobicContact CD1-CG2 4.17Å
121G94.9Very high93.4Very high9 Ų947.4 Ų47.49%0.09324%0.244CC..Hα-helixtrans-62.4-45.4171.900000113V117 N118 V119 L123 D124V117-G121 PolarHBondContact O-N 3.21Å; N118-G121 CarbonylContact O-C 3.48Å; N118-G121 VanDerWaalsContact O-CA 3.32Å; N118-G121 WeakPolarHBondContact O-CA 3.43Å; N118-G121 PolarHBondContact O-N 3.3Å; V119-G121 VanDerWaalsContact C-N 3.27Å; V119-G121 PolarHBondContact O-N 2.94Å; G121-L123 PolarHBondContact O-N 3.46Å; G121-D124 WeakPolarHBondContact O-CA 3.49Å; G121-D124 PolarHBondContact O-N 3.19Å
122D93.5Very high93.7Very high134 Ų13449.2 Ų49.272%0.71726%0.261SS*.Hα-helixtrans-64.5-20.7177.5-62.8-22.4000112.5N118 V119N118-D122 PolarHBondContact O-N 3Å; V119-D122 PolarHBondContact O-N 2.82Å
123L93.2Very high93.8Very high36 Ų3650.6 Ų50.619%0.18827%0.273CS..THydrogen-bonded Turntrans-94.410.8173.7-67.3177.1000113.6P71 Q75 V119 L120 G121 M125P71-L123 HydrophobicContact CB-CD1 3.44Å; P71-L123 VanDerWaalsContact CB-CD1 3.44Å; Q75-L123 PolarHBondContact NE2-O 2.95Å; V119-L123 HydrophobicContact CG1-CD1 4.46Å; V119-L123 WeakPolarHBondContact O-CG 3.49Å; V119-L123 PolarHBondContact O-N 3.41Å; L120-L123 PolarHBondContact O-N 2.82Å; G121-L123 PolarHBondContact O-N 3.46Å; L123-M125 HydrophobicContact CB-CG 4Å; L123-M125 HydrophobicContact CB-SD 4.29Å; L123-M125 HydrophobicContact CD1-SD 4.47Å; L123-M125 PolarHBondContact O-N 3.43Å
124D92.2Very high93.9Very high157 Ų15750.6 Ų50.684%0.8427%0.273SS*.THydrogen-bonded Turntrans56.228.7-177.3-59.9-52.2000113.9L120 G121L120-D124 PolarHBondContact O-N 3.24Å; G121-D124 WeakPolarHBondContact O-CA 3.49Å; G121-D124 PolarHBondContact O-N 3.19Å
125M92.8Very high93.9Very high13 Ų1348.6 Ų48.66%0.06426%0.264CS..SBendtrans-93.4-18.5-178.8-61.5-175.960.100113.9L74 Q75 H84 L87 L120 L123L74-M125 HydrophobicContact CB-CE 3.7Å; Q75-M125 VanDerWaalsContact CA-SD 3.57Å; Q75-M125 HydrophobicContact CB-CE 4.29Å; Q75-M125 HydrophobicContact CB-CG 4.32Å; Q75-M125 HydrophobicContact CB-SD 3.53Å; Q75-M125 VanDerWaalsContact CB-SD 3.53Å; Q75-M125 HydrophobicContact CG-CG 4.16Å; Q75-M125 HydrophobicContact CG-SD 4.03Å; H84-M125 PolarHBondContact CE1-O 3.21Å; L87-M125 HydrophobicContact CD1-CE 4.42Å; L87-M125 HydrophobicContact CD2-CB 4.35Å; L87-M125 HydrophobicContact CD2-CE 3.57Å; L120-M125 HydrophobicContact CB-CB 4.31Å; L120-M125 HydrophobicContact CD2-CE 4.18Å; L120-M125 HydrophobicContact CD2-SD 3.74Å; L120-M125 WeakPolarHBondContact O-CB 3.48Å; L120-M125 PolarHBondContact O-N 3.43Å; L123-M125 HydrophobicContact CB-CG 4Å; L123-M125 HydrophobicContact CB-SD 4.29Å; L123-M125 HydrophobicContact CD1-SD 4.47Å; L123-M125 PolarHBondContact O-N 3.43Å
126V94.4Very high93.9Very high6 Ų652.2 Ų52.24%0.03628%0.282CS..SBendtrans-141.9125.6-177.7-174.90000108.7I88 L91 L120 E130 K131 I134I88-V126 HydrophobicContact CD1-CG1 4.45Å; I88-V126 HydrophobicContact CD1-CG2 4.36Å; L91-V126 HydrophobicContact CD1-CG2 4Å; L120-V126 HydrophobicContact CB-CG2 3.86Å; L120-V126 HydrophobicContact CD1-CG2 4.17Å; V126-E130 WeakPolarHBondContact CA-OE2 3.39Å; V126-E130 HydrophobicContact CG1-CB 3.49Å; V126-E130 VanDerWaalsContact CG1-CB 3.49Å; V126-K131 HydrophobicContact CB-CG 4.38Å; V126-K131 HydrophobicContact CG1-CG 3.68Å; V126-K131 VanDerWaalsContact O-CE 3.3Å; V126-K131 WeakPolarHBondContact O-CE 3.28Å; V126-I134 HydrophobicContact CG1-CD1 4.33Å
127N93.6Very high93.7Very high77 Ų7754.2 Ų54.241%0.41229%0.292SS..  trans-83.4165.6176.869.249.3000111.8Q129 E130 K131N127-Q129 VanDerWaalsContact C-N 3.26Å; N127-Q129 PolarHBondContact O-N 3.34Å; N127-Q129 WeakPolarHBondContact OD1-CB 3.24Å; N127-Q129 PolarHBondContact OD1-N 3.11Å; N127-E130 PolarHBondContact N-OE2 3.36Å; N127-E130 PolarHBondContact ND2-OE2 2.98Å; N127-E130 PolarHBondContact O-N 3.13Å; N127-E130 VanDerWaalsContact O-N 3.13Å; N127-E130 WeakPolarHBondContact OD1-CG 3.47Å; N127-E130 PolarHBondContact OD1-N 3.37Å; N127-K131 WeakPolarHBondContact O-CG 3.21Å; N127-K131 PolarHBondContact O-N 3.42Å
128D93.4Very high93.3Very high120 Ų12054.2 Ų54.264%0.64229%0.292SS*.Hα-helixtrans-64.7-26.6-174.1-62.9-32.8000114.2K131 A132D128-K131 IonicContact OD1-NZ 2.73Å; D128-K131 PolarHBondContact OD1-NZ 3.01Å; D128-A132 WeakPolarHBondContact O-CB 3.33Å; D128-A132 PolarHBondContact O-N 3.35Å
129Q93.8Very high92.9Very high164 Ų16454.6 Ų54.677%0.76629%0.291SS*.Hα-helixtrans-69.4-42.9174.3-62.5-178.8-500111.3N127 A132 A133N127-Q129 VanDerWaalsContact C-N 3.26Å; N127-Q129 PolarHBondContact O-N 3.34Å; N127-Q129 WeakPolarHBondContact OD1-CB 3.24Å; N127-Q129 PolarHBondContact OD1-N 3.11Å; Q129-A132 PolarHBondContact O-N 3.42Å; Q129-A133 PolarHBondContact O-N 2.83Å
130E94.8Very high92.2Very high35 Ų3558.4 Ų58.416%0.16431%0.308CS..Hα-helixtrans-66-42175.6-69.7166.9158.900111.2H84 I88 V126 N127 A132 A133 I134H84-E130 IonicContact CD2-OE1 3.05Å; H84-E130 IonicContact CE1-OE1 3.77Å; H84-E130 IonicContact CE1-OE2 3.35Å; H84-E130 IonicContact NE2-OE1 3.23Å; H84-E130 PolarHBondContact NE2-OE1 3.38Å; H84-E130 IonicContact NE2-OE2 2.68Å; I88-E130 HydrophobicContact CD1-CB 4.14Å; I88-E130 HydrophobicContact CD1-CG 4.08Å; V126-E130 WeakPolarHBondContact CA-OE2 3.39Å; V126-E130 HydrophobicContact CG1-CB 3.49Å; V126-E130 VanDerWaalsContact CG1-CB 3.49Å; N127-E130 PolarHBondContact N-OE2 3.36Å; N127-E130 PolarHBondContact ND2-OE2 2.98Å; N127-E130 PolarHBondContact O-N 3.13Å; N127-E130 VanDerWaalsContact O-N 3.13Å; N127-E130 WeakPolarHBondContact OD1-CG 3.47Å; N127-E130 PolarHBondContact OD1-N 3.37Å; E130-A132 VanDerWaalsContact C-N 3.32Å; E130-A132 PolarHBondContact O-N 2.68Å; E130-A133 PolarHBondContact O-N 3.35Å; E130-I134 WeakPolarHBondContact O-CD1 3.44Å; E130-I134 VanDerWaalsContact O-CG1 3.27Å; E130-I134 WeakPolarHBondContact O-CG1 3.43Å; E130-I134 PolarHBondContact O-N 3.28Å
131K93.8Very high90.7Very high37 Ų3762.3 Ų62.316%0.16135%0.347CS..Hα-helixtrans-55.7-49.8172.2-63.8-176.9-166151.40110.2V117 V126 N127 D128 A133 I134 M135V117-K131 HydrophobicContact CG1-CB 4.01Å; V117-K131 HydrophobicContact CG1-CD 4.17Å; V117-K131 HydrophobicContact CG1-CG 3.56Å; V126-K131 HydrophobicContact CB-CG 4.38Å; V126-K131 HydrophobicContact CG1-CG 3.68Å; V126-K131 VanDerWaalsContact O-CE 3.3Å; V126-K131 WeakPolarHBondContact O-CE 3.28Å; N127-K131 WeakPolarHBondContact O-CG 3.21Å; N127-K131 PolarHBondContact O-N 3.42Å; D128-K131 IonicContact OD1-NZ 2.73Å; D128-K131 PolarHBondContact OD1-NZ 3.01Å; K131-A133 PolarHBondContact O-N 3.29Å; K131-I134 PolarHBondContact O-N 3.41Å; K131-M135 WeakPolarHBondContact O-CB 2.98Å; K131-M135 VanDerWaalsContact O-CG 3.28Å; K131-M135 WeakPolarHBondContact O-CG 3.2Å; K131-M135 PolarHBondContact O-N 3.39Å
132A93.6Very high89.1Confident59 Ų5964.2 Ų64.249%0.48835%0.354SS..Hα-helixtrans-59.9-43.5178.900000112.2D128 Q129 E130 I134 M135 Q136D128-A132 WeakPolarHBondContact O-CB 3.33Å; D128-A132 PolarHBondContact O-N 3.35Å; Q129-A132 PolarHBondContact O-N 3.42Å; E130-A132 VanDerWaalsContact C-N 3.32Å; E130-A132 PolarHBondContact O-N 2.68Å; A132-I134 PolarHBondContact O-N 2.87Å; A132-M135 PolarHBondContact O-N 3.29Å; A132-Q136 WeakPolarHBondContact O-CB 3.19Å; A132-Q136 PolarHBondContact O-N 3.07Å
133A94Very high86.9Confident32 Ų3263 Ų6326%0.26436%0.362SS..Hα-helixtrans-64.4-39.5178.100000112.9Q129 E130 K131 I137Q129-A133 PolarHBondContact O-N 2.83Å; E130-A133 PolarHBondContact O-N 3.35Å; K131-A133 PolarHBondContact O-N 3.29Å; A133-I137 PolarHBondContact O-N 3.05Å
134I93.7Very high84.7Confident0 Ų064.1 Ų64.10%038%0.383CS..Hα-helixtrans-66.3-43.7175.8-67.2159.9000110.2L91 K92 A95 L113 V117 V126 E130 K131 A132 Q136 I137 R138L91-I134 HydrophobicContact CB-CD1 3.75Å; L91-I134 HydrophobicContact CB-CG1 4.19Å; L91-I134 HydrophobicContact CD1-CD1 3.79Å; L91-I134 HydrophobicContact CG-CD1 4.35Å; K92-I134 HydrophobicContact CG-CG1 4.25Å; A95-I134 HydrophobicContact CB-CG2 4.09Å; L113-I134 HydrophobicContact CD2-CG2 4.2Å; V117-I134 HydrophobicContact CG2-CG2 4.3Å; V126-I134 HydrophobicContact CG1-CD1 4.33Å; E130-I134 WeakPolarHBondContact O-CD1 3.44Å; E130-I134 VanDerWaalsContact O-CG1 3.27Å; E130-I134 WeakPolarHBondContact O-CG1 3.43Å; E130-I134 PolarHBondContact O-N 3.28Å; K131-I134 PolarHBondContact O-N 3.41Å; A132-I134 PolarHBondContact O-N 2.87Å; I134-Q136 VanDerWaalsContact C-N 3.34Å; I134-I137 PolarHBondContact O-N 3.02Å; I134-R138 PolarHBondContact O-N 3.18Å; I134-R138 VanDerWaalsContact O-N 3.08Å
135M93.2Very high82.9Confident14 Ų1459.6 Ų59.67%0.06936%0.361CS..Hα-helixtrans-68.9-33179.1-66.4-47.2-58.100112.5N111 Q114 K131 A132 I137 R138 F139N111-M135 WeakPolarHBondContact ND2-CE 3.49Å; Q114-M135 HydrophobicContact CB-CE 4.18Å; Q114-M135 HydrophobicContact CB-SD 4.37Å; Q114-M135 PolarHBondContact OE1-SD 3.19Å; K131-M135 WeakPolarHBondContact O-CB 2.98Å; K131-M135 VanDerWaalsContact O-CG 3.28Å; K131-M135 WeakPolarHBondContact O-CG 3.2Å; K131-M135 PolarHBondContact O-N 3.39Å; A132-M135 PolarHBondContact O-N 3.29Å; M135-I137 PolarHBondContact O-N 2.84Å; M135-R138 HydrophobicContact CE-CB 4.2Å; M135-R138 HydrophobicContact CE-CG 4.04Å; M135-R138 WeakPolarHBondContact O-CB 3.46Å; M135-R138 PolarHBondContact O-N 3.14Å; M135-F139 HydrophobicContact CB-CD2 4.25Å; M135-F139 HydrophobicContact CB-CE2 4.16Å; M135-F139 HydrophobicContact CE-CD2 4.11Å; M135-F139 HydrophobicContact CE-CE2 3.26Å; M135-F139 HydrophobicContact CE-CZ 3.57Å; M135-F139 WeakPolarHBondContact O-CD2 3.41Å; M135-F139 PolarHBondContact O-N 2.87Å
136Q91.7Very high80.9Confident126 Ų12664 Ų6459%0.58938%0.383SS*.Hα-helixtrans-57.5-50.4172.2-175.2176.7-2.300110.8A132 I134 R138 F139 E140A132-Q136 WeakPolarHBondContact O-CB 3.19Å; A132-Q136 PolarHBondContact O-N 3.07Å; I134-Q136 VanDerWaalsContact C-N 3.34Å; Q136-R138 VanDerWaalsContact C-N 3.28Å; Q136-R138 PolarHBondContact O-N 3.26Å; Q136-F139 CarbonylContact O-C 3.49Å; Q136-F139 PolarHBondContact O-N 3.33Å; Q136-E140 HydrophobicContact CG-CG 4.47Å; Q136-E140 WeakPolarHBondContact O-CG 3.5Å; Q136-E140 PolarHBondContact O-N 2.77Å
137I91.2Very high78.7Confident41 Ų4171.6 Ų71.621%0.2142%0.418CS..Hα-helixtrans-59.3-40.6176.2-64.2169000111.3K92 A95 A133 I134 M135 F139K92-I137 HydrophobicContact CB-CD1 3.76Å; K92-I137 HydrophobicContact CD-CD1 3.97Å; K92-I137 HydrophobicContact CG-CD1 3.64Å; A95-I137 HydrophobicContact CB-CB 4.14Å; A95-I137 HydrophobicContact CB-CG2 3.85Å; A133-I137 PolarHBondContact O-N 3.05Å; I134-I137 PolarHBondContact O-N 3.02Å; M135-I137 PolarHBondContact O-N 2.84Å; I137-F139 VanDerWaalsContact C-N 3.26Å; I137-F139 PolarHBondContact O-N 3.15Å
138R87Confident76.8Confident1 Ų176.2 Ų76.20%0.00444%0.437CS..Hα-helixtrans-60.2-36.9177.4177.459.5-178.3141.23.5112.1A95 L101 N102 D105 L113 I134 M135 Q136 Q142A95-R138 HydrophobicContact CB-CB 4.46Å; L101-R138 VanDerWaalsContact CB-CZ 3.45Å; N102-R138 PolarHBondContact OD1-NH1 3.27Å; N102-R138 PolarHBondContact OD1-NH2 3.38Å; D105-R138 IonicContact OD2-CZ 3.43Å; D105-R138 IonicContact OD2-NE 3.31Å; D105-R138 IonicContact OD2-NH2 3.32Å; D105-R138 PolarHBondContact OD2-NH2 3.49Å; L113-R138 HydrophobicContact CD2-CB 4.16Å; L113-R138 HydrophobicContact CD2-CG 4.18Å; I134-R138 PolarHBondContact O-N 3.18Å; I134-R138 VanDerWaalsContact O-N 3.08Å; M135-R138 HydrophobicContact CE-CB 4.2Å; M135-R138 HydrophobicContact CE-CG 4.04Å; M135-R138 WeakPolarHBondContact O-CB 3.46Å; M135-R138 PolarHBondContact O-N 3.14Å; Q136-R138 VanDerWaalsContact C-N 3.28Å; Q136-R138 PolarHBondContact O-N 3.26Å; R138-Q142 PolarHBondContact O-NE2 2.96Å
139F84.8Confident75.2Confident70 Ų7074.2 Ų74.231%0.30742%0.421SS..Hα-helixtrans-99.4-7.1-175.3-65.2-56.4000115.1N111 M135 Q136 I137 G141 Q142 M146N111-F139 WeakPolarHBondContact ND2-CZ 3.43Å; M135-F139 HydrophobicContact CB-CD2 4.25Å; M135-F139 HydrophobicContact CB-CE2 4.16Å; M135-F139 HydrophobicContact CE-CD2 4.11Å; M135-F139 HydrophobicContact CE-CE2 3.26Å; M135-F139 HydrophobicContact CE-CZ 3.57Å; M135-F139 WeakPolarHBondContact O-CD2 3.41Å; M135-F139 PolarHBondContact O-N 2.87Å; Q136-F139 CarbonylContact O-C 3.49Å; Q136-F139 PolarHBondContact O-N 3.33Å; I137-F139 VanDerWaalsContact C-N 3.26Å; I137-F139 PolarHBondContact O-N 3.15Å; F139-G141 PolarHBondContact O-N 3.37Å; F139-Q142 PolarHBondContact O-N 2.96Å; F139-M146 HydrophobicContact CD1-SD 4.31Å; F139-M146 HydrophobicContact CE1-CG 4.24Å; F139-M146 HydrophobicContact CE1-SD 3.41Å; F139-M146 WeakPolarHBondContact CE1-SD 3.39Å; F139-M146 HydrophobicContact CZ-SD 3.78Å
140E80.3Confident73.3Confident96 Ų9669.6 Ų69.645%0.44941%0.406SS..THydrogen-bonded Turntrans-53.7108.7178.1-90.7168-160.600111.5R98 Q136R98-E140 PolarHBondContact NH2-O 3.49Å; Q136-E140 HydrophobicContact CG-CG 4.47Å; Q136-E140 WeakPolarHBondContact O-CG 3.5Å; Q136-E140 PolarHBondContact O-N 2.77Å
141G64.3Low71.4Confident81 Ų8172.8 Ų72.884%0.83544%0.439SS*.THydrogen-bonded Turntrans82.316.218000000116.1F139F139-G141 PolarHBondContact O-N 3.37Å
142Q62.5Low69.4Low50 Ų5079 Ų7923%0.23447%0.473CS..  trans-93.3102.5174.9-69.5-166.4-5.400112.9R138 F139R138-Q142 PolarHBondContact O-NE2 2.96Å; F139-Q142 PolarHBondContact O-N 2.96Å
143A46.7Very low67.7Low107 Ų10778.3 Ų78.388%0.88447%0.465SS*.SBendtrans-105.1109.3147.700000106.9
144G47.1Very low66.3Low61 Ų6182.7 Ų82.763%0.62948%0.48SS*.SBendtrans124.57.4161.200000120.8
145V54.7Low65.2Low61 Ų6183.8 Ų83.837%0.3749%0.488SS..SBendtrans-98.1-22.2174.5-171.40000112.6
146M50.3Low64.3Low106 Ų10685.3 Ų85.352%0.52250%0.498SS..SBendtrans-83.7-11.4-173.4-76.4-166.869.400116.3F139 H148F139-M146 HydrophobicContact CD1-SD 4.31Å; F139-M146 HydrophobicContact CE1-CG 4.24Å; F139-M146 HydrophobicContact CE1-SD 3.41Å; F139-M146 WeakPolarHBondContact CE1-SD 3.39Å; F139-M146 HydrophobicContact CZ-SD 3.78Å; M146-H148 PolarHBondContact O-N 3.03Å
147E48.8Very low64Low166 Ų16679.3 Ų79.378%0.77647%0.47SS*.THydrogen-bonded Turntrans-86.66.3-164.2-75-174.2161.800116.5
148H53.1Low63.8Low174 Ų17479.4 Ų79.481%0.80647%0.471SS*.THydrogen-bonded Turntrans-127.427-172.4-65.8-31000116.3M146 S150M146-H148 PolarHBondContact O-N 3.03Å; H148-S150 PolarHBondContact O-N 3.28Å
149Y58.9Low63.8Low78 Ų7882.7 Ų82.731%0.30649%0.488SS..  trans-85.9111.8169.9-52.8-61.6000110.5D105 R109 A151D105-Y149 WeakPolarHBondContact CB-OH 3.32Å; R109-Y149 VanDerWaalsContact C-CE1 3.45Å; R109-Y149 HydrophobicContact CB-CD1 4.11Å; R109-Y149 WeakPolarHBondContact O-CD1 3.39Å; Y149-A151 PolarHBondContact O-N 3.02Å
150S54.1Low63.9Low67 Ų6779.5 Ų79.547%0.46948%0.475SS..  trans-63.6124.5170.954.90000110.4H148 D152H148-S150 PolarHBondContact O-N 3.28Å; S150-D152 PolarHBondContact O-N 3.21Å
151A55.5Low64.4Low102 Ų10277.3 Ų77.384%0.84347%0.466SS*.THydrogen-bonded Turntrans-64.8-19.7-17800000114.6Y149 S153Y149-A151 PolarHBondContact O-N 3.02Å; A151-S153 PolarHBondContact O-N 3.32Å
152D52.5Low65.7Low166 Ų16678.4 Ų78.489%0.88845%0.447SS*.THydrogen-bonded Turntrans-80-7.6-167-66.7-30.5000115.6S150S150-D152 PolarHBondContact O-N 3.21Å
153S56.5Low67Low46 Ų4676.3 Ų76.332%0.32244%0.439SS..SBendtrans-115.1119.717762.40000111.7R109 A151R109-S153 PolarHBondContact NH1-OG 3.43Å; A151-S153 PolarHBondContact O-N 3.32Å
154Q65.2Low69.2Low124 Ų12473.1 Ų73.158%0.57941%0.406SS*.  trans-58.4131.4170.7-75.9-171-1.400109.7
155P71.2Confident71.4Confident23 Ų2373.9 Ų73.915%0.14940%0.4CS..  trans-64.3141.9178.325.4-32.9000109.9C110 F115 I157 N158C110-P155 HydrophobicContact CB-CB 4.25Å; F115-P155 HydrophobicContact CZ-CG 4.3Å; P155-I157 PolarHBondContact O-N 3.42Å; P155-N158 HydrophobicContact CG-CB 4.41Å; P155-N158 WeakPolarHBondContact CG-ND2 3.32Å; P155-N158 WeakPolarHBondContact O-CB 3.44Å; P155-N158 PolarHBondContact O-N 3.33Å
156P74.5Confident73.2Confident45 Ų4574.4 Ų74.429%0.29240%0.403SS..Hα-helixtrans-58-24.9-17922.4-33000112.9N158 L159 V160P156-N158 VanDerWaalsContact C-N 3.29Å; P156-N158 PolarHBondContact O-N 3.09Å; P156-L159 WeakPolarHBondContact O-CB 3.14Å; P156-L159 PolarHBondContact O-N 2.88Å; P156-L159 VanDerWaalsContact O-N 3.17Å; P156-V160 PolarHBondContact O-N 3.2Å
157I84.9Confident75.3Confident0 Ų069.3 Ų69.30%038%0.378CS..Hα-helixtrans-57.1-41.6174.2-57.1174.3000111.4Y67 A108 C110 T112 F115 P155 L159 V160 L161Y67-I157 HydrophobicContact CD1-CG2 4.1Å; Y67-I157 HydrophobicContact CD2-CG1 4.45Å; Y67-I157 HydrophobicContact CD2-CG2 3.91Å; Y67-I157 HydrophobicContact CE1-CD1 4.4Å; Y67-I157 HydrophobicContact CE1-CG2 4.03Å; Y67-I157 HydrophobicContact CE2-CB 4.33Å; Y67-I157 HydrophobicContact CE2-CD1 3.98Å; Y67-I157 HydrophobicContact CE2-CG1 3.71Å; Y67-I157 HydrophobicContact CE2-CG2 3.85Å; Y67-I157 HydrophobicContact CG-CG2 4.06Å; Y67-I157 VanDerWaalsContact OH-CD1 3.27Å; Y67-I157 WeakPolarHBondContact OH-CD1 3.25Å; A108-I157 HydrophobicContact CB-CD1 4.2Å; C110-I157 WeakPolarHBondContact SG-CD1 3.27Å; T112-I157 HydrophobicContact CG2-CD1 4.19Å; F115-I157 HydrophobicContact CB-CD1 4.29Å; F115-I157 HydrophobicContact CB-CG2 4.23Å; F115-I157 HydrophobicContact CD1-CG2 3.94Å; F115-I157 HydrophobicContact CD2-CD1 4.29Å; F115-I157 HydrophobicContact CG-CD1 4.25Å; F115-I157 HydrophobicContact CG-CG2 4.17Å; P155-I157 PolarHBondContact O-N 3.42Å; I157-L159 VanDerWaalsContact C-N 3.26Å; I157-L159 PolarHBondContact O-N 3.47Å; I157-V160 PolarHBondContact O-N 2.8Å; I157-L161 HydrophobicContact CG2-CD1 4Å; I157-L161 HydrophobicContact CG2-CG 4.37Å; I157-L161 WeakPolarHBondContact O-CG 3.41Å; I157-L161 PolarHBondContact O-N 3.35Å
158N87.4Confident77.4Confident44 Ų4464.9 Ų64.924%0.23536%0.359CS..Hα-helixtrans-66.2-29.6-179.3-77.2-17.3000112.3F115 P155 P156 K162F115-N158 WeakPolarHBondContact CE1-OD1 3.43Å; P155-N158 HydrophobicContact CG-CB 4.41Å; P155-N158 WeakPolarHBondContact CG-ND2 3.32Å; P155-N158 WeakPolarHBondContact O-CB 3.44Å; P155-N158 PolarHBondContact O-N 3.33Å; P156-N158 VanDerWaalsContact C-N 3.29Å; P156-N158 PolarHBondContact O-N 3.09Å; N158-K162 VanDerWaalsContact O-CB 3.29Å; N158-K162 WeakPolarHBondContact O-CB 3.25Å; N158-K162 WeakPolarHBondContact O-CG 3.46Å; N158-K162 PolarHBondContact O-N 3.34Å
159L86.6Confident79.2Confident69 Ų6959.5 Ų59.536%0.36134%0.341SS..Hα-helixtrans-67.9-40.3176-63175.7000111P156 I157 A163 Y200P156-L159 WeakPolarHBondContact O-CB 3.14Å; P156-L159 PolarHBondContact O-N 2.88Å; P156-L159 VanDerWaalsContact O-N 3.17Å; I157-L159 VanDerWaalsContact C-N 3.26Å; I157-L159 PolarHBondContact O-N 3.47Å; L159-A163 WeakPolarHBondContact O-CB 3.44Å; L159-A163 PolarHBondContact O-N 3.2Å; L159-Y200 HydrophobicContact CB-CD1 4.01Å; L159-Y200 HydrophobicContact CB-CE1 3.68Å; L159-Y200 HydrophobicContact CB-CE2 4.44Å; L159-Y200 HydrophobicContact CD1-CE1 4.43Å; L159-Y200 HydrophobicContact CD1-CE2 4.17Å
160V87.6Confident80.8Confident3 Ų356 Ų562%0.01833%0.327CS..Hα-helixtrans-66.3-45.9176.3174.20000111.4N63 L68 P156 I157 K162 A163 Y200N63-V160 HydrophobicContact CB-CG2 3.71Å; L68-V160 HydrophobicContact CD1-CG1 3.91Å; L68-V160 HydrophobicContact CG-CG1 4.12Å; P156-V160 PolarHBondContact O-N 3.2Å; I157-V160 PolarHBondContact O-N 2.8Å; V160-K162 VanDerWaalsContact C-N 3.33Å; V160-K162 PolarHBondContact O-N 2.82Å; V160-A163 WeakPolarHBondContact O-CB 3.4Å; V160-A163 PolarHBondContact O-N 3.42Å; V160-A163 VanDerWaalsContact O-N 3.16Å; V160-Y200 HydrophobicContact CG2-CD1 3.77Å; V160-Y200 HydrophobicContact CG2-CE1 3.74Å
161L90.2Very high82.6Confident50 Ų5053.3 Ų53.326%0.26231%0.308SS..Hα-helixtrans-64.4-37.2178.3-68.3176000112.3L68 F115 V119 I157 A163 P165L68-L161 HydrophobicContact CD2-CD2 3.98Å; F115-L161 HydrophobicContact CD1-CD1 4.41Å; V119-L161 HydrophobicContact CG2-CD1 4.41Å; V119-L161 HydrophobicContact CG2-CD2 3.87Å; I157-L161 HydrophobicContact CG2-CD1 4Å; I157-L161 HydrophobicContact CG2-CG 4.37Å; I157-L161 WeakPolarHBondContact O-CG 3.41Å; I157-L161 PolarHBondContact O-N 3.35Å; L161-A163 VanDerWaalsContact C-N 3.32Å; L161-P165 VanDerWaalsContact O-CD 3.25Å; L161-P165 WeakPolarHBondContact O-CD 3.41Å
162K91.1Very high84.2Confident104 Ų10456 Ų5645%0.45230%0.301SS..Hα-helixtrans-72.3-23.6174.6-73.8175.1-178.1178.80113.3N158 V160 E164 P165 T166N158-K162 VanDerWaalsContact O-CB 3.29Å; N158-K162 WeakPolarHBondContact O-CB 3.25Å; N158-K162 WeakPolarHBondContact O-CG 3.46Å; N158-K162 PolarHBondContact O-N 3.34Å; V160-K162 VanDerWaalsContact C-N 3.33Å; V160-K162 PolarHBondContact O-N 2.82Å; K162-E164 VanDerWaalsContact C-N 3.31Å; K162-E164 PolarHBondContact O-N 3.46Å; K162-P165 VanDerWaalsContact O-CD 3.26Å; K162-P165 WeakPolarHBondContact O-CD 3.39Å; K162-P165 VanDerWaalsContact O-CG 3.3Å; K162-P165 WeakPolarHBondContact O-CG 3.43Å; K162-T166 PolarHBondContact O-N 3.37Å; K162-T166 PolarHBondContact O-OG1 2.82Å; K162-T166 VanDerWaalsContact O-OG1 3.07Å
163A90.7Very high85.9Confident6 Ų649.2 Ų49.25%0.0527%0.265CS..Hα-helixtrans-66.8-32-178.300000112.8L159 V160 L161 T166 L167 I201 A204L159-A163 WeakPolarHBondContact O-CB 3.44Å; L159-A163 PolarHBondContact O-N 3.2Å; V160-A163 WeakPolarHBondContact O-CB 3.4Å; V160-A163 PolarHBondContact O-N 3.42Å; V160-A163 VanDerWaalsContact O-N 3.16Å; L161-A163 VanDerWaalsContact C-N 3.32Å; A163-T166 PolarHBondContact O-N 3.27Å; A163-L167 VanDerWaalsContact O-CB 3.31Å; A163-L167 WeakPolarHBondContact O-CB 3.29Å; A163-L167 PolarHBondContact O-N 2.67Å; A163-I201 HydrophobicContact CB-CD1 4.41Å; A163-I201 WeakPolarHBondContact O-CD1 3.4Å; A163-A204 HydrophobicContact CB-CB 3.93Å
164E92.7Very high87.4Confident41 Ų4147.3 Ų47.319%0.19225%0.251CS..Hα-helixtrans-61.6-56.9177.6177.7175-170.300113.2L68 R72 K162 T166 L167 L168 T208L68-E164 HydrophobicContact CD1-CB 4.48Å; L68-E164 HydrophobicContact CD2-CB 4.44Å; L68-E164 WeakPolarHBondContact CD2-OE2 3.35Å; R72-E164 IonicContact CZ-OE1 3.23Å; R72-E164 IonicContact CZ-OE2 3.49Å; R72-E164 IonicContact NH1-OE2 3.5Å; R72-E164 IonicContact NH2-OE1 3.73Å; R72-E164 PolarHBondContact NH2-OE1 3.44Å; R72-E164 IonicContact NH2-OE2 2.79Å; R72-E164 PolarHBondContact NH2-OE2 2.87Å; K162-E164 VanDerWaalsContact C-N 3.31Å; K162-E164 PolarHBondContact O-N 3.46Å; E164-T166 VanDerWaalsContact C-N 3.26Å; E164-T166 PolarHBondContact O-N 3.13Å; E164-L167 WeakPolarHBondContact O-CB 3.22Å; E164-L167 PolarHBondContact O-N 3.38Å; E164-L167 VanDerWaalsContact O-N 3.15Å; E164-L168 HydrophobicContact CG-CD1 4.49Å; E164-L168 WeakPolarHBondContact O-CG 3.22Å; E164-L168 PolarHBondContact O-N 2.98Å; E164-T208 HydrophobicContact CG-CG2 4.42Å
165P93.3Very high88.4Confident77 Ų7744.7 Ų44.750%0.524%0.241SC..Hα-helixtrans-63-33.1178.522.4-32.6000112.3L161 K162 L168 S169L161-P165 VanDerWaalsContact O-CD 3.25Å; L161-P165 WeakPolarHBondContact O-CD 3.41Å; K162-P165 VanDerWaalsContact O-CD 3.26Å; K162-P165 WeakPolarHBondContact O-CD 3.39Å; K162-P165 VanDerWaalsContact O-CG 3.3Å; K162-P165 WeakPolarHBondContact O-CG 3.43Å; P165-L168 PolarHBondContact O-N 2.67Å; P165-S169 PolarHBondContact O-N 2.89Å
166T92.8Very high88.8Confident71 Ų7149.7 Ų49.744%0.43626%0.263SS..Hα-helixtrans-64.7-43.5173.4-56.20000111.6K162 A163 E164 L168 S169 I170 I201K162-T166 PolarHBondContact O-N 3.37Å; K162-T166 PolarHBondContact O-OG1 2.82Å; K162-T166 VanDerWaalsContact O-OG1 3.07Å; A163-T166 PolarHBondContact O-N 3.27Å; E164-T166 VanDerWaalsContact C-N 3.26Å; E164-T166 PolarHBondContact O-N 3.13Å; T166-L168 PolarHBondContact O-N 3.43Å; T166-S169 WeakPolarHBondContact O-CB 2.99Å; T166-S169 PolarHBondContact O-N 2.94Å; T166-I170 HydrophobicContact CG2-CD1 4.01Å; T166-I170 WeakPolarHBondContact O-CD1 3.44Å; T166-I170 VanDerWaalsContact O-CG1 3.29Å; T166-I170 WeakPolarHBondContact O-CG1 3.5Å; T166-I170 PolarHBondContact O-N 3.21Å; T166-I201 HydrophobicContact CG2-CD1 3.71Å
167L93.4Very high89.3Confident0 Ų055.3 Ų55.30%029%0.285CS..Hα-helixtrans-56.6-50.5173.1168.667.2000110.6A163 E164 S169 I170 L171 I201 A204 A205 Q210 F214A163-L167 VanDerWaalsContact O-CB 3.31Å; A163-L167 WeakPolarHBondContact O-CB 3.29Å; A163-L167 PolarHBondContact O-N 2.67Å; E164-L167 WeakPolarHBondContact O-CB 3.22Å; E164-L167 PolarHBondContact O-N 3.38Å; E164-L167 VanDerWaalsContact O-N 3.15Å; L167-S169 VanDerWaalsContact C-N 3.26Å; L167-S169 PolarHBondContact O-N 3.28Å; L167-I170 WeakPolarHBondContact O-CB 3.17Å; L167-I170 PolarHBondContact O-N 3.12Å; L167-I170 VanDerWaalsContact O-N 3.13Å; L167-L171 HydrophobicContact CD1-CD1 3.85Å; L167-L171 HydrophobicContact CD1-CD2 4.32Å; L167-L171 HydrophobicContact CD1-CG 3.89Å; L167-L171 HydrophobicContact CG-CD1 3.86Å; L167-L171 HydrophobicContact CG-CG 4.27Å; L167-L171 WeakPolarHBondContact O-CB 3.43Å; L167-L171 VanDerWaalsContact O-CG 3.22Å; L167-L171 WeakPolarHBondContact O-CG 3.21Å; L167-L171 PolarHBondContact O-N 2.86Å; L167-I201 HydrophobicContact CB-CD1 4.34Å; L167-I201 HydrophobicContact CB-CG2 4.32Å; L167-I201 HydrophobicContact CD1-CG2 3.79Å; L167-A204 HydrophobicContact CD2-CB 4.39Å; L167-A205 HydrophobicContact CD1-CB 4.07Å; L167-A205 VanDerWaalsContact CD2-CA 3.42Å; L167-A205 HydrophobicContact CD2-CB 3.61Å; L167-Q210 HydrophobicContact CD2-CB 3.95Å; L167-Q210 HydrophobicContact CD2-CG 4.4Å; L167-F214 HydrophobicContact CD1-CB 4.47Å; L167-F214 HydrophobicContact CD1-CD2 4.25Å; L167-F214 HydrophobicContact CD1-CG 4.34Å
168L93.5Very high89.3Confident73 Ų7355.9 Ų55.938%0.38229%0.288SS..Hα-helixtrans-60.9-36179.5-65.2177.3000112.3E164 P165 T166 L171 K172E164-L168 HydrophobicContact CG-CD1 4.49Å; E164-L168 WeakPolarHBondContact O-CG 3.22Å; E164-L168 PolarHBondContact O-N 2.98Å; P165-L168 PolarHBondContact O-N 2.67Å; T166-L168 PolarHBondContact O-N 3.43Å; L168-L171 HydrophobicContact CD2-CD1 4.44Å; L168-K172 WeakPolarHBondContact O-CG 3.46Å; L168-K172 PolarHBondContact O-N 3.16Å
169S91.6Very high89.2Confident61 Ų6155 Ų5543%0.42728%0.283SS..Hα-helixtrans-63.7-48172.5170.90000112.1P165 T166 L167 L171 K172 V173P165-S169 PolarHBondContact O-N 2.89Å; T166-S169 WeakPolarHBondContact O-CB 2.99Å; T166-S169 PolarHBondContact O-N 2.94Å; L167-S169 VanDerWaalsContact C-N 3.26Å; L167-S169 PolarHBondContact O-N 3.28Å; S169-L171 VanDerWaalsContact C-N 3.3Å; S169-L171 PolarHBondContact O-N 3.42Å; S169-K172 PolarHBondContact O-N 2.78Å; S169-V173 PolarHBondContact O-N 3.15Å
170I91.5Very high89.1Confident4 Ų459 Ų592%0.02130%0.3CS..Hα-helixtrans-56.2-49.2175.4-67.5158.3000109.4T166 L167 K172 V173 L174 M188 L192 I201 F214T166-I170 HydrophobicContact CG2-CD1 4.01Å; T166-I170 WeakPolarHBondContact O-CD1 3.44Å; T166-I170 VanDerWaalsContact O-CG1 3.29Å; T166-I170 WeakPolarHBondContact O-CG1 3.5Å; T166-I170 PolarHBondContact O-N 3.21Å; L167-I170 WeakPolarHBondContact O-CB 3.17Å; L167-I170 PolarHBondContact O-N 3.12Å; L167-I170 VanDerWaalsContact O-N 3.13Å; I170-K172 VanDerWaalsContact C-N 3.29Å; I170-K172 PolarHBondContact O-N 3.23Å; I170-V173 PolarHBondContact O-N 3.45Å; I170-L174 HydrophobicContact CG2-CD1 3.66Å; I170-L174 HydrophobicContact CG2-CG 3.92Å; I170-L174 WeakPolarHBondContact O-CG 3.47Å; I170-L174 PolarHBondContact O-N 3.11Å; I170-M188 HydrophobicContact CB-SD 4.13Å; I170-M188 HydrophobicContact CG1-CG 4.49Å; I170-M188 HydrophobicContact CG1-SD 3.51Å; I170-M188 VanDerWaalsContact CG1-SD 3.51Å; I170-M188 HydrophobicContact CG2-CG 4.22Å; I170-M188 HydrophobicContact CG2-SD 4.28Å; I170-L192 HydrophobicContact CD1-CD2 3.99Å; I170-I201 HydrophobicContact CD1-CD1 3.83Å; I170-I201 HydrophobicContact CD1-CG1 4Å; I170-I201 HydrophobicContact CD1-CG2 4.1Å; I170-F214 HydrophobicContact CG2-CE2 4.06Å
171L92Very high89.1Confident11 Ų1163.5 Ų63.56%0.05832%0.322CS..Hα-helixtrans-60.1-37.2-179-69.1177.2000112.7L167 L168 S169 V173 Q210 L213 F214 K217L167-L171 HydrophobicContact CD1-CD1 3.85Å; L167-L171 HydrophobicContact CD1-CD2 4.32Å; L167-L171 HydrophobicContact CD1-CG 3.89Å; L167-L171 HydrophobicContact CG-CD1 3.86Å; L167-L171 HydrophobicContact CG-CG 4.27Å; L167-L171 WeakPolarHBondContact O-CB 3.43Å; L167-L171 VanDerWaalsContact O-CG 3.22Å; L167-L171 WeakPolarHBondContact O-CG 3.21Å; L167-L171 PolarHBondContact O-N 2.86Å; L168-L171 HydrophobicContact CD2-CD1 4.44Å; S169-L171 VanDerWaalsContact C-N 3.3Å; S169-L171 PolarHBondContact O-N 3.42Å; L171-V173 VanDerWaalsContact C-N 3.3Å; L171-V173 PolarHBondContact O-N 2.79Å; L171-Q210 HydrophobicContact CD1-CB 4.14Å; L171-Q210 HydrophobicContact CD1-CG 4.37Å; L171-L213 HydrophobicContact CB-CD2 4.14Å; L171-L213 HydrophobicContact CD1-CD2 3.56Å; L171-L213 HydrophobicContact CD2-CD2 3.39Å; L171-L213 HydrophobicContact CG-CD2 3.85Å; L171-F214 HydrophobicContact CD2-CB 3.93Å; L171-F214 HydrophobicContact CD2-CD2 3.86Å; L171-F214 HydrophobicContact CD2-CG 4.39Å; L171-K217 HydrophobicContact CD2-CD 3.93Å; L171-K217 PolarHBondContact O-NZ 3.25Å
172K90.1Very high88.8Confident159 Ų15963 Ų6369%0.69132%0.321SS*.Hα-helixtrans-65.5-32.4173.8-74174.1-177.9-177.40112.7L168 S169 I170 N175L168-K172 WeakPolarHBondContact O-CG 3.46Å; L168-K172 PolarHBondContact O-N 3.16Å; S169-K172 PolarHBondContact O-N 2.78Å; I170-K172 VanDerWaalsContact C-N 3.29Å; I170-K172 PolarHBondContact O-N 3.23Å; K172-N175 PolarHBondContact O-ND2 2.92Å
173V87.4Confident88.6Confident22 Ų2265.3 Ų65.313%0.13333%0.334CS..Hα-helixtrans-82.7-34.1179.9177.70000112S169 I170 L171 N175 N178 R184 M188S169-V173 PolarHBondContact O-N 3.15Å; I170-V173 PolarHBondContact O-N 3.45Å; L171-V173 VanDerWaalsContact C-N 3.3Å; L171-V173 PolarHBondContact O-N 2.79Å; V173-N175 PolarHBondContact O-N 2.92Å; V173-N178 PolarHBondContact O-ND2 3.05Å; V173-R184 HydrophobicContact CG1-CG 4.36Å; V173-M188 HydrophobicContact CB-CE 3.88Å; V173-M188 HydrophobicContact CG1-CE 3.97Å; V173-M188 HydrophobicContact CG1-CG 4.47Å; V173-M188 HydrophobicContact CG2-CE 3.79Å
174L88.1Confident88.5Confident6 Ų670.9 Ų70.93%0.03135%0.354CS..SBendtrans-75.850.5175.6-57-175.2000111.8I170 L185 M188 L189 F214 K217 L218 I221I170-L174 HydrophobicContact CG2-CD1 3.66Å; I170-L174 HydrophobicContact CG2-CG 3.92Å; I170-L174 WeakPolarHBondContact O-CG 3.47Å; I170-L174 PolarHBondContact O-N 3.11Å; L174-L185 HydrophobicContact CD2-CD2 4.02Å; L174-M188 HydrophobicContact CD2-CG 4.22Å; L174-L189 HydrophobicContact CD2-CD2 4.25Å; L174-F214 HydrophobicContact CD1-CD2 4.37Å; L174-F214 HydrophobicContact CD1-CE2 4.15Å; L174-K217 HydrophobicContact CB-CB 4.08Å; L174-K217 HydrophobicContact CB-CD 4.14Å; L174-K217 HydrophobicContact CB-CG 4.47Å; L174-K217 HydrophobicContact CD1-CB 4.47Å; L174-K217 VanDerWaalsContact O-CD 3.3Å; L174-K217 WeakPolarHBondContact O-CD 3.47Å; L174-K217 WeakPolarHBondContact O-CE 3.3Å; L174-K217 WeakPolarHBondContact O-CG 3.32Å; L174-K217 PolarHBondContact O-NZ 3.15Å; L174-L218 HydrophobicContact CD1-CD2 4.31Å; L174-I221 HydrophobicContact CB-CD1 4.29Å; L174-I221 HydrophobicContact CD1-CD1 4.43Å; L174-I221 HydrophobicContact CD2-CD1 3.69Å; L174-I221 HydrophobicContact CG-CD1 4.33Å
175N85.5Confident88.4Confident70 Ų7069 Ų6937%0.37435%0.345SS..SBendtrans-100.4161.2175-81.7-13000110.8K172 V173 E177 N178 K217K172-N175 PolarHBondContact O-ND2 2.92Å; V173-N175 PolarHBondContact O-N 2.92Å; N175-E177 VanDerWaalsContact C-N 3.26Å; N175-E177 PolarHBondContact O-N 2.89Å; N175-N178 PolarHBondContact O-N 3.32Å; N175-K217 PolarHBondContact OD1-NZ 3.22Å
176E80.4Confident88.2Confident128 Ų12866.2 Ų66.260%0.59833%0.328SS*.G310 helixtrans-59.2-35.1-174.6-67.6174.3-175.800113.1N178 L179 R220E176-N178 PolarHBondContact O-N 3.41Å; E176-N178 VanDerWaalsContact O-N 3.15Å; E176-L179 HydrophobicContact CB-CD1 4.45Å; E176-L179 WeakPolarHBondContact O-CB 3.42Å; E176-L179 WeakPolarHBondContact O-CG 2.92Å; E176-L179 PolarHBondContact O-N 3.43Å; E176-L179 VanDerWaalsContact O-N 3.1Å; E176-R220 IonicContact OE1-CZ 3.69Å; E176-R220 IonicContact OE1-NH1 3.74Å; E176-R220 PolarHBondContact OE1-NH1 2.84Å
177E84Confident87.9Confident162 Ų16269.6 Ų69.676%0.75734%0.338SS*.G310 helixtrans-58-27.8176.5-62171-173.200113.4N175N175-E177 VanDerWaalsContact C-N 3.26Å; N175-E177 PolarHBondContact O-N 2.89Å
178N86.4Confident87.7Confident12 Ų1271.5 Ų71.56%0.06435%0.348CS..G310 helixtrans-92.2-2-178.1-67.6-43.1000113.5V173 N175 E176 Q180 M181 R184 L185V173-N178 PolarHBondContact O-ND2 3.05Å; N175-N178 PolarHBondContact O-N 3.32Å; E176-N178 PolarHBondContact O-N 3.41Å; E176-N178 VanDerWaalsContact O-N 3.15Å; N178-Q180 PolarHBondContact O-N 2.58Å; N178-M181 PolarHBondContact O-N 3.23Å; N178-R184 WeakPolarHBondContact OD1-CD 3.38Å; N178-R184 PolarHBondContact OD1-NH1 2.88Å; N178-L185 HydrophobicContact CB-CD2 4.42Å
179L85.5Confident87.6Confident26 Ų2668 Ų6814%0.13633%0.33CS..THydrogen-bonded Turntrans-62-26.2178.1-69.6175.4000112.8E176 M181 I221 H224 Y225E176-L179 HydrophobicContact CB-CD1 4.45Å; E176-L179 WeakPolarHBondContact O-CB 3.42Å; E176-L179 WeakPolarHBondContact O-CG 2.92Å; E176-L179 PolarHBondContact O-N 3.43Å; E176-L179 VanDerWaalsContact O-N 3.1Å; L179-M181 VanDerWaalsContact C-N 3.29Å; L179-M181 PolarHBondContact O-N 2.87Å; L179-I221 HydrophobicContact CD2-CB 4.33Å; L179-I221 HydrophobicContact CD2-CG1 3.62Å; L179-H224 HydrophobicContact CD1-CB 4.4Å; L179-H224 HydrophobicContact CD2-CB 4.24Å; L179-Y225 PolarHBondContact O-OH 3.24Å
180Q84.4Confident87.5Confident154 Ų15465.6 Ų65.672%0.7231%0.312SS*.THydrogen-bonded Turntrans-83.4-2176.9-64-177.6-17.100113.6N178 P182N178-Q180 PolarHBondContact O-N 2.58Å; Q180-P182 WeakPolarHBondContact O-CD 3.16Å
181M86.3Confident87.4Confident97 Ų9769 Ų6948%0.47833%0.334SS..  trans-11776-171.7-58.7-64.214900110.7N178 L179 E183 R184 L185N178-M181 PolarHBondContact O-N 3.23Å; L179-M181 VanDerWaalsContact C-N 3.29Å; L179-M181 PolarHBondContact O-N 2.87Å; M181-E183 VanDerWaalsContact C-N 3.28Å; M181-E183 PolarHBondContact O-N 3.43Å; M181-R184 HydrophobicContact CB-CB 4.01Å; M181-R184 PolarHBondContact O-N 3.41Å; M181-R184 VanDerWaalsContact O-N 3.13Å; M181-L185 PolarHBondContact O-N 2.82Å
182P84.9Confident87.2Confident38 Ų3868.8 Ų68.825%0.24733%0.333CS..Hα-helixtrans-58.6-36.9-174.622.3-32.8000112.8Q180 R184 L185 S186 Y225 I238Q180-P182 WeakPolarHBondContact O-CD 3.16Å; P182-R184 PolarHBondContact O-N 2.91Å; P182-L185 PolarHBondContact O-N 3.11Å; P182-S186 WeakPolarHBondContact O-CB 3.28Å; P182-S186 PolarHBondContact O-N 3.39Å; P182-Y225 WeakPolarHBondContact CA-OH 3.05Å; P182-I238 HydrophobicContact CB-CG1 4.08Å; P182-I238 WeakPolarHBondContact O-CD1 3.41Å
183E87.2Confident87Confident154 Ų15461.4 Ų61.472%0.7230%0.301SS*.Hα-helixtrans-61.5-42.7178.1-63.8-177.1176.500112.4M181 L185 S186 Q187M181-E183 VanDerWaalsContact C-N 3.28Å; M181-E183 PolarHBondContact O-N 3.43Å; E183-L185 VanDerWaalsContact C-N 3.34Å; E183-S186 PolarHBondContact O-N 3.09Å; E183-Q187 WeakPolarHBondContact O-CB 3.42Å; E183-Q187 VanDerWaalsContact O-CG 3.28Å; E183-Q187 WeakPolarHBondContact O-CG 3.36Å; E183-Q187 PolarHBondContact O-N 3.16Å
184R88.5Confident86.5Confident122 Ų12262.2 Ų62.246%0.4631%0.307SS..Hα-helixtrans-66.7-38.2178.8-170.6178.7-175.4172.97.8111.3V173 N178 M181 P182 M188V173-R184 HydrophobicContact CG1-CG 4.36Å; N178-R184 WeakPolarHBondContact OD1-CD 3.38Å; N178-R184 PolarHBondContact OD1-NH1 2.88Å; M181-R184 HydrophobicContact CB-CB 4.01Å; M181-R184 PolarHBondContact O-N 3.41Å; M181-R184 VanDerWaalsContact O-N 3.13Å; P182-R184 PolarHBondContact O-N 2.91Å; R184-M188 PolarHBondContact O-N 3.21Å
185L90Very high85.7Confident1 Ų164.9 Ų64.91%0.00534%0.337CS..Hα-helixtrans-68.2-44.5174.7-66.5177.4000111.3L174 N178 M181 P182 E183 Q187 M188 L189 I221 Y225 I238L174-L185 HydrophobicContact CD2-CD2 4.02Å; N178-L185 HydrophobicContact CB-CD2 4.42Å; M181-L185 PolarHBondContact O-N 2.82Å; P182-L185 PolarHBondContact O-N 3.11Å; E183-L185 VanDerWaalsContact C-N 3.34Å; L185-Q187 VanDerWaalsContact C-N 3.35Å; L185-Q187 PolarHBondContact O-N 3.08Å; L185-M188 PolarHBondContact O-N 3.06Å; L185-L189 WeakPolarHBondContact O-CG 3.4Å; L185-L189 PolarHBondContact O-N 3.45Å; L185-I221 HydrophobicContact CD1-CG2 4.45Å; L185-I221 HydrophobicContact CD2-CD1 4.25Å; L185-Y225 HydrophobicContact CD1-CE2 3.63Å; L185-I238 HydrophobicContact CB-CD1 3.91Å; L185-I238 HydrophobicContact CB-CG1 4.48Å; L185-I238 HydrophobicContact CB-CG2 4.38Å; L185-I238 HydrophobicContact CD1-CG2 4.17Å
186S89Confident85.3Confident20 Ų2065.4 Ų65.414%0.1434%0.336CS..Hα-helixtrans-58.6-45.6176.6176.90000111.1P182 E183 M188 L189 N190 E237P182-S186 WeakPolarHBondContact O-CB 3.28Å; P182-S186 PolarHBondContact O-N 3.39Å; E183-S186 PolarHBondContact O-N 3.09Å; S186-M188 PolarHBondContact O-N 2.97Å; S186-L189 PolarHBondContact O-N 3.34Å; S186-N190 VanDerWaalsContact O-CB 3.27Å; S186-N190 WeakPolarHBondContact O-CB 3.41Å; S186-N190 PolarHBondContact O-N 2.94Å; S186-N190 PolarHBondContact O-ND2 3.31Å; S186-N190 VanDerWaalsContact O-ND2 3.11Å; S186-N190 PolarHBondContact OG-ND2 2.86Å; S186-E237 PolarHBondContact OG-OE1 3.35Å
187Q87.4Confident85.3Confident141 Ų14160.7 Ų60.766%0.65932%0.322SS*.Hα-helixtrans-58.3-31.8174.9-74.2173.414.200113.3E183 L185 P191E183-Q187 WeakPolarHBondContact O-CB 3.42Å; E183-Q187 VanDerWaalsContact O-CG 3.28Å; E183-Q187 WeakPolarHBondContact O-CG 3.36Å; E183-Q187 PolarHBondContact O-N 3.16Å; L185-Q187 VanDerWaalsContact C-N 3.35Å; L185-Q187 PolarHBondContact O-N 3.08Å; Q187-P191 WeakPolarHBondContact O-CD 3.33Å; Q187-P191 WeakPolarHBondContact O-CG 3.49Å
188M88.6Confident85.4Confident41 Ų4153.2 Ų53.220%0.20229%0.287CS..Hα-helixtrans-84.1-39179.8-173.854.866.700113.1I170 V173 L174 R184 L185 S186I170-M188 HydrophobicContact CB-SD 4.13Å; I170-M188 HydrophobicContact CG1-CG 4.49Å; I170-M188 HydrophobicContact CG1-SD 3.51Å; I170-M188 VanDerWaalsContact CG1-SD 3.51Å; I170-M188 HydrophobicContact CG2-CG 4.22Å; I170-M188 HydrophobicContact CG2-SD 4.28Å; V173-M188 HydrophobicContact CB-CE 3.88Å; V173-M188 HydrophobicContact CG1-CE 3.97Å; V173-M188 HydrophobicContact CG1-CG 4.47Å; V173-M188 HydrophobicContact CG2-CE 3.79Å; L174-M188 HydrophobicContact CD2-CG 4.22Å; R184-M188 PolarHBondContact O-N 3.21Å; L185-M188 PolarHBondContact O-N 3.06Å; S186-M188 PolarHBondContact O-N 2.97Å
189L90.9Very high85.3Confident0 Ų053.1 Ų53.10%029%0.286CS..Hα-helixtrans-82.4-34.9-174.9-63-178.2000112.4L174 L185 S186 L192 M193 L218 I238 L241 L245L174-L189 HydrophobicContact CD2-CD2 4.25Å; L185-L189 WeakPolarHBondContact O-CG 3.4Å; L185-L189 PolarHBondContact O-N 3.45Å; S186-L189 PolarHBondContact O-N 3.34Å; L189-L192 HydrophobicContact CD2-CD1 4.31Å; L189-L192 VanDerWaalsContact O-CB 3.31Å; L189-L192 WeakPolarHBondContact O-CB 3.48Å; L189-L192 PolarHBondContact O-N 2.76Å; L189-M193 PolarHBondContact O-N 3.4Å; L189-L218 HydrophobicContact CD2-CD2 3.9Å; L189-I238 HydrophobicContact CD1-CG2 4.36Å; L189-L241 HydrophobicContact CB-CB 4.22Å; L189-L241 HydrophobicContact CB-CD1 4.03Å; L189-L241 HydrophobicContact CD1-CB 3.97Å; L189-L245 HydrophobicContact CB-CD1 4.21Å; L189-L245 HydrophobicContact CD2-CD1 3.71Å; L189-L245 HydrophobicContact CG-CD1 4.38Å
190N89.9Confident85.4Confident9 Ų953 Ų535%0.04828%0.284CS..Hα-helixtrans-57.7-42.9-178.9-83.7-41.5000114.1S186 L192 M193 S194S186-N190 VanDerWaalsContact O-CB 3.27Å; S186-N190 WeakPolarHBondContact O-CB 3.41Å; S186-N190 PolarHBondContact O-N 2.94Å; S186-N190 PolarHBondContact O-ND2 3.31Å; S186-N190 VanDerWaalsContact O-ND2 3.11Å; S186-N190 PolarHBondContact OG-ND2 2.86Å; N190-L192 PolarHBondContact O-N 2.92Å; N190-M193 WeakPolarHBondContact O-CB 3.27Å; N190-M193 PolarHBondContact O-N 2.95Å; N190-S194 PolarHBondContact O-N 3.2Å
191P88.6Confident85.7Confident75 Ų7546 Ų4649%0.48725%0.252SS..Hα-helixtrans-59.4-26.4174.1-26.735.6000114.3Q187 M193 S194Q187-P191 WeakPolarHBondContact O-CD 3.33Å; Q187-P191 WeakPolarHBondContact O-CG 3.49Å; P191-M193 VanDerWaalsContact C-N 3.29Å; P191-S194 PolarHBondContact O-N 3.13Å
192L89.2Confident85.7Confident7 Ų741.4 Ų41.44%0.03723%0.229CC..Hα-helixtrans-73.4-24.1175.6-58.2177.3000112.1I170 L189 N190 S194 L198 I201 F214 L245I170-L192 HydrophobicContact CD1-CD2 3.99Å; L189-L192 HydrophobicContact CD2-CD1 4.31Å; L189-L192 VanDerWaalsContact O-CB 3.31Å; L189-L192 WeakPolarHBondContact O-CB 3.48Å; L189-L192 PolarHBondContact O-N 2.76Å; N190-L192 PolarHBondContact O-N 2.92Å; L192-S194 VanDerWaalsContact C-N 3.33Å; L192-L198 HydrophobicContact CB-CB 4.36Å; L192-L198 HydrophobicContact CB-CD1 4.39Å; L192-L198 VanDerWaalsContact O-CB 3.28Å; L192-L198 WeakPolarHBondContact O-CB 3.35Å; L192-I201 HydrophobicContact CD2-CB 4.44Å; L192-I201 HydrophobicContact CD2-CG1 3.93Å; L192-F214 HydrophobicContact CD1-CZ 4.21Å; L192-L245 HydrophobicContact CB-CD1 4.36Å; L192-L245 HydrophobicContact CB-CD2 3.86Å; L192-L245 HydrophobicContact CD1-CD1 4.03Å
193M84.5Confident85.7Confident4 Ų439.7 Ų39.72%0.0222%0.218CC..Hα-helixtrans-78.8-19.9176.5-53.2-58.2-81.600112.5L189 N190 P191 L241 L244 L245 R414 F417L189-M193 PolarHBondContact O-N 3.4Å; N190-M193 WeakPolarHBondContact O-CB 3.27Å; N190-M193 PolarHBondContact O-N 2.95Å; P191-M193 VanDerWaalsContact C-N 3.29Å; M193-L241 HydrophobicContact CE-CD2 4.03Å; M193-L241 HydrophobicContact CG-CD2 3.54Å; M193-L241 HydrophobicContact SD-CD2 4.06Å; M193-L244 HydrophobicContact CE-CB 3.69Å; M193-L244 HydrophobicContact CE-CD1 3.55Å; M193-L244 HydrophobicContact CE-CG 4.28Å; M193-L245 HydrophobicContact SD-CD1 4.47Å; M193-L245 HydrophobicContact SD-CD2 3.48Å; M193-L245 WeakPolarHBondContact SD-CD2 3.21Å; M193-L245 HydrophobicContact SD-CG 3.76Å; M193-R414 HydrophobicContact CE-CB 4.48Å; M193-R414 HydrophobicContact CE-CG 3.88Å; M193-F417 HydrophobicContact CB-CB 4.38Å; M193-F417 HydrophobicContact CB-CD2 4.44Å; M193-F417 HydrophobicContact CB-CG 4.49Å; M193-F417 HydrophobicContact CE-CB 3.91Å; M193-F417 HydrophobicContact CE-CD1 3.29Å; M193-F417 HydrophobicContact CE-CD2 4.33Å; M193-F417 HydrophobicContact CE-CE1 3.78Å; M193-F417 HydrophobicContact CE-CG 3.59Å; M193-F417 HydrophobicContact CE-CZ 4.43Å; M193-F417 HydrophobicContact SD-CD1 4.02Å; M193-F417 HydrophobicContact SD-CD2 4.22Å; M193-F417 HydrophobicContact SD-CE1 4.06Å; M193-F417 HydrophobicContact SD-CE2 4.25Å; M193-F417 HydrophobicContact SD-CG 4.07Å; M193-F417 HydrophobicContact SD-CZ 4.15Å
194S77.3Confident85.8Confident39 Ų3932.4 Ų32.427%0.27318%0.184SC..SBendtrans-93.7127.7-174.2-164.20000111.9N190 P191 L192 K196 D413N190-S194 PolarHBondContact O-N 3.2Å; P191-S194 PolarHBondContact O-N 3.13Å; L192-S194 VanDerWaalsContact C-N 3.33Å; S194-K196 PolarHBondContact O-N 3.1Å; S194-D413 WeakPolarHBondContact CB-OD2 3.37Å; S194-D413 PolarHBondContact OG-OD2 2.85Å
195G72.2Confident85.9Confident63 Ų6326.6 Ų26.665%0.64916%0.162SC*.THydrogen-bonded Turntrans56.1-127.4175.400000113.3
196K76.5Confident85.5Confident81 Ų8126.8 Ų26.835%0.35216%0.164SC..THydrogen-bonded Turntrans-105.95.9-171.4-57.8174.3174.4-173.80113.6S194 L198 L199 Y200 E458S194-K196 PolarHBondContact O-N 3.1Å; K196-L198 PolarHBondContact O-N 3.06Å; K196-L199 WeakPolarHBondContact O-CB 3.14Å; K196-L199 PolarHBondContact O-N 3.24Å; K196-L199 VanDerWaalsContact O-N 3.1Å; K196-Y200 HydrophobicContact CB-CD2 4.12Å; K196-Y200 HydrophobicContact CB-CE2 3.92Å; K196-Y200 VanDerWaalsContact O-CD2 3.3Å; K196-Y200 WeakPolarHBondContact O-CD2 3.48Å; K196-Y200 PolarHBondContact O-N 3.17Å; K196-E458 HydrophobicContact CD-CB 4.37Å; K196-E458 WeakPolarHBondContact CD-OE2 3.42Å; K196-E458 WeakPolarHBondContact CE-OE2 3.28Å; K196-E458 IonicContact NZ-OE1 3.5Å; K196-E458 IonicContact NZ-OE2 3.93Å; K196-E458 PolarHBondContact NZ-OE2 3.47Å
197G81.2Confident85.5Confident29 Ų2925.9 Ų25.930%0.29916%0.157SC..Hα-helixtrans-54.3-53.4-172.100000112.3L199 Y200 I201G197-L199 VanDerWaalsContact C-N 3.29Å; G197-L199 PolarHBondContact O-N 3.33Å; G197-Y200 PolarHBondContact O-N 3.25Å; G197-I201 WeakPolarHBondContact O-CG1 3.4Å; G197-I201 PolarHBondContact O-N 3.2Å; G197-I201 VanDerWaalsContact O-N 3.12Å
198L86Confident85.6Confident5 Ų519.8 Ų19.83%0.02613%0.129CC..Hα-helixtrans-56.2-43.5177.8-178.167.1000112.4L192 K196 Y200 I201 V202 F214 L245 R248 F417L192-L198 HydrophobicContact CB-CB 4.36Å; L192-L198 HydrophobicContact CB-CD1 4.39Å; L192-L198 VanDerWaalsContact O-CB 3.28Å; L192-L198 WeakPolarHBondContact O-CB 3.35Å; K196-L198 PolarHBondContact O-N 3.06Å; L198-Y200 VanDerWaalsContact C-N 3.28Å; L198-Y200 PolarHBondContact O-N 3.31Å; L198-I201 PolarHBondContact O-N 3.44Å; L198-V202 HydrophobicContact CD1-CG2 3.4Å; L198-V202 VanDerWaalsContact CD1-CG2 3.4Å; L198-V202 HydrophobicContact CG-CG2 3.72Å; L198-V202 WeakPolarHBondContact O-CB 3.5Å; L198-V202 WeakPolarHBondContact O-CG2 3.22Å; L198-V202 PolarHBondContact O-N 3.09Å; L198-F214 HydrophobicContact CD1-CE1 4.34Å; L198-F214 HydrophobicContact CD1-CZ 4.37Å; L198-L245 HydrophobicContact CD1-CD2 3.92Å; L198-L245 HydrophobicContact CD2-CD2 3.71Å; L198-L245 HydrophobicContact CG-CD2 4.34Å; L198-R248 HydrophobicContact CD2-CB 3.95Å; L198-R248 HydrophobicContact CD2-CG 3.59Å; L198-F417 HydrophobicContact CD2-CE2 3.7Å; L198-F417 HydrophobicContact CD2-CZ 3.63Å
199L83.7Confident85.5Confident10 Ų1021 Ų215%0.05214%0.136CC..Hα-helixtrans-58.5-40.8-175.8175.562.4000112.3P58 S60 K196 G197 A203 Y252P58-L199 HydrophobicContact CB-CD1 3.65Å; P58-L199 HydrophobicContact CB-CD2 3.66Å; P58-L199 HydrophobicContact CB-CG 4.18Å; P58-L199 HydrophobicContact CG-CD1 3.46Å; P58-L199 VanDerWaalsContact CG-CD1 3.46Å; P58-L199 HydrophobicContact CG-CD2 4.29Å; P58-L199 HydrophobicContact CG-CG 4.48Å; S60-L199 WeakPolarHBondContact OG-CD1 3.36Å; S60-L199 VanDerWaalsContact OG-CG 3.24Å; S60-L199 WeakPolarHBondContact OG-CG 3.39Å; K196-L199 WeakPolarHBondContact O-CB 3.14Å; K196-L199 PolarHBondContact O-N 3.24Å; K196-L199 VanDerWaalsContact O-N 3.1Å; G197-L199 VanDerWaalsContact C-N 3.29Å; G197-L199 PolarHBondContact O-N 3.33Å; L199-A203 VanDerWaalsContact O-CB 3.27Å; L199-A203 WeakPolarHBondContact O-CB 3.4Å; L199-A203 PolarHBondContact O-N 2.91Å; L199-A203 VanDerWaalsContact O-N 3.09Å; L199-Y252 HydrophobicContact CD1-CE1 4.26Å
200Y87.8Confident85.4Confident24 Ų2423.6 Ų23.69%0.09415%0.149CC..Hα-helixtrans-73.2-42.9176.4-74.9-79.1000112.5L159 V160 K196 G197 L198 V202 A203 A204L159-Y200 HydrophobicContact CB-CD1 4.01Å; L159-Y200 HydrophobicContact CB-CE1 3.68Å; L159-Y200 HydrophobicContact CB-CE2 4.44Å; L159-Y200 HydrophobicContact CD1-CE1 4.43Å; L159-Y200 HydrophobicContact CD1-CE2 4.17Å; V160-Y200 HydrophobicContact CG2-CD1 3.77Å; V160-Y200 HydrophobicContact CG2-CE1 3.74Å; K196-Y200 HydrophobicContact CB-CD2 4.12Å; K196-Y200 HydrophobicContact CB-CE2 3.92Å; K196-Y200 VanDerWaalsContact O-CD2 3.3Å; K196-Y200 WeakPolarHBondContact O-CD2 3.48Å; K196-Y200 PolarHBondContact O-N 3.17Å; G197-Y200 PolarHBondContact O-N 3.25Å; L198-Y200 VanDerWaalsContact C-N 3.28Å; L198-Y200 PolarHBondContact O-N 3.31Å; Y200-V202 PolarHBondContact O-N 3.17Å; Y200-A203 PolarHBondContact O-N 3.24Å; Y200-A204 WeakPolarHBondContact O-CB 3.22Å; Y200-A204 PolarHBondContact O-N 3.35Å
201I90.2Very high85.3Confident7 Ų724 Ų244%0.03615%0.151CC..Hα-helixtrans-58.9-41.1177.6-66.8-56.9000111.1A163 T166 L167 I170 L192 G197 L198 A204 A205 F214A163-I201 HydrophobicContact CB-CD1 4.41Å; A163-I201 WeakPolarHBondContact O-CD1 3.4Å; T166-I201 HydrophobicContact CG2-CD1 3.71Å; L167-I201 HydrophobicContact CB-CD1 4.34Å; L167-I201 HydrophobicContact CB-CG2 4.32Å; L167-I201 HydrophobicContact CD1-CG2 3.79Å; I170-I201 HydrophobicContact CD1-CD1 3.83Å; I170-I201 HydrophobicContact CD1-CG1 4Å; I170-I201 HydrophobicContact CD1-CG2 4.1Å; L192-I201 HydrophobicContact CD2-CB 4.44Å; L192-I201 HydrophobicContact CD2-CG1 3.93Å; G197-I201 WeakPolarHBondContact O-CG1 3.4Å; G197-I201 PolarHBondContact O-N 3.2Å; G197-I201 VanDerWaalsContact O-N 3.12Å; L198-I201 PolarHBondContact O-N 3.44Å; I201-A204 PolarHBondContact O-N 3.47Å; I201-A205 WeakPolarHBondContact O-CB 3.35Å; I201-A205 PolarHBondContact O-N 2.86Å; I201-F214 HydrophobicContact CG2-CZ 4.32Å
202V86.2Confident85.1Confident0 Ų022.2 Ų22.20%015%0.146CC..Hα-helixtrans-75.7-39-177175.60000111.6L198 Y200 A204 A205 S206 M211 F214 L249 H253L198-V202 HydrophobicContact CD1-CG2 3.4Å; L198-V202 VanDerWaalsContact CD1-CG2 3.4Å; L198-V202 HydrophobicContact CG-CG2 3.72Å; L198-V202 WeakPolarHBondContact O-CB 3.5Å; L198-V202 WeakPolarHBondContact O-CG2 3.22Å; L198-V202 PolarHBondContact O-N 3.09Å; Y200-V202 PolarHBondContact O-N 3.17Å; V202-A204 VanDerWaalsContact C-N 3.31Å; V202-A204 PolarHBondContact O-N 2.89Å; V202-A205 PolarHBondContact O-N 2.95Å; V202-S206 PolarHBondContact O-N 2.88Å; V202-S206 PolarHBondContact O-OG 3.19Å; V202-M211 HydrophobicContact CG1-CE 3.54Å; V202-M211 WeakPolarHBondContact O-CE 3.26Å; V202-F214 HydrophobicContact CG2-CE1 4.1Å; V202-L249 HydrophobicContact CB-CD2 4.13Å; V202-L249 HydrophobicContact CG1-CD2 3.54Å; V202-L249 HydrophobicContact CG2-CD2 3.33Å; V202-H253 WeakPolarHBondContact CG1-CD2 3.42Å; V202-H253 WeakPolarHBondContact CG1-NE2 3.39Å
203A84.8Confident85.1Confident2 Ų225.8 Ų25.82%0.01717%0.165CC..Hα-helixtrans-61.3-40.5171.400000111.6V61 S64 L199 Y200 A207V61-A203 HydrophobicContact CG2-CB 4.17Å; S64-A203 WeakPolarHBondContact CB-O 3.39Å; S64-A203 PolarHBondContact OG-O 2.84Å; L199-A203 VanDerWaalsContact O-CB 3.27Å; L199-A203 WeakPolarHBondContact O-CB 3.4Å; L199-A203 PolarHBondContact O-N 2.91Å; L199-A203 VanDerWaalsContact O-N 3.09Å; Y200-A203 PolarHBondContact O-N 3.24Å; A203-A207 WeakPolarHBondContact O-CB 3.41Å; A203-A207 PolarHBondContact O-N 3.3Å; A203-A207 VanDerWaalsContact O-N 3.08Å
204A90Very high85.4Confident1 Ų125.6 Ų25.61%0.00816%0.164CC..Hα-helixtrans-65.2-47.4173.300000111.5L68 A163 L167 Y200 I201 V202 S206 A207 T208L68-A204 HydrophobicContact CD1-CB 3.91Å; A163-A204 HydrophobicContact CB-CB 3.93Å; L167-A204 HydrophobicContact CD2-CB 4.39Å; Y200-A204 WeakPolarHBondContact O-CB 3.22Å; Y200-A204 PolarHBondContact O-N 3.35Å; I201-A204 PolarHBondContact O-N 3.47Å; V202-A204 VanDerWaalsContact C-N 3.31Å; V202-A204 PolarHBondContact O-N 2.89Å; A204-S206 VanDerWaalsContact C-N 3.28Å; A204-S206 PolarHBondContact O-N 3.38Å; A204-A207 PolarHBondContact O-N 3.31Å; A204-T208 WeakPolarHBondContact O-CG2 3.38Å; A204-T208 PolarHBondContact O-N 3.37Å; A204-T208 PolarHBondContact O-OG1 2.8Å
205A89.3Confident85.9Confident0 Ų023.7 Ų23.70%015%0.151CC..Hα-helixtrans-60.1-37.9179.900000112.8L167 I201 V202 D209 Q210 M211L167-A205 HydrophobicContact CD1-CB 4.07Å; L167-A205 VanDerWaalsContact CD2-CA 3.42Å; L167-A205 HydrophobicContact CD2-CB 3.61Å; I201-A205 WeakPolarHBondContact O-CB 3.35Å; I201-A205 PolarHBondContact O-N 2.86Å; V202-A205 PolarHBondContact O-N 2.95Å; A205-D209 PolarHBondContact O-N 3.34Å; A205-Q210 HydrophobicContact CB-CB 4.41Å; A205-Q210 PolarHBondContact O-N 3.47Å; A205-M211 HydrophobicContact CB-CE 4.34Å; A205-M211 PolarHBondContact O-N 3.24Å
206S82.8Confident86.6Confident5 Ų521.8 Ų21.84%0.03513%0.131CC..Hα-helixtrans-65-45.8172.1-57.60000111.5H13 R69 V202 A204 T208 M211H13-S206 PolarHBondContact ND1-OG 3.27Å; R69-S206 PolarHBondContact NH1-O 3.35Å; V202-S206 PolarHBondContact O-N 2.88Å; V202-S206 PolarHBondContact O-OG 3.19Å; A204-S206 VanDerWaalsContact C-N 3.28Å; A204-S206 PolarHBondContact O-N 3.38Å; S206-T208 VanDerWaalsContact C-N 3.27Å; S206-T208 PolarHBondContact O-N 3.27Å; S206-M211 WeakPolarHBondContact OG-CE 3.46Å
207A87.6Confident87.4Confident0 Ų019.5 Ų19.50%012%0.121CC..Hα-helixtrans-69.4-23.1-176.800000113.4S64 L68 R69 A203 A204S64-A207 WeakPolarHBondContact O-CB 3.2Å; L68-A207 HydrophobicContact CB-CB 3.81Å; L68-A207 HydrophobicContact CD1-CB 4.38Å; R69-A207 HydrophobicContact CB-CB 4.01Å; R69-A207 WeakPolarHBondContact CD-O 3.42Å; R69-A207 PolarHBondContact NH1-O 2.9Å; A203-A207 WeakPolarHBondContact O-CB 3.41Å; A203-A207 PolarHBondContact O-N 3.3Å; A203-A207 VanDerWaalsContact O-N 3.08Å; A204-A207 PolarHBondContact O-N 3.31Å
208T89.7Confident87.9Confident13 Ų1318.1 Ų18.18%0.0811%0.107CC..THydrogen-bonded Turntrans-112.917.6-175.566.30000114.5L68 E164 A204 S206 Q210L68-T208 HydrophobicContact CB-CG2 4.35Å; E164-T208 HydrophobicContact CG-CG2 4.42Å; A204-T208 WeakPolarHBondContact O-CG2 3.38Å; A204-T208 PolarHBondContact O-N 3.37Å; A204-T208 PolarHBondContact O-OG1 2.8Å; S206-T208 VanDerWaalsContact C-N 3.27Å; S206-T208 PolarHBondContact O-N 3.27Å; T208-Q210 PolarHBondContact O-N 3.13Å; T208-Q210 VanDerWaalsContact O-N 3.15Å; T208-Q210 WeakPolarHBondContact OG1-CG 3.39Å
209D87.3Confident88Confident66 Ų6618.7 Ų18.735%0.35311%0.11SC..THydrogen-bonded Turntrans58.222.7-177.6-66.3-26000114.9G16 I17 R69 A205G16-D209 WeakPolarHBondContact CA-OD1 3.15Å; I17-D209 WeakPolarHBondContact CB-OD2 3.18Å; I17-D209 VanDerWaalsContact CG1-OD2 3.23Å; I17-D209 WeakPolarHBondContact CG1-OD2 3.32Å; I17-D209 PolarHBondContact N-OD1 2.88Å; I17-D209 PolarHBondContact N-OD2 3.45Å; R69-D209 IonicContact CZ-OD1 2.99Å; R69-D209 IonicContact NH1-OD1 2.93Å; R69-D209 PolarHBondContact NH1-OD1 3.2Å; R69-D209 IonicContact NH1-OD2 3.42Å; R69-D209 IonicContact NH2-OD1 3.5Å; R69-D209 PolarHBondContact NH2-OD1 3.3Å; A205-D209 PolarHBondContact O-N 3.34Å
210Q89.4Confident88.3Confident56 Ų5625.1 Ų25.126%0.26213%0.133SC..  trans-97.5-2.5-179.8-63.9-56-51.600113.1L167 L171 A205 T208 G212 L213 F214L167-Q210 HydrophobicContact CD2-CB 3.95Å; L167-Q210 HydrophobicContact CD2-CG 4.4Å; L171-Q210 HydrophobicContact CD1-CB 4.14Å; L171-Q210 HydrophobicContact CD1-CG 4.37Å; A205-Q210 HydrophobicContact CB-CB 4.41Å; A205-Q210 PolarHBondContact O-N 3.47Å; T208-Q210 PolarHBondContact O-N 3.13Å; T208-Q210 VanDerWaalsContact O-N 3.15Å; T208-Q210 WeakPolarHBondContact OG1-CG 3.39Å; Q210-G212 PolarHBondContact O-N 3.01Å; Q210-L213 PolarHBondContact O-N 3.03Å; Q210-F214 WeakPolarHBondContact O-CB 3.41Å; Q210-F214 PolarHBondContact O-N 3.25Å
211M86.1Confident88.4Confident17 Ų1724.1 Ų24.18%0.08413%0.129CC..Hα-helixtrans-57.7-47.7-178.6-177.364.373.400112.4V202 A205 S206 L213 F214 A215 L249 W258V202-M211 HydrophobicContact CG1-CE 3.54Å; V202-M211 WeakPolarHBondContact O-CE 3.26Å; A205-M211 HydrophobicContact CB-CE 4.34Å; A205-M211 PolarHBondContact O-N 3.24Å; S206-M211 WeakPolarHBondContact OG-CE 3.46Å; M211-L213 VanDerWaalsContact C-N 3.28Å; M211-L213 PolarHBondContact O-N 2.93Å; M211-F214 PolarHBondContact O-N 2.7Å; M211-A215 WeakPolarHBondContact O-CB 3.48Å; M211-A215 PolarHBondContact O-N 2.98Å; M211-L249 HydrophobicContact SD-CD2 4.05Å; M211-W258 HydrophobicContact CG-CB 4.24Å; M211-W258 HydrophobicContact CG-CG 4.04Å
212G85.1Confident88.4Confident38 Ų3823.8 Ų23.839%0.39213%0.128SC..Hα-helixtrans-58.5-40.817900000112.6Q210 G216Q210-G212 PolarHBondContact O-N 3.01Å; G212-G216 WeakPolarHBondContact O-CA 3.26Å; G212-G216 PolarHBondContact O-N 2.98Å
213L88.5Confident88.4Confident81 Ų8126.6 Ų26.642%0.42414%0.141SC..Hα-helixtrans-73.2-40.1178.9-177.9144.2000112L171 Q210 M211 K217L171-L213 HydrophobicContact CB-CD2 4.14Å; L171-L213 HydrophobicContact CD1-CD2 3.56Å; L171-L213 HydrophobicContact CD2-CD2 3.39Å; L171-L213 HydrophobicContact CG-CD2 3.85Å; Q210-L213 PolarHBondContact O-N 3.03Å; M211-L213 VanDerWaalsContact C-N 3.28Å; M211-L213 PolarHBondContact O-N 2.93Å; L213-K217 HydrophobicContact CD2-CD 3.88Å; L213-K217 HydrophobicContact CG-CD 4.33Å; L213-K217 WeakPolarHBondContact O-CB 3.35Å; L213-K217 WeakPolarHBondContact O-CD 3.44Å; L213-K217 WeakPolarHBondContact O-CG 3.4Å; L213-K217 PolarHBondContact O-N 3.09Å
214F91.3Very high88.6Confident0 Ų030.4 Ų30.40%016%0.158CC..Hα-helixtrans-63.4-52.3175.5179.8-122.5000111.8L167 I170 L171 L174 L192 L198 I201 V202 Q210 M211 K217 L218 L249L167-F214 HydrophobicContact CD1-CB 4.47Å; L167-F214 HydrophobicContact CD1-CD2 4.25Å; L167-F214 HydrophobicContact CD1-CG 4.34Å; I170-F214 HydrophobicContact CG2-CE2 4.06Å; L171-F214 HydrophobicContact CD2-CB 3.93Å; L171-F214 HydrophobicContact CD2-CD2 3.86Å; L171-F214 HydrophobicContact CD2-CG 4.39Å; L174-F214 HydrophobicContact CD1-CD2 4.37Å; L174-F214 HydrophobicContact CD1-CE2 4.15Å; L192-F214 HydrophobicContact CD1-CZ 4.21Å; L198-F214 HydrophobicContact CD1-CE1 4.34Å; L198-F214 HydrophobicContact CD1-CZ 4.37Å; I201-F214 HydrophobicContact CG2-CZ 4.32Å; V202-F214 HydrophobicContact CG2-CE1 4.1Å; Q210-F214 WeakPolarHBondContact O-CB 3.41Å; Q210-F214 PolarHBondContact O-N 3.25Å; M211-F214 PolarHBondContact O-N 2.7Å; F214-K217 PolarHBondContact O-N 3.48Å; F214-L218 HydrophobicContact CD1-CD1 4.3Å; F214-L218 HydrophobicContact CE1-CD1 3.81Å; F214-L218 HydrophobicContact CE2-CD1 4.13Å; F214-L218 HydrophobicContact CE2-CG 4.38Å; F214-L218 HydrophobicContact CZ-CD1 3.72Å; F214-L218 HydrophobicContact CZ-CG 4.44Å; F214-L218 PolarHBondContact O-N 3.23Å; F214-L218 VanDerWaalsContact O-N 3.09Å; F214-L249 HydrophobicContact CD1-CD1 4.09Å; F214-L249 HydrophobicContact CD1-CD2 4.37Å; F214-L249 HydrophobicContact CE1-CD1 3.96Å; F214-L249 HydrophobicContact CE1-CD2 4.11Å; F214-L249 HydrophobicContact CE1-CG 4.5Å
215A87.8Confident88.4Confident0 Ų030.8 Ų30.80%016%0.16CC..Hα-helixtrans-64-42.6178.100000111.5M211 K217 L218 I219 L249 W258M211-A215 WeakPolarHBondContact O-CB 3.48Å; M211-A215 PolarHBondContact O-N 2.98Å; A215-K217 VanDerWaalsContact C-N 3.29Å; A215-K217 PolarHBondContact O-N 2.99Å; A215-L218 PolarHBondContact O-N 3.11Å; A215-L218 VanDerWaalsContact O-N 3.14Å; A215-I219 VanDerWaalsContact O-CG1 3.3Å; A215-I219 WeakPolarHBondContact O-CG1 3.12Å; A215-I219 PolarHBondContact O-N 3.32Å; A215-L249 HydrophobicContact CB-CD1 4.32Å; A215-W258 HydrophobicContact CB-CB 4.01Å; A215-W258 HydrophobicContact CB-CD2 3.75Å; A215-W258 HydrophobicContact CB-CE3 3.43Å; A215-W258 VanDerWaalsContact CB-CE3 3.43Å; A215-W258 HydrophobicContact CB-CG 4.03Å; A215-W258 HydrophobicContact CB-CZ3 4.13Å
216G88.5Confident88.1Confident23 Ų2334.2 Ų34.224%0.23717%0.172CC..Hα-helixtrans-58.2-39.3176.500000113.1G212 I219 R220G212-G216 WeakPolarHBondContact O-CA 3.26Å; G212-G216 PolarHBondContact O-N 2.98Å; G216-I219 PolarHBondContact O-N 3.48Å; G216-R220 WeakPolarHBondContact O-CG 3.19Å; G216-R220 PolarHBondContact O-N 3.49Å
217K91.8Very high87.6Confident32 Ų3237.9 Ų37.914%0.13920%0.203CC..Hα-helixtrans-68-41.8174.6-77.3165.3169.9-105.80112.4L171 L174 N175 L213 F214 A215 R220 I221L171-K217 HydrophobicContact CD2-CD 3.93Å; L171-K217 PolarHBondContact O-NZ 3.25Å; L174-K217 HydrophobicContact CB-CB 4.08Å; L174-K217 HydrophobicContact CB-CD 4.14Å; L174-K217 HydrophobicContact CB-CG 4.47Å; L174-K217 HydrophobicContact CD1-CB 4.47Å; L174-K217 VanDerWaalsContact O-CD 3.3Å; L174-K217 WeakPolarHBondContact O-CD 3.47Å; L174-K217 WeakPolarHBondContact O-CE 3.3Å; L174-K217 WeakPolarHBondContact O-CG 3.32Å; L174-K217 PolarHBondContact O-NZ 3.15Å; N175-K217 PolarHBondContact OD1-NZ 3.22Å; L213-K217 HydrophobicContact CD2-CD 3.88Å; L213-K217 HydrophobicContact CG-CD 4.33Å; L213-K217 WeakPolarHBondContact O-CB 3.35Å; L213-K217 WeakPolarHBondContact O-CD 3.44Å; L213-K217 WeakPolarHBondContact O-CG 3.4Å; L213-K217 PolarHBondContact O-N 3.09Å; F214-K217 PolarHBondContact O-N 3.48Å; A215-K217 VanDerWaalsContact C-N 3.29Å; A215-K217 PolarHBondContact O-N 2.99Å; K217-R220 PolarHBondContact O-N 3.17Å; K217-I221 WeakPolarHBondContact O-CG1 3.2Å; K217-I221 PolarHBondContact O-N 3.21Å
218L91.4Very high86.7Confident0 Ų038.7 Ų38.70%021%0.21CC..Hα-helixtrans-63.3-40.6174.3-71.7174.9000112.2L174 L189 F214 A215 I221 N222 L245 L246 L249L174-L218 HydrophobicContact CD1-CD2 4.31Å; L189-L218 HydrophobicContact CD2-CD2 3.9Å; F214-L218 HydrophobicContact CD1-CD1 4.3Å; F214-L218 HydrophobicContact CE1-CD1 3.81Å; F214-L218 HydrophobicContact CE2-CD1 4.13Å; F214-L218 HydrophobicContact CE2-CG 4.38Å; F214-L218 HydrophobicContact CZ-CD1 3.72Å; F214-L218 HydrophobicContact CZ-CG 4.44Å; F214-L218 PolarHBondContact O-N 3.23Å; F214-L218 VanDerWaalsContact O-N 3.09Å; A215-L218 PolarHBondContact O-N 3.11Å; A215-L218 VanDerWaalsContact O-N 3.14Å; L218-I221 PolarHBondContact O-N 2.8Å; L218-N222 WeakPolarHBondContact O-CB 3.36Å; L218-N222 PolarHBondContact O-N 3.05Å; L218-L245 HydrophobicContact CD1-CB 4.17Å; L218-L245 HydrophobicContact CD2-CD1 4.2Å; L218-L246 HydrophobicContact CB-CD1 4.37Å; L218-L246 HydrophobicContact CB-CD2 3.63Å; L218-L246 HydrophobicContact CB-CG 3.87Å; L218-L246 HydrophobicContact CD1-CD2 4.37Å; L218-L249 HydrophobicContact CD1-CD1 3.66Å
219I89.1Confident85.5Confident17 Ų1740.7 Ų40.79%0.08722%0.224CC..Hα-helixtrans-60.7-46.4175-69166.9000110.2A215 G216 I221 N222 E223 L246 W258 L259 P264A215-I219 VanDerWaalsContact O-CG1 3.3Å; A215-I219 WeakPolarHBondContact O-CG1 3.12Å; A215-I219 PolarHBondContact O-N 3.32Å; G216-I219 PolarHBondContact O-N 3.48Å; I219-I221 VanDerWaalsContact C-N 3.35Å; I219-I221 PolarHBondContact O-N 2.86Å; I219-N222 PolarHBondContact O-N 2.97Å; I219-E223 WeakPolarHBondContact O-CB 3.09Å; I219-E223 PolarHBondContact O-N 3.21Å; I219-L246 HydrophobicContact CG1-CD1 4.08Å; I219-L246 HydrophobicContact CG1-CD2 3.69Å; I219-W258 HydrophobicContact CD1-CZ3 4.5Å; I219-L259 HydrophobicContact CD1-CD1 3.73Å; I219-P264 HydrophobicContact CG2-CB 3.84Å; I219-P264 HydrophobicContact CG2-CG 4.4Å
220R89.2Confident84.4Confident145 Ų14539 Ų3955%0.54722%0.215SC..Hα-helixtrans-60.7-42.4177.4-74.1-179.4-166.9-1776.8112.6E176 G216 K217 E223 H224E176-R220 IonicContact OE1-CZ 3.69Å; E176-R220 IonicContact OE1-NH1 3.74Å; E176-R220 PolarHBondContact OE1-NH1 2.84Å; G216-R220 WeakPolarHBondContact O-CG 3.19Å; G216-R220 PolarHBondContact O-N 3.49Å; K217-R220 PolarHBondContact O-N 3.17Å; R220-E223 PolarHBondContact O-N 3.48Å; R220-H224 WeakPolarHBondContact O-CB 3.33Å; R220-H224 PolarHBondContact O-N 2.78Å
221I90.5Very high82.9Confident3 Ų340.7 Ų40.72%0.01523%0.233CC..Hα-helixtrans-61.4-47.9175.1-69.4163.3000110L174 L179 L185 K217 L218 I219 E223 H224 Y225 I238L174-I221 HydrophobicContact CB-CD1 4.29Å; L174-I221 HydrophobicContact CD1-CD1 4.43Å; L174-I221 HydrophobicContact CD2-CD1 3.69Å; L174-I221 HydrophobicContact CG-CD1 4.33Å; L179-I221 HydrophobicContact CD2-CB 4.33Å; L179-I221 HydrophobicContact CD2-CG1 3.62Å; L185-I221 HydrophobicContact CD1-CG2 4.45Å; L185-I221 HydrophobicContact CD2-CD1 4.25Å; K217-I221 WeakPolarHBondContact O-CG1 3.2Å; K217-I221 PolarHBondContact O-N 3.21Å; L218-I221 PolarHBondContact O-N 2.8Å; I219-I221 VanDerWaalsContact C-N 3.35Å; I219-I221 PolarHBondContact O-N 2.86Å; I221-E223 VanDerWaalsContact C-N 3.32Å; I221-E223 PolarHBondContact O-N 2.93Å; I221-H224 PolarHBondContact O-N 3.48Å; I221-Y225 HydrophobicContact CG2-CD2 3.94Å; I221-Y225 HydrophobicContact CG2-CE2 4.2Å; I221-Y225 WeakPolarHBondContact O-CD2 3.5Å; I221-Y225 PolarHBondContact O-N 3.38Å; I221-I238 HydrophobicContact CG2-CG2 3.49Å; I221-I238 VanDerWaalsContact CG2-CG2 3.49Å
222N89.5Confident81.6Confident1 Ų143.6 Ų43.61%0.00525%0.249CC..Hα-helixtrans-60.6-42.9-179.5-168.1-113.2000111.7L218 I219 R226 F239 S242 L246L218-N222 WeakPolarHBondContact O-CB 3.36Å; L218-N222 PolarHBondContact O-N 3.05Å; I219-N222 PolarHBondContact O-N 2.97Å; N222-R226 VanDerWaalsContact O-CB 3.27Å; N222-R226 WeakPolarHBondContact O-CB 3.38Å; N222-R226 PolarHBondContact O-N 2.93Å; N222-F239 VanDerWaalsContact ND2-CD2 3.29Å; N222-F239 WeakPolarHBondContact ND2-CD2 3.37Å; N222-F239 WeakPolarHBondContact ND2-CE2 2.89Å; N222-F239 PolarHBondContact ND2-O 2.77Å; N222-F239 VanDerWaalsContact ND2-O 3.17Å; N222-S242 WeakPolarHBondContact CA-OG 3.26Å; N222-S242 WeakPolarHBondContact CB-OG 3.39Å; N222-S242 PolarHBondContact ND2-OG 3.15Å; N222-L246 HydrophobicContact CB-CD1 3.95Å
223E87.6Confident80.5Confident59 Ų5949.1 Ų49.128%0.27627%0.27SS..Hα-helixtrans-68.7-39.2178-164.764.2-145.400112.5I219 R220 I221 Y225 R226 A227 F265I219-E223 WeakPolarHBondContact O-CB 3.09Å; I219-E223 PolarHBondContact O-N 3.21Å; R220-E223 PolarHBondContact O-N 3.48Å; I221-E223 VanDerWaalsContact C-N 3.32Å; I221-E223 PolarHBondContact O-N 2.93Å; E223-Y225 PolarHBondContact O-N 2.78Å; E223-R226 WeakPolarHBondContact O-CB 3.25Å; E223-R226 PolarHBondContact O-N 2.92Å; E223-R226 WeakPolarHBondContact OE1-CD 3.49Å; E223-R226 IonicContact OE1-CZ 3.96Å; E223-R226 IonicContact OE1-NE 3.1Å; E223-R226 IonicContact OE1-NH1 3.43Å; E223-R226 PolarHBondContact OE1-NH1 3.01Å; E223-R226 IonicContact OE2-NH1 2.78Å; E223-A227 PolarHBondContact O-N 3.23Å; E223-F265 WeakPolarHBondContact OE2-CB 3.17Å; E223-F265 PolarHBondContact OE2-N 3.08Å
224H87.4Confident79.6Confident81 Ų8146.7 Ų46.738%0.37526%0.264SS..Hα-helixtrans-59.9-48.6176-177.676.9000111.3L179 R220 I221 R226 A228L179-H224 HydrophobicContact CD1-CB 4.4Å; L179-H224 HydrophobicContact CD2-CB 4.24Å; R220-H224 WeakPolarHBondContact O-CB 3.33Å; R220-H224 PolarHBondContact O-N 2.78Å; I221-H224 PolarHBondContact O-N 3.48Å; H224-R226 VanDerWaalsContact C-N 3.35Å; H224-A228 PolarHBondContact O-N 2.55Å
225Y87.2Confident79.1Confident10 Ų1046.7 Ų46.74%0.03926%0.264CS..Hα-helixtrans-78.6-17.1179.4-74.9-74.8000113.7L179 P182 L185 I221 E223 A228 G235 I238L179-Y225 PolarHBondContact O-OH 3.24Å; P182-Y225 WeakPolarHBondContact CA-OH 3.05Å; L185-Y225 HydrophobicContact CD1-CE2 3.63Å; I221-Y225 HydrophobicContact CG2-CD2 3.94Å; I221-Y225 HydrophobicContact CG2-CE2 4.2Å; I221-Y225 WeakPolarHBondContact O-CD2 3.5Å; I221-Y225 PolarHBondContact O-N 3.38Å; E223-Y225 PolarHBondContact O-N 2.78Å; Y225-A228 HydrophobicContact CD1-CB 4.38Å; Y225-A228 PolarHBondContact O-N 3.31Å; Y225-G235 VanDerWaalsContact CD1-CA 3.4Å; Y225-I238 HydrophobicContact CD1-CB 4.42Å; Y225-I238 HydrophobicContact CD2-CB 3.84Å; Y225-I238 HydrophobicContact CD2-CG2 3.39Å; Y225-I238 HydrophobicContact CE1-CB 4.42Å; Y225-I238 HydrophobicContact CE2-CB 3.86Å; Y225-I238 HydrophobicContact CE2-CG1 4.28Å; Y225-I238 HydrophobicContact CE2-CG2 3.36Å; Y225-I238 HydrophobicContact CG-CB 4.11Å; Y225-I238 HydrophobicContact CG-CG2 4.15Å
226R82Confident78.8Confident71 Ų7146.8 Ų46.827%0.26827%0.265SS..Hα-helixtrans-61.9-49169.9176.7-167.2176-155.80.5111.5N222 E223 H224 A228 F239 D322N222-R226 VanDerWaalsContact O-CB 3.27Å; N222-R226 WeakPolarHBondContact O-CB 3.38Å; N222-R226 PolarHBondContact O-N 2.93Å; E223-R226 WeakPolarHBondContact O-CB 3.25Å; E223-R226 PolarHBondContact O-N 2.92Å; E223-R226 WeakPolarHBondContact OE1-CD 3.49Å; E223-R226 IonicContact OE1-CZ 3.96Å; E223-R226 IonicContact OE1-NE 3.1Å; E223-R226 IonicContact OE1-NH1 3.43Å; E223-R226 PolarHBondContact OE1-NH1 3.01Å; E223-R226 IonicContact OE2-NH1 2.78Å; H224-R226 VanDerWaalsContact C-N 3.35Å; R226-A228 VanDerWaalsContact C-N 3.27Å; R226-A228 PolarHBondContact O-N 3.21Å; R226-F239 HydrophobicContact CB-CD2 4.27Å; R226-F239 HydrophobicContact CB-CE2 3.96Å; R226-F239 HydrophobicContact CG-CE2 4.44Å; R226-D322 HydrophobicContact CG-CB 3.94Å; R226-D322 IonicContact CZ-OD2 2.82Å; R226-D322 IonicContact NE-OD1 3.65Å; R226-D322 IonicContact NE-OD2 3.14Å; R226-D322 PolarHBondContact NE-OD2 3.49Å; R226-D322 IonicContact NH2-OD2 3.92Å; R226-D322 PolarHBondContact NH2-OD2 2.9Å; R226-D322 VanDerWaalsContact NH2-OD2 3.1Å
227A72Confident78.7Confident83 Ų8348.6 Ų48.669%0.68627%0.267SS*.SBendtrans-78.8-9.2-178.600000113.5E223E223-A227 PolarHBondContact O-N 3.23Å
228A70.4Confident78.6Confident16 Ų1647.1 Ų47.113%0.13226%0.261CS..SBendtrans-67.8147.1-179.400000112.2H224 Y225 R226H224-A228 PolarHBondContact O-N 2.55Å; Y225-A228 HydrophobicContact CD1-CB 4.38Å; Y225-A228 PolarHBondContact O-N 3.31Å; R226-A228 VanDerWaalsContact C-N 3.27Å; R226-A228 PolarHBondContact O-N 3.21Å
229S63.4Low78.5Confident56 Ų5647.1 Ų47.139%0.39226%0.261SS..  trans-67.6145.4177.9700000111.2S231 D232S229-S231 PolarHBondContact O-N 2.77Å; S229-S231 PolarHBondContact OG-OG 3.48Å; S229-D232 PolarHBondContact N-OD2 3.13Å; S229-D232 PolarHBondContact O-N 3.5Å; S229-D232 VanDerWaalsContact O-N 3.12Å; S229-D232 PolarHBondContact OG-OD2 3.39Å; S229-D232 VanDerWaalsContact OG-OD2 3.1Å
230L64.1Low78.5Confident31 Ų3146.3 Ų46.316%0.16226%0.257CS..THydrogen-bonded Turntrans-65.9-7.9176.8-65.2-179.6000114.3D232 V318 W321 V361 N362L230-D232 VanDerWaalsContact C-N 3.28Å; L230-V318 VanDerWaalsContact CD1-C 3.49Å; L230-V318 HydrophobicContact CD1-CB 3.75Å; L230-V318 HydrophobicContact CD1-CG1 3.9Å; L230-V318 WeakPolarHBondContact CD1-O 3.39Å; L230-V318 HydrophobicContact CD2-CG1 4.26Å; L230-W321 HydrophobicContact CD2-CD2 3.71Å; L230-W321 VanDerWaalsContact CD2-CE2 3.46Å; L230-W321 HydrophobicContact CD2-CE3 3.96Å; L230-W321 HydrophobicContact CD2-CG 4.33Å; L230-W321 HydrophobicContact CD2-CH2 3.83Å; L230-W321 HydrophobicContact CD2-CZ2 3.56Å; L230-W321 HydrophobicContact CD2-CZ3 3.99Å; L230-V361 HydrophobicContact CD1-CG1 3.93Å; L230-V361 HydrophobicContact CD2-CG1 4.11Å; L230-V361 HydrophobicContact CG-CG1 4.46Å; L230-N362 PolarHBondContact O-ND2 3.17Å
231S59.2Low78.6Confident90 Ų9039.4 Ų39.463%0.62923%0.231SC*.THydrogen-bonded Turntrans-75.6-13.817337.70000113.5S229 N233S229-S231 PolarHBondContact O-N 2.77Å; S229-S231 PolarHBondContact OG-OG 3.48Å; S231-N233 PolarHBondContact O-N 3.04Å; S231-N233 VanDerWaalsContact O-N 3.09Å
232D58.7Low78.7Confident79 Ų7939.3 Ų39.342%0.42223%0.23SC..SBendtrans-75.7101-179.4-64.9-38.6000110.3S229 L230 G234 G235S229-D232 PolarHBondContact N-OD2 3.13Å; S229-D232 PolarHBondContact O-N 3.5Å; S229-D232 VanDerWaalsContact O-N 3.12Å; S229-D232 PolarHBondContact OG-OD2 3.39Å; S229-D232 VanDerWaalsContact OG-OD2 3.1Å; L230-D232 VanDerWaalsContact C-N 3.28Å; D232-G234 PolarHBondContact O-N 3.33Å; D232-G235 PolarHBondContact O-N 3.39Å
233N61Low78.7Confident154 Ų15439.2 Ų39.282%0.82423%0.23SC*.THydrogen-bonded Turntrans-56.897174.8-82.3-13.7000110.1S231S231-N233 PolarHBondContact O-N 3.04Å; S231-N233 VanDerWaalsContact O-N 3.09Å
234G70.5Confident78.8Confident29 Ų2936.4 Ų36.430%0.29922%0.217SC..THydrogen-bonded Turntrans120.6-16.1177.400000115D232 G236 E237 I238D232-G234 PolarHBondContact O-N 3.33Å; G234-G236 VanDerWaalsContact C-N 3.31Å; G234-G236 PolarHBondContact O-N 2.9Å; G234-E237 PolarHBondContact O-N 3.26Å; G234-E237 VanDerWaalsContact O-N 3.15Å; G234-I238 PolarHBondContact O-N 3.46Å
235G79.5Confident79Confident1 Ų132.6 Ų32.61%0.0120%0.199CC..Hα-helixtrans-60.5-39-176.700000113.7Y225 D232 E237 I238 F239Y225-G235 VanDerWaalsContact CD1-CA 3.4Å; D232-G235 PolarHBondContact O-N 3.39Å; G235-E237 PolarHBondContact O-N 3.19Å; G235-I238 PolarHBondContact O-N 3.36Å; G235-F239 WeakPolarHBondContact O-CB 3.44Å; G235-F239 PolarHBondContact O-N 2.92Å
236G81.9Confident79Confident2 Ų232.1 Ų32.12%0.02120%0.197CC..Hα-helixtrans-67.3-31.9177.700000114.2G234 D240 W321G234-G236 VanDerWaalsContact C-N 3.31Å; G234-G236 PolarHBondContact O-N 2.9Å; G236-D240 WeakPolarHBondContact O-CB 3.46Å; G236-D240 PolarHBondContact O-N 3.3Å; G236-W321 VanDerWaalsContact CA-CD2 3.41Å; G236-W321 VanDerWaalsContact CA-CZ2 3.4Å; G236-W321 VanDerWaalsContact N-CE2 3.3Å; G236-W321 VanDerWaalsContact N-CZ2 3.31Å
237E86.3Confident79Confident61 Ų6128.7 Ų28.729%0.28518%0.184SC..Hα-helixtrans-68-45.3174.4179.1-176.4153.200110.7S186 G234 G235 F239 D240 L241S186-E237 PolarHBondContact OG-OE1 3.35Å; G234-E237 PolarHBondContact O-N 3.26Å; G234-E237 VanDerWaalsContact O-N 3.15Å; G235-E237 PolarHBondContact O-N 3.19Å; E237-F239 VanDerWaalsContact C-N 3.34Å; E237-F239 PolarHBondContact O-N 3.32Å; E237-D240 PolarHBondContact O-N 3.04Å; E237-L241 HydrophobicContact CG-CD1 3.93Å; E237-L241 HydrophobicContact CG-CG 4.3Å; E237-L241 WeakPolarHBondContact O-CB 3.41Å; E237-L241 VanDerWaalsContact O-CG 3.29Å; E237-L241 WeakPolarHBondContact O-CG 3.48Å; E237-L241 PolarHBondContact O-N 3.16Å
238I89.4Confident79.3Confident1 Ų125.3 Ų25.31%0.00515%0.153CC..Hα-helixtrans-66.5-39179.3-55.5-55000111.3P182 L185 L189 I221 Y225 G234 G235 L241 S242P182-I238 HydrophobicContact CB-CG1 4.08Å; P182-I238 WeakPolarHBondContact O-CD1 3.41Å; L185-I238 HydrophobicContact CB-CD1 3.91Å; L185-I238 HydrophobicContact CB-CG1 4.48Å; L185-I238 HydrophobicContact CB-CG2 4.38Å; L185-I238 HydrophobicContact CD1-CG2 4.17Å; L189-I238 HydrophobicContact CD1-CG2 4.36Å; I221-I238 HydrophobicContact CG2-CG2 3.49Å; I221-I238 VanDerWaalsContact CG2-CG2 3.49Å; Y225-I238 HydrophobicContact CD1-CB 4.42Å; Y225-I238 HydrophobicContact CD2-CB 3.84Å; Y225-I238 HydrophobicContact CD2-CG2 3.39Å; Y225-I238 HydrophobicContact CE1-CB 4.42Å; Y225-I238 HydrophobicContact CE2-CB 3.86Å; Y225-I238 HydrophobicContact CE2-CG1 4.28Å; Y225-I238 HydrophobicContact CE2-CG2 3.36Å; Y225-I238 HydrophobicContact CG-CB 4.11Å; Y225-I238 HydrophobicContact CG-CG2 4.15Å; G234-I238 PolarHBondContact O-N 3.46Å; G235-I238 PolarHBondContact O-N 3.36Å; I238-L241 HydrophobicContact CD1-CD1 4.38Å; I238-L241 PolarHBondContact O-N 3.31Å; I238-S242 WeakPolarHBondContact O-CB 3.33Å; I238-S242 PolarHBondContact O-N 3.38Å; I238-S242 PolarHBondContact O-OG 3.08Å
239F89.1Confident79.8Confident0 Ų024.5 Ų24.50%015%0.147CC..Hα-helixtrans-57.8-49.8171.2-179.7-99.3000111.2N222 R226 G235 E237 L241 S242 F243 F265 W321 D322 L325 M367N222-F239 VanDerWaalsContact ND2-CD2 3.29Å; N222-F239 WeakPolarHBondContact ND2-CD2 3.37Å; N222-F239 WeakPolarHBondContact ND2-CE2 2.89Å; N222-F239 PolarHBondContact ND2-O 2.77Å; N222-F239 VanDerWaalsContact ND2-O 3.17Å; R226-F239 HydrophobicContact CB-CD2 4.27Å; R226-F239 HydrophobicContact CB-CE2 3.96Å; R226-F239 HydrophobicContact CG-CE2 4.44Å; G235-F239 WeakPolarHBondContact O-CB 3.44Å; G235-F239 PolarHBondContact O-N 2.92Å; E237-F239 VanDerWaalsContact C-N 3.34Å; E237-F239 PolarHBondContact O-N 3.32Å; F239-L241 PolarHBondContact O-N 2.94Å; F239-S242 PolarHBondContact O-OG 3.36Å; F239-F243 WeakPolarHBondContact O-CB 3.45Å; F239-F243 PolarHBondContact O-N 3.32Å; F239-F265 HydrophobicContact CE2-CD1 4.44Å; F239-F265 HydrophobicContact CE2-CE1 4.32Å; F239-F265 HydrophobicContact CZ-CD1 4.4Å; F239-F265 AromaticContact CZ-CE1 3.85Å; F239-F265 HydrophobicContact CZ-CE1 3.85Å; F239-F265 HydrophobicContact CZ-CZ 4.5Å; F239-W321 HydrophobicContact CB-CB 4.19Å; F239-W321 HydrophobicContact CB-CG 4.33Å; F239-W321 HydrophobicContact CD1-CB 3.45Å; F239-W321 VanDerWaalsContact CD1-CB 3.45Å; F239-W321 HydrophobicContact CD1-CG 4.36Å; F239-W321 HydrophobicContact CD2-CB 4.18Å; F239-W321 HydrophobicContact CE1-CB 3.76Å; F239-W321 HydrophobicContact CE2-CB 4.47Å; F239-W321 HydrophobicContact CG-CB 3.66Å; F239-W321 HydrophobicContact CG-CG 4.32Å; F239-W321 HydrophobicContact CZ-CB 4.27Å; F239-D322 HydrophobicContact CZ-CB 4.1Å; F239-L325 HydrophobicContact CE1-CD1 3.64Å; F239-L325 HydrophobicContact CE1-CG 4.23Å; F239-L325 HydrophobicContact CZ-CD1 3.88Å; F239-M367 HydrophobicContact CD1-SD 4.19Å; F239-M367 HydrophobicContact CE1-SD 4.5Å
240D89.5Confident80.2Confident0 Ų022 Ų220%013%0.13CC..Hα-helixtrans-60.6-46.8178.2-161.856.2000112.1G236 E237 F243 L244 M367 C368 S369 R414G236-D240 WeakPolarHBondContact O-CB 3.46Å; G236-D240 PolarHBondContact O-N 3.3Å; E237-D240 PolarHBondContact O-N 3.04Å; D240-F243 PolarHBondContact O-N 3.35Å; D240-L244 WeakPolarHBondContact O-CB 3.29Å; D240-L244 WeakPolarHBondContact O-CG 3.38Å; D240-L244 PolarHBondContact O-N 2.87Å; D240-M367 HydrophobicContact CB-CB 4.39Å; D240-M367 HydrophobicContact CB-CG 3.96Å; D240-M367 WeakPolarHBondContact OD1-CA 2.96Å; D240-C368 PolarHBondContact OD1-N 3.02Å; D240-C368 VanDerWaalsContact OD1-N 3.15Å; D240-C368 PolarHBondContact OD2-N 2.76Å; D240-C368 VanDerWaalsContact OD2-N 3.1Å; D240-C368 PolarHBondContact OD2-SG 2.91Å; D240-C368 VanDerWaalsContact OD2-SG 3.34Å; D240-S369 WeakPolarHBondContact OD1-CB 3.45Å; D240-S369 PolarHBondContact OD1-N 3Å; D240-S369 PolarHBondContact OD1-OG 3.22Å; D240-R414 WeakPolarHBondContact OD2-CD 3.48Å; D240-R414 IonicContact OD2-CZ 3.66Å; D240-R414 IonicContact OD2-NE 3.74Å; D240-R414 IonicContact OD2-NH1 2.77Å; D240-R414 PolarHBondContact OD2-NH1 3.16Å
241L91.9Very high80.5Confident0 Ų021 Ų210%012%0.124CC..Hα-helixtrans-61.8-53-179.7-73.8173.3000111.3L189 M193 E237 I238 F239 F243 L244 L245 R414L189-L241 HydrophobicContact CB-CB 4.22Å; L189-L241 HydrophobicContact CB-CD1 4.03Å; L189-L241 HydrophobicContact CD1-CB 3.97Å; M193-L241 HydrophobicContact CE-CD2 4.03Å; M193-L241 HydrophobicContact CG-CD2 3.54Å; M193-L241 HydrophobicContact SD-CD2 4.06Å; E237-L241 HydrophobicContact CG-CD1 3.93Å; E237-L241 HydrophobicContact CG-CG 4.3Å; E237-L241 WeakPolarHBondContact O-CB 3.41Å; E237-L241 VanDerWaalsContact O-CG 3.29Å; E237-L241 WeakPolarHBondContact O-CG 3.48Å; E237-L241 PolarHBondContact O-N 3.16Å; I238-L241 HydrophobicContact CD1-CD1 4.38Å; I238-L241 PolarHBondContact O-N 3.31Å; F239-L241 PolarHBondContact O-N 2.94Å; L241-F243 VanDerWaalsContact C-N 3.3Å; L241-F243 PolarHBondContact O-N 3.28Å; L241-L244 PolarHBondContact O-N 2.96Å; L241-L245 WeakPolarHBondContact O-CB 3.47Å; L241-L245 VanDerWaalsContact O-CG 3.22Å; L241-L245 WeakPolarHBondContact O-CG 3.29Å; L241-L245 PolarHBondContact O-N 3.44Å; L241-R414 HydrophobicContact CD2-CG 4.26Å
242S91.5Very high80.9Confident0 Ų018 Ų180%010%0.099CC..Hα-helixtrans-60.3-41.2178.856.50000111.6N222 I238 F239 L245 L246N222-S242 WeakPolarHBondContact CA-OG 3.26Å; N222-S242 WeakPolarHBondContact CB-OG 3.39Å; N222-S242 PolarHBondContact ND2-OG 3.15Å; I238-S242 WeakPolarHBondContact O-CB 3.33Å; I238-S242 PolarHBondContact O-N 3.38Å; I238-S242 PolarHBondContact O-OG 3.08Å; F239-S242 PolarHBondContact O-OG 3.36Å; S242-L245 PolarHBondContact O-N 3.31Å; S242-L246 WeakPolarHBondContact O-CB 3.38Å; S242-L246 VanDerWaalsContact O-CG 3.24Å; S242-L246 WeakPolarHBondContact O-CG 3.45Å; S242-L246 PolarHBondContact O-N 3.01Å
243F90.3Very high81.1Confident0 Ų014.8 Ų14.80%08%0.082CC..Hα-helixtrans-63.2-48.9176.5-178-94.6000112.3F239 D240 L241 L245 L246 H247 F265 F266 W269 L325F239-F243 WeakPolarHBondContact O-CB 3.45Å; F239-F243 PolarHBondContact O-N 3.32Å; D240-F243 PolarHBondContact O-N 3.35Å; L241-F243 VanDerWaalsContact C-N 3.3Å; L241-F243 PolarHBondContact O-N 3.28Å; F243-L245 VanDerWaalsContact C-N 3.31Å; F243-L245 PolarHBondContact O-N 3.37Å; F243-L246 PolarHBondContact O-N 3.39Å; F243-H247 WeakPolarHBondContact O-CB 3.48Å; F243-H247 PolarHBondContact O-N 2.91Å; F243-F265 HydrophobicContact CD2-CE1 4.2Å; F243-F265 HydrophobicContact CE2-CE1 4.1Å; F243-F266 HydrophobicContact CD2-CD2 4.08Å; F243-F266 HydrophobicContact CD2-CE2 4.49Å; F243-F266 HydrophobicContact CE2-CD2 4.06Å; F243-F266 HydrophobicContact CE2-CE2 4.35Å; F243-W269 HydrophobicContact CE1-CH2 4.26Å; F243-W269 HydrophobicContact CE1-CZ2 4.45Å; F243-W269 AromaticContact CE2-CD2 3.95Å; F243-W269 HydrophobicContact CE2-CD2 3.95Å; F243-W269 AromaticContact CE2-CE3 3.83Å; F243-W269 HydrophobicContact CE2-CE3 3.83Å; F243-W269 HydrophobicContact CE2-CH2 4.33Å; F243-W269 HydrophobicContact CE2-CZ2 4.44Å; F243-W269 HydrophobicContact CE2-CZ3 4.03Å; F243-W269 AromaticContact CZ-CD2 3.92Å; F243-W269 HydrophobicContact CZ-CD2 3.92Å; F243-W269 AromaticContact CZ-CE2 3.76Å; F243-W269 AromaticContact CZ-CE3 3.83Å; F243-W269 HydrophobicContact CZ-CE3 3.83Å; F243-W269 AromaticContact CZ-CH2 3.49Å; F243-W269 HydrophobicContact CZ-CH2 3.49Å; F243-W269 VanDerWaalsContact CZ-CH2 3.49Å; F243-W269 AromaticContact CZ-CZ2 3.59Å; F243-W269 HydrophobicContact CZ-CZ2 3.59Å; F243-W269 AromaticContact CZ-CZ3 3.62Å; F243-W269 HydrophobicContact CZ-CZ3 3.62Å; F243-L325 HydrophobicContact CD1-CD1 4.18Å; F243-L325 HydrophobicContact CD2-CD1 3.87Å; F243-L325 HydrophobicContact CE1-CD1 4.01Å; F243-L325 HydrophobicContact CE2-CD1 3.68Å; F243-L325 HydrophobicContact CG-CD1 4.1Å; F243-L325 HydrophobicContact CZ-CD1 3.75Å
244L90Very high81.1Confident0 Ų08 Ų80%05%0.046CC..Hα-helixtrans-62.2-39178.7-72.3170.7000111.8M193 D240 L241 R248 L372 R414 F417 M418M193-L244 HydrophobicContact CE-CB 3.69Å; M193-L244 HydrophobicContact CE-CD1 3.55Å; M193-L244 HydrophobicContact CE-CG 4.28Å; D240-L244 WeakPolarHBondContact O-CB 3.29Å; D240-L244 WeakPolarHBondContact O-CG 3.38Å; D240-L244 PolarHBondContact O-N 2.87Å; L241-L244 PolarHBondContact O-N 2.96Å; L244-R248 WeakPolarHBondContact O-CB 3.41Å; L244-R248 PolarHBondContact O-N 3.33Å; L244-L372 HydrophobicContact CD2-CD2 3.67Å; L244-R414 HydrophobicContact CD1-CG 3.85Å; L244-F417 HydrophobicContact CB-CD1 4.22Å; L244-F417 HydrophobicContact CB-CE1 3.98Å; L244-F417 WeakPolarHBondContact O-CE1 3.22Å; L244-M418 HydrophobicContact CD1-CB 4.44Å; L244-M418 HydrophobicContact CD2-CB 4.06Å; L244-M418 HydrophobicContact CD2-CG 3.96Å
245L91Very high80.7Confident0 Ų06.7 Ų6.70%03%0.032CC..Hα-helixtrans-66.8-47.6176.1-69.7175000111.7L189 L192 M193 L198 L218 L241 S242 F243 H247 R248 L249 F417L189-L245 HydrophobicContact CB-CD1 4.21Å; L189-L245 HydrophobicContact CD2-CD1 3.71Å; L189-L245 HydrophobicContact CG-CD1 4.38Å; L192-L245 HydrophobicContact CB-CD1 4.36Å; L192-L245 HydrophobicContact CB-CD2 3.86Å; L192-L245 HydrophobicContact CD1-CD1 4.03Å; M193-L245 HydrophobicContact SD-CD1 4.47Å; M193-L245 HydrophobicContact SD-CD2 3.48Å; M193-L245 WeakPolarHBondContact SD-CD2 3.21Å; M193-L245 HydrophobicContact SD-CG 3.76Å; L198-L245 HydrophobicContact CD1-CD2 3.92Å; L198-L245 HydrophobicContact CD2-CD2 3.71Å; L198-L245 HydrophobicContact CG-CD2 4.34Å; L218-L245 HydrophobicContact CD1-CB 4.17Å; L218-L245 HydrophobicContact CD2-CD1 4.2Å; L241-L245 WeakPolarHBondContact O-CB 3.47Å; L241-L245 VanDerWaalsContact O-CG 3.22Å; L241-L245 WeakPolarHBondContact O-CG 3.29Å; L241-L245 PolarHBondContact O-N 3.44Å; S242-L245 PolarHBondContact O-N 3.31Å; F243-L245 VanDerWaalsContact C-N 3.31Å; F243-L245 PolarHBondContact O-N 3.37Å; L245-H247 VanDerWaalsContact C-N 3.29Å; L245-H247 PolarHBondContact O-N 2.97Å; L245-R248 PolarHBondContact O-N 3.35Å; L245-R248 VanDerWaalsContact O-N 3.13Å; L245-L249 WeakPolarHBondContact O-CG 3.35Å; L245-L249 PolarHBondContact O-N 3.16Å; L245-F417 HydrophobicContact CD2-CE2 4.47Å; L245-F417 HydrophobicContact CD2-CZ 4.05Å
246L87.3Confident79.9Confident0 Ų011.8 Ų11.80%05%0.054CC..Hα-helixtrans-59.1-42.6174.8-74.7168.7000111.8L218 I219 N222 S242 F243 R248 L249 S250 F266L218-L246 HydrophobicContact CB-CD1 4.37Å; L218-L246 HydrophobicContact CB-CD2 3.63Å; L218-L246 HydrophobicContact CB-CG 3.87Å; L218-L246 HydrophobicContact CD1-CD2 4.37Å; I219-L246 HydrophobicContact CG1-CD1 4.08Å; I219-L246 HydrophobicContact CG1-CD2 3.69Å; N222-L246 HydrophobicContact CB-CD1 3.95Å; S242-L246 WeakPolarHBondContact O-CB 3.38Å; S242-L246 VanDerWaalsContact O-CG 3.24Å; S242-L246 WeakPolarHBondContact O-CG 3.45Å; S242-L246 PolarHBondContact O-N 3.01Å; F243-L246 PolarHBondContact O-N 3.39Å; L246-R248 VanDerWaalsContact C-N 3.34Å; L246-L249 HydrophobicContact CD2-CD1 4.44Å; L246-L249 WeakPolarHBondContact O-CB 3.33Å; L246-L249 PolarHBondContact O-N 3.02Å; L246-S250 PolarHBondContact O-N 3.26Å; L246-F266 VanDerWaalsContact C-CZ 3.49Å; L246-F266 HydrophobicContact CB-CD1 4.43Å; L246-F266 HydrophobicContact CB-CD2 3.83Å; L246-F266 HydrophobicContact CB-CE1 4.18Å; L246-F266 HydrophobicContact CB-CE2 3.54Å; L246-F266 HydrophobicContact CB-CG 4.27Å; L246-F266 HydrophobicContact CB-CZ 3.73Å; L246-F266 HydrophobicContact CD1-CB 4.38Å; L246-F266 HydrophobicContact CD1-CD2 4.16Å; L246-F266 HydrophobicContact CD1-CG 4.16Å; L246-F266 WeakPolarHBondContact O-CZ 3.44Å
247H81.3Confident78.8Confident0 Ų016.1 Ų16.10%07%0.072CC..Hα-helixtrans-61.7-43.6174.5-174.1-66.4000111.4F243 L245 L249 S250 Q251 F266 W269 L372 F425F243-H247 WeakPolarHBondContact O-CB 3.48Å; F243-H247 PolarHBondContact O-N 2.91Å; L245-H247 VanDerWaalsContact C-N 3.29Å; L245-H247 PolarHBondContact O-N 2.97Å; H247-L249 VanDerWaalsContact C-N 3.34Å; H247-S250 PolarHBondContact O-N 3.42Å; H247-S250 PolarHBondContact O-OG 2.9Å; H247-Q251 PolarHBondContact CE1-NE2 3.26Å; H247-Q251 WeakPolarHBondContact O-CG 3.37Å; H247-Q251 PolarHBondContact O-N 3.32Å; H247-F266 HydrophobicContact CB-CE2 4.37Å; H247-W269 AromaticContact CD2-CH2 3.56Å; H247-W269 AromaticContact CD2-CZ3 3.75Å; H247-L372 HydrophobicContact CB-CD2 4.33Å; H247-F425 AromaticContact CE1-CE2 3.2Å; H247-F425 WeakPolarHBondContact CE1-CE2 3.3Å; H247-F425 AromaticContact CE1-CZ 3.41Å; H247-F425 VanDerWaalsContact CE1-CZ 3.41Å; H247-F425 WeakPolarHBondContact CE1-CZ 3.37Å; H247-F425 AromaticContact NE2-CE2 3.29Å; H247-F425 VanDerWaalsContact NE2-CE2 3.29Å; H247-F425 WeakPolarHBondContact NE2-CE2 3.41Å; H247-F425 AromaticContact NE2-CZ 3.44Å; H247-F425 WeakPolarHBondContact NE2-CZ 3.23Å
248R80Confident77.9Confident11 Ų1113.7 Ų13.74%0.0426%0.061CC..Hα-helixtrans-68.2-36.1178.4-175.565.876.61394.6111.8L198 L244 L245 L246 S250 Q251 Y252 F417 N420 S421L198-R248 HydrophobicContact CD2-CB 3.95Å; L198-R248 HydrophobicContact CD2-CG 3.59Å; L244-R248 WeakPolarHBondContact O-CB 3.41Å; L244-R248 PolarHBondContact O-N 3.33Å; L245-R248 PolarHBondContact O-N 3.35Å; L245-R248 VanDerWaalsContact O-N 3.13Å; L246-R248 VanDerWaalsContact C-N 3.34Å; R248-S250 VanDerWaalsContact C-N 3.33Å; R248-S250 PolarHBondContact O-N 3.23Å; R248-Q251 PolarHBondContact O-N 3.42Å; R248-Y252 VanDerWaalsContact CD-CE2 3.48Å; R248-Y252 HydrophobicContact CG-CD2 3.87Å; R248-Y252 HydrophobicContact CG-CE2 3.41Å; R248-Y252 VanDerWaalsContact CG-CE2 3.41Å; R248-Y252 PolarHBondContact NH1-OH 2.89Å; R248-Y252 VanDerWaalsContact O-CD2 3.25Å; R248-Y252 WeakPolarHBondContact O-CD2 3.28Å; R248-Y252 PolarHBondContact O-N 3.06Å; R248-F417 HydrophobicContact CB-CE1 3.8Å; R248-F417 HydrophobicContact CB-CE2 4.43Å; R248-F417 HydrophobicContact CB-CZ 3.38Å; R248-F417 HydrophobicContact CG-CE1 4.25Å; R248-F417 HydrophobicContact CG-CE2 4.12Å; R248-F417 HydrophobicContact CG-CZ 3.51Å; R248-F417 PolarHBondContact NH2-O 2.82Å; R248-N420 VanDerWaalsContact NH2-CB 3.34Å; R248-S421 PolarHBondContact NE-OG 3.18Å; R248-S421 PolarHBondContact NH2-OG 3.37Å
249L79.2Confident77Confident0 Ų014.1 Ų14.10%06%0.063CC..Hα-helixtrans-57.8-46172.9-75.8176.1000111.5V202 M211 F214 A215 L218 L245 L246 H247 Q251 Y252 H253 W258V202-L249 HydrophobicContact CB-CD2 4.13Å; V202-L249 HydrophobicContact CG1-CD2 3.54Å; V202-L249 HydrophobicContact CG2-CD2 3.33Å; M211-L249 HydrophobicContact SD-CD2 4.05Å; F214-L249 HydrophobicContact CD1-CD1 4.09Å; F214-L249 HydrophobicContact CD1-CD2 4.37Å; F214-L249 HydrophobicContact CE1-CD1 3.96Å; F214-L249 HydrophobicContact CE1-CD2 4.11Å; F214-L249 HydrophobicContact CE1-CG 4.5Å; A215-L249 HydrophobicContact CB-CD1 4.32Å; L218-L249 HydrophobicContact CD1-CD1 3.66Å; L245-L249 WeakPolarHBondContact O-CG 3.35Å; L245-L249 PolarHBondContact O-N 3.16Å; L246-L249 HydrophobicContact CD2-CD1 4.44Å; L246-L249 WeakPolarHBondContact O-CB 3.33Å; L246-L249 PolarHBondContact O-N 3.02Å; H247-L249 VanDerWaalsContact C-N 3.34Å; L249-Q251 PolarHBondContact O-N 3.02Å; L249-Y252 PolarHBondContact O-N 3.32Å; L249-Y252 VanDerWaalsContact O-N 3.08Å; L249-H253 PolarHBondContact O-N 3.22Å; L249-W258 HydrophobicContact CB-CH2 4.39Å; L249-W258 HydrophobicContact CB-CZ2 4.19Å
250S72.6Confident75.6Confident3 Ų317.6 Ų17.62%0.0219%0.085CC..Hα-helixtrans-69.1-22.2178.567.10000113.8L246 H247 R248 Y270L246-S250 PolarHBondContact O-N 3.26Å; H247-S250 PolarHBondContact O-N 3.42Å; H247-S250 PolarHBondContact O-OG 2.9Å; R248-S250 VanDerWaalsContact C-N 3.33Å; R248-S250 PolarHBondContact O-N 3.23Å; S250-Y270 WeakPolarHBondContact OG-CE2 3.23Å
251Q70.2Confident74.1Confident9 Ų923.9 Ų23.94%0.04213%0.126CC..Hα-helixtrans-76.5-24.9170-65.1-178.3-40.600113.2H247 R248 L249 V278 S421 R424H247-Q251 PolarHBondContact CE1-NE2 3.26Å; H247-Q251 WeakPolarHBondContact O-CG 3.37Å; H247-Q251 PolarHBondContact O-N 3.32Å; R248-Q251 PolarHBondContact O-N 3.42Å; L249-Q251 PolarHBondContact O-N 3.02Å; Q251-V278 HydrophobicContact CG-CG2 4.23Å; Q251-S421 PolarHBondContact NE2-O 3.24Å; Q251-R424 PolarHBondContact O-NH1 3.29Å; Q251-R424 VanDerWaalsContact O-NH1 3.14Å; Q251-R424 PolarHBondContact O-NH2 3.43Å
252Y67.1Low72.5Confident28 Ų2826.1 Ų26.111%0.1115%0.149CC..Hα-helixtrans-94.5-28.5177.9-68.8-55.2000113.3P58 L199 R248 L249 F461P58-Y252 HydrophobicContact CG-CD1 4.43Å; P58-Y252 HydrophobicContact CG-CE1 4.27Å; L199-Y252 HydrophobicContact CD1-CE1 4.26Å; R248-Y252 VanDerWaalsContact CD-CE2 3.48Å; R248-Y252 HydrophobicContact CG-CD2 3.87Å; R248-Y252 HydrophobicContact CG-CE2 3.41Å; R248-Y252 VanDerWaalsContact CG-CE2 3.41Å; R248-Y252 PolarHBondContact NH1-OH 2.89Å; R248-Y252 VanDerWaalsContact O-CD2 3.25Å; R248-Y252 WeakPolarHBondContact O-CD2 3.28Å; R248-Y252 PolarHBondContact O-N 3.06Å; L249-Y252 PolarHBondContact O-N 3.32Å; L249-Y252 VanDerWaalsContact O-N 3.08Å; Y252-F461 HydrophobicContact CD1-CD2 4.43Å; Y252-F461 HydrophobicContact CD1-CE2 4.08Å; Y252-F461 HydrophobicContact CE1-CD2 4.25Å; Y252-F461 HydrophobicContact CE1-CE2 4.33Å
253H62.6Low70.8Confident12 Ų1232.3 Ų32.36%0.05618%0.183CC..SBendtrans-134.7148.8-168.7-57.5-60.6000112.9H13 V202 L249 T255H13-H253 HydrophobicContact CB-CB 4.38Å; H13-H253 AromaticContact CD2-ND1 3.48Å; H13-H253 PolarHBondContact CD2-ND1 2.84Å; H13-H253 AromaticContact CE1-CE1 3.1Å; H13-H253 PolarHBondContact CE1-CE1 2.98Å; H13-H253 AromaticContact CE1-ND1 3Å; H13-H253 PolarHBondContact CE1-ND1 3.23Å; H13-H253 AromaticContact CG-ND1 3.14Å; H13-H253 AromaticContact ND1-CE1 3.37Å; H13-H253 PolarHBondContact ND1-CE1 2.91Å; H13-H253 AromaticContact ND1-CG 3.93Å; H13-H253 AromaticContact ND1-ND1 2.82Å; H13-H253 PolarHBondContact ND1-ND1 3.24Å; H13-H253 AromaticContact NE2-CE1 3.6Å; H13-H253 AromaticContact NE2-ND1 3.36Å; H13-H253 PolarHBondContact NE2-ND1 3.48Å; V202-H253 WeakPolarHBondContact CG1-CD2 3.42Å; V202-H253 WeakPolarHBondContact CG1-NE2 3.39Å; L249-H253 PolarHBondContact O-N 3.22Å; H253-T255 PolarHBondContact O-N 3.46Å
254S61.7Low69.7Low10 Ų1033.4 Ų33.47%0.0719%0.189CC..  trans-51.1131.8165.8-179.70000111.5K256 W258 E496S254-K256 VanDerWaalsContact C-N 3.31Å; S254-K256 WeakPolarHBondContact OG-CB 3.34Å; S254-K256 PolarHBondContact OG-N 3.17Å; S254-K256 VanDerWaalsContact OG-N 3.14Å; S254-W258 VanDerWaalsContact O-CD1 3.24Å; S254-W258 PolarHBondContact O-NE1 2.84Å; S254-E496 WeakPolarHBondContact CB-OE1 3.06Å; S254-E496 PolarHBondContact OG-OE1 2.83Å
255T62.5Low68.9Low2 Ų233.9 Ų33.91%0.01219%0.192CC..THydrogen-bonded Turntrans-80-11.7172.1590000113.4H253 F257 W258 L259 Y270H253-T255 PolarHBondContact O-N 3.46Å; T255-F257 PolarHBondContact O-N 3.11Å; T255-W258 HydrophobicContact CG2-CH2 3.82Å; T255-W258 HydrophobicContact CG2-CZ2 3.62Å; T255-L259 HydrophobicContact CG2-CD2 4.43Å; T255-L259 WeakPolarHBondContact O-CB 3.43Å; T255-L259 PolarHBondContact O-N 3.1Å; T255-L259 VanDerWaalsContact O-N 3.1Å; T255-Y270 HydrophobicContact CG2-CD1 3.93Å; T255-Y270 HydrophobicContact CG2-CE1 3.27Å; T255-Y270 HydrophobicContact CG2-CE2 4.27Å; T255-Y270 VanDerWaalsContact CG2-CZ 3.49Å
256K61.6Low68.1Low108 Ų10834 Ų3447%0.4719%0.192SC..THydrogen-bonded Turntrans-57.1-26.4-173.6-179.7177.1175.2-178.60113.3S254 D534S254-K256 VanDerWaalsContact C-N 3.31Å; S254-K256 WeakPolarHBondContact OG-CB 3.34Å; S254-K256 PolarHBondContact OG-N 3.17Å; S254-K256 VanDerWaalsContact OG-N 3.14Å; K256-D534 IonicContact NZ-OD2 3.53Å; K256-D534 PolarHBondContact NZ-OD2 2.9Å
257F60.6Low67Low93 Ų9335.1 Ų35.141%0.40820%0.197SC..THydrogen-bonded Turntrans-108.6-23.8-167.5-59.1-78.8000115.2H13 M14 T255H13-F257 WeakPolarHBondContact O-CD2 3.44Å; M14-F257 VanDerWaalsContact CA-CD2 3.42Å; M14-F257 HydrophobicContact CB-CD2 4.09Å; M14-F257 HydrophobicContact CB-CE1 4.27Å; M14-F257 HydrophobicContact CB-CE2 3.4Å; M14-F257 HydrophobicContact CB-CZ 3.46Å; M14-F257 VanDerWaalsContact CB-CZ 3.46Å; M14-F257 HydrophobicContact CE-CE2 4.42Å; M14-F257 HydrophobicContact CG-CD2 4.24Å; M14-F257 HydrophobicContact CG-CE2 3.46Å; M14-F257 VanDerWaalsContact CG-CE2 3.46Å; M14-F257 HydrophobicContact CG-CZ 3.94Å; M14-F257 WeakPolarHBondContact O-CD1 3.46Å; M14-F257 WeakPolarHBondContact O-CE1 3.12Å; M14-F257 WeakPolarHBondContact O-CZ 3.47Å; M14-F257 HydrophobicContact SD-CE2 4.4Å; T255-F257 PolarHBondContact O-N 3.11Å
258W67.1Low66.3Low11 Ų1136.2 Ų36.24%0.04221%0.205CC..THydrogen-bonded Turntrans-117.2-10.1-178.557-100.7000113.4M211 A215 I219 L249 S254 T255 P260 F266M211-W258 HydrophobicContact CG-CB 4.24Å; M211-W258 HydrophobicContact CG-CG 4.04Å; A215-W258 HydrophobicContact CB-CB 4.01Å; A215-W258 HydrophobicContact CB-CD2 3.75Å; A215-W258 HydrophobicContact CB-CE3 3.43Å; A215-W258 VanDerWaalsContact CB-CE3 3.43Å; A215-W258 HydrophobicContact CB-CG 4.03Å; A215-W258 HydrophobicContact CB-CZ3 4.13Å; I219-W258 HydrophobicContact CD1-CZ3 4.5Å; L249-W258 HydrophobicContact CB-CH2 4.39Å; L249-W258 HydrophobicContact CB-CZ2 4.19Å; S254-W258 VanDerWaalsContact O-CD1 3.24Å; S254-W258 PolarHBondContact O-NE1 2.84Å; T255-W258 HydrophobicContact CG2-CH2 3.82Å; T255-W258 HydrophobicContact CG2-CZ2 3.62Å; W258-P260 VanDerWaalsContact O-CD 3.29Å; W258-P260 WeakPolarHBondContact O-CD 3.12Å; W258-F266 HydrophobicContact CH2-CE1 4.15Å; W258-F266 HydrophobicContact CZ3-CE1 4.34Å
259L69.1Low65.7Low10 Ų1036.1 Ų36.15%0.05221%0.205CC..SBendtrans-96.4102171.4-164.858.1000108.1I219 T255 F266 Q267 Y270 F271I219-L259 HydrophobicContact CD1-CD1 3.73Å; T255-L259 HydrophobicContact CG2-CD2 4.43Å; T255-L259 WeakPolarHBondContact O-CB 3.43Å; T255-L259 PolarHBondContact O-N 3.1Å; T255-L259 VanDerWaalsContact O-N 3.1Å; L259-F266 HydrophobicContact CD1-CD1 4.28Å; L259-Q267 HydrophobicContact CD1-CB 3.92Å; L259-Q267 HydrophobicContact CD1-CG 4.42Å; L259-Q267 HydrophobicContact CD2-CB 4.1Å; L259-Q267 HydrophobicContact CD2-CG 4Å; L259-Q267 HydrophobicContact CG-CB 4.07Å; L259-Q267 HydrophobicContact CG-CG 4.03Å; L259-Y270 HydrophobicContact CD2-CD1 4.28Å; L259-F271 HydrophobicContact CD2-CD2 4.03Å; L259-F271 HydrophobicContact CD2-CE2 3.4Å; L259-F271 VanDerWaalsContact CD2-CE2 3.4Å; L259-F271 HydrophobicContact CD2-CZ 4.22Å; L259-F271 HydrophobicContact CG-CE2 4.22Å
260P60.6Low64.9Low72 Ų7236.3 Ų36.347%0.46821%0.205SC..  trans-60.8153.6-176.323.2-32.5000112W258 G262 Q267W258-P260 VanDerWaalsContact O-CD 3.29Å; W258-P260 WeakPolarHBondContact O-CD 3.12Å; P260-G262 PolarHBondContact O-N 3.02Å; P260-Q267 PolarHBondContact O-NE2 3.38Å; P260-Q267 PolarHBondContact O-OE1 3.38Å
261P57.4Low64Low133 Ų13340.7 Ų40.786%0.86422%0.224SC*.SBendtrans-70.1113.2168.927.7-31.4000109.9
262G58Low63.2Low47 Ų4743.6 Ų43.649%0.48524%0.237SC..SBendtrans166.4-170.5-175.300000111.2P260 P264 Q267P260-G262 PolarHBondContact O-N 3.02Å; G262-P264 WeakPolarHBondContact O-CD 3.34Å; G262-Q267 PolarHBondContact O-NE2 3.32Å; G262-Q267 PolarHBondContact O-OE1 2.94Å
263D56.3Low62.5Low130 Ų13042.8 Ų42.870%0.69524%0.235SC*.  trans-11969.3-179.4-150.418.9000114S268D263-S268 VanDerWaalsContact OD1-CB 3.28Å; D263-S268 WeakPolarHBondContact OD1-CB 3.3Å; D263-S268 PolarHBondContact OD1-OG 3.11Å
264P66.8Low61.9Low22 Ų2242.2 Ų42.214%0.14323%0.232CC..  trans-76.2146.4154.128.5-25.9000110.8I219 G262 F266 Q267 S268I219-P264 HydrophobicContact CG2-CB 3.84Å; I219-P264 HydrophobicContact CG2-CG 4.4Å; G262-P264 WeakPolarHBondContact O-CD 3.34Å; P264-F266 VanDerWaalsContact C-N 3.31Å; P264-F266 PolarHBondContact O-N 3.28Å; P264-Q267 HydrophobicContact CG-CB 3.68Å; P264-Q267 WeakPolarHBondContact O-CA 3.34Å; P264-Q267 VanDerWaalsContact O-CB 3.3Å; P264-Q267 WeakPolarHBondContact O-CB 3.38Å; P264-Q267 PolarHBondContact O-N 2.92Å; P264-S268 PolarHBondContact O-N 3.47Å; P264-S268 VanDerWaalsContact O-N 3.12Å
265F73.5Confident61.2Low11 Ų1142.4 Ų42.45%0.04823%0.232CC..Hα-helixtrans-49.9-48.2-177.4165.2-106.7000113.5E223 F239 F243 Q267 S268 W269 D322 L325E223-F265 WeakPolarHBondContact OE2-CB 3.17Å; E223-F265 PolarHBondContact OE2-N 3.08Å; F239-F265 HydrophobicContact CE2-CD1 4.44Å; F239-F265 HydrophobicContact CE2-CE1 4.32Å; F239-F265 HydrophobicContact CZ-CD1 4.4Å; F239-F265 AromaticContact CZ-CE1 3.85Å; F239-F265 HydrophobicContact CZ-CE1 3.85Å; F239-F265 HydrophobicContact CZ-CZ 4.5Å; F243-F265 HydrophobicContact CD2-CE1 4.2Å; F243-F265 HydrophobicContact CE2-CE1 4.1Å; F265-Q267 PolarHBondContact O-N 2.93Å; F265-S268 PolarHBondContact O-N 2.87Å; F265-W269 HydrophobicContact CE2-CB 4.18Å; F265-W269 HydrophobicContact CZ-CB 4.16Å; F265-W269 HydrophobicContact CZ-CG 4.22Å; F265-W269 VanDerWaalsContact O-CB 3.29Å; F265-W269 WeakPolarHBondContact O-CB 3.43Å; F265-W269 PolarHBondContact O-N 3.26Å; F265-D322 HydrophobicContact CD1-CB 4.41Å; F265-D322 HydrophobicContact CD2-CB 3.86Å; F265-D322 HydrophobicContact CE1-CB 4.05Å; F265-D322 HydrophobicContact CE2-CB 3.47Å; F265-D322 VanDerWaalsContact CE2-CB 3.47Å; F265-D322 HydrophobicContact CG-CB 4.33Å; F265-D322 HydrophobicContact CZ-CB 3.57Å; F265-L325 HydrophobicContact CE1-CD1 4.24Å; F265-L325 HydrophobicContact CZ-CD1 4.17Å
266F73.8Confident60.4Low2 Ų244.4 Ų44.41%0.00924%0.242CC..Hα-helixtrans-59.6-34.9-179.3-176.5-94.6000111.6F243 L246 H247 W258 L259 P264 W269 Y270F243-F266 HydrophobicContact CD2-CD2 4.08Å; F243-F266 HydrophobicContact CD2-CE2 4.49Å; F243-F266 HydrophobicContact CE2-CD2 4.06Å; F243-F266 HydrophobicContact CE2-CE2 4.35Å; L246-F266 VanDerWaalsContact C-CZ 3.49Å; L246-F266 HydrophobicContact CB-CD1 4.43Å; L246-F266 HydrophobicContact CB-CD2 3.83Å; L246-F266 HydrophobicContact CB-CE1 4.18Å; L246-F266 HydrophobicContact CB-CE2 3.54Å; L246-F266 HydrophobicContact CB-CG 4.27Å; L246-F266 HydrophobicContact CB-CZ 3.73Å; L246-F266 HydrophobicContact CD1-CB 4.38Å; L246-F266 HydrophobicContact CD1-CD2 4.16Å; L246-F266 HydrophobicContact CD1-CG 4.16Å; L246-F266 WeakPolarHBondContact O-CZ 3.44Å; H247-F266 HydrophobicContact CB-CE2 4.37Å; W258-F266 HydrophobicContact CH2-CE1 4.15Å; W258-F266 HydrophobicContact CZ3-CE1 4.34Å; L259-F266 HydrophobicContact CD1-CD1 4.28Å; P264-F266 VanDerWaalsContact C-N 3.31Å; P264-F266 PolarHBondContact O-N 3.28Å; F266-W269 HydrophobicContact CD2-CE3 4.45Å; F266-W269 HydrophobicContact CE2-CE3 4.36Å; F266-W269 HydrophobicContact CE2-CZ3 4.3Å; F266-Y270 HydrophobicContact CE1-CD2 4.08Å; F266-Y270 HydrophobicContact CE1-CG 4.07Å; F266-Y270 AromaticContact CZ-CD2 3.93Å; F266-Y270 HydrophobicContact CZ-CD2 3.93Å; F266-Y270 HydrophobicContact CZ-CG 4.34Å; F266-Y270 WeakPolarHBondContact O-CA 3.5Å; F266-Y270 WeakPolarHBondContact O-CB 3.47Å; F266-Y270 PolarHBondContact O-N 3.18Å
267Q65.8Low59.6Low23 Ų2339.3 Ų39.311%0.10722%0.22CC..Hα-helixtrans-68.8-51.4176.3-178.2167.1-1.600111.7L259 P260 G262 P264 F265 W269 Y270 F271L259-Q267 HydrophobicContact CD1-CB 3.92Å; L259-Q267 HydrophobicContact CD1-CG 4.42Å; L259-Q267 HydrophobicContact CD2-CB 4.1Å; L259-Q267 HydrophobicContact CD2-CG 4Å; L259-Q267 HydrophobicContact CG-CB 4.07Å; L259-Q267 HydrophobicContact CG-CG 4.03Å; P260-Q267 PolarHBondContact O-NE2 3.38Å; P260-Q267 PolarHBondContact O-OE1 3.38Å; G262-Q267 PolarHBondContact O-NE2 3.32Å; G262-Q267 PolarHBondContact O-OE1 2.94Å; P264-Q267 HydrophobicContact CG-CB 3.68Å; P264-Q267 WeakPolarHBondContact O-CA 3.34Å; P264-Q267 VanDerWaalsContact O-CB 3.3Å; P264-Q267 WeakPolarHBondContact O-CB 3.38Å; P264-Q267 PolarHBondContact O-N 2.92Å; F265-Q267 PolarHBondContact O-N 2.93Å; Q267-W269 VanDerWaalsContact C-N 3.25Å; Q267-W269 PolarHBondContact O-N 3.32Å; Q267-Y270 PolarHBondContact O-N 3.27Å; Q267-F271 HydrophobicContact CG-CD2 3.49Å; Q267-F271 VanDerWaalsContact CG-CD2 3.49Å; Q267-F271 HydrophobicContact CG-CE2 3.68Å; Q267-F271 WeakPolarHBondContact O-CB 3.34Å; Q267-F271 WeakPolarHBondContact O-CD2 3.27Å; Q267-F271 PolarHBondContact O-N 3.48Å
268S65.8Low58.9Low24 Ų2436.5 Ų36.517%0.16821%0.21CC..Hα-helixtrans-51.8-50.6174.7-149.20000109.5D263 P264 F265 K272D263-S268 VanDerWaalsContact OD1-CB 3.28Å; D263-S268 WeakPolarHBondContact OD1-CB 3.3Å; D263-S268 PolarHBondContact OD1-OG 3.11Å; P264-S268 PolarHBondContact O-N 3.47Å; P264-S268 VanDerWaalsContact O-N 3.12Å; F265-S268 PolarHBondContact O-N 2.87Å; S268-K272 WeakPolarHBondContact O-CB 3.23Å; S268-K272 WeakPolarHBondContact O-CD 3.36Å; S268-K272 WeakPolarHBondContact O-CG 3.14Å; S268-K272 PolarHBondContact O-N 2.93Å; S268-K272 VanDerWaalsContact OG-CE 3.3Å; S268-K272 WeakPolarHBondContact OG-CE 3.44Å; S268-K272 PolarHBondContact OG-NZ 2.89Å
269W66.7Low57.9Low8 Ų836.6 Ų36.63%0.0321%0.21CC..Hα-helixtrans-65.8-47.6-180-178.293000113F243 H247 F265 F266 Q267 K272 T273 A274 C373F243-W269 HydrophobicContact CE1-CH2 4.26Å; F243-W269 HydrophobicContact CE1-CZ2 4.45Å; F243-W269 AromaticContact CE2-CD2 3.95Å; F243-W269 HydrophobicContact CE2-CD2 3.95Å; F243-W269 AromaticContact CE2-CE3 3.83Å; F243-W269 HydrophobicContact CE2-CE3 3.83Å; F243-W269 HydrophobicContact CE2-CH2 4.33Å; F243-W269 HydrophobicContact CE2-CZ2 4.44Å; F243-W269 HydrophobicContact CE2-CZ3 4.03Å; F243-W269 AromaticContact CZ-CD2 3.92Å; F243-W269 HydrophobicContact CZ-CD2 3.92Å; F243-W269 AromaticContact CZ-CE2 3.76Å; F243-W269 AromaticContact CZ-CE3 3.83Å; F243-W269 HydrophobicContact CZ-CE3 3.83Å; F243-W269 AromaticContact CZ-CH2 3.49Å; F243-W269 HydrophobicContact CZ-CH2 3.49Å; F243-W269 VanDerWaalsContact CZ-CH2 3.49Å; F243-W269 AromaticContact CZ-CZ2 3.59Å; F243-W269 HydrophobicContact CZ-CZ2 3.59Å; F243-W269 AromaticContact CZ-CZ3 3.62Å; F243-W269 HydrophobicContact CZ-CZ3 3.62Å; H247-W269 AromaticContact CD2-CH2 3.56Å; H247-W269 AromaticContact CD2-CZ3 3.75Å; F265-W269 HydrophobicContact CE2-CB 4.18Å; F265-W269 HydrophobicContact CZ-CB 4.16Å; F265-W269 HydrophobicContact CZ-CG 4.22Å; F265-W269 VanDerWaalsContact O-CB 3.29Å; F265-W269 WeakPolarHBondContact O-CB 3.43Å; F265-W269 PolarHBondContact O-N 3.26Å; F266-W269 HydrophobicContact CD2-CE3 4.45Å; F266-W269 HydrophobicContact CE2-CE3 4.36Å; F266-W269 HydrophobicContact CE2-CZ3 4.3Å; Q267-W269 VanDerWaalsContact C-N 3.25Å; Q267-W269 PolarHBondContact O-N 3.32Å; W269-K272 CarbonylContact O-C 3.52Å; W269-K272 PolarHBondContact O-N 2.96Å; W269-T273 PolarHBondContact O-N 2.88Å; W269-T273 PolarHBondContact O-OG1 3.43Å; W269-A274 HydrophobicContact CZ3-CB 4.33Å; W269-C373 HydrophobicContact CZ2-CB 4.39Å; W269-C373 WeakPolarHBondContact CZ2-SG 3.5Å
270Y62.6Low56.7Low4 Ų438.4 Ų38.42%0.01622%0.22CC..Hα-helixtrans-67.9-45.2-176.2179.4-92000112.3S250 T255 L259 F266 Q267 K272 T273 A274 N275S250-Y270 WeakPolarHBondContact OG-CE2 3.23Å; T255-Y270 HydrophobicContact CG2-CD1 3.93Å; T255-Y270 HydrophobicContact CG2-CE1 3.27Å; T255-Y270 HydrophobicContact CG2-CE2 4.27Å; T255-Y270 VanDerWaalsContact CG2-CZ 3.49Å; L259-Y270 HydrophobicContact CD2-CD1 4.28Å; F266-Y270 HydrophobicContact CE1-CD2 4.08Å; F266-Y270 HydrophobicContact CE1-CG 4.07Å; F266-Y270 AromaticContact CZ-CD2 3.93Å; F266-Y270 HydrophobicContact CZ-CD2 3.93Å; F266-Y270 HydrophobicContact CZ-CG 4.34Å; F266-Y270 WeakPolarHBondContact O-CA 3.5Å; F266-Y270 WeakPolarHBondContact O-CB 3.47Å; F266-Y270 PolarHBondContact O-N 3.18Å; Q267-Y270 PolarHBondContact O-N 3.27Å; Y270-K272 VanDerWaalsContact C-N 3.35Å; Y270-T273 PolarHBondContact O-N 2.88Å; Y270-A274 HydrophobicContact CD2-CB 3.22Å; Y270-A274 HydrophobicContact CE2-CB 3.3Å; Y270-A274 HydrophobicContact CG-CB 3.94Å; Y270-A274 WeakPolarHBondContact O-CA 3.43Å; Y270-A274 PolarHBondContact O-N 3.33Å; Y270-N275 HydrophobicContact CD1-CB 4.05Å; Y270-N275 HydrophobicContact CE1-CB 3.43Å; Y270-N275 VanDerWaalsContact CE1-CB 3.43Å; Y270-N275 PolarHBondContact O-N 2.87Å; Y270-N275 PolarHBondContact OH-OD1 2.62Å
271F54Low55.9Low96 Ų9636.1 Ų36.142%0.42120%0.203SC..Hα-helixtrans-71.8-32.1174.6-77.3-79.3000111.7L259 Q267 T273 N275L259-F271 HydrophobicContact CD2-CD2 4.03Å; L259-F271 HydrophobicContact CD2-CE2 3.4Å; L259-F271 VanDerWaalsContact CD2-CE2 3.4Å; L259-F271 HydrophobicContact CD2-CZ 4.22Å; L259-F271 HydrophobicContact CG-CE2 4.22Å; Q267-F271 HydrophobicContact CG-CD2 3.49Å; Q267-F271 VanDerWaalsContact CG-CD2 3.49Å; Q267-F271 HydrophobicContact CG-CE2 3.68Å; Q267-F271 WeakPolarHBondContact O-CB 3.34Å; Q267-F271 WeakPolarHBondContact O-CD2 3.27Å; Q267-F271 PolarHBondContact O-N 3.48Å; F271-T273 PolarHBondContact O-N 3.34Å; F271-N275 HydrophobicContact CD1-CB 4.38Å; F271-N275 WeakPolarHBondContact CD1-ND2 3.29Å; F271-N275 WeakPolarHBondContact CE1-ND2 3.45Å
272K54.7Low55Low69 Ų6933 Ų3330%0.318%0.177SC..THydrogen-bonded Turntrans-72.1-4171.4-70.2170.1-176.3171.20113.8S268 W269 Y270 L290S268-K272 WeakPolarHBondContact O-CB 3.23Å; S268-K272 WeakPolarHBondContact O-CD 3.36Å; S268-K272 WeakPolarHBondContact O-CG 3.14Å; S268-K272 PolarHBondContact O-N 2.93Å; S268-K272 VanDerWaalsContact OG-CE 3.3Å; S268-K272 WeakPolarHBondContact OG-CE 3.44Å; S268-K272 PolarHBondContact OG-NZ 2.89Å; W269-K272 CarbonylContact O-C 3.52Å; W269-K272 PolarHBondContact O-N 2.96Å; Y270-K272 VanDerWaalsContact C-N 3.35Å; K272-L290 VanDerWaalsContact CA-CD2 3.42Å; K272-L290 HydrophobicContact CB-CD2 3.99Å; K272-L290 WeakPolarHBondContact O-CB 3.37Å; K272-L290 WeakPolarHBondContact O-CD1 2.96Å; K272-L290 WeakPolarHBondContact O-CD2 2.93Å; K272-L290 WeakPolarHBondContact O-CG 2.94Å
273T52Low54.4Low11 Ų1134.1 Ų34.17%0.06718%0.175CC..THydrogen-bonded Turntrans-155.3-34.2-176.557.30000117.3W269 Y270 F271 Q376 L380W269-T273 PolarHBondContact O-N 2.88Å; W269-T273 PolarHBondContact O-OG1 3.43Å; Y270-T273 PolarHBondContact O-N 2.88Å; F271-T273 PolarHBondContact O-N 3.34Å; T273-Q376 PolarHBondContact O-NE2 2.87Å; T273-Q376 PolarHBondContact OG1-NE2 3.37Å; T273-L380 HydrophobicContact CG2-CD1 4.2Å; T273-L380 VanDerWaalsContact O-CD1 3.22Å; T273-L380 WeakPolarHBondContact O-CD1 3.31Å; T273-L380 VanDerWaalsContact O-CD2 3.25Å; T273-L380 WeakPolarHBondContact O-CD2 3.48Å; T273-L380 WeakPolarHBondContact O-CG 3.22Å
274A48.6Very low53.9Low0 Ų038 Ų380%018%0.18CC..THydrogen-bonded Turntrans-105.1-35.3-161.600000113.7W269 Y270 Q276 L277 V278W269-A274 HydrophobicContact CZ3-CB 4.33Å; Y270-A274 HydrophobicContact CD2-CB 3.22Å; Y270-A274 HydrophobicContact CE2-CB 3.3Å; Y270-A274 HydrophobicContact CG-CB 3.94Å; Y270-A274 WeakPolarHBondContact O-CA 3.43Å; Y270-A274 PolarHBondContact O-N 3.33Å; A274-Q276 PolarHBondContact O-N 2.9Å; A274-Q276 VanDerWaalsContact O-N 3.16Å; A274-L277 PolarHBondContact O-N 2.98Å; A274-L277 VanDerWaalsContact O-N 3.12Å; A274-V278 PolarHBondContact O-N 3.22Å
275N46.8Very low52.9Low14 Ų1444.1 Ų44.18%0.07521%0.206CC..THydrogen-bonded Turntrans-60.3-32.7-170.8-150.6-5.7000112.8Y270 F271 R279Y270-N275 HydrophobicContact CD1-CB 4.05Å; Y270-N275 HydrophobicContact CE1-CB 3.43Å; Y270-N275 VanDerWaalsContact CE1-CB 3.43Å; Y270-N275 PolarHBondContact O-N 2.87Å; Y270-N275 PolarHBondContact OH-OD1 2.62Å; F271-N275 HydrophobicContact CD1-CB 4.38Å; F271-N275 WeakPolarHBondContact CD1-ND2 3.29Å; F271-N275 WeakPolarHBondContact CE1-ND2 3.45Å; N275-R279 WeakPolarHBondContact O-CD 3.28Å; N275-R279 WeakPolarHBondContact O-CG 3.31Å; N275-R279 PolarHBondContact OD1-NE 3.12Å; N275-R279 PolarHBondContact OD1-NH2 3.35Å
276Q47.3Very low51.7Low45 Ų4545.7 Ų45.721%0.2122%0.215CC..THydrogen-bonded Turntrans-79-30.7-178.9-69.2177.3-17.700113A274 N280 I281 D286A274-Q276 PolarHBondContact O-N 2.9Å; A274-Q276 VanDerWaalsContact O-N 3.16Å; Q276-N280 PolarHBondContact O-N 3.32Å; Q276-I281 PolarHBondContact O-N 3.22Å; Q276-D286 PolarHBondContact NE2-OD1 2.9Å; Q276-D286 VanDerWaalsContact OE1-CB 3.29Å
277L44Very low50.5Low1 Ų146.5 Ų46.51%0.00522%0.22CC..THydrogen-bonded Turntrans-76-48.3-178.6-110.2174.7000114.1A274 R279 N280 H282 Q376 A379 L380 F425A274-L277 PolarHBondContact O-N 2.98Å; A274-L277 VanDerWaalsContact O-N 3.12Å; L277-R279 PolarHBondContact O-N 3.45Å; L277-N280 PolarHBondContact O-N 3.21Å; L277-H282 WeakPolarHBondContact CD2-NE2 3.37Å; L277-H282 VanDerWaalsContact CG-CE1 3.48Å; L277-H282 WeakPolarHBondContact CG-CE1 3.47Å; L277-Q376 HydrophobicContact CD1-CB 4.14Å; L277-Q376 HydrophobicContact CD1-CG 3.35Å; L277-Q376 WeakPolarHBondContact CD1-O 3.38Å; L277-A379 HydrophobicContact CD1-CB 3.84Å; L277-A379 HydrophobicContact CD2-CB 3.27Å; L277-A379 HydrophobicContact CG-CB 4.17Å; L277-L380 HydrophobicContact CD1-CB 4.33Å; L277-L380 HydrophobicContact CD1-CD2 4.02Å; L277-L380 HydrophobicContact CD1-CG 3.57Å; L277-L380 HydrophobicContact CG-CD2 3.88Å; L277-L380 HydrophobicContact CG-CG 3.96Å; L277-F425 HydrophobicContact CB-CD1 3.97Å; L277-F425 HydrophobicContact CB-CE1 3.75Å; L277-F425 HydrophobicContact CD1-CD1 3.93Å; L277-F425 HydrophobicContact CD1-CE1 4.07Å; L277-F425 HydrophobicContact CD2-CD1 4.23Å; L277-F425 HydrophobicContact CG-CD1 4.3Å; L277-F425 HydrophobicContact CG-CE1 4.46Å
278V45.1Very low49.7Very low33 Ų3348.9 Ų48.920%0.223%0.234CC..THydrogen-bonded Turntrans-57.2-22.6177.4177.80000110.4Q251 A274 F425 L464Q251-V278 HydrophobicContact CG-CG2 4.23Å; A274-V278 PolarHBondContact O-N 3.22Å; V278-F425 HydrophobicContact CG2-CE1 3.71Å; V278-F425 HydrophobicContact CG2-CZ 4.17Å; V278-L464 VanDerWaalsContact O-CD1 3.31Å; V278-L464 WeakPolarHBondContact O-CD1 3.48Å
279R47.7Very low48.9Very low14 Ų1451.2 Ų51.25%0.05325%0.247CC..THydrogen-bonded Turntrans-101.20.8-176.9-64.9-176.4178168.54.3114.7N275 L277 I281 R490 V493 E496 L497N275-R279 WeakPolarHBondContact O-CD 3.28Å; N275-R279 WeakPolarHBondContact O-CG 3.31Å; N275-R279 PolarHBondContact OD1-NE 3.12Å; N275-R279 PolarHBondContact OD1-NH2 3.35Å; L277-R279 PolarHBondContact O-N 3.45Å; R279-I281 HydrophobicContact CB-CG1 4.46Å; R279-I281 WeakPolarHBondContact O-CG1 3.43Å; R279-R490 PolarHBondContact O-NH1 3.29Å; R279-V493 HydrophobicContact CB-CG1 3.61Å; R279-V493 HydrophobicContact CG-CG1 3.75Å; R279-V493 HydrophobicContact CG-CG2 4.39Å; R279-E496 VanDerWaalsContact CZ-CB 3.4Å; R279-E496 IonicContact CZ-OE2 3.99Å; R279-E496 IonicContact NE-OE2 3.58Å; R279-E496 PolarHBondContact NE-OE2 3.33Å; R279-E496 VanDerWaalsContact NH1-CB 3.26Å; R279-E496 PolarHBondContact NH1-O 3.43Å; R279-E496 IonicContact NH1-OE2 3.57Å; R279-E496 IonicContact NH2-OE1 3.74Å; R279-E496 IonicContact NH2-OE2 2.71Å; R279-E496 PolarHBondContact NH2-OE2 2.75Å; R279-L497 HydrophobicContact CB-CD1 3.68Å; R279-L497 HydrophobicContact CG-CD1 4.21Å
280N43Very low47.9Very low48 Ų4852 Ų5226%0.25725%0.251SS..THydrogen-bonded Turntrans54.948.1-176.5-75.1-21.1000113.8Q276 L277 S428 L464Q276-N280 PolarHBondContact O-N 3.32Å; L277-N280 PolarHBondContact O-N 3.21Å; N280-S428 WeakPolarHBondContact OD1-CB 3.02Å; N280-S428 PolarHBondContact OD1-OG 3.27Å; N280-L464 PolarHBondContact ND2-O 3.44Å
281I45.1Very low47.3Very low23 Ų2354.1 Ų54.112%0.11827%0.27CS..  trans-125.9105.6176.5-50.3-145.8000108.8Q276 R279 L497 Q499Q276-I281 PolarHBondContact O-N 3.22Å; R279-I281 HydrophobicContact CB-CG1 4.46Å; R279-I281 WeakPolarHBondContact O-CG1 3.43Å; I281-L497 HydrophobicContact CD1-CB 4.37Å; I281-L497 HydrophobicContact CD1-CD1 3.09Å; I281-L497 HydrophobicContact CD1-CG 4.19Å; I281-L497 HydrophobicContact CG1-CD1 3.64Å; I281-Q499 HydrophobicContact CD1-CG 4.47Å; I281-Q499 VanDerWaalsContact CD1-NE2 3.27Å
282H37.7Very low47.1Very low68 Ų6858.7 Ų58.732%0.31529%0.285SS..  trans-115.5124.3167-64-40.6000109.1L277 A379L277-H282 WeakPolarHBondContact CD2-NE2 3.37Å; L277-H282 VanDerWaalsContact CG-CE1 3.48Å; L277-H282 WeakPolarHBondContact CG-CE1 3.47Å; H282-A379 PolarHBondContact CD2-O 2.89Å; H282-A379 PolarHBondContact NE2-O 3.45Å; H282-A379 VanDerWaalsContact NE2-O 3.15Å
283T44.6Very low46.6Very low70 Ų7060 Ų6043%0.42930%0.295SS..  trans-106.6149.6149.774.40000108.1E285 D286T283-E285 PolarHBondContact O-N 3.33Å; T283-D286 PolarHBondContact N-OD2 2.89Å; T283-D286 PolarHBondContact O-N 3.35Å; T283-D286 PolarHBondContact OG1-OD2 3.46Å
284R45.9Very low46.8Very low212 Ų21261.2 Ų61.280%0.830%0.298SS*.Hα-helixtrans-62.7-27.3-179-171.5171.9178169-0.8112.6V287 D288R284-V287 PolarHBondContact O-N 3.42Å; R284-D288 PolarHBondContact O-N 3.26Å
285E47.1Very low47.3Very low151 Ų15170.5 Ų70.571%0.70634%0.341SS*.Hα-helixtrans-70.9-32.3-179-63.1-178.6170.500112.8T283 T289T283-E285 PolarHBondContact O-N 3.33Å; E285-T289 PolarHBondContact O-N 3.05Å; E285-T289 PolarHBondContact O-OG1 3.15Å
286D48.6Very low48.3Very low44 Ų4474.2 Ų74.224%0.23536%0.357CS..Hα-helixtrans-61-50.4174.5-68.6-57.3000110.1Q276 T283 D288 T289 L290Q276-D286 PolarHBondContact NE2-OD1 2.9Å; Q276-D286 VanDerWaalsContact OE1-CB 3.29Å; T283-D286 PolarHBondContact N-OD2 2.89Å; T283-D286 PolarHBondContact O-N 3.35Å; T283-D286 PolarHBondContact OG1-OD2 3.46Å; D286-D288 VanDerWaalsContact C-N 3.34Å; D286-D288 PolarHBondContact O-N 3.05Å; D286-T289 WeakPolarHBondContact O-CB 3.49Å; D286-T289 PolarHBondContact O-N 3.28Å; D286-T289 VanDerWaalsContact O-N 3.08Å; D286-L290 VanDerWaalsContact O-CG 3.24Å; D286-L290 WeakPolarHBondContact O-CG 2.83Å; D286-L290 PolarHBondContact O-N 3.43Å
287V47.6Very low49.5Very low19 Ų1975.5 Ų75.512%0.11537%0.365CS..Hα-helixtrans-56.4-46.3-178.1-176.60000111.9R284 T289 L290 A291 L380R284-V287 PolarHBondContact O-N 3.42Å; V287-T289 VanDerWaalsContact C-N 3.3Å; V287-T289 PolarHBondContact O-N 3.32Å; V287-L290 PolarHBondContact O-N 3.24Å; V287-A291 WeakPolarHBondContact O-CB 3.19Å; V287-A291 PolarHBondContact O-N 3.21Å; V287-L380 WeakPolarHBondContact CG2-O 3.38Å
288D48.8Very low51.1Low73 Ų7380 Ų8039%0.3939%0.389SS..Hα-helixtrans-66-32.5-179.7-74.9-11.7000112.5R284 D286 R292R284-D288 PolarHBondContact O-N 3.26Å; D286-D288 VanDerWaalsContact C-N 3.34Å; D286-D288 PolarHBondContact O-N 3.05Å; D288-R292 WeakPolarHBondContact O-CB 3.12Å; D288-R292 VanDerWaalsContact O-CG 3.23Å; D288-R292 WeakPolarHBondContact O-CG 3.27Å; D288-R292 PolarHBondContact O-N 2.89Å; D288-R292 PolarHBondContact O-NE 3.19Å; D288-R292 VanDerWaalsContact O-NE 3.17Å; D288-R292 IonicContact OD2-NH2 3.74Å
289T48.9Very low52.8Low73 Ų7384.8 Ų84.845%0.44841%0.411SS..Hα-helixtrans-72.2-40.6176.7-55.70000110.5E285 D286 V287 R292 L293E285-T289 PolarHBondContact O-N 3.05Å; E285-T289 PolarHBondContact O-OG1 3.15Å; D286-T289 WeakPolarHBondContact O-CB 3.49Å; D286-T289 PolarHBondContact O-N 3.28Å; D286-T289 VanDerWaalsContact O-N 3.08Å; V287-T289 VanDerWaalsContact C-N 3.3Å; V287-T289 PolarHBondContact O-N 3.32Å; T289-R292 PolarHBondContact O-N 2.85Å; T289-L293 HydrophobicContact CG2-CD1 3.82Å; T289-L293 HydrophobicContact CG2-CG 4.43Å; T289-L293 WeakPolarHBondContact O-CD1 3.29Å; T289-L293 VanDerWaalsContact O-CG 3.23Å; T289-L293 WeakPolarHBondContact O-CG 3.36Å; T289-L293 PolarHBondContact O-N 3.42Å
290L47Very low54.4Low23 Ų2386.4 Ų86.412%0.1242%0.419CS..Hα-helixtrans-67.9-35.7177.8-60.4176.2000112.6K272 D286 V287 L380K272-L290 VanDerWaalsContact CA-CD2 3.42Å; K272-L290 HydrophobicContact CB-CD2 3.99Å; K272-L290 WeakPolarHBondContact O-CB 3.37Å; K272-L290 WeakPolarHBondContact O-CD1 2.96Å; K272-L290 WeakPolarHBondContact O-CD2 2.93Å; K272-L290 WeakPolarHBondContact O-CG 2.94Å; D286-L290 VanDerWaalsContact O-CG 3.24Å; D286-L290 WeakPolarHBondContact O-CG 2.83Å; D286-L290 PolarHBondContact O-N 3.43Å; V287-L290 PolarHBondContact O-N 3.24Å; L290-L380 HydrophobicContact CD1-CD1 4.1Å; L290-L380 HydrophobicContact CD1-CD2 4.35Å
291A48.8Very low56.3Low50 Ų5084.1 Ų84.141%0.41341%0.407SS..Hα-helixtrans-66.9-36173.900000112.4V287V287-A291 WeakPolarHBondContact O-CB 3.19Å; V287-A291 PolarHBondContact O-N 3.21Å
292R49.1Very low58.2Low192 Ų19288 Ų8873%0.72543%0.425SS*.Hα-helixtrans-78.2-21.7-178.7-75.8-178.2-117.8-167-3.3114.9D288 T289D288-R292 WeakPolarHBondContact O-CB 3.12Å; D288-R292 VanDerWaalsContact O-CG 3.23Å; D288-R292 WeakPolarHBondContact O-CG 3.27Å; D288-R292 PolarHBondContact O-N 2.89Å; D288-R292 PolarHBondContact O-NE 3.19Å; D288-R292 VanDerWaalsContact O-NE 3.17Å; D288-R292 IonicContact OD2-NH2 3.74Å; T289-R292 PolarHBondContact O-N 2.85Å
293L44.8Very low60.6Low97 Ų9789.6 Ų89.651%0.50843%0.432SS..THydrogen-bonded Turntrans-90.58.2-172.7-73.9171.8000114.9T289T289-L293 HydrophobicContact CG2-CD1 3.82Å; T289-L293 HydrophobicContact CG2-CG 4.43Å; T289-L293 WeakPolarHBondContact O-CD1 3.29Å; T289-L293 VanDerWaalsContact O-CG 3.23Å; T289-L293 WeakPolarHBondContact O-CG 3.36Å; T289-L293 PolarHBondContact O-N 3.42Å
294R55.4Low62.6Low35 Ų3587 Ų8713%0.13242%0.418CS..  trans-108.6124.5179.7-67.7-172.4178.8-146-5.9110.7F296 L325 C326R294-F296 WeakPolarHBondContact O-CD1 3.21Å; R294-F296 PolarHBondContact O-N 3.07Å; R294-L325 PolarHBondContact NH1-O 3.17Å; R294-C326 PolarHBondContact NH1-O 3.32Å; R294-C326 VanDerWaalsContact NH1-O 3.16Å
295E59.3Low64.6Low195 Ų19577.4 Ų77.491%0.91138%0.382SS*.  trans-67.5112.7159.1-67.7179.9-179.800107.4
296F68.8Low66.6Low92 Ų9272.1 Ų72.140%0.40436%0.364SS..  trans-130.8150.516966.9-91.4000108.8R294 L298 V301 P330R294-F296 WeakPolarHBondContact O-CD1 3.21Å; R294-F296 PolarHBondContact O-N 3.07Å; F296-L298 HydrophobicContact CE2-CB 4.27Å; F296-L298 HydrophobicContact CE2-CD1 4.19Å; F296-V301 HydrophobicContact CB-CG2 4.46Å; F296-V301 HydrophobicContact CD2-CG2 4.08Å; F296-P330 HydrophobicContact CB-CG 3.87Å; F296-P330 HydrophobicContact CD1-CG 3.94Å; F296-P330 HydrophobicContact CD2-CB 4.24Å; F296-P330 HydrophobicContact CD2-CG 4.11Å; F296-P330 HydrophobicContact CG-CB 4.34Å; F296-P330 HydrophobicContact CG-CG 3.71Å
297D71.8Confident68.5Low72 Ų7272.7 Ų72.739%0.38536%0.363SS..  trans-95.1113.1171.3-171-27.3000108.2M299 E300 V301D297-M299 PolarHBondContact O-N 2.86Å; D297-M299 WeakPolarHBondContact OD1-CB 2.96Å; D297-M299 PolarHBondContact OD1-N 3.41Å; D297-E300 HydrophobicContact CB-CB 4.11Å; D297-E300 HydrophobicContact CB-CG 4.05Å; D297-E300 PolarHBondContact O-N 3.47Å; D297-V301 VanDerWaalsContact O-CG2 3.29Å; D297-V301 WeakPolarHBondContact O-CG2 3.35Å; D297-V301 PolarHBondContact O-N 3.13Å
298L78.6Confident70.6Confident96 Ų9671.9 Ų71.950%0.50336%0.358SS..Hα-helixtrans-57.6-36.9179.8-176.865.8000111.8F296 V301 E302F296-L298 HydrophobicContact CE2-CB 4.27Å; F296-L298 HydrophobicContact CE2-CD1 4.19Å; L298-V301 PolarHBondContact O-N 3.47Å; L298-E302 HydrophobicContact CD1-CG 4.47Å; L298-E302 WeakPolarHBondContact O-CB 3.42Å; L298-E302 WeakPolarHBondContact O-CG 3.29Å; L298-E302 PolarHBondContact O-N 3.16Å
299M80.3Confident72.6Confident134 Ų13471.4 Ų71.466%0.6635%0.351SS*.Hα-helixtrans-66.2-44-180-68.9-64.9-55.600111.3D297 E302 E303D297-M299 PolarHBondContact O-N 2.86Å; D297-M299 WeakPolarHBondContact OD1-CB 2.96Å; D297-M299 PolarHBondContact OD1-N 3.41Å; M299-E302 PolarHBondContact O-N 3.27Å; M299-E303 PolarHBondContact O-N 2.93Å
300E80.6Confident74.5Confident47 Ų4777 Ų7722%0.2236%0.363CS..Hα-helixtrans-70-35.4178.7-65.1-166.4-169.700111.9D297 E303 A304 F323D297-E300 HydrophobicContact CB-CB 4.11Å; D297-E300 HydrophobicContact CB-CG 4.05Å; D297-E300 PolarHBondContact O-N 3.47Å; E300-E303 PolarHBondContact O-N 3.47Å; E300-A304 WeakPolarHBondContact O-CB 3.25Å; E300-A304 PolarHBondContact O-N 2.88Å; E300-F323 WeakPolarHBondContact OE2-CE1 3.34Å; E300-F323 WeakPolarHBondContact OE2-CZ 3.29Å
301V83.7Confident76.3Confident1 Ų177.4 Ų77.41%0.00637%0.373CS..Hα-helixtrans-61.3-48.9173.51710000110.8F296 D297 L298 A304 F305 P330 I331F296-V301 HydrophobicContact CB-CG2 4.46Å; F296-V301 HydrophobicContact CD2-CG2 4.08Å; D297-V301 VanDerWaalsContact O-CG2 3.29Å; D297-V301 WeakPolarHBondContact O-CG2 3.35Å; D297-V301 PolarHBondContact O-N 3.13Å; L298-V301 PolarHBondContact O-N 3.47Å; V301-A304 PolarHBondContact O-N 3.29Å; V301-F305 VanDerWaalsContact O-CB 3.22Å; V301-F305 WeakPolarHBondContact O-CB 3.36Å; V301-F305 PolarHBondContact O-N 3.26Å; V301-P330 HydrophobicContact CB-CB 4.32Å; V301-P330 HydrophobicContact CG1-CB 3.71Å; V301-P330 HydrophobicContact CG2-CB 3.61Å; V301-P330 HydrophobicContact CG2-CG 4.25Å; V301-I331 HydrophobicContact CG1-CG1 4.14Å
302E85.8Confident78.1Confident105 Ų10579.6 Ų79.649%0.49138%0.375SS..Hα-helixtrans-63.8-41.4179.7-74.4-176.6174.900111.7L298 M299 A306L298-E302 HydrophobicContact CD1-CG 4.47Å; L298-E302 WeakPolarHBondContact O-CB 3.42Å; L298-E302 WeakPolarHBondContact O-CG 3.29Å; L298-E302 PolarHBondContact O-N 3.16Å; M299-E302 PolarHBondContact O-N 3.27Å; E302-A306 VanDerWaalsContact O-CB 3.25Å; E302-A306 WeakPolarHBondContact O-CB 3.27Å; E302-A306 PolarHBondContact O-N 3.45Å
303E87Confident79.6Confident100 Ų10071.8 Ų71.847%0.46735%0.349SS..Hα-helixtrans-64.5-49.7175.6-166.3-163.4143.400111.4M299 E300 F305 A306 R307M299-E303 PolarHBondContact O-N 2.93Å; E300-E303 PolarHBondContact O-N 3.47Å; E303-F305 VanDerWaalsContact C-N 3.3Å; E303-F305 PolarHBondContact O-N 3.46Å; E303-A306 PolarHBondContact O-N 3.27Å; E303-R307 WeakPolarHBondContact O-CB 3.44Å; E303-R307 WeakPolarHBondContact O-CD 3.24Å; E303-R307 VanDerWaalsContact O-CG 3.22Å; E303-R307 WeakPolarHBondContact O-CG 3.49Å; E303-R307 PolarHBondContact O-N 2.78Å; E303-R307 IonicContact OE1-NH1 2.64Å; E303-R307 PolarHBondContact OE1-NH1 3.28Å; E303-R307 VanDerWaalsContact OE1-NH1 3.14Å
304A86.2Confident81.2Confident17 Ų1768.5 Ų68.514%0.1434%0.338CS..Hα-helixtrans-58.1-45.5178.800000110.6E300 V301 R307 L308 I331E300-A304 WeakPolarHBondContact O-CB 3.25Å; E300-A304 PolarHBondContact O-N 2.88Å; V301-A304 PolarHBondContact O-N 3.29Å; A304-R307 PolarHBondContact O-N 3.41Å; A304-L308 WeakPolarHBondContact O-CB 3.47Å; A304-L308 VanDerWaalsContact O-CG 3.22Å; A304-L308 WeakPolarHBondContact O-CG 3.29Å; A304-L308 PolarHBondContact O-N 2.97Å; A304-I331 HydrophobicContact CB-CD1 4.36Å
305F89.4Confident82.2Confident9 Ų967.9 Ų67.94%0.03934%0.336CS..Hα-helixtrans-65.3-43.4177.7-178.1-127.6000112.7V301 E303 R307 L308 R309 I331 C334 I335 Q338 I344 V352V301-F305 VanDerWaalsContact O-CB 3.22Å; V301-F305 WeakPolarHBondContact O-CB 3.36Å; V301-F305 PolarHBondContact O-N 3.26Å; E303-F305 VanDerWaalsContact C-N 3.3Å; E303-F305 PolarHBondContact O-N 3.46Å; F305-R307 VanDerWaalsContact C-N 3.26Å; F305-R307 PolarHBondContact O-N 3.5Å; F305-L308 PolarHBondContact O-N 2.89Å; F305-R309 HydrophobicContact CD2-CG 4.45Å; F305-R309 HydrophobicContact CE2-CG 4.13Å; F305-R309 HydrophobicContact CZ-CG 4.22Å; F305-R309 WeakPolarHBondContact O-CG 3.42Å; F305-R309 PolarHBondContact O-N 2.99Å; F305-I331 HydrophobicContact CD2-CG2 4.04Å; F305-C334 HydrophobicContact CD1-CB 3.61Å; F305-C334 HydrophobicContact CE1-CB 3.6Å; F305-C334 HydrophobicContact CG-CB 4.08Å; F305-C334 HydrophobicContact CZ-CB 4.13Å; F305-I335 HydrophobicContact CD2-CG1 4.4Å; F305-I335 HydrophobicContact CE2-CG1 3.58Å; F305-I335 HydrophobicContact CZ-CG1 4.11Å; F305-Q338 HydrophobicContact CE1-CG 4.17Å; F305-Q338 VanDerWaalsContact CE1-NE2 3.29Å; F305-Q338 HydrophobicContact CZ-CG 4.41Å; F305-Q338 VanDerWaalsContact CZ-OE1 3.31Å; F305-I344 HydrophobicContact CZ-CD1 4.2Å; F305-V352 HydrophobicContact CD2-CG2 4.37Å; F305-V352 HydrophobicContact CE2-CG2 3.98Å
306A89Confident82.7Confident40 Ų4062.5 Ų62.533%0.33132%0.316SS..Hα-helixtrans-60.5-36.2175.300000112.3E302 E303 R310E302-A306 VanDerWaalsContact O-CB 3.25Å; E302-A306 WeakPolarHBondContact O-CB 3.27Å; E302-A306 PolarHBondContact O-N 3.45Å; E303-A306 PolarHBondContact O-N 3.27Å; A306-R310 WeakPolarHBondContact O-CG 3.37Å; A306-R310 PolarHBondContact O-N 3.39Å
307R88.6Confident82.6Confident56 Ų5664.6 Ų64.621%0.21133%0.329CS..Hα-helixtrans-70.4-44175.8-70.8166.465.1134.35.3112.3E303 A304 F305 R309 R310 G311 H312 G314 V316E303-R307 WeakPolarHBondContact O-CB 3.44Å; E303-R307 WeakPolarHBondContact O-CD 3.24Å; E303-R307 VanDerWaalsContact O-CG 3.22Å; E303-R307 WeakPolarHBondContact O-CG 3.49Å; E303-R307 PolarHBondContact O-N 2.78Å; E303-R307 IonicContact OE1-NH1 2.64Å; E303-R307 PolarHBondContact OE1-NH1 3.28Å; E303-R307 VanDerWaalsContact OE1-NH1 3.14Å; A304-R307 PolarHBondContact O-N 3.41Å; F305-R307 VanDerWaalsContact C-N 3.26Å; F305-R307 PolarHBondContact O-N 3.5Å; R307-R309 VanDerWaalsContact C-N 3.32Å; R307-R309 PolarHBondContact O-N 2.93Å; R307-R310 PolarHBondContact O-N 2.95Å; R307-R310 VanDerWaalsContact O-N 3.1Å; R307-G311 PolarHBondContact O-N 3.46Å; R307-H312 HydrophobicContact CB-CB 4.16Å; R307-H312 WeakPolarHBondContact O-CB 3.34Å; R307-H312 PolarHBondContact O-N 2.61Å; R307-H312 VanDerWaalsContact O-N 3.09Å; R307-H312 PolarHBondContact O-ND1 3.34Å; R307-G314 PolarHBondContact NH2-O 2.77Å; R307-V316 VanDerWaalsContact NH1-CG2 3.31Å
308L90.9Very high82.5Confident2 Ų261.9 Ų61.91%0.0132%0.315CS..Hα-helixtrans-59.6-41.5176.6-75170.6000111.4A304 F305 R310 G311 W315 I331 H351 V352 L356A304-L308 WeakPolarHBondContact O-CB 3.47Å; A304-L308 VanDerWaalsContact O-CG 3.22Å; A304-L308 WeakPolarHBondContact O-CG 3.29Å; A304-L308 PolarHBondContact O-N 2.97Å; F305-L308 PolarHBondContact O-N 2.89Å; L308-R310 PolarHBondContact O-N 2.87Å; L308-G311 PolarHBondContact O-N 2.7Å; L308-W315 HydrophobicContact CD1-CZ2 4.48Å; L308-I331 HydrophobicContact CD1-CD1 4.13Å; L308-I331 HydrophobicContact CD1-CG2 4.31Å; L308-H351 CarbonylContact O-C 3.44Å; L308-H351 WeakPolarHBondContact O-CB 3.38Å; L308-V352 HydrophobicContact CB-CB 4.38Å; L308-V352 HydrophobicContact CB-CG1 4.38Å; L308-V352 HydrophobicContact CB-CG2 3.98Å; L308-V352 HydrophobicContact CD1-CG1 4.49Å; L308-L356 HydrophobicContact CD1-CD2 4.01Å; L308-L356 HydrophobicContact CD1-CG 4.33Å
309R90.1Very high82.2Confident63 Ų6366.8 Ų66.824%0.23833%0.327CS..Hα-helixtrans-58.3-33.9174.3-74.9179.564174.414.4113.4F305 R307 G311 Q338 E348 H351 V352F305-R309 HydrophobicContact CD2-CG 4.45Å; F305-R309 HydrophobicContact CE2-CG 4.13Å; F305-R309 HydrophobicContact CZ-CG 4.22Å; F305-R309 WeakPolarHBondContact O-CG 3.42Å; F305-R309 PolarHBondContact O-N 2.99Å; R307-R309 VanDerWaalsContact C-N 3.32Å; R307-R309 PolarHBondContact O-N 2.93Å; R309-G311 VanDerWaalsContact C-N 3.26Å; R309-G311 PolarHBondContact O-N 2.84Å; R309-Q338 VanDerWaalsContact NH1-NE2 3.1Å; R309-E348 IonicContact CZ-OE1 3.89Å; R309-E348 IonicContact NE-OE1 2.74Å; R309-E348 PolarHBondContact NE-OE1 3.42Å; R309-E348 IonicContact NH2-OE1 2.78Å; R309-E348 PolarHBondContact NH2-OE1 3.4Å; R309-E348 IonicContact NH2-OE2 3.25Å; R309-H351 PolarHBondContact O-ND1 2.96Å; R309-V352 HydrophobicContact CG-CG2 3.97Å
310R88.9Confident82.1Confident190 Ų19062.5 Ų62.572%0.71731%0.308SS*.THydrogen-bonded Turntrans-82.22.6176.7-64.5176.2-172.4168.83.7113.4A306 R307 L308A306-R310 WeakPolarHBondContact O-CG 3.37Å; A306-R310 PolarHBondContact O-N 3.39Å; R307-R310 PolarHBondContact O-N 2.95Å; R307-R310 VanDerWaalsContact O-N 3.1Å; L308-R310 PolarHBondContact O-N 2.87Å
311G84.8Confident81.9Confident32 Ų3260.8 Ų60.833%0.3330%0.3SS..THydrogen-bonded Turntrans83.111.6-179.700000115R307 L308 R309 T313R307-G311 PolarHBondContact O-N 3.46Å; L308-G311 PolarHBondContact O-N 2.7Å; R309-G311 VanDerWaalsContact C-N 3.26Å; R309-G311 PolarHBondContact O-N 2.84Å; G311-T313 PolarHBondContact O-N 3.12Å
312H86.1Confident81.7Confident96 Ų9661.4 Ų61.444%0.44430%0.303SS..  trans-76.4127.5175.7-62100.4000110.7R307R307-H312 HydrophobicContact CB-CB 4.16Å; R307-H312 WeakPolarHBondContact O-CB 3.34Å; R307-H312 PolarHBondContact O-N 2.61Å; R307-H312 VanDerWaalsContact O-N 3.09Å; R307-H312 PolarHBondContact O-ND1 3.34Å
313T81.6Confident81.5Confident29 Ų2958.8 Ų58.818%0.17829%0.29CS..  trans-96.8-6.9174.879.20000113G311 R358 K360G311-T313 PolarHBondContact O-N 3.12Å; T313-R358 VanDerWaalsContact CB-O 3.22Å; T313-R358 WeakPolarHBondContact CB-O 3.44Å; T313-R358 HydrophobicContact CG2-CB 4.25Å; T313-R358 PolarHBondContact OG1-O 3.36Å; T313-K360 PolarHBondContact O-N 3.21Å; T313-K360 WeakPolarHBondContact OG1-CD 3.15Å; T313-K360 WeakPolarHBondContact OG1-CG 3.38Å
314G78.1Confident81.2Confident28 Ų2854 Ų5429%0.28927%0.268SS..EExtended strand (participates in β ladder)trans-84122.8-178.800000111.8R307 K360R307-G314 PolarHBondContact NH2-O 2.77Å; G314-K360 WeakPolarHBondContact CA-O 3.33Å
315W76.4Confident81Confident22 Ų2253.2 Ų53.28%0.08326%0.261CS..EExtended strand (participates in β ladder)trans-94.4135.4172.7-71.754.1000109.4L308 V318 V324 Q327 I331 L356 V359 K360L308-W315 HydrophobicContact CD1-CZ2 4.48Å; W315-V318 HydrophobicContact CB-CG2 3.69Å; W315-V318 HydrophobicContact CE3-CG2 4.33Å; W315-V324 HydrophobicContact CD2-CG1 4.09Å; W315-V324 HydrophobicContact CE3-CB 4.34Å; W315-V324 HydrophobicContact CE3-CG1 3.92Å; W315-V324 HydrophobicContact CE3-CG2 4Å; W315-V324 HydrophobicContact CH2-CG1 3.82Å; W315-V324 HydrophobicContact CZ2-CG1 4Å; W315-V324 HydrophobicContact CZ3-CB 4.24Å; W315-V324 HydrophobicContact CZ3-CG1 3.79Å; W315-V324 HydrophobicContact CZ3-CG2 4.36Å; W315-Q327 HydrophobicContact CH2-CB 4.08Å; W315-Q327 HydrophobicContact CZ3-CB 3.93Å; W315-Q327 HydrophobicContact CZ3-CG 4.15Å; W315-I331 HydrophobicContact CH2-CD1 3.69Å; W315-I331 HydrophobicContact CZ2-CD1 4.19Å; W315-L356 HydrophobicContact CZ2-CD2 3.88Å; W315-V359 HydrophobicContact CD2-CG1 4.49Å; W315-V359 HydrophobicContact CG-CG1 4.02Å; W315-K360 PolarHBondContact N-O 3.22Å
316V70.2Confident80.6Confident82 Ų8254.2 Ų54.250%0.49727%0.269SS..  trans-118.4152.3-179.5171.30000107.6R307 V318R307-V316 VanDerWaalsContact NH1-CG2 3.31Å; V316-V318 PolarHBondContact O-N 3.12Å
317M65.6Low80.2Confident135 Ų13552.4 Ų52.467%0.66525%0.254SS*.SBendtrans67.212.7-178.7-57.9-102.9175.800116R319M317-R319 PolarHBondContact O-N 3.03Å
318V69.7Low80.1Confident16 Ų1649.8 Ų49.810%0.09724%0.244CC..  trans-62.8135.6171.7-174.60000109L230 W315 V316 T320 F323 V324 V361L230-V318 VanDerWaalsContact CD1-C 3.49Å; L230-V318 HydrophobicContact CD1-CB 3.75Å; L230-V318 HydrophobicContact CD1-CG1 3.9Å; L230-V318 WeakPolarHBondContact CD1-O 3.39Å; L230-V318 HydrophobicContact CD2-CG1 4.26Å; W315-V318 HydrophobicContact CB-CG2 3.69Å; W315-V318 HydrophobicContact CE3-CG2 4.33Å; V316-V318 PolarHBondContact O-N 3.12Å; V318-T320 WeakPolarHBondContact CG1-O 3.48Å; V318-F323 HydrophobicContact CG1-CD1 4.35Å; V318-V324 HydrophobicContact CB-CG2 4.41Å; V318-V324 HydrophobicContact CG1-CG2 3.59Å; V318-V324 HydrophobicContact CG2-CG2 3.83Å; V318-V361 HydrophobicContact CG2-CG2 4.49Å
319R73.3Confident79.7Confident198 Ų19850.6 Ų50.675%0.74725%0.251SS*.  trans-102.8-39.5175.8-62.5-175.5-173.6-178.43.7112.4M317M317-R319 PolarHBondContact O-N 3.03Å
320T78.2Confident79.4Confident44 Ų4448.2 Ų48.227%0.2724%0.244SC..SBendtrans-140.2160-177.856.30000109.9V318 D322 F323V318-T320 WeakPolarHBondContact CG1-O 3.48Å; T320-D322 WeakPolarHBondContact CB-OD1 3.48Å; T320-D322 PolarHBondContact O-N 3.13Å; T320-D322 PolarHBondContact OG1-OD1 3.16Å; T320-F323 VanDerWaalsContact O-CB 3.24Å; T320-F323 WeakPolarHBondContact O-CB 3.31Å; T320-F323 PolarHBondContact O-N 3.24Å
321W77.1Confident79.4Confident11 Ų1139.2 Ų39.24%0.04221%0.21CC..Hα-helixtrans-69.6-32.2-176.9-61.4102.5000113.3L230 G236 F239 F323 V324 V361 C366 M367L230-W321 HydrophobicContact CD2-CD2 3.71Å; L230-W321 VanDerWaalsContact CD2-CE2 3.46Å; L230-W321 HydrophobicContact CD2-CE3 3.96Å; L230-W321 HydrophobicContact CD2-CG 4.33Å; L230-W321 HydrophobicContact CD2-CH2 3.83Å; L230-W321 HydrophobicContact CD2-CZ2 3.56Å; L230-W321 HydrophobicContact CD2-CZ3 3.99Å; G236-W321 VanDerWaalsContact CA-CD2 3.41Å; G236-W321 VanDerWaalsContact CA-CZ2 3.4Å; G236-W321 VanDerWaalsContact N-CE2 3.3Å; G236-W321 VanDerWaalsContact N-CZ2 3.31Å; F239-W321 HydrophobicContact CB-CB 4.19Å; F239-W321 HydrophobicContact CB-CG 4.33Å; F239-W321 HydrophobicContact CD1-CB 3.45Å; F239-W321 VanDerWaalsContact CD1-CB 3.45Å; F239-W321 HydrophobicContact CD1-CG 4.36Å; F239-W321 HydrophobicContact CD2-CB 4.18Å; F239-W321 HydrophobicContact CE1-CB 3.76Å; F239-W321 HydrophobicContact CE2-CB 4.47Å; F239-W321 HydrophobicContact CG-CB 3.66Å; F239-W321 HydrophobicContact CG-CG 4.32Å; F239-W321 HydrophobicContact CZ-CB 4.27Å; W321-F323 VanDerWaalsContact C-N 3.28Å; W321-F323 PolarHBondContact O-N 2.79Å; W321-V324 PolarHBondContact O-N 2.92Å; W321-V361 HydrophobicContact CE3-CG2 4.44Å; W321-V361 HydrophobicContact CH2-CB 3.88Å; W321-V361 HydrophobicContact CH2-CG1 4.08Å; W321-V361 HydrophobicContact CH2-CG2 4.33Å; W321-V361 HydrophobicContact CZ3-CB 3.69Å; W321-V361 HydrophobicContact CZ3-CG1 4.11Å; W321-V361 HydrophobicContact CZ3-CG2 3.61Å; W321-C366 HydrophobicContact CH2-CB 4.1Å; W321-C366 HydrophobicContact CZ3-CB 3.95Å; W321-C366 WeakPolarHBondContact CZ3-SG 3.47Å; W321-M367 HydrophobicContact CE3-CE 3.68Å; W321-M367 HydrophobicContact CE3-SD 3.86Å; W321-M367 HydrophobicContact CZ3-CE 4.05Å
322D79.2Confident79.6Confident15 Ų1537.7 Ų37.78%0.0819%0.194CC..Hα-helixtrans-66.8-29174.961.6-39.5000113.1R226 F239 F265 T320 V324 L325 C326R226-D322 HydrophobicContact CG-CB 3.94Å; R226-D322 IonicContact CZ-OD2 2.82Å; R226-D322 IonicContact NE-OD1 3.65Å; R226-D322 IonicContact NE-OD2 3.14Å; R226-D322 PolarHBondContact NE-OD2 3.49Å; R226-D322 IonicContact NH2-OD2 3.92Å; R226-D322 PolarHBondContact NH2-OD2 2.9Å; R226-D322 VanDerWaalsContact NH2-OD2 3.1Å; F239-D322 HydrophobicContact CZ-CB 4.1Å; F265-D322 HydrophobicContact CD1-CB 4.41Å; F265-D322 HydrophobicContact CD2-CB 3.86Å; F265-D322 HydrophobicContact CE1-CB 4.05Å; F265-D322 HydrophobicContact CE2-CB 3.47Å; F265-D322 VanDerWaalsContact CE2-CB 3.47Å; F265-D322 HydrophobicContact CG-CB 4.33Å; F265-D322 HydrophobicContact CZ-CB 3.57Å; T320-D322 WeakPolarHBondContact CB-OD1 3.48Å; T320-D322 PolarHBondContact O-N 3.13Å; T320-D322 PolarHBondContact OG1-OD1 3.16Å; D322-V324 PolarHBondContact O-N 3.16Å; D322-L325 PolarHBondContact O-N 3.31Å; D322-C326 PolarHBondContact O-N 3.13Å; D322-C326 PolarHBondContact O-SG 3.28Å
323F80.2Confident79.6Confident49 Ų4935.9 Ų35.922%0.21519%0.186CC..Hα-helixtrans-53.3-43.9176.1-177.2-99.6000111.7E300 V318 T320 W321 L325 C326 Q327E300-F323 WeakPolarHBondContact OE2-CE1 3.34Å; E300-F323 WeakPolarHBondContact OE2-CZ 3.29Å; V318-F323 HydrophobicContact CG1-CD1 4.35Å; T320-F323 VanDerWaalsContact O-CB 3.24Å; T320-F323 WeakPolarHBondContact O-CB 3.31Å; T320-F323 PolarHBondContact O-N 3.24Å; W321-F323 VanDerWaalsContact C-N 3.28Å; W321-F323 PolarHBondContact O-N 2.79Å; F323-L325 VanDerWaalsContact C-N 3.29Å; F323-L325 PolarHBondContact O-N 2.83Å; F323-C326 WeakPolarHBondContact O-CB 3.45Å; F323-C326 PolarHBondContact O-N 3.25Å; F323-C326 VanDerWaalsContact O-N 3.12Å; F323-Q327 HydrophobicContact CD1-CG 4.28Å; F323-Q327 HydrophobicContact CE1-CG 3.89Å; F323-Q327 HydrophobicContact CZ-CG 4.1Å; F323-Q327 WeakPolarHBondContact O-CG 3.04Å; F323-Q327 PolarHBondContact O-N 2.82Å
324V81.3Confident79.9Confident0 Ų035.8 Ų35.80%019%0.186CC..Hα-helixtrans-59.7-41.3178.6178.80000111.4W315 V318 W321 D322 C326 Q327 V328 V359 M367 P370W315-V324 HydrophobicContact CD2-CG1 4.09Å; W315-V324 HydrophobicContact CE3-CB 4.34Å; W315-V324 HydrophobicContact CE3-CG1 3.92Å; W315-V324 HydrophobicContact CE3-CG2 4Å; W315-V324 HydrophobicContact CH2-CG1 3.82Å; W315-V324 HydrophobicContact CZ2-CG1 4Å; W315-V324 HydrophobicContact CZ3-CB 4.24Å; W315-V324 HydrophobicContact CZ3-CG1 3.79Å; W315-V324 HydrophobicContact CZ3-CG2 4.36Å; V318-V324 HydrophobicContact CB-CG2 4.41Å; V318-V324 HydrophobicContact CG1-CG2 3.59Å; V318-V324 HydrophobicContact CG2-CG2 3.83Å; W321-V324 PolarHBondContact O-N 2.92Å; D322-V324 PolarHBondContact O-N 3.16Å; V324-C326 VanDerWaalsContact C-N 3.34Å; V324-Q327 PolarHBondContact O-N 3.16Å; V324-V328 WeakPolarHBondContact O-CG2 3.46Å; V324-V359 HydrophobicContact CG1-CG1 4.26Å; V324-M367 HydrophobicContact CB-CE 3.74Å; V324-M367 HydrophobicContact CG1-CE 3.72Å; V324-M367 HydrophobicContact CG2-CE 3.69Å; V324-P370 HydrophobicContact CG1-CG 3.85Å
325L83.1Confident80.6Confident0 Ų034.5 Ų34.50%017%0.172CC..Hα-helixtrans-71.1-30.3178.6-56.5-175.7000112.5F239 F243 F265 R294 D322 F323 S369 P370F239-L325 HydrophobicContact CE1-CD1 3.64Å; F239-L325 HydrophobicContact CE1-CG 4.23Å; F239-L325 HydrophobicContact CZ-CD1 3.88Å; F243-L325 HydrophobicContact CD1-CD1 4.18Å; F243-L325 HydrophobicContact CD2-CD1 3.87Å; F243-L325 HydrophobicContact CE1-CD1 4.01Å; F243-L325 HydrophobicContact CE2-CD1 3.68Å; F243-L325 HydrophobicContact CG-CD1 4.1Å; F243-L325 HydrophobicContact CZ-CD1 3.75Å; F265-L325 HydrophobicContact CE1-CD1 4.24Å; F265-L325 HydrophobicContact CZ-CD1 4.17Å; R294-L325 PolarHBondContact NH1-O 3.17Å; D322-L325 PolarHBondContact O-N 3.31Å; F323-L325 VanDerWaalsContact C-N 3.29Å; F323-L325 PolarHBondContact O-N 2.83Å; L325-S369 WeakPolarHBondContact CD2-OG 3.45Å; L325-P370 HydrophobicContact CD2-CG 3.92Å
326C79.9Confident81.2Confident31 Ų3133.4 Ų33.421%0.20917%0.168CC..Hα-helixtrans-66.4-37176.3-72.80000112.3R294 D322 F323 V324 V328 P330R294-C326 PolarHBondContact NH1-O 3.32Å; R294-C326 VanDerWaalsContact NH1-O 3.16Å; D322-C326 PolarHBondContact O-N 3.13Å; D322-C326 PolarHBondContact O-SG 3.28Å; F323-C326 WeakPolarHBondContact O-CB 3.45Å; F323-C326 PolarHBondContact O-N 3.25Å; F323-C326 VanDerWaalsContact O-N 3.12Å; V324-C326 VanDerWaalsContact C-N 3.34Å; C326-V328 VanDerWaalsContact C-N 3.3Å; C326-V328 PolarHBondContact O-N 3.46Å; C326-P330 WeakPolarHBondContact O-CD 3.47Å
327Q81.2Confident82.1Confident2 Ų232.6 Ų32.61%0.00916%0.161CC..Hα-helixtrans-72.4-16.3-179.2-59.1-49.8-23.500114.8W315 F323 V324 A329 P330 I331W315-Q327 HydrophobicContact CH2-CB 4.08Å; W315-Q327 HydrophobicContact CZ3-CB 3.93Å; W315-Q327 HydrophobicContact CZ3-CG 4.15Å; F323-Q327 HydrophobicContact CD1-CG 4.28Å; F323-Q327 HydrophobicContact CE1-CG 3.89Å; F323-Q327 HydrophobicContact CZ-CG 4.1Å; F323-Q327 WeakPolarHBondContact O-CG 3.04Å; F323-Q327 PolarHBondContact O-N 2.82Å; V324-Q327 PolarHBondContact O-N 3.16Å; Q327-A329 PolarHBondContact O-N 3.22Å; Q327-P330 WeakPolarHBondContact O-CD 3.36Å; Q327-I331 HydrophobicContact CB-CD1 4.18Å; Q327-I331 WeakPolarHBondContact O-CB 3.18Å; Q327-I331 WeakPolarHBondContact O-CD1 3.39Å; Q327-I331 VanDerWaalsContact O-CG1 3.22Å; Q327-I331 WeakPolarHBondContact O-CG1 3.31Å; Q327-I331 PolarHBondContact O-N 3.28Å
328V86.5Confident83.2Confident1 Ų127.8 Ų27.81%0.00614%0.137CC..Hα-helixtrans-64.5-39.1-173.7179.90000113V324 C326 I331 G332 P370 C373 L374V324-V328 WeakPolarHBondContact O-CG2 3.46Å; C326-V328 VanDerWaalsContact C-N 3.3Å; C326-V328 PolarHBondContact O-N 3.46Å; V328-I331 PolarHBondContact O-N 2.95Å; V328-G332 PolarHBondContact O-N 3.43Å; V328-P370 WeakPolarHBondContact CG1-O 3.18Å; V328-P370 HydrophobicContact CG2-CB 3.81Å; V328-C373 HydrophobicContact CB-CB 3.98Å; V328-C373 HydrophobicContact CG1-CB 3.78Å; V328-C373 HydrophobicContact CG2-CB 4.09Å; V328-L374 HydrophobicContact CG1-CB 3.71Å; V328-L374 VanDerWaalsContact CG1-N 3.33Å
329A83Confident84.2Confident18 Ų1827.5 Ų27.515%0.14914%0.135CC..Hα-helixtrans-67.5-48.3-179.400000112.1Q327 I331 G332 E333 Y377Q327-A329 PolarHBondContact O-N 3.22Å; A329-I331 VanDerWaalsContact C-N 3.33Å; A329-I331 PolarHBondContact O-N 2.96Å; A329-G332 CarbonylContact O-C 3.51Å; A329-G332 VanDerWaalsContact O-CA 3.31Å; A329-G332 WeakPolarHBondContact O-CA 3.23Å; A329-G332 PolarHBondContact O-N 3.47Å; A329-E333 PolarHBondContact O-N 2.93Å; A329-Y377 HydrophobicContact CB-CD2 3.71Å; A329-Y377 HydrophobicContact CB-CE2 4.31Å; A329-Y377 HydrophobicContact CB-CG 4.25Å
330P83.8Confident85Confident14 Ų1424.7 Ų24.79%0.09113%0.128CC..Hα-helixtrans-56.2-41.4169.4-27.433.6000114F296 V301 C326 Q327 G332 E333 C334F296-P330 HydrophobicContact CB-CG 3.87Å; F296-P330 HydrophobicContact CD1-CG 3.94Å; F296-P330 HydrophobicContact CD2-CB 4.24Å; F296-P330 HydrophobicContact CD2-CG 4.11Å; F296-P330 HydrophobicContact CG-CB 4.34Å; F296-P330 HydrophobicContact CG-CG 3.71Å; V301-P330 HydrophobicContact CB-CB 4.32Å; V301-P330 HydrophobicContact CG1-CB 3.71Å; V301-P330 HydrophobicContact CG2-CB 3.61Å; V301-P330 HydrophobicContact CG2-CG 4.25Å; C326-P330 WeakPolarHBondContact O-CD 3.47Å; Q327-P330 WeakPolarHBondContact O-CD 3.36Å; P330-G332 VanDerWaalsContact C-N 3.26Å; P330-G332 PolarHBondContact O-N 3.07Å; P330-E333 WeakPolarHBondContact O-CB 3.28Å; P330-E333 PolarHBondContact O-N 3.23Å; P330-E333 VanDerWaalsContact O-N 3.16Å; P330-C334 PolarHBondContact O-N 3.49Å; P330-C334 PolarHBondContact O-SG 2.99Å; P330-C334 VanDerWaalsContact O-SG 3.38Å
331I88.3Confident85.5Confident0 Ų029.4 Ų29.40%015%0.145CC..Hα-helixtrans-60.9-40.2173.3-69.6167.1000110.3V301 A304 F305 L308 W315 Q327 V328 A329 C334 I335V301-I331 HydrophobicContact CG1-CG1 4.14Å; A304-I331 HydrophobicContact CB-CD1 4.36Å; F305-I331 HydrophobicContact CD2-CG2 4.04Å; L308-I331 HydrophobicContact CD1-CD1 4.13Å; L308-I331 HydrophobicContact CD1-CG2 4.31Å; W315-I331 HydrophobicContact CH2-CD1 3.69Å; W315-I331 HydrophobicContact CZ2-CD1 4.19Å; Q327-I331 HydrophobicContact CB-CD1 4.18Å; Q327-I331 WeakPolarHBondContact O-CB 3.18Å; Q327-I331 WeakPolarHBondContact O-CD1 3.39Å; Q327-I331 VanDerWaalsContact O-CG1 3.22Å; Q327-I331 WeakPolarHBondContact O-CG1 3.31Å; Q327-I331 PolarHBondContact O-N 3.28Å; V328-I331 PolarHBondContact O-N 2.95Å; A329-I331 VanDerWaalsContact C-N 3.33Å; A329-I331 PolarHBondContact O-N 2.96Å; I331-C334 WeakPolarHBondContact O-CB 3.24Å; I331-C334 PolarHBondContact O-N 3.27Å; I331-I335 HydrophobicContact CG2-CD1 4.07Å; I331-I335 HydrophobicContact CG2-CG1 4.5Å; I331-I335 VanDerWaalsContact O-CG1 3.3Å; I331-I335 WeakPolarHBondContact O-CG1 3.32Å; I331-I335 PolarHBondContact O-N 2.81Å
332G88Confident86Confident0 Ų035.8 Ų35.80%018%0.18CC..Hα-helixtrans-59.4-41.4173.300000113.1V328 A329 P330 I335 V336V328-G332 PolarHBondContact O-N 3.43Å; A329-G332 CarbonylContact O-C 3.51Å; A329-G332 VanDerWaalsContact O-CA 3.31Å; A329-G332 WeakPolarHBondContact O-CA 3.23Å; A329-G332 PolarHBondContact O-N 3.47Å; P330-G332 VanDerWaalsContact C-N 3.26Å; P330-G332 PolarHBondContact O-N 3.07Å; G332-I335 PolarHBondContact O-N 3.19Å; G332-V336 WeakPolarHBondContact O-CG2 2.93Å; G332-V336 PolarHBondContact O-N 3.17Å
333E87Confident86.5Confident59 Ų5938.5 Ų38.528%0.27620%0.198SC..Hα-helixtrans-59.9-47.5172.1-77.1-64.9149.700111A329 P330 I335 V336 D337 Y377 R381A329-E333 PolarHBondContact O-N 2.93Å; P330-E333 WeakPolarHBondContact O-CB 3.28Å; P330-E333 PolarHBondContact O-N 3.23Å; P330-E333 VanDerWaalsContact O-N 3.16Å; E333-I335 VanDerWaalsContact C-N 3.31Å; E333-I335 PolarHBondContact O-N 3.37Å; E333-V336 PolarHBondContact O-N 3.43Å; E333-D337 WeakPolarHBondContact O-CB 3.49Å; E333-D337 PolarHBondContact O-N 3.47Å; E333-Y377 VanDerWaalsContact CA-OH 3.24Å; E333-Y377 WeakPolarHBondContact CA-OH 3.45Å; E333-Y377 HydrophobicContact CG-CE2 4.21Å; E333-Y377 WeakPolarHBondContact CG-OH 3.3Å; E333-Y377 PolarHBondContact N-OH 2.89Å; E333-Y377 VanDerWaalsContact N-OH 3.12Å; E333-Y377 PolarHBondContact OE1-OH 3.33Å; E333-R381 IonicContact OE1-CZ 3.4Å; E333-R381 IonicContact OE1-NH1 2.69Å; E333-R381 PolarHBondContact OE1-NH1 3.13Å; E333-R381 IonicContact OE2-CZ 3.05Å; E333-R381 IonicContact OE2-NH1 3.77Å; E333-R381 PolarHBondContact OE2-NH1 2.77Å; E333-R381 IonicContact OE2-NH2 3.66Å
334C88.7Confident87Confident27 Ų2736.9 Ų36.918%0.18219%0.191CC..Hα-helixtrans-59.2-40.5175.9-62.20000112.7F305 P330 I331 Q338F305-C334 HydrophobicContact CD1-CB 3.61Å; F305-C334 HydrophobicContact CE1-CB 3.6Å; F305-C334 HydrophobicContact CG-CB 4.08Å; F305-C334 HydrophobicContact CZ-CB 4.13Å; P330-C334 PolarHBondContact O-N 3.49Å; P330-C334 PolarHBondContact O-SG 2.99Å; P330-C334 VanDerWaalsContact O-SG 3.38Å; I331-C334 WeakPolarHBondContact O-CB 3.24Å; I331-C334 PolarHBondContact O-N 3.27Å; C334-Q338 WeakPolarHBondContact O-CB 3.21Å; C334-Q338 WeakPolarHBondContact O-CG 3.15Å; C334-Q338 PolarHBondContact O-N 3.03Å
335I90.9Very high87.4Confident0 Ų040.6 Ų40.60%021%0.214CC..Hα-helixtrans-61.5-51.2176.2-68.6164000110.1F305 I331 G332 E333 D337 Q338 V339 L349 V352 L374 V389F305-I335 HydrophobicContact CD2-CG1 4.4Å; F305-I335 HydrophobicContact CE2-CG1 3.58Å; F305-I335 HydrophobicContact CZ-CG1 4.11Å; I331-I335 HydrophobicContact CG2-CD1 4.07Å; I331-I335 HydrophobicContact CG2-CG1 4.5Å; I331-I335 VanDerWaalsContact O-CG1 3.3Å; I331-I335 WeakPolarHBondContact O-CG1 3.32Å; I331-I335 PolarHBondContact O-N 2.81Å; G332-I335 PolarHBondContact O-N 3.19Å; E333-I335 VanDerWaalsContact C-N 3.31Å; E333-I335 PolarHBondContact O-N 3.37Å; I335-D337 VanDerWaalsContact C-N 3.34Å; I335-D337 PolarHBondContact O-N 3.44Å; I335-Q338 PolarHBondContact O-N 3.3Å; I335-V339 HydrophobicContact CG2-CG2 4.43Å; I335-V339 WeakPolarHBondContact O-CG2 3.22Å; I335-V339 PolarHBondContact O-N 2.96Å; I335-L349 HydrophobicContact CG2-CD1 3.66Å; I335-V352 HydrophobicContact CD1-CG1 3.77Å; I335-V352 HydrophobicContact CG1-CG1 4.33Å; I335-L374 HydrophobicContact CD1-CD1 4.04Å; I335-L374 HydrophobicContact CD1-CD2 3.97Å; I335-V389 HydrophobicContact CG2-CG1 3.82Å; I335-V389 HydrophobicContact CG2-CG2 4.15Å
336V89.2Confident87.7Confident0 Ų044.4 Ų44.40%024%0.237CC..Hα-helixtrans-64-41.4-177.3176.90000111G332 E333 Q338 V339 K340 Y377 L378 R381 I385G332-V336 WeakPolarHBondContact O-CG2 2.93Å; G332-V336 PolarHBondContact O-N 3.17Å; E333-V336 PolarHBondContact O-N 3.43Å; V336-Q338 VanDerWaalsContact C-N 3.34Å; V336-Q338 PolarHBondContact O-N 3.15Å; V336-V339 PolarHBondContact O-N 3.3Å; V336-K340 VanDerWaalsContact O-CB 3.31Å; V336-K340 WeakPolarHBondContact O-CB 3.06Å; V336-K340 PolarHBondContact O-N 3.2Å; V336-Y377 HydrophobicContact CG2-CE1 4.49Å; V336-L378 HydrophobicContact CG2-CD2 3.97Å; V336-R381 VanDerWaalsContact CB-NH1 3.32Å; V336-I385 HydrophobicContact CG1-CB 3.86Å; V336-I385 HydrophobicContact CG1-CG2 3.67Å
337D89.3Confident88.2Confident65 Ų6547.8 Ų47.835%0.34825%0.25SC..Hα-helixtrans-62.5-38.6175.9-90.3-2.1000113E333 I335 K341E333-D337 WeakPolarHBondContact O-CB 3.49Å; E333-D337 PolarHBondContact O-N 3.47Å; I335-D337 VanDerWaalsContact C-N 3.34Å; I335-D337 PolarHBondContact O-N 3.44Å; D337-K341 WeakPolarHBondContact O-CB 3.24Å; D337-K341 VanDerWaalsContact O-CG 3.26Å; D337-K341 WeakPolarHBondContact O-CG 3.31Å; D337-K341 PolarHBondContact O-N 2.81Å
338Q89.7Confident88.6Confident33 Ų3349.7 Ų49.715%0.15426%0.259CS..Hα-helixtrans-72.9-36.8176.5-73.4-165.1-6.600112.9F305 R309 C334 I335 V336 K340 K341 N342 T343 I344F305-Q338 HydrophobicContact CE1-CG 4.17Å; F305-Q338 VanDerWaalsContact CE1-NE2 3.29Å; F305-Q338 HydrophobicContact CZ-CG 4.41Å; F305-Q338 VanDerWaalsContact CZ-OE1 3.31Å; R309-Q338 VanDerWaalsContact NH1-NE2 3.1Å; C334-Q338 WeakPolarHBondContact O-CB 3.21Å; C334-Q338 WeakPolarHBondContact O-CG 3.15Å; C334-Q338 PolarHBondContact O-N 3.03Å; I335-Q338 PolarHBondContact O-N 3.3Å; V336-Q338 VanDerWaalsContact C-N 3.34Å; V336-Q338 PolarHBondContact O-N 3.15Å; Q338-K340 VanDerWaalsContact C-N 3.34Å; Q338-K341 CarbonylContact O-C 3.34Å; Q338-K341 PolarHBondContact O-N 3.2Å; Q338-N342 PolarHBondContact O-N 3.49Å; Q338-T343 WeakPolarHBondContact CA-OG1 3.25Å; Q338-T343 WeakPolarHBondContact CB-OG1 2.88Å; Q338-T343 WeakPolarHBondContact CG-OG1 3.47Å; Q338-T343 PolarHBondContact O-N 3.06Å; Q338-T343 PolarHBondContact O-OG1 2.98Å; Q338-I344 HydrophobicContact CB-CB 3.9Å; Q338-I344 HydrophobicContact CB-CG2 3.76Å
339V89.8Confident88.9Confident10 Ų1049.8 Ų49.86%0.06126%0.259CS..Hα-helixtrans-65.2-41.8173173.70000110.2I335 V336 K341 N342 I344 I385 M388 V389I335-V339 HydrophobicContact CG2-CG2 4.43Å; I335-V339 WeakPolarHBondContact O-CG2 3.22Å; I335-V339 PolarHBondContact O-N 2.96Å; V336-V339 PolarHBondContact O-N 3.3Å; V339-K341 VanDerWaalsContact C-N 3.28Å; V339-K341 PolarHBondContact O-N 3.17Å; V339-N342 PolarHBondContact O-N 3.46Å; V339-N342 PolarHBondContact O-OD1 2.72Å; V339-I344 HydrophobicContact CB-CG2 4.38Å; V339-I344 HydrophobicContact CG2-CG2 3.46Å; V339-I344 VanDerWaalsContact CG2-CG2 3.46Å; V339-I385 HydrophobicContact CB-CG2 4.04Å; V339-I385 HydrophobicContact CG1-CG2 3.73Å; V339-M388 HydrophobicContact CG1-SD 3.81Å; V339-V389 HydrophobicContact CB-CG2 4.23Å; V339-V389 HydrophobicContact CG1-CG2 4.27Å; V339-V389 HydrophobicContact CG2-CG2 3.86Å
340K89.9Confident89.3Confident139 Ų13953.3 Ų53.360%0.60427%0.271SS*.Hα-helixtrans-57.5-40.2173.5-173.8175-179.7-179.40112.6V336 Q338 N342 I385V336-K340 VanDerWaalsContact O-CB 3.31Å; V336-K340 WeakPolarHBondContact O-CB 3.06Å; V336-K340 PolarHBondContact O-N 3.2Å; Q338-K340 VanDerWaalsContact C-N 3.34Å; K340-N342 VanDerWaalsContact C-N 3.31Å; K340-I385 HydrophobicContact CB-CD1 3.56Å; K340-I385 HydrophobicContact CD-CD1 3.76Å; K340-I385 HydrophobicContact CG-CD1 3.52Å
341K90.5Very high89.7Confident143 Ų14355.8 Ų55.862%0.62228%0.281SS*.THydrogen-bonded Turntrans-83.5-2.2178-66.8168.7-175.8167.90113.3D337 Q338 V339 T343D337-K341 WeakPolarHBondContact O-CB 3.24Å; D337-K341 VanDerWaalsContact O-CG 3.26Å; D337-K341 WeakPolarHBondContact O-CG 3.31Å; D337-K341 PolarHBondContact O-N 2.81Å; Q338-K341 CarbonylContact O-C 3.34Å; Q338-K341 PolarHBondContact O-N 3.2Å; V339-K341 VanDerWaalsContact C-N 3.28Å; V339-K341 PolarHBondContact O-N 3.17Å; K341-T343 HydrophobicContact CB-CG2 3.82Å; K341-T343 PolarHBondContact O-N 2.78Å
342N87.4Confident89.9Confident145 Ų14555.8 Ų55.878%0.77528%0.281SS*.THydrogen-bonded Turntrans52.132.2-170.8-69-40.3000114Q338 V339 K340Q338-N342 PolarHBondContact O-N 3.49Å; V339-N342 PolarHBondContact O-N 3.46Å; V339-N342 PolarHBondContact O-OD1 2.72Å; K340-N342 VanDerWaalsContact C-N 3.31Å
343T89.4Confident90.1Very high73 Ų7355.9 Ų55.945%0.44828%0.282SS..  trans-96.6-7.1-17753.90000114.3Q338 K341Q338-T343 WeakPolarHBondContact CA-OG1 3.25Å; Q338-T343 WeakPolarHBondContact CB-OG1 2.88Å; Q338-T343 WeakPolarHBondContact CG-OG1 3.47Å; Q338-T343 PolarHBondContact O-N 3.06Å; Q338-T343 PolarHBondContact O-OG1 2.98Å; K341-T343 HydrophobicContact CB-CG2 3.82Å; K341-T343 PolarHBondContact O-N 2.78Å
344I90.8Very high90.2Very high15 Ų1555 Ų558%0.07728%0.281CS..SBendtrans-110.3127.3176.9-171.1164.4000110.6F305 Q338 V339 E348 L349F305-I344 HydrophobicContact CZ-CD1 4.2Å; Q338-I344 HydrophobicContact CB-CB 3.9Å; Q338-I344 HydrophobicContact CB-CG2 3.76Å; V339-I344 HydrophobicContact CB-CG2 4.38Å; V339-I344 HydrophobicContact CG2-CG2 3.46Å; V339-I344 VanDerWaalsContact CG2-CG2 3.46Å; I344-E348 HydrophobicContact CD1-CB 4.4Å; I344-E348 HydrophobicContact CG1-CB 3.84Å; I344-L349 HydrophobicContact CD1-CB 4.34Å; I344-L349 HydrophobicContact CD1-CD1 4.11Å; I344-L349 HydrophobicContact CG1-CB 4.44Å
345T90.1Very high90.2Very high78 Ų7853.8 Ų53.848%0.47927%0.273SS..  trans-77.6158.5176.163.20000111.3E347 E348 L349T345-E347 PolarHBondContact O-N 3.44Å; T345-E348 WeakPolarHBondContact CB-OE2 3.32Å; T345-E348 WeakPolarHBondContact CG2-OE2 3.47Å; T345-E348 PolarHBondContact N-OE2 3.37Å; T345-E348 PolarHBondContact O-N 2.76Å; T345-E348 WeakPolarHBondContact OG1-CB 3.29Å; T345-E348 WeakPolarHBondContact OG1-CG 3.27Å; T345-E348 PolarHBondContact OG1-N 3.09Å; T345-E348 PolarHBondContact OG1-OE2 2.88Å; T345-L349 PolarHBondContact O-N 3.01Å
346T88.2Confident90.2Very high80 Ų8053.8 Ų53.849%0.49127%0.273SS..Hα-helixtrans-59.2-32.1175.2-56.40000112.3K350T346-K350 WeakPolarHBondContact O-CG 3.39Å; T346-K350 PolarHBondContact O-N 2.73Å; T346-K350 VanDerWaalsContact O-N 3.1Å
347E89.6Confident90.2Very high101 Ų10154 Ų5447%0.47227%0.273SS..Hα-helixtrans-75.1-43.2179.7-163.961.5-165.500112.2T345 L349 K350 H351T345-E347 PolarHBondContact O-N 3.44Å; E347-L349 PolarHBondContact O-N 3.47Å; E347-K350 WeakPolarHBondContact O-CB 3.46Å; E347-K350 PolarHBondContact O-N 3.24Å; E347-K350 VanDerWaalsContact O-N 3.14Å; E347-K350 IonicContact OE2-NZ 3.64Å; E347-K350 PolarHBondContact OE2-NZ 3.42Å; E347-H351 PolarHBondContact O-N 3.18Å
348E91.5Very high90Very high43 Ų4353.6 Ų53.620%0.20127%0.267CS..Hα-helixtrans-59.9-37.3171.5-72.1169.4119.100111.8R309 I344 T345 H351 V352R309-E348 IonicContact CZ-OE1 3.89Å; R309-E348 IonicContact NE-OE1 2.74Å; R309-E348 PolarHBondContact NE-OE1 3.42Å; R309-E348 IonicContact NH2-OE1 2.78Å; R309-E348 PolarHBondContact NH2-OE1 3.4Å; R309-E348 IonicContact NH2-OE2 3.25Å; I344-E348 HydrophobicContact CD1-CB 4.4Å; I344-E348 HydrophobicContact CG1-CB 3.84Å; T345-E348 WeakPolarHBondContact CB-OE2 3.32Å; T345-E348 WeakPolarHBondContact CG2-OE2 3.47Å; T345-E348 PolarHBondContact N-OE2 3.37Å; T345-E348 PolarHBondContact O-N 2.76Å; T345-E348 WeakPolarHBondContact OG1-CB 3.29Å; T345-E348 WeakPolarHBondContact OG1-CG 3.27Å; T345-E348 PolarHBondContact OG1-N 3.09Å; T345-E348 PolarHBondContact OG1-OE2 2.88Å; E348-H351 WeakPolarHBondContact O-CB 3.38Å; E348-H351 PolarHBondContact O-N 2.86Å; E348-V352 WeakPolarHBondContact O-CG2 3.5Å; E348-V352 PolarHBondContact O-N 2.67Å
349L91.5Very high89.7Confident3 Ų352 Ų522%0.01626%0.26CS..Hα-helixtrans-64.9-40.4176.2-170.365.2000111.7I335 I344 T345 E347 H351 V352 F353 K392I335-L349 HydrophobicContact CG2-CD1 3.66Å; I344-L349 HydrophobicContact CD1-CB 4.34Å; I344-L349 HydrophobicContact CD1-CD1 4.11Å; I344-L349 HydrophobicContact CG1-CB 4.44Å; T345-L349 PolarHBondContact O-N 3.01Å; E347-L349 PolarHBondContact O-N 3.47Å; L349-H351 VanDerWaalsContact C-N 3.34Å; L349-V352 WeakPolarHBondContact O-CB 3.49Å; L349-V352 PolarHBondContact O-N 2.75Å; L349-F353 HydrophobicContact CD1-CE1 3.76Å; L349-F353 HydrophobicContact CD1-CE2 4.37Å; L349-F353 HydrophobicContact CD1-CZ 3.67Å; L349-F353 HydrophobicContact CD2-CE2 3.97Å; L349-F353 HydrophobicContact CD2-CZ 3.75Å; L349-F353 HydrophobicContact CG-CD2 4.39Å; L349-F353 HydrophobicContact CG-CE1 3.98Å; L349-F353 HydrophobicContact CG-CE2 3.68Å; L349-F353 HydrophobicContact CG-CZ 3.45Å; L349-F353 VanDerWaalsContact CG-CZ 3.45Å; L349-F353 WeakPolarHBondContact O-CD2 3.49Å; L349-F353 VanDerWaalsContact O-CG 3.27Å; L349-F353 WeakPolarHBondContact O-CG 3.49Å; L349-F353 PolarHBondContact O-N 3.22Å; L349-K392 HydrophobicContact CD2-CB 3.99Å; L349-K392 HydrophobicContact CD2-CD 3.51Å; L349-K392 HydrophobicContact CD2-CG 4.4Å
350K91.1Very high89.4Confident92 Ų9255.3 Ų55.340%0.427%0.273SS..Hα-helixtrans-63.8-37.4172-72.4176-174.9170.80112.4T346 E347 V352 F353 T354 F396T346-K350 WeakPolarHBondContact O-CG 3.39Å; T346-K350 PolarHBondContact O-N 2.73Å; T346-K350 VanDerWaalsContact O-N 3.1Å; E347-K350 WeakPolarHBondContact O-CB 3.46Å; E347-K350 PolarHBondContact O-N 3.24Å; E347-K350 VanDerWaalsContact O-N 3.14Å; E347-K350 IonicContact OE2-NZ 3.64Å; E347-K350 PolarHBondContact OE2-NZ 3.42Å; K350-V352 VanDerWaalsContact C-N 3.32Å; K350-F353 PolarHBondContact O-N 3.28Å; K350-T354 WeakPolarHBondContact O-CB 3.44Å; K350-T354 PolarHBondContact O-N 3.44Å; K350-T354 PolarHBondContact O-OG1 3.43Å; K350-F396 HydrophobicContact CG-CD2 4.38Å
351H92.2Very high88.6Confident66 Ų6648.9 Ų48.931%0.30625%0.246SC..Hα-helixtrans-60.1-44.5173.1-68.4156.6000111.3L308 R309 E347 E348 L349 T354 G355L308-H351 CarbonylContact O-C 3.44Å; L308-H351 WeakPolarHBondContact O-CB 3.38Å; R309-H351 PolarHBondContact O-ND1 2.96Å; E347-H351 PolarHBondContact O-N 3.18Å; E348-H351 WeakPolarHBondContact O-CB 3.38Å; E348-H351 PolarHBondContact O-N 2.86Å; L349-H351 VanDerWaalsContact C-N 3.34Å; H351-T354 PolarHBondContact O-N 3.23Å; H351-G355 PolarHBondContact O-N 3.3Å
352V92.3Very high87.7Confident0 Ų047.9 Ų47.90%025%0.247CC..Hα-helixtrans-60.8-48.6176.3173.90000111F305 L308 R309 I335 E348 L349 K350 T354 G355 L356F305-V352 HydrophobicContact CD2-CG2 4.37Å; F305-V352 HydrophobicContact CE2-CG2 3.98Å; L308-V352 HydrophobicContact CB-CB 4.38Å; L308-V352 HydrophobicContact CB-CG1 4.38Å; L308-V352 HydrophobicContact CB-CG2 3.98Å; L308-V352 HydrophobicContact CD1-CG1 4.49Å; R309-V352 HydrophobicContact CG-CG2 3.97Å; I335-V352 HydrophobicContact CD1-CG1 3.77Å; I335-V352 HydrophobicContact CG1-CG1 4.33Å; E348-V352 WeakPolarHBondContact O-CG2 3.5Å; E348-V352 PolarHBondContact O-N 2.67Å; L349-V352 WeakPolarHBondContact O-CB 3.49Å; L349-V352 PolarHBondContact O-N 2.75Å; K350-V352 VanDerWaalsContact C-N 3.32Å; V352-T354 VanDerWaalsContact C-N 3.33Å; V352-T354 PolarHBondContact O-N 2.9Å; V352-G355 PolarHBondContact O-N 3.02Å; V352-L356 HydrophobicContact CG1-CD1 4.2Å; V352-L356 WeakPolarHBondContact O-CG 3.45Å; V352-L356 PolarHBondContact O-N 3.34Å
353F93.2Very high86.7Confident2 Ų243.9 Ų43.91%0.00924%0.24CC..Hα-helixtrans-61.6-41.1177.9-60.3-23.2000112.5L349 K350 G355 L356 L357 L371 L374 V389 K392 L393 F396L349-F353 HydrophobicContact CD1-CE1 3.76Å; L349-F353 HydrophobicContact CD1-CE2 4.37Å; L349-F353 HydrophobicContact CD1-CZ 3.67Å; L349-F353 HydrophobicContact CD2-CE2 3.97Å; L349-F353 HydrophobicContact CD2-CZ 3.75Å; L349-F353 HydrophobicContact CG-CD2 4.39Å; L349-F353 HydrophobicContact CG-CE1 3.98Å; L349-F353 HydrophobicContact CG-CE2 3.68Å; L349-F353 HydrophobicContact CG-CZ 3.45Å; L349-F353 VanDerWaalsContact CG-CZ 3.45Å; L349-F353 WeakPolarHBondContact O-CD2 3.49Å; L349-F353 VanDerWaalsContact O-CG 3.27Å; L349-F353 WeakPolarHBondContact O-CG 3.49Å; L349-F353 PolarHBondContact O-N 3.22Å; K350-F353 PolarHBondContact O-N 3.28Å; F353-G355 VanDerWaalsContact C-N 3.34Å; F353-L356 PolarHBondContact O-N 3.38Å; F353-L357 VanDerWaalsContact O-CB 3.32Å; F353-L357 WeakPolarHBondContact O-CB 3.24Å; F353-L357 PolarHBondContact O-N 3.18Å; F353-L371 HydrophobicContact CB-CD1 4.24Å; F353-L371 HydrophobicContact CD1-CD1 4.27Å; F353-L374 HydrophobicContact CD1-CD2 3.95Å; F353-L374 HydrophobicContact CE1-CD2 3.83Å; F353-V389 HydrophobicContact CE1-CG1 4.47Å; F353-V389 HydrophobicContact CZ-CG1 4.15Å; F353-K392 HydrophobicContact CE2-CB 4.41Å; F353-L393 HydrophobicContact CB-CD1 4.46Å; F353-L393 HydrophobicContact CD1-CD1 4.01Å; F353-L393 HydrophobicContact CD2-CD1 4.01Å; F353-L393 HydrophobicContact CE1-CB 4.44Å; F353-L393 HydrophobicContact CE1-CD1 4.17Å; F353-L393 HydrophobicContact CE2-CB 4.03Å; F353-L393 HydrophobicContact CE2-CD1 4.17Å; F353-L393 HydrophobicContact CG-CD1 3.92Å; F353-L393 HydrophobicContact CZ-CB 3.88Å; F353-L393 HydrophobicContact CZ-CD1 4.23Å; F353-F396 HydrophobicContact CB-CD1 3.67Å; F353-F396 HydrophobicContact CB-CD2 4.18Å; F353-F396 HydrophobicContact CB-CE1 3.6Å; F353-F396 HydrophobicContact CB-CE2 4.11Å; F353-F396 HydrophobicContact CB-CG 3.96Å; F353-F396 HydrophobicContact CB-CZ 3.83Å; F353-F396 HydrophobicContact CD2-CB 3.82Å; F353-F396 HydrophobicContact CD2-CD1 4.12Å; F353-F396 HydrophobicContact CD2-CD2 4.32Å; F353-F396 AromaticContact CD2-CG 3.82Å; F353-F396 HydrophobicContact CD2-CG 3.82Å; F353-F396 HydrophobicContact CE2-CB 4.4Å; F353-F396 HydrophobicContact CG-CD1 4.28Å; F353-F396 HydrophobicContact CG-CG 4.36Å
354T89.3Confident85.8Confident41 Ų4144.6 Ų44.625%0.25224%0.244SC..Hα-helixtrans-64.4-40.2175.8-57.20000111.6K350 H351 V352 L357 R358 F396K350-T354 WeakPolarHBondContact O-CB 3.44Å; K350-T354 PolarHBondContact O-N 3.44Å; K350-T354 PolarHBondContact O-OG1 3.43Å; H351-T354 PolarHBondContact O-N 3.23Å; V352-T354 VanDerWaalsContact C-N 3.33Å; V352-T354 PolarHBondContact O-N 2.9Å; T354-L357 PolarHBondContact O-N 3.12Å; T354-R358 WeakPolarHBondContact O-CB 3.38Å; T354-R358 PolarHBondContact O-N 3.36Å; T354-F396 WeakPolarHBondContact OG1-CE2 3.27Å
355G88.3Confident85Confident1 Ų145.7 Ų45.71%0.0125%0.249CC..Hα-helixtrans-65.6-36.3177.200000113.3H351 V352 F353 V359H351-G355 PolarHBondContact O-N 3.3Å; V352-G355 PolarHBondContact O-N 3.02Å; F353-G355 VanDerWaalsContact C-N 3.34Å; G355-V359 WeakPolarHBondContact O-CG2 3.45Å; G355-V359 PolarHBondContact O-N 2.84Å
356L90.2Very high84.3Confident0 Ų042.2 Ų42.20%023%0.228CC..Hα-helixtrans-76.9-30.1174-67176000113.2L308 W315 V352 F353 R358 P370 L371 L374L308-L356 HydrophobicContact CD1-CD2 4.01Å; L308-L356 HydrophobicContact CD1-CG 4.33Å; W315-L356 HydrophobicContact CZ2-CD2 3.88Å; V352-L356 HydrophobicContact CG1-CD1 4.2Å; V352-L356 WeakPolarHBondContact O-CG 3.45Å; V352-L356 PolarHBondContact O-N 3.34Å; F353-L356 PolarHBondContact O-N 3.38Å; L356-R358 VanDerWaalsContact C-N 3.32Å; L356-P370 HydrophobicContact CB-CB 4.41Å; L356-P370 HydrophobicContact CD2-CB 4.03Å; L356-L371 HydrophobicContact CB-CB 4.2Å; L356-L371 HydrophobicContact CB-CD1 4.01Å; L356-L371 HydrophobicContact CD1-CD1 4.36Å; L356-L374 HydrophobicContact CD1-CB 4.27Å; L356-L374 HydrophobicContact CD1-CD2 3.62Å; L356-L374 HydrophobicContact CD1-CG 4.48Å
357L89.3Confident84.1Confident3 Ų338.4 Ų38.42%0.01621%0.205CC..Hα-helixtrans-68.4-34.2173.8-178.658.7000112F353 T354 C368 L371 F396 A400 I415 M418F353-L357 VanDerWaalsContact O-CB 3.32Å; F353-L357 WeakPolarHBondContact O-CB 3.24Å; F353-L357 PolarHBondContact O-N 3.18Å; T354-L357 PolarHBondContact O-N 3.12Å; L357-C368 HydrophobicContact CD1-CB 4.33Å; L357-C368 WeakPolarHBondContact O-CB 3.27Å; L357-L371 HydrophobicContact CB-CD2 4.02Å; L357-L371 HydrophobicContact CD1-CD2 4.16Å; L357-F396 HydrophobicContact CD2-CE1 4.19Å; L357-F396 HydrophobicContact CD2-CZ 4.16Å; L357-A400 HydrophobicContact CD2-CB 4.41Å; L357-I415 HydrophobicContact CD1-CG1 4.31Å; L357-I415 HydrophobicContact CD1-CG2 4.04Å; L357-M418 HydrophobicContact CD1-CE 3.19Å
358R85.1Confident84Confident58 Ų5833.6 Ų33.622%0.21918%0.182CC..THydrogen-bonded Turntrans-122.443.7-167.6-60.9-178.8171.7177.3-2.2112T313 T354 L356 K360 E404T313-R358 VanDerWaalsContact CB-O 3.22Å; T313-R358 WeakPolarHBondContact CB-O 3.44Å; T313-R358 HydrophobicContact CG2-CB 4.25Å; T313-R358 PolarHBondContact OG1-O 3.36Å; T354-R358 WeakPolarHBondContact O-CB 3.38Å; T354-R358 PolarHBondContact O-N 3.36Å; L356-R358 VanDerWaalsContact C-N 3.32Å; R358-K360 PolarHBondContact O-N 3.31Å; R358-K360 VanDerWaalsContact O-N 3.1Å; R358-E404 IonicContact CZ-OE1 3.23Å; R358-E404 IonicContact NE-OE1 3.6Å; R358-E404 IonicContact NH2-OE1 3.56Å; R358-E404 PolarHBondContact NH2-OE1 2.73Å
359V84.4Confident84Confident0 Ų031.6 Ų31.60%017%0.173CC..EExtended strand (participates in β ladder)trans-57.6121.7-178.4172.90000110.1W315 V324 G355 V361 Q365 C366 M367 P370W315-V359 HydrophobicContact CD2-CG1 4.49Å; W315-V359 HydrophobicContact CG-CG1 4.02Å; V324-V359 HydrophobicContact CG1-CG1 4.26Å; G355-V359 WeakPolarHBondContact O-CG2 3.45Å; G355-V359 PolarHBondContact O-N 2.84Å; V359-V361 HydrophobicContact CG1-CG2 4.21Å; V359-Q365 WeakPolarHBondContact O-CA 3.42Å; V359-C366 PolarHBondContact O-N 3.32Å; V359-C366 VanDerWaalsContact O-N 3.11Å; V359-M367 HydrophobicContact CB-CB 4.3Å; V359-M367 HydrophobicContact CG1-CE 3.79Å; V359-M367 PolarHBondContact N-O 3.38Å; V359-P370 HydrophobicContact CG2-CB 4.26Å; V359-P370 HydrophobicContact CG2-CG 3.79Å
360K82.5Confident83.8Confident78 Ų7831.4 Ų31.434%0.33917%0.172SC..EExtended strand (participates in β ladder)trans-107.8127.1172.8-63.4-175.9-175.6-176.10109.3T313 G314 W315 R358 V364 Q365T313-K360 PolarHBondContact O-N 3.21Å; T313-K360 WeakPolarHBondContact OG1-CD 3.15Å; T313-K360 WeakPolarHBondContact OG1-CG 3.38Å; G314-K360 WeakPolarHBondContact CA-O 3.33Å; W315-K360 PolarHBondContact N-O 3.22Å; R358-K360 PolarHBondContact O-N 3.31Å; R358-K360 VanDerWaalsContact O-N 3.1Å; K360-V364 WeakPolarHBondContact CA-O 3.33Å; K360-Q365 HydrophobicContact CG-CB 4.08Å
361V74.6Confident83.8Confident5 Ų527 Ų273%0.0315%0.153CC..EExtended strand (participates in β ladder)trans-115.1132.4168.1179.80000106.9L230 V318 W321 V359 G363 V364 M367L230-V361 HydrophobicContact CD1-CG1 3.93Å; L230-V361 HydrophobicContact CD2-CG1 4.11Å; L230-V361 HydrophobicContact CG-CG1 4.46Å; V318-V361 HydrophobicContact CG2-CG2 4.49Å; W321-V361 HydrophobicContact CE3-CG2 4.44Å; W321-V361 HydrophobicContact CH2-CB 3.88Å; W321-V361 HydrophobicContact CH2-CG1 4.08Å; W321-V361 HydrophobicContact CH2-CG2 4.33Å; W321-V361 HydrophobicContact CZ3-CB 3.69Å; W321-V361 HydrophobicContact CZ3-CG1 4.11Å; W321-V361 HydrophobicContact CZ3-CG2 3.61Å; V359-V361 HydrophobicContact CG1-CG2 4.21Å; V361-G363 PolarHBondContact O-N 3.5Å; V361-V364 PolarHBondContact N-O 3.41Å; V361-V364 VanDerWaalsContact N-O 3.09Å; V361-V364 PolarHBondContact O-N 2.96Å; V361-M367 HydrophobicContact CG2-CE 4.4Å
362N70.2Confident83.6Confident121 Ų12123.9 Ų23.965%0.64714%0.138SC*.THydrogen-bonded Turntrans51.830.9-175.4-59.5-27.3000114L230 V364L230-N362 PolarHBondContact O-ND2 3.17Å; N362-V364 VanDerWaalsContact C-N 3.33Å; N362-V364 PolarHBondContact O-N 3.19Å
363G66.4Low83.3Confident61 Ų6124.3 Ų24.363%0.62914%0.141SC*.THydrogen-bonded Turntrans85.8-11179.700000115.8V361V361-G363 PolarHBondContact O-N 3.5Å
364V70.9Confident83.1Confident88 Ų8824.2 Ų24.253%0.53314%0.14SC..EExtended strand (participates in β ladder)trans-96.3128.9-179.6-1780000110.2K360 V361 N362 C366K360-V364 WeakPolarHBondContact CA-O 3.33Å; V361-V364 PolarHBondContact N-O 3.41Å; V361-V364 VanDerWaalsContact N-O 3.09Å; V361-V364 PolarHBondContact O-N 2.96Å; N362-V364 VanDerWaalsContact C-N 3.33Å; N362-V364 PolarHBondContact O-N 3.19Å; V364-C366 PolarHBondContact O-N 3.17Å
365Q74Confident82.9Confident38 Ų3822.2 Ų22.218%0.17813%0.128CC..EExtended strand (participates in β ladder)trans-72.9109.8172.6-177.6-179.8-19.100109.6V359 K360V359-Q365 WeakPolarHBondContact O-CA 3.42Å; K360-Q365 HydrophobicContact CG-CB 4.08Å
366C76.5Confident82.4Confident6 Ų622.3 Ų22.34%0.04113%0.128CC..EExtended strand (participates in β ladder)trans-113.6-29.9-170.953.60000112.9W321 V359 V364 R414W321-C366 HydrophobicContact CH2-CB 4.1Å; W321-C366 HydrophobicContact CZ3-CB 3.95Å; W321-C366 WeakPolarHBondContact CZ3-SG 3.47Å; V359-C366 PolarHBondContact O-N 3.32Å; V359-C366 VanDerWaalsContact O-N 3.11Å; V364-C366 PolarHBondContact O-N 3.17Å; C366-R414 PolarHBondContact O-NH1 2.98Å
367M83.5Confident81.9Confident0 Ų023.2 Ų23.20%013%0.132CC..EExtended strand (participates in β ladder)trans-135.4146.9-168.8-64.9-178.7-6500113.9F239 D240 W321 V324 V359 V361 P370F239-M367 HydrophobicContact CD1-SD 4.19Å; F239-M367 HydrophobicContact CE1-SD 4.5Å; D240-M367 HydrophobicContact CB-CB 4.39Å; D240-M367 HydrophobicContact CB-CG 3.96Å; D240-M367 WeakPolarHBondContact OD1-CA 2.96Å; W321-M367 HydrophobicContact CE3-CE 3.68Å; W321-M367 HydrophobicContact CE3-SD 3.86Å; W321-M367 HydrophobicContact CZ3-CE 4.05Å; V324-M367 HydrophobicContact CB-CE 3.74Å; V324-M367 HydrophobicContact CG1-CE 3.72Å; V324-M367 HydrophobicContact CG2-CE 3.69Å; V359-M367 HydrophobicContact CB-CB 4.3Å; V359-M367 HydrophobicContact CG1-CE 3.79Å; V359-M367 PolarHBondContact N-O 3.38Å; V361-M367 HydrophobicContact CG2-CE 4.4Å; M367-P370 HydrophobicContact CB-CG 4.47Å
368C87.9Confident81.6Confident0 Ų023.1 Ų23.10%013%0.131CC..  trans-130-9.1167.263.20000113.3D240 L357 P370 L371 M418D240-C368 PolarHBondContact OD1-N 3.02Å; D240-C368 VanDerWaalsContact OD1-N 3.15Å; D240-C368 PolarHBondContact OD2-N 2.76Å; D240-C368 VanDerWaalsContact OD2-N 3.1Å; D240-C368 PolarHBondContact OD2-SG 2.91Å; D240-C368 VanDerWaalsContact OD2-SG 3.34Å; L357-C368 HydrophobicContact CD1-CB 4.33Å; L357-C368 WeakPolarHBondContact O-CB 3.27Å; C368-P370 VanDerWaalsContact C-N 3.28Å; C368-L371 PolarHBondContact O-N 2.95Å; C368-M418 HydrophobicContact CB-CE 4.36Å; C368-M418 HydrophobicContact CB-CG 4.34Å; C368-M418 WeakPolarHBondContact O-CG 3.48Å
369S89.5Confident81.1Confident0 Ų020.3 Ų20.30%012%0.121CC..Hα-helixtrans-53.7-27.2171.750.60000116D240 L325 L371 L372 C373D240-S369 WeakPolarHBondContact OD1-CB 3.45Å; D240-S369 PolarHBondContact OD1-N 3Å; D240-S369 PolarHBondContact OD1-OG 3.22Å; L325-S369 WeakPolarHBondContact CD2-OG 3.45Å; S369-L371 VanDerWaalsContact C-N 3.27Å; S369-L371 PolarHBondContact O-N 3.35Å; S369-L372 WeakPolarHBondContact O-CB 3.1Å; S369-L372 PolarHBondContact O-N 3.26Å; S369-L372 VanDerWaalsContact O-N 3.08Å; S369-C373 PolarHBondContact O-N 3.02Å; S369-C373 PolarHBondContact O-SG 3.1Å; S369-C373 VanDerWaalsContact O-SG 3.32Å
370P89.4Confident80.5Confident0 Ų020.7 Ų20.70%012%0.123CC..Hα-helixtrans-59.3-35.2176.7-28.838.2000113.8V324 L325 V328 L356 V359 M367 C368 L372 C373 L374V324-P370 HydrophobicContact CG1-CG 3.85Å; L325-P370 HydrophobicContact CD2-CG 3.92Å; V328-P370 WeakPolarHBondContact CG1-O 3.18Å; V328-P370 HydrophobicContact CG2-CB 3.81Å; L356-P370 HydrophobicContact CB-CB 4.41Å; L356-P370 HydrophobicContact CD2-CB 4.03Å; V359-P370 HydrophobicContact CG2-CB 4.26Å; V359-P370 HydrophobicContact CG2-CG 3.79Å; M367-P370 HydrophobicContact CB-CG 4.47Å; C368-P370 VanDerWaalsContact C-N 3.28Å; P370-L372 VanDerWaalsContact C-N 3.35Å; P370-C373 WeakPolarHBondContact O-CB 3.37Å; P370-C373 PolarHBondContact O-N 3.43Å; P370-L374 PolarHBondContact O-N 3.3Å
371L90.9Very high80Confident0 Ų019.1 Ų19.10%012%0.115CC..Hα-helixtrans-70.8-33.2177.1-16762.9000112.3F353 L356 L357 C368 S369 L374 A375 L393 F396 L397 M418F353-L371 HydrophobicContact CB-CD1 4.24Å; F353-L371 HydrophobicContact CD1-CD1 4.27Å; L356-L371 HydrophobicContact CB-CB 4.2Å; L356-L371 HydrophobicContact CB-CD1 4.01Å; L356-L371 HydrophobicContact CD1-CD1 4.36Å; L357-L371 HydrophobicContact CB-CD2 4.02Å; L357-L371 HydrophobicContact CD1-CD2 4.16Å; C368-L371 PolarHBondContact O-N 2.95Å; S369-L371 VanDerWaalsContact C-N 3.27Å; S369-L371 PolarHBondContact O-N 3.35Å; L371-L374 HydrophobicContact CD1-CD2 4.17Å; L371-L374 PolarHBondContact O-N 2.98Å; L371-A375 PolarHBondContact O-N 3.11Å; L371-L393 HydrophobicContact CD1-CD1 3.67Å; L371-L393 HydrophobicContact CD2-CD1 4.24Å; L371-L393 HydrophobicContact CG-CD1 4.11Å; L371-F396 HydrophobicContact CD2-CD1 4.39Å; L371-F396 HydrophobicContact CD2-CE1 3.93Å; L371-L397 HydrophobicContact CD2-CD2 3.62Å; L371-L397 HydrophobicContact CG-CD2 4.46Å; L371-M418 HydrophobicContact CB-CE 4.17Å; L371-M418 HydrophobicContact CB-SD 4.22Å; L371-M418 HydrophobicContact CD2-CE 4.07Å
372L87.8Confident79.9Confident0 Ų020.1 Ų20.10%013%0.126CC..Hα-helixtrans-63.2-45171.117563.8000111L244 H247 S369 P370 L374 A375 Q376 M418 A422 F425L244-L372 HydrophobicContact CD2-CD2 3.67Å; H247-L372 HydrophobicContact CB-CD2 4.33Å; S369-L372 WeakPolarHBondContact O-CB 3.1Å; S369-L372 PolarHBondContact O-N 3.26Å; S369-L372 VanDerWaalsContact O-N 3.08Å; P370-L372 VanDerWaalsContact C-N 3.35Å; L372-L374 VanDerWaalsContact C-N 3.25Å; L372-L374 PolarHBondContact O-N 2.99Å; L372-A375 PolarHBondContact O-N 2.82Å; L372-Q376 WeakPolarHBondContact O-CB 3.29Å; L372-Q376 PolarHBondContact O-N 3.22Å; L372-M418 HydrophobicContact CB-CG 4.02Å; L372-M418 HydrophobicContact CB-SD 4.08Å; L372-A422 HydrophobicContact CD1-CB 3.9Å; L372-F425 HydrophobicContact CD1-CD2 4.03Å; L372-F425 HydrophobicContact CD1-CE2 3.93Å
373C85.7Confident80.3Confident8 Ų816.7 Ų16.75%0.05411%0.108CC..Hα-helixtrans-60.4-35.1174.9-64.10000112.1W269 V328 S369 P370 Y377W269-C373 HydrophobicContact CZ2-CB 4.39Å; W269-C373 WeakPolarHBondContact CZ2-SG 3.5Å; V328-C373 HydrophobicContact CB-CB 3.98Å; V328-C373 HydrophobicContact CG1-CB 3.78Å; V328-C373 HydrophobicContact CG2-CB 4.09Å; S369-C373 PolarHBondContact O-N 3.02Å; S369-C373 PolarHBondContact O-SG 3.1Å; S369-C373 VanDerWaalsContact O-SG 3.32Å; P370-C373 WeakPolarHBondContact O-CB 3.37Å; P370-C373 PolarHBondContact O-N 3.43Å; C373-Y377 WeakPolarHBondContact O-CB 3.24Å; C373-Y377 PolarHBondContact O-N 3.02Å
374L88Confident81.2Confident0 Ų019.3 Ų19.30%011%0.107CC..Hα-helixtrans-68.9-47.8175.7178.264.4000111V328 I335 F353 L356 P370 L371 L372 Q376 Y377 L378V328-L374 HydrophobicContact CG1-CB 3.71Å; V328-L374 VanDerWaalsContact CG1-N 3.33Å; I335-L374 HydrophobicContact CD1-CD1 4.04Å; I335-L374 HydrophobicContact CD1-CD2 3.97Å; F353-L374 HydrophobicContact CD1-CD2 3.95Å; F353-L374 HydrophobicContact CE1-CD2 3.83Å; L356-L374 HydrophobicContact CD1-CB 4.27Å; L356-L374 HydrophobicContact CD1-CD2 3.62Å; L356-L374 HydrophobicContact CD1-CG 4.48Å; P370-L374 PolarHBondContact O-N 3.3Å; L371-L374 HydrophobicContact CD1-CD2 4.17Å; L371-L374 PolarHBondContact O-N 2.98Å; L372-L374 VanDerWaalsContact C-N 3.25Å; L372-L374 PolarHBondContact O-N 2.99Å; L374-Q376 PolarHBondContact O-N 3.06Å; L374-Y377 HydrophobicContact CD1-CD1 4.14Å; L374-Y377 PolarHBondContact O-N 3.31Å; L374-Y377 VanDerWaalsContact O-N 3.12Å; L374-L378 HydrophobicContact CD1-CD1 4.35Å; L374-L378 HydrophobicContact CD1-CG 4.19Å; L374-L378 HydrophobicContact CG-CD1 4.09Å; L374-L378 HydrophobicContact CG-CG 4.38Å; L374-L378 WeakPolarHBondContact O-CG 3.32Å; L374-L378 PolarHBondContact O-N 2.68Å
375A85.6Confident81.9Confident0 Ų016.9 Ų16.90%09%0.091CC..Hα-helixtrans-55.2-42.4177.600000111.2L371 L372 A379 L393 A422 L426L371-A375 PolarHBondContact O-N 3.11Å; L372-A375 PolarHBondContact O-N 2.82Å; A375-A379 WeakPolarHBondContact O-CB 3.46Å; A375-A379 PolarHBondContact O-N 2.84Å; A375-A379 VanDerWaalsContact O-N 3.11Å; A375-L393 HydrophobicContact CB-CD2 3.87Å; A375-A422 HydrophobicContact CB-CB 3.95Å; A375-L426 HydrophobicContact CB-CD1 4.33Å; A375-L426 HydrophobicContact CB-CD2 4.02Å; A375-L426 HydrophobicContact CB-CG 4.08Å
376Q78Confident82.5Confident2 Ų215.1 Ų15.11%0.0098%0.083CC..Hα-helixtrans-66.4-48.1174.8-173.1-167.4-11.600112.2T273 L277 L372 L374 L378 A379 L380 F425T273-Q376 PolarHBondContact O-NE2 2.87Å; T273-Q376 PolarHBondContact OG1-NE2 3.37Å; L277-Q376 HydrophobicContact CD1-CB 4.14Å; L277-Q376 HydrophobicContact CD1-CG 3.35Å; L277-Q376 WeakPolarHBondContact CD1-O 3.38Å; L372-Q376 WeakPolarHBondContact O-CB 3.29Å; L372-Q376 PolarHBondContact O-N 3.22Å; L374-Q376 PolarHBondContact O-N 3.06Å; Q376-L378 VanDerWaalsContact C-N 3.3Å; Q376-L378 PolarHBondContact O-N 2.97Å; Q376-A379 PolarHBondContact O-N 3.4Å; Q376-L380 PolarHBondContact O-N 3.3Å; Q376-F425 HydrophobicContact CB-CD2 4.06Å; Q376-F425 HydrophobicContact CB-CE2 3.89Å; Q376-F425 HydrophobicContact CB-CZ 4.32Å; Q376-F425 HydrophobicContact CG-CD2 4.48Å; Q376-F425 HydrophobicContact CG-CE1 4.3Å; Q376-F425 HydrophobicContact CG-CE2 4Å; Q376-F425 HydrophobicContact CG-CZ 3.92Å
377Y80.6Confident82.8Confident20 Ų2018.7 Ų18.78%0.07810%0.096CC..Hα-helixtrans-57.8-42.3177.2159.6-90000112.6A329 E333 V336 C373 L374 A379 L380 R381A329-Y377 HydrophobicContact CB-CD2 3.71Å; A329-Y377 HydrophobicContact CB-CE2 4.31Å; A329-Y377 HydrophobicContact CB-CG 4.25Å; E333-Y377 VanDerWaalsContact CA-OH 3.24Å; E333-Y377 WeakPolarHBondContact CA-OH 3.45Å; E333-Y377 HydrophobicContact CG-CE2 4.21Å; E333-Y377 WeakPolarHBondContact CG-OH 3.3Å; E333-Y377 PolarHBondContact N-OH 2.89Å; E333-Y377 VanDerWaalsContact N-OH 3.12Å; E333-Y377 PolarHBondContact OE1-OH 3.33Å; V336-Y377 HydrophobicContact CG2-CE1 4.49Å; C373-Y377 WeakPolarHBondContact O-CB 3.24Å; C373-Y377 PolarHBondContact O-N 3.02Å; L374-Y377 HydrophobicContact CD1-CD1 4.14Å; L374-Y377 PolarHBondContact O-N 3.31Å; L374-Y377 VanDerWaalsContact O-N 3.12Å; Y377-A379 VanDerWaalsContact C-N 3.34Å; Y377-A379 PolarHBondContact O-N 3.33Å; Y377-L380 WeakPolarHBondContact O-CB 3.33Å; Y377-L380 PolarHBondContact O-N 3.06Å; Y377-R381 PolarHBondContact O-N 2.89Å; Y377-R381 PolarHBondContact OH-NH1 2.87Å
378L82.7Confident83Confident0 Ų023 Ų230%012%0.116CC..Hα-helixtrans-62.2-43.6177.5-68.7171000111.6V336 L374 Q376 L380 R381 G382 A386 V389 L393V336-L378 HydrophobicContact CG2-CD2 3.97Å; L374-L378 HydrophobicContact CD1-CD1 4.35Å; L374-L378 HydrophobicContact CD1-CG 4.19Å; L374-L378 HydrophobicContact CG-CD1 4.09Å; L374-L378 HydrophobicContact CG-CG 4.38Å; L374-L378 WeakPolarHBondContact O-CG 3.32Å; L374-L378 PolarHBondContact O-N 2.68Å; Q376-L378 VanDerWaalsContact C-N 3.3Å; Q376-L378 PolarHBondContact O-N 2.97Å; L378-L380 VanDerWaalsContact C-N 3.35Å; L378-R381 PolarHBondContact O-N 2.93Å; L378-G382 PolarHBondContact O-N 2.74Å; L378-A386 HydrophobicContact CB-CB 4.44Å; L378-A386 HydrophobicContact CD2-CB 4.09Å; L378-A386 WeakPolarHBondContact O-CB 3.36Å; L378-V389 HydrophobicContact CD1-CB 4.19Å; L378-V389 HydrophobicContact CD1-CG1 3.61Å; L378-V389 HydrophobicContact CD2-CB 3.92Å; L378-V389 HydrophobicContact CD2-CG1 3.79Å; L378-V389 HydrophobicContact CG-CG1 4.36Å; L378-L393 HydrophobicContact CD1-CD2 4Å
379A74.5Confident83.2Confident0 Ų023 Ų230%012%0.116CC..Hα-helixtrans-67.2-36.9179.200000111.6L277 H282 A375 Q376 Y377 F425 F429L277-A379 HydrophobicContact CD1-CB 3.84Å; L277-A379 HydrophobicContact CD2-CB 3.27Å; L277-A379 HydrophobicContact CG-CB 4.17Å; H282-A379 PolarHBondContact CD2-O 2.89Å; H282-A379 PolarHBondContact NE2-O 3.45Å; H282-A379 VanDerWaalsContact NE2-O 3.15Å; A375-A379 WeakPolarHBondContact O-CB 3.46Å; A375-A379 PolarHBondContact O-N 2.84Å; A375-A379 VanDerWaalsContact O-N 3.11Å; Q376-A379 PolarHBondContact O-N 3.4Å; Y377-A379 VanDerWaalsContact C-N 3.34Å; Y377-A379 PolarHBondContact O-N 3.33Å; A379-F425 HydrophobicContact CB-CB 4.31Å; A379-F429 HydrophobicContact CB-CB 3.89Å; A379-F429 HydrophobicContact CB-CD1 4.21Å; A379-F429 HydrophobicContact CB-CG 4.03Å
380L71.5Confident83.1Confident7 Ų723 Ų234%0.03712%0.116CC..Hα-helixtrans-60.8-45.9173.4-82.2172.6000112.4T273 L277 V287 L290 Q376 Y377 L378 G382T273-L380 HydrophobicContact CG2-CD1 4.2Å; T273-L380 VanDerWaalsContact O-CD1 3.22Å; T273-L380 WeakPolarHBondContact O-CD1 3.31Å; T273-L380 VanDerWaalsContact O-CD2 3.25Å; T273-L380 WeakPolarHBondContact O-CD2 3.48Å; T273-L380 WeakPolarHBondContact O-CG 3.22Å; L277-L380 HydrophobicContact CD1-CB 4.33Å; L277-L380 HydrophobicContact CD1-CD2 4.02Å; L277-L380 HydrophobicContact CD1-CG 3.57Å; L277-L380 HydrophobicContact CG-CD2 3.88Å; L277-L380 HydrophobicContact CG-CG 3.96Å; V287-L380 WeakPolarHBondContact CG2-O 3.38Å; L290-L380 HydrophobicContact CD1-CD1 4.1Å; L290-L380 HydrophobicContact CD1-CD2 4.35Å; Q376-L380 PolarHBondContact O-N 3.3Å; Y377-L380 WeakPolarHBondContact O-CB 3.33Å; Y377-L380 PolarHBondContact O-N 3.06Å; L378-L380 VanDerWaalsContact C-N 3.35Å; L380-G382 PolarHBondContact O-N 2.86Å
381R72.3Confident83Confident45 Ų4527.4 Ų27.417%0.1714%0.137CC..Hα-helixtrans-61.2-35.4-173.7-176.5171.9173.8147.22.9112.3E333 V336 Y377 L378 D383 A386E333-R381 IonicContact OE1-CZ 3.4Å; E333-R381 IonicContact OE1-NH1 2.69Å; E333-R381 PolarHBondContact OE1-NH1 3.13Å; E333-R381 IonicContact OE2-CZ 3.05Å; E333-R381 IonicContact OE2-NH1 3.77Å; E333-R381 PolarHBondContact OE2-NH1 2.77Å; E333-R381 IonicContact OE2-NH2 3.66Å; V336-R381 VanDerWaalsContact CB-NH1 3.32Å; Y377-R381 PolarHBondContact O-N 2.89Å; Y377-R381 PolarHBondContact OH-NH1 2.87Å; L378-R381 PolarHBondContact O-N 2.93Å; R381-D383 IonicContact CZ-OD2 2.63Å; R381-D383 IonicContact NE-OD1 3.69Å; R381-D383 IonicContact NE-OD2 3.29Å; R381-D383 PolarHBondContact NE-OD2 2.9Å; R381-D383 IonicContact NH2-OD2 2.98Å; R381-D383 PolarHBondContact NH2-OD2 3Å; R381-D383 PolarHBondContact O-N 3.36Å; R381-A386 HydrophobicContact CB-CB 4.11Å; R381-A386 HydrophobicContact CG-CB 4.28Å
382G71Confident83Confident27 Ų2730.4 Ų30.428%0.27815%0.15SC..  trans74.3-8.8166.900000116.5L378 L380L378-G382 PolarHBondContact O-N 2.74Å; L380-G382 PolarHBondContact O-N 2.86Å
383D80.1Confident83.2Confident48 Ų4830.4 Ų30.426%0.25715%0.15SC..  trans-78.2161.3-175.768.93.7000112.9R381 I385 A386 R387R381-D383 IonicContact CZ-OD2 2.63Å; R381-D383 IonicContact NE-OD1 3.69Å; R381-D383 IonicContact NE-OD2 3.29Å; R381-D383 PolarHBondContact NE-OD2 2.9Å; R381-D383 IonicContact NH2-OD2 2.98Å; R381-D383 PolarHBondContact NH2-OD2 3Å; R381-D383 PolarHBondContact O-N 3.36Å; D383-I385 PolarHBondContact O-N 3.1Å; D383-A386 PolarHBondContact O-N 3.48Å; D383-A386 WeakPolarHBondContact OD1-CA 3.18Å; D383-A386 WeakPolarHBondContact OD1-CB 3.41Å; D383-A386 PolarHBondContact OD1-N 3.49Å; D383-R387 PolarHBondContact O-N 2.78Å
384D83.8Confident83.2Confident116 Ų11631.3 Ų31.362%0.6216%0.157SC*.Hα-helixtrans-61-28.9-177.1-63.5-33.2000112.3R387 M388D384-R387 PolarHBondContact O-N 3.01Å; D384-R387 IonicContact OD1-CZ 2.93Å; D384-R387 IonicContact OD1-NH1 2.88Å; D384-R387 PolarHBondContact OD1-NH1 3.36Å; D384-R387 IonicContact OD1-NH2 3.91Å; D384-M388 PolarHBondContact O-N 2.65Å; D384-M388 VanDerWaalsContact O-N 3.07Å
385I86.7Confident83.3Confident38 Ų3835.7 Ų35.720%0.19518%0.184CC..Hα-helixtrans-74.6-45.1178.5-47.4-175.5000110.2V336 V339 K340 D383 R387 M388 V389V336-I385 HydrophobicContact CG1-CB 3.86Å; V336-I385 HydrophobicContact CG1-CG2 3.67Å; V339-I385 HydrophobicContact CB-CG2 4.04Å; V339-I385 HydrophobicContact CG1-CG2 3.73Å; K340-I385 HydrophobicContact CB-CD1 3.56Å; K340-I385 HydrophobicContact CD-CD1 3.76Å; K340-I385 HydrophobicContact CG-CD1 3.52Å; D383-I385 PolarHBondContact O-N 3.1Å; I385-R387 PolarHBondContact O-N 2.84Å; I385-M388 WeakPolarHBondContact O-CB 3.21Å; I385-M388 PolarHBondContact O-N 3.42Å; I385-M388 VanDerWaalsContact O-N 3.16Å; I385-V389 WeakPolarHBondContact O-CG2 2.93Å; I385-V389 PolarHBondContact O-N 3.33Å
386A85.8Confident83.5Confident0 Ų036.6 Ų36.60%019%0.188CC..Hα-helixtrans-60.3-35.9172.400000111.2L378 R381 D383 V389 A390 F429L378-A386 HydrophobicContact CB-CB 4.44Å; L378-A386 HydrophobicContact CD2-CB 4.09Å; L378-A386 WeakPolarHBondContact O-CB 3.36Å; R381-A386 HydrophobicContact CB-CB 4.11Å; R381-A386 HydrophobicContact CG-CB 4.28Å; D383-A386 PolarHBondContact O-N 3.48Å; D383-A386 WeakPolarHBondContact OD1-CA 3.18Å; D383-A386 WeakPolarHBondContact OD1-CB 3.41Å; D383-A386 PolarHBondContact OD1-N 3.49Å; A386-V389 PolarHBondContact O-N 3.39Å; A386-A390 WeakPolarHBondContact O-CB 3.29Å; A386-A390 PolarHBondContact O-N 3.19Å; A386-F429 HydrophobicContact CB-CE1 4.24Å; A386-F429 HydrophobicContact CB-CZ 4.22Å
387R84.3Confident83.9Confident82 Ų8236.5 Ų36.531%0.30919%0.187SC..Hα-helixtrans-61.1-45.9173.3-165.7-180-58.2108.39.3111.8D383 D384 I385 V389 A390 E391 F429D383-R387 PolarHBondContact O-N 2.78Å; D384-R387 PolarHBondContact O-N 3.01Å; D384-R387 IonicContact OD1-CZ 2.93Å; D384-R387 IonicContact OD1-NH1 2.88Å; D384-R387 PolarHBondContact OD1-NH1 3.36Å; D384-R387 IonicContact OD1-NH2 3.91Å; I385-R387 PolarHBondContact O-N 2.84Å; R387-V389 VanDerWaalsContact C-N 3.32Å; R387-V389 PolarHBondContact O-N 2.93Å; R387-A390 WeakPolarHBondContact O-CB 3.31Å; R387-A390 PolarHBondContact O-N 2.8Å; R387-E391 WeakPolarHBondContact O-CG 3.22Å; R387-E391 PolarHBondContact O-N 3.48Å; R387-F429 VanDerWaalsContact CA-CE1 3.41Å; R387-F429 HydrophobicContact CB-CE1 3.95Å; R387-F429 HydrophobicContact CB-CZ 3.84Å; R387-F429 HydrophobicContact CG-CE1 4.4Å; R387-F429 HydrophobicContact CG-CZ 4.45Å
388M87.4Confident84Confident89 Ų8939.1 Ų39.144%0.43820%0.203SC..Hα-helixtrans-60.5-40.4174.9-172.4-164.6-67.800112.2V339 D384 I385 K392V339-M388 HydrophobicContact CG1-SD 3.81Å; D384-M388 PolarHBondContact O-N 2.65Å; D384-M388 VanDerWaalsContact O-N 3.07Å; I385-M388 WeakPolarHBondContact O-CB 3.21Å; I385-M388 PolarHBondContact O-N 3.42Å; I385-M388 VanDerWaalsContact O-N 3.16Å; M388-K392 WeakPolarHBondContact O-CG 3.18Å; M388-K392 PolarHBondContact O-N 3.22Å
389V90.5Very high84Confident0 Ų042 Ų420%022%0.223CC..Hα-helixtrans-68.1-40.2175.6-178.70000111I335 V339 F353 L378 I385 A386 R387 K392 L393I335-V389 HydrophobicContact CG2-CG1 3.82Å; I335-V389 HydrophobicContact CG2-CG2 4.15Å; V339-V389 HydrophobicContact CB-CG2 4.23Å; V339-V389 HydrophobicContact CG1-CG2 4.27Å; V339-V389 HydrophobicContact CG2-CG2 3.86Å; F353-V389 HydrophobicContact CE1-CG1 4.47Å; F353-V389 HydrophobicContact CZ-CG1 4.15Å; L378-V389 HydrophobicContact CD1-CB 4.19Å; L378-V389 HydrophobicContact CD1-CG1 3.61Å; L378-V389 HydrophobicContact CD2-CB 3.92Å; L378-V389 HydrophobicContact CD2-CG1 3.79Å; L378-V389 HydrophobicContact CG-CG1 4.36Å; I385-V389 WeakPolarHBondContact O-CG2 2.93Å; I385-V389 PolarHBondContact O-N 3.33Å; A386-V389 PolarHBondContact O-N 3.39Å; R387-V389 VanDerWaalsContact C-N 3.32Å; R387-V389 PolarHBondContact O-N 2.93Å; V389-K392 PolarHBondContact O-N 3.43Å; V389-L393 WeakPolarHBondContact O-CB 3.5Å; V389-L393 PolarHBondContact O-N 2.92Å
390A87.9Confident84Confident0 Ų042.4 Ų42.40%023%0.226CC..Hα-helixtrans-63.3-39.6177.600000112.2A386 R387 L393 S394 L426 F429 V430A386-A390 WeakPolarHBondContact O-CB 3.29Å; A386-A390 PolarHBondContact O-N 3.19Å; R387-A390 WeakPolarHBondContact O-CB 3.31Å; R387-A390 PolarHBondContact O-N 2.8Å; A390-L393 PolarHBondContact O-N 3.23Å; A390-S394 WeakPolarHBondContact O-CB 3.19Å; A390-S394 PolarHBondContact O-N 3.49Å; A390-L426 HydrophobicContact CB-CD2 3.68Å; A390-F429 HydrophobicContact CB-CD1 3.68Å; A390-F429 HydrophobicContact CB-CE1 3.85Å; A390-V430 HydrophobicContact CB-CG2 3.86Å
391E88.6Confident83.8Confident94 Ų9445.3 Ų45.344%0.43924%0.244SC..Hα-helixtrans-61.3-48172.2-74.5170.5-173.500111.3R387 L393 S394 T395 V430R387-E391 WeakPolarHBondContact O-CG 3.22Å; R387-E391 PolarHBondContact O-N 3.48Å; E391-L393 VanDerWaalsContact C-N 3.32Å; E391-L393 PolarHBondContact O-N 3.42Å; E391-S394 WeakPolarHBondContact O-CB 3.48Å; E391-S394 PolarHBondContact O-N 3.24Å; E391-T395 WeakPolarHBondContact O-CG2 3.15Å; E391-T395 PolarHBondContact O-N 3.29Å; E391-T395 PolarHBondContact O-OG1 3.27Å; E391-V430 HydrophobicContact CG-CG1 3.7Å; E391-V430 HydrophobicContact CG-CG2 4.26Å
392K90.6Very high83.2Confident63 Ų6347.1 Ų47.127%0.27426%0.264SS..Hα-helixtrans-61.5-40.5175.4-70.2-177.8-175.2-177.80111.6L349 F353 M388 V389 T395 F396L349-K392 HydrophobicContact CD2-CB 3.99Å; L349-K392 HydrophobicContact CD2-CD 3.51Å; L349-K392 HydrophobicContact CD2-CG 4.4Å; F353-K392 HydrophobicContact CE2-CB 4.41Å; M388-K392 WeakPolarHBondContact O-CG 3.18Å; M388-K392 PolarHBondContact O-N 3.22Å; V389-K392 PolarHBondContact O-N 3.43Å; K392-T395 PolarHBondContact O-N 3.34Å; K392-T395 PolarHBondContact O-OG1 2.9Å; K392-F396 PolarHBondContact O-N 2.94Å
393L91.3Very high82.4Confident0 Ų050.5 Ų50.50%028%0.279CS..Hα-helixtrans-63.8-43.1174.8179.657000111.2F353 L371 A375 L378 V389 A390 E391 T395 F396 L397 L426F353-L393 HydrophobicContact CB-CD1 4.46Å; F353-L393 HydrophobicContact CD1-CD1 4.01Å; F353-L393 HydrophobicContact CD2-CD1 4.01Å; F353-L393 HydrophobicContact CE1-CB 4.44Å; F353-L393 HydrophobicContact CE1-CD1 4.17Å; F353-L393 HydrophobicContact CE2-CB 4.03Å; F353-L393 HydrophobicContact CE2-CD1 4.17Å; F353-L393 HydrophobicContact CG-CD1 3.92Å; F353-L393 HydrophobicContact CZ-CB 3.88Å; F353-L393 HydrophobicContact CZ-CD1 4.23Å; L371-L393 HydrophobicContact CD1-CD1 3.67Å; L371-L393 HydrophobicContact CD2-CD1 4.24Å; L371-L393 HydrophobicContact CG-CD1 4.11Å; A375-L393 HydrophobicContact CB-CD2 3.87Å; L378-L393 HydrophobicContact CD1-CD2 4Å; V389-L393 WeakPolarHBondContact O-CB 3.5Å; V389-L393 PolarHBondContact O-N 2.92Å; A390-L393 PolarHBondContact O-N 3.23Å; E391-L393 VanDerWaalsContact C-N 3.32Å; E391-L393 PolarHBondContact O-N 3.42Å; L393-T395 PolarHBondContact O-N 3.01Å; L393-F396 HydrophobicContact CD1-CD1 4.23Å; L393-F396 WeakPolarHBondContact O-CB 3.5Å; L393-F396 PolarHBondContact O-N 3.44Å; L393-L397 HydrophobicContact CD1-CD2 4.38Å; L393-L397 HydrophobicContact CD1-CG 4.22Å; L393-L397 HydrophobicContact CG-CD1 4.34Å; L393-L397 HydrophobicContact CG-CG 4.44Å; L393-L397 VanDerWaalsContact O-CG 3.31Å; L393-L397 WeakPolarHBondContact O-CG 3.14Å; L393-L397 PolarHBondContact O-N 3.22Å; L393-L426 HydrophobicContact CB-CD1 4.33Å; L393-L426 HydrophobicContact CD2-CD1 3.99Å; L393-L426 HydrophobicContact CD2-CD2 4.19Å; L393-L426 HydrophobicContact CG-CD1 3.86Å
394S87.1Confident81.2Confident27 Ų2748.5 Ų48.519%0.18927%0.268CS..Hα-helixtrans-58.8-48.2176.9-167.30000111.4A390 E391 F396 L397 D398A390-S394 WeakPolarHBondContact O-CB 3.19Å; A390-S394 PolarHBondContact O-N 3.49Å; E391-S394 WeakPolarHBondContact O-CB 3.48Å; E391-S394 PolarHBondContact O-N 3.24Å; S394-F396 VanDerWaalsContact C-N 3.28Å; S394-F396 PolarHBondContact O-N 3.08Å; S394-L397 PolarHBondContact O-N 3.19Å; S394-L397 VanDerWaalsContact O-N 3.17Å; S394-D398 VanDerWaalsContact O-CG 3.28Å; S394-D398 PolarHBondContact O-N 3.42Å
395T88.2Confident79.6Confident92 Ų9251 Ų5156%0.56428%0.278SS*.Hα-helixtrans-61.8-35.917760.90000112.6E391 K392 L393 S399E391-T395 WeakPolarHBondContact O-CG2 3.15Å; E391-T395 PolarHBondContact O-N 3.29Å; E391-T395 PolarHBondContact O-OG1 3.27Å; K392-T395 PolarHBondContact O-N 3.34Å; K392-T395 PolarHBondContact O-OG1 2.9Å; L393-T395 PolarHBondContact O-N 3.01Å; T395-S399 PolarHBondContact O-N 3.5Å
396F90.3Very high77.8Confident19 Ų1956.8 Ų56.88%0.08331%0.309CS..Hα-helixtrans-63.5-48.2173.1170.6-95.8000111.8K350 F353 T354 L357 L371 K392 L393 S394 D398 S399 A400K350-F396 HydrophobicContact CG-CD2 4.38Å; F353-F396 HydrophobicContact CB-CD1 3.67Å; F353-F396 HydrophobicContact CB-CD2 4.18Å; F353-F396 HydrophobicContact CB-CE1 3.6Å; F353-F396 HydrophobicContact CB-CE2 4.11Å; F353-F396 HydrophobicContact CB-CG 3.96Å; F353-F396 HydrophobicContact CB-CZ 3.83Å; F353-F396 HydrophobicContact CD2-CB 3.82Å; F353-F396 HydrophobicContact CD2-CD1 4.12Å; F353-F396 HydrophobicContact CD2-CD2 4.32Å; F353-F396 AromaticContact CD2-CG 3.82Å; F353-F396 HydrophobicContact CD2-CG 3.82Å; F353-F396 HydrophobicContact CE2-CB 4.4Å; F353-F396 HydrophobicContact CG-CD1 4.28Å; F353-F396 HydrophobicContact CG-CG 4.36Å; T354-F396 WeakPolarHBondContact OG1-CE2 3.27Å; L357-F396 HydrophobicContact CD2-CE1 4.19Å; L357-F396 HydrophobicContact CD2-CZ 4.16Å; L371-F396 HydrophobicContact CD2-CD1 4.39Å; L371-F396 HydrophobicContact CD2-CE1 3.93Å; K392-F396 PolarHBondContact O-N 2.94Å; L393-F396 HydrophobicContact CD1-CD1 4.23Å; L393-F396 WeakPolarHBondContact O-CB 3.5Å; L393-F396 PolarHBondContact O-N 3.44Å; S394-F396 VanDerWaalsContact C-N 3.28Å; S394-F396 PolarHBondContact O-N 3.08Å; F396-D398 VanDerWaalsContact C-N 3.27Å; F396-D398 PolarHBondContact O-N 3.36Å; F396-S399 PolarHBondContact O-N 2.97Å; F396-S399 VanDerWaalsContact O-N 3.16Å; F396-S399 PolarHBondContact O-OG 3.01Å; F396-A400 PolarHBondContact O-N 3.36Å
397L87.5Confident76.7Confident0 Ų061.6 Ų61.60%033%0.327CS..Hα-helixtrans-61.1-36.7179.2-64.5175.2000111.9L371 L393 S394 A400 T401 I419 A422 R423 L426L371-L397 HydrophobicContact CD2-CD2 3.62Å; L371-L397 HydrophobicContact CG-CD2 4.46Å; L393-L397 HydrophobicContact CD1-CD2 4.38Å; L393-L397 HydrophobicContact CD1-CG 4.22Å; L393-L397 HydrophobicContact CG-CD1 4.34Å; L393-L397 HydrophobicContact CG-CG 4.44Å; L393-L397 VanDerWaalsContact O-CG 3.31Å; L393-L397 WeakPolarHBondContact O-CG 3.14Å; L393-L397 PolarHBondContact O-N 3.22Å; S394-L397 PolarHBondContact O-N 3.19Å; S394-L397 VanDerWaalsContact O-N 3.17Å; L397-A400 PolarHBondContact O-N 3.04Å; L397-T401 PolarHBondContact O-N 2.82Å; L397-I419 HydrophobicContact CB-CG2 4.11Å; L397-I419 HydrophobicContact CD2-CG1 3.94Å; L397-A422 HydrophobicContact CD1-CB 4.03Å; L397-R423 HydrophobicContact CD1-CG 4.45Å; L397-L426 HydrophobicContact CD1-CD1 3.6Å
398D82.3Confident76.1Confident75 Ų7561.3 Ų61.340%0.40134%0.338SS..Hα-helixtrans-62-45.2175.3-65.3-24.7000111.4S394 F396 A400 T401 R423S394-D398 VanDerWaalsContact O-CG 3.28Å; S394-D398 PolarHBondContact O-N 3.42Å; F396-D398 VanDerWaalsContact C-N 3.27Å; F396-D398 PolarHBondContact O-N 3.36Å; D398-A400 PolarHBondContact O-N 2.73Å; D398-T401 PolarHBondContact O-OG1 3.23Å; D398-R423 IonicContact OD1-CZ 2.68Å; D398-R423 IonicContact OD1-NE 2.93Å; D398-R423 PolarHBondContact OD1-NE 3.26Å; D398-R423 IonicContact OD1-NH2 3.79Å; D398-R423 PolarHBondContact OD1-NH2 3.09Å
399S82Confident75.7Confident61 Ų6164.1 Ų64.143%0.42735%0.347SS..Hα-helixtrans-66.3-36.8175.872.30000113.1T395 F396 T401 S402T395-S399 PolarHBondContact O-N 3.5Å; F396-S399 PolarHBondContact O-N 2.97Å; F396-S399 VanDerWaalsContact O-N 3.16Å; F396-S399 PolarHBondContact O-OG 3.01Å; S399-T401 VanDerWaalsContact C-N 3.28Å; S399-T401 PolarHBondContact O-N 3.12Å; S399-S402 PolarHBondContact O-N 3.2Å; S399-S402 VanDerWaalsContact O-N 3.15Å; S399-S402 PolarHBondContact O-OG 3.29Å
400A75.9Confident75.1Confident8 Ų868.9 Ų68.97%0.06637%0.37CS..Hα-helixtrans-62.8-33-176.700000112.7L357 F396 L397 D398 S402 V403 E404 I419L357-A400 HydrophobicContact CD2-CB 4.41Å; F396-A400 PolarHBondContact O-N 3.36Å; L397-A400 PolarHBondContact O-N 3.04Å; D398-A400 PolarHBondContact O-N 2.73Å; A400-S402 PolarHBondContact O-N 3.01Å; A400-V403 PolarHBondContact O-N 3.05Å; A400-E404 WeakPolarHBondContact O-CG 3.18Å; A400-I419 HydrophobicContact CB-CD1 4.14Å
401T65.6Low74.7Confident67 Ų6770.3 Ų70.341%0.41138%0.378SS..Hα-helixtrans-61.8-25.1177.854.80000114.1L397 D398 S399 I419L397-T401 PolarHBondContact O-N 2.82Å; D398-T401 PolarHBondContact O-OG1 3.23Å; S399-T401 VanDerWaalsContact C-N 3.28Å; S399-T401 PolarHBondContact O-N 3.12Å; T401-I419 HydrophobicContact CG2-CD1 3.81Å; T401-I419 HydrophobicContact CG2-CG2 4.07Å
402S59.7Low74.4Confident84 Ų8467.6 Ų67.659%0.58737%0.368SS*.Hα-helixtrans-85-24.7-178.767.60000114.5S399 A400S399-S402 PolarHBondContact O-N 3.2Å; S399-S402 VanDerWaalsContact O-N 3.15Å; S399-S402 PolarHBondContact O-OG 3.29Å; A400-S402 PolarHBondContact O-N 3.01Å
403V53.9Low74.1Confident97 Ų9766.1 Ų66.159%0.58836%0.363SS*.Hα-helixtrans-90.6-16.8-169.4-179.60000112.8A400 M405A400-V403 PolarHBondContact O-N 3.05Å; V403-M405 VanDerWaalsContact C-N 3.33Å; V403-M405 PolarHBondContact O-N 3.46Å
404E56Low73.9Confident7 Ų766.3 Ų66.33%0.03336%0.364CS..G310 helixtrans-8510.9-169-66.1-71.3156.800115.3R358 A400 D406 T412 I415R358-E404 IonicContact CZ-OE1 3.23Å; R358-E404 IonicContact NE-OE1 3.6Å; R358-E404 IonicContact NH2-OE1 3.56Å; R358-E404 PolarHBondContact NH2-OE1 2.73Å; A400-E404 WeakPolarHBondContact O-CG 3.18Å; E404-D406 PolarHBondContact O-N 3.37Å; E404-T412 HydrophobicContact CB-CG2 3.95Å; E404-T412 PolarHBondContact O-OG1 3.18Å; E404-I415 HydrophobicContact CG-CD1 4.48Å; E404-I415 HydrophobicContact CG-CG2 4.33Å
405M50.1Low73.8Confident168 Ų16865.1 Ų65.183%0.82836%0.355SS*.G310 helixtrans-69.8-12.4-177.6-69.3-168.169.800114.8V403V403-M405 VanDerWaalsContact C-N 3.33Å; V403-M405 PolarHBondContact O-N 3.46Å
406D49.2Very low73.7Confident160 Ų16063 Ų6386%0.85635%0.345SS*.G310 helixtrans-94.910.8-174-73-22000115.2E404E404-D406 PolarHBondContact O-N 3.37Å
407R61.8Low73.5Confident101 Ų10162.8 Ų62.838%0.38134%0.343SS..SBendtrans-120.3174.3-172.7-72-176.6172.4-162-5.2114.3K409R407-K409 PolarHBondContact O-N 3.33Å
408S72.3Confident73.6Confident75 Ų7562.8 Ų62.852%0.52434%0.343SS..  trans-58.6131.7174.462.60000110.3H410 V411 T412S408-H410 PolarHBondContact O-N 2.95Å; S408-V411 PolarHBondContact O-N 2.83Å; S408-V411 VanDerWaalsContact OG-CG2 3.31Å; S408-V411 WeakPolarHBondContact OG-CG2 3.47Å; S408-T412 PolarHBondContact O-N 2.91Å
409K78.4Confident73.8Confident148 Ų14859.3 Ų59.364%0.64333%0.325SS*.Hα-helixtrans-48.3-39.8-173.6-173.3179.6176.6-178.80113.4R407 V411 T412 D413R407-K409 PolarHBondContact O-N 3.33Å; K409-V411 PolarHBondContact O-N 2.91Å; K409-T412 PolarHBondContact O-N 2.98Å; K409-D413 WeakPolarHBondContact O-CB 3.34Å; K409-D413 VanDerWaalsContact O-CG 3.3Å; K409-D413 PolarHBondContact O-N 3.34Å
410H78.3Confident73.7Confident101 Ų10158.4 Ų58.447%0.46832%0.315SS..Hα-helixtrans-65.2-37.1-179.8-57.6-53.9000113.8S408 R414S408-H410 PolarHBondContact O-N 2.95Å; H410-R414 WeakPolarHBondContact O-CB 3.37Å; H410-R414 PolarHBondContact O-N 3.49Å
411V80.7Confident74Confident30 Ų3058 Ų5818%0.18231%0.312CS..Hα-helixtrans-68.9-42.7177.5174.20000110.1S408 K409 R414 I415S408-V411 PolarHBondContact O-N 2.83Å; S408-V411 VanDerWaalsContact OG-CG2 3.31Å; S408-V411 WeakPolarHBondContact OG-CG2 3.47Å; K409-V411 PolarHBondContact O-N 2.91Å; V411-R414 PolarHBondContact O-N 2.69Å; V411-I415 HydrophobicContact CG1-CD1 3.94Å; V411-I415 WeakPolarHBondContact O-CG1 3.49Å; V411-I415 PolarHBondContact O-N 3.12Å
412T82.2Confident74.7Confident36 Ų3654.8 Ų54.822%0.22129%0.292CS..Hα-helixtrans-63.5-45.3177-540000111.4E404 S408 K409 R414 I415 S416E404-T412 HydrophobicContact CB-CG2 3.95Å; E404-T412 PolarHBondContact O-OG1 3.18Å; S408-T412 PolarHBondContact O-N 2.91Å; K409-T412 PolarHBondContact O-N 2.98Å; T412-R414 PolarHBondContact O-N 2.76Å; T412-I415 PolarHBondContact O-N 3.36Å; T412-S416 WeakPolarHBondContact O-CB 3.49Å; T412-S416 PolarHBondContact O-N 3.22Å
413D84.4Confident75.6Confident32 Ų3253.1 Ų53.117%0.17127%0.273CS..Hα-helixtrans-61.1-43.3176.9-75.3-11.5000111.4S194 K409 S416 F417S194-D413 WeakPolarHBondContact CB-OD2 3.37Å; S194-D413 PolarHBondContact OG-OD2 2.85Å; K409-D413 WeakPolarHBondContact O-CB 3.34Å; K409-D413 VanDerWaalsContact O-CG 3.3Å; K409-D413 PolarHBondContact O-N 3.34Å; D413-S416 PolarHBondContact O-N 3.02Å; D413-F417 WeakPolarHBondContact O-CB 3.32Å; D413-F417 PolarHBondContact O-N 3.45Å
414R85.6Confident76.3Confident5 Ų550.7 Ų50.72%0.01925%0.253CS..Hα-helixtrans-64.2-43.9177.2-176.2176.265.8167.6-3.1112.7M193 D240 L241 L244 C366 H410 V411 T412 F417 M418M193-R414 HydrophobicContact CE-CB 4.48Å; M193-R414 HydrophobicContact CE-CG 3.88Å; D240-R414 WeakPolarHBondContact OD2-CD 3.48Å; D240-R414 IonicContact OD2-CZ 3.66Å; D240-R414 IonicContact OD2-NE 3.74Å; D240-R414 IonicContact OD2-NH1 2.77Å; D240-R414 PolarHBondContact OD2-NH1 3.16Å; L241-R414 HydrophobicContact CD2-CG 4.26Å; L244-R414 HydrophobicContact CD1-CG 3.85Å; C366-R414 PolarHBondContact O-NH1 2.98Å; H410-R414 WeakPolarHBondContact O-CB 3.37Å; H410-R414 PolarHBondContact O-N 3.49Å; V411-R414 PolarHBondContact O-N 2.69Å; T412-R414 PolarHBondContact O-N 2.76Å; R414-F417 WeakPolarHBondContact O-CB 3.32Å; R414-F417 PolarHBondContact O-N 2.77Å; R414-M418 WeakPolarHBondContact O-CB 3.29Å; R414-M418 PolarHBondContact O-N 3.36Å
415I86.5Confident76.8Confident2 Ų250.5 Ų50.51%0.0125%0.252CS..Hα-helixtrans-63.3-45.3176-73.7170.6000110.2L357 E404 V411 T412 F417 M418 I419L357-I415 HydrophobicContact CD1-CG1 4.31Å; L357-I415 HydrophobicContact CD1-CG2 4.04Å; E404-I415 HydrophobicContact CG-CD1 4.48Å; E404-I415 HydrophobicContact CG-CG2 4.33Å; V411-I415 HydrophobicContact CG1-CD1 3.94Å; V411-I415 WeakPolarHBondContact O-CG1 3.49Å; V411-I415 PolarHBondContact O-N 3.12Å; T412-I415 PolarHBondContact O-N 3.36Å; I415-F417 VanDerWaalsContact C-N 3.31Å; I415-F417 PolarHBondContact O-N 2.64Å; I415-M418 PolarHBondContact O-N 2.91Å; I415-I419 HydrophobicContact CG2-CD1 3.57Å; I415-I419 HydrophobicContact CG2-CG1 4.2Å; I415-I419 WeakPolarHBondContact O-CB 3.2Å; I415-I419 VanDerWaalsContact O-CG1 3.25Å; I415-I419 WeakPolarHBondContact O-CG1 3.25Å; I415-I419 PolarHBondContact O-N 2.95Å
416S85.3Confident77.8Confident48 Ų4842.5 Ų42.534%0.33621%0.213SC..Hα-helixtrans-57.8-44.6175-178.90000111.6T412 D413 M418 I419 N420T412-S416 WeakPolarHBondContact O-CB 3.49Å; T412-S416 PolarHBondContact O-N 3.22Å; D413-S416 PolarHBondContact O-N 3.02Å; S416-M418 PolarHBondContact O-N 3.44Å; S416-I419 PolarHBondContact O-N 3.34Å; S416-N420 WeakPolarHBondContact O-CB 3.41Å; S416-N420 VanDerWaalsContact O-CG 3.23Å; S416-N420 PolarHBondContact O-N 3.02Å; S416-N420 PolarHBondContact O-ND2 3.4Å
417F85.8Confident78.5Confident14 Ų1439.6 Ų39.66%0.06120%0.195CC..Hα-helixtrans-60-46.8175.4-174.5-83.8000112M193 L198 L244 L245 R248 D413 R414 I415 N420 S421M193-F417 HydrophobicContact CB-CB 4.38Å; M193-F417 HydrophobicContact CB-CD2 4.44Å; M193-F417 HydrophobicContact CB-CG 4.49Å; M193-F417 HydrophobicContact CE-CB 3.91Å; M193-F417 HydrophobicContact CE-CD1 3.29Å; M193-F417 HydrophobicContact CE-CD2 4.33Å; M193-F417 HydrophobicContact CE-CE1 3.78Å; M193-F417 HydrophobicContact CE-CG 3.59Å; M193-F417 HydrophobicContact CE-CZ 4.43Å; M193-F417 HydrophobicContact SD-CD1 4.02Å; M193-F417 HydrophobicContact SD-CD2 4.22Å; M193-F417 HydrophobicContact SD-CE1 4.06Å; M193-F417 HydrophobicContact SD-CE2 4.25Å; M193-F417 HydrophobicContact SD-CG 4.07Å; M193-F417 HydrophobicContact SD-CZ 4.15Å; L198-F417 HydrophobicContact CD2-CE2 3.7Å; L198-F417 HydrophobicContact CD2-CZ 3.63Å; L244-F417 HydrophobicContact CB-CD1 4.22Å; L244-F417 HydrophobicContact CB-CE1 3.98Å; L244-F417 WeakPolarHBondContact O-CE1 3.22Å; L245-F417 HydrophobicContact CD2-CE2 4.47Å; L245-F417 HydrophobicContact CD2-CZ 4.05Å; R248-F417 HydrophobicContact CB-CE1 3.8Å; R248-F417 HydrophobicContact CB-CE2 4.43Å; R248-F417 HydrophobicContact CB-CZ 3.38Å; R248-F417 HydrophobicContact CG-CE1 4.25Å; R248-F417 HydrophobicContact CG-CE2 4.12Å; R248-F417 HydrophobicContact CG-CZ 3.51Å; R248-F417 PolarHBondContact NH2-O 2.82Å; D413-F417 WeakPolarHBondContact O-CB 3.32Å; D413-F417 PolarHBondContact O-N 3.45Å; R414-F417 WeakPolarHBondContact O-CB 3.32Å; R414-F417 PolarHBondContact O-N 2.77Å; I415-F417 VanDerWaalsContact C-N 3.31Å; I415-F417 PolarHBondContact O-N 2.64Å; F417-N420 PolarHBondContact O-N 3.04Å; F417-S421 PolarHBondContact O-N 2.61Å; F417-S421 PolarHBondContact O-OG 3.34Å
418M88.8Confident78.3Confident0 Ų036 Ų360%019%0.186CC..Hα-helixtrans-63.3-46.6177.1-177.8-71.9-64.500111.4L244 L357 C368 L371 L372 R414 I415 S416 N420 S421 A422L244-M418 HydrophobicContact CD1-CB 4.44Å; L244-M418 HydrophobicContact CD2-CB 4.06Å; L244-M418 HydrophobicContact CD2-CG 3.96Å; L357-M418 HydrophobicContact CD1-CE 3.19Å; C368-M418 HydrophobicContact CB-CE 4.36Å; C368-M418 HydrophobicContact CB-CG 4.34Å; C368-M418 WeakPolarHBondContact O-CG 3.48Å; L371-M418 HydrophobicContact CB-CE 4.17Å; L371-M418 HydrophobicContact CB-SD 4.22Å; L371-M418 HydrophobicContact CD2-CE 4.07Å; L372-M418 HydrophobicContact CB-CG 4.02Å; L372-M418 HydrophobicContact CB-SD 4.08Å; R414-M418 WeakPolarHBondContact O-CB 3.29Å; R414-M418 PolarHBondContact O-N 3.36Å; I415-M418 PolarHBondContact O-N 2.91Å; S416-M418 PolarHBondContact O-N 3.44Å; M418-N420 VanDerWaalsContact C-N 3.3Å; M418-N420 PolarHBondContact O-N 3.3Å; M418-S421 CarbonylContact O-C 3.21Å; M418-S421 WeakPolarHBondContact O-CA 3.38Å; M418-S421 WeakPolarHBondContact O-CB 3.36Å; M418-S421 PolarHBondContact O-N 3.48Å; M418-A422 WeakPolarHBondContact O-CB 3.42Å; M418-A422 PolarHBondContact O-N 3.08Å; M418-A422 HydrophobicContact SD-CB 4.17Å
419I86.5Confident77.7Confident1 Ų133.6 Ų33.61%0.00517%0.166CC..Hα-helixtrans-55.5-47.1176.4-72.5167.6000110.1L397 A400 T401 I415 S416 S421 A422 R423L397-I419 HydrophobicContact CB-CG2 4.11Å; L397-I419 HydrophobicContact CD2-CG1 3.94Å; A400-I419 HydrophobicContact CB-CD1 4.14Å; T401-I419 HydrophobicContact CG2-CD1 3.81Å; T401-I419 HydrophobicContact CG2-CG2 4.07Å; I415-I419 HydrophobicContact CG2-CD1 3.57Å; I415-I419 HydrophobicContact CG2-CG1 4.2Å; I415-I419 WeakPolarHBondContact O-CB 3.2Å; I415-I419 VanDerWaalsContact O-CG1 3.25Å; I415-I419 WeakPolarHBondContact O-CG1 3.25Å; I415-I419 PolarHBondContact O-N 2.95Å; S416-I419 PolarHBondContact O-N 3.34Å; I419-S421 VanDerWaalsContact C-N 3.3Å; I419-S421 PolarHBondContact O-N 2.64Å; I419-A422 PolarHBondContact O-N 3.36Å; I419-R423 HydrophobicContact CG2-CG 4.28Å; I419-R423 WeakPolarHBondContact O-CB 3.36Å; I419-R423 WeakPolarHBondContact O-CG 3.29Å; I419-R423 PolarHBondContact O-N 3.39Å
420N81.5Confident76.7Confident42 Ų4228.6 Ų28.623%0.22515%0.148CC..Hα-helixtrans-65.3-34.2178.4-70.6-22.9000112R248 S416 F417 M418 R424R248-N420 VanDerWaalsContact NH2-CB 3.34Å; S416-N420 WeakPolarHBondContact O-CB 3.41Å; S416-N420 VanDerWaalsContact O-CG 3.23Å; S416-N420 PolarHBondContact O-N 3.02Å; S416-N420 PolarHBondContact O-ND2 3.4Å; F417-N420 PolarHBondContact O-N 3.04Å; M418-N420 VanDerWaalsContact C-N 3.3Å; M418-N420 PolarHBondContact O-N 3.3Å; N420-R424 PolarHBondContact O-N 2.78Å
421S80.5Confident75.6Confident0 Ų026.1 Ų26.10%014%0.144CC..Hα-helixtrans-68.4-41.3174.6-59.90000111.2R248 Q251 F417 M418 I419 R424R248-S421 PolarHBondContact NE-OG 3.18Å; R248-S421 PolarHBondContact NH2-OG 3.37Å; Q251-S421 PolarHBondContact NE2-O 3.24Å; F417-S421 PolarHBondContact O-N 2.61Å; F417-S421 PolarHBondContact O-OG 3.34Å; M418-S421 CarbonylContact O-C 3.21Å; M418-S421 WeakPolarHBondContact O-CA 3.38Å; M418-S421 WeakPolarHBondContact O-CB 3.36Å; M418-S421 PolarHBondContact O-N 3.48Å; I419-S421 VanDerWaalsContact C-N 3.3Å; I419-S421 PolarHBondContact O-N 2.64Å; S421-R424 WeakPolarHBondContact O-CB 3.5Å; S421-R424 PolarHBondContact O-N 2.97Å
422A82Confident73.7Confident0 Ų029.7 Ų29.70%017%0.171CC..Hα-helixtrans-72.5-43.8-178.200000111.9L372 A375 L397 M418 I419 R424 F425 L426L372-A422 HydrophobicContact CD1-CB 3.9Å; A375-A422 HydrophobicContact CB-CB 3.95Å; L397-A422 HydrophobicContact CD1-CB 4.03Å; M418-A422 WeakPolarHBondContact O-CB 3.42Å; M418-A422 PolarHBondContact O-N 3.08Å; M418-A422 HydrophobicContact SD-CB 4.17Å; I419-A422 PolarHBondContact O-N 3.36Å; A422-R424 PolarHBondContact O-N 2.94Å; A422-R424 VanDerWaalsContact O-N 3.15Å; A422-F425 PolarHBondContact O-N 2.67Å; A422-L426 PolarHBondContact O-N 3.34Å
423R77.6Confident71.6Confident48 Ų4835.8 Ų35.818%0.18120%0.197CC..Hα-helixtrans-51.8-36.6172.2-82.1-179.5174.1154.2-3.3111.4L397 D398 I419 F425 L426 M427L397-R423 HydrophobicContact CD1-CG 4.45Å; D398-R423 IonicContact OD1-CZ 2.68Å; D398-R423 IonicContact OD1-NE 2.93Å; D398-R423 PolarHBondContact OD1-NE 3.26Å; D398-R423 IonicContact OD1-NH2 3.79Å; D398-R423 PolarHBondContact OD1-NH2 3.09Å; I419-R423 HydrophobicContact CG2-CG 4.28Å; I419-R423 WeakPolarHBondContact O-CB 3.36Å; I419-R423 WeakPolarHBondContact O-CG 3.29Å; I419-R423 PolarHBondContact O-N 3.39Å; R423-F425 VanDerWaalsContact C-N 3.3Å; R423-F425 PolarHBondContact O-N 3.11Å; R423-L426 PolarHBondContact O-N 3.34Å; R423-M427 VanDerWaalsContact O-CB 3.29Å; R423-M427 WeakPolarHBondContact O-CB 3.27Å; R423-M427 WeakPolarHBondContact O-CG 3.48Å; R423-M427 PolarHBondContact O-N 3.1Å
424R68.3Low69.5Low46 Ų4637.1 Ų37.117%0.17420%0.202CC..Hα-helixtrans-61.6-34.9179.2-156.1172.2179.9-170.7-7.9113.3Q251 N420 S421 A422 F461Q251-R424 PolarHBondContact O-NH1 3.29Å; Q251-R424 VanDerWaalsContact O-NH1 3.14Å; Q251-R424 PolarHBondContact O-NH2 3.43Å; N420-R424 PolarHBondContact O-N 2.78Å; S421-R424 WeakPolarHBondContact O-CB 3.5Å; S421-R424 PolarHBondContact O-N 2.97Å; A422-R424 PolarHBondContact O-N 2.94Å; A422-R424 VanDerWaalsContact O-N 3.15Å; R424-F461 VanDerWaalsContact NH2-CG 3.31Å
425F66.2Low67.2Low3 Ų347.7 Ų47.71%0.01324%0.242CC..Hα-helixtrans-77.5-41.6172.2-69-60.7000112.5H247 L277 V278 L372 Q376 A379 A422 R423 S428 F429H247-F425 AromaticContact CE1-CE2 3.2Å; H247-F425 WeakPolarHBondContact CE1-CE2 3.3Å; H247-F425 AromaticContact CE1-CZ 3.41Å; H247-F425 VanDerWaalsContact CE1-CZ 3.41Å; H247-F425 WeakPolarHBondContact CE1-CZ 3.37Å; H247-F425 AromaticContact NE2-CE2 3.29Å; H247-F425 VanDerWaalsContact NE2-CE2 3.29Å; H247-F425 WeakPolarHBondContact NE2-CE2 3.41Å; H247-F425 AromaticContact NE2-CZ 3.44Å; H247-F425 WeakPolarHBondContact NE2-CZ 3.23Å; L277-F425 HydrophobicContact CB-CD1 3.97Å; L277-F425 HydrophobicContact CB-CE1 3.75Å; L277-F425 HydrophobicContact CD1-CD1 3.93Å; L277-F425 HydrophobicContact CD1-CE1 4.07Å; L277-F425 HydrophobicContact CD2-CD1 4.23Å; L277-F425 HydrophobicContact CG-CD1 4.3Å; L277-F425 HydrophobicContact CG-CE1 4.46Å; V278-F425 HydrophobicContact CG2-CE1 3.71Å; V278-F425 HydrophobicContact CG2-CZ 4.17Å; L372-F425 HydrophobicContact CD1-CD2 4.03Å; L372-F425 HydrophobicContact CD1-CE2 3.93Å; Q376-F425 HydrophobicContact CB-CD2 4.06Å; Q376-F425 HydrophobicContact CB-CE2 3.89Å; Q376-F425 HydrophobicContact CB-CZ 4.32Å; Q376-F425 HydrophobicContact CG-CD2 4.48Å; Q376-F425 HydrophobicContact CG-CE1 4.3Å; Q376-F425 HydrophobicContact CG-CE2 4Å; Q376-F425 HydrophobicContact CG-CZ 3.92Å; A379-F425 HydrophobicContact CB-CB 4.31Å; A422-F425 PolarHBondContact O-N 2.67Å; R423-F425 VanDerWaalsContact C-N 3.3Å; R423-F425 PolarHBondContact O-N 3.11Å; F425-S428 PolarHBondContact O-N 3.22Å; F425-S428 PolarHBondContact O-OG 3.48Å; F425-F429 WeakPolarHBondContact O-CB 3.5Å; F425-F429 PolarHBondContact O-N 3.37Å
426L71.9Confident64.8Low1 Ų151.9 Ų51.91%0.00527%0.269CS..Hα-helixtrans-68.6-38.9-177.8-61.4174.4000111A375 A390 L393 L397 A422 R423 S428 F429 V430A375-L426 HydrophobicContact CB-CD1 4.33Å; A375-L426 HydrophobicContact CB-CD2 4.02Å; A375-L426 HydrophobicContact CB-CG 4.08Å; A390-L426 HydrophobicContact CB-CD2 3.68Å; L393-L426 HydrophobicContact CB-CD1 4.33Å; L393-L426 HydrophobicContact CD2-CD1 3.99Å; L393-L426 HydrophobicContact CD2-CD2 4.19Å; L393-L426 HydrophobicContact CG-CD1 3.86Å; L397-L426 HydrophobicContact CD1-CD1 3.6Å; A422-L426 PolarHBondContact O-N 3.34Å; R423-L426 PolarHBondContact O-N 3.34Å; L426-S428 VanDerWaalsContact C-N 3.32Å; L426-S428 PolarHBondContact O-N 2.76Å; L426-F429 PolarHBondContact O-N 2.82Å; L426-V430 WeakPolarHBondContact O-CA 3.4Å; L426-V430 WeakPolarHBondContact O-CB 3.32Å; L426-V430 WeakPolarHBondContact O-CG2 3.43Å; L426-V430 PolarHBondContact O-N 3.21Å
427M64.9Low62.8Low98 Ų9852.3 Ų52.348%0.48327%0.267SS..Hα-helixtrans-62.6-38.6176.3-71.9-177.293.200111.4R423 F429 A431R423-M427 VanDerWaalsContact O-CB 3.29Å; R423-M427 WeakPolarHBondContact O-CB 3.27Å; R423-M427 WeakPolarHBondContact O-CG 3.48Å; R423-M427 PolarHBondContact O-N 3.1Å; M427-F429 VanDerWaalsContact C-N 3.28Å; M427-F429 PolarHBondContact O-N 2.79Å; M427-A431 WeakPolarHBondContact O-CA 3.25Å; M427-A431 WeakPolarHBondContact O-CB 2.73Å; M427-A431 PolarHBondContact O-N 2.68Å
428S56.5Low60.5Low26 Ų2654.5 Ų54.518%0.18228%0.283CS..Hα-helixtrans-69.9-29177.869.80000113.6N280 F425 L426N280-S428 WeakPolarHBondContact OD1-CB 3.02Å; N280-S428 PolarHBondContact OD1-OG 3.27Å; F425-S428 PolarHBondContact O-N 3.22Å; F425-S428 PolarHBondContact O-OG 3.48Å; L426-S428 VanDerWaalsContact C-N 3.32Å; L426-S428 PolarHBondContact O-N 2.76Å
429F60.3Low58Low25 Ų2558.5 Ų58.511%0.1131%0.309CS..Hα-helixtrans-90.4-33.3-178.3-177.9-127.1000114A379 A386 R387 A390 F425 L426 M427A379-F429 HydrophobicContact CB-CB 3.89Å; A379-F429 HydrophobicContact CB-CD1 4.21Å; A379-F429 HydrophobicContact CB-CG 4.03Å; A386-F429 HydrophobicContact CB-CE1 4.24Å; A386-F429 HydrophobicContact CB-CZ 4.22Å; R387-F429 VanDerWaalsContact CA-CE1 3.41Å; R387-F429 HydrophobicContact CB-CE1 3.95Å; R387-F429 HydrophobicContact CB-CZ 3.84Å; R387-F429 HydrophobicContact CG-CE1 4.4Å; R387-F429 HydrophobicContact CG-CZ 4.45Å; A390-F429 HydrophobicContact CB-CD1 3.68Å; A390-F429 HydrophobicContact CB-CE1 3.85Å; F425-F429 WeakPolarHBondContact O-CB 3.5Å; F425-F429 PolarHBondContact O-N 3.37Å; L426-F429 PolarHBondContact O-N 2.82Å; M427-F429 VanDerWaalsContact C-N 3.28Å; M427-F429 PolarHBondContact O-N 2.79Å
430V57.3Low55.7Low43 Ų4362.6 Ų62.626%0.26133%0.327SS..Hα-helixtrans-93.7-26.9-177.3179.30000111.8A390 E391 L426 S432A390-V430 HydrophobicContact CB-CG2 3.86Å; E391-V430 HydrophobicContact CG-CG1 3.7Å; E391-V430 HydrophobicContact CG-CG2 4.26Å; L426-V430 WeakPolarHBondContact O-CA 3.4Å; L426-V430 WeakPolarHBondContact O-CB 3.32Å; L426-V430 WeakPolarHBondContact O-CG2 3.43Å; L426-V430 PolarHBondContact O-N 3.21Å; V430-S432 PolarHBondContact O-N 3.45Å
431A54.5Low53.5Low48 Ų4866.1 Ų66.140%0.39735%0.346SS..SBendtrans-59.4115.8178.400000110.6M427 L463M427-A431 WeakPolarHBondContact O-CA 3.25Å; M427-A431 WeakPolarHBondContact O-CB 2.73Å; M427-A431 PolarHBondContact O-N 2.68Å; A431-L463 HydrophobicContact CB-CD1 3.78Å
432S41.3Very low51.6Low105 Ų10573.2 Ų73.273%0.73437%0.373SS*.  trans-52.4140.1166.5600000109.7V430 E434V430-S432 PolarHBondContact O-N 3.45Å; S432-E434 PolarHBondContact O-N 3.14Å
433E38.3Very low49.2Very low164 Ų16483 Ų8377%0.76642%0.415SS*.  trans-1.7102.9170.8-68.8-179.1163.600114.1R435E433-R435 PolarHBondContact O-N 2.85Å
434E40.4Very low47.1Very low60 Ų6081.8 Ų81.828%0.2842%0.419SS..  trans-49.9111.7166.2-75.1-174.9153.700108.1S432 L463 S465 K466 N469S432-E434 PolarHBondContact O-N 3.14Å; E434-L463 WeakPolarHBondContact OE1-CB 3.47Å; E434-S465 WeakPolarHBondContact OE2-CA 3.47Å; E434-K466 PolarHBondContact OE2-N 3.39Å; E434-N469 PolarHBondContact OE2-ND2 3.19Å
435R36.6Very low45.7Very low227 Ų22782.6 Ų82.686%0.85743%0.426SS*.PPolyproline II helixtrans-60.9136.8168.3-68.8-176.6179.9-178.70.4107E433 L437E433-R435 PolarHBondContact O-N 2.85Å; R435-L437 PolarHBondContact O-N 3.08Å; R435-L437 VanDerWaalsContact O-N 3.16Å
436P36.8Very low44.1Very low90 Ų9085.5 Ų85.558%0.58446%0.457SS*.PPolyproline II helixtrans-50.6129176.418.7-29.8000108.9
437L42.2Very low42.1Very low57 Ų5796.1 Ų96.130%0.29850%0.497SS..PPolyproline II helixtrans-48.6135178.4-71.9162.7000108.6R435 F453 Y472 L473R435-L437 PolarHBondContact O-N 3.08Å; R435-L437 VanDerWaalsContact O-N 3.16Å; L437-F453 HydrophobicContact CD2-CZ 4.25Å; L437-Y472 HydrophobicContact CB-CE1 3.76Å; L437-Y472 WeakPolarHBondContact O-CE1 3.22Å; L437-Y472 PolarHBondContact O-OH 3.12Å; L437-L473 HydrophobicContact CD1-CD2 3.97Å
438P37.6Very low40.5Very low61 Ų6195.7 Ų95.740%0.39650%0.495SS..PPolyproline II helixtrans-67.3155176.224-31000112F440 Y472P438-F440 PolarHBondContact O-N 2.46Å; P438-Y472 PolarHBondContact O-OH 3.19Å
439P37.4Very low39.5Very low83 Ų8396.5 Ų96.554%0.53950%0.497SS..PPolyproline II helixtrans-64.4129.9-177.622.1-30.9000112.2Y472P439-Y472 WeakPolarHBondContact CA-OH 2.94Å
440F38.5Very low38.1Very low87 Ų8799 Ų9938%0.38252%0.522SS..PPolyproline II helixtrans-61.3132.3178.2-96.3-100.4000111.5T54 P438T54-F440 HydrophobicContact CG2-CD2 4.25Å; T54-F440 HydrophobicContact CG2-CE1 3.78Å; T54-F440 HydrophobicContact CG2-CE2 3.41Å; T54-F440 VanDerWaalsContact CG2-CE2 3.41Å; T54-F440 HydrophobicContact CG2-CZ 3.13Å; P438-F440 PolarHBondContact O-N 2.46Å
441N33.5Very low36.8Very low116 Ų116107.4 Ų107.462%0.6255%0.549SS*.  trans-118.3112173.3-156.2-8.9000110.6F443 G444N441-F443 VanDerWaalsContact C-N 3.33Å; N441-F443 PolarHBondContact O-N 3.14Å; N441-G444 PolarHBondContact O-N 3.16Å; N441-G444 VanDerWaalsContact O-N 3.14Å
442W41.3Very low35.9Very low150 Ų150110.4 Ų110.457%0.56856%0.555SS**G310 helixtrans-61-31.7-167-105.5-10.5000115I445 V480W442-I445 VanDerWaalsContact O-CD1 3.25Å; W442-I445 WeakPolarHBondContact O-CD1 3.38Å; W442-I445 WeakPolarHBondContact O-CG1 2.92Å; W442-V480 HydrophobicContact CH2-CG1 4.12Å; W442-V480 WeakPolarHBondContact CH2-O 3.13Å; W442-V480 HydrophobicContact CZ2-CB 4.24Å; W442-V480 HydrophobicContact CZ2-CG1 3.26Å; W442-V480 WeakPolarHBondContact CZ2-O 3.39Å
443F32.6Very low35.5Very low204 Ų204109.9 Ų109.990%0.89554%0.539SS*.G310 helixtrans-90.6-1.3-178.9-66.5-74.4000113.8N441N441-F443 VanDerWaalsContact C-N 3.33Å; N441-F443 PolarHBondContact O-N 3.14Å
444G32.8Very low35.1Very low24 Ų24107.1 Ų107.125%0.24754%0.536CS..G310 helixtrans-106.22.4-179.300000115.5N441 G446 R447 M448N441-G444 PolarHBondContact O-N 3.16Å; N441-G444 VanDerWaalsContact O-N 3.14Å; G444-G446 PolarHBondContact O-N 3.49Å; G444-R447 PolarHBondContact O-N 3.23Å; G444-M448 PolarHBondContact O-N 3.21Å
445I40Very low34.7Very low62 Ų62110.7 Ų110.732%0.31856%0.561SS.*THydrogen-bonded Turntrans-52.6-36.9-166.5-66.7170.2000113.1W442 L449W442-I445 VanDerWaalsContact O-CD1 3.25Å; W442-I445 WeakPolarHBondContact O-CD1 3.38Å; W442-I445 WeakPolarHBondContact O-CG1 2.92Å; I445-L449 HydrophobicContact CG2-CD1 4.42Å
446G32.2Very low34.8Very low65 Ų65103.5 Ų103.567%0.6754%0.543SS*.THydrogen-bonded Turntrans-80.9-34177.600000115G444G444-G446 PolarHBondContact O-N 3.49Å
447R30Very low35Very low223 Ų223101.1 Ų101.184%0.84253%0.528SS*.THydrogen-bonded Turntrans-97.1-30.3-168.6-68.5-170.3-159-161.74.9114.4G444G444-R447 PolarHBondContact O-N 3.23Å
448M29.9Very low35Very low90 Ų90101 Ų10144%0.44353%0.526SS..THydrogen-bonded Turntrans-88.7-32.9-177.6-138.9-176.779.600112.3G444 A450 R451 Q452G444-M448 PolarHBondContact O-N 3.21Å; M448-A450 VanDerWaalsContact C-N 3.35Å; M448-A450 PolarHBondContact O-N 2.81Å; M448-R451 CarbonylContact O-C 3.53Å; M448-R451 WeakPolarHBondContact O-CA 3.36Å; M448-R451 PolarHBondContact O-N 3.33Å; M448-Q452 PolarHBondContact O-N 3Å
449L35.9Very low35.2Very low42 Ų42101.5 Ų101.522%0.2253%0.526CS..Hα-helixtrans-70.2-30.9177.6-68.5176.8000112.5N53 I445 R451 F453N53-L449 HydrophobicContact CB-CD1 3.88Å; N53-L449 WeakPolarHBondContact ND2-CD1 3.24Å; I445-L449 HydrophobicContact CG2-CD1 4.42Å; L449-R451 PolarHBondContact O-N 3.01Å; L449-R451 VanDerWaalsContact O-N 3.15Å; L449-F453 HydrophobicContact CD2-CD2 4.04Å; L449-F453 PolarHBondContact O-N 3.35Å
450A32Very low35.3Very low77 Ų77102.1 Ų102.164%0.63652%0.521SS*.Hα-helixtrans-62.6-16.7167.600000113.6M448M448-A450 VanDerWaalsContact C-N 3.35Å; M448-A450 PolarHBondContact O-N 2.81Å
451R29.9Very low35.5Very low221 Ų22199.8 Ų99.883%0.83451%0.511SS*.Hα-helixtrans-110.3-19.2-175.3-73.8-172.2174.1-173.7-1.7115.4M448 L449M448-R451 CarbonylContact O-C 3.53Å; M448-R451 WeakPolarHBondContact O-CA 3.36Å; M448-R451 PolarHBondContact O-N 3.33Å; L449-R451 PolarHBondContact O-N 3.01Å; L449-R451 VanDerWaalsContact O-N 3.15Å
452Q34.7Very low35.8Very low111 Ų11197 Ų9752%0.51950%0.499SS..Hα-helixtrans-122-14.8-176.6-77.2-170.5-10.800115.9M448M448-Q452 PolarHBondContact O-N 3Å
453F33.7Very low35.9Very low94 Ų9492 Ų9241%0.41248%0.483SS..SBendtrans-124.698.7162.1-68.4-79.8000105.5L437 L449 T455 V456L437-F453 HydrophobicContact CD2-CZ 4.25Å; L449-F453 HydrophobicContact CD2-CD2 4.04Å; L449-F453 PolarHBondContact O-N 3.35Å; F453-T455 PolarHBondContact O-N 3.42Å; F453-T455 VanDerWaalsContact O-N 3.08Å; F453-V456 HydrophobicContact CB-CG2 4.49Å
454P29.2Very low36.8Very low106 Ų10683.3 Ų83.369%0.68845%0.446SS*.  trans-49.9128.7174.822.8-31.3000106.1V456P454-V456 PolarHBondContact O-N 3.15Å
455T32.9Very low37.8Very low134 Ų13482.7 Ų82.782%0.82244%0.438SS*.  trans-19.398.2179.443.40000109.4F453 S457F453-T455 PolarHBondContact O-N 3.42Å; F453-T455 VanDerWaalsContact O-N 3.08Å; T455-S457 VanDerWaalsContact C-N 3.34Å; T455-S457 PolarHBondContact O-N 2.75Å
456V37.8Very low38.8Very low76 Ų7683.4 Ų83.446%0.46144%0.438SS..  trans-59.7110.8177.9-179.50000102.8F453 P454 E458 H460F453-V456 HydrophobicContact CB-CG2 4.49Å; P454-V456 PolarHBondContact O-N 3.15Å; V456-E458 PolarHBondContact O-N 3.22Å; V456-H460 HydrophobicContact CG1-CB 3.74Å; V456-H460 WeakPolarHBondContact CG1-O 3.36Å
457S41.6Very low40.3Very low40 Ų4082 Ų8228%0.2842%0.418SS..  trans-55144.2179.1114.40000105.8T455 D459 H460T455-S457 VanDerWaalsContact C-N 3.34Å; T455-S457 PolarHBondContact O-N 2.75Å; S457-D459 PolarHBondContact O-N 2.61Å; S457-D459 WeakPolarHBondContact OG-CB 3.37Å; S457-D459 PolarHBondContact OG-N 3.07Å; S457-D459 VanDerWaalsContact OG-N 3.13Å; S457-D459 PolarHBondContact OG-OD2 3.25Å; S457-H460 WeakPolarHBondContact CB-ND1 3.4Å; S457-H460 WeakPolarHBondContact O-CA 3.39Å; S457-H460 PolarHBondContact O-N 3.43Å; S457-H460 VanDerWaalsContact O-O 3.11Å; S457-H460 PolarHBondContact OG-ND1 3.26Å
458E42.6Very low42Very low55 Ų5578.5 Ų78.526%0.25741%0.411SS..THydrogen-bonded Turntrans-57.2-13.4178.8-69.5178.5-174.500112.6P59 K196 V456P59-E458 HydrophobicContact CG-CG 4.33Å; K196-E458 HydrophobicContact CD-CB 4.37Å; K196-E458 WeakPolarHBondContact CD-OE2 3.42Å; K196-E458 WeakPolarHBondContact CE-OE2 3.28Å; K196-E458 IonicContact NZ-OE1 3.5Å; K196-E458 IonicContact NZ-OE2 3.93Å; K196-E458 PolarHBondContact NZ-OE2 3.47Å; V456-E458 PolarHBondContact O-N 3.22Å
459D40.4Very low43.9Very low72 Ų7275 Ų7539%0.38539%0.394SS..THydrogen-bonded Turntrans-85.4-18.9174.7-39.2-61000113.2S457S457-D459 PolarHBondContact O-N 2.61Å; S457-D459 WeakPolarHBondContact OG-CB 3.37Å; S457-D459 PolarHBondContact OG-N 3.07Å; S457-D459 VanDerWaalsContact OG-N 3.13Å; S457-D459 PolarHBondContact OG-OD2 3.25Å
460H39.1Very low46Very low95 Ų9573.1 Ų73.144%0.4438%0.384SS..PPolyproline II helixtrans-95.2120.4175.8-64.878.7000108.7V456 S457V456-H460 HydrophobicContact CG1-CB 3.74Å; V456-H460 WeakPolarHBondContact CG1-O 3.36Å; S457-H460 WeakPolarHBondContact CB-ND1 3.4Å; S457-H460 WeakPolarHBondContact O-CA 3.39Å; S457-H460 PolarHBondContact O-N 3.43Å; S457-H460 VanDerWaalsContact O-O 3.11Å; S457-H460 PolarHBondContact OG-ND1 3.26Å
461F43Very low48.2Very low38 Ų3872.4 Ų72.417%0.16737%0.373CS..PPolyproline II helixtrans-103.7130176.1-154.2-96.8000107.4I56 L57 P58 Y252 R424I56-F461 VanDerWaalsContact C-CE1 3.47Å; I56-F461 HydrophobicContact CB-CD1 3.8Å; I56-F461 HydrophobicContact CB-CE1 3.3Å; I56-F461 HydrophobicContact CB-CZ 3.91Å; I56-F461 HydrophobicContact CD1-CE1 3.37Å; I56-F461 HydrophobicContact CD1-CZ 3.77Å; I56-F461 HydrophobicContact CG1-CE1 3.73Å; I56-F461 HydrophobicContact CG1-CZ 4.05Å; I56-F461 HydrophobicContact CG2-CE1 4.41Å; I56-F461 VanDerWaalsContact O-CD1 3.29Å; I56-F461 WeakPolarHBondContact O-CD1 3.39Å; I56-F461 WeakPolarHBondContact O-CD2 3.49Å; I56-F461 WeakPolarHBondContact O-CE1 3.37Å; I56-F461 WeakPolarHBondContact O-CE2 3.23Å; I56-F461 WeakPolarHBondContact O-CG 3.2Å; I56-F461 WeakPolarHBondContact O-CZ 3.5Å; L57-F461 HydrophobicContact CD2-CZ 4.25Å; P58-F461 HydrophobicContact CG-CD2 3.83Å; P58-F461 HydrophobicContact CG-CE2 3.54Å; Y252-F461 HydrophobicContact CD1-CD2 4.43Å; Y252-F461 HydrophobicContact CD1-CE2 4.08Å; Y252-F461 HydrophobicContact CE1-CD2 4.25Å; Y252-F461 HydrophobicContact CE1-CE2 4.33Å; R424-F461 VanDerWaalsContact NH2-CG 3.31Å
462P40.5Very low50.4Low58 Ų5864.5 Ų64.538%0.37734%0.343SS..PPolyproline II helixtrans-59.5143.7172.5-1424.9000110I56 L464I56-P462 HydrophobicContact CG2-CB 4.29Å; I56-P462 WeakPolarHBondContact CG2-O 3.46Å; P462-L464 PolarHBondContact O-N 3.44Å
463L42.7Very low52.4Low46 Ų4659.5 Ų59.524%0.24132%0.32CS..PPolyproline II helixtrans-54.6137.1172.5-74162.4000110.2A431 E434 S465A431-L463 HydrophobicContact CB-CD1 3.78Å; E434-L463 WeakPolarHBondContact OE1-CB 3.47Å; L463-S465 PolarHBondContact O-N 2.66Å
464L51.5Low54.6Low21 Ų2155.1 Ų55.111%0.1130%0.301CS..  trans-61113.1168.3-86.7163.9000107.4I56 V278 N280 P462 K466 V493I56-L464 HydrophobicContact CD1-CD1 4.5Å; I56-L464 HydrophobicContact CD1-CD2 3.32Å; I56-L464 HydrophobicContact CD1-CG 3.83Å; I56-L464 HydrophobicContact CG1-CD2 4.1Å; I56-L464 HydrophobicContact CG2-CD2 4.37Å; V278-L464 VanDerWaalsContact O-CD1 3.31Å; V278-L464 WeakPolarHBondContact O-CD1 3.48Å; N280-L464 PolarHBondContact ND2-O 3.44Å; P462-L464 PolarHBondContact O-N 3.44Å; L464-K466 PolarHBondContact O-N 2.78Å; L464-V493 HydrophobicContact CD1-CG2 3.85Å; L464-V493 HydrophobicContact CD2-CG2 4.12Å
465S53.4Low56.8Low10 Ų1051.9 Ų51.97%0.0728%0.284CS..  trans-49.2139.8-177.562.80000111.3E434 L463 R490E434-S465 WeakPolarHBondContact OE2-CA 3.47Å; L463-S465 PolarHBondContact O-N 2.66Å; S465-R490 VanDerWaalsContact O-CD 3.29Å; S465-R490 WeakPolarHBondContact O-CD 3.45Å; S465-R490 PolarHBondContact O-NE 3.49Å
466K61.4Low58.6Low77 Ų7746.4 Ų46.434%0.33525%0.249SC..  trans-51.2150.4174.4-70.2-174.3179.4-176.70112.2E434 L464 E468 N469E434-K466 PolarHBondContact OE2-N 3.39Å; L464-K466 PolarHBondContact O-N 2.78Å; K466-E468 HydrophobicContact CB-CB 4.44Å; K466-E468 PolarHBondContact O-N 3.46Å; K466-E468 VanDerWaalsContact O-N 3.1Å; K466-N469 WeakPolarHBondContact O-CB 3.38Å; K466-N469 PolarHBondContact O-N 3.47Å
467P63.7Low60.4Low37 Ų3742.9 Ų42.924%0.2423%0.228CC..G310 helixtrans-55.7-28.7175.87.8-12.3000113.3N469 I470 R490 V502P467-N469 PolarHBondContact O-N 3Å; P467-N469 VanDerWaalsContact O-N 3.17Å; P467-I470 HydrophobicContact CB-CD1 4.48Å; P467-I470 WeakPolarHBondContact O-CB 3.45Å; P467-I470 VanDerWaalsContact O-CG1 3.23Å; P467-I470 WeakPolarHBondContact O-CG1 3.44Å; P467-I470 PolarHBondContact O-N 2.81Å; P467-I470 VanDerWaalsContact O-N 3.11Å; P467-R490 VanDerWaalsContact CD-NH2 3.33Å; P467-R490 VanDerWaalsContact CG-NH2 3.35Å; P467-V502 HydrophobicContact CB-CG1 3.57Å
468E66Low62.1Low148 Ų14841.5 Ų41.569%0.69222%0.217SC*.G310 helixtrans-59.4-21.7173.6-63.6164.9-155.700114.1K466 I470 P471K466-E468 HydrophobicContact CB-CB 4.44Å; K466-E468 PolarHBondContact O-N 3.46Å; K466-E468 VanDerWaalsContact O-N 3.1Å; E468-I470 VanDerWaalsContact C-N 3.35Å; E468-P471 WeakPolarHBondContact O-CD 3.44Å
469N70.3Confident63.4Low18 Ų1847.6 Ų47.610%0.09624%0.238CC..G310 helixtrans-84.3-8178.9-69.9-37.9000113.1E434 K466 P467 Y472 L473E434-N469 PolarHBondContact OE2-ND2 3.19Å; K466-N469 WeakPolarHBondContact O-CB 3.38Å; K466-N469 PolarHBondContact O-N 3.47Å; P467-N469 PolarHBondContact O-N 3Å; P467-N469 VanDerWaalsContact O-N 3.17Å; N469-Y472 WeakPolarHBondContact O-CB 3.24Å; N469-Y472 PolarHBondContact O-N 3.34Å; N469-Y472 VanDerWaalsContact O-N 3.12Å; N469-L473 WeakPolarHBondContact O-CG 3.48Å; N469-L473 PolarHBondContact O-N 3.2Å
470I79.3Confident64.6Low2 Ų245.7 Ų45.71%0.0123%0.229CC..Hα-helixtrans-57.9-48.1-179.4-65.8173.3000112.1P467 E468 Y472 L473 L474 L487 R490 V502 W503P467-I470 HydrophobicContact CB-CD1 4.48Å; P467-I470 WeakPolarHBondContact O-CB 3.45Å; P467-I470 VanDerWaalsContact O-CG1 3.23Å; P467-I470 WeakPolarHBondContact O-CG1 3.44Å; P467-I470 PolarHBondContact O-N 2.81Å; P467-I470 VanDerWaalsContact O-N 3.11Å; E468-I470 VanDerWaalsContact C-N 3.35Å; I470-Y472 PolarHBondContact O-N 3Å; I470-L473 PolarHBondContact O-N 3.28Å; I470-L474 VanDerWaalsContact O-CB 3.25Å; I470-L474 WeakPolarHBondContact O-CB 3.11Å; I470-L474 PolarHBondContact O-N 3.42Å; I470-L487 HydrophobicContact CG2-CD1 4.05Å; I470-R490 HydrophobicContact CD1-CG 3.84Å; I470-R490 HydrophobicContact CG1-CG 3.79Å; I470-V502 HydrophobicContact CD1-CG1 4.12Å; I470-W503 HydrophobicContact CD1-CB 3.81Å; I470-W503 HydrophobicContact CG2-CB 4.11Å
471P78.8Confident65.9Low61 Ų6141.5 Ų41.540%0.39621%0.212SC..Hα-helixtrans-55.8-39.1175.3-25.533.4000112.9E468 A475 S506E468-P471 WeakPolarHBondContact O-CD 3.44Å; P471-A475 VanDerWaalsContact O-CB 3.27Å; P471-A475 WeakPolarHBondContact O-CB 3.42Å; P471-A475 PolarHBondContact O-N 2.89Å; P471-S506 WeakPolarHBondContact CG-OG 3.22Å
472Y76Confident67Low55 Ų5541.4 Ų41.422%0.21622%0.215CC..Hα-helixtrans-68.7-48.7179.5173.7-95.8000112L437 P438 P439 N469 I470 L474 A475 N476L437-Y472 HydrophobicContact CB-CE1 3.76Å; L437-Y472 WeakPolarHBondContact O-CE1 3.22Å; L437-Y472 PolarHBondContact O-OH 3.12Å; P438-Y472 PolarHBondContact O-OH 3.19Å; P439-Y472 WeakPolarHBondContact CA-OH 2.94Å; N469-Y472 WeakPolarHBondContact O-CB 3.24Å; N469-Y472 PolarHBondContact O-N 3.34Å; N469-Y472 VanDerWaalsContact O-N 3.12Å; I470-Y472 PolarHBondContact O-N 3Å; Y472-L474 VanDerWaalsContact C-N 3.29Å; Y472-L474 PolarHBondContact O-N 3.25Å; Y472-A475 PolarHBondContact O-N 3.34Å; Y472-N476 WeakPolarHBondContact CE1-ND2 3.4Å; Y472-N476 PolarHBondContact O-N 3.18Å; Y472-N476 PolarHBondContact OH-ND2 3.16Å
473L75.4Confident68.3Low6 Ų638.6 Ų38.63%0.03120%0.197CC..Hα-helixtrans-62.1-38.3177-70.6174.8000111.9L437 N469 I470 S477 A486 L487L437-L473 HydrophobicContact CD1-CD2 3.97Å; N469-L473 WeakPolarHBondContact O-CG 3.48Å; N469-L473 PolarHBondContact O-N 3.2Å; I470-L473 PolarHBondContact O-N 3.28Å; L473-S477 WeakPolarHBondContact O-CB 3.39Å; L473-S477 PolarHBondContact O-N 3.4Å; L473-S477 PolarHBondContact O-OG 3.31Å; L473-A486 HydrophobicContact CD1-CB 4.06Å; L473-A486 HydrophobicContact CD2-CB 3.9Å; L473-L487 HydrophobicContact CB-CB 4.13Å; L473-L487 HydrophobicContact CB-CD1 4.06Å
474L80.7Confident69.6Low3 Ų337.1 Ų37.12%0.01619%0.191CC..Hα-helixtrans-67.9-46.5175.5-179.361.2000111.7I470 Y472 N476 S477 L478 L487 L507 A510 I526I470-L474 VanDerWaalsContact O-CB 3.25Å; I470-L474 WeakPolarHBondContact O-CB 3.11Å; I470-L474 PolarHBondContact O-N 3.42Å; Y472-L474 VanDerWaalsContact C-N 3.29Å; Y472-L474 PolarHBondContact O-N 3.25Å; L474-N476 PolarHBondContact O-N 2.77Å; L474-S477 WeakPolarHBondContact O-CB 2.93Å; L474-S477 PolarHBondContact O-N 3.27Å; L474-S477 VanDerWaalsContact O-N 3.09Å; L474-L478 HydrophobicContact CD1-CD1 4.32Å; L474-L478 HydrophobicContact CD1-CG 4.26Å; L474-L478 HydrophobicContact CG-CD1 4.02Å; L474-L478 HydrophobicContact CG-CG 4.43Å; L474-L478 WeakPolarHBondContact O-CB 3.26Å; L474-L478 VanDerWaalsContact O-CG 3.29Å; L474-L478 WeakPolarHBondContact O-CG 3.3Å; L474-L478 PolarHBondContact O-N 3.15Å; L474-L487 HydrophobicContact CB-CD2 4.23Å; L474-L487 HydrophobicContact CD1-CD2 4Å; L474-L507 HydrophobicContact CD2-CB 4.21Å; L474-A510 HydrophobicContact CD2-CB 3.45Å; L474-A510 VanDerWaalsContact CD2-CB 3.45Å; L474-A510 HydrophobicContact CG-CB 4.11Å; L474-I526 HydrophobicContact CD1-CG2 4.02Å
475A75.6Confident70.5Confident38 Ų3836.1 Ų36.131%0.31419%0.186SC..Hα-helixtrans-57.5-39.4176.400000111.9P471 Y472 R479P471-A475 VanDerWaalsContact O-CB 3.27Å; P471-A475 WeakPolarHBondContact O-CB 3.42Å; P471-A475 PolarHBondContact O-N 2.89Å; Y472-A475 PolarHBondContact O-N 3.34Å; A475-R479 WeakPolarHBondContact O-CG 3.39Å; A475-R479 PolarHBondContact O-N 2.67Å; A475-R479 VanDerWaalsContact O-N 3.11Å
476N71.2Confident71.3Confident18 Ų1836 Ų3610%0.09619%0.186CC..Hα-helixtrans-66.9-46173.4-76.5-16.7000112.3Y472 L474 L478 R479 V480Y472-N476 WeakPolarHBondContact CE1-ND2 3.4Å; Y472-N476 PolarHBondContact O-N 3.18Å; Y472-N476 PolarHBondContact OH-ND2 3.16Å; L474-N476 PolarHBondContact O-N 2.77Å; N476-L478 PolarHBondContact O-N 3.39Å; N476-R479 PolarHBondContact O-N 3.46Å; N476-R479 VanDerWaalsContact O-N 3.17Å; N476-V480 WeakPolarHBondContact O-CB 3.5Å; N476-V480 WeakPolarHBondContact O-CG2 3.49Å; N476-V480 PolarHBondContact O-N 3.45Å
477S75.7Confident72Confident3 Ų332.4 Ų32.42%0.02117%0.17CC..Hα-helixtrans-58.1-39.1177.7-59.80000111.6L473 L474 V480 G481 C482 A484L473-S477 WeakPolarHBondContact O-CB 3.39Å; L473-S477 PolarHBondContact O-N 3.4Å; L473-S477 PolarHBondContact O-OG 3.31Å; L474-S477 WeakPolarHBondContact O-CB 2.93Å; L474-S477 PolarHBondContact O-N 3.27Å; L474-S477 VanDerWaalsContact O-N 3.09Å; S477-V480 PolarHBondContact O-N 2.97Å; S477-G481 PolarHBondContact O-N 3.16Å; S477-C482 CarbonylContact C-O 3.52Å; S477-C482 WeakPolarHBondContact CA-O 3.32Å; S477-C482 WeakPolarHBondContact CB-O 3.35Å; S477-C482 PolarHBondContact O-N 3.07Å; S477-A484 PolarHBondContact OG-N 3.36Å
478L76.2Confident72.6Confident11 Ų1130.7 Ų30.76%0.05816%0.159CC..Hα-helixtrans-67.1-41.1176.1-71.4167.6000113.3L474 N476 V480 A510 L514 T522 W523 I526L474-L478 HydrophobicContact CD1-CD1 4.32Å; L474-L478 HydrophobicContact CD1-CG 4.26Å; L474-L478 HydrophobicContact CG-CD1 4.02Å; L474-L478 HydrophobicContact CG-CG 4.43Å; L474-L478 WeakPolarHBondContact O-CB 3.26Å; L474-L478 VanDerWaalsContact O-CG 3.29Å; L474-L478 WeakPolarHBondContact O-CG 3.3Å; L474-L478 PolarHBondContact O-N 3.15Å; N476-L478 PolarHBondContact O-N 3.39Å; L478-V480 VanDerWaalsContact C-N 3.31Å; L478-A510 HydrophobicContact CD1-CB 3.94Å; L478-L514 HydrophobicContact CD1-CD1 4.15Å; L478-L514 HydrophobicContact CD1-CD2 4.46Å; L478-L514 HydrophobicContact CD2-CD1 4.12Å; L478-T522 HydrophobicContact CD2-CG2 4.28Å; L478-W523 VanDerWaalsContact CD2-CA 3.45Å; L478-W523 HydrophobicContact CD2-CB 3.52Å; L478-W523 HydrophobicContact CD2-CG 4.16Å; L478-I526 HydrophobicContact CD2-CD1 3.89Å; L478-I526 HydrophobicContact CG-CD1 4.21Å
479R70Confident72.9Confident182 Ų18224 Ų2469%0.68713%0.128SC*.Hα-helixtrans-64.2-38.2176.1-75.1172.5178.3176.7-0.9112A475 N476A475-R479 WeakPolarHBondContact O-CG 3.39Å; A475-R479 PolarHBondContact O-N 2.67Å; A475-R479 VanDerWaalsContact O-N 3.11Å; N476-R479 PolarHBondContact O-N 3.46Å; N476-R479 VanDerWaalsContact O-N 3.17Å
480V66.7Low73.2Confident33 Ų3323.1 Ų23.120%0.212%0.124CC..Hα-helixtrans-83.7-30.1-174.9174.70000111.7W442 N476 S477 L478 C482W442-V480 HydrophobicContact CH2-CG1 4.12Å; W442-V480 WeakPolarHBondContact CH2-O 3.13Å; W442-V480 HydrophobicContact CZ2-CB 4.24Å; W442-V480 HydrophobicContact CZ2-CG1 3.26Å; W442-V480 WeakPolarHBondContact CZ2-O 3.39Å; N476-V480 WeakPolarHBondContact O-CB 3.5Å; N476-V480 WeakPolarHBondContact O-CG2 3.49Å; N476-V480 PolarHBondContact O-N 3.45Å; S477-V480 PolarHBondContact O-N 2.97Å; L478-V480 VanDerWaalsContact C-N 3.31Å; V480-C482 WeakPolarHBondContact CG1-SG 3.31Å
481G65.2Low73.1Confident7 Ų723.1 Ų23.17%0.07212%0.124CC..THydrogen-bonded Turntrans82.916.4-176.700000114.7S477S477-G481 PolarHBondContact O-N 3.16Å
482C67Low73Confident35 Ų3521 Ų2124%0.23611%0.109CC..SBendtrans-141.8156.6173.773.50000110.9I6 S477 V480I6-C482 HydrophobicContact CD1-CB 4.42Å; S477-C482 CarbonylContact C-O 3.52Å; S477-C482 WeakPolarHBondContact CA-O 3.32Å; S477-C482 WeakPolarHBondContact CB-O 3.35Å; S477-C482 PolarHBondContact O-N 3.07Å; V480-C482 WeakPolarHBondContact CG1-SG 3.31Å
483V67.5Low72.8Confident0 Ų018.9 Ų18.90%010%0.102CC..  trans-78.4132175.2-163.90000109.3V2 V7 L487 V488 I526 L530V2-V483 HydrophobicContact CG1-CB 4.38Å; V2-V483 HydrophobicContact CG1-CG2 3.2Å; V7-V483 HydrophobicContact CG2-CG2 4.4Å; V483-L487 HydrophobicContact CG1-CB 4.18Å; V483-L487 HydrophobicContact CG1-CD2 4.04Å; V483-L487 HydrophobicContact CG1-CG 4.29Å; V483-V488 HydrophobicContact CB-CG2 4.13Å; V483-V488 HydrophobicContact CG1-CG2 3.36Å; V483-I526 HydrophobicContact CG2-CG1 4.28Å; V483-I526 HydrophobicContact CG2-CG2 4.24Å; V483-L530 HydrophobicContact CG1-CD2 4.12Å
484A70.4Confident72.8Confident15 Ų1518.6 Ų18.612%0.12410%0.1CC..  trans-72137.7167.500000110.7T54 S477 A486 L487 V488T54-A484 HydrophobicContact CG2-CB 4.12Å; S477-A484 PolarHBondContact OG-N 3.36Å; A484-A486 PolarHBondContact O-N 3Å; A484-L487 HydrophobicContact CB-CB 4.33Å; A484-L487 WeakPolarHBondContact O-CB 2.84Å; A484-L487 PolarHBondContact O-N 3.32Å; A484-V488 PolarHBondContact O-N 3.07Å; A484-V488 VanDerWaalsContact O-N 3.16Å
485S70.1Confident72.6Confident0 Ų018.8 Ų18.80%010%0.102CC..Hα-helixtrans-56.7-34.2172.9168.50000112.3N10 D52 T54 S55 L487 V488 S489N10-S485 PolarHBondContact ND2-OG 3.19Å; N10-S485 PolarHBondContact OD1-O 3.1Å; N10-S485 PolarHBondContact OD1-OG 3.18Å; D52-S485 WeakPolarHBondContact OD2-CA 3.42Å; D52-S485 WeakPolarHBondContact OD2-CB 3.18Å; D52-S485 PolarHBondContact OD2-N 3.48Å; T54-S485 PolarHBondContact OG1-N 2.94Å; S55-S485 WeakPolarHBondContact CA-OG 3.28Å; S55-S485 VanDerWaalsContact CB-CB 3.47Å; S55-S485 WeakPolarHBondContact CB-OG 3.07Å; S485-L487 VanDerWaalsContact C-N 3.3Å; S485-L487 PolarHBondContact O-N 3.12Å; S485-V488 PolarHBondContact O-N 3.38Å; S485-S489 VanDerWaalsContact O-CB 3.24Å; S485-S489 WeakPolarHBondContact O-CB 3.45Å; S485-S489 PolarHBondContact O-N 2.73Å; S485-S489 PolarHBondContact O-OG 2.84Å
486A69.7Low72.3Confident8 Ų818.6 Ų18.67%0.0669%0.094CC..Hα-helixtrans-54.6-44.8171.500000112.7T54 L473 A484 R490T54-A486 WeakPolarHBondContact O-CB 3.38Å; T54-A486 PolarHBondContact OG1-N 2.97Å; L473-A486 HydrophobicContact CD1-CB 4.06Å; L473-A486 HydrophobicContact CD2-CB 3.9Å; A484-A486 PolarHBondContact O-N 3Å; A486-R490 WeakPolarHBondContact O-CB 3.2Å; A486-R490 PolarHBondContact O-N 3.27Å
487L76.2Confident72.1Confident1 Ų119.8 Ų19.81%0.00510%0.1CC..Hα-helixtrans-65.9-47.3179.8-179.358.6000110.6I470 L473 L474 V483 A484 S485 R490 I491I470-L487 HydrophobicContact CG2-CD1 4.05Å; L473-L487 HydrophobicContact CB-CB 4.13Å; L473-L487 HydrophobicContact CB-CD1 4.06Å; L474-L487 HydrophobicContact CB-CD2 4.23Å; L474-L487 HydrophobicContact CD1-CD2 4Å; V483-L487 HydrophobicContact CG1-CB 4.18Å; V483-L487 HydrophobicContact CG1-CD2 4.04Å; V483-L487 HydrophobicContact CG1-CG 4.29Å; A484-L487 HydrophobicContact CB-CB 4.33Å; A484-L487 WeakPolarHBondContact O-CB 2.84Å; A484-L487 PolarHBondContact O-N 3.32Å; S485-L487 VanDerWaalsContact C-N 3.3Å; S485-L487 PolarHBondContact O-N 3.12Å; L487-R490 PolarHBondContact O-N 3.06Å; L487-I491 HydrophobicContact CD1-CD1 3.8Å; L487-I491 HydrophobicContact CD1-CG1 4.28Å; L487-I491 HydrophobicContact CG-CD1 3.86Å; L487-I491 WeakPolarHBondContact O-CG1 3.27Å; L487-I491 PolarHBondContact O-N 3.49Å
488V76.8Confident71.9Confident0 Ų022.6 Ų22.60%012%0.124CC..Hα-helixtrans-62.2-46.8178.3-171.20000111V7 N10 V483 A484 S485 R490 I491 I492 L530 V533V7-V488 HydrophobicContact CG1-CG1 4.29Å; V7-V488 HydrophobicContact CG2-CG2 4.11Å; N10-V488 HydrophobicContact CB-CB 3.83Å; N10-V488 HydrophobicContact CB-CG1 3.49Å; N10-V488 VanDerWaalsContact CB-CG1 3.49Å; V483-V488 HydrophobicContact CB-CG2 4.13Å; V483-V488 HydrophobicContact CG1-CG2 3.36Å; A484-V488 PolarHBondContact O-N 3.07Å; A484-V488 VanDerWaalsContact O-N 3.16Å; S485-V488 PolarHBondContact O-N 3.38Å; V488-R490 PolarHBondContact O-N 3.31Å; V488-I491 PolarHBondContact O-N 3.49Å; V488-I491 VanDerWaalsContact O-N 3.16Å; V488-I492 HydrophobicContact CG1-CD1 3.88Å; V488-I492 HydrophobicContact CG1-CG1 4.31Å; V488-I492 WeakPolarHBondContact O-CB 3.34Å; V488-I492 WeakPolarHBondContact O-CG1 3.34Å; V488-I492 PolarHBondContact O-N 3.42Å; V488-L530 HydrophobicContact CG2-CD2 4.39Å; V488-V533 HydrophobicContact CG1-CG2 4.24Å
489S73Confident71.9Confident7 Ų724.9 Ų24.95%0.04913%0.134CC..Hα-helixtrans-55.9-41.9177.9-68.10000111.4N10 I56 S485 I492 V493N10-S489 PolarHBondContact OD1-OG 2.88Å; N10-S489 VanDerWaalsContact OD1-OG 3.12Å; I56-S489 WeakPolarHBondContact CG1-OG 3.32Å; S485-S489 VanDerWaalsContact O-CB 3.24Å; S485-S489 WeakPolarHBondContact O-CB 3.45Å; S485-S489 PolarHBondContact O-N 2.73Å; S485-S489 PolarHBondContact O-OG 2.84Å; S489-I492 WeakPolarHBondContact O-CB 3.46Å; S489-V493 VanDerWaalsContact O-CG2 3.29Å; S489-V493 WeakPolarHBondContact O-CG2 3.33Å; S489-V493 PolarHBondContact O-N 3.15Å; S489-V493 VanDerWaalsContact O-N 3.16Å
490R74.8Confident72.5Confident0 Ų016.5 Ų16.50%010%0.103CC..Hα-helixtrans-71.3-39.6178-173.160.6-169.4175.717.4112.6R279 S465 P467 I470 A486 L487 V488 V493 C494R279-R490 PolarHBondContact O-NH1 3.29Å; S465-R490 VanDerWaalsContact O-CD 3.29Å; S465-R490 WeakPolarHBondContact O-CD 3.45Å; S465-R490 PolarHBondContact O-NE 3.49Å; P467-R490 VanDerWaalsContact CD-NH2 3.33Å; P467-R490 VanDerWaalsContact CG-NH2 3.35Å; I470-R490 HydrophobicContact CD1-CG 3.84Å; I470-R490 HydrophobicContact CG1-CG 3.79Å; A486-R490 WeakPolarHBondContact O-CB 3.2Å; A486-R490 PolarHBondContact O-N 3.27Å; L487-R490 PolarHBondContact O-N 3.06Å; V488-R490 PolarHBondContact O-N 3.31Å; R490-V493 WeakPolarHBondContact O-CB 3.41Å; R490-V493 PolarHBondContact O-N 2.99Å; R490-C494 PolarHBondContact O-N 3.12Å; R490-C494 PolarHBondContact O-SG 3.18Å
491I78.9Confident73.2Confident2 Ų218 Ų181%0.0111%0.109CC..Hα-helixtrans-64.5-42.8176.9-71.6169.5000110.7L487 V488 V493 C494 T495 W503 L530 V533L487-I491 HydrophobicContact CD1-CD1 3.8Å; L487-I491 HydrophobicContact CD1-CG1 4.28Å; L487-I491 HydrophobicContact CG-CD1 3.86Å; L487-I491 WeakPolarHBondContact O-CG1 3.27Å; L487-I491 PolarHBondContact O-N 3.49Å; V488-I491 PolarHBondContact O-N 3.49Å; V488-I491 VanDerWaalsContact O-N 3.16Å; I491-V493 VanDerWaalsContact C-N 3.29Å; I491-V493 PolarHBondContact O-N 3.3Å; I491-C494 PolarHBondContact O-N 2.85Å; I491-T495 WeakPolarHBondContact O-CB 3.25Å; I491-T495 PolarHBondContact O-N 3.32Å; I491-T495 PolarHBondContact O-OG1 2.89Å; I491-W503 HydrophobicContact CD1-CD2 4.39Å; I491-W503 HydrophobicContact CD1-CE3 4.05Å; I491-W503 HydrophobicContact CG1-CB 4.06Å; I491-W503 HydrophobicContact CG1-CD2 4.12Å; I491-W503 HydrophobicContact CG1-CE3 4.28Å; I491-W503 HydrophobicContact CG1-CG 4.03Å; I491-W503 HydrophobicContact CG2-CD2 4.02Å; I491-W503 HydrophobicContact CG2-CE3 4.39Å; I491-W503 HydrophobicContact CG2-CG 4.4Å; I491-W503 HydrophobicContact CG2-CZ2 4.27Å; I491-L530 HydrophobicContact CD1-CB 4.4Å; I491-L530 HydrophobicContact CD1-CD1 3.42Å; I491-L530 VanDerWaalsContact CD1-CD1 3.42Å; I491-L530 HydrophobicContact CD1-CD2 3.37Å; I491-L530 HydrophobicContact CD1-CG 3.87Å; I491-V533 HydrophobicContact CG2-CG2 4.19Å
492I75.5Confident73.9Confident17 Ų1719.9 Ų19.99%0.08712%0.12CC..Hα-helixtrans-49.1-53.9170.1-80.6167.4000110.2N10 T11 M14 V488 S489 C494 T495 E496 V533N10-I492 HydrophobicContact CB-CD1 3.97Å; N10-I492 WeakPolarHBondContact O-CD1 3.21Å; T11-I492 HydrophobicContact CG2-CD1 3.99Å; T11-I492 HydrophobicContact CG2-CG1 4.34Å; M14-I492 HydrophobicContact CE-CB 3.92Å; M14-I492 HydrophobicContact CE-CG1 3.82Å; M14-I492 HydrophobicContact CE-CG2 3.28Å; M14-I492 HydrophobicContact SD-CD1 4.38Å; M14-I492 HydrophobicContact SD-CG1 3.95Å; M14-I492 HydrophobicContact SD-CG2 4.43Å; V488-I492 HydrophobicContact CG1-CD1 3.88Å; V488-I492 HydrophobicContact CG1-CG1 4.31Å; V488-I492 WeakPolarHBondContact O-CB 3.34Å; V488-I492 WeakPolarHBondContact O-CG1 3.34Å; V488-I492 PolarHBondContact O-N 3.42Å; S489-I492 WeakPolarHBondContact O-CB 3.46Å; I492-C494 PolarHBondContact O-N 3.46Å; I492-T495 PolarHBondContact O-N 3.43Å; I492-E496 WeakPolarHBondContact O-CB 3.43Å; I492-E496 WeakPolarHBondContact O-CG 3.44Å; I492-E496 PolarHBondContact O-N 3.33Å; I492-V533 HydrophobicContact CB-CG1 4.45Å; I492-V533 HydrophobicContact CG1-CG1 3.7Å; I492-V533 HydrophobicContact CG1-CG2 4.29Å
493V72.4Confident74.8Confident10 Ų1018.3 Ų18.36%0.06111%0.109CC..Hα-helixtrans-59.1-46.8-179.7168.50000111.5R279 L464 S489 R490 I491 E496 L497R279-V493 HydrophobicContact CB-CG1 3.61Å; R279-V493 HydrophobicContact CG-CG1 3.75Å; R279-V493 HydrophobicContact CG-CG2 4.39Å; L464-V493 HydrophobicContact CD1-CG2 3.85Å; L464-V493 HydrophobicContact CD2-CG2 4.12Å; S489-V493 VanDerWaalsContact O-CG2 3.29Å; S489-V493 WeakPolarHBondContact O-CG2 3.33Å; S489-V493 PolarHBondContact O-N 3.15Å; S489-V493 VanDerWaalsContact O-N 3.16Å; R490-V493 WeakPolarHBondContact O-CB 3.41Å; R490-V493 PolarHBondContact O-N 2.99Å; I491-V493 VanDerWaalsContact C-N 3.29Å; I491-V493 PolarHBondContact O-N 3.3Å; V493-E496 PolarHBondContact O-N 3.15Å; V493-L497 HydrophobicContact CG1-CD1 3.75Å; V493-L497 WeakPolarHBondContact O-CB 3.37Å; V493-L497 WeakPolarHBondContact O-CD1 3.42Å; V493-L497 WeakPolarHBondContact O-CG 3.47Å; V493-L497 PolarHBondContact O-N 2.7Å
494C75.7Confident75.7Confident0 Ų018.3 Ų18.30%011%0.109CC..Hα-helixtrans-62.5-45.1177.7-73.80000112.5R490 I491 I492 E496 L497 A498 Q499R490-C494 PolarHBondContact O-N 3.12Å; R490-C494 PolarHBondContact O-SG 3.18Å; I491-C494 PolarHBondContact O-N 2.85Å; I492-C494 PolarHBondContact O-N 3.46Å; C494-E496 PolarHBondContact O-N 3.42Å; C494-L497 CarbonylContact O-C 3.58Å; C494-L497 PolarHBondContact O-N 2.86Å; C494-A498 PolarHBondContact O-N 3.34Å; C494-Q499 HydrophobicContact CB-CB 4.42Å; C494-Q499 PolarHBondContact O-N 2.73Å
495T76.7Confident76.4Confident8 Ų818.8 Ų18.85%0.04911%0.111CC..Hα-helixtrans-60.3-44.4177-64.30000111.3I491 I492 L497 A498 F500 V533 D534I491-T495 WeakPolarHBondContact O-CB 3.25Å; I491-T495 PolarHBondContact O-N 3.32Å; I491-T495 PolarHBondContact O-OG1 2.89Å; I492-T495 PolarHBondContact O-N 3.43Å; T495-L497 PolarHBondContact O-N 3.05Å; T495-A498 PolarHBondContact O-N 2.84Å; T495-A498 VanDerWaalsContact O-N 3.08Å; T495-F500 HydrophobicContact CG2-CE1 3.62Å; T495-F500 HydrophobicContact CG2-CZ 3.99Å; T495-V533 HydrophobicContact CG2-CG1 4.16Å; T495-D534 HydrophobicContact CG2-CB 3.55Å
496E69.8Low77.1Confident34 Ų3419.3 Ų19.316%0.15912%0.115CC..Hα-helixtrans-69.1-17.3179.6-67.6175.2148.300114.2M14 S254 R279 I492 V493 C494M14-E496 VanDerWaalsContact CE-CD 3.47Å; M14-E496 HydrophobicContact CE-CG 3.65Å; M14-E496 WeakPolarHBondContact CE-OE1 3.36Å; S254-E496 WeakPolarHBondContact CB-OE1 3.06Å; S254-E496 PolarHBondContact OG-OE1 2.83Å; R279-E496 VanDerWaalsContact CZ-CB 3.4Å; R279-E496 IonicContact CZ-OE2 3.99Å; R279-E496 IonicContact NE-OE2 3.58Å; R279-E496 PolarHBondContact NE-OE2 3.33Å; R279-E496 VanDerWaalsContact NH1-CB 3.26Å; R279-E496 PolarHBondContact NH1-O 3.43Å; R279-E496 IonicContact NH1-OE2 3.57Å; R279-E496 IonicContact NH2-OE1 3.74Å; R279-E496 IonicContact NH2-OE2 2.71Å; R279-E496 PolarHBondContact NH2-OE2 2.75Å; I492-E496 WeakPolarHBondContact O-CB 3.43Å; I492-E496 WeakPolarHBondContact O-CG 3.44Å; I492-E496 PolarHBondContact O-N 3.33Å; V493-E496 PolarHBondContact O-N 3.15Å; C494-E496 PolarHBondContact O-N 3.42Å
497L65.5Low77.9Confident42 Ų4219 Ų1922%0.2211%0.112CC..THydrogen-bonded Turntrans-100.36.8176.1-66.9162.2000112.1R279 I281 V493 C494 T495 Q499R279-L497 HydrophobicContact CB-CD1 3.68Å; R279-L497 HydrophobicContact CG-CD1 4.21Å; I281-L497 HydrophobicContact CD1-CB 4.37Å; I281-L497 HydrophobicContact CD1-CD1 3.09Å; I281-L497 HydrophobicContact CD1-CG 4.19Å; I281-L497 HydrophobicContact CG1-CD1 3.64Å; V493-L497 HydrophobicContact CG1-CD1 3.75Å; V493-L497 WeakPolarHBondContact O-CB 3.37Å; V493-L497 WeakPolarHBondContact O-CD1 3.42Å; V493-L497 WeakPolarHBondContact O-CG 3.47Å; V493-L497 PolarHBondContact O-N 2.7Å; C494-L497 CarbonylContact O-C 3.58Å; C494-L497 PolarHBondContact O-N 2.86Å; T495-L497 PolarHBondContact O-N 3.05Å; L497-Q499 HydrophobicContact CB-CG 4.09Å; L497-Q499 PolarHBondContact O-N 3.21Å; L497-Q499 VanDerWaalsContact O-N 3.12Å
498A72.4Confident78.3Confident63 Ų6319 Ų1952%0.52111%0.113SC..THydrogen-bonded Turntrans5621-172.100000114.8C494 T495 F500C494-A498 PolarHBondContact O-N 3.34Å; T495-A498 PolarHBondContact O-N 2.84Å; T495-A498 VanDerWaalsContact O-N 3.08Å; A498-F500 VanDerWaalsContact C-CD2 3.5Å; A498-F500 VanDerWaalsContact C-N 3.27Å; A498-F500 VanDerWaalsContact CA-CE2 3.46Å; A498-F500 HydrophobicContact CB-CD2 4.4Å; A498-F500 HydrophobicContact CB-CE2 3.99Å; A498-F500 WeakPolarHBondContact O-CD2 3.17Å; A498-F500 PolarHBondContact O-N 3.29Å; A498-F500 VanDerWaalsContact O-N 3.17Å
499Q76.2Confident78.7Confident59 Ų5923 Ų2328%0.27613%0.134SC..  trans-90.156.8177.1-66.9-169.5-15.700111.6I281 C494 L497 D501 V502I281-Q499 HydrophobicContact CD1-CG 4.47Å; I281-Q499 VanDerWaalsContact CD1-NE2 3.27Å; C494-Q499 HydrophobicContact CB-CB 4.42Å; C494-Q499 PolarHBondContact O-N 2.73Å; L497-Q499 HydrophobicContact CB-CG 4.09Å; L497-Q499 PolarHBondContact O-N 3.21Å; L497-Q499 VanDerWaalsContact O-N 3.12Å; Q499-D501 VanDerWaalsContact C-N 3.31Å; Q499-D501 PolarHBondContact O-N 3.15Å; Q499-V502 HydrophobicContact CB-CG2 4.31Å
500F81.7Confident79.2Confident5 Ų523.3 Ų23.32%0.02214%0.137CC..Hα-helixtrans-67.4-33.8-177.5-61.4-89.7000112.4T495 A498 V502 W503 I504 E537 R541T495-F500 HydrophobicContact CG2-CE1 3.62Å; T495-F500 HydrophobicContact CG2-CZ 3.99Å; A498-F500 VanDerWaalsContact C-CD2 3.5Å; A498-F500 VanDerWaalsContact C-N 3.27Å; A498-F500 VanDerWaalsContact CA-CE2 3.46Å; A498-F500 HydrophobicContact CB-CD2 4.4Å; A498-F500 HydrophobicContact CB-CE2 3.99Å; A498-F500 WeakPolarHBondContact O-CD2 3.17Å; A498-F500 PolarHBondContact O-N 3.29Å; A498-F500 VanDerWaalsContact O-N 3.17Å; F500-V502 VanDerWaalsContact C-N 3.26Å; F500-V502 PolarHBondContact O-N 3.39Å; F500-W503 HydrophobicContact CD1-CZ2 4.48Å; F500-W503 PolarHBondContact O-N 3.4Å; F500-I504 HydrophobicContact CB-CD1 3.89Å; F500-I504 WeakPolarHBondContact O-CB 3.29Å; F500-I504 VanDerWaalsContact O-CG1 3.28Å; F500-I504 WeakPolarHBondContact O-CG1 3.2Å; F500-I504 PolarHBondContact O-N 3.37Å; F500-E537 HydrophobicContact CE1-CB 3.8Å; F500-E537 HydrophobicContact CZ-CB 3.64Å; F500-E537 HydrophobicContact CZ-CG 4.16Å; F500-R541 VanDerWaalsContact CD2-CD 3.47Å; F500-R541 VanDerWaalsContact CD2-NE 3.31Å; F500-R541 VanDerWaalsContact CD2-NH1 3.3Å
501D81.4Confident79.6Confident64 Ų6423.3 Ų23.334%0.34214%0.137SC..Hα-helixtrans-52.4-42.7-178.3-70.7-64.3000113.4Q499 W503 S505 L604Q499-D501 VanDerWaalsContact C-N 3.31Å; Q499-D501 PolarHBondContact O-N 3.15Å; D501-W503 PolarHBondContact O-N 2.91Å; D501-S505 WeakPolarHBondContact O-CB 3.05Å; D501-S505 PolarHBondContact O-N 2.81Å; D501-S505 PolarHBondContact O-OG 3.49Å; D501-L604 VanDerWaalsContact CG-CD2 3.49Å; D501-L604 VanDerWaalsContact OD1-CB 3.29Å; D501-L604 WeakPolarHBondContact OD1-CB 3.31Å; D501-L604 WeakPolarHBondContact OD1-CD1 3.41Å; D501-L604 WeakPolarHBondContact OD1-CD2 3.31Å; D501-L604 VanDerWaalsContact OD1-CG 3.27Å; D501-L604 WeakPolarHBondContact OD1-CG 3.44Å
502V80.9Confident79.7Confident47 Ų4727 Ų2729%0.28515%0.153SC..Hα-helixtrans-62.8-43.3-170.9-1760000111.7P467 I470 Q499 F500 S505 S506P467-V502 HydrophobicContact CB-CG1 3.57Å; I470-V502 HydrophobicContact CD1-CG1 4.12Å; Q499-V502 HydrophobicContact CB-CG2 4.31Å; F500-V502 VanDerWaalsContact C-N 3.26Å; F500-V502 PolarHBondContact O-N 3.39Å; V502-S505 PolarHBondContact O-OG 3.36Å; V502-S505 VanDerWaalsContact O-OG 3.11Å; V502-S506 PolarHBondContact O-OG 2.9Å
503W84.7Confident80Confident2 Ų236 Ų361%0.00819%0.186CC..Hα-helixtrans-92.6-32.4-176.975.4-94.6000112.5I470 I491 F500 D501 S506 L507 L530 C538I470-W503 HydrophobicContact CD1-CB 3.81Å; I470-W503 HydrophobicContact CG2-CB 4.11Å; I491-W503 HydrophobicContact CD1-CD2 4.39Å; I491-W503 HydrophobicContact CD1-CE3 4.05Å; I491-W503 HydrophobicContact CG1-CB 4.06Å; I491-W503 HydrophobicContact CG1-CD2 4.12Å; I491-W503 HydrophobicContact CG1-CE3 4.28Å; I491-W503 HydrophobicContact CG1-CG 4.03Å; I491-W503 HydrophobicContact CG2-CD2 4.02Å; I491-W503 HydrophobicContact CG2-CE3 4.39Å; I491-W503 HydrophobicContact CG2-CG 4.4Å; I491-W503 HydrophobicContact CG2-CZ2 4.27Å; F500-W503 HydrophobicContact CD1-CZ2 4.48Å; F500-W503 PolarHBondContact O-N 3.4Å; D501-W503 PolarHBondContact O-N 2.91Å; W503-S506 PolarHBondContact O-N 3.21Å; W503-L507 HydrophobicContact CE3-CD1 4.41Å; W503-L507 HydrophobicContact CZ3-CD1 4.06Å; W503-L507 VanDerWaalsContact O-CB 3.29Å; W503-L507 WeakPolarHBondContact O-CB 3.4Å; W503-L507 PolarHBondContact O-N 2.99Å; W503-L530 HydrophobicContact CZ3-CB 4.26Å; W503-C538 HydrophobicContact CH2-CB 4.3Å; W503-C538 HydrophobicContact CZ2-CB 4.15Å
504I87.5Confident80.4Confident0 Ų036.8 Ų36.80%019%0.19CC..Hα-helixtrans-66.5-43.5176.1-67.3-179.7000110.4F500 L507 V508 R541 L542 Y545F500-I504 HydrophobicContact CB-CD1 3.89Å; F500-I504 WeakPolarHBondContact O-CB 3.29Å; F500-I504 VanDerWaalsContact O-CG1 3.28Å; F500-I504 WeakPolarHBondContact O-CG1 3.2Å; F500-I504 PolarHBondContact O-N 3.37Å; I504-L507 WeakPolarHBondContact O-CB 3.39Å; I504-L507 PolarHBondContact O-N 2.97Å; I504-L507 VanDerWaalsContact O-N 3.15Å; I504-V508 WeakPolarHBondContact O-CG2 3.39Å; I504-V508 PolarHBondContact O-N 2.93Å; I504-R541 HydrophobicContact CD1-CB 3.68Å; I504-L542 HydrophobicContact CG2-CD1 3.89Å; I504-Y545 VanDerWaalsContact CG2-CB 3.45Å; I504-Y545 HydrophobicContact CG2-CD1 3.96Å; I504-Y545 HydrophobicContact CG2-CD2 3.88Å; I504-Y545 HydrophobicContact CG2-CG 3.48Å; I504-Y545 VanDerWaalsContact CG2-CG 3.48Å
505S84.9Confident80.6Confident26 Ų2642.5 Ų42.518%0.18222%0.221CC..Hα-helixtrans-58.6-49.2173.858.60000111.8D501 V502 L507 V508 D509 Y545D501-S505 WeakPolarHBondContact O-CB 3.05Å; D501-S505 PolarHBondContact O-N 2.81Å; D501-S505 PolarHBondContact O-OG 3.49Å; V502-S505 PolarHBondContact O-OG 3.36Å; V502-S505 VanDerWaalsContact O-OG 3.11Å; S505-L507 PolarHBondContact O-N 2.78Å; S505-V508 PolarHBondContact O-N 2.83Å; S505-V508 VanDerWaalsContact O-N 3.11Å; S505-D509 WeakPolarHBondContact O-CB 3.03Å; S505-D509 PolarHBondContact O-N 3.03Å; S505-Y545 WeakPolarHBondContact CB-OH 3.42Å
506S85Confident80.8Confident11 Ų1145.1 Ų45.18%0.07724%0.237CC..Hα-helixtrans-56.8-36.8175.5-62.80000112.4P471 V502 W503 A510P471-S506 WeakPolarHBondContact CG-OG 3.22Å; V502-S506 PolarHBondContact O-OG 2.9Å; W503-S506 PolarHBondContact O-N 3.21Å; S506-A510 WeakPolarHBondContact O-CB 3.25Å; S506-A510 PolarHBondContact O-N 3.41Å
507L86.3Confident81.2Confident2 Ų247.1 Ų47.11%0.0125%0.253CS..Hα-helixtrans-68.6-44177.5-176.5136.2000111.8L474 W503 I504 S505 A510 V511 W523 S527 L530 L542L474-L507 HydrophobicContact CD2-CB 4.21Å; W503-L507 HydrophobicContact CE3-CD1 4.41Å; W503-L507 HydrophobicContact CZ3-CD1 4.06Å; W503-L507 VanDerWaalsContact O-CB 3.29Å; W503-L507 WeakPolarHBondContact O-CB 3.4Å; W503-L507 PolarHBondContact O-N 2.99Å; I504-L507 WeakPolarHBondContact O-CB 3.39Å; I504-L507 PolarHBondContact O-N 2.97Å; I504-L507 VanDerWaalsContact O-N 3.15Å; S505-L507 PolarHBondContact O-N 2.78Å; L507-A510 PolarHBondContact O-N 3.19Å; L507-V511 PolarHBondContact O-N 3.18Å; L507-W523 HydrophobicContact CD2-CH2 4.12Å; L507-W523 HydrophobicContact CD2-CZ2 3.31Å; L507-W523 HydrophobicContact CG-CZ2 3.99Å; L507-W523 PolarHBondContact O-NE1 3.07Å; L507-S527 WeakPolarHBondContact CD1-OG 3.41Å; L507-S527 WeakPolarHBondContact CD2-OG 3.49Å; L507-L530 HydrophobicContact CD1-CD1 3.92Å; L507-L542 HydrophobicContact CD2-CD1 3.66Å; L507-L542 HydrophobicContact CD2-CD2 4.3Å
508V84.8Confident81.8Confident1 Ų152.1 Ų52.11%0.00627%0.269CS..Hα-helixtrans-68.8-40.9175.7174.60000111.7I504 S505 A510 V511 H512 L542 Y545 L546I504-V508 WeakPolarHBondContact O-CG2 3.39Å; I504-V508 PolarHBondContact O-N 2.93Å; S505-V508 PolarHBondContact O-N 2.83Å; S505-V508 VanDerWaalsContact O-N 3.11Å; V508-A510 PolarHBondContact O-N 3.49Å; V508-V511 WeakPolarHBondContact O-CG1 3.22Å; V508-V511 PolarHBondContact O-N 2.81Å; V508-H512 PolarHBondContact O-N 3.37Å; V508-H512 PolarHBondContact O-ND1 3.36Å; V508-L542 HydrophobicContact CG2-CD1 4.35Å; V508-Y545 HydrophobicContact CB-CD1 4.05Å; V508-Y545 HydrophobicContact CB-CE1 4.06Å; V508-Y545 HydrophobicContact CG1-CD1 4.37Å; V508-Y545 HydrophobicContact CG1-CE1 4.35Å; V508-Y545 HydrophobicContact CG2-CD1 3.66Å; V508-Y545 HydrophobicContact CG2-CE1 4.19Å; V508-L546 HydrophobicContact CG2-CD2 3.63Å
509D84.3Confident82.3Confident84 Ų8449.2 Ų49.245%0.44925%0.245SC..Hα-helixtrans-60.5-34.6174-76.8-13.1000112.3S505 H512S505-D509 WeakPolarHBondContact O-CB 3.03Å; S505-D509 PolarHBondContact O-N 3.03Å; D509-H512 WeakPolarHBondContact O-CB 3.49Å; D509-H512 PolarHBondContact O-N 2.92Å
510A83.5Confident82.6Confident13 Ų1346.4 Ų46.411%0.10723%0.232CC..Hα-helixtrans-66.3-38.7177.500000112.4L474 L478 S506 L507 V508 H512 R513 L514L474-A510 HydrophobicContact CD2-CB 3.45Å; L474-A510 VanDerWaalsContact CD2-CB 3.45Å; L474-A510 HydrophobicContact CG-CB 4.11Å; L478-A510 HydrophobicContact CD1-CB 3.94Å; S506-A510 WeakPolarHBondContact O-CB 3.25Å; S506-A510 PolarHBondContact O-N 3.41Å; L507-A510 PolarHBondContact O-N 3.19Å; V508-A510 PolarHBondContact O-N 3.49Å; A510-H512 VanDerWaalsContact C-N 3.28Å; A510-H512 PolarHBondContact O-N 2.85Å; A510-R513 PolarHBondContact O-N 3.04Å; A510-R513 VanDerWaalsContact O-N 3.12Å; A510-L514 WeakPolarHBondContact O-CG 3.41Å
511V83.7Confident82.7Confident0 Ų051.3 Ų51.30%025%0.254CS..Hα-helixtrans-65.5-33.3178.970.80000112.3L507 V508 R513 L514 W523 F550 F558 L567L507-V511 PolarHBondContact O-N 3.18Å; V508-V511 WeakPolarHBondContact O-CG1 3.22Å; V508-V511 PolarHBondContact O-N 2.81Å; V511-R513 PolarHBondContact O-N 3.02Å; V511-L514 PolarHBondContact O-N 3.1Å; V511-L514 VanDerWaalsContact O-N 3.13Å; V511-W523 HydrophobicContact CB-CD2 3.9Å; V511-W523 HydrophobicContact CB-CE3 4.35Å; V511-W523 HydrophobicContact CB-CG 4.35Å; V511-W523 HydrophobicContact CB-CH2 4.23Å; V511-W523 HydrophobicContact CB-CZ2 3.73Å; V511-W523 HydrophobicContact CG1-CH2 4.25Å; V511-W523 HydrophobicContact CG1-CZ2 3.88Å; V511-W523 HydrophobicContact CG2-CD2 4.02Å; V511-W523 HydrophobicContact CG2-CE3 4.05Å; V511-W523 HydrophobicContact CG2-CH2 4.43Å; V511-W523 HydrophobicContact CG2-CZ2 4.36Å; V511-W523 HydrophobicContact CG2-CZ3 4.28Å; V511-F550 HydrophobicContact CG1-CZ 4.36Å; V511-F558 HydrophobicContact CG1-CE1 4.46Å; V511-L567 HydrophobicContact CG2-CD2 4.35Å
512H80.7Confident82.7Confident78 Ų7848.5 Ų48.536%0.36124%0.238SC..Hα-helixtrans-58.5-33.1175.2-72.280.2000112.2V508 D509 A510 F558 R563V508-H512 PolarHBondContact O-N 3.37Å; V508-H512 PolarHBondContact O-ND1 3.36Å; D509-H512 WeakPolarHBondContact O-CB 3.49Å; D509-H512 PolarHBondContact O-N 2.92Å; A510-H512 VanDerWaalsContact C-N 3.28Å; A510-H512 PolarHBondContact O-N 2.85Å; H512-F558 AromaticContact CD2-CZ 3.55Å; H512-F558 AromaticContact CE1-CZ 3.96Å; H512-F558 AromaticContact NE2-CE2 3.96Å; H512-F558 AromaticContact NE2-CZ 3.44Å; H512-F558 WeakPolarHBondContact NE2-CZ 3.48Å; H512-R563 PolarHBondContact O-NH2 2.96Å
513R82Confident82.9Confident207 Ų20746.2 Ų46.278%0.78123%0.225SC*.THydrogen-bonded Turntrans-84.5-8.4-177.8-59.4178.3-170.4-1442.8113.8A510 V511A510-R513 PolarHBondContact O-N 3.04Å; A510-R513 VanDerWaalsContact O-N 3.12Å; V511-R513 PolarHBondContact O-N 3.02Å
514L81.2Confident83Confident26 Ų2646.4 Ų46.414%0.13623%0.226CC..  trans-92.8131.1-177.6-65.2171.1000111.7L478 A510 V511 I520 W523 R563L478-L514 HydrophobicContact CD1-CD1 4.15Å; L478-L514 HydrophobicContact CD1-CD2 4.46Å; L478-L514 HydrophobicContact CD2-CD1 4.12Å; A510-L514 WeakPolarHBondContact O-CG 3.41Å; V511-L514 PolarHBondContact O-N 3.1Å; V511-L514 VanDerWaalsContact O-N 3.13Å; L514-I520 HydrophobicContact CB-CG1 3.93Å; L514-W523 HydrophobicContact CD1-CB 3.56Å; L514-W523 HydrophobicContact CD1-CG 3.98Å; L514-R563 PolarHBondContact O-NE 2.94Å; L514-R563 PolarHBondContact O-NH2 3.32Å
515N79.6Confident82.8Confident121 Ų12147.4 Ų47.465%0.64723%0.232SC*.  trans-123.3-4.2-179.462.5-7000113.9P562N515-P562 WeakPolarHBondContact O-CG 3.43Å
516T80.5Confident82.7Confident63 Ų6346.1 Ų46.139%0.38722%0.223SC..SBendtrans-101.5140.6179.562.50000111.4W518 G519 I520T516-W518 PolarHBondContact O-N 2.91Å; T516-G519 PolarHBondContact O-N 3.25Å; T516-G519 PolarHBondContact OG1-N 2.71Å; T516-I520 VanDerWaalsContact O-CG1 3.27Å; T516-I520 WeakPolarHBondContact O-CG1 3.49Å; T516-I520 PolarHBondContact O-N 2.95Å
517P79Confident82.8Confident76 Ų7645.6 Ų45.649%0.49422%0.219SC..Hα-helixtrans-55-39.1174.8-18.523.2000112.4K521 P562P517-K521 WeakPolarHBondContact O-CB 3.4Å; P517-K521 PolarHBondContact O-N 3.3Å; P517-P562 HydrophobicContact CG-CB 3.73Å
518W78.2Confident82.8Confident146 Ų14645.7 Ų45.755%0.55322%0.219SC*.Hα-helixtrans-65.8-47.5177.9-179.186.6000112.1T516 I520 K521 T522T516-W518 PolarHBondContact O-N 2.91Å; W518-I520 VanDerWaalsContact C-N 3.31Å; W518-I520 PolarHBondContact O-N 3.5Å; W518-K521 PolarHBondContact O-N 3.17Å; W518-T522 WeakPolarHBondContact O-CB 3.34Å; W518-T522 PolarHBondContact O-N 3.17Å; W518-T522 PolarHBondContact O-OG1 2.97Å; W518-T522 VanDerWaalsContact O-OG1 3.1Å
519G81.3Confident82.7Confident3 Ų345.7 Ų45.73%0.03122%0.22CC..Hα-helixtrans-61.5-40.5178.500000112.2T516 T522 W523T516-G519 PolarHBondContact O-N 3.25Å; T516-G519 PolarHBondContact OG1-N 2.71Å; G519-T522 PolarHBondContact O-N 3.11Å; G519-W523 PolarHBondContact O-N 3.17Å
520I84.4Confident82.7Confident0 Ų041.8 Ų41.80%020%0.199CC..Hα-helixtrans-66.9-43.8177.5-62.1165.2000110.8L514 T516 W518 T522 W523 C524 R563 P566 L567L514-I520 HydrophobicContact CB-CG1 3.93Å; T516-I520 VanDerWaalsContact O-CG1 3.27Å; T516-I520 WeakPolarHBondContact O-CG1 3.49Å; T516-I520 PolarHBondContact O-N 2.95Å; W518-I520 VanDerWaalsContact C-N 3.31Å; W518-I520 PolarHBondContact O-N 3.5Å; I520-T522 VanDerWaalsContact C-N 3.34Å; I520-T522 PolarHBondContact O-N 3.26Å; I520-W523 WeakPolarHBondContact O-CB 3.35Å; I520-W523 PolarHBondContact O-N 2.72Å; I520-C524 PolarHBondContact O-N 3.49Å; I520-C524 PolarHBondContact O-SG 3.33Å; I520-R563 HydrophobicContact CD1-CB 3.89Å; I520-R563 HydrophobicContact CD1-CG 3.5Å; I520-R563 VanDerWaalsContact CD1-CG 3.5Å; I520-P566 HydrophobicContact CG2-CB 3.83Å; I520-P566 HydrophobicContact CG2-CG 4.47Å; I520-L567 HydrophobicContact CG2-CD2 4.12Å; I520-L567 HydrophobicContact CG2-CG 4.1Å
521K82.7Confident82.8Confident108 Ų10841.2 Ų41.247%0.4719%0.194SC..Hα-helixtrans-60.4-44.8175.1-177.8175-177.6173.40111.6P517 W518 W523 C524 D525P517-K521 WeakPolarHBondContact O-CB 3.4Å; P517-K521 PolarHBondContact O-N 3.3Å; W518-K521 PolarHBondContact O-N 3.17Å; K521-W523 VanDerWaalsContact C-N 3.3Å; K521-W523 PolarHBondContact O-N 3.03Å; K521-C524 WeakPolarHBondContact O-CB 3.46Å; K521-C524 PolarHBondContact O-N 2.99Å; K521-D525 PolarHBondContact O-N 3.28Å
522T80.8Confident82.8Confident4 Ų441.8 Ų41.83%0.02520%0.197CC..Hα-helixtrans-58.5-43.8174-64.90000111.1L478 W518 G519 I520 C524 D525 I526L478-T522 HydrophobicContact CD2-CG2 4.28Å; W518-T522 WeakPolarHBondContact O-CB 3.34Å; W518-T522 PolarHBondContact O-N 3.17Å; W518-T522 PolarHBondContact O-OG1 2.97Å; W518-T522 VanDerWaalsContact O-OG1 3.1Å; G519-T522 PolarHBondContact O-N 3.11Å; I520-T522 VanDerWaalsContact C-N 3.34Å; I520-T522 PolarHBondContact O-N 3.26Å; T522-C524 PolarHBondContact O-N 3.1Å; T522-D525 PolarHBondContact O-N 2.98Å; T522-I526 HydrophobicContact CG2-CD1 4.02Å; T522-I526 HydrophobicContact CG2-CG1 4.36Å; T522-I526 VanDerWaalsContact O-CG1 3.3Å; T522-I526 WeakPolarHBondContact O-CG1 3.07Å; T522-I526 PolarHBondContact O-N 2.84Å
523W86.9Confident82.8Confident0 Ų038.5 Ų38.50%018%0.182CC..Hα-helixtrans-58.8-46.1174.9179.492.5000111.8L478 L507 V511 L514 G519 I520 K521 D525 I526 S527 L546 L567 F570L478-W523 VanDerWaalsContact CD2-CA 3.45Å; L478-W523 HydrophobicContact CD2-CB 3.52Å; L478-W523 HydrophobicContact CD2-CG 4.16Å; L507-W523 HydrophobicContact CD2-CH2 4.12Å; L507-W523 HydrophobicContact CD2-CZ2 3.31Å; L507-W523 HydrophobicContact CG-CZ2 3.99Å; L507-W523 PolarHBondContact O-NE1 3.07Å; V511-W523 HydrophobicContact CB-CD2 3.9Å; V511-W523 HydrophobicContact CB-CE3 4.35Å; V511-W523 HydrophobicContact CB-CG 4.35Å; V511-W523 HydrophobicContact CB-CH2 4.23Å; V511-W523 HydrophobicContact CB-CZ2 3.73Å; V511-W523 HydrophobicContact CG1-CH2 4.25Å; V511-W523 HydrophobicContact CG1-CZ2 3.88Å; V511-W523 HydrophobicContact CG2-CD2 4.02Å; V511-W523 HydrophobicContact CG2-CE3 4.05Å; V511-W523 HydrophobicContact CG2-CH2 4.43Å; V511-W523 HydrophobicContact CG2-CZ2 4.36Å; V511-W523 HydrophobicContact CG2-CZ3 4.28Å; L514-W523 HydrophobicContact CD1-CB 3.56Å; L514-W523 HydrophobicContact CD1-CG 3.98Å; G519-W523 PolarHBondContact O-N 3.17Å; I520-W523 WeakPolarHBondContact O-CB 3.35Å; I520-W523 PolarHBondContact O-N 2.72Å; K521-W523 VanDerWaalsContact C-N 3.3Å; K521-W523 PolarHBondContact O-N 3.03Å; W523-D525 VanDerWaalsContact C-N 3.35Å; W523-D525 PolarHBondContact O-N 3.46Å; W523-I526 PolarHBondContact O-N 3.45Å; W523-S527 WeakPolarHBondContact O-CB 3.31Å; W523-S527 PolarHBondContact O-N 2.91Å; W523-S527 PolarHBondContact O-OG 3.44Å; W523-L546 HydrophobicContact CH2-CD2 4.34Å; W523-L567 HydrophobicContact CE3-CD2 4.36Å; W523-L567 HydrophobicContact CZ3-CD2 3.93Å; W523-F570 AromaticContact CH2-CE1 3.83Å; W523-F570 HydrophobicContact CH2-CE1 3.83Å; W523-F570 AromaticContact CH2-CZ 3.98Å; W523-F570 HydrophobicContact CH2-CZ 3.98Å; W523-F570 AromaticContact CZ3-CD1 3.9Å; W523-F570 HydrophobicContact CZ3-CD1 3.9Å; W523-F570 AromaticContact CZ3-CE1 3.61Å; W523-F570 HydrophobicContact CZ3-CE1 3.61Å; W523-F570 HydrophobicContact CZ3-CE2 4.31Å; W523-F570 HydrophobicContact CZ3-CG 4.37Å; W523-F570 AromaticContact CZ3-CZ 3.83Å; W523-F570 HydrophobicContact CZ3-CZ 3.83Å
524C85.8Confident82.8Confident6 Ų629.5 Ų29.54%0.04115%0.15CC..Hα-helixtrans-58-47.5177-61.60000111.4I520 K521 T522 I526 S527 I528 F570I520-C524 PolarHBondContact O-N 3.49Å; I520-C524 PolarHBondContact O-SG 3.33Å; K521-C524 WeakPolarHBondContact O-CB 3.46Å; K521-C524 PolarHBondContact O-N 2.99Å; T522-C524 PolarHBondContact O-N 3.1Å; C524-I526 PolarHBondContact O-N 3.38Å; C524-S527 PolarHBondContact O-N 3.32Å; C524-I528 WeakPolarHBondContact O-CG1 3.34Å; C524-I528 PolarHBondContact O-N 2.81Å; C524-F570 HydrophobicContact CB-CB 3.82Å; C524-F570 HydrophobicContact CB-CD2 3.72Å; C524-F570 HydrophobicContact CB-CG 3.98Å; C524-F570 VanDerWaalsContact SG-CB 3.51Å
525D82.6Confident82.7Confident20 Ų2029.1 Ų29.111%0.10715%0.149CC..Hα-helixtrans-60.5-43177.5-70.8-10.2000111.4V2 K521 T522 W523 A529V2-D525 HydrophobicContact CB-CB 4.09Å; V2-D525 HydrophobicContact CG2-CB 3.74Å; K521-D525 PolarHBondContact O-N 3.28Å; T522-D525 PolarHBondContact O-N 2.98Å; W523-D525 VanDerWaalsContact C-N 3.35Å; W523-D525 PolarHBondContact O-N 3.46Å; D525-A529 VanDerWaalsContact O-CB 3.28Å; D525-A529 WeakPolarHBondContact O-CB 3.48Å; D525-A529 PolarHBondContact O-N 3.2Å
526I83.9Confident82.8Confident0 Ų025.8 Ų25.80%014%0.135CC..Hα-helixtrans-64.1-49.2177.1-69179.9000109.9V2 L474 L478 V483 T522 W523 C524 I528 A529 L530V2-I526 HydrophobicContact CB-CG1 4.46Å; V2-I526 HydrophobicContact CG1-CG1 4.4Å; V2-I526 HydrophobicContact CG2-CB 4.29Å; V2-I526 HydrophobicContact CG2-CD1 4.36Å; V2-I526 HydrophobicContact CG2-CG1 3.31Å; L474-I526 HydrophobicContact CD1-CG2 4.02Å; L478-I526 HydrophobicContact CD2-CD1 3.89Å; L478-I526 HydrophobicContact CG-CD1 4.21Å; V483-I526 HydrophobicContact CG2-CG1 4.28Å; V483-I526 HydrophobicContact CG2-CG2 4.24Å; T522-I526 HydrophobicContact CG2-CD1 4.02Å; T522-I526 HydrophobicContact CG2-CG1 4.36Å; T522-I526 VanDerWaalsContact O-CG1 3.3Å; T522-I526 WeakPolarHBondContact O-CG1 3.07Å; T522-I526 PolarHBondContact O-N 2.84Å; W523-I526 PolarHBondContact O-N 3.45Å; C524-I526 PolarHBondContact O-N 3.38Å; I526-I528 PolarHBondContact O-N 3.04Å; I526-A529 PolarHBondContact O-N 3.29Å; I526-A529 VanDerWaalsContact O-N 3.17Å; I526-L530 HydrophobicContact CG2-CD1 3.6Å; I526-L530 HydrophobicContact CG2-CG 4.1Å; I526-L530 VanDerWaalsContact O-CG 3.26Å; I526-L530 WeakPolarHBondContact O-CG 3.1Å; I526-L530 PolarHBondContact O-N 3.49Å
527S87Confident83Confident0 Ų025.3 Ų25.30%013%0.128CC..Hα-helixtrans-57.8-48-178.5-60.20000111.6L507 W523 C524 L530 C531L507-S527 WeakPolarHBondContact CD1-OG 3.41Å; L507-S527 WeakPolarHBondContact CD2-OG 3.49Å; W523-S527 WeakPolarHBondContact O-CB 3.31Å; W523-S527 PolarHBondContact O-N 2.91Å; W523-S527 PolarHBondContact O-OG 3.44Å; C524-S527 PolarHBondContact O-N 3.32Å; S527-L530 PolarHBondContact O-N 2.79Å; S527-C531 PolarHBondContact O-N 3.46Å; S527-C531 VanDerWaalsContact O-N 3.08Å; S527-C531 PolarHBondContact O-SG 3.12Å
528I85Confident83.3Confident3 Ų321.7 Ų21.72%0.01510%0.104CC..Hα-helixtrans-62.1-45.7176.1-68170.8000110.5C524 I526 L530 C531 F532 F570 Q573C524-I528 WeakPolarHBondContact O-CG1 3.34Å; C524-I528 PolarHBondContact O-N 2.81Å; I526-I528 PolarHBondContact O-N 3.04Å; I528-L530 VanDerWaalsContact C-N 3.29Å; I528-L530 PolarHBondContact O-N 3.32Å; I528-C531 WeakPolarHBondContact O-CB 3.29Å; I528-C531 PolarHBondContact O-N 3.49Å; I528-C531 VanDerWaalsContact O-N 3.15Å; I528-F532 HydrophobicContact CG2-CE2 3.94Å; I528-F532 VanDerWaalsContact O-CD2 3.25Å; I528-F532 WeakPolarHBondContact O-CD2 3.45Å; I528-F570 HydrophobicContact CD1-CD2 3.89Å; I528-F570 HydrophobicContact CD1-CE2 4.39Å; I528-F570 HydrophobicContact CG1-CD2 3.81Å; I528-F570 HydrophobicContact CG1-CE2 3.79Å; I528-Q573 HydrophobicContact CD1-CB 3.67Å; I528-Q573 HydrophobicContact CD1-CG 4.42Å
529A83.2Confident83.7Confident2 Ų214.7 Ų14.72%0.0178%0.078CC..Hα-helixtrans-59.6-41.1179.300000111.7V2 I4 V7 D525 I526 C531 F532V2-A529 HydrophobicContact CG1-CB 4.01Å; I4-A529 HydrophobicContact CG1-CB 4.47Å; V7-A529 WeakPolarHBondContact CG1-O 3.33Å; V7-A529 HydrophobicContact CG2-CB 3.93Å; D525-A529 VanDerWaalsContact O-CB 3.28Å; D525-A529 WeakPolarHBondContact O-CB 3.48Å; D525-A529 PolarHBondContact O-N 3.2Å; I526-A529 PolarHBondContact O-N 3.29Å; I526-A529 VanDerWaalsContact O-N 3.17Å; A529-C531 VanDerWaalsContact C-N 3.33Å; A529-C531 PolarHBondContact O-N 2.9Å; A529-F532 PolarHBondContact O-N 2.86Å
530L85.4Confident83.9Confident1 Ų114.6 Ų14.61%0.0058%0.077CC..Hα-helixtrans-68.1-29.5177.6-67.9172.8000113V483 V488 I491 W503 L507 I526 S527 I528 F532 V533V483-L530 HydrophobicContact CG1-CD2 4.12Å; V488-L530 HydrophobicContact CG2-CD2 4.39Å; I491-L530 HydrophobicContact CD1-CB 4.4Å; I491-L530 HydrophobicContact CD1-CD1 3.42Å; I491-L530 VanDerWaalsContact CD1-CD1 3.42Å; I491-L530 HydrophobicContact CD1-CD2 3.37Å; I491-L530 HydrophobicContact CD1-CG 3.87Å; W503-L530 HydrophobicContact CZ3-CB 4.26Å; L507-L530 HydrophobicContact CD1-CD1 3.92Å; I526-L530 HydrophobicContact CG2-CD1 3.6Å; I526-L530 HydrophobicContact CG2-CG 4.1Å; I526-L530 VanDerWaalsContact O-CG 3.26Å; I526-L530 WeakPolarHBondContact O-CG 3.1Å; I526-L530 PolarHBondContact O-N 3.49Å; S527-L530 PolarHBondContact O-N 2.79Å; I528-L530 VanDerWaalsContact C-N 3.29Å; I528-L530 PolarHBondContact O-N 3.32Å; L530-F532 PolarHBondContact O-N 3.08Å; L530-V533 WeakPolarHBondContact O-CB 3.22Å; L530-V533 WeakPolarHBondContact O-CG2 3.46Å; L530-V533 PolarHBondContact O-N 2.88Å; L530-V533 VanDerWaalsContact O-N 3.13Å
531C85.3Confident84Confident1 Ų115.9 Ų15.91%0.0078%0.082CC..Hα-helixtrans-60.1-28.3172.7-69.40000112.4S527 I528 A529 V533 D534 P535 C538 A539S527-C531 PolarHBondContact O-N 3.46Å; S527-C531 VanDerWaalsContact O-N 3.08Å; S527-C531 PolarHBondContact O-SG 3.12Å; I528-C531 WeakPolarHBondContact O-CB 3.29Å; I528-C531 PolarHBondContact O-N 3.49Å; I528-C531 VanDerWaalsContact O-N 3.15Å; A529-C531 VanDerWaalsContact C-N 3.33Å; A529-C531 PolarHBondContact O-N 2.9Å; C531-V533 PolarHBondContact O-N 3.21Å; C531-V533 VanDerWaalsContact O-N 3.17Å; C531-D534 CarbonylContact O-C 3.57Å; C531-D534 PolarHBondContact O-N 2.98Å; C531-P535 WeakPolarHBondContact O-CA 3.37Å; C531-P535 VanDerWaalsContact O-N 3.09Å; C531-C538 HydrophobicContact CB-CB 4.36Å; C531-A539 HydrophobicContact CB-CB 4.35Å
532F82.9Confident84.2Confident12 Ų1210.8 Ų10.85%0.0536%0.059CC..THydrogen-bonded Turntrans-72.4-1.1177.5-75.3-82.1000114.9F8 A23 T26 C27 I528 A529 L530 V577 Y581F8-F532 HydrophobicContact CE1-CB 4.3Å; A23-F532 HydrophobicContact CB-CD1 3.84Å; A23-F532 HydrophobicContact CB-CE1 4.12Å; T26-F532 HydrophobicContact CG2-CE1 4.16Å; T26-F532 HydrophobicContact CG2-CZ 4.04Å; C27-F532 WeakPolarHBondContact SG-CE2 3.45Å; C27-F532 WeakPolarHBondContact SG-CZ 3.38Å; I528-F532 HydrophobicContact CG2-CE2 3.94Å; I528-F532 VanDerWaalsContact O-CD2 3.25Å; I528-F532 WeakPolarHBondContact O-CD2 3.45Å; A529-F532 PolarHBondContact O-N 2.86Å; L530-F532 PolarHBondContact O-N 3.08Å; F532-V577 HydrophobicContact CE2-CG2 4.42Å; F532-V577 HydrophobicContact CZ-CG2 4.21Å; F532-Y581 HydrophobicContact CE1-CE2 4.11Å
533V81.4Confident84.4Confident10 Ų1011 Ų116%0.0616%0.06CC..THydrogen-bonded Turntrans-64.5-45167.71730000110.9V7 T11 M14 V488 I491 I492 T495 L530 C531V7-V533 HydrophobicContact CG1-CG2 4.12Å; T11-V533 HydrophobicContact CG2-CB 4.49Å; T11-V533 HydrophobicContact CG2-CG2 4.1Å; M14-V533 HydrophobicContact SD-CG1 4.2Å; V488-V533 HydrophobicContact CG1-CG2 4.24Å; I491-V533 HydrophobicContact CG2-CG2 4.19Å; I492-V533 HydrophobicContact CB-CG1 4.45Å; I492-V533 HydrophobicContact CG1-CG1 3.7Å; I492-V533 HydrophobicContact CG1-CG2 4.29Å; T495-V533 HydrophobicContact CG2-CG1 4.16Å; L530-V533 WeakPolarHBondContact O-CB 3.22Å; L530-V533 WeakPolarHBondContact O-CG2 3.46Å; L530-V533 PolarHBondContact O-N 2.88Å; L530-V533 VanDerWaalsContact O-N 3.13Å; C531-V533 PolarHBondContact O-N 3.21Å; C531-V533 VanDerWaalsContact O-N 3.17Å
534D80.7Confident84.1Confident18 Ų1811.2 Ų11.210%0.0966%0.062CC..SBendtrans-150.587.4169.8-169.4-34.1000107.9K256 T495 C531 S536 E537 C538K256-D534 IonicContact NZ-OD2 3.53Å; K256-D534 PolarHBondContact NZ-OD2 2.9Å; T495-D534 HydrophobicContact CG2-CB 3.55Å; C531-D534 CarbonylContact O-C 3.57Å; C531-D534 PolarHBondContact O-N 2.98Å; D534-S536 PolarHBondContact O-N 3.3Å; D534-S536 PolarHBondContact OD1-N 3.44Å; D534-S536 PolarHBondContact OD1-OG 3.33Å; D534-E537 HydrophobicContact CB-CB 4.49Å; D534-E537 PolarHBondContact O-N 3.03Å; D534-E537 PolarHBondContact OD1-N 3.42Å; D534-C538 WeakPolarHBondContact O-CB 3.44Å; D534-C538 PolarHBondContact O-N 3.34Å; D534-C538 PolarHBondContact O-SG 2.83Å; D534-C538 VanDerWaalsContact O-SG 3.33Å
535P81Confident83.9Confident18 Ų1813.2 Ų13.212%0.1177%0.069CC..Hα-helixtrans-67.1-24-170.326.5-35.4000113.3C531 V577 Y581C531-P535 WeakPolarHBondContact O-CA 3.37Å; C531-P535 VanDerWaalsContact O-N 3.09Å; P535-V577 HydrophobicContact CB-CG1 4.26Å; P535-Y581 HydrophobicContact CB-CD1 3.93Å; P535-Y581 HydrophobicContact CB-CD2 3.5Å; P535-Y581 HydrophobicContact CB-CE1 4.12Å; P535-Y581 HydrophobicContact CB-CE2 3.71Å; P535-Y581 HydrophobicContact CB-CG 3.6Å; P535-Y581 HydrophobicContact CG-CD1 3.42Å; P535-Y581 VanDerWaalsContact CG-CD1 3.42Å; P535-Y581 HydrophobicContact CG-CD2 3.92Å; P535-Y581 HydrophobicContact CG-CE1 3.4Å; P535-Y581 VanDerWaalsContact CG-CE1 3.4Å; P535-Y581 HydrophobicContact CG-CE2 3.9Å; P535-Y581 HydrophobicContact CG-CG 3.66Å
536S81.5Confident83.7Confident50 Ų5012.6 Ų12.635%0.357%0.066SC..Hα-helixtrans-67-34.417526.10000113.4D534 P540D534-S536 PolarHBondContact O-N 3.3Å; D534-S536 PolarHBondContact OD1-N 3.44Å; D534-S536 PolarHBondContact OD1-OG 3.33Å; S536-P540 WeakPolarHBondContact O-CD 3.47Å; S536-P540 WeakPolarHBondContact O-CG 3.34Å
537E83.1Confident83.1Confident53 Ų5317.7 Ų17.725%0.2489%0.093CC..Hα-helixtrans-103.2-45.6-176.9-72.3-71.7145.700112F500 D534 R541 Y608F500-E537 HydrophobicContact CE1-CB 3.8Å; F500-E537 HydrophobicContact CZ-CB 3.64Å; F500-E537 HydrophobicContact CZ-CG 4.16Å; D534-E537 HydrophobicContact CB-CB 4.49Å; D534-E537 PolarHBondContact O-N 3.03Å; D534-E537 PolarHBondContact OD1-N 3.42Å; E537-R541 VanDerWaalsContact O-CB 3.31Å; E537-R541 WeakPolarHBondContact O-CB 3.36Å; E537-R541 WeakPolarHBondContact O-CD 3.43Å; E537-R541 WeakPolarHBondContact O-CG 3.31Å; E537-R541 PolarHBondContact O-N 3.22Å; E537-R541 VanDerWaalsContact O-N 3.17Å; E537-R541 IonicContact OE2-CZ 3.85Å; E537-R541 IonicContact OE2-NE 3.55Å; E537-R541 PolarHBondContact OE2-NE 3.4Å; E537-R541 IonicContact OE2-NH2 2.76Å; E537-R541 PolarHBondContact OE2-NH2 3.42Å; E537-Y608 PolarHBondContact OE1-OH 3.48Å; E537-Y608 WeakPolarHBondContact OE2-CE1 3.23Å; E537-Y608 PolarHBondContact OE2-OH 3.17Å
538C86.6Confident82.1Confident0 Ų019.6 Ų19.60%011%0.106CC..Hα-helixtrans-67.1-42-171.8-670000112.9W503 C531 D534 L542W503-C538 HydrophobicContact CH2-CB 4.3Å; W503-C538 HydrophobicContact CZ2-CB 4.15Å; C531-C538 HydrophobicContact CB-CB 4.36Å; D534-C538 WeakPolarHBondContact O-CB 3.44Å; D534-C538 PolarHBondContact O-N 3.34Å; D534-C538 PolarHBondContact O-SG 2.83Å; D534-C538 VanDerWaalsContact O-SG 3.33Å; C538-L542 VanDerWaalsContact O-CB 3.29Å; C538-L542 WeakPolarHBondContact O-CB 3.49Å; C538-L542 PolarHBondContact O-N 3.13Å
539A86.6Confident80.9Confident0 Ų021 Ų210%012%0.117CC..Hα-helixtrans-69.9-48.6-176.600000112.5C531 R541 L542 I543 L574 V577 A578C531-A539 HydrophobicContact CB-CB 4.35Å; A539-R541 PolarHBondContact O-N 2.97Å; A539-L542 PolarHBondContact O-N 3.3Å; A539-I543 WeakPolarHBondContact O-CG1 3.33Å; A539-I543 PolarHBondContact O-N 3.49Å; A539-L574 HydrophobicContact CB-CD1 3.99Å; A539-V577 HydrophobicContact CB-CB 4.44Å; A539-V577 HydrophobicContact CB-CG1 3.89Å; A539-A578 HydrophobicContact CB-CB 3.98Å
540P85.7Confident79.7Confident0 Ų023.2 Ų23.20%013%0.126CC..Hα-helixtrans-61.4-39.3174.2-26.437000113.7S536 I543 A544 A578 T582 Y608 L612 L615S536-P540 WeakPolarHBondContact O-CD 3.47Å; S536-P540 WeakPolarHBondContact O-CG 3.34Å; P540-I543 WeakPolarHBondContact O-CB 3.35Å; P540-I543 PolarHBondContact O-N 2.92Å; P540-A544 PolarHBondContact O-N 3.38Å; P540-A578 HydrophobicContact CG-CB 4.25Å; P540-T582 HydrophobicContact CG-CG2 3.73Å; P540-Y608 HydrophobicContact CB-CD2 4.5Å; P540-Y608 HydrophobicContact CB-CE2 4.06Å; P540-L612 HydrophobicContact CG-CD1 4.42Å; P540-L615 HydrophobicContact CB-CD1 3.74Å; P540-L615 HydrophobicContact CG-CD1 4.1Å
541R85.7Confident77.8Confident28 Ų2826 Ų2611%0.10614%0.144CC..Hα-helixtrans-65.9-39.4176.8-72.9176.5179.6-104.52.4112.2F500 I504 E537 A539 I543 A544 Y545 Y608F500-R541 VanDerWaalsContact CD2-CD 3.47Å; F500-R541 VanDerWaalsContact CD2-NE 3.31Å; F500-R541 VanDerWaalsContact CD2-NH1 3.3Å; I504-R541 HydrophobicContact CD1-CB 3.68Å; E537-R541 VanDerWaalsContact O-CB 3.31Å; E537-R541 WeakPolarHBondContact O-CB 3.36Å; E537-R541 WeakPolarHBondContact O-CD 3.43Å; E537-R541 WeakPolarHBondContact O-CG 3.31Å; E537-R541 PolarHBondContact O-N 3.22Å; E537-R541 VanDerWaalsContact O-N 3.17Å; E537-R541 IonicContact OE2-CZ 3.85Å; E537-R541 IonicContact OE2-NE 3.55Å; E537-R541 PolarHBondContact OE2-NE 3.4Å; E537-R541 IonicContact OE2-NH2 2.76Å; E537-R541 PolarHBondContact OE2-NH2 3.42Å; A539-R541 PolarHBondContact O-N 2.97Å; R541-I543 VanDerWaalsContact C-N 3.33Å; R541-A544 PolarHBondContact O-N 3.05Å; R541-Y545 WeakPolarHBondContact O-CB 3.22Å; R541-Y545 PolarHBondContact O-N 2.99Å; R541-Y608 HydrophobicContact CB-CD2 4.41Å; R541-Y608 HydrophobicContact CG-CD2 3.24Å; R541-Y608 HydrophobicContact CG-CE2 3.71Å; R541-Y608 HydrophobicContact CG-CG 3.88Å
542L86.6Confident76Confident0 Ų030 Ų300%017%0.165CC..Hα-helixtrans-62.7-42.5174.1-177.156.1000110.4I504 L507 V508 C538 A539 A544 Y545 L546 F570 L574I504-L542 HydrophobicContact CG2-CD1 3.89Å; L507-L542 HydrophobicContact CD2-CD1 3.66Å; L507-L542 HydrophobicContact CD2-CD2 4.3Å; V508-L542 HydrophobicContact CG2-CD1 4.35Å; C538-L542 VanDerWaalsContact O-CB 3.29Å; C538-L542 WeakPolarHBondContact O-CB 3.49Å; C538-L542 PolarHBondContact O-N 3.13Å; A539-L542 PolarHBondContact O-N 3.3Å; L542-A544 PolarHBondContact O-N 2.85Å; L542-Y545 PolarHBondContact O-N 3.2Å; L542-L546 HydrophobicContact CD1-CD1 4.2Å; L542-L546 HydrophobicContact CD1-CD2 4.23Å; L542-L546 HydrophobicContact CD1-CG 4.02Å; L542-L546 HydrophobicContact CG-CD1 3.98Å; L542-L546 HydrophobicContact CG-CG 4.28Å; L542-L546 WeakPolarHBondContact O-CB 3.43Å; L542-L546 WeakPolarHBondContact O-CG 3.29Å; L542-L546 PolarHBondContact O-N 3.32Å; L542-F570 HydrophobicContact CD2-CZ 4Å; L542-L574 HydrophobicContact CB-CD1 4.47Å; L542-L574 HydrophobicContact CB-CD2 4.44Å; L542-L574 HydrophobicContact CD2-CD1 3.98Å; L542-L574 HydrophobicContact CD2-CD2 4.09Å; L542-L574 HydrophobicContact CG-CD1 4.46Å; L542-L574 HydrophobicContact CG-CD2 3.98Å
543I85.2Confident74Confident9 Ų935 Ų355%0.04620%0.196CC..Hα-helixtrans-57.5-49.9173.4-68.5162.1000111.1A539 P540 R541 Y545 L546 D547 L574 F575 A578 T611 L615 T620A539-I543 WeakPolarHBondContact O-CG1 3.33Å; A539-I543 PolarHBondContact O-N 3.49Å; P540-I543 WeakPolarHBondContact O-CB 3.35Å; P540-I543 PolarHBondContact O-N 2.92Å; R541-I543 VanDerWaalsContact C-N 3.33Å; I543-Y545 VanDerWaalsContact C-N 3.28Å; I543-Y545 PolarHBondContact O-N 3.47Å; I543-L546 PolarHBondContact O-N 2.86Å; I543-D547 WeakPolarHBondContact O-CB 3.39Å; I543-D547 PolarHBondContact O-N 3.34Å; I543-L574 HydrophobicContact CD1-CG 4.18Å; I543-L574 HydrophobicContact CG1-CD2 3.66Å; I543-L574 HydrophobicContact CG1-CG 3.77Å; I543-F575 HydrophobicContact CD1-CD1 4.11Å; I543-F575 HydrophobicContact CD1-CD2 4.37Å; I543-F575 HydrophobicContact CD1-CE1 4.19Å; I543-F575 HydrophobicContact CD1-CE2 4.43Å; I543-F575 HydrophobicContact CD1-CG 4.21Å; I543-F575 HydrophobicContact CD1-CZ 4.35Å; I543-F575 HydrophobicContact CG1-CE2 4.36Å; I543-F575 HydrophobicContact CG1-CZ 4.45Å; I543-F575 HydrophobicContact CG2-CE1 4.24Å; I543-F575 HydrophobicContact CG2-CE2 4.31Å; I543-F575 HydrophobicContact CG2-CZ 3.76Å; I543-A578 HydrophobicContact CD1-CB 3.54Å; I543-T611 HydrophobicContact CG2-CG2 4.29Å; I543-L615 HydrophobicContact CD1-CD1 4.35Å; I543-T620 HydrophobicContact CG2-CG2 4.29Å
544A81.7Confident72.4Confident5 Ų539.7 Ų39.74%0.04122%0.217CC..Hα-helixtrans-59-38.7178.900000112.8P540 R541 L542 S548 T611P540-A544 PolarHBondContact O-N 3.38Å; R541-A544 PolarHBondContact O-N 3.05Å; L542-A544 PolarHBondContact O-N 2.85Å; A544-S548 PolarHBondContact O-N 3.24Å; A544-S548 VanDerWaalsContact O-N 3.16Å; A544-S548 PolarHBondContact O-OG 2.89Å; A544-T611 HydrophobicContact CB-CG2 4.08Å; A544-T611 VanDerWaalsContact CB-OG1 3.24Å; A544-T611 WeakPolarHBondContact CB-OG1 3.33Å
545Y80.6Confident71.1Confident48 Ų4840.7 Ų40.719%0.18822%0.219CC..Hα-helixtrans-73.8-39.2179.4-154.3-80.6000112I504 S505 V508 R541 L542 I543 S548 S549 L604I504-Y545 VanDerWaalsContact CG2-CB 3.45Å; I504-Y545 HydrophobicContact CG2-CD1 3.96Å; I504-Y545 HydrophobicContact CG2-CD2 3.88Å; I504-Y545 HydrophobicContact CG2-CG 3.48Å; I504-Y545 VanDerWaalsContact CG2-CG 3.48Å; S505-Y545 WeakPolarHBondContact CB-OH 3.42Å; V508-Y545 HydrophobicContact CB-CD1 4.05Å; V508-Y545 HydrophobicContact CB-CE1 4.06Å; V508-Y545 HydrophobicContact CG1-CD1 4.37Å; V508-Y545 HydrophobicContact CG1-CE1 4.35Å; V508-Y545 HydrophobicContact CG2-CD1 3.66Å; V508-Y545 HydrophobicContact CG2-CE1 4.19Å; R541-Y545 WeakPolarHBondContact O-CB 3.22Å; R541-Y545 PolarHBondContact O-N 2.99Å; L542-Y545 PolarHBondContact O-N 3.2Å; I543-Y545 VanDerWaalsContact C-N 3.28Å; I543-Y545 PolarHBondContact O-N 3.47Å; Y545-S548 WeakPolarHBondContact CA-OG 3.48Å; Y545-S548 PolarHBondContact O-N 3Å; Y545-S548 PolarHBondContact O-OG 3.09Å; Y545-S548 VanDerWaalsContact O-OG 3.11Å; Y545-S549 WeakPolarHBondContact CD1-OG 3.49Å; Y545-S549 WeakPolarHBondContact CE1-OG 3.19Å; Y545-S549 WeakPolarHBondContact O-CB 3.46Å; Y545-S549 PolarHBondContact O-N 3.25Å; Y545-S549 PolarHBondContact O-OG 3.28Å; Y545-L604 HydrophobicContact CD2-CD1 3.63Å; Y545-L604 HydrophobicContact CE2-CD1 4.2Å
546L77.8Confident69.9Low6 Ų643.8 Ų43.83%0.03124%0.235CC..Hα-helixtrans-63.9-44.1173.9-66.4172000110.1V508 W523 L542 I543 S548 S549 F550 F570 L571 L574V508-L546 HydrophobicContact CG2-CD2 3.63Å; W523-L546 HydrophobicContact CH2-CD2 4.34Å; L542-L546 HydrophobicContact CD1-CD1 4.2Å; L542-L546 HydrophobicContact CD1-CD2 4.23Å; L542-L546 HydrophobicContact CD1-CG 4.02Å; L542-L546 HydrophobicContact CG-CD1 3.98Å; L542-L546 HydrophobicContact CG-CG 4.28Å; L542-L546 WeakPolarHBondContact O-CB 3.43Å; L542-L546 WeakPolarHBondContact O-CG 3.29Å; L542-L546 PolarHBondContact O-N 3.32Å; I543-L546 PolarHBondContact O-N 2.86Å; L546-S548 VanDerWaalsContact C-N 3.28Å; L546-S548 PolarHBondContact O-N 3.27Å; L546-S549 PolarHBondContact O-N 2.87Å; L546-F550 HydrophobicContact CB-CD2 3.7Å; L546-F550 HydrophobicContact CB-CE2 3.61Å; L546-F550 HydrophobicContact CD1-CE2 4.45Å; L546-F550 HydrophobicContact CD2-CD2 4.11Å; L546-F550 HydrophobicContact CD2-CE2 3.18Å; L546-F550 HydrophobicContact CD2-CZ 3.67Å; L546-F550 HydrophobicContact CG-CD2 4.42Å; L546-F550 HydrophobicContact CG-CE2 3.83Å; L546-F550 WeakPolarHBondContact O-CB 3.24Å; L546-F550 WeakPolarHBondContact O-CD2 3.19Å; L546-F550 WeakPolarHBondContact O-CG 3.35Å; L546-F550 PolarHBondContact O-N 3.07Å; L546-F570 HydrophobicContact CD1-CE1 3.82Å; L546-F570 HydrophobicContact CD1-CZ 4.38Å; L546-L571 HydrophobicContact CD1-CD2 4.18Å; L546-L574 HydrophobicContact CD1-CD2 3.65Å
547D71.8Confident68.7Low107 Ų10746.2 Ų46.257%0.57224%0.244SC*.Hα-helixtrans-59-39.1177-170.446.4000112.4I543I543-D547 WeakPolarHBondContact O-CB 3.39Å; I543-D547 PolarHBondContact O-N 3.34Å
548S66.4Low68Low40 Ų4044.6 Ų44.628%0.2824%0.236SC..Hα-helixtrans-82.6-32.9178.853.70000115.5A544 Y545 L546A544-S548 PolarHBondContact O-N 3.24Å; A544-S548 VanDerWaalsContact O-N 3.16Å; A544-S548 PolarHBondContact O-OG 2.89Å; Y545-S548 WeakPolarHBondContact CA-OG 3.48Å; Y545-S548 PolarHBondContact O-N 3Å; Y545-S548 PolarHBondContact O-OG 3.09Å; Y545-S548 VanDerWaalsContact O-OG 3.11Å; L546-S548 VanDerWaalsContact C-N 3.28Å; L546-S548 PolarHBondContact O-N 3.27Å
549S59.8Low67.2Low33 Ų3345.6 Ų45.623%0.23124%0.242CC..Hα-helixtrans-87.6-20.2-178.9-58.40000113.3Y545 L546 P551Y545-S549 WeakPolarHBondContact CD1-OG 3.49Å; Y545-S549 WeakPolarHBondContact CE1-OG 3.19Å; Y545-S549 WeakPolarHBondContact O-CB 3.46Å; Y545-S549 PolarHBondContact O-N 3.25Å; Y545-S549 PolarHBondContact O-OG 3.28Å; L546-S549 PolarHBondContact O-N 2.87Å; S549-P551 WeakPolarHBondContact O-CD 3.44Å
550F57.7Low66.6Low48 Ų4847.9 Ų47.921%0.21126%0.256CS..SBendtrans-99.570.4163.8-55-58.8000108.5V511 L546 I552 F558V511-F550 HydrophobicContact CG1-CZ 4.36Å; L546-F550 HydrophobicContact CB-CD2 3.7Å; L546-F550 HydrophobicContact CB-CE2 3.61Å; L546-F550 HydrophobicContact CD1-CE2 4.45Å; L546-F550 HydrophobicContact CD2-CD2 4.11Å; L546-F550 HydrophobicContact CD2-CE2 3.18Å; L546-F550 HydrophobicContact CD2-CZ 3.67Å; L546-F550 HydrophobicContact CG-CD2 4.42Å; L546-F550 HydrophobicContact CG-CE2 3.83Å; L546-F550 WeakPolarHBondContact O-CB 3.24Å; L546-F550 WeakPolarHBondContact O-CD2 3.19Å; L546-F550 WeakPolarHBondContact O-CG 3.35Å; L546-F550 PolarHBondContact O-N 3.07Å; F550-I552 PolarHBondContact O-N 3.35Å; F550-F558 HydrophobicContact CD1-CD1 4.34Å; F550-F558 AromaticContact CD1-CD2 3.77Å; F550-F558 HydrophobicContact CD1-CD2 3.77Å; F550-F558 HydrophobicContact CD1-CE1 4.3Å; F550-F558 AromaticContact CD1-CE2 3.69Å; F550-F558 HydrophobicContact CD1-CE2 3.69Å; F550-F558 HydrophobicContact CD1-CG 4.09Å; F550-F558 AromaticContact CD1-CZ 3.98Å; F550-F558 HydrophobicContact CD1-CZ 3.98Å; F550-F558 AromaticContact CE1-CD1 3.7Å; F550-F558 HydrophobicContact CE1-CD1 3.7Å; F550-F558 AromaticContact CE1-CD2 3.96Å; F550-F558 HydrophobicContact CE1-CD2 3.96Å; F550-F558 AromaticContact CE1-CE1 3.54Å; F550-F558 HydrophobicContact CE1-CE1 3.54Å; F550-F558 AromaticContact CE1-CE2 3.78Å; F550-F558 HydrophobicContact CE1-CE2 3.78Å; F550-F558 AromaticContact CE1-CG 3.91Å; F550-F558 HydrophobicContact CE1-CG 3.91Å; F550-F558 AromaticContact CE1-CZ 3.57Å; F550-F558 HydrophobicContact CE1-CZ 3.57Å; F550-F558 HydrophobicContact CZ-CD1 4.44Å; F550-F558 HydrophobicContact CZ-CE1 4.42Å
551P46.4Very low65.9Low59 Ų5951.5 Ų51.538%0.38329%0.286SS..  trans-54.9123.9163.826.3-30000106S549 T553 H554S549-P551 WeakPolarHBondContact O-CD 3.44Å; P551-T553 PolarHBondContact O-N 2.98Å; P551-T553 PolarHBondContact O-OG1 2.88Å; P551-H554 PolarHBondContact O-N 3.46Å
552I45.8Very low65.2Low87 Ų8752.9 Ų52.945%0.44630%0.299SS..G310 helixtrans-43-9.8177.2-76.9162.7000113.8F550 R555F550-I552 PolarHBondContact O-N 3.35Å; I552-R555 VanDerWaalsContact CG2-CZ 3.49Å; I552-R555 VanDerWaalsContact CG2-NH2 3.28Å; I552-R555 VanDerWaalsContact O-CD 3.27Å; I552-R555 WeakPolarHBondContact O-CD 3.33Å; I552-R555 WeakPolarHBondContact O-CG 3.32Å
553T42.3Very low64.9Low115 Ų11554.6 Ų54.671%0.70631%0.306SS*.G310 helixtrans-73.9-24.5171.249.20000115.5P551P551-T553 PolarHBondContact O-N 2.98Å; P551-T553 PolarHBondContact O-OG1 2.88Å
554H47.3Very low64.6Low110 Ų11054.3 Ų54.351%0.50930%0.304SS..G310 helixtrans-101.722.9178.9-73.2-64.7000114.2P551 D556 L557P551-H554 PolarHBondContact O-N 3.46Å; H554-D556 PolarHBondContact O-N 2.97Å; H554-D556 VanDerWaalsContact O-N 3.09Å; H554-L557 HydrophobicContact CB-CD1 4.38Å; H554-L557 PolarHBondContact O-N 3.4Å
555R54.5Low64.7Low38 Ų3854.9 Ų54.914%0.14331%0.311CS..G310 helixtrans-44.6-42.5-178.7-84.9169.1176.5169.75.7114.2I552 L557 F558 C559 S627 D629 Y637I552-R555 VanDerWaalsContact CG2-CZ 3.49Å; I552-R555 VanDerWaalsContact CG2-NH2 3.28Å; I552-R555 VanDerWaalsContact O-CD 3.27Å; I552-R555 WeakPolarHBondContact O-CD 3.33Å; I552-R555 WeakPolarHBondContact O-CG 3.32Å; R555-L557 PolarHBondContact O-N 3.02Å; R555-F558 PolarHBondContact O-N 3.38Å; R555-C559 WeakPolarHBondContact O-CB 2.94Å; R555-C559 PolarHBondContact O-N 2.92Å; R555-S627 VanDerWaalsContact CZ-O 3.23Å; R555-S627 PolarHBondContact NE-O 2.9Å; R555-S627 PolarHBondContact NH2-O 3.34Å; R555-D629 IonicContact NH1-OD2 2.82Å; R555-D629 PolarHBondContact NH1-OD2 2.98Å; R555-Y637 HydrophobicContact CB-CE1 4.28Å
556D55.9Low64.8Low83 Ų8354.3 Ų54.344%0.44431%0.313SS..G310 helixtrans-62.6-25.4-175.8-63.6-25.1000113.5H554 V560H554-D556 PolarHBondContact O-N 2.97Å; H554-D556 VanDerWaalsContact O-N 3.09Å; D556-V560 VanDerWaalsContact O-CB 3.31Å; D556-V560 WeakPolarHBondContact O-CB 3.41Å; D556-V560 WeakPolarHBondContact O-CG2 3.47Å
557L56.3Low65.2Low102 Ų10254.5 Ų54.553%0.53431%0.314SS..G310 helixtrans-82.2-17.4-178.4-74.6161.3000113.7H554 R555 R563H554-L557 HydrophobicContact CB-CD1 4.38Å; H554-L557 PolarHBondContact O-N 3.4Å; R555-L557 PolarHBondContact O-N 3.02Å; L557-R563 WeakPolarHBondContact O-CD 3.39Å; L557-R563 PolarHBondContact O-NH1 3.45Å
558F66.9Low65.8Low19 Ų1949.4 Ų49.48%0.08329%0.287CS..THydrogen-bonded Turntrans-121.2-38.3-171.9-70.6-74.7000113.9V511 H512 F550 R555 V560 R563 G564 L567V511-F558 HydrophobicContact CG1-CE1 4.46Å; H512-F558 AromaticContact CD2-CZ 3.55Å; H512-F558 AromaticContact CE1-CZ 3.96Å; H512-F558 AromaticContact NE2-CE2 3.96Å; H512-F558 AromaticContact NE2-CZ 3.44Å; H512-F558 WeakPolarHBondContact NE2-CZ 3.48Å; F550-F558 HydrophobicContact CD1-CD1 4.34Å; F550-F558 AromaticContact CD1-CD2 3.77Å; F550-F558 HydrophobicContact CD1-CD2 3.77Å; F550-F558 HydrophobicContact CD1-CE1 4.3Å; F550-F558 AromaticContact CD1-CE2 3.69Å; F550-F558 HydrophobicContact CD1-CE2 3.69Å; F550-F558 HydrophobicContact CD1-CG 4.09Å; F550-F558 AromaticContact CD1-CZ 3.98Å; F550-F558 HydrophobicContact CD1-CZ 3.98Å; F550-F558 AromaticContact CE1-CD1 3.7Å; F550-F558 HydrophobicContact CE1-CD1 3.7Å; F550-F558 AromaticContact CE1-CD2 3.96Å; F550-F558 HydrophobicContact CE1-CD2 3.96Å; F550-F558 AromaticContact CE1-CE1 3.54Å; F550-F558 HydrophobicContact CE1-CE1 3.54Å; F550-F558 AromaticContact CE1-CE2 3.78Å; F550-F558 HydrophobicContact CE1-CE2 3.78Å; F550-F558 AromaticContact CE1-CG 3.91Å; F550-F558 HydrophobicContact CE1-CG 3.91Å; F550-F558 AromaticContact CE1-CZ 3.57Å; F550-F558 HydrophobicContact CE1-CZ 3.57Å; F550-F558 HydrophobicContact CZ-CD1 4.44Å; F550-F558 HydrophobicContact CZ-CE1 4.42Å; R555-F558 PolarHBondContact O-N 3.38Å; F558-V560 PolarHBondContact O-N 3.34Å; F558-R563 CarbonylContact O-C 3.54Å; F558-R563 WeakPolarHBondContact O-CB 3.41Å; F558-G564 WeakPolarHBondContact O-CA 3.48Å; F558-G564 PolarHBondContact O-N 3.4Å; F558-L567 HydrophobicContact CB-CD1 4.27Å; F558-L567 HydrophobicContact CD1-CD1 3.96Å
559C70.9Confident66.7Low20 Ų2048.8 Ų48.814%0.13528%0.282CS..SBendtrans-79.9-7.4-179.4-59.10000112.4R555 F642R555-C559 WeakPolarHBondContact O-CB 2.94Å; R555-C559 PolarHBondContact O-N 2.92Å; C559-F642 HydrophobicContact CB-CB 3.83Å; C559-F642 HydrophobicContact CB-CD1 4.5Å; C559-F642 HydrophobicContact CB-CD2 4.26Å; C559-F642 HydrophobicContact CB-CG 3.97Å; C559-F642 WeakPolarHBondContact O-CB 3.41Å
560V74.2Confident68.1Low48 Ų4847.3 Ų47.329%0.29127%0.272SS..SBendtrans-97.3151.4-176.9-173.10000111D556 F558 R563 G564 P638D556-V560 VanDerWaalsContact O-CB 3.31Å; D556-V560 WeakPolarHBondContact O-CB 3.41Å; D556-V560 WeakPolarHBondContact O-CG2 3.47Å; F558-V560 PolarHBondContact O-N 3.34Å; V560-R563 PolarHBondContact O-N 3.13Å; V560-G564 PolarHBondContact O-N 3.42Å; V560-P638 HydrophobicContact CG2-CB 3.3Å; V560-P638 HydrophobicContact CG2-CG 4.42Å
561A69.6Low69.5Low76 Ų7646.4 Ų46.463%0.62827%0.269SS*.THydrogen-bonded Turntrans-56.9140172.300000110.6
562P71.6Confident71.5Confident58 Ų5843.7 Ų43.738%0.37725%0.251SS..THydrogen-bonded Turncis-86.2-0.78.431.9-33.7000115.4N515 P517N515-P562 WeakPolarHBondContact O-CG 3.43Å; P517-P562 HydrophobicContact CG-CB 3.73Å
563R79.7Confident73.5Confident36 Ų3640.7 Ų40.714%0.13624%0.236CC..THydrogen-bonded Turntrans-85.4-36-168.8-48.9-152.6170.3146.3-16.4114.2H512 L514 I520 L557 F558 V560 G565 P566 L567H512-R563 PolarHBondContact O-NH2 2.96Å; L514-R563 PolarHBondContact O-NE 2.94Å; L514-R563 PolarHBondContact O-NH2 3.32Å; I520-R563 HydrophobicContact CD1-CB 3.89Å; I520-R563 HydrophobicContact CD1-CG 3.5Å; I520-R563 VanDerWaalsContact CD1-CG 3.5Å; L557-R563 WeakPolarHBondContact O-CD 3.39Å; L557-R563 PolarHBondContact O-NH1 3.45Å; F558-R563 CarbonylContact O-C 3.54Å; F558-R563 WeakPolarHBondContact O-CB 3.41Å; V560-R563 PolarHBondContact O-N 3.13Å; R563-G565 PolarHBondContact O-N 2.82Å; R563-P566 WeakPolarHBondContact O-CD 2.94Å; R563-L567 HydrophobicContact CB-CD1 3.95Å; R563-L567 WeakPolarHBondContact O-CB 3.33Å; R563-L567 WeakPolarHBondContact O-CG 3.27Å; R563-L567 PolarHBondContact O-N 3.26Å
564G79.7Confident75.8Confident2 Ų235.3 Ų35.32%0.02120%0.202CC..Hα-helixtrans-55.2-49.2-168.400000114.5F558 V560 L567 A568 F642F558-G564 WeakPolarHBondContact O-CA 3.48Å; F558-G564 PolarHBondContact O-N 3.4Å; V560-G564 PolarHBondContact O-N 3.42Å; G564-L567 PolarHBondContact O-N 2.71Å; G564-A568 VanDerWaalsContact O-CB 3.3Å; G564-A568 WeakPolarHBondContact O-CB 3.36Å; G564-A568 PolarHBondContact O-N 3.34Å; G564-F642 VanDerWaalsContact O-CD2 3.23Å; G564-F642 WeakPolarHBondContact O-CD2 3Å
565G83.4Confident77.7Confident18 Ų1830.4 Ų30.419%0.18618%0.179CC..Hα-helixtrans-61.8-54.9-176.500000114.6R563 L567 A568 S569R563-G565 PolarHBondContact O-N 2.82Å; G565-L567 VanDerWaalsContact C-N 3.34Å; G565-L567 PolarHBondContact O-N 2.87Å; G565-A568 PolarHBondContact O-N 2.69Å; G565-S569 PolarHBondContact O-N 3.26Å; G565-S569 PolarHBondContact O-OG 3.3Å; G565-S569 VanDerWaalsContact O-OG 3.06Å
566P82.8Confident79.3Confident36 Ų3628.6 Ų28.623%0.23417%0.173CC..Hα-helixtrans-57.3-42.8175.4-27.935.3000113.5I520 R563 S569 F570I520-P566 HydrophobicContact CG2-CB 3.83Å; I520-P566 HydrophobicContact CG2-CG 4.47Å; R563-P566 WeakPolarHBondContact O-CD 2.94Å; P566-S569 PolarHBondContact O-N 2.89Å; P566-F570 WeakPolarHBondContact O-CB 3.34Å; P566-F570 PolarHBondContact O-N 3.29Å
567L85.9Confident80.8Confident10 Ų1024.7 Ų24.75%0.05215%0.152CC..Hα-helixtrans-69.4-37-178.9-69.5176.7000112.7V511 I520 W523 F558 R563 G564 G565 S569 F570 L571 F642V511-L567 HydrophobicContact CG2-CD2 4.35Å; I520-L567 HydrophobicContact CG2-CD2 4.12Å; I520-L567 HydrophobicContact CG2-CG 4.1Å; W523-L567 HydrophobicContact CE3-CD2 4.36Å; W523-L567 HydrophobicContact CZ3-CD2 3.93Å; F558-L567 HydrophobicContact CB-CD1 4.27Å; F558-L567 HydrophobicContact CD1-CD1 3.96Å; R563-L567 HydrophobicContact CB-CD1 3.95Å; R563-L567 WeakPolarHBondContact O-CB 3.33Å; R563-L567 WeakPolarHBondContact O-CG 3.27Å; R563-L567 PolarHBondContact O-N 3.26Å; G564-L567 PolarHBondContact O-N 2.71Å; G565-L567 VanDerWaalsContact C-N 3.34Å; G565-L567 PolarHBondContact O-N 2.87Å; L567-S569 VanDerWaalsContact C-N 3.31Å; L567-S569 PolarHBondContact O-N 2.74Å; L567-F570 HydrophobicContact CD2-CD1 4.48Å; L567-F570 PolarHBondContact O-N 2.87Å; L567-L571 WeakPolarHBondContact O-CG 3.45Å; L567-L571 PolarHBondContact O-N 3.08Å; L567-F642 HydrophobicContact CB-CE2 4.23Å
568A84.8Confident82.3Confident0 Ų019.9 Ų19.90%013%0.127CC..Hα-helixtrans-59.4-44.8173.700000111.3G564 G565 L571 V572 F642 I645 F646G564-A568 VanDerWaalsContact O-CB 3.3Å; G564-A568 WeakPolarHBondContact O-CB 3.36Å; G564-A568 PolarHBondContact O-N 3.34Å; G565-A568 PolarHBondContact O-N 2.69Å; A568-L571 PolarHBondContact O-N 3.32Å; A568-V572 PolarHBondContact O-N 2.96Å; A568-F642 HydrophobicContact CB-CD2 3.73Å; A568-F642 HydrophobicContact CB-CE2 3.8Å; A568-F642 HydrophobicContact CB-CG 4.22Å; A568-F642 HydrophobicContact CB-CZ 4.35Å; A568-F642 WeakPolarHBondContact CB-O 3.49Å; A568-I645 HydrophobicContact CB-CB 4.16Å; A568-I645 HydrophobicContact CB-CG2 3.91Å; A568-F646 HydrophobicContact CB-CB 4.03Å
569S85.6Confident83.1Confident26 Ų2619.8 Ų19.818%0.18213%0.127CC..Hα-helixtrans-64.4-43.1176.7-49.40000111.5G565 P566 L567 V572 Q573 Q649G565-S569 PolarHBondContact O-N 3.26Å; G565-S569 PolarHBondContact O-OG 3.3Å; G565-S569 VanDerWaalsContact O-OG 3.06Å; P566-S569 PolarHBondContact O-N 2.89Å; L567-S569 VanDerWaalsContact C-N 3.31Å; L567-S569 PolarHBondContact O-N 2.74Å; S569-V572 PolarHBondContact O-N 2.87Å; S569-Q573 WeakPolarHBondContact O-CG 3.16Å; S569-Q573 PolarHBondContact O-N 3.39Å; S569-Q573 VanDerWaalsContact O-N 3.13Å; S569-Q649 WeakPolarHBondContact OG-CG 3.37Å
570F88Confident83.8Confident3 Ų321.4 Ų21.41%0.01313%0.13CC..Hα-helixtrans-61-43.6177.2166.8-104.4000112.9W523 C524 I528 L542 L546 P566 L567 Q573 L574W523-F570 AromaticContact CH2-CE1 3.83Å; W523-F570 HydrophobicContact CH2-CE1 3.83Å; W523-F570 AromaticContact CH2-CZ 3.98Å; W523-F570 HydrophobicContact CH2-CZ 3.98Å; W523-F570 AromaticContact CZ3-CD1 3.9Å; W523-F570 HydrophobicContact CZ3-CD1 3.9Å; W523-F570 AromaticContact CZ3-CE1 3.61Å; W523-F570 HydrophobicContact CZ3-CE1 3.61Å; W523-F570 HydrophobicContact CZ3-CE2 4.31Å; W523-F570 HydrophobicContact CZ3-CG 4.37Å; W523-F570 AromaticContact CZ3-CZ 3.83Å; W523-F570 HydrophobicContact CZ3-CZ 3.83Å; C524-F570 HydrophobicContact CB-CB 3.82Å; C524-F570 HydrophobicContact CB-CD2 3.72Å; C524-F570 HydrophobicContact CB-CG 3.98Å; C524-F570 VanDerWaalsContact SG-CB 3.51Å; I528-F570 HydrophobicContact CD1-CD2 3.89Å; I528-F570 HydrophobicContact CD1-CE2 4.39Å; I528-F570 HydrophobicContact CG1-CD2 3.81Å; I528-F570 HydrophobicContact CG1-CE2 3.79Å; L542-F570 HydrophobicContact CD2-CZ 4Å; L546-F570 HydrophobicContact CD1-CE1 3.82Å; L546-F570 HydrophobicContact CD1-CZ 4.38Å; P566-F570 WeakPolarHBondContact O-CB 3.34Å; P566-F570 PolarHBondContact O-N 3.29Å; L567-F570 HydrophobicContact CD2-CD1 4.48Å; L567-F570 PolarHBondContact O-N 2.87Å; F570-Q573 PolarHBondContact O-N 3.41Å; F570-L574 HydrophobicContact CE1-CD2 4.07Å; F570-L574 HydrophobicContact CZ-CD2 3.93Å; F570-L574 WeakPolarHBondContact O-CB 3.5Å; F570-L574 PolarHBondContact O-N 3.34Å
571L88.2Confident84.1Confident29 Ų2921.7 Ų21.715%0.15213%0.127CC..Hα-helixtrans-62.7-45.4178.4-74.2-177.3000111.7L546 L567 A568 Q573 L574 F575 F642 F646L546-L571 HydrophobicContact CD1-CD2 4.18Å; L567-L571 WeakPolarHBondContact O-CG 3.45Å; L567-L571 PolarHBondContact O-N 3.08Å; A568-L571 PolarHBondContact O-N 3.32Å; L571-Q573 VanDerWaalsContact C-N 3.29Å; L571-Q573 PolarHBondContact O-N 3.33Å; L571-L574 PolarHBondContact O-N 3.27Å; L571-F575 WeakPolarHBondContact O-CD2 2.83Å; L571-F575 PolarHBondContact O-N 2.78Å; L571-F642 HydrophobicContact CD1-CE2 4.45Å; L571-F642 HydrophobicContact CD1-CZ 3.7Å; L571-F646 HydrophobicContact CB-CD2 4.4Å; L571-F646 HydrophobicContact CB-CE2 4.11Å
572V88.2Confident84.5Confident1 Ų118.8 Ų18.81%0.00610%0.101CC..Hα-helixtrans-55-49.8175.3174.40000110A568 S569 L574 F575 L576 F646 Q649 L650A568-V572 PolarHBondContact O-N 2.96Å; S569-V572 PolarHBondContact O-N 2.87Å; V572-L574 PolarHBondContact O-N 3.37Å; V572-F575 PolarHBondContact O-N 3.3Å; V572-L576 HydrophobicContact CG1-CD1 4.01Å; V572-L576 HydrophobicContact CG1-CG 4.44Å; V572-L576 VanDerWaalsContact O-CG 3.25Å; V572-L576 WeakPolarHBondContact O-CG 3.5Å; V572-L576 PolarHBondContact O-N 2.88Å; V572-F646 HydrophobicContact CG2-CD1 4.32Å; V572-F646 HydrophobicContact CG2-CD2 3.55Å; V572-F646 HydrophobicContact CG2-CE1 4.22Å; V572-F646 HydrophobicContact CG2-CE2 3.48Å; V572-F646 VanDerWaalsContact CG2-CE2 3.48Å; V572-F646 HydrophobicContact CG2-CG 3.99Å; V572-F646 HydrophobicContact CG2-CZ 3.83Å; V572-Q649 HydrophobicContact CB-CB 4.39Å; V572-Q649 HydrophobicContact CG2-CB 4.06Å; V572-L650 HydrophobicContact CG1-CB 4.45Å; V572-L650 HydrophobicContact CG1-CD1 4.46Å; V572-L650 HydrophobicContact CG2-CB 4.32Å
573Q88.5Confident84Confident25 Ų2520.2 Ų20.212%0.11711%0.112CC..Hα-helixtrans-62.2-41.7179.8-67.5179-21.200112.6I30 I528 S569 F570 L571 L576 V577I30-Q573 HydrophobicContact CG2-CB 3.57Å; I30-Q573 HydrophobicContact CG2-CG 3.59Å; I30-Q573 PolarHBondContact O-NE2 3.43Å; I528-Q573 HydrophobicContact CD1-CB 3.67Å; I528-Q573 HydrophobicContact CD1-CG 4.42Å; S569-Q573 WeakPolarHBondContact O-CG 3.16Å; S569-Q573 PolarHBondContact O-N 3.39Å; S569-Q573 VanDerWaalsContact O-N 3.13Å; F570-Q573 PolarHBondContact O-N 3.41Å; L571-Q573 VanDerWaalsContact C-N 3.29Å; L571-Q573 PolarHBondContact O-N 3.33Å; Q573-L576 PolarHBondContact O-N 3.34Å; Q573-V577 WeakPolarHBondContact O-CG2 3.42Å; Q573-V577 PolarHBondContact O-N 3.27Å
574L88.8Confident82.6Confident1 Ų123.8 Ų23.81%0.00514%0.14CC..Hα-helixtrans-63.7-44.3179.1-178.262.4000111.9A539 L542 I543 L546 F570 L571 V572 V577 A578A539-L574 HydrophobicContact CB-CD1 3.99Å; L542-L574 HydrophobicContact CB-CD1 4.47Å; L542-L574 HydrophobicContact CB-CD2 4.44Å; L542-L574 HydrophobicContact CD2-CD1 3.98Å; L542-L574 HydrophobicContact CD2-CD2 4.09Å; L542-L574 HydrophobicContact CG-CD1 4.46Å; L542-L574 HydrophobicContact CG-CD2 3.98Å; I543-L574 HydrophobicContact CD1-CG 4.18Å; I543-L574 HydrophobicContact CG1-CD2 3.66Å; I543-L574 HydrophobicContact CG1-CG 3.77Å; L546-L574 HydrophobicContact CD1-CD2 3.65Å; F570-L574 HydrophobicContact CE1-CD2 4.07Å; F570-L574 HydrophobicContact CZ-CD2 3.93Å; F570-L574 WeakPolarHBondContact O-CB 3.5Å; F570-L574 PolarHBondContact O-N 3.34Å; L571-L574 PolarHBondContact O-N 3.27Å; V572-L574 PolarHBondContact O-N 3.37Å; L574-V577 PolarHBondContact O-N 3.06Å; L574-A578 WeakPolarHBondContact O-CB 3.24Å; L574-A578 PolarHBondContact O-N 2.98Å
575F88.6Confident80.8Confident7 Ų726.9 Ų26.93%0.03116%0.16CC..Hα-helixtrans-64.9-39.8175.6-88.3-88.4000112I543 L571 V572 A578 L579 L615 T620 I621 L624 M661I543-F575 HydrophobicContact CD1-CD1 4.11Å; I543-F575 HydrophobicContact CD1-CD2 4.37Å; I543-F575 HydrophobicContact CD1-CE1 4.19Å; I543-F575 HydrophobicContact CD1-CE2 4.43Å; I543-F575 HydrophobicContact CD1-CG 4.21Å; I543-F575 HydrophobicContact CD1-CZ 4.35Å; I543-F575 HydrophobicContact CG1-CE2 4.36Å; I543-F575 HydrophobicContact CG1-CZ 4.45Å; I543-F575 HydrophobicContact CG2-CE1 4.24Å; I543-F575 HydrophobicContact CG2-CE2 4.31Å; I543-F575 HydrophobicContact CG2-CZ 3.76Å; L571-F575 WeakPolarHBondContact O-CD2 2.83Å; L571-F575 PolarHBondContact O-N 2.78Å; V572-F575 PolarHBondContact O-N 3.3Å; F575-A578 PolarHBondContact O-N 3.35Å; F575-L579 WeakPolarHBondContact O-CB 3.48Å; F575-L579 VanDerWaalsContact O-CG 3.29Å; F575-L579 WeakPolarHBondContact O-CG 3.47Å; F575-L579 PolarHBondContact O-N 3Å; F575-L615 HydrophobicContact CD1-CD2 4.07Å; F575-L615 HydrophobicContact CE1-CD2 3.93Å; F575-T620 HydrophobicContact CE1-CG2 4.2Å; F575-T620 HydrophobicContact CZ-CG2 4.42Å; F575-I621 HydrophobicContact CD1-CG1 4.44Å; F575-I621 HydrophobicContact CE1-CG1 4.48Å; F575-L624 HydrophobicContact CD2-CD2 4.15Å; F575-L624 HydrophobicContact CE1-CD2 4.46Å; F575-L624 HydrophobicContact CE2-CD1 4.37Å; F575-L624 HydrophobicContact CE2-CD2 3.68Å; F575-L624 HydrophobicContact CZ-CB 4.4Å; F575-L624 HydrophobicContact CZ-CD2 3.85Å; F575-L624 HydrophobicContact CZ-CG 4.5Å; F575-M661 HydrophobicContact CB-CE 3.69Å; F575-M661 HydrophobicContact CB-SD 3.76Å; F575-M661 HydrophobicContact CG-CE 4.12Å
576L88.2Confident78.7Confident0 Ų029.1 Ų29.10%017%0.173CC..Hα-helixtrans-62.2-42.6175.1-68175000112I30 V572 Q573 R580 H653 E657 A658 M661I30-L576 HydrophobicContact CD1-CB 4Å; I30-L576 HydrophobicContact CG1-CB 4.2Å; V572-L576 HydrophobicContact CG1-CD1 4.01Å; V572-L576 HydrophobicContact CG1-CG 4.44Å; V572-L576 VanDerWaalsContact O-CG 3.25Å; V572-L576 WeakPolarHBondContact O-CG 3.5Å; V572-L576 PolarHBondContact O-N 2.88Å; Q573-L576 PolarHBondContact O-N 3.34Å; L576-R580 VanDerWaalsContact O-CB 3.27Å; L576-R580 WeakPolarHBondContact O-CB 3.24Å; L576-R580 PolarHBondContact O-N 2.64Å; L576-R580 VanDerWaalsContact O-N 3.13Å; L576-H653 HydrophobicContact CD1-CB 4.11Å; L576-E657 HydrophobicContact CD2-CB 3.78Å; L576-A658 HydrophobicContact CD2-CB 3.83Å; L576-M661 HydrophobicContact CD2-SD 4.06Å; L576-M661 HydrophobicContact CG-SD 4.43Å
577V86.5Confident76.8Confident2 Ų233.4 Ų33.41%0.01220%0.201CC..Hα-helixtrans-62-50.1173.8174.20000110.1I30 F532 P535 A539 Q573 L574 L579 R580 Y581I30-V577 HydrophobicContact CD1-CB 4.39Å; I30-V577 HydrophobicContact CD1-CG2 3.48Å; I30-V577 VanDerWaalsContact CD1-CG2 3.48Å; F532-V577 HydrophobicContact CE2-CG2 4.42Å; F532-V577 HydrophobicContact CZ-CG2 4.21Å; P535-V577 HydrophobicContact CB-CG1 4.26Å; A539-V577 HydrophobicContact CB-CB 4.44Å; A539-V577 HydrophobicContact CB-CG1 3.89Å; Q573-V577 WeakPolarHBondContact O-CG2 3.42Å; Q573-V577 PolarHBondContact O-N 3.27Å; L574-V577 PolarHBondContact O-N 3.06Å; V577-L579 PolarHBondContact O-N 2.92Å; V577-R580 PolarHBondContact O-N 3.14Å; V577-Y581 HydrophobicContact CG1-CD2 4.17Å; V577-Y581 HydrophobicContact CG1-CE2 4.41Å; V577-Y581 WeakPolarHBondContact O-CD2 3.38Å; V577-Y581 PolarHBondContact O-N 3.3Å
578A87.2Confident74.7Confident0 Ų037.3 Ų37.30%023%0.229CC..Hα-helixtrans-57.6-52.5-178.400000111.6A539 P540 I543 L574 F575 R580 Y581 T582 L615A539-A578 HydrophobicContact CB-CB 3.98Å; P540-A578 HydrophobicContact CG-CB 4.25Å; I543-A578 HydrophobicContact CD1-CB 3.54Å; L574-A578 WeakPolarHBondContact O-CB 3.24Å; L574-A578 PolarHBondContact O-N 2.98Å; F575-A578 PolarHBondContact O-N 3.35Å; A578-R580 VanDerWaalsContact C-N 3.27Å; A578-R580 PolarHBondContact O-N 3.34Å; A578-Y581 PolarHBondContact O-N 3.36Å; A578-T582 WeakPolarHBondContact O-CB 3.2Å; A578-T582 VanDerWaalsContact O-CG2 3.31Å; A578-T582 WeakPolarHBondContact O-CG2 3.3Å; A578-T582 PolarHBondContact O-N 2.98Å; A578-T582 PolarHBondContact O-OG1 3.23Å; A578-L615 HydrophobicContact CB-CD1 4.33Å
579L85.7Confident72.9Confident17 Ų1740.2 Ų40.29%0.08925%0.247CC..Hα-helixtrans-60.9-34.6-179.3-71.1171.4000113F575 V577 T582 L615 F618 I621 E657 M661F575-L579 WeakPolarHBondContact O-CB 3.48Å; F575-L579 VanDerWaalsContact O-CG 3.29Å; F575-L579 WeakPolarHBondContact O-CG 3.47Å; F575-L579 PolarHBondContact O-N 3Å; V577-L579 PolarHBondContact O-N 2.92Å; L579-T582 WeakPolarHBondContact CA-OG1 3.2Å; L579-T582 PolarHBondContact O-OG1 2.82Å; L579-L615 HydrophobicContact CD2-CD2 4.49Å; L579-F618 HydrophobicContact CD2-CD1 4.16Å; L579-F618 HydrophobicContact CD2-CE1 4.13Å; L579-I621 HydrophobicContact CD1-CD1 4.05Å; L579-I621 HydrophobicContact CD2-CD1 4.36Å; L579-E657 HydrophobicContact CB-CB 3.88Å; L579-E657 HydrophobicContact CB-CG 3.84Å; L579-E657 HydrophobicContact CD1-CB 4.19Å; L579-M661 HydrophobicContact CD1-CG 3.73Å; L579-M661 HydrophobicContact CD1-SD 4.2Å
580R83.6Confident70.8Confident55 Ų5540.3 Ų40.321%0.20825%0.249CC..Hα-helixtrans-68.3-35.8179.9-179.4162.2-68.6-179.71.1113E29 L576 V577 A578 E657E29-R580 IonicContact OE1-CZ 3.94Å; E29-R580 IonicContact OE1-NH2 2.61Å; E29-R580 PolarHBondContact OE1-NH2 3.43Å; E29-R580 IonicContact OE2-CZ 2.84Å; E29-R580 VanDerWaalsContact OE2-CZ 3.23Å; E29-R580 IonicContact OE2-NH1 3.97Å; E29-R580 PolarHBondContact OE2-NH1 2.98Å; E29-R580 IonicContact OE2-NH2 3.25Å; E29-R580 PolarHBondContact OE2-NH2 3.33Å; L576-R580 VanDerWaalsContact O-CB 3.27Å; L576-R580 WeakPolarHBondContact O-CB 3.24Å; L576-R580 PolarHBondContact O-N 2.64Å; L576-R580 VanDerWaalsContact O-N 3.13Å; V577-R580 PolarHBondContact O-N 3.14Å; A578-R580 VanDerWaalsContact C-N 3.27Å; A578-R580 PolarHBondContact O-N 3.34Å; R580-E657 HydrophobicContact CB-CG 4.15Å; R580-E657 IonicContact CZ-OE1 3.71Å; R580-E657 IonicContact CZ-OE2 2.69Å; R580-E657 IonicContact NE-OE1 3.08Å; R580-E657 PolarHBondContact NE-OE1 3.01Å; R580-E657 IonicContact NE-OE2 3.86Å; R580-E657 IonicContact NH2-OE1 2.67Å; R580-E657 IonicContact NH2-OE2 3.6Å; R580-E657 PolarHBondContact NH2-OE2 3.25Å
581Y81.5Confident68.7Low54 Ų5443.1 Ų43.121%0.21227%0.272CS..Hα-helixtrans-99-10.6-176.8-72.1-86.7000113.5T26 F532 P535 V577 A578T26-Y581 HydrophobicContact CG2-CE2 4.13Å; F532-Y581 HydrophobicContact CE1-CE2 4.11Å; P535-Y581 HydrophobicContact CB-CD1 3.93Å; P535-Y581 HydrophobicContact CB-CD2 3.5Å; P535-Y581 HydrophobicContact CB-CE1 4.12Å; P535-Y581 HydrophobicContact CB-CE2 3.71Å; P535-Y581 HydrophobicContact CB-CG 3.6Å; P535-Y581 HydrophobicContact CG-CD1 3.42Å; P535-Y581 VanDerWaalsContact CG-CD1 3.42Å; P535-Y581 HydrophobicContact CG-CD2 3.92Å; P535-Y581 HydrophobicContact CG-CE1 3.4Å; P535-Y581 VanDerWaalsContact CG-CE1 3.4Å; P535-Y581 HydrophobicContact CG-CE2 3.9Å; P535-Y581 HydrophobicContact CG-CG 3.66Å; V577-Y581 HydrophobicContact CG1-CD2 4.17Å; V577-Y581 HydrophobicContact CG1-CE2 4.41Å; V577-Y581 WeakPolarHBondContact O-CD2 3.38Å; V577-Y581 PolarHBondContact O-N 3.3Å; A578-Y581 PolarHBondContact O-N 3.36Å
582T78.1Confident66.7Low15 Ų1546 Ų469%0.09229%0.292CS..SBendtrans-89.8107.7170.156.80000110.9P540 A578 L579 L612P540-T582 HydrophobicContact CG-CG2 3.73Å; A578-T582 WeakPolarHBondContact O-CB 3.2Å; A578-T582 VanDerWaalsContact O-CG2 3.31Å; A578-T582 WeakPolarHBondContact O-CG2 3.3Å; A578-T582 PolarHBondContact O-N 2.98Å; A578-T582 PolarHBondContact O-OG1 3.23Å; L579-T582 WeakPolarHBondContact CA-OG1 3.2Å; L579-T582 PolarHBondContact O-OG1 2.82Å; T582-L612 HydrophobicContact CG2-CD1 3.82Å
583S60Low64.6Low87 Ų8747.7 Ų47.761%0.60830%0.3SS*.PPolyproline II helixtrans-62.6144.3173.1-590000112.2R616S583-R616 PolarHBondContact O-NE 3.22Å
584P52.3Low62.3Low111 Ų11149.9 Ų49.972%0.72132%0.317SS*.PPolyproline II helixtrans-63.3150.4171.825.2-31.7000111.3
585P40.9Very low60.2Low68 Ų6859.1 Ų59.144%0.44235%0.352SS..PPolyproline II helixtrans-71.8147.7-162.227.4-33.4000114.1R616P585-R616 HydrophobicContact CG-CB 4.45Å
586S39.1Very low57.9Low64 Ų6464.2 Ų64.245%0.44838%0.38SS..PPolyproline II helixtrans-78.7139152.852.90000109.9S588 T589S586-S588 PolarHBondContact O-N 3.01Å; S586-T589 PolarHBondContact O-N 2.81Å; S586-T589 PolarHBondContact OG-OG1 3.4Å
587P42.5Very low55.9Low127 Ų12766.8 Ų66.883%0.82540%0.395SS*.THydrogen-bonded Turntrans-62.8-18.9-168.620-31.4000115.9
588S43.3Very low53.8Low92 Ų9275.2 Ų75.264%0.64343%0.434SS*.THydrogen-bonded Turntrans-80.3-28.1-175.9550000114.8S586S586-S588 PolarHBondContact O-N 3.01Å
589T45.4Very low51.8Low61 Ų6183.9 Ų83.937%0.37447%0.472SS..THydrogen-bonded Turntrans-82.2-28-170.4-340000113S586 A591 I593S586-T589 PolarHBondContact O-N 2.81Å; S586-T589 PolarHBondContact OG-OG1 3.4Å; T589-A591 PolarHBondContact O-N 2.84Å; T589-I593 HydrophobicContact CG2-CD1 4.21Å
590A41.3Very low49.6Very low28 Ų2888.2 Ų88.223%0.23150%0.495CS..Hα-helixtrans-69.9-33-175.100000113.6C594A590-C594 PolarHBondContact O-SG 3.2Å
591A44.5Very low47.9Very low61 Ų6189.7 Ų89.750%0.50451%0.514SS..Hα-helixtrans-73.1-30.3-175.600000113.6T589T589-A591 PolarHBondContact O-N 2.84Å
592T46.7Very low46.4Very low91 Ų9193.9 Ų93.956%0.55854%0.54SS*.Hα-helixtrans-75.2-42.5-178.3-46.50000111.3R595T592-R595 PolarHBondContact O-N 3.36Å
593I43Very low45.6Very low36 Ų3696.9 Ų96.919%0.18556%0.556CS.*Hα-helixtrans-70.3-40-174-61.7170.4000112.1T589 R595 D596 V597 D609 V613T589-I593 HydrophobicContact CG2-CD1 4.21Å; I593-R595 PolarHBondContact O-N 3.25Å; I593-D596 PolarHBondContact O-N 3.22Å; I593-D596 VanDerWaalsContact O-N 3.12Å; I593-V597 HydrophobicContact CG2-CG2 4.49Å; I593-D609 HydrophobicContact CG2-CB 3.92Å; I593-V613 HydrophobicContact CB-CG2 4.22Å; I593-V613 HydrophobicContact CD1-CG2 3.91Å; I593-V613 HydrophobicContact CG2-CG2 3.93Å
594C41.9Very low45.5Very low70 Ų7093.5 Ų93.547%0.47353%0.531SS..Hα-helixtrans-60.5-21.3-178.8-69.40000114.3A590A590-C594 PolarHBondContact O-SG 3.2Å
595R44.2Very low46.1Very low195 Ų19590.6 Ų90.674%0.73651%0.513SS*.Hα-helixtrans-79.8-29178.2-71.3-175.4-176.21390.9113.4T592 I593T592-R595 PolarHBondContact O-N 3.36Å; I593-R595 PolarHBondContact O-N 3.25Å
596D39.7Very low47.2Very low114 Ų11488.6 Ų88.661%0.6150%0.5SS*.Hα-helixtrans-86-23.5-175.5-72.3-30.6000113.2I593 Q598 K599I593-D596 PolarHBondContact O-N 3.22Å; I593-D596 VanDerWaalsContact O-N 3.12Å; D596-Q598 PolarHBondContact O-N 3Å; D596-K599 PolarHBondContact O-N 3.25Å
597V45.7Very low48.4Very low54 Ų5489.9 Ų89.933%0.32750%0.495SS..THydrogen-bonded Turntrans-60.6-27.2-179.9176.40000113.3I593 K599 V606 A610I593-V597 HydrophobicContact CG2-CG2 4.49Å; V597-K599 PolarHBondContact O-N 3.45Å; V597-V606 HydrophobicContact CB-CG1 4.35Å; V597-V606 HydrophobicContact CG1-CG1 4.38Å; V597-V606 HydrophobicContact CG2-CG1 4.18Å; V597-A610 HydrophobicContact CG2-CB 4.33Å
598Q43.2Very low49.5Very low179 Ų17984.3 Ų84.384%0.83646%0.457SS*.THydrogen-bonded Turntrans-71.4-10.5-176.5-79.5-174.3-22.100114.9D596D596-Q598 PolarHBondContact O-N 3Å
599K45.2Very low50.9Low182 Ų18282.9 Ų82.979%0.79144%0.442SS*.THydrogen-bonded Turntrans-104.9-27.3-172.1-74.3-176.8178.81760116.3D596 V597D596-K599 PolarHBondContact O-N 3.25Å; V597-K599 PolarHBondContact O-N 3.45Å
600N39.4Very low51.8Low108 Ų10881.5 Ų81.558%0.57844%0.437SS*.  trans-14091-175.4-83.1-17000112.1V606N600-V606 HydrophobicContact CB-CG2 4.48Å
601S48.1Very low52.9Low86 Ų8680.8 Ų80.860%0.60143%0.43SS*.THydrogen-bonded Turntrans-82.6-9.3-175.858.60000115.7R607S601-R607 VanDerWaalsContact O-CZ 3.31Å; S601-R607 PolarHBondContact O-NE 2.96Å; S601-R607 PolarHBondContact O-NH2 3.28Å
602N50.9Low54Low142 Ų14278.6 Ų78.676%0.75941%0.41SS*.THydrogen-bonded Turntrans-97.1-6.5-176.5-76.6-10.8000114.5
603D59.7Low55Low78 Ų7875 Ų7542%0.41739%0.387SS..  trans-88.3126.9-179.6-167.3-23.9000110.5S605 V606 R607D603-S605 PolarHBondContact O-N 3.32Å; D603-S605 WeakPolarHBondContact OD1-CB 3.49Å; D603-S605 PolarHBondContact OD1-N 2.86Å; D603-S605 PolarHBondContact OD1-OG 2.98Å; D603-S605 PolarHBondContact OD2-OG 3.12Å; D603-S605 VanDerWaalsContact OD2-OG 3.12Å; D603-V606 HydrophobicContact CB-CB 4.41Å; D603-V606 HydrophobicContact CB-CG2 4.01Å; D603-V606 PolarHBondContact O-N 2.7Å; D603-R607 PolarHBondContact O-N 2.9Å
604L59.3Low56Low17 Ų1774.1 Ų74.19%0.08939%0.385CS..Hα-helixtrans-61.3-33.2177.9-166.690.9000111.2D501 Y545 V606 R607 Y608D501-L604 VanDerWaalsContact CG-CD2 3.49Å; D501-L604 VanDerWaalsContact OD1-CB 3.29Å; D501-L604 WeakPolarHBondContact OD1-CB 3.31Å; D501-L604 WeakPolarHBondContact OD1-CD1 3.41Å; D501-L604 WeakPolarHBondContact OD1-CD2 3.31Å; D501-L604 VanDerWaalsContact OD1-CG 3.27Å; D501-L604 WeakPolarHBondContact OD1-CG 3.44Å; Y545-L604 HydrophobicContact CD2-CD1 3.63Å; Y545-L604 HydrophobicContact CE2-CD1 4.2Å; L604-V606 PolarHBondContact O-N 2.91Å; L604-R607 PolarHBondContact O-N 2.93Å; L604-Y608 VanDerWaalsContact O-CB 3.32Å; L604-Y608 WeakPolarHBondContact O-CB 3.46Å; L604-Y608 PolarHBondContact O-N 3.34Å
605S64.6Low57.2Low50 Ų5070.8 Ų70.835%0.3536%0.362SS..Hα-helixtrans-59.4-47.8178.562.30000111.4D603 R607 Y608 D609D603-S605 PolarHBondContact O-N 3.32Å; D603-S605 WeakPolarHBondContact OD1-CB 3.49Å; D603-S605 PolarHBondContact OD1-N 2.86Å; D603-S605 PolarHBondContact OD1-OG 2.98Å; D603-S605 PolarHBondContact OD2-OG 3.12Å; D603-S605 VanDerWaalsContact OD2-OG 3.12Å; S605-R607 VanDerWaalsContact C-N 3.34Å; S605-R607 PolarHBondContact O-N 3.16Å; S605-Y608 WeakPolarHBondContact O-CB 3.23Å; S605-Y608 PolarHBondContact O-N 3.4Å; S605-D609 PolarHBondContact O-N 2.63Å
606V64.5Low58.2Low26 Ų2665.1 Ų65.116%0.15834%0.341CS..Hα-helixtrans-62.9-39.9176.6-179.20000111.3V597 N600 D603 L604 D609 A610V597-V606 HydrophobicContact CB-CG1 4.35Å; V597-V606 HydrophobicContact CG1-CG1 4.38Å; V597-V606 HydrophobicContact CG2-CG1 4.18Å; N600-V606 HydrophobicContact CB-CG2 4.48Å; D603-V606 HydrophobicContact CB-CB 4.41Å; D603-V606 HydrophobicContact CB-CG2 4.01Å; D603-V606 PolarHBondContact O-N 2.7Å; L604-V606 PolarHBondContact O-N 2.91Å; V606-D609 PolarHBondContact O-N 3.21Å; V606-A610 WeakPolarHBondContact O-CB 3.49Å; V606-A610 PolarHBondContact O-N 3.3Å
607R62.8Low59.6Low90 Ų9064.7 Ų64.734%0.3434%0.335SS..Hα-helixtrans-69.8-38.1176.8-69.7-176.3-174.3179.81112.9S601 D603 L604 S605 A610 T611S601-R607 VanDerWaalsContact O-CZ 3.31Å; S601-R607 PolarHBondContact O-NE 2.96Å; S601-R607 PolarHBondContact O-NH2 3.28Å; D603-R607 PolarHBondContact O-N 2.9Å; L604-R607 PolarHBondContact O-N 2.93Å; S605-R607 VanDerWaalsContact C-N 3.34Å; S605-R607 PolarHBondContact O-N 3.16Å; R607-A610 PolarHBondContact O-N 3.4Å; R607-T611 VanDerWaalsContact O-CB 3.31Å; R607-T611 WeakPolarHBondContact O-CB 3.42Å; R607-T611 PolarHBondContact O-N 3.3Å; R607-T611 PolarHBondContact O-OG1 2.98Å
608Y66.4Low60.7Low11 Ų1165.5 Ų65.54%0.04333%0.334CS..Hα-helixtrans-61.7-49.1173.3165.7-109.1000110E537 P540 R541 L604 S605 A610 T611 L612E537-Y608 PolarHBondContact OE1-OH 3.48Å; E537-Y608 WeakPolarHBondContact OE2-CE1 3.23Å; E537-Y608 PolarHBondContact OE2-OH 3.17Å; P540-Y608 HydrophobicContact CB-CD2 4.5Å; P540-Y608 HydrophobicContact CB-CE2 4.06Å; R541-Y608 HydrophobicContact CB-CD2 4.41Å; R541-Y608 HydrophobicContact CG-CD2 3.24Å; R541-Y608 HydrophobicContact CG-CE2 3.71Å; R541-Y608 HydrophobicContact CG-CG 3.88Å; L604-Y608 VanDerWaalsContact O-CB 3.32Å; L604-Y608 WeakPolarHBondContact O-CB 3.46Å; L604-Y608 PolarHBondContact O-N 3.34Å; S605-Y608 WeakPolarHBondContact O-CB 3.23Å; S605-Y608 PolarHBondContact O-N 3.4Å; Y608-A610 VanDerWaalsContact C-N 3.29Å; Y608-A610 PolarHBondContact O-N 3.24Å; Y608-T611 CarbonylContact O-C 3.59Å; Y608-T611 PolarHBondContact O-N 2.91Å; Y608-L612 HydrophobicContact CE1-CD2 4.29Å; Y608-L612 HydrophobicContact CE2-CB 4.32Å; Y608-L612 HydrophobicContact CE2-CD1 4.26Å; Y608-L612 VanDerWaalsContact O-CB 3.32Å; Y608-L612 WeakPolarHBondContact O-CB 3.46Å; Y608-L612 PolarHBondContact O-N 3.3Å
609D72.4Confident61.8Low61 Ų6159 Ų5933%0.32631%0.308SS..Hα-helixtrans-60.2-42178-71.9-26.1000111.1I593 S605 V606 L612 V613I593-D609 HydrophobicContact CG2-CB 3.92Å; S605-D609 PolarHBondContact O-N 2.63Å; V606-D609 PolarHBondContact O-N 3.21Å; D609-L612 PolarHBondContact O-N 3.01Å; D609-V613 WeakPolarHBondContact O-CB 3.26Å; D609-V613 WeakPolarHBondContact O-CG2 3.38Å; D609-V613 PolarHBondContact O-N 3.04Å
610A65.4Low62.9Low32 Ų3251 Ų5126%0.26428%0.275SS..Hα-helixtrans-63-42172.800000112.5V597 V606 R607 Y608 S614V597-A610 HydrophobicContact CG2-CB 4.33Å; V606-A610 WeakPolarHBondContact O-CB 3.49Å; V606-A610 PolarHBondContact O-N 3.3Å; R607-A610 PolarHBondContact O-N 3.4Å; Y608-A610 VanDerWaalsContact C-N 3.29Å; Y608-A610 PolarHBondContact O-N 3.24Å; A610-S614 VanDerWaalsContact O-CB 3.22Å; A610-S614 WeakPolarHBondContact O-CB 3.47Å; A610-S614 PolarHBondContact O-N 2.89Å; A610-S614 PolarHBondContact O-OG 3.2Å
611T63.3Low64.5Low14 Ų1445.9 Ų45.99%0.08625%0.248CC..Hα-helixtrans-67.6-40.3178.1-56.70000111.3I543 A544 R607 Y608 S614 L615I543-T611 HydrophobicContact CG2-CG2 4.29Å; A544-T611 HydrophobicContact CB-CG2 4.08Å; A544-T611 VanDerWaalsContact CB-OG1 3.24Å; A544-T611 WeakPolarHBondContact CB-OG1 3.33Å; R607-T611 VanDerWaalsContact O-CB 3.31Å; R607-T611 WeakPolarHBondContact O-CB 3.42Å; R607-T611 PolarHBondContact O-N 3.3Å; R607-T611 PolarHBondContact O-OG1 2.98Å; Y608-T611 CarbonylContact O-C 3.59Å; Y608-T611 PolarHBondContact O-N 2.91Å; T611-S614 WeakPolarHBondContact CA-OG 3.43Å; T611-S614 PolarHBondContact O-N 3.25Å; T611-S614 PolarHBondContact O-OG 3.47Å; T611-S614 VanDerWaalsContact O-OG 3.09Å; T611-L615 HydrophobicContact CG2-CD1 3.91Å; T611-L615 HydrophobicContact CG2-CG 4.22Å; T611-L615 VanDerWaalsContact O-CB 3.24Å; T611-L615 WeakPolarHBondContact O-CB 3.31Å; T611-L615 VanDerWaalsContact O-CG 3.23Å; T611-L615 WeakPolarHBondContact O-CG 3.33Å; T611-L615 PolarHBondContact O-N 2.97Å
612L67.3Low65.6Low15 Ų1542.8 Ų42.88%0.07923%0.23CC..Hα-helixtrans-67.8-44.2178-170.475.3000110.8P540 T582 Y608 D609 R616P540-L612 HydrophobicContact CG-CD1 4.42Å; T582-L612 HydrophobicContact CG2-CD1 3.82Å; Y608-L612 HydrophobicContact CE1-CD2 4.29Å; Y608-L612 HydrophobicContact CE2-CB 4.32Å; Y608-L612 HydrophobicContact CE2-CD1 4.26Å; Y608-L612 VanDerWaalsContact O-CB 3.32Å; Y608-L612 WeakPolarHBondContact O-CB 3.46Å; Y608-L612 PolarHBondContact O-N 3.3Å; D609-L612 PolarHBondContact O-N 3.01Å; L612-R616 VanDerWaalsContact O-CB 3.27Å; L612-R616 WeakPolarHBondContact O-CB 3.32Å; L612-R616 WeakPolarHBondContact O-CD 3.44Å; L612-R616 WeakPolarHBondContact O-CG 3.29Å; L612-R616 PolarHBondContact O-N 3.41Å
613V67.2Low66.6Low14 Ų1441.3 Ų41.39%0.08522%0.218CC..Hα-helixtrans-63.2-44.2173.9171.20000110.6I593 D609 R616 Q617I593-V613 HydrophobicContact CB-CG2 4.22Å; I593-V613 HydrophobicContact CD1-CG2 3.91Å; I593-V613 HydrophobicContact CG2-CG2 3.93Å; D609-V613 WeakPolarHBondContact O-CB 3.26Å; D609-V613 WeakPolarHBondContact O-CG2 3.38Å; D609-V613 PolarHBondContact O-N 3.04Å; V613-R616 WeakPolarHBondContact O-CB 3.41Å; V613-R616 PolarHBondContact O-N 3.28Å; V613-Q617 HydrophobicContact CG1-CG 4.47Å; V613-Q617 WeakPolarHBondContact O-CB 3.46Å; V613-Q617 VanDerWaalsContact O-CG 3.29Å; V613-Q617 WeakPolarHBondContact O-CG 3.42Å; V613-Q617 PolarHBondContact O-N 3.05Å
614S65.1Low67.4Low19 Ų1938.8 Ų38.813%0.13320%0.204CC..Hα-helixtrans-71.2-34.318054.30000113.4A610 T611 R616 Q617 F618 S619 T620A610-S614 VanDerWaalsContact O-CB 3.22Å; A610-S614 WeakPolarHBondContact O-CB 3.47Å; A610-S614 PolarHBondContact O-N 2.89Å; A610-S614 PolarHBondContact O-OG 3.2Å; T611-S614 WeakPolarHBondContact CA-OG 3.43Å; T611-S614 PolarHBondContact O-N 3.25Å; T611-S614 PolarHBondContact O-OG 3.47Å; T611-S614 VanDerWaalsContact O-OG 3.09Å; S614-R616 VanDerWaalsContact C-N 3.34Å; S614-Q617 CarbonylContact O-C 3.56Å; S614-Q617 PolarHBondContact O-N 2.88Å; S614-F618 CarbonylContact O-C 3.39Å; S614-F618 WeakPolarHBondContact O-CA 3.48Å; S614-F618 PolarHBondContact O-N 2.66Å; S614-S619 VanDerWaalsContact CA-OG 3.25Å; S614-S619 WeakPolarHBondContact CA-OG 3.49Å; S614-S619 WeakPolarHBondContact CB-OG 3.3Å; S614-S619 PolarHBondContact O-N 3.03Å; S614-S619 PolarHBondContact O-OG 3.34Å; S614-T620 WeakPolarHBondContact CB-OG1 3.48Å; S614-T620 PolarHBondContact O-N 2.84Å; S614-T620 PolarHBondContact O-OG1 2.97Å; S614-T620 PolarHBondContact OG-OG1 3.35Å
615L67Low68.3Low0 Ų038.1 Ų38.10%020%0.201CC..Hα-helixtrans-66.3-40.8172-79.1170.6000110.3P540 I543 F575 A578 L579 T611 Q617 F618 T620P540-L615 HydrophobicContact CB-CD1 3.74Å; P540-L615 HydrophobicContact CG-CD1 4.1Å; I543-L615 HydrophobicContact CD1-CD1 4.35Å; F575-L615 HydrophobicContact CD1-CD2 4.07Å; F575-L615 HydrophobicContact CE1-CD2 3.93Å; A578-L615 HydrophobicContact CB-CD1 4.33Å; L579-L615 HydrophobicContact CD2-CD2 4.49Å; T611-L615 HydrophobicContact CG2-CD1 3.91Å; T611-L615 HydrophobicContact CG2-CG 4.22Å; T611-L615 VanDerWaalsContact O-CB 3.24Å; T611-L615 WeakPolarHBondContact O-CB 3.31Å; T611-L615 VanDerWaalsContact O-CG 3.23Å; T611-L615 WeakPolarHBondContact O-CG 3.33Å; T611-L615 PolarHBondContact O-N 2.97Å; L615-Q617 VanDerWaalsContact C-N 3.27Å; L615-Q617 PolarHBondContact O-N 3.22Å; L615-F618 VanDerWaalsContact O-CD1 3.28Å; L615-F618 WeakPolarHBondContact O-CD1 3.27Å; L615-F618 PolarHBondContact O-N 3.3Å; L615-F618 VanDerWaalsContact O-N 3.15Å; L615-T620 HydrophobicContact CD2-CG2 4.23Å; L615-T620 HydrophobicContact CG-CG2 4.45Å; L615-T620 PolarHBondContact N-OG1 2.87Å
616R66.1Low68.7Low75 Ų7542.7 Ų42.728%0.28322%0.216SC..Hα-helixtrans-66.7-27174.5-76.1173.9178170.84.8113.4S583 P585 L612 V613 S614S583-R616 PolarHBondContact O-NE 3.22Å; P585-R616 HydrophobicContact CG-CB 4.45Å; L612-R616 VanDerWaalsContact O-CB 3.27Å; L612-R616 WeakPolarHBondContact O-CB 3.32Å; L612-R616 WeakPolarHBondContact O-CD 3.44Å; L612-R616 WeakPolarHBondContact O-CG 3.29Å; L612-R616 PolarHBondContact O-N 3.41Å; V613-R616 WeakPolarHBondContact O-CB 3.41Å; V613-R616 PolarHBondContact O-N 3.28Å; S614-R616 VanDerWaalsContact C-N 3.34Å
617Q68.4Low69Low105 Ų10542.7 Ų42.749%0.49122%0.217SC..THydrogen-bonded Turntrans-95.51.2173.9-70.1176.7-5.300112.9V613 S614 L615 S619V613-Q617 HydrophobicContact CG1-CG 4.47Å; V613-Q617 WeakPolarHBondContact O-CB 3.46Å; V613-Q617 VanDerWaalsContact O-CG 3.29Å; V613-Q617 WeakPolarHBondContact O-CG 3.42Å; V613-Q617 PolarHBondContact O-N 3.05Å; S614-Q617 CarbonylContact O-C 3.56Å; S614-Q617 PolarHBondContact O-N 2.88Å; L615-Q617 VanDerWaalsContact C-N 3.27Å; L615-Q617 PolarHBondContact O-N 3.22Å; Q617-S619 PolarHBondContact O-N 2.7Å
618F67.9Low69.6Low71 Ų7139.5 Ų39.531%0.31121%0.206SC..THydrogen-bonded Turntrans58.32.9-172-47.2-53.3000116.3L579 S614 L615 T620 I621 G622 V660 E664L579-F618 HydrophobicContact CD2-CD1 4.16Å; L579-F618 HydrophobicContact CD2-CE1 4.13Å; S614-F618 CarbonylContact O-C 3.39Å; S614-F618 WeakPolarHBondContact O-CA 3.48Å; S614-F618 PolarHBondContact O-N 2.66Å; L615-F618 VanDerWaalsContact O-CD1 3.28Å; L615-F618 WeakPolarHBondContact O-CD1 3.27Å; L615-F618 PolarHBondContact O-N 3.3Å; L615-F618 VanDerWaalsContact O-N 3.15Å; F618-T620 VanDerWaalsContact C-N 3.3Å; F618-T620 PolarHBondContact O-N 2.77Å; F618-I621 HydrophobicContact CB-CD1 4.23Å; F618-I621 HydrophobicContact CD1-CD1 4.24Å; F618-I621 WeakPolarHBondContact O-CB 3.39Å; F618-I621 PolarHBondContact O-N 3.14Å; F618-G622 PolarHBondContact O-N 3.38Å; F618-V660 HydrophobicContact CD1-CG1 3.39Å; F618-V660 HydrophobicContact CD2-CG1 4.17Å; F618-V660 HydrophobicContact CE1-CG1 3.48Å; F618-V660 VanDerWaalsContact CE1-CG1 3.48Å; F618-V660 HydrophobicContact CE2-CG1 4.22Å; F618-V660 HydrophobicContact CG-CG1 3.76Å; F618-V660 HydrophobicContact CZ-CG1 3.89Å; F618-V660 HydrophobicContact CZ-CG2 4.38Å; F618-E664 HydrophobicContact CB-CG 4.14Å
619S66.5Low69.8Low42 Ų4240.2 Ų40.229%0.29421%0.211SC..Hα-helixtrans-65.9-26.3179.854.80000113.9S614 Q617 I621 G622 H623S614-S619 VanDerWaalsContact CA-OG 3.25Å; S614-S619 WeakPolarHBondContact CA-OG 3.49Å; S614-S619 WeakPolarHBondContact CB-OG 3.3Å; S614-S619 PolarHBondContact O-N 3.03Å; S614-S619 PolarHBondContact O-OG 3.34Å; Q617-S619 PolarHBondContact O-N 2.7Å; S619-I621 PolarHBondContact O-N 3.02Å; S619-G622 PolarHBondContact O-N 2.8Å; S619-H623 PolarHBondContact O-CD2 2.93Å; S619-H623 VanDerWaalsContact O-CD2 3.27Å; S619-H623 PolarHBondContact O-N 3.23Å
620T68.2Low69.4Low16 Ų1637.5 Ų37.510%0.09820%0.196CC..Hα-helixtrans-61-33.8172.1-36.80000111.7I543 F575 S614 L615 F618 H623 L624I543-T620 HydrophobicContact CG2-CG2 4.29Å; F575-T620 HydrophobicContact CE1-CG2 4.2Å; F575-T620 HydrophobicContact CZ-CG2 4.42Å; S614-T620 WeakPolarHBondContact CB-OG1 3.48Å; S614-T620 PolarHBondContact O-N 2.84Å; S614-T620 PolarHBondContact O-OG1 2.97Å; S614-T620 PolarHBondContact OG-OG1 3.35Å; L615-T620 HydrophobicContact CD2-CG2 4.23Å; L615-T620 HydrophobicContact CG-CG2 4.45Å; L615-T620 PolarHBondContact N-OG1 2.87Å; F618-T620 VanDerWaalsContact C-N 3.3Å; F618-T620 PolarHBondContact O-N 2.77Å; T620-H623 PolarHBondContact O-N 3.11Å; T620-L624 WeakPolarHBondContact O-CB 3.3Å; T620-L624 PolarHBondContact O-N 2.86Å
621I73.3Confident69.1Low0 Ų038.8 Ų38.80%020%0.202CC..Hα-helixtrans-69.6-42.3178.3-57.7170.7000109.2F575 L579 F618 S619 L624 Y625 V660 M661 E664F575-I621 HydrophobicContact CD1-CG1 4.44Å; F575-I621 HydrophobicContact CE1-CG1 4.48Å; L579-I621 HydrophobicContact CD1-CD1 4.05Å; L579-I621 HydrophobicContact CD2-CD1 4.36Å; F618-I621 HydrophobicContact CB-CD1 4.23Å; F618-I621 HydrophobicContact CD1-CD1 4.24Å; F618-I621 WeakPolarHBondContact O-CB 3.39Å; F618-I621 PolarHBondContact O-N 3.14Å; S619-I621 PolarHBondContact O-N 3.02Å; I621-L624 WeakPolarHBondContact O-CB 3.33Å; I621-L624 PolarHBondContact O-N 3.35Å; I621-Y625 HydrophobicContact CG2-CD2 3.83Å; I621-Y625 HydrophobicContact CG2-CE2 3.27Å; I621-Y625 WeakPolarHBondContact O-CD2 3.36Å; I621-Y625 PolarHBondContact O-N 3.32Å; I621-V660 HydrophobicContact CD1-CG1 4.07Å; I621-M661 HydrophobicContact CD1-CG 4.01Å; I621-E664 HydrophobicContact CB-CB 4.34Å; I621-E664 HydrophobicContact CG2-CB 3.78Å; I621-E664 HydrophobicContact CG2-CG 4.41Å
622G70.9Confident68.8Low21 Ų2146.3 Ų46.322%0.21623%0.229CC..Hα-helixtrans-56-50.2171.800000112.1F618 S619 L624 Y625 E626F618-G622 PolarHBondContact O-N 3.38Å; S619-G622 PolarHBondContact O-N 2.8Å; G622-L624 VanDerWaalsContact C-N 3.34Å; G622-L624 PolarHBondContact O-N 3.47Å; G622-Y625 PolarHBondContact O-N 3.49Å; G622-Y625 VanDerWaalsContact O-N 3.09Å; G622-E626 WeakPolarHBondContact O-CG 3.4Å; G622-E626 PolarHBondContact O-N 2.92Å
623H71.7Confident68.2Low111 Ų11150.2 Ų50.251%0.51427%0.273SS..Hα-helixtrans-61.7-38.3176.5-71.9-49.9000113.3S619 T620 Y625 E626 S627S619-H623 PolarHBondContact O-CD2 2.93Å; S619-H623 VanDerWaalsContact O-CD2 3.27Å; S619-H623 PolarHBondContact O-N 3.23Å; T620-H623 PolarHBondContact O-N 3.11Å; H623-Y625 VanDerWaalsContact C-N 3.3Å; H623-Y625 PolarHBondContact O-N 2.74Å; H623-E626 IonicContact CE1-OE2 3.22Å; H623-E626 IonicContact ND1-OE2 2.76Å; H623-E626 PolarHBondContact ND1-OE2 3.34Å; H623-E626 VanDerWaalsContact ND1-OE2 3.08Å; H623-E626 PolarHBondContact O-N 3.4Å; H623-S627 PolarHBondContact O-N 3.48Å
624L77.2Confident67.7Low24 Ų2453.4 Ų53.413%0.12631%0.309CS..Hα-helixtrans-58.1-45172.517669.4000110.7F575 T620 I621 G622 S627 F628 F646F575-L624 HydrophobicContact CD2-CD2 4.15Å; F575-L624 HydrophobicContact CE1-CD2 4.46Å; F575-L624 HydrophobicContact CE2-CD1 4.37Å; F575-L624 HydrophobicContact CE2-CD2 3.68Å; F575-L624 HydrophobicContact CZ-CB 4.4Å; F575-L624 HydrophobicContact CZ-CD2 3.85Å; F575-L624 HydrophobicContact CZ-CG 4.5Å; T620-L624 WeakPolarHBondContact O-CB 3.3Å; T620-L624 PolarHBondContact O-N 2.86Å; I621-L624 WeakPolarHBondContact O-CB 3.33Å; I621-L624 PolarHBondContact O-N 3.35Å; G622-L624 VanDerWaalsContact C-N 3.34Å; G622-L624 PolarHBondContact O-N 3.47Å; L624-S627 WeakPolarHBondContact O-CB 3.14Å; L624-S627 PolarHBondContact O-N 2.83Å; L624-S627 PolarHBondContact O-OG 3.02Å; L624-F628 HydrophobicContact CD1-CE1 3.96Å; L624-F628 HydrophobicContact CD1-CZ 4.17Å; L624-F628 HydrophobicContact CD2-CZ 4.39Å; L624-F628 HydrophobicContact CG-CE1 4.16Å; L624-F628 HydrophobicContact CG-CZ 3.98Å; L624-F628 WeakPolarHBondContact O-CD1 3.17Å; L624-F646 HydrophobicContact CD2-CE2 4.13Å; L624-F646 HydrophobicContact CD2-CZ 3.84Å
625Y78.3Confident67.5Low4 Ų455.5 Ų55.52%0.01633%0.327CS..Hα-helixtrans-73-36.9-179.9-62.9-42.8000113.8I621 G622 H623 S627 F628 F646 M661 E664 L665 P666 L669I621-Y625 HydrophobicContact CG2-CD2 3.83Å; I621-Y625 HydrophobicContact CG2-CE2 3.27Å; I621-Y625 WeakPolarHBondContact O-CD2 3.36Å; I621-Y625 PolarHBondContact O-N 3.32Å; G622-Y625 PolarHBondContact O-N 3.49Å; G622-Y625 VanDerWaalsContact O-N 3.09Å; H623-Y625 VanDerWaalsContact C-N 3.3Å; H623-Y625 PolarHBondContact O-N 2.74Å; Y625-S627 PolarHBondContact O-N 3.01Å; Y625-F628 AromaticContact CD1-CD2 3.89Å; Y625-F628 HydrophobicContact CD1-CD2 3.89Å; Y625-F628 AromaticContact CD1-CE2 3.61Å; Y625-F628 HydrophobicContact CD1-CE2 3.61Å; Y625-F628 HydrophobicContact CD1-CZ 4.41Å; Y625-F628 AromaticContact CE1-CE2 4Å; Y625-F628 HydrophobicContact CE1-CE2 4Å; Y625-F628 WeakPolarHBondContact O-CB 3.42Å; Y625-F628 PolarHBondContact O-N 3.1Å; Y625-F646 AromaticContact CE1-CE1 3.84Å; Y625-F646 HydrophobicContact CE1-CE1 3.84Å; Y625-F646 HydrophobicContact CE1-CZ 4.35Å; Y625-M661 WeakPolarHBondContact CE2-O 3.4Å; Y625-M661 PolarHBondContact OH-O 2.98Å; Y625-E664 WeakPolarHBondContact CD2-O 3.38Å; Y625-E664 HydrophobicContact CE2-CB 4.11Å; Y625-E664 WeakPolarHBondContact CE2-O 3.49Å; Y625-L665 HydrophobicContact CD1-CD1 4.5Å; Y625-L665 HydrophobicContact CE1-CD1 3.93Å; Y625-L665 HydrophobicContact CE2-CB 4.4Å; Y625-L665 HydrophobicContact CE2-CD1 4.31Å; Y625-P666 VanDerWaalsContact CB-CD 3.45Å; Y625-P666 VanDerWaalsContact CD2-CD 3.47Å; Y625-P666 HydrophobicContact CD2-CG 4.35Å; Y625-P666 HydrophobicContact CG-CG 4.22Å; Y625-L669 HydrophobicContact CD1-CD2 4.14Å
626E72.2Confident67.3Low145 Ų14560.5 Ų60.568%0.67835%0.354SS*.Hα-helixtrans-58-28.6169.7-71.9174.8167.700111.6G622 H623 F628G622-E626 WeakPolarHBondContact O-CG 3.4Å; G622-E626 PolarHBondContact O-N 2.92Å; H623-E626 IonicContact CE1-OE2 3.22Å; H623-E626 IonicContact ND1-OE2 2.76Å; H623-E626 PolarHBondContact ND1-OE2 3.34Å; H623-E626 VanDerWaalsContact ND1-OE2 3.08Å; H623-E626 PolarHBondContact O-N 3.4Å; E626-F628 VanDerWaalsContact C-N 3.26Å; E626-F628 PolarHBondContact O-N 3.15Å
627S70.9Confident67.5Low26 Ų2660.6 Ų60.618%0.18236%0.355CS..THydrogen-bonded Turntrans-74.7-10.3175.391.10000114R555 H623 L624 Y625 D629R555-S627 VanDerWaalsContact CZ-O 3.23Å; R555-S627 PolarHBondContact NE-O 2.9Å; R555-S627 PolarHBondContact NH2-O 3.34Å; H623-S627 PolarHBondContact O-N 3.48Å; L624-S627 WeakPolarHBondContact O-CB 3.14Å; L624-S627 PolarHBondContact O-N 2.83Å; L624-S627 PolarHBondContact O-OG 3.02Å; Y625-S627 PolarHBondContact O-N 3.01Å; S627-D629 PolarHBondContact O-N 2.58Å
628F75Confident67.4Low23 Ų2358.8 Ų58.810%0.10135%0.352CS..  trans-8598.1177.9-66.1-10.8000110.8L624 Y625 E626 F642 V643 F646 L669L624-F628 HydrophobicContact CD1-CE1 3.96Å; L624-F628 HydrophobicContact CD1-CZ 4.17Å; L624-F628 HydrophobicContact CD2-CZ 4.39Å; L624-F628 HydrophobicContact CG-CE1 4.16Å; L624-F628 HydrophobicContact CG-CZ 3.98Å; L624-F628 WeakPolarHBondContact O-CD1 3.17Å; Y625-F628 AromaticContact CD1-CD2 3.89Å; Y625-F628 HydrophobicContact CD1-CD2 3.89Å; Y625-F628 AromaticContact CD1-CE2 3.61Å; Y625-F628 HydrophobicContact CD1-CE2 3.61Å; Y625-F628 HydrophobicContact CD1-CZ 4.41Å; Y625-F628 AromaticContact CE1-CE2 4Å; Y625-F628 HydrophobicContact CE1-CE2 4Å; Y625-F628 WeakPolarHBondContact O-CB 3.42Å; Y625-F628 PolarHBondContact O-N 3.1Å; E626-F628 VanDerWaalsContact C-N 3.26Å; E626-F628 PolarHBondContact O-N 3.15Å; F628-F642 AromaticContact CE1-CE1 3.93Å; F628-F642 HydrophobicContact CE1-CE1 3.93Å; F628-F642 HydrophobicContact CZ-CE1 4.43Å; F628-V643 HydrophobicContact CB-CG1 4.44Å; F628-V643 HydrophobicContact CB-CG2 3.97Å; F628-V643 HydrophobicContact CD1-CG2 4.23Å; F628-V643 HydrophobicContact CD2-CG1 3.92Å; F628-V643 HydrophobicContact CD2-CG2 4.26Å; F628-V643 HydrophobicContact CE2-CG1 4.47Å; F628-V643 HydrophobicContact CG-CG1 4.33Å; F628-V643 HydrophobicContact CG-CG2 3.91Å; F628-F646 AromaticContact CE2-CD1 3.75Å; F628-F646 HydrophobicContact CE2-CD1 3.75Å; F628-F646 AromaticContact CE2-CE1 3.92Å; F628-F646 HydrophobicContact CE2-CE1 3.92Å; F628-F646 HydrophobicContact CE2-CG 4.18Å; F628-F646 HydrophobicContact CE2-CZ 4.42Å; F628-F646 AromaticContact CZ-CD1 3.95Å; F628-F646 HydrophobicContact CZ-CD1 3.95Å; F628-F646 HydrophobicContact CZ-CD2 4.05Å; F628-F646 HydrophobicContact CZ-CE1 4.07Å; F628-F646 HydrophobicContact CZ-CE2 4.13Å; F628-F646 AromaticContact CZ-CG 3.96Å; F628-F646 HydrophobicContact CZ-CG 3.96Å; F628-F646 HydrophobicContact CZ-CZ 4.14Å; F628-L669 HydrophobicContact CB-CD1 3.75Å; F628-L669 HydrophobicContact CD2-CD1 4.2Å; F628-L669 HydrophobicContact CD2-CD2 3.76Å; F628-L669 HydrophobicContact CE2-CD2 4.48Å
629D70.9Confident67.7Low26 Ų2655.7 Ų55.714%0.13934%0.339CS..  trans-99.7118.8173.7-158-16.6000109.4R555 S627 R632 S639R555-D629 IonicContact NH1-OD2 2.82Å; R555-D629 PolarHBondContact NH1-OD2 2.98Å; S627-D629 PolarHBondContact O-N 2.58Å; D629-R632 IonicContact OD2-CZ 2.61Å; D629-R632 IonicContact OD2-NE 3.43Å; D629-R632 PolarHBondContact OD2-NE 3.42Å; D629-R632 IonicContact OD2-NH2 3.85Å; D629-R632 PolarHBondContact OD2-NH2 2.93Å; D629-S639 PolarHBondContact O-OG 3.2Å
630V64.6Low68.3Low5 Ų554.1 Ų54.13%0.0333%0.327CS..  trans-105.2-35.2-173.5-175.10000110.3Y637 V640 V643 L669 V673 A676V630-Y637 PolarHBondContact O-N 3.35Å; V630-Y637 VanDerWaalsContact O-N 3.16Å; V630-V640 HydrophobicContact CB-CG2 4.44Å; V630-V640 HydrophobicContact CG1-CB 4.27Å; V630-V640 HydrophobicContact CG1-CG1 4Å; V630-V640 HydrophobicContact CG1-CG2 3.61Å; V630-V640 WeakPolarHBondContact O-CG2 3.29Å; V630-V643 HydrophobicContact CG2-CG1 4.44Å; V630-V643 HydrophobicContact CG2-CG2 4.49Å; V630-L669 HydrophobicContact CG2-CD1 4.1Å; V630-V673 HydrophobicContact CG1-CG2 4.15Å; V630-V673 HydrophobicContact CG2-CG2 3.94Å; V630-A676 HydrophobicContact CG1-CB 3.56Å
631C58.2Low69Low58 Ų5856.7 Ų56.739%0.39234%0.341SS..EExtended strand (participates in β ladder)trans-146.1124.9-175.2-69.30000111.5
632R58.2Low69.5Low172 Ų17257.3 Ų57.365%0.64934%0.344SS*.EExtended strand (participates in β ladder)trans-124.7129.4163.5-77.7-168.4-176.2-168.3-1.8110.5D629 G634 A635D629-R632 IonicContact OD2-CZ 2.61Å; D629-R632 IonicContact OD2-NE 3.43Å; D629-R632 PolarHBondContact OD2-NE 3.42Å; D629-R632 IonicContact OD2-NH2 3.85Å; D629-R632 PolarHBondContact OD2-NH2 2.93Å; R632-G634 PolarHBondContact O-N 3.17Å; R632-G634 VanDerWaalsContact O-N 3.13Å; R632-A635 PolarHBondContact O-N 3.03Å
633G54.8Low70.2Confident97 Ų9756.4 Ų56.4100%133%0.334SS*.THydrogen-bonded Turntrans61.221.9173.700000115.4
634G56.8Low70.9Confident81 Ų8151.1 Ų51.184%0.83531%0.31SS*.THydrogen-bonded Turntrans89.4-1.6-179.800000115.7R632R632-G634 PolarHBondContact O-N 3.17Å; R632-G634 VanDerWaalsContact O-N 3.13Å
635A60.1Low71.4Confident63 Ų6352 Ų5252%0.52131%0.314SS..EExtended strand (participates in β ladder)trans-97.4139.4174.300000111.7R632 Y637R632-A635 PolarHBondContact O-N 3.03Å; A635-Y637 PolarHBondContact O-N 2.88Å
636L62.4Low71.9Confident105 Ų10551.9 Ų51.955%0.5531%0.313SS..EExtended strand (participates in β ladder)trans-69.6124.8172.4-65.7171.7000109.9V640 A676L636-V640 HydrophobicContact CD2-CG2 4.35Å; L636-A676 VanDerWaalsContact CD2-C 3.5Å; L636-A676 HydrophobicContact CD2-CB 3.29Å; L636-A676 WeakPolarHBondContact CD2-O 3.4Å
637Y70.7Confident72.7Confident78 Ų7845 Ų4531%0.30628%0.281SS..PPolyproline II helixtrans-79.6144174.5-139.5-111.9000110.3R555 V630 A635 S639 V640R555-Y637 HydrophobicContact CB-CE1 4.28Å; V630-Y637 PolarHBondContact O-N 3.35Å; V630-Y637 VanDerWaalsContact O-N 3.16Å; A635-Y637 PolarHBondContact O-N 2.88Å; Y637-S639 WeakPolarHBondContact CD1-OG 3.4Å; Y637-S639 PolarHBondContact O-N 3.3Å; Y637-V640 WeakPolarHBondContact O-CG2 3.41Å; Y637-V640 PolarHBondContact O-N 2.81Å
638P66.7Low73.6Confident66 Ų6645.1 Ų45.143%0.42928%0.281SS..THydrogen-bonded Turntrans-57.5-17.8178.5-27.336.4000114.7V560 V640V560-P638 HydrophobicContact CG2-CB 3.3Å; V560-P638 HydrophobicContact CG2-CG 4.42Å; P638-V640 VanDerWaalsContact C-N 3.32Å; P638-V640 PolarHBondContact O-N 3.24Å
639S74.8Confident74.2Confident6 Ų646.9 Ų46.94%0.04229%0.29CS..THydrogen-bonded Turntrans-71.4-14.6174.951.10000115D629 Y637 N641 F642 V643D629-S639 PolarHBondContact O-OG 3.2Å; Y637-S639 WeakPolarHBondContact CD1-OG 3.4Å; Y637-S639 PolarHBondContact O-N 3.3Å; S639-N641 VanDerWaalsContact C-N 3.25Å; S639-N641 PolarHBondContact O-N 3.25Å; S639-F642 WeakPolarHBondContact O-CA 3.29Å; S639-F642 WeakPolarHBondContact O-CB 3.3Å; S639-F642 PolarHBondContact O-N 2.92Å; S639-V643 PolarHBondContact O-N 2.84Å
640V79.3Confident75.1Confident9 Ų945.6 Ų45.66%0.05528%0.283CS..Hα-helixtrans-54.8-43.2-176.1178.50000111.1V630 L636 Y637 P638 F642 V643 G644 A676 L680V630-V640 HydrophobicContact CB-CG2 4.44Å; V630-V640 HydrophobicContact CG1-CB 4.27Å; V630-V640 HydrophobicContact CG1-CG1 4Å; V630-V640 HydrophobicContact CG1-CG2 3.61Å; V630-V640 WeakPolarHBondContact O-CG2 3.29Å; L636-V640 HydrophobicContact CD2-CG2 4.35Å; Y637-V640 WeakPolarHBondContact O-CG2 3.41Å; Y637-V640 PolarHBondContact O-N 2.81Å; P638-V640 VanDerWaalsContact C-N 3.32Å; P638-V640 PolarHBondContact O-N 3.24Å; V640-F642 PolarHBondContact O-N 3.29Å; V640-V643 PolarHBondContact O-N 2.99Å; V640-G644 PolarHBondContact O-N 2.91Å; V640-A676 HydrophobicContact CG1-CB 3.8Å; V640-A676 HydrophobicContact CG2-CB 4.2Å; V640-L680 HydrophobicContact CG1-CD1 3.58Å
641N81.1Confident76.2Confident71 Ų7145.6 Ų45.638%0.3828%0.283SS..Hα-helixtrans-64.5-40.2177.7-172.822.1000112.3S639 G644 I645S639-N641 VanDerWaalsContact C-N 3.25Å; S639-N641 PolarHBondContact O-N 3.25Å; N641-G644 PolarHBondContact O-N 3.12Å; N641-I645 WeakPolarHBondContact O-CB 3.19Å; N641-I645 VanDerWaalsContact O-CG1 3.26Å; N641-I645 WeakPolarHBondContact O-CG1 3.3Å; N641-I645 PolarHBondContact O-N 3.22Å; N641-I645 WeakPolarHBondContact OD1-CD1 3.39Å
642F84.6Confident77.5Confident13 Ų1352.6 Ų52.66%0.05730%0.302CS..Hα-helixtrans-59.8-46.8174.1168.5-83.4000111.5C559 G564 L567 A568 L571 F628 S639 V640 I645 F646C559-F642 HydrophobicContact CB-CB 3.83Å; C559-F642 HydrophobicContact CB-CD1 4.5Å; C559-F642 HydrophobicContact CB-CD2 4.26Å; C559-F642 HydrophobicContact CB-CG 3.97Å; C559-F642 WeakPolarHBondContact O-CB 3.41Å; G564-F642 VanDerWaalsContact O-CD2 3.23Å; G564-F642 WeakPolarHBondContact O-CD2 3Å; L567-F642 HydrophobicContact CB-CE2 4.23Å; A568-F642 HydrophobicContact CB-CD2 3.73Å; A568-F642 HydrophobicContact CB-CE2 3.8Å; A568-F642 HydrophobicContact CB-CG 4.22Å; A568-F642 HydrophobicContact CB-CZ 4.35Å; A568-F642 WeakPolarHBondContact CB-O 3.49Å; L571-F642 HydrophobicContact CD1-CE2 4.45Å; L571-F642 HydrophobicContact CD1-CZ 3.7Å; F628-F642 AromaticContact CE1-CE1 3.93Å; F628-F642 HydrophobicContact CE1-CE1 3.93Å; F628-F642 HydrophobicContact CZ-CE1 4.43Å; S639-F642 WeakPolarHBondContact O-CA 3.29Å; S639-F642 WeakPolarHBondContact O-CB 3.3Å; S639-F642 PolarHBondContact O-N 2.92Å; V640-F642 PolarHBondContact O-N 3.29Å; F642-I645 PolarHBondContact O-N 3.46Å; F642-F646 WeakPolarHBondContact O-CB 3.38Å; F642-F646 PolarHBondContact O-N 2.9Å
643V86Confident78.8Confident1 Ų145.3 Ų45.31%0.00628%0.275CS..Hα-helixtrans-64.6-43.3178.5-179.40000110.4F628 V630 S639 V640 I645 F646 L647 L669 V673F628-V643 HydrophobicContact CB-CG1 4.44Å; F628-V643 HydrophobicContact CB-CG2 3.97Å; F628-V643 HydrophobicContact CD1-CG2 4.23Å; F628-V643 HydrophobicContact CD2-CG1 3.92Å; F628-V643 HydrophobicContact CD2-CG2 4.26Å; F628-V643 HydrophobicContact CE2-CG1 4.47Å; F628-V643 HydrophobicContact CG-CG1 4.33Å; F628-V643 HydrophobicContact CG-CG2 3.91Å; V630-V643 HydrophobicContact CG2-CG1 4.44Å; V630-V643 HydrophobicContact CG2-CG2 4.49Å; S639-V643 PolarHBondContact O-N 2.84Å; V640-V643 PolarHBondContact O-N 2.99Å; V643-I645 PolarHBondContact O-N 2.96Å; V643-F646 WeakPolarHBondContact O-CB 3.28Å; V643-F646 PolarHBondContact O-N 3.19Å; V643-L647 HydrophobicContact CG1-CD1 4.11Å; V643-L647 HydrophobicContact CG1-CG 4.33Å; V643-L647 WeakPolarHBondContact O-CB 3.43Å; V643-L647 VanDerWaalsContact O-CG 3.28Å; V643-L647 WeakPolarHBondContact O-CG 3.45Å; V643-L647 PolarHBondContact O-N 3.45Å; V643-L669 HydrophobicContact CG1-CD1 4.09Å; V643-V673 HydrophobicContact CB-CG2 4.32Å; V643-V673 HydrophobicContact CG1-CG2 3.67Å
644G86.6Confident80.1Confident1 Ų145.4 Ų45.41%0.0126%0.26CS..Hα-helixtrans-59.4-43.7175.700000112.9V640 N641 T648V640-G644 PolarHBondContact O-N 2.91Å; N641-G644 PolarHBondContact O-N 3.12Å; G644-T648 WeakPolarHBondContact O-CB 3.41Å; G644-T648 PolarHBondContact O-N 3.46Å; G644-T648 PolarHBondContact O-OG1 3.04Å
645I86.2Confident81.3Confident43 Ų4342 Ų4222%0.22122%0.223CC..Hα-helixtrans-67.2-42.3175.1-66168.6000110.7A568 N641 F642 V643 L647 T648 Q649A568-I645 HydrophobicContact CB-CB 4.16Å; A568-I645 HydrophobicContact CB-CG2 3.91Å; N641-I645 WeakPolarHBondContact O-CB 3.19Å; N641-I645 VanDerWaalsContact O-CG1 3.26Å; N641-I645 WeakPolarHBondContact O-CG1 3.3Å; N641-I645 PolarHBondContact O-N 3.22Å; N641-I645 WeakPolarHBondContact OD1-CD1 3.39Å; F642-I645 PolarHBondContact O-N 3.46Å; V643-I645 PolarHBondContact O-N 2.96Å; I645-L647 PolarHBondContact O-N 3.27Å; I645-T648 PolarHBondContact O-N 3.39Å; I645-Q649 HydrophobicContact CG2-CG 4.23Å; I645-Q649 VanDerWaalsContact O-CG 3.32Å; I645-Q649 WeakPolarHBondContact O-CG 3.43Å; I645-Q649 PolarHBondContact O-N 3.16Å
646F88.9Confident82.4Confident0 Ų042.8 Ų42.80%023%0.225CC..Hα-helixtrans-57-51176.7178.8-81000111.1A568 L571 V572 L624 Y625 F628 F642 V643 T648 Q649 L650 M661A568-F646 HydrophobicContact CB-CB 4.03Å; L571-F646 HydrophobicContact CB-CD2 4.4Å; L571-F646 HydrophobicContact CB-CE2 4.11Å; V572-F646 HydrophobicContact CG2-CD1 4.32Å; V572-F646 HydrophobicContact CG2-CD2 3.55Å; V572-F646 HydrophobicContact CG2-CE1 4.22Å; V572-F646 HydrophobicContact CG2-CE2 3.48Å; V572-F646 VanDerWaalsContact CG2-CE2 3.48Å; V572-F646 HydrophobicContact CG2-CG 3.99Å; V572-F646 HydrophobicContact CG2-CZ 3.83Å; L624-F646 HydrophobicContact CD2-CE2 4.13Å; L624-F646 HydrophobicContact CD2-CZ 3.84Å; Y625-F646 AromaticContact CE1-CE1 3.84Å; Y625-F646 HydrophobicContact CE1-CE1 3.84Å; Y625-F646 HydrophobicContact CE1-CZ 4.35Å; F628-F646 AromaticContact CE2-CD1 3.75Å; F628-F646 HydrophobicContact CE2-CD1 3.75Å; F628-F646 AromaticContact CE2-CE1 3.92Å; F628-F646 HydrophobicContact CE2-CE1 3.92Å; F628-F646 HydrophobicContact CE2-CG 4.18Å; F628-F646 HydrophobicContact CE2-CZ 4.42Å; F628-F646 AromaticContact CZ-CD1 3.95Å; F628-F646 HydrophobicContact CZ-CD1 3.95Å; F628-F646 HydrophobicContact CZ-CD2 4.05Å; F628-F646 HydrophobicContact CZ-CE1 4.07Å; F628-F646 HydrophobicContact CZ-CE2 4.13Å; F628-F646 AromaticContact CZ-CG 3.96Å; F628-F646 HydrophobicContact CZ-CG 3.96Å; F628-F646 HydrophobicContact CZ-CZ 4.14Å; F642-F646 WeakPolarHBondContact O-CB 3.38Å; F642-F646 PolarHBondContact O-N 2.9Å; V643-F646 WeakPolarHBondContact O-CB 3.28Å; V643-F646 PolarHBondContact O-N 3.19Å; F646-T648 VanDerWaalsContact C-N 3.31Å; F646-T648 PolarHBondContact O-N 3.4Å; F646-Q649 PolarHBondContact O-N 3.25Å; F646-L650 HydrophobicContact CE1-CD2 4.24Å; F646-L650 WeakPolarHBondContact O-CB 3.46Å; F646-L650 PolarHBondContact O-N 3.38Å; F646-M661 HydrophobicContact CZ-CE 3.93Å
647L90.7Very high83.4Confident0 Ų038.9 Ų38.90%020%0.204CC..Hα-helixtrans-62.2-41.1177.7-68.5176.6000111.3V643 I645 L650 A651 L665 L669 V670 V673 L681 L689V643-L647 HydrophobicContact CG1-CD1 4.11Å; V643-L647 HydrophobicContact CG1-CG 4.33Å; V643-L647 WeakPolarHBondContact O-CB 3.43Å; V643-L647 VanDerWaalsContact O-CG 3.28Å; V643-L647 WeakPolarHBondContact O-CG 3.45Å; V643-L647 PolarHBondContact O-N 3.45Å; I645-L647 PolarHBondContact O-N 3.27Å; L647-L650 PolarHBondContact O-N 3.24Å; L647-A651 WeakPolarHBondContact O-CB 3.22Å; L647-A651 PolarHBondContact O-N 2.97Å; L647-L665 HydrophobicContact CD2-CD1 3.57Å; L647-L669 HydrophobicContact CD2-CD2 4.37Å; L647-V670 HydrophobicContact CD1-CG2 4.36Å; L647-V673 HydrophobicContact CD1-CG2 4.13Å; L647-L681 HydrophobicContact CB-CD2 3.98Å; L647-L681 HydrophobicContact CD1-CD1 4.05Å; L647-L681 HydrophobicContact CD1-CD2 4.47Å; L647-L689 HydrophobicContact CB-CD1 4.23Å
648T89.7Confident84.1Confident30 Ų3035.2 Ų35.218%0.18419%0.19CC..Hα-helixtrans-59.7-49.7174.2-60.10000110.5G644 I645 F646 L650 A651 W652G644-T648 WeakPolarHBondContact O-CB 3.41Å; G644-T648 PolarHBondContact O-N 3.46Å; G644-T648 PolarHBondContact O-OG1 3.04Å; I645-T648 PolarHBondContact O-N 3.39Å; F646-T648 VanDerWaalsContact C-N 3.31Å; F646-T648 PolarHBondContact O-N 3.4Å; T648-L650 PolarHBondContact O-N 3.01Å; T648-A651 WeakPolarHBondContact O-CB 3.48Å; T648-A651 PolarHBondContact O-N 3.37Å; T648-W652 PolarHBondContact O-N 2.93Å
649Q87.2Confident85Confident59 Ų5938 Ų3828%0.27620%0.195SC..Hα-helixtrans-61.6-45.1178.7-68-62.1-4800112.1S569 V572 I645 F646 A651 W652 H653S569-Q649 WeakPolarHBondContact OG-CG 3.37Å; V572-Q649 HydrophobicContact CB-CB 4.39Å; V572-Q649 HydrophobicContact CG2-CB 4.06Å; I645-Q649 HydrophobicContact CG2-CG 4.23Å; I645-Q649 VanDerWaalsContact O-CG 3.32Å; I645-Q649 WeakPolarHBondContact O-CG 3.43Å; I645-Q649 PolarHBondContact O-N 3.16Å; F646-Q649 PolarHBondContact O-N 3.25Å; Q649-A651 VanDerWaalsContact C-N 3.27Å; Q649-A651 PolarHBondContact O-N 2.74Å; Q649-W652 PolarHBondContact O-N 3.43Å; Q649-H653 PolarHBondContact O-CD2 3.36Å
650L89Confident85.5Confident0 Ų039.3 Ų39.30%020%0.203CC..Hα-helixtrans-59.3-38.3176.9179.660.7000112.2V572 F646 L647 T648 W652 H653 A658 M661 K662 L689V572-L650 HydrophobicContact CG1-CB 4.45Å; V572-L650 HydrophobicContact CG1-CD1 4.46Å; V572-L650 HydrophobicContact CG2-CB 4.32Å; F646-L650 HydrophobicContact CE1-CD2 4.24Å; F646-L650 WeakPolarHBondContact O-CB 3.46Å; F646-L650 PolarHBondContact O-N 3.38Å; L647-L650 PolarHBondContact O-N 3.24Å; T648-L650 PolarHBondContact O-N 3.01Å; L650-W652 VanDerWaalsContact C-N 3.27Å; L650-W652 PolarHBondContact O-N 3.28Å; L650-H653 PolarHBondContact O-N 3.18Å; L650-A658 HydrophobicContact CD1-CB 4.35Å; L650-M661 HydrophobicContact CD1-CB 3.82Å; L650-M661 HydrophobicContact CD1-CE 4.35Å; L650-M661 HydrophobicContact CD1-SD 4.12Å; L650-M661 HydrophobicContact CD2-CB 4.25Å; L650-K662 HydrophobicContact CD1-CG 4.33Å; L650-K662 HydrophobicContact CD2-CG 4.09Å; L650-K662 HydrophobicContact CG-CG 3.99Å; L650-K662 WeakPolarHBondContact O-CE 3.44Å; L650-K662 PolarHBondContact O-NZ 3.05Å; L650-L689 HydrophobicContact CD2-CD2 4.43Å; L650-L689 HydrophobicContact CG-CD2 4.43Å
651A88.7Confident85.8Confident5 Ų538.9 Ų38.94%0.04120%0.201CC..Hα-helixtrans-60.2-37.1179.900000112.5L647 T648 Q649 H653 K662 T685 A688 L689L647-A651 WeakPolarHBondContact O-CB 3.22Å; L647-A651 PolarHBondContact O-N 2.97Å; T648-A651 WeakPolarHBondContact O-CB 3.48Å; T648-A651 PolarHBondContact O-N 3.37Å; Q649-A651 VanDerWaalsContact C-N 3.27Å; Q649-A651 PolarHBondContact O-N 2.74Å; A651-H653 VanDerWaalsContact C-N 3.25Å; A651-H653 PolarHBondContact O-N 3.42Å; A651-K662 PolarHBondContact O-NZ 3.05Å; A651-T685 HydrophobicContact CB-CG2 3.61Å; A651-A688 HydrophobicContact CB-CB 4.02Å; A651-L689 HydrophobicContact CB-CD2 3.9Å; A651-L689 HydrophobicContact CB-CG 3.91Å
652W85Confident86.1Confident204 Ų20436.8 Ų36.877%0.77319%0.188SC*.Hα-helixtrans-72.9-16.6-176.6-70.751.9000113.2T648 Q649 L650T648-W652 PolarHBondContact O-N 2.93Å; Q649-W652 PolarHBondContact O-N 3.43Å; L650-W652 VanDerWaalsContact C-N 3.27Å; L650-W652 PolarHBondContact O-N 3.28Å
653H85.4Confident86.1Confident20 Ų2041.1 Ų41.19%0.09321%0.212CC..  trans-89.8128.7176.1-67.8-71000111.9I30 L576 Q649 L650 A651 A658 K662I30-H653 PolarHBondContact O-CE1 3.36Å; L576-H653 HydrophobicContact CD1-CB 4.11Å; Q649-H653 PolarHBondContact O-CD2 3.36Å; L650-H653 PolarHBondContact O-N 3.18Å; A651-H653 VanDerWaalsContact C-N 3.25Å; A651-H653 PolarHBondContact O-N 3.42Å; H653-A658 HydrophobicContact CB-CB 3.59Å; H653-A658 WeakPolarHBondContact O-CB 3.36Å; H653-K662 WeakPolarHBondContact O-CE 3.47Å; H653-K662 PolarHBondContact O-NZ 3.13Å
654S81.5Confident86Confident98 Ų9845.2 Ų45.269%0.68523%0.231SC*.  trans-109.36.8179.260.80000114
655S83.3Confident85.9Confident9 Ų945.9 Ų45.96%0.06323%0.234CC..SBendtrans-64.6163.2-177.880.90000112.4E29 E657 A658 K659E29-S655 WeakPolarHBondContact OE1-CB 3.49Å; S655-E657 WeakPolarHBondContact CB-OE2 3.4Å; S655-E657 PolarHBondContact O-N 2.75Å; S655-E657 PolarHBondContact OG-N 3.04Å; S655-E657 PolarHBondContact OG-OE2 3.25Å; S655-A658 PolarHBondContact O-N 2.78Å; S655-A658 PolarHBondContact OG-N 2.81Å; S655-A658 VanDerWaalsContact OG-N 3.13Å; S655-K659 WeakPolarHBondContact O-CG 3.46Å; S655-K659 PolarHBondContact O-N 3.35Å
656S81.7Confident85.6Confident81 Ų8146.3 Ų46.357%0.56624%0.24SC*.Hα-helixtrans-57.1-39.4174.732.50000112.1K659 V660S656-K659 WeakPolarHBondContact O-CB 3.49Å; S656-K659 PolarHBondContact O-N 3.26Å; S656-V660 PolarHBondContact O-N 2.92Å; S656-V660 VanDerWaalsContact O-N 3.16Å
657E84.2Confident84.9Confident23 Ų2352.3 Ų52.311%0.10727%0.268CS..Hα-helixtrans-69.4-40179.4-52.783-179.100111.2L576 L579 R580 S655 K659 V660 M661L576-E657 HydrophobicContact CD2-CB 3.78Å; L579-E657 HydrophobicContact CB-CB 3.88Å; L579-E657 HydrophobicContact CB-CG 3.84Å; L579-E657 HydrophobicContact CD1-CB 4.19Å; R580-E657 HydrophobicContact CB-CG 4.15Å; R580-E657 IonicContact CZ-OE1 3.71Å; R580-E657 IonicContact CZ-OE2 2.69Å; R580-E657 IonicContact NE-OE1 3.08Å; R580-E657 PolarHBondContact NE-OE1 3.01Å; R580-E657 IonicContact NE-OE2 3.86Å; R580-E657 IonicContact NH2-OE1 2.67Å; R580-E657 IonicContact NH2-OE2 3.6Å; R580-E657 PolarHBondContact NH2-OE2 3.25Å; S655-E657 WeakPolarHBondContact CB-OE2 3.4Å; S655-E657 PolarHBondContact O-N 2.75Å; S655-E657 PolarHBondContact OG-N 3.04Å; S655-E657 PolarHBondContact OG-OE2 3.25Å; E657-K659 VanDerWaalsContact C-N 3.27Å; E657-K659 PolarHBondContact O-N 3.24Å; E657-V660 WeakPolarHBondContact O-CB 3.45Å; E657-V660 PolarHBondContact O-N 2.77Å; E657-M661 PolarHBondContact O-N 2.82Å
658A85Confident84.4Confident0 Ų057.6 Ų57.60%030%0.296CS..Hα-helixtrans-63.7-35.9175.400000111.4L576 L650 H653 S655 M661 K662L576-A658 HydrophobicContact CD2-CB 3.83Å; L650-A658 HydrophobicContact CD1-CB 4.35Å; H653-A658 HydrophobicContact CB-CB 3.59Å; H653-A658 WeakPolarHBondContact O-CB 3.36Å; S655-A658 PolarHBondContact O-N 2.78Å; S655-A658 PolarHBondContact OG-N 2.81Å; S655-A658 VanDerWaalsContact OG-N 3.13Å; A658-M661 PolarHBondContact O-N 3.5Å; A658-K662 WeakPolarHBondContact O-CB 3.28Å; A658-K662 WeakPolarHBondContact O-CG 3.38Å; A658-K662 PolarHBondContact O-N 2.94Å
659K85.5Confident84.1Confident124 Ų12456.8 Ų56.854%0.53929%0.29SS..Hα-helixtrans-64-41174-69.9175.4-174.2177.10112.1S655 S656 E657 K662 N663S655-K659 WeakPolarHBondContact O-CG 3.46Å; S655-K659 PolarHBondContact O-N 3.35Å; S656-K659 WeakPolarHBondContact O-CB 3.49Å; S656-K659 PolarHBondContact O-N 3.26Å; E657-K659 VanDerWaalsContact C-N 3.27Å; E657-K659 PolarHBondContact O-N 3.24Å; K659-K662 PolarHBondContact O-N 3.46Å; K659-N663 WeakPolarHBondContact O-CB 3.38Å; K659-N663 PolarHBondContact O-N 3.15Å; K659-N663 PolarHBondContact O-ND2 3.31Å; K659-N663 PolarHBondContact O-OD1 2.88Å
660V84.7Confident84Confident35 Ų3554 Ų5421%0.21228%0.277CS..Hα-helixtrans-59.2-50.8173.91720000110.2F618 I621 S656 E657 K662 N663 E664F618-V660 HydrophobicContact CD1-CG1 3.39Å; F618-V660 HydrophobicContact CD2-CG1 4.17Å; F618-V660 HydrophobicContact CE1-CG1 3.48Å; F618-V660 VanDerWaalsContact CE1-CG1 3.48Å; F618-V660 HydrophobicContact CE2-CG1 4.22Å; F618-V660 HydrophobicContact CG-CG1 3.76Å; F618-V660 HydrophobicContact CZ-CG1 3.89Å; F618-V660 HydrophobicContact CZ-CG2 4.38Å; I621-V660 HydrophobicContact CD1-CG1 4.07Å; S656-V660 PolarHBondContact O-N 2.92Å; S656-V660 VanDerWaalsContact O-N 3.16Å; E657-V660 WeakPolarHBondContact O-CB 3.45Å; E657-V660 PolarHBondContact O-N 2.77Å; V660-K662 VanDerWaalsContact C-N 3.3Å; V660-K662 PolarHBondContact O-N 3.22Å; V660-N663 PolarHBondContact O-N 3.44Å; V660-N663 VanDerWaalsContact O-N 3.16Å; V660-E664 PolarHBondContact O-N 3.11Å
661M85.8Confident83.8Confident0 Ų056.4 Ų56.40%029%0.29CS..Hα-helixtrans-59-40.1177.4-68.5-178.27400112.8F575 L576 L579 I621 Y625 F646 L650 E657 A658F575-M661 HydrophobicContact CB-CE 3.69Å; F575-M661 HydrophobicContact CB-SD 3.76Å; F575-M661 HydrophobicContact CG-CE 4.12Å; L576-M661 HydrophobicContact CD2-SD 4.06Å; L576-M661 HydrophobicContact CG-SD 4.43Å; L579-M661 HydrophobicContact CD1-CG 3.73Å; L579-M661 HydrophobicContact CD1-SD 4.2Å; I621-M661 HydrophobicContact CD1-CG 4.01Å; Y625-M661 WeakPolarHBondContact CE2-O 3.4Å; Y625-M661 PolarHBondContact OH-O 2.98Å; F646-M661 HydrophobicContact CZ-CE 3.93Å; L650-M661 HydrophobicContact CD1-CB 3.82Å; L650-M661 HydrophobicContact CD1-CE 4.35Å; L650-M661 HydrophobicContact CD1-SD 4.12Å; L650-M661 HydrophobicContact CD2-CB 4.25Å; E657-M661 PolarHBondContact O-N 2.82Å; A658-M661 PolarHBondContact O-N 3.5Å
662K87.8Confident83.5Confident27 Ų2758.3 Ų58.312%0.11730%0.303CS..Hα-helixtrans-66.9-35.5177.3-74.2169.7-177.9-173.10112.8L650 A651 H653 A658 K659 V660 L665 A688L650-K662 HydrophobicContact CD1-CG 4.33Å; L650-K662 HydrophobicContact CD2-CG 4.09Å; L650-K662 HydrophobicContact CG-CG 3.99Å; L650-K662 WeakPolarHBondContact O-CE 3.44Å; L650-K662 PolarHBondContact O-NZ 3.05Å; A651-K662 PolarHBondContact O-NZ 3.05Å; H653-K662 WeakPolarHBondContact O-CE 3.47Å; H653-K662 PolarHBondContact O-NZ 3.13Å; A658-K662 WeakPolarHBondContact O-CB 3.28Å; A658-K662 WeakPolarHBondContact O-CG 3.38Å; A658-K662 PolarHBondContact O-N 2.94Å; K659-K662 PolarHBondContact O-N 3.46Å; V660-K662 VanDerWaalsContact C-N 3.3Å; V660-K662 PolarHBondContact O-N 3.22Å; K662-L665 VanDerWaalsContact O-CB 3.25Å; K662-L665 WeakPolarHBondContact O-CB 3.35Å; K662-L665 PolarHBondContact O-N 3.41Å; K662-A688 WeakPolarHBondContact CE-O 3.48Å; K662-A688 PolarHBondContact NZ-O 2.93Å
663N84.2Confident83.5Confident104 Ų10448.6 Ų48.656%0.55627%0.266SS*.Hα-helixtrans-69.6-32.6178.9-71.6-17.1000112.7K659 V660 L665K659-N663 WeakPolarHBondContact O-CB 3.38Å; K659-N663 PolarHBondContact O-N 3.15Å; K659-N663 PolarHBondContact O-ND2 3.31Å; K659-N663 PolarHBondContact O-OD1 2.88Å; V660-N663 PolarHBondContact O-N 3.44Å; V660-N663 VanDerWaalsContact O-N 3.16Å; N663-L665 PolarHBondContact O-N 3.46Å
664E84Confident83.4Confident86 Ų8647.7 Ų47.740%0.40226%0.262SS..THydrogen-bonded Turntrans-81.51.6177.9-64.4-57.7140.500113.4F618 I621 Y625 V660 P666F618-E664 HydrophobicContact CB-CG 4.14Å; I621-E664 HydrophobicContact CB-CB 4.34Å; I621-E664 HydrophobicContact CG2-CB 3.78Å; I621-E664 HydrophobicContact CG2-CG 4.41Å; Y625-E664 WeakPolarHBondContact CD2-O 3.38Å; Y625-E664 HydrophobicContact CE2-CB 4.11Å; Y625-E664 WeakPolarHBondContact CE2-O 3.49Å; V660-E664 PolarHBondContact O-N 3.11Å; E664-P666 WeakPolarHBondContact O-CD 3.34Å
665L84.3Confident83.3Confident16 Ų1652 Ų528%0.08426%0.263CS..  trans-66.1124.6-177.7-164.193.4000111.3Y625 L647 K662 N663 L669 V670 Y690Y625-L665 HydrophobicContact CD1-CD1 4.5Å; Y625-L665 HydrophobicContact CE1-CD1 3.93Å; Y625-L665 HydrophobicContact CE2-CB 4.4Å; Y625-L665 HydrophobicContact CE2-CD1 4.31Å; L647-L665 HydrophobicContact CD2-CD1 3.57Å; K662-L665 VanDerWaalsContact O-CB 3.25Å; K662-L665 WeakPolarHBondContact O-CB 3.35Å; K662-L665 PolarHBondContact O-N 3.41Å; N663-L665 PolarHBondContact O-N 3.46Å; L665-L669 HydrophobicContact CD1-CD2 4.03Å; L665-L669 HydrophobicContact CG-CD2 4.4Å; L665-V670 HydrophobicContact CD2-CG2 3.43Å; L665-V670 VanDerWaalsContact CD2-CG2 3.43Å; L665-Y690 HydrophobicContact CD2-CE1 4.37Å
666P81.9Confident83.2Confident51 Ų5152.1 Ų52.133%0.33127%0.266SS..  trans-60141.4175.9-23.933.2000111.8Y625 E664 D668 L669Y625-P666 VanDerWaalsContact CB-CD 3.45Å; Y625-P666 VanDerWaalsContact CD2-CD 3.47Å; Y625-P666 HydrophobicContact CD2-CG 4.35Å; Y625-P666 HydrophobicContact CG-CG 4.22Å; E664-P666 WeakPolarHBondContact O-CD 3.34Å; P666-D668 VanDerWaalsContact C-N 3.28Å; P666-D668 PolarHBondContact O-N 3.2Å; P666-L669 HydrophobicContact CB-CB 4.25Å; P666-L669 PolarHBondContact O-N 2.87Å
667E72.6Confident83.2Confident126 Ų12651 Ų5159%0.58925%0.253SS*.Hα-helixtrans-61.6-36.6-173.4-51.2-160155.800112.6K700E667-K700 VanDerWaalsContact CG-NZ 3.32Å; E667-K700 WeakPolarHBondContact OE1-CE 3.41Å; E667-K700 IonicContact OE1-NZ 3.11Å; E667-K700 PolarHBondContact OE1-NZ 3.05Å; E667-K700 IonicContact OE2-NZ 2.7Å
668D81Confident83Confident112 Ų11250.8 Ų50.860%0.59925%0.254SS*.Hα-helixtrans-86.2-11.4-174.6-60.5-38.5000114.1P666 L671 S672P666-D668 VanDerWaalsContact C-N 3.28Å; P666-D668 PolarHBondContact O-N 3.2Å; D668-L671 PolarHBondContact O-N 2.86Å; D668-S672 VanDerWaalsContact O-CB 3.24Å; D668-S672 WeakPolarHBondContact O-CB 3.47Å; D668-S672 PolarHBondContact O-N 3.44Å; D668-S672 PolarHBondContact O-OG 2.99Å
669L83.7Confident82.8Confident12 Ų1257.7 Ų57.76%0.06329%0.286CS..Hα-helixtrans-66.6-48.9-172.4177.266.2000111.6Y625 F628 V630 V643 L647 L665 P666 L671 S672 V673Y625-L669 HydrophobicContact CD1-CD2 4.14Å; F628-L669 HydrophobicContact CB-CD1 3.75Å; F628-L669 HydrophobicContact CD2-CD1 4.2Å; F628-L669 HydrophobicContact CD2-CD2 3.76Å; F628-L669 HydrophobicContact CE2-CD2 4.48Å; V630-L669 HydrophobicContact CG2-CD1 4.1Å; V643-L669 HydrophobicContact CG1-CD1 4.09Å; L647-L669 HydrophobicContact CD2-CD2 4.37Å; L665-L669 HydrophobicContact CD1-CD2 4.03Å; L665-L669 HydrophobicContact CG-CD2 4.4Å; P666-L669 HydrophobicContact CB-CB 4.25Å; P666-L669 PolarHBondContact O-N 2.87Å; L669-L671 VanDerWaalsContact C-N 3.33Å; L669-L671 PolarHBondContact O-N 3.22Å; L669-S672 PolarHBondContact O-N 2.78Å; L669-V673 WeakPolarHBondContact O-CG2 3.33Å; L669-V673 PolarHBondContact O-N 3.43Å
670V85.6Confident82.6Confident0 Ų053.6 Ų53.60%027%0.27CS..Hα-helixtrans-65.3-40.2178.7-177.70000110.9L647 L665 S672 V673 L674 L681 L689 Y690 L704L647-V670 HydrophobicContact CD1-CG2 4.36Å; L665-V670 HydrophobicContact CD2-CG2 3.43Å; L665-V670 VanDerWaalsContact CD2-CG2 3.43Å; V670-S672 VanDerWaalsContact C-N 3.31Å; V670-S672 PolarHBondContact O-N 3.38Å; V670-V673 PolarHBondContact O-N 3.1Å; V670-L674 HydrophobicContact CG1-CD1 4.31Å; V670-L674 HydrophobicContact CG1-CG 4.48Å; V670-L674 WeakPolarHBondContact O-CG 3.27Å; V670-L674 PolarHBondContact O-N 3.49Å; V670-L681 HydrophobicContact CG1-CD1 3.89Å; V670-L689 HydrophobicContact CG2-CD1 4.31Å; V670-Y690 HydrophobicContact CG2-CE2 4.29Å; V670-Y690 VanDerWaalsContact CG2-OH 3.25Å; V670-Y690 WeakPolarHBondContact CG2-OH 3.45Å; V670-L704 HydrophobicContact CB-CD1 4.32Å; V670-L704 HydrophobicContact CB-CD2 4.48Å; V670-L704 HydrophobicContact CG1-CD1 3.78Å; V670-L704 HydrophobicContact CG1-CD2 4.15Å
671L84Confident82.6Confident51 Ų5152.1 Ų52.127%0.26726%0.26SS..Hα-helixtrans-60.7-44.3176.4-177.564.7000110.8D668 L669 L674 W675 L704 V707D668-L671 PolarHBondContact O-N 2.86Å; L669-L671 VanDerWaalsContact C-N 3.33Å; L669-L671 PolarHBondContact O-N 3.22Å; L671-L674 PolarHBondContact O-N 3.1Å; L671-W675 VanDerWaalsContact O-CD1 3.29Å; L671-W675 PolarHBondContact O-N 2.82Å; L671-L704 HydrophobicContact CB-CD2 4.13Å; L671-L704 HydrophobicContact CD1-CD2 4.12Å; L671-V707 HydrophobicContact CD1-CG2 3.83Å
672S82.7Confident82.6Confident46 Ų4658.8 Ų58.832%0.32229%0.289SS..Hα-helixtrans-63.4-41.7178.8-62.10000111.7D668 L669 V670 W675 A676D668-S672 VanDerWaalsContact O-CB 3.24Å; D668-S672 WeakPolarHBondContact O-CB 3.47Å; D668-S672 PolarHBondContact O-N 3.44Å; D668-S672 PolarHBondContact O-OG 2.99Å; L669-S672 PolarHBondContact O-N 2.78Å; V670-S672 VanDerWaalsContact C-N 3.31Å; V670-S672 PolarHBondContact O-N 3.38Å; S672-W675 PolarHBondContact O-N 3.42Å; S672-A676 WeakPolarHBondContact O-CB 3.39Å; S672-A676 PolarHBondContact O-N 3.49Å
673V84.5Confident82.4Confident0 Ų058.9 Ų58.90%029%0.293CS..Hα-helixtrans-63.9-42.7173.9175.10000111.5V630 V643 L647 L669 V670 A676 D677 L680 L681V630-V673 HydrophobicContact CG1-CG2 4.15Å; V630-V673 HydrophobicContact CG2-CG2 3.94Å; V643-V673 HydrophobicContact CB-CG2 4.32Å; V643-V673 HydrophobicContact CG1-CG2 3.67Å; L647-V673 HydrophobicContact CD1-CG2 4.13Å; L669-V673 WeakPolarHBondContact O-CG2 3.33Å; L669-V673 PolarHBondContact O-N 3.43Å; V670-V673 PolarHBondContact O-N 3.1Å; V673-A676 WeakPolarHBondContact O-CB 3.5Å; V673-A676 PolarHBondContact O-N 3.34Å; V673-D677 CarbonylContact O-C 3.36Å; V673-D677 PolarHBondContact O-N 3.03Å; V673-L680 HydrophobicContact CG1-CB 4.45Å; V673-L680 HydrophobicContact CG1-CD1 4.34Å; V673-L681 HydrophobicContact CB-CD1 4.2Å; V673-L681 HydrophobicContact CG1-CD1 3.8Å; V673-L681 HydrophobicContact CG1-CG 4.06Å
674L83.7Confident82.5Confident1 Ų160.1 Ų60.11%0.00530%0.295CS..Hα-helixtrans-68.1-35.8178.3-72.2-180000113.4V670 L671 A676 P678 L681 I686 L704 L708V670-L674 HydrophobicContact CG1-CD1 4.31Å; V670-L674 HydrophobicContact CG1-CG 4.48Å; V670-L674 WeakPolarHBondContact O-CG 3.27Å; V670-L674 PolarHBondContact O-N 3.49Å; L671-L674 PolarHBondContact O-N 3.1Å; L674-A676 VanDerWaalsContact C-N 3.28Å; L674-P678 WeakPolarHBondContact O-CA 3.36Å; L674-P678 WeakPolarHBondContact O-CB 3.44Å; L674-L681 HydrophobicContact CD2-CB 3.91Å; L674-L681 HydrophobicContact CD2-CD1 4.27Å; L674-L681 HydrophobicContact CG-CD1 4.41Å; L674-I686 HydrophobicContact CD1-CD1 3.88Å; L674-I686 HydrophobicContact CD2-CD1 4.35Å; L674-L704 HydrophobicContact CD1-CB 4.08Å; L674-L704 HydrophobicContact CD1-CD2 3.84Å; L674-L704 HydrophobicContact CD1-CG 4.47Å; L674-L708 HydrophobicContact CD1-CG 4.37Å; L674-L708 HydrophobicContact CD2-CD2 3.79Å; L674-L708 HydrophobicContact CD2-CG 4.38Å
675W80.1Confident82.6Confident187 Ų18756.5 Ų56.571%0.70828%0.279SS*.Hα-helixtrans-68.3-33.6172.8-80.729.9000111.6L671 S672L671-W675 VanDerWaalsContact O-CD1 3.29Å; L671-W675 PolarHBondContact O-N 2.82Å; S672-W675 PolarHBondContact O-N 3.42Å
676A79.9Confident82.7Confident13 Ų1355.7 Ų55.711%0.10728%0.275CS..Hα-helixtrans-74.3-56.2-178.700000112.1V630 L636 V640 S672 V673 L674V630-A676 HydrophobicContact CG1-CB 3.56Å; L636-A676 VanDerWaalsContact CD2-C 3.5Å; L636-A676 HydrophobicContact CD2-CB 3.29Å; L636-A676 WeakPolarHBondContact CD2-O 3.4Å; V640-A676 HydrophobicContact CG1-CB 3.8Å; V640-A676 HydrophobicContact CG2-CB 4.2Å; S672-A676 WeakPolarHBondContact O-CB 3.39Å; S672-A676 PolarHBondContact O-N 3.49Å; V673-A676 WeakPolarHBondContact O-CB 3.5Å; V673-A676 PolarHBondContact O-N 3.34Å; L674-A676 VanDerWaalsContact C-N 3.28Å
677D81.4Confident83Confident56 Ų5656 Ų5630%0.29928%0.275SS..  trans-145105.4171.3-177.9-5.7000109.9V673 H679 L680V673-D677 CarbonylContact O-C 3.36Å; V673-D677 PolarHBondContact O-N 3.03Å; D677-H679 PolarHBondContact O-N 3.27Å; D677-H679 WeakPolarHBondContact OD1-CB 3.22Å; D677-H679 IonicContact OD1-CD2 3.7Å; D677-H679 IonicContact OD1-CG 3.94Å; D677-H679 PolarHBondContact OD1-N 3.46Å; D677-L680 HydrophobicContact CB-CD1 3.71Å; D677-L680 HydrophobicContact CB-CG 3.84Å; D677-L680 PolarHBondContact O-N 3.46Å
678P80.1Confident83.7Confident19 Ų1952.1 Ų52.112%0.12327%0.265CS..THydrogen-bonded Turntrans-69.9-16.8-175.934.6-42000112.7L674 L708 V711 I713L674-P678 WeakPolarHBondContact O-CA 3.36Å; L674-P678 WeakPolarHBondContact O-CB 3.44Å; P678-L708 HydrophobicContact CB-CD2 4.23Å; P678-V711 HydrophobicContact CB-CG1 4.02Å; P678-V711 HydrophobicContact CG-CG1 3.67Å; P678-I713 HydrophobicContact CB-CD1 3.43Å; P678-I713 VanDerWaalsContact CB-CD1 3.43Å; P678-I713 HydrophobicContact CB-CG1 4.27Å; P678-I713 HydrophobicContact CG-CD1 3.71Å; P678-I713 HydrophobicContact CG-CG1 4.43Å; P678-I713 VanDerWaalsContact O-CD1 3.26Å; P678-I713 WeakPolarHBondContact O-CD1 3.35Å
679H82.1Confident83.9Confident145 Ų14547 Ų4767%0.67124%0.237SC*.THydrogen-bonded Turntrans-80.9-14.4-179.7-64.1-71.2000113.8D677 I713D677-H679 PolarHBondContact O-N 3.27Å; D677-H679 WeakPolarHBondContact OD1-CB 3.22Å; D677-H679 IonicContact OD1-CD2 3.7Å; D677-H679 IonicContact OD1-CG 3.94Å; D677-H679 PolarHBondContact OD1-N 3.46Å; H679-I713 WeakPolarHBondContact ND1-CD1 2.89Å
680L81.9Confident84Confident39 Ų3947.3 Ų47.320%0.20424%0.238CC..SBendtrans-71.4-31.1-176.6-70176.2000113.6V640 V673 D677V640-L680 HydrophobicContact CG1-CD1 3.58Å; V673-L680 HydrophobicContact CG1-CB 4.45Å; V673-L680 HydrophobicContact CG1-CD1 4.34Å; D677-L680 HydrophobicContact CB-CD1 3.71Å; D677-L680 HydrophobicContact CB-CG 3.84Å; D677-L680 PolarHBondContact O-N 3.46Å
681L84.6Confident83.9Confident3 Ų350.9 Ų50.92%0.01626%0.257CS..SBendtrans-116.8111.3-177-61.8177.9000110L647 V670 V673 L674 T685 I686L647-L681 HydrophobicContact CB-CD2 3.98Å; L647-L681 HydrophobicContact CD1-CD1 4.05Å; L647-L681 HydrophobicContact CD1-CD2 4.47Å; V670-L681 HydrophobicContact CG1-CD1 3.89Å; V673-L681 HydrophobicContact CB-CD1 4.2Å; V673-L681 HydrophobicContact CG1-CD1 3.8Å; V673-L681 HydrophobicContact CG1-CG 4.06Å; L674-L681 HydrophobicContact CD2-CB 3.91Å; L674-L681 HydrophobicContact CD2-CD1 4.27Å; L674-L681 HydrophobicContact CG-CD1 4.41Å; L681-T685 HydrophobicContact CD2-CG2 4.08Å; L681-I686 HydrophobicContact CB-CG1 4.43Å
682K85.5Confident83.7Confident140 Ų14051 Ų5161%0.60926%0.261SS*.  trans-69.1153.9173.9-58.7-175.4177.7-178.90111.1E684 T685 I686K682-E684 VanDerWaalsContact CB-OE2 3.23Å; K682-E684 WeakPolarHBondContact CB-OE2 3.44Å; K682-E684 PolarHBondContact O-N 3.23Å; K682-T685 VanDerWaalsContact O-CB 3.28Å; K682-T685 WeakPolarHBondContact O-CB 3.4Å; K682-T685 PolarHBondContact O-N 3.09Å; K682-I686 PolarHBondContact O-N 3.12Å
683P83.8Confident83.6Confident29 Ų2956 Ų5619%0.18828%0.279CS..Hα-helixtrans-53.9-37.2176.8-26.835.4000113.5T685 I686 V687 F705 L708 F714P683-T685 VanDerWaalsContact C-N 3.33Å; P683-T685 PolarHBondContact O-N 3.4Å; P683-I686 PolarHBondContact O-N 2.99Å; P683-V687 WeakPolarHBondContact O-CG2 3.45Å; P683-V687 PolarHBondContact O-N 3.22Å; P683-F705 HydrophobicContact CB-CE1 3.83Å; P683-F705 HydrophobicContact CB-CZ 4.06Å; P683-L708 HydrophobicContact CG-CD1 4.38Å; P683-F714 HydrophobicContact CG-CD2 4.47Å; P683-F714 HydrophobicContact CG-CE2 4.37Å
684E85.7Confident83.6Confident131 Ų13160 Ų6061%0.61230%0.298SS*.Hα-helixtrans-65.8-36.9178.2-54.778-165.500111.8K682 V687 A688K682-E684 VanDerWaalsContact CB-OE2 3.23Å; K682-E684 WeakPolarHBondContact CB-OE2 3.44Å; K682-E684 PolarHBondContact O-N 3.23Å; E684-V687 PolarHBondContact O-N 3.27Å; E684-A688 WeakPolarHBondContact O-CB 3.22Å; E684-A688 PolarHBondContact O-N 2.85Å
685T86.4Confident83.5Confident9 Ų963.7 Ų63.76%0.05533%0.329CS..Hα-helixtrans-62.5-43.1175.7-540000110.8A651 L681 K682 P683 V687 A688 L689A651-T685 HydrophobicContact CB-CG2 3.61Å; L681-T685 HydrophobicContact CD2-CG2 4.08Å; K682-T685 VanDerWaalsContact O-CB 3.28Å; K682-T685 WeakPolarHBondContact O-CB 3.4Å; K682-T685 PolarHBondContact O-N 3.09Å; P683-T685 VanDerWaalsContact C-N 3.33Å; P683-T685 PolarHBondContact O-N 3.4Å; T685-V687 PolarHBondContact O-N 3.29Å; T685-A688 PolarHBondContact O-N 3.43Å; T685-L689 HydrophobicContact CG2-CD1 4.44Å; T685-L689 WeakPolarHBondContact O-CG 3.17Å; T685-L689 PolarHBondContact O-N 3.1Å
686I85.9Confident83.6Confident0 Ų062.5 Ų62.50%033%0.328CS..Hα-helixtrans-62-46.4178.6-62.6171.4000110.4L674 L681 K682 P683 A688 L689 Y690 L704 F705 L708L674-I686 HydrophobicContact CD1-CD1 3.88Å; L674-I686 HydrophobicContact CD2-CD1 4.35Å; L681-I686 HydrophobicContact CB-CG1 4.43Å; K682-I686 PolarHBondContact O-N 3.12Å; P683-I686 PolarHBondContact O-N 2.99Å; I686-A688 VanDerWaalsContact C-N 3.25Å; I686-A688 PolarHBondContact O-N 3.34Å; I686-L689 PolarHBondContact O-N 3.49Å; I686-Y690 HydrophobicContact CG2-CD2 4.33Å; I686-Y690 HydrophobicContact CG2-CE2 4.46Å; I686-Y690 WeakPolarHBondContact O-CD2 3.43Å; I686-Y690 PolarHBondContact O-N 2.92Å; I686-L704 HydrophobicContact CG2-CB 4.22Å; I686-L704 HydrophobicContact CG2-CD1 3.7Å; I686-F705 HydrophobicContact CB-CE1 4.23Å; I686-F705 HydrophobicContact CD1-CD1 4.4Å; I686-F705 HydrophobicContact CD1-CE1 4.23Å; I686-F705 HydrophobicContact CG2-CE1 4.3Å; I686-L708 HydrophobicContact CD1-CD1 3.56Å; I686-L708 HydrophobicContact CD1-CG 4.45Å
687V87.2Confident83.8Confident57 Ų5763 Ų6335%0.34533%0.328SS..Hα-helixtrans-63-34.4177.91780000111.5P683 E684 T685 I701 F705P683-V687 WeakPolarHBondContact O-CG2 3.45Å; P683-V687 PolarHBondContact O-N 3.22Å; E684-V687 PolarHBondContact O-N 3.27Å; T685-V687 PolarHBondContact O-N 3.29Å; V687-I701 HydrophobicContact CG2-CG2 4.22Å; V687-F705 HydrophobicContact CG2-CE2 4.24Å; V687-F705 HydrophobicContact CG2-CZ 3.62Å
688A87.2Confident83.9Confident44 Ų4465.9 Ų65.936%0.36434%0.335SS..Hα-helixtrans-78.7-20.4-179.800000114.4A651 K662 E684 T685 I686A651-A688 HydrophobicContact CB-CB 4.02Å; K662-A688 WeakPolarHBondContact CE-O 3.48Å; K662-A688 PolarHBondContact NZ-O 2.93Å; E684-A688 WeakPolarHBondContact O-CB 3.22Å; E684-A688 PolarHBondContact O-N 2.85Å; T685-A688 PolarHBondContact O-N 3.43Å; I686-A688 VanDerWaalsContact C-N 3.25Å; I686-A688 PolarHBondContact O-N 3.34Å
689L86.4Confident84.2Confident4 Ų470.6 Ų70.62%0.02136%0.355CS..Hα-helixtrans-74.2-32.8173.8-76171.1000112.5L647 L650 A651 V670 T685 I686L647-L689 HydrophobicContact CB-CD1 4.23Å; L650-L689 HydrophobicContact CD2-CD2 4.43Å; L650-L689 HydrophobicContact CG-CD2 4.43Å; A651-L689 HydrophobicContact CB-CD2 3.9Å; A651-L689 HydrophobicContact CB-CG 3.91Å; V670-L689 HydrophobicContact CG2-CD1 4.31Å; T685-L689 HydrophobicContact CG2-CD1 4.44Å; T685-L689 WeakPolarHBondContact O-CG 3.17Å; T685-L689 PolarHBondContact O-N 3.1Å; I686-L689 PolarHBondContact O-N 3.49Å
690Y86.2Confident84.2Confident19 Ų1965.9 Ų65.98%0.07533%0.333CS..SBendtrans-109.8157-176.2-65.4-71.9000111.6L665 V670 I686 P692 Q697 I701 L704L665-Y690 HydrophobicContact CD2-CE1 4.37Å; V670-Y690 HydrophobicContact CG2-CE2 4.29Å; V670-Y690 VanDerWaalsContact CG2-OH 3.25Å; V670-Y690 WeakPolarHBondContact CG2-OH 3.45Å; I686-Y690 HydrophobicContact CG2-CD2 4.33Å; I686-Y690 HydrophobicContact CG2-CE2 4.46Å; I686-Y690 WeakPolarHBondContact O-CD2 3.43Å; I686-Y690 PolarHBondContact O-N 2.92Å; Y690-P692 VanDerWaalsContact O-CD 3.24Å; Y690-P692 WeakPolarHBondContact O-CD 3.22Å; Y690-Q697 HydrophobicContact CD1-CB 4.5Å; Y690-I701 HydrophobicContact CD2-CG1 4.08Å; Y690-I701 HydrophobicContact CG-CG1 4.24Å; Y690-L704 HydrophobicContact CD2-CD1 4.4Å; Y690-L704 HydrophobicContact CE2-CD1 3.6Å
691N82.2Confident84.3Confident75 Ų7564.4 Ų64.440%0.40133%0.325SS..  trans-87.1108172.1-176.10.1000110.4Q693 E694 Q697N691-Q693 PolarHBondContact O-N 3.26Å; N691-Q693 VanDerWaalsContact O-N 3.14Å; N691-Q693 WeakPolarHBondContact OD1-CB 3.25Å; N691-Q693 PolarHBondContact OD1-N 3.39Å; N691-E694 PolarHBondContact O-N 2.88Å; N691-Q697 WeakPolarHBondContact O-CB 3.47Å
692P79.8Confident84.4Confident54 Ų5469.5 Ų69.535%0.35135%0.35SS..THydrogen-bonded Turntrans-66.6-16.7-179.828-35.6000113.4Y690 E694 R698 I701Y690-P692 VanDerWaalsContact O-CD 3.24Å; Y690-P692 WeakPolarHBondContact O-CD 3.22Å; P692-E694 VanDerWaalsContact C-N 3.34Å; P692-R698 PolarHBondContact O-NE 3.24Å; P692-R698 PolarHBondContact O-NH2 2.75Å; P692-I701 HydrophobicContact CB-CD1 4.36Å
693Q81.8Confident84.4Confident150 Ų15067.8 Ų67.870%0.70134%0.344SS*.THydrogen-bonded Turntrans-74.5-26.1177.8-58.3-58.7-21.400112.4N691 R698N691-Q693 PolarHBondContact O-N 3.26Å; N691-Q693 VanDerWaalsContact O-N 3.14Å; N691-Q693 WeakPolarHBondContact OD1-CB 3.25Å; N691-Q693 PolarHBondContact OD1-N 3.39Å; Q693-R698 PolarHBondContact O-NH2 3.24Å
694E84Confident84.5Confident85 Ų8566.9 Ų66.940%0.39734%0.338SS..SBendtrans-85.1125.8179.5-167.2-17816600111N691 P692 K696 Q697 R698N691-E694 PolarHBondContact O-N 2.88Å; P692-E694 VanDerWaalsContact C-N 3.34Å; E694-K696 VanDerWaalsContact C-N 3.35Å; E694-K696 PolarHBondContact O-N 2.86Å; E694-Q697 HydrophobicContact CB-CB 4.24Å; E694-Q697 HydrophobicContact CB-CG 4.13Å; E694-Q697 HydrophobicContact CG-CG 4.35Å; E694-Q697 PolarHBondContact O-N 3.46Å; E694-Q697 PolarHBondContact OE2-NE2 2.99Å; E694-R698 WeakPolarHBondContact O-CB 3.36Å; E694-R698 PolarHBondContact O-N 3.44Å
695A81.2Confident84.5Confident79 Ų7963.6 Ų63.665%0.65332%0.322SS*.Hα-helixtrans-58.4-42.1-173.400000113.4R698 H699A695-R698 PolarHBondContact O-N 2.99Å; A695-H699 PolarHBondContact O-N 3.02Å; A695-H699 VanDerWaalsContact O-N 3.09Å
696K83.1Confident84.4Confident161 Ų16166.9 Ų66.970%0.734%0.344SS*.Hα-helixtrans-61.9-47.1177.6-71.8-175.2177.9-178.20111.5E694 H699 K700E694-K696 VanDerWaalsContact C-N 3.35Å; E694-K696 PolarHBondContact O-N 2.86Å; K696-H699 PolarHBondContact O-N 3.23Å; K696-K700 PolarHBondContact O-N 2.88Å
697Q83.3Confident84.2Confident24 Ų2468.1 Ų68.111%0.11235%0.352CS..Hα-helixtrans-69.7-36.9-179.1-59.4-160.825.300111.9Y690 N691 E694 H699 K700 I701Y690-Q697 HydrophobicContact CD1-CB 4.5Å; N691-Q697 WeakPolarHBondContact O-CB 3.47Å; E694-Q697 HydrophobicContact CB-CB 4.24Å; E694-Q697 HydrophobicContact CB-CG 4.13Å; E694-Q697 HydrophobicContact CG-CG 4.35Å; E694-Q697 PolarHBondContact O-N 3.46Å; E694-Q697 PolarHBondContact OE2-NE2 2.99Å; Q697-H699 VanDerWaalsContact C-N 3.33Å; Q697-H699 PolarHBondContact O-N 3.15Å; Q697-K700 WeakPolarHBondContact O-CB 3.29Å; Q697-K700 PolarHBondContact O-N 3.49Å; Q697-K700 VanDerWaalsContact O-N 3.15Å; Q697-I701 WeakPolarHBondContact O-CG1 3.36Å; Q697-I701 PolarHBondContact O-N 3.29Å
698R83.9Confident84Confident117 Ų11765.5 Ų65.544%0.44234%0.336SS..Hα-helixtrans-58.8-43.2172.5-170.5-174.6-56174.15.5112.3P692 Q693 E694 A695 K700 I701 M702P692-R698 PolarHBondContact O-NE 3.24Å; P692-R698 PolarHBondContact O-NH2 2.75Å; Q693-R698 PolarHBondContact O-NH2 3.24Å; E694-R698 WeakPolarHBondContact O-CB 3.36Å; E694-R698 PolarHBondContact O-N 3.44Å; A695-R698 PolarHBondContact O-N 2.99Å; R698-K700 VanDerWaalsContact C-N 3.29Å; R698-K700 PolarHBondContact O-N 3.1Å; R698-I701 PolarHBondContact O-N 3.5Å; R698-M702 WeakPolarHBondContact O-CG 3.21Å; R698-M702 PolarHBondContact O-N 3.44Å; R698-M702 VanDerWaalsContact O-N 3.14Å
699H85.3Confident83.7Confident118 Ų11872.2 Ų72.255%0.54635%0.352SS..Hα-helixtrans-61.9-39.4176.4-168.377.7000111.5A695 K696 Q697 M702 Q703A695-H699 PolarHBondContact O-N 3.02Å; A695-H699 VanDerWaalsContact O-N 3.09Å; K696-H699 PolarHBondContact O-N 3.23Å; Q697-H699 VanDerWaalsContact C-N 3.33Å; Q697-H699 PolarHBondContact O-N 3.15Å; H699-M702 WeakPolarHBondContact O-CB 3.49Å; H699-M702 PolarHBondContact O-N 3.03Å; H699-Q703 PolarHBondContact CD2-NE2 3.31Å; H699-Q703 PolarHBondContact NE2-NE2 3.33Å; H699-Q703 WeakPolarHBondContact O-CG 3.42Å; H699-Q703 PolarHBondContact O-N 3.48Å
700K82.7Confident83.3Confident45 Ų4581 Ų8120%0.19639%0.389CS..Hα-helixtrans-63.7-45.5174.9-67.6177.4179.9176.50112.8E667 K696 Q697 R698 M702 Q703 L704E667-K700 VanDerWaalsContact CG-NZ 3.32Å; E667-K700 WeakPolarHBondContact OE1-CE 3.41Å; E667-K700 IonicContact OE1-NZ 3.11Å; E667-K700 PolarHBondContact OE1-NZ 3.05Å; E667-K700 IonicContact OE2-NZ 2.7Å; K696-K700 PolarHBondContact O-N 2.88Å; Q697-K700 WeakPolarHBondContact O-CB 3.29Å; Q697-K700 PolarHBondContact O-N 3.49Å; Q697-K700 VanDerWaalsContact O-N 3.15Å; R698-K700 VanDerWaalsContact C-N 3.29Å; R698-K700 PolarHBondContact O-N 3.1Å; K700-M702 PolarHBondContact O-N 3.05Å; K700-Q703 WeakPolarHBondContact O-CB 3.2Å; K700-Q703 PolarHBondContact O-N 3.41Å; K700-L704 WeakPolarHBondContact O-CG 3.42Å; K700-L704 PolarHBondContact O-N 2.84Å
701I84.7Confident82.9Confident9 Ų983.8 Ų83.85%0.04641%0.409CS..Hα-helixtrans-53.8-44.9174.6-64.4167.3000110V687 Y690 P692 Q697 R698 L704 F705V687-I701 HydrophobicContact CG2-CG2 4.22Å; Y690-I701 HydrophobicContact CD2-CG1 4.08Å; Y690-I701 HydrophobicContact CG-CG1 4.24Å; P692-I701 HydrophobicContact CB-CD1 4.36Å; Q697-I701 WeakPolarHBondContact O-CG1 3.36Å; Q697-I701 PolarHBondContact O-N 3.29Å; R698-I701 PolarHBondContact O-N 3.5Å; I701-L704 PolarHBondContact O-N 3.09Å; I701-F705 HydrophobicContact CG2-CD2 4.1Å; I701-F705 HydrophobicContact CG2-CE1 4.43Å; I701-F705 HydrophobicContact CG2-CE2 3.84Å; I701-F705 HydrophobicContact CG2-CZ 4.05Å; I701-F705 WeakPolarHBondContact O-CG 3.04Å; I701-F705 PolarHBondContact O-N 2.57Å
702M86.4Confident82.4Confident110 Ų11083.1 Ų83.154%0.54242%0.42SS..Hα-helixtrans-64.1-41.1177.7-66-64.8169.900112.6R698 H699 K700 F705 C706R698-M702 WeakPolarHBondContact O-CG 3.21Å; R698-M702 PolarHBondContact O-N 3.44Å; R698-M702 VanDerWaalsContact O-N 3.14Å; H699-M702 WeakPolarHBondContact O-CB 3.49Å; H699-M702 PolarHBondContact O-N 3.03Å; K700-M702 PolarHBondContact O-N 3.05Å; M702-F705 PolarHBondContact O-N 3.32Å; M702-C706 PolarHBondContact O-N 3.29Å; M702-C706 PolarHBondContact O-SG 3.49Å
703Q85.2Confident81.7Confident103 Ų10383.3 Ų83.348%0.48142%0.417SS..Hα-helixtrans-60.8-44.9174.5-71.1177.1-8.100111.8H699 K700 C706 V707H699-Q703 PolarHBondContact CD2-NE2 3.31Å; H699-Q703 PolarHBondContact NE2-NE2 3.33Å; H699-Q703 WeakPolarHBondContact O-CG 3.42Å; H699-Q703 PolarHBondContact O-N 3.48Å; K700-Q703 WeakPolarHBondContact O-CB 3.2Å; K700-Q703 PolarHBondContact O-N 3.41Å; Q703-C706 WeakPolarHBondContact O-CB 3.24Å; Q703-C706 PolarHBondContact O-N 3.14Å; Q703-V707 WeakPolarHBondContact O-CG2 3.48Å; Q703-V707 PolarHBondContact O-N 3.49Å; Q703-V707 VanDerWaalsContact O-N 3.1Å
704L85.5Confident80.3Confident10 Ų1084.8 Ų84.85%0.05242%0.421CS..Hα-helixtrans-65.7-38.8178.4-64170.3000112V670 L671 L674 I686 Y690 K700 I701 V707 L708V670-L704 HydrophobicContact CB-CD1 4.32Å; V670-L704 HydrophobicContact CB-CD2 4.48Å; V670-L704 HydrophobicContact CG1-CD1 3.78Å; V670-L704 HydrophobicContact CG1-CD2 4.15Å; L671-L704 HydrophobicContact CB-CD2 4.13Å; L671-L704 HydrophobicContact CD1-CD2 4.12Å; L674-L704 HydrophobicContact CD1-CB 4.08Å; L674-L704 HydrophobicContact CD1-CD2 3.84Å; L674-L704 HydrophobicContact CD1-CG 4.47Å; I686-L704 HydrophobicContact CG2-CB 4.22Å; I686-L704 HydrophobicContact CG2-CD1 3.7Å; Y690-L704 HydrophobicContact CD2-CD1 4.4Å; Y690-L704 HydrophobicContact CE2-CD1 3.6Å; K700-L704 WeakPolarHBondContact O-CG 3.42Å; K700-L704 PolarHBondContact O-N 2.84Å; I701-L704 PolarHBondContact O-N 3.09Å; L704-V707 WeakPolarHBondContact O-CB 3.37Å; L704-V707 PolarHBondContact O-N 2.94Å; L704-L708 PolarHBondContact O-N 3Å
705F85.9Confident80.2Confident62 Ų6284.8 Ų84.827%0.27242%0.423SS..Hα-helixtrans-66.4-36.5173.4-75.6-5.7000112.9P683 I686 V687 I701 M702 V707 L708 R709P683-F705 HydrophobicContact CB-CE1 3.83Å; P683-F705 HydrophobicContact CB-CZ 4.06Å; I686-F705 HydrophobicContact CB-CE1 4.23Å; I686-F705 HydrophobicContact CD1-CD1 4.4Å; I686-F705 HydrophobicContact CD1-CE1 4.23Å; I686-F705 HydrophobicContact CG2-CE1 4.3Å; V687-F705 HydrophobicContact CG2-CE2 4.24Å; V687-F705 HydrophobicContact CG2-CZ 3.62Å; I701-F705 HydrophobicContact CG2-CD2 4.1Å; I701-F705 HydrophobicContact CG2-CE1 4.43Å; I701-F705 HydrophobicContact CG2-CE2 3.84Å; I701-F705 HydrophobicContact CG2-CZ 4.05Å; I701-F705 WeakPolarHBondContact O-CG 3.04Å; I701-F705 PolarHBondContact O-N 2.57Å; M702-F705 PolarHBondContact O-N 3.32Å; F705-V707 VanDerWaalsContact C-N 3.27Å; F705-V707 PolarHBondContact O-N 2.78Å; F705-L708 HydrophobicContact CD1-CD1 4.16Å; F705-L708 PolarHBondContact O-N 3.25Å; F705-R709 WeakPolarHBondContact O-CB 3.22Å; F705-R709 PolarHBondContact O-N 3.29Å
706C84.8Confident80.1Confident79 Ų7985.1 Ų85.153%0.53441%0.411SS..Hα-helixtrans-61.2-36.6171.1-75.40000112M702 Q703 K710M702-C706 PolarHBondContact O-N 3.29Å; M702-C706 PolarHBondContact O-SG 3.49Å; Q703-C706 WeakPolarHBondContact O-CB 3.24Å; Q703-C706 PolarHBondContact O-N 3.14Å; C706-K710 WeakPolarHBondContact O-CG 3.14Å; C706-K710 PolarHBondContact O-N 3.46Å
707V82.3Confident79.9Confident26 Ų2680.9 Ų80.916%0.15839%0.394CS..Hα-helixtrans-66.3-50.5174.3173.60000110.7L671 Q703 L704 F705 R709 K710 V711L671-V707 HydrophobicContact CD1-CG2 3.83Å; Q703-V707 WeakPolarHBondContact O-CG2 3.48Å; Q703-V707 PolarHBondContact O-N 3.49Å; Q703-V707 VanDerWaalsContact O-N 3.1Å; L704-V707 WeakPolarHBondContact O-CB 3.37Å; L704-V707 PolarHBondContact O-N 2.94Å; F705-V707 VanDerWaalsContact C-N 3.27Å; F705-V707 PolarHBondContact O-N 2.78Å; V707-R709 VanDerWaalsContact C-N 3.28Å; V707-R709 PolarHBondContact O-N 3.09Å; V707-K710 WeakPolarHBondContact O-CB 3.02Å; V707-K710 PolarHBondContact O-N 3.12Å; V707-V711 HydrophobicContact CG1-CG2 4.49Å; V707-V711 WeakPolarHBondContact O-CG2 3.34Å; V707-V711 PolarHBondContact O-N 3.06Å
708L82.2Confident79.7Confident1 Ų184.2 Ų84.21%0.00541%0.411CS..Hα-helixtrans-55.8-41.9177.2-77.5178.1000112.8L674 P678 P683 I686 L704 F705 V711 G712 I713L674-L708 HydrophobicContact CD1-CG 4.37Å; L674-L708 HydrophobicContact CD2-CD2 3.79Å; L674-L708 HydrophobicContact CD2-CG 4.38Å; P678-L708 HydrophobicContact CB-CD2 4.23Å; P683-L708 HydrophobicContact CG-CD1 4.38Å; I686-L708 HydrophobicContact CD1-CD1 3.56Å; I686-L708 HydrophobicContact CD1-CG 4.45Å; L704-L708 PolarHBondContact O-N 3Å; F705-L708 HydrophobicContact CD1-CD1 4.16Å; F705-L708 PolarHBondContact O-N 3.25Å; L708-V711 PolarHBondContact O-N 2.89Å; L708-G712 PolarHBondContact O-N 3.26Å; L708-I713 HydrophobicContact CD2-CB 4.4Å; L708-I713 HydrophobicContact CD2-CD1 4.3Å; L708-I713 HydrophobicContact CD2-CG2 4.47Å; L708-I713 PolarHBondContact O-N 3.44Å
709R81.7Confident79.5Confident185 Ų18582.2 Ų82.270%0.69841%0.409SS*.Hα-helixtrans-64.4-41175.5-172.2179.6179.2-174.10.1112.4F705 V707 V711 G712 F714F705-R709 WeakPolarHBondContact O-CB 3.22Å; F705-R709 PolarHBondContact O-N 3.29Å; V707-R709 VanDerWaalsContact C-N 3.28Å; V707-R709 PolarHBondContact O-N 3.09Å; R709-V711 VanDerWaalsContact C-N 3.26Å; R709-V711 PolarHBondContact O-N 3.1Å; R709-G712 PolarHBondContact O-N 2.84Å; R709-F714 HydrophobicContact CB-CB 4.26Å
710K78Confident79.1Confident188 Ų18879.8 Ų79.882%0.81740%0.4SS*.Hα-helixtrans-64.1-31.1176.4-81.4-177177.4-175.50112.8C706 V707 G712C706-K710 WeakPolarHBondContact O-CG 3.14Å; C706-K710 PolarHBondContact O-N 3.46Å; V707-K710 WeakPolarHBondContact O-CB 3.02Å; V707-K710 PolarHBondContact O-N 3.12Å; K710-G712 VanDerWaalsContact C-N 3.32Å
711V76.1Confident78.8Confident79 Ų7982.3 Ų82.348%0.47942%0.415SS..Hα-helixtrans-84.8-6.5179.7-174.80000112.3P678 V707 L708 R709P678-V711 HydrophobicContact CB-CG1 4.02Å; P678-V711 HydrophobicContact CG-CG1 3.67Å; V707-V711 HydrophobicContact CG1-CG2 4.49Å; V707-V711 WeakPolarHBondContact O-CG2 3.34Å; V707-V711 PolarHBondContact O-N 3.06Å; L708-V711 PolarHBondContact O-N 2.89Å; R709-V711 VanDerWaalsContact C-N 3.26Å; R709-V711 PolarHBondContact O-N 3.1Å
712G73.1Confident78.4Confident61 Ų6187.9 Ų87.963%0.62944%0.443SS*.THydrogen-bonded Turntrans83.318174.900000115L708 R709 K710 F714L708-G712 PolarHBondContact O-N 3.26Å; R709-G712 PolarHBondContact O-N 2.84Å; K710-G712 VanDerWaalsContact C-N 3.32Å; G712-F714 VanDerWaalsContact C-N 3.26Å
713I65.1Low77.7Confident58 Ų5886.1 Ų86.130%0.29744%0.435SS..  trans-79.2-16169.2-64.5-160.6000111.4P678 H679 L708P678-I713 HydrophobicContact CB-CD1 3.43Å; P678-I713 VanDerWaalsContact CB-CD1 3.43Å; P678-I713 HydrophobicContact CB-CG1 4.27Å; P678-I713 HydrophobicContact CG-CD1 3.71Å; P678-I713 HydrophobicContact CG-CG1 4.43Å; P678-I713 VanDerWaalsContact O-CD1 3.26Å; P678-I713 WeakPolarHBondContact O-CD1 3.35Å; H679-I713 WeakPolarHBondContact ND1-CD1 2.89Å; L708-I713 HydrophobicContact CD2-CB 4.4Å; L708-I713 HydrophobicContact CD2-CD1 4.3Å; L708-I713 HydrophobicContact CD2-CG2 4.47Å; L708-I713 PolarHBondContact O-N 3.44Å
714F52.6Low77Confident181 Ų18184.5 Ų84.579%0.79443%0.43SS*.  trans-132.10-176.4-141.8-79.7000112.4P683 R709 G712P683-F714 HydrophobicContact CG-CD2 4.47Å; P683-F714 HydrophobicContact CG-CE2 4.37Å; R709-F714 HydrophobicContact CB-CB 4.26Å; G712-F714 VanDerWaalsContact C-N 3.26Å

Retrieved 714 of 714 residues in 1217.9 ms (Link to these results)

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