A0A077ZLM9_TRITR Loading...

oligopeptidase A

AlphaFold DB , UniProt , Accession A0A077ZLM9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 670 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
1M55.2Low91Very high224 Ų22477.9 Ų77.9100%1.10342%0.422SS*.  0145.90-74.6179.2-168.900108.1
2T87Confident91.6Very high115 Ų11571.6 Ų71.671%0.70639%0.388SS*.  trans-75.9121.2173.7-49.90000108.5P4 T7T2-P4 WeakPolarHBondContact O-CD 3.46Å; T2-T7 HydrophobicContact CG2-CG2 3.33Å
3N96.5Very high92Very high20 Ų2067.3 Ų67.311%0.10737%0.366CS..  trans-70.9117.3175.5-177.1-29000108.9L5 L6 T7 H21N3-L5 PolarHBondContact O-N 2.94Å; N3-L5 WeakPolarHBondContact OD1-CB 3.49Å; N3-L5 PolarHBondContact OD1-N 3.19Å; N3-L6 HydrophobicContact CB-CB 4.24Å; N3-L6 HydrophobicContact CB-CD1 4.08Å; N3-L6 HydrophobicContact CB-CG 4.21Å; N3-L6 PolarHBondContact O-N 3.12Å; N3-T7 PolarHBondContact O-N 2.91Å; N3-H21 PolarHBondContact ND2-O 3.08Å
4P96.8Very high92.4Very high12 Ų1262.9 Ų62.98%0.07834%0.342CS..G310 helixtrans-66.4-24.5-174.826-32.4000113.4T2 L6 T7 P13 K16 H21T2-P4 WeakPolarHBondContact O-CD 3.46Å; P4-L6 VanDerWaalsContact C-N 3.27Å; P4-L6 PolarHBondContact O-N 2.77Å; P4-T7 PolarHBondContact O-N 3.24Å; P4-T7 PolarHBondContact O-OG1 3.35Å; P4-P13 HydrophobicContact CB-CG 4.12Å; P4-K16 HydrophobicContact CB-CB 3.98Å; P4-K16 HydrophobicContact CG-CB 4.01Å; P4-K16 VanDerWaalsContact CG-O 3.28Å; P4-K16 WeakPolarHBondContact CG-O 3.29Å; P4-H21 VanDerWaalsContact CD-CE1 3.47Å; P4-H21 WeakPolarHBondContact CD-CE1 3.39Å; P4-H21 WeakPolarHBondContact CD-ND1 3.32Å
5L97.2Very high92.7Very high4 Ų464.3 Ų64.32%0.02136%0.358CS..G310 helixtrans-71.2-25.1174-69168.9000112.1N3 I17 H21 A25 I66 V70N3-L5 PolarHBondContact O-N 2.94Å; N3-L5 WeakPolarHBondContact OD1-CB 3.49Å; N3-L5 PolarHBondContact OD1-N 3.19Å; L5-I17 HydrophobicContact CD1-CG2 4.24Å; L5-I17 HydrophobicContact CD2-CD1 3.75Å; L5-I17 HydrophobicContact CD2-CG1 3.91Å; L5-I17 HydrophobicContact CG-CG1 4.24Å; L5-H21 HydrophobicContact CD1-CB 4.37Å; L5-A25 HydrophobicContact CB-CB 3.59Å; L5-A25 HydrophobicContact CD1-CB 3.82Å; L5-A25 HydrophobicContact CG-CB 4.37Å; L5-I66 HydrophobicContact CB-CG1 4.46Å; L5-I66 HydrophobicContact CB-CG2 4.28Å; L5-I66 HydrophobicContact CD1-CG2 4.44Å; L5-I66 WeakPolarHBondContact O-CG1 3.2Å; L5-V70 HydrophobicContact CD1-CG2 3.89Å
6L96.7Very high92.9Very high77 Ų7768.4 Ų68.440%0.40337%0.371SS..G310 helixtrans-93.8-0.5178.5-65178.6000113.3N3 P4 A25 K28 I66N3-L6 HydrophobicContact CB-CB 4.24Å; N3-L6 HydrophobicContact CB-CD1 4.08Å; N3-L6 HydrophobicContact CB-CG 4.21Å; N3-L6 PolarHBondContact O-N 3.12Å; P4-L6 VanDerWaalsContact C-N 3.27Å; P4-L6 PolarHBondContact O-N 2.77Å; L6-A25 HydrophobicContact CD2-CB 4.15Å; L6-A25 HydrophobicContact CG-CB 4.07Å; L6-K28 HydrophobicContact CD1-CB 4.2Å; L6-K28 HydrophobicContact CD1-CG 4.23Å; L6-K28 HydrophobicContact CD2-CB 4.04Å; L6-K28 HydrophobicContact CD2-CG 3.96Å; L6-I66 HydrophobicContact CD2-CD1 4.04Å
7T94.7Very high93.2Very high51 Ų5165.3 Ų65.331%0.31335%0.354SS..SBendtrans-91.6141.6171.555.70000110.1T2 N3 P4 F9T2-T7 HydrophobicContact CG2-CG2 3.33Å; N3-T7 PolarHBondContact O-N 2.91Å; P4-T7 PolarHBondContact O-N 3.24Å; P4-T7 PolarHBondContact O-OG1 3.35Å; T7-F9 WeakPolarHBondContact O-CD1 3.37Å; T7-F9 PolarHBondContact O-N 3.47Å
8P91.3Very high93.5Very high138 Ų13865.7 Ų65.790%0.89636%0.355SS*.  trans-57.2128.1172.5-24.734.3000111.5
9F95.1Very high93.7Very high41 Ų4164.2 Ų64.218%0.1835%0.349CS..  trans-139.8151.9172.653.9-100.1000109.2T7 L11 P13 R65T7-F9 WeakPolarHBondContact O-CD1 3.37Å; T7-F9 PolarHBondContact O-N 3.47Å; F9-L11 VanDerWaalsContact CD2-O 3.32Å; F9-L11 WeakPolarHBondContact CD2-O 3.27Å; F9-P13 HydrophobicContact CD1-CG 4.2Å; F9-R65 WeakPolarHBondContact CZ-O 3.48Å; F9-R65 PolarHBondContact O-NH2 3.39Å
10E92.7Very high93.9Very high144 Ų14466.8 Ų66.867%0.67336%0.359SS*.SBendtrans-84.7-46.4173.7-177.1-178178.500111.5R65E10-R65 VanDerWaalsContact C-NH2 3.32Å; E10-R65 PolarHBondContact O-NH2 3.15Å
11L97.8Very high94.1Very high31 Ų3164.5 Ų64.516%0.16235%0.346CS..SBendtrans-116.5149.9173-66177.2000109.9F9 V384 F393 V441F9-L11 VanDerWaalsContact CD2-O 3.32Å; F9-L11 WeakPolarHBondContact CD2-O 3.27Å; L11-V384 HydrophobicContact CD1-CG1 3.8Å; L11-V384 HydrophobicContact CD1-CG2 4.08Å; L11-F393 HydrophobicContact CD1-CE1 4.12Å; L11-F393 HydrophobicContact CD1-CE2 3.96Å; L11-F393 HydrophobicContact CD1-CZ 3.58Å; L11-F393 HydrophobicContact CD2-CE2 4.04Å; L11-F393 HydrophobicContact CD2-CZ 3.91Å; L11-F393 HydrophobicContact CG-CZ 4.43Å; L11-V441 HydrophobicContact CD2-CG1 4.22Å; L11-V441 HydrophobicContact CD2-CG2 3.91Å
12P97.9Very high96.2Very high2 Ų253.8 Ų53.81%0.01329%0.293CS..  trans-61.1133.2-175.2-22.933000113F14 P69P12-F14 HydrophobicContact CB-CD2 3.97Å; P12-F14 HydrophobicContact CB-CE1 4.22Å; P12-F14 HydrophobicContact CB-CE2 3.63Å; P12-F14 HydrophobicContact CB-CG 4.41Å; P12-F14 HydrophobicContact CB-CZ 3.76Å; P12-F14 HydrophobicContact CG-CE2 3.92Å; P12-F14 HydrophobicContact CG-CZ 3.96Å; P12-F14 WeakPolarHBondContact O-CD2 3.49Å; P12-F14 PolarHBondContact O-N 3.33Å; P12-P69 HydrophobicContact CB-CB 3.83Å; P12-P69 HydrophobicContact CB-CG 3.54Å; P12-P69 HydrophobicContact CG-CB 4.17Å; P12-P69 HydrophobicContact CG-CG 3.45Å; P12-P69 VanDerWaalsContact CG-CG 3.45Å
13P97.2Very high96.7Very high16 Ų1650 Ų5010%0.10427%0.269CS..  trans-82.163177.934.7-36.5000111.1P4 F9 S15 K16 I17 D385P4-P13 HydrophobicContact CB-CG 4.12Å; F9-P13 HydrophobicContact CD1-CG 4.2Å; P13-S15 VanDerWaalsContact C-N 3.3Å; P13-S15 PolarHBondContact O-N 3.43Å; P13-S15 VanDerWaalsContact O-N 3.16Å; P13-K16 HydrophobicContact CB-CB 4.34Å; P13-K16 HydrophobicContact CB-CD 4.19Å; P13-K16 HydrophobicContact CB-CG 4.45Å; P13-K16 WeakPolarHBondContact O-CB 3.45Å; P13-K16 PolarHBondContact O-N 3.44Å; P13-I17 PolarHBondContact O-N 2.69Å; P13-D385 WeakPolarHBondContact CA-OD2 3.47Å
14F98.1Very high96.8Very high6 Ų652.3 Ų52.33%0.02629%0.286CS..G310 helixtrans-48.5-44.3-170.4-75.8-71.2000114.5P12 K16 I17 P69 L73 D385 W387 Y408 Y443P12-F14 HydrophobicContact CB-CD2 3.97Å; P12-F14 HydrophobicContact CB-CE1 4.22Å; P12-F14 HydrophobicContact CB-CE2 3.63Å; P12-F14 HydrophobicContact CB-CG 4.41Å; P12-F14 HydrophobicContact CB-CZ 3.76Å; P12-F14 HydrophobicContact CG-CE2 3.92Å; P12-F14 HydrophobicContact CG-CZ 3.96Å; P12-F14 WeakPolarHBondContact O-CD2 3.49Å; P12-F14 PolarHBondContact O-N 3.33Å; F14-K16 PolarHBondContact O-N 2.62Å; F14-K16 VanDerWaalsContact O-N 3.13Å; F14-I17 HydrophobicContact CD1-CD1 4.35Å; F14-I17 PolarHBondContact O-N 3.31Å; F14-P69 HydrophobicContact CE1-CB 3.86Å; F14-P69 HydrophobicContact CZ-CB 4.28Å; F14-L73 HydrophobicContact CD1-CD1 4.12Å; F14-L73 HydrophobicContact CD1-CD2 3.9Å; F14-L73 HydrophobicContact CD1-CG 3.92Å; F14-L73 HydrophobicContact CE1-CD2 4.42Å; F14-L73 HydrophobicContact CE1-CG 4.17Å; F14-D385 WeakPolarHBondContact CD2-O 3.15Å; F14-D385 PolarHBondContact N-OD2 3.48Å; F14-W387 HydrophobicContact CB-CB 4.37Å; F14-W387 HydrophobicContact CD1-CB 4.36Å; F14-W387 AromaticContact CD1-CE3 3.84Å; F14-W387 HydrophobicContact CD1-CE3 3.84Å; F14-W387 AromaticContact CD2-CE3 3.71Å; F14-W387 HydrophobicContact CD2-CE3 3.71Å; F14-W387 HydrophobicContact CD2-CZ3 4.1Å; F14-W387 AromaticContact CE1-CE3 3.7Å; F14-W387 HydrophobicContact CE1-CE3 3.7Å; F14-W387 HydrophobicContact CE1-CZ3 4.11Å; F14-W387 AromaticContact CE2-CE3 3.56Å; F14-W387 HydrophobicContact CE2-CE3 3.56Å; F14-W387 AromaticContact CE2-CZ3 3.5Å; F14-W387 HydrophobicContact CE2-CZ3 3.5Å; F14-W387 HydrophobicContact CG-CB 4.45Å; F14-W387 AromaticContact CG-CE3 3.85Å; F14-W387 HydrophobicContact CG-CE3 3.85Å; F14-W387 AromaticContact CZ-CE3 3.55Å; F14-W387 HydrophobicContact CZ-CE3 3.55Å; F14-W387 AromaticContact CZ-CZ3 3.51Å; F14-W387 HydrophobicContact CZ-CZ3 3.51Å; F14-Y408 HydrophobicContact CD2-CE1 4.4Å; F14-Y408 AromaticContact CE2-CE1 3.95Å; F14-Y408 HydrophobicContact CE2-CE1 3.95Å; F14-Y408 HydrophobicContact CE2-CE2 4.27Å; F14-Y408 AromaticContact CE2-CZ 3.78Å; F14-Y443 HydrophobicContact CE2-CE1 4.35Å; F14-Y443 AromaticContact CZ-CE1 3.72Å; F14-Y443 HydrophobicContact CZ-CE1 3.72Å
15S96Very high96.9Very high83 Ų8351.8 Ų51.858%0.5828%0.282SS*.G310 helixtrans-62.6-18.5179.265.10000114.3P13 D385P13-S15 VanDerWaalsContact C-N 3.3Å; P13-S15 PolarHBondContact O-N 3.43Å; P13-S15 VanDerWaalsContact O-N 3.16Å; S15-D385 WeakPolarHBondContact CB-OD1 3.25Å; S15-D385 WeakPolarHBondContact CB-OD2 3.29Å; S15-D385 PolarHBondContact N-OD1 2.79Å; S15-D385 PolarHBondContact N-OD2 2.99Å; S15-D385 VanDerWaalsContact OG-CG 3.26Å; S15-D385 PolarHBondContact OG-OD1 2.86Å; S15-D385 PolarHBondContact OG-OD2 3.36Å
16K96.9Very high97Very high130 Ų13051.6 Ų51.657%0.56528%0.281SS*.G310 helixtrans-102.1-13.8-177.9-55.3-179.7-172.5165.90113P4 P13 F14 L18 H21P4-K16 HydrophobicContact CB-CB 3.98Å; P4-K16 HydrophobicContact CG-CB 4.01Å; P4-K16 VanDerWaalsContact CG-O 3.28Å; P4-K16 WeakPolarHBondContact CG-O 3.29Å; P13-K16 HydrophobicContact CB-CB 4.34Å; P13-K16 HydrophobicContact CB-CD 4.19Å; P13-K16 HydrophobicContact CB-CG 4.45Å; P13-K16 WeakPolarHBondContact O-CB 3.45Å; P13-K16 PolarHBondContact O-N 3.44Å; F14-K16 PolarHBondContact O-N 2.62Å; F14-K16 VanDerWaalsContact O-N 3.13Å; K16-L18 PolarHBondContact O-N 2.83Å; K16-H21 PolarHBondContact O-ND1 2.69Å
17I97.6Very high97.1Very high16 Ų1650.2 Ų50.28%0.08228%0.276CS..  trans-72.5122178.4-59.8170.6000108L5 P13 F14 P69 L73L5-I17 HydrophobicContact CD1-CG2 4.24Å; L5-I17 HydrophobicContact CD2-CD1 3.75Å; L5-I17 HydrophobicContact CD2-CG1 3.91Å; L5-I17 HydrophobicContact CG-CG1 4.24Å; P13-I17 PolarHBondContact O-N 2.69Å; F14-I17 HydrophobicContact CD1-CD1 4.35Å; F14-I17 PolarHBondContact O-N 3.31Å; I17-P69 HydrophobicContact CD1-CB 3.86Å; I17-L73 HydrophobicContact CB-CD1 3.99Å; I17-L73 HydrophobicContact CD1-CD1 4.1Å; I17-L73 HydrophobicContact CG2-CD1 3.84Å
18L97.7Very high97.3Very high72 Ų7252.2 Ų52.238%0.37728%0.281SS..  trans-121.6153.2178-57.7176.7000108.5K16 E20 H21K16-L18 PolarHBondContact O-N 2.83Å; L18-E20 VanDerWaalsContact C-N 3.26Å; L18-E20 HydrophobicContact CB-CG 4.39Å; L18-E20 VanDerWaalsContact CB-OE2 3.24Å; L18-E20 WeakPolarHBondContact CB-OE2 3.41Å; L18-E20 WeakPolarHBondContact CD1-OE1 3.32Å; L18-E20 PolarHBondContact O-N 3.48Å; L18-H21 PolarHBondContact N-ND1 3.3Å; L18-H21 VanDerWaalsContact O-CB 3.28Å; L18-H21 WeakPolarHBondContact O-CB 3.47Å; L18-H21 PolarHBondContact O-N 3.07Å
19P98Very high97.6Very high37 Ų3745.8 Ų45.824%0.2424%0.239CC..Hα-helixtrans-52.2-40.2-179.5-28.936.8000114H21 V22 E81 L82 A85P19-H21 PolarHBondContact O-N 3.21Å; P19-H21 VanDerWaalsContact O-N 3.14Å; P19-V22 WeakPolarHBondContact O-CB 3.2Å; P19-V22 PolarHBondContact O-N 3.29Å; P19-V22 VanDerWaalsContact O-N 3.12Å; P19-E81 HydrophobicContact CB-CB 4.18Å; P19-E81 HydrophobicContact CG-CB 3.87Å; P19-L82 HydrophobicContact CG-CB 4.47Å; P19-A85 HydrophobicContact CB-CB 4.02Å; P19-A85 WeakPolarHBondContact O-CB 3.37Å
20E97.9Very high97.8Very high116 Ų11644.1 Ų44.154%0.54223%0.232SC..Hα-helixtrans-65.9-15.7178.966.3-92.7-145.200114.2L18 P24L18-E20 VanDerWaalsContact C-N 3.26Å; L18-E20 HydrophobicContact CB-CG 4.39Å; L18-E20 VanDerWaalsContact CB-OE2 3.24Å; L18-E20 WeakPolarHBondContact CB-OE2 3.41Å; L18-E20 WeakPolarHBondContact CD1-OE1 3.32Å; L18-E20 PolarHBondContact O-N 3.48Å; E20-P24 VanDerWaalsContact O-CD 3.29Å; E20-P24 WeakPolarHBondContact O-CD 3.12Å; E20-P24 WeakPolarHBondContact O-CG 3.47Å
21H98.4Very high98Very high19 Ų1940.8 Ų40.89%0.08822%0.219CC..Hα-helixtrans-82.4-24.5176.3-62150.4000112.8N3 P4 L5 K16 L18 P19 A25N3-H21 PolarHBondContact ND2-O 3.08Å; P4-H21 VanDerWaalsContact CD-CE1 3.47Å; P4-H21 WeakPolarHBondContact CD-CE1 3.39Å; P4-H21 WeakPolarHBondContact CD-ND1 3.32Å; L5-H21 HydrophobicContact CD1-CB 4.37Å; K16-H21 PolarHBondContact O-ND1 2.69Å; L18-H21 PolarHBondContact N-ND1 3.3Å; L18-H21 VanDerWaalsContact O-CB 3.28Å; L18-H21 WeakPolarHBondContact O-CB 3.47Å; L18-H21 PolarHBondContact O-N 3.07Å; P19-H21 PolarHBondContact O-N 3.21Å; P19-H21 VanDerWaalsContact O-N 3.14Å; H21-A25 WeakPolarHBondContact O-CB 3.46Å; H21-A25 PolarHBondContact O-N 3.11Å; H21-A25 VanDerWaalsContact O-N 3.12Å
22V98.5Very high98.1Very high0 Ų041.5 Ų41.50%022%0.223CC..Hα-helixtrans-64.2-62.4-168172.30000111.6P19 A25 V26 V70 L82 A85 T89P19-V22 WeakPolarHBondContact O-CB 3.2Å; P19-V22 PolarHBondContact O-N 3.29Å; P19-V22 VanDerWaalsContact O-N 3.12Å; V22-A25 PolarHBondContact O-N 3.42Å; V22-V26 WeakPolarHBondContact O-CG2 3.39Å; V22-V26 PolarHBondContact O-N 3.23Å; V22-V70 HydrophobicContact CB-CG1 4.4Å; V22-V70 HydrophobicContact CG1-CG1 3.55Å; V22-V70 HydrophobicContact CG1-CG2 4.33Å; V22-V70 HydrophobicContact CG2-CG1 3.94Å; V22-V70 HydrophobicContact CG2-CG2 4.04Å; V22-L82 HydrophobicContact CG2-CD1 4.45Å; V22-A85 HydrophobicContact CB-CB 4.08Å; V22-A85 HydrophobicContact CG1-CB 4.39Å; V22-A85 HydrophobicContact CG2-CB 4.34Å; V22-T89 HydrophobicContact CG1-CG2 3.61Å
23V98.6Very high98.1Very high34 Ų3441.4 Ų41.421%0.20622%0.222CC..Hα-helixtrans-60.1-48.8-175.5179.90000111.4A25 V26 T27 Q88 T89 L92V23-A25 VanDerWaalsContact C-N 3.31Å; V23-A25 PolarHBondContact O-N 3.21Å; V23-V26 PolarHBondContact O-N 3.15Å; V23-T27 WeakPolarHBondContact O-CB 3.48Å; V23-T27 PolarHBondContact O-N 2.68Å; V23-T27 PolarHBondContact O-OG1 3.29Å; V23-Q88 HydrophobicContact CG2-CB 3.67Å; V23-T89 HydrophobicContact CG2-CG2 4.24Å; V23-L92 HydrophobicContact CG1-CD1 4.39Å
24P98.5Very high98.2Very high70 Ų7042.9 Ų42.946%0.45523%0.225SC..Hα-helixtrans-60.6-36.4177.9-2535.9000114.2E20 K28E20-P24 VanDerWaalsContact O-CD 3.29Å; E20-P24 WeakPolarHBondContact O-CD 3.12Å; E20-P24 WeakPolarHBondContact O-CG 3.47Å; P24-K28 WeakPolarHBondContact O-CB 3.49Å; P24-K28 PolarHBondContact O-N 3.13Å; P24-K28 VanDerWaalsContact O-N 3.14Å
25A98.5Very high98.2Very high0 Ų048.9 Ų48.90%025%0.254CS..Hα-helixtrans-68.3-48.2178.400000111.5L5 L6 H21 V22 V23 K28 A29 I66L5-A25 HydrophobicContact CB-CB 3.59Å; L5-A25 HydrophobicContact CD1-CB 3.82Å; L5-A25 HydrophobicContact CG-CB 4.37Å; L6-A25 HydrophobicContact CD2-CB 4.15Å; L6-A25 HydrophobicContact CG-CB 4.07Å; H21-A25 WeakPolarHBondContact O-CB 3.46Å; H21-A25 PolarHBondContact O-N 3.11Å; H21-A25 VanDerWaalsContact O-N 3.12Å; V22-A25 PolarHBondContact O-N 3.42Å; V23-A25 VanDerWaalsContact C-N 3.31Å; V23-A25 PolarHBondContact O-N 3.21Å; A25-K28 PolarHBondContact O-N 2.79Å; A25-A29 PolarHBondContact O-N 3.42Å; A25-I66 HydrophobicContact CB-CG2 3.87Å
26V98.6Very high98.3Very high0 Ų045.9 Ų45.90%023%0.231CC..Hα-helixtrans-63.7-46.5179.2173.70000110.7V22 V23 K28 A29 L30 I66 F67 T89 L93V22-V26 WeakPolarHBondContact O-CG2 3.39Å; V22-V26 PolarHBondContact O-N 3.23Å; V23-V26 PolarHBondContact O-N 3.15Å; V26-K28 VanDerWaalsContact C-N 3.32Å; V26-K28 PolarHBondContact O-N 2.71Å; V26-A29 PolarHBondContact O-N 3.17Å; V26-L30 HydrophobicContact CG1-CD1 3.7Å; V26-L30 HydrophobicContact CG1-CG 4.17Å; V26-L30 VanDerWaalsContact O-CG 3.24Å; V26-L30 WeakPolarHBondContact O-CG 3.18Å; V26-L30 PolarHBondContact O-N 2.94Å; V26-I66 HydrophobicContact CG2-CG2 4.19Å; V26-F67 HydrophobicContact CG2-CD2 4.11Å; V26-T89 HydrophobicContact CB-CG2 4.05Å; V26-T89 HydrophobicContact CG1-CG2 4.2Å; V26-T89 HydrophobicContact CG2-CG2 3.95Å; V26-L93 HydrophobicContact CG1-CD2 4.19Å; V26-L93 HydrophobicContact CG1-CG 4.29Å
27T98.6Very high98.4Very high49 Ų4939.8 Ų39.830%0.30121%0.205SC..Hα-helixtrans-57.6-43.8177-58.80000112.1V23 L30 N31V23-T27 WeakPolarHBondContact O-CB 3.48Å; V23-T27 PolarHBondContact O-N 2.68Å; V23-T27 PolarHBondContact O-OG1 3.29Å; T27-L30 PolarHBondContact O-N 3.3Å; T27-N31 VanDerWaalsContact O-CG 3.27Å; T27-N31 PolarHBondContact O-N 2.88Å; T27-N31 PolarHBondContact O-ND2 2.84Å
28K98.4Very high98.4Very high93 Ų9343.6 Ų43.640%0.40422%0.222SC..Hα-helixtrans-63.2-46.4178177.461.6171.573.10111.5L6 P24 A25 V26 L30 N31 D32L6-K28 HydrophobicContact CD1-CB 4.2Å; L6-K28 HydrophobicContact CD1-CG 4.23Å; L6-K28 HydrophobicContact CD2-CB 4.04Å; L6-K28 HydrophobicContact CD2-CG 3.96Å; P24-K28 WeakPolarHBondContact O-CB 3.49Å; P24-K28 PolarHBondContact O-N 3.13Å; P24-K28 VanDerWaalsContact O-N 3.14Å; A25-K28 PolarHBondContact O-N 2.79Å; V26-K28 VanDerWaalsContact C-N 3.32Å; V26-K28 PolarHBondContact O-N 2.71Å; K28-L30 PolarHBondContact O-N 2.94Å; K28-N31 PolarHBondContact O-N 2.94Å; K28-D32 IonicContact NZ-OD1 3.21Å; K28-D32 PolarHBondContact NZ-OD1 3.1Å; K28-D32 IonicContact NZ-OD2 2.71Å; K28-D32 PolarHBondContact NZ-OD2 3.26Å; K28-D32 VanDerWaalsContact O-CG 3.29Å; K28-D32 PolarHBondContact O-N 3.02Å
29A98.3Very high98.5Very high2 Ų246 Ų462%0.01723%0.226CC..Hα-helixtrans-61.6-43.317900000112A25 V26 N31 D32 C33 L63 I66A25-A29 PolarHBondContact O-N 3.42Å; V26-A29 PolarHBondContact O-N 3.17Å; A29-N31 VanDerWaalsContact C-N 3.33Å; A29-N31 PolarHBondContact O-N 3.12Å; A29-D32 WeakPolarHBondContact O-CB 3.4Å; A29-D32 PolarHBondContact O-N 2.74Å; A29-C33 PolarHBondContact O-N 3.43Å; A29-C33 PolarHBondContact O-SG 2.89Å; A29-C33 VanDerWaalsContact O-SG 3.35Å; A29-L63 HydrophobicContact CB-CB 4.3Å; A29-L63 HydrophobicContact CB-CD1 3.79Å; A29-I66 HydrophobicContact CB-CD1 3.78Å
30L98.7Very high98.5Very high6 Ų644.2 Ų44.23%0.03122%0.215CC..Hα-helixtrans-63.2-38.9176.6-65.4170.6000112.3V26 T27 K28 C33 R34 L63 L92 L93 Y96V26-L30 HydrophobicContact CG1-CD1 3.7Å; V26-L30 HydrophobicContact CG1-CG 4.17Å; V26-L30 VanDerWaalsContact O-CG 3.24Å; V26-L30 WeakPolarHBondContact O-CG 3.18Å; V26-L30 PolarHBondContact O-N 2.94Å; T27-L30 PolarHBondContact O-N 3.3Å; K28-L30 PolarHBondContact O-N 2.94Å; L30-C33 PolarHBondContact O-N 2.88Å; L30-R34 VanDerWaalsContact O-CG 3.32Å; L30-R34 WeakPolarHBondContact O-CG 3.25Å; L30-R34 PolarHBondContact O-N 3.11Å; L30-L63 HydrophobicContact CD2-CD1 3.89Å; L30-L63 HydrophobicContact CD2-CD2 3.66Å; L30-L63 HydrophobicContact CD2-CG 4.45Å; L30-L63 HydrophobicContact CG-CD1 4.19Å; L30-L92 HydrophobicContact CD1-CB 3.7Å; L30-L93 HydrophobicContact CD2-CD2 4.1Å; L30-Y96 HydrophobicContact CD2-CD1 3.46Å; L30-Y96 VanDerWaalsContact CD2-CD1 3.46Å; L30-Y96 HydrophobicContact CD2-CD2 4.2Å; L30-Y96 HydrophobicContact CD2-CE1 4.22Å; L30-Y96 HydrophobicContact CD2-CG 3.47Å; L30-Y96 VanDerWaalsContact CD2-CG 3.47Å
31N98.6Very high98.5Very high75 Ų7540 Ų4040%0.40120%0.197SC..Hα-helixtrans-64.2-42.5174.3-71-20000111.6T27 K28 A29 C33 R34 E35T27-N31 VanDerWaalsContact O-CG 3.27Å; T27-N31 PolarHBondContact O-N 2.88Å; T27-N31 PolarHBondContact O-ND2 2.84Å; K28-N31 PolarHBondContact O-N 2.94Å; A29-N31 VanDerWaalsContact C-N 3.33Å; A29-N31 PolarHBondContact O-N 3.12Å; N31-C33 VanDerWaalsContact C-N 3.33Å; N31-C33 PolarHBondContact O-N 2.88Å; N31-R34 PolarHBondContact O-N 3.38Å; N31-E35 WeakPolarHBondContact O-CG 3.42Å; N31-E35 PolarHBondContact O-N 3.26Å
32D98.4Very high98.4Very high46 Ų4643.1 Ų43.125%0.24623%0.226CC..Hα-helixtrans-61.1-43.1176-66-20.4000111.1K28 A29 R34 E35 N36 V59K28-D32 IonicContact NZ-OD1 3.21Å; K28-D32 PolarHBondContact NZ-OD1 3.1Å; K28-D32 IonicContact NZ-OD2 2.71Å; K28-D32 PolarHBondContact NZ-OD2 3.26Å; K28-D32 VanDerWaalsContact O-CG 3.29Å; K28-D32 PolarHBondContact O-N 3.02Å; A29-D32 WeakPolarHBondContact O-CB 3.4Å; A29-D32 PolarHBondContact O-N 2.74Å; D32-R34 PolarHBondContact O-N 3.35Å; D32-E35 PolarHBondContact O-N 2.94Å; D32-N36 VanDerWaalsContact O-CB 3.25Å; D32-N36 WeakPolarHBondContact O-CB 3.48Å; D32-N36 PolarHBondContact O-N 3.47Å; D32-V59 HydrophobicContact CB-CG2 4.03Å
33C98.6Very high98.3Very high0 Ų047.7 Ų47.70%025%0.247CC..Hα-helixtrans-58.8-46.3173.9-700000111.9A29 L30 N31 N36 V37 V59 Y96A29-C33 PolarHBondContact O-N 3.43Å; A29-C33 PolarHBondContact O-SG 2.89Å; A29-C33 VanDerWaalsContact O-SG 3.35Å; L30-C33 PolarHBondContact O-N 2.88Å; N31-C33 VanDerWaalsContact C-N 3.33Å; N31-C33 PolarHBondContact O-N 2.88Å; C33-N36 PolarHBondContact O-N 3.46Å; C33-V37 WeakPolarHBondContact O-CG2 3.48Å; C33-V37 PolarHBondContact O-N 3.07Å; C33-V59 HydrophobicContact CB-CG1 4.31Å; C33-V59 HydrophobicContact CB-CG2 4.38Å; C33-Y96 HydrophobicContact CB-CE1 4.4Å; C33-Y96 HydrophobicContact CB-CE2 3.56Å; C33-Y96 VanDerWaalsContact CB-CZ 3.5Å; C33-Y96 VanDerWaalsContact CB-OH 3.32Å; C33-Y96 WeakPolarHBondContact CB-OH 3.45Å
34R98.7Very high98Very high46 Ų4647.5 Ų47.517%0.17425%0.252CS..Hα-helixtrans-62.1-48.9178.4-70.6175.8-167-87.214.8112.1L30 N31 D32 N36 V37 E38 E95 Y96 W99L30-R34 VanDerWaalsContact O-CG 3.32Å; L30-R34 WeakPolarHBondContact O-CG 3.25Å; L30-R34 PolarHBondContact O-N 3.11Å; N31-R34 PolarHBondContact O-N 3.38Å; D32-R34 PolarHBondContact O-N 3.35Å; R34-N36 PolarHBondContact O-N 2.92Å; R34-V37 PolarHBondContact O-N 3.32Å; R34-E38 WeakPolarHBondContact O-CG 3.23Å; R34-E38 PolarHBondContact O-N 2.95Å; R34-E95 IonicContact CZ-OE1 2.95Å; R34-E95 IonicContact NH1-OE1 2.97Å; R34-E95 IonicContact NH2-OE1 3.36Å; R34-E95 PolarHBondContact NH2-OE1 2.74Å; R34-Y96 HydrophobicContact CG-CD2 3.91Å; R34-Y96 HydrophobicContact CG-CE2 4.07Å; R34-W99 HydrophobicContact CB-CH2 3.89Å; R34-W99 HydrophobicContact CB-CZ3 4.09Å; R34-W99 HydrophobicContact CG-CE3 3.97Å; R34-W99 HydrophobicContact CG-CH2 3.87Å; R34-W99 HydrophobicContact CG-CZ2 4.41Å; R34-W99 HydrophobicContact CG-CZ3 3.64Å; R34-W99 VanDerWaalsContact NH1-CD2 3.25Å
35E98.6Very high97.7Very high133 Ų13347.4 Ų47.462%0.62126%0.257SS*.Hα-helixtrans-57.8-39.4177.1-73.8179.7-170.600111.2N31 D32 R39N31-E35 WeakPolarHBondContact O-CG 3.42Å; N31-E35 PolarHBondContact O-N 3.26Å; D32-E35 PolarHBondContact O-N 2.94Å; E35-R39 WeakPolarHBondContact O-CB 3.49Å; E35-R39 PolarHBondContact O-N 3.36Å
36N98.3Very high97.6Very high20 Ų2051.5 Ų51.511%0.10728%0.284CS..Hα-helixtrans-70.7-40-179.9-161.945.2000112.8D32 C33 R34 R39 V40 P55 V59D32-N36 VanDerWaalsContact O-CB 3.25Å; D32-N36 WeakPolarHBondContact O-CB 3.48Å; D32-N36 PolarHBondContact O-N 3.47Å; C33-N36 PolarHBondContact O-N 3.46Å; R34-N36 PolarHBondContact O-N 2.92Å; N36-R39 PolarHBondContact O-N 3.5Å; N36-R39 VanDerWaalsContact OD1-CZ 3.3Å; N36-R39 PolarHBondContact OD1-NE 3.31Å; N36-R39 PolarHBondContact OD1-NH2 2.9Å; N36-V40 WeakPolarHBondContact O-CG1 3.22Å; N36-V40 WeakPolarHBondContact O-CG2 3.21Å; N36-V40 PolarHBondContact O-N 2.65Å; N36-P55 VanDerWaalsContact ND2-C 3.26Å; N36-P55 PolarHBondContact ND2-O 3.38Å; N36-V59 HydrophobicContact CB-CB 4.36Å; N36-V59 HydrophobicContact CB-CG1 3.95Å; N36-V59 HydrophobicContact CB-CG2 4.39Å; N36-V59 WeakPolarHBondContact ND2-CG1 3.46Å
37V98.7Very high97.5Very high1 Ų152.6 Ų52.61%0.00629%0.288CS..Hα-helixtrans-57.9-50.9172166.40000110.7C33 R34 R39 V40 V41 L56 W99 V100 H103 L106C33-V37 WeakPolarHBondContact O-CG2 3.48Å; C33-V37 PolarHBondContact O-N 3.07Å; R34-V37 PolarHBondContact O-N 3.32Å; V37-R39 VanDerWaalsContact C-N 3.29Å; V37-R39 PolarHBondContact O-N 3.3Å; V37-V40 VanDerWaalsContact O-CG2 3.23Å; V37-V40 WeakPolarHBondContact O-CG2 3.25Å; V37-V40 PolarHBondContact O-N 2.6Å; V37-V41 WeakPolarHBondContact O-CB 3.41Å; V37-V41 VanDerWaalsContact O-CG2 3.29Å; V37-V41 WeakPolarHBondContact O-CG2 2.91Å; V37-V41 PolarHBondContact O-N 3.27Å; V37-V41 VanDerWaalsContact O-N 3.07Å; V37-L56 HydrophobicContact CB-CD2 4.31Å; V37-L56 HydrophobicContact CG2-CD2 3.5Å; V37-L56 VanDerWaalsContact CG2-CD2 3.5Å; V37-W99 HydrophobicContact CB-CH2 3.73Å; V37-W99 HydrophobicContact CB-CZ3 4.02Å; V37-W99 HydrophobicContact CG1-CH2 3.61Å; V37-W99 HydrophobicContact CG1-CZ2 4.46Å; V37-W99 HydrophobicContact CG1-CZ3 4.03Å; V37-W99 HydrophobicContact CG2-CH2 4.32Å; V37-W99 HydrophobicContact CG2-CZ3 4.09Å; V37-V100 HydrophobicContact CG2-CG2 4.18Å; V37-H103 VanDerWaalsContact CG1-CD2 3.47Å; V37-H103 WeakPolarHBondContact CG1-CD2 3.23Å; V37-L106 HydrophobicContact CG1-CB 4.35Å; V37-L106 HydrophobicContact CG1-CD2 4.01Å; V37-L106 HydrophobicContact CG2-CD2 4.27Å
38E98.5Very high97.5Very high96 Ų9651.3 Ų51.345%0.44928%0.28SS..Hα-helixtrans-61.9-39.9178.6-67.4-66.117100111.5R34 V41 A42 H103R34-E38 WeakPolarHBondContact O-CG 3.23Å; R34-E38 PolarHBondContact O-N 2.95Å; E38-V41 PolarHBondContact O-N 3.44Å; E38-A42 VanDerWaalsContact O-CB 3.23Å; E38-A42 WeakPolarHBondContact O-CB 3.09Å; E38-A42 PolarHBondContact O-N 2.82Å; E38-H103 IonicContact OE1-NE2 3.68Å; E38-H103 PolarHBondContact OE1-NE2 2.89Å; E38-H103 IonicContact OE2-NE2 2.79Å
39R98.4Very high97.5Very high123 Ų12347.8 Ų47.846%0.46426%0.264SS..Hα-helixtrans-62.4-46.7177.7-176.4-174.37090.8-0.1112.5E35 N36 V37 A42 Q43E35-R39 WeakPolarHBondContact O-CB 3.49Å; E35-R39 PolarHBondContact O-N 3.36Å; N36-R39 PolarHBondContact O-N 3.5Å; N36-R39 VanDerWaalsContact OD1-CZ 3.3Å; N36-R39 PolarHBondContact OD1-NE 3.31Å; N36-R39 PolarHBondContact OD1-NH2 2.9Å; V37-R39 VanDerWaalsContact C-N 3.29Å; V37-R39 PolarHBondContact O-N 3.3Å; R39-A42 PolarHBondContact O-N 3.08Å; R39-Q43 WeakPolarHBondContact O-CG 3.4Å; R39-Q43 PolarHBondContact O-N 3.04Å
40V98.1Very high97.5Very high0 Ų053.9 Ų53.90%029%0.293CS..Hα-helixtrans-69-38.7-179.4-62.70000111.3N36 V37 A42 Q43 N51 L52 P55 L56 L106N36-V40 WeakPolarHBondContact O-CG1 3.22Å; N36-V40 WeakPolarHBondContact O-CG2 3.21Å; N36-V40 PolarHBondContact O-N 2.65Å; V37-V40 VanDerWaalsContact O-CG2 3.23Å; V37-V40 WeakPolarHBondContact O-CG2 3.25Å; V37-V40 PolarHBondContact O-N 2.6Å; V40-A42 VanDerWaalsContact C-N 3.34Å; V40-A42 PolarHBondContact O-N 3.49Å; V40-Q43 WeakPolarHBondContact O-CB 3.48Å; V40-Q43 PolarHBondContact O-N 3.34Å; V40-N51 WeakPolarHBondContact CG1-O 3.36Å; V40-L52 HydrophobicContact CB-CD1 4.48Å; V40-L52 HydrophobicContact CG2-CD1 4.04Å; V40-P55 HydrophobicContact CG1-CB 4.01Å; V40-P55 HydrophobicContact CG1-CG 4.23Å; V40-L56 HydrophobicContact CG2-CD1 4.19Å; V40-L56 HydrophobicContact CG2-CD2 4.01Å; V40-L56 HydrophobicContact CG2-CG 4.15Å; V40-L106 HydrophobicContact CG2-CD1 4.41Å
41V98Very high97.4Very high27 Ų2755.2 Ų55.216%0.16430%0.299CS..Hα-helixtrans-64.6-39175.8171.90000111.4V37 E38 Q43 G44 Y47 L106V37-V41 WeakPolarHBondContact O-CB 3.41Å; V37-V41 VanDerWaalsContact O-CG2 3.29Å; V37-V41 WeakPolarHBondContact O-CG2 2.91Å; V37-V41 PolarHBondContact O-N 3.27Å; V37-V41 VanDerWaalsContact O-N 3.07Å; E38-V41 PolarHBondContact O-N 3.44Å; V41-Q43 PolarHBondContact O-N 3.4Å; V41-G44 PolarHBondContact O-N 2.92Å; V41-Y47 PolarHBondContact O-OH 3.27Å; V41-Y47 VanDerWaalsContact O-OH 3.1Å; V41-L106 HydrophobicContact CG2-CB 4Å; V41-L106 HydrophobicContact CG2-CD1 4.16Å
42A97.6Very high97.4Very high85 Ų8551.6 Ų51.670%0.70228%0.28SS*.Hα-helixtrans-68.4-16.5-179.900000114.3E38 R39 V40 G44E38-A42 VanDerWaalsContact O-CB 3.23Å; E38-A42 WeakPolarHBondContact O-CB 3.09Å; E38-A42 PolarHBondContact O-N 2.82Å; R39-A42 PolarHBondContact O-N 3.08Å; V40-A42 VanDerWaalsContact C-N 3.34Å; V40-A42 PolarHBondContact O-N 3.49Å; A42-G44 VanDerWaalsContact C-N 3.25Å; A42-G44 PolarHBondContact O-N 2.93Å
43Q94.7Very high97.4Very high96 Ų9649.7 Ų49.745%0.44927%0.27SS..THydrogen-bonded Turntrans-66.7-29.3176.4-67.5179.422.700112.5R39 V40 V41R39-Q43 WeakPolarHBondContact O-CG 3.4Å; R39-Q43 PolarHBondContact O-N 3.04Å; V40-Q43 WeakPolarHBondContact O-CB 3.48Å; V40-Q43 PolarHBondContact O-N 3.34Å; V41-Q43 PolarHBondContact O-N 3.4Å
44G92.3Very high97.4Very high29 Ų2950.7 Ų50.730%0.29928%0.275SS..  trans74.5167.5-177.400000114V41 A42V41-G44 PolarHBondContact O-N 2.92Å; A42-G44 VanDerWaalsContact C-N 3.25Å; A42-G44 PolarHBondContact O-N 2.93Å
45A93.2Very high97.3Very high68 Ų6849.5 Ų49.556%0.56227%0.273SS*.SBendtrans-66.4154.9179.100000112.8Y47 D112A45-Y47 HydrophobicContact CB-CD2 4.28Å; A45-Y47 HydrophobicContact CB-CE2 4.17Å; A45-D112 WeakPolarHBondContact CB-OD1 3.39Å
46P95.6Very high97.3Very high86 Ų8643.5 Ų43.556%0.55825%0.245SC*.SBendcis-77.6136.62.131.1-34.5000112.8N51P46-N51 PolarHBondContact O-ND2 3.37Å; P46-N51 VanDerWaalsContact O-ND2 3.12Å
47Y98Very high97.3Very high24 Ų2443.5 Ų43.59%0.09425%0.248CC..PPolyproline II helixtrans-83.4145.1172.1-61.4-76.3000111.6V41 A45 N51 L52 A109 D112 L113V41-Y47 PolarHBondContact O-OH 3.27Å; V41-Y47 VanDerWaalsContact O-OH 3.1Å; A45-Y47 HydrophobicContact CB-CD2 4.28Å; A45-Y47 HydrophobicContact CB-CE2 4.17Å; Y47-N51 WeakPolarHBondContact CA-OD1 3.38Å; Y47-L52 HydrophobicContact CD1-CB 4.28Å; Y47-L52 HydrophobicContact CD1-CD1 4.35Å; Y47-L52 HydrophobicContact CD1-CD2 4.49Å; Y47-L52 HydrophobicContact CG-CD2 4.34Å; Y47-A109 HydrophobicContact CD1-CB 3.95Å; Y47-A109 HydrophobicContact CD2-CB 3.69Å; Y47-A109 HydrophobicContact CE1-CB 3.73Å; Y47-A109 VanDerWaalsContact CE2-CA 3.5Å; Y47-A109 HydrophobicContact CE2-CB 3.48Å; Y47-A109 VanDerWaalsContact CE2-CB 3.48Å; Y47-A109 HydrophobicContact CG-CB 3.92Å; Y47-A109 VanDerWaalsContact CZ-CB 3.49Å; Y47-D112 HydrophobicContact CD2-CB 3.9Å; Y47-D112 WeakPolarHBondContact CD2-OD1 3.04Å; Y47-D112 HydrophobicContact CE2-CB 4.44Å; Y47-L113 WeakPolarHBondContact O-CD1 3.2Å
48T98.1Very high97.3Very high22 Ų2246.3 Ų46.314%0.13526%0.261CS..  trans-135.6170.4-176.560.10000108.7E50 N51 L52 H118T48-E50 VanDerWaalsContact C-N 3.28Å; T48-E50 PolarHBondContact O-N 3.5Å; T48-N51 PolarHBondContact N-OD1 3.46Å; T48-N51 PolarHBondContact O-OD1 2.84Å; T48-N51 VanDerWaalsContact O-OD1 3.12Å; T48-N51 PolarHBondContact OG1-N 3.45Å; T48-N51 PolarHBondContact OG1-OD1 3.24Å; T48-L52 VanDerWaalsContact O-CB 3.32Å; T48-L52 WeakPolarHBondContact O-CB 3.17Å; T48-L52 PolarHBondContact O-N 2.91Å; T48-H118 HydrophobicContact CG2-CB 4.39Å
49W98Very high97.3Very high18 Ų1842.6 Ų42.67%0.06825%0.245CC..Iπ-helixtrans-58.1-45.3172-177.2-95.3000111.5N51 C53 Q54 L122 Q126 A129 V130 T484W49-N51 PolarHBondContact O-N 3.38Å; W49-C53 HydrophobicContact CD2-CB 3.74Å; W49-C53 HydrophobicContact CE3-CB 3.49Å; W49-C53 VanDerWaalsContact CE3-CB 3.49Å; W49-C53 HydrophobicContact CG-CB 4.41Å; W49-C53 HydrophobicContact CH2-CB 3.88Å; W49-C53 HydrophobicContact CZ2-CB 4.16Å; W49-C53 HydrophobicContact CZ3-CB 3.57Å; W49-C53 PolarHBondContact O-N 2.9Å; W49-Q54 WeakPolarHBondContact O-CB 3.5Å; W49-Q54 PolarHBondContact O-N 3.38Å; W49-L122 HydrophobicContact CB-CD2 3.71Å; W49-L122 HydrophobicContact CE3-CD2 4.28Å; W49-L122 HydrophobicContact CG-CD2 4.41Å; W49-Q126 VanDerWaalsContact CD1-NE2 3.34Å; W49-Q126 HydrophobicContact CD2-CB 4.34Å; W49-Q126 HydrophobicContact CD2-CG 3.79Å; W49-Q126 VanDerWaalsContact CD2-NE2 3.3Å; W49-Q126 HydrophobicContact CE3-CB 3.71Å; W49-Q126 HydrophobicContact CE3-CG 3.65Å; W49-Q126 VanDerWaalsContact CG-NE2 3.29Å; W49-Q126 HydrophobicContact CH2-CB 4.27Å; W49-Q126 HydrophobicContact CH2-CG 3.9Å; W49-Q126 HydrophobicContact CZ2-CG 3.99Å; W49-Q126 HydrophobicContact CZ3-CB 3.66Å; W49-Q126 HydrophobicContact CZ3-CG 3.7Å; W49-A129 HydrophobicContact CH2-CB 4.36Å; W49-A129 HydrophobicContact CZ3-CB 4.47Å; W49-V130 HydrophobicContact CZ3-CG2 4.38Å; W49-T484 HydrophobicContact CH2-CG2 3.39Å; W49-T484 HydrophobicContact CZ2-CG2 3.87Å; W49-T484 HydrophobicContact CZ3-CG2 4.37Å
50E97.4Very high97.3Very high131 Ų13140 Ų4061%0.61224%0.24SC*.Iπ-helixtrans-70.1-33-171.2-65.770.2-154.600113.1T48 P55T48-E50 VanDerWaalsContact C-N 3.28Å; T48-E50 PolarHBondContact O-N 3.5Å; E50-P55 WeakPolarHBondContact O-CD 3.28Å; E50-P55 WeakPolarHBondContact O-CG 3.23Å
51N97.4Very high97.2Very high33 Ų3341.1 Ų41.118%0.17625%0.246CC..Iπ-helixtrans-96.9-14-178.479.2-6.9000114.4V40 P46 Y47 T48 W49V40-N51 WeakPolarHBondContact CG1-O 3.36Å; P46-N51 PolarHBondContact O-ND2 3.37Å; P46-N51 VanDerWaalsContact O-ND2 3.12Å; Y47-N51 WeakPolarHBondContact CA-OD1 3.38Å; T48-N51 PolarHBondContact N-OD1 3.46Å; T48-N51 PolarHBondContact O-OD1 2.84Å; T48-N51 VanDerWaalsContact O-OD1 3.12Å; T48-N51 PolarHBondContact OG1-N 3.45Å; T48-N51 PolarHBondContact OG1-OD1 3.24Å; W49-N51 PolarHBondContact O-N 3.38Å
52L98.5Very high97.2Very high0 Ų043 Ų430%026%0.258CS..Iπ-helixtrans-117.9-68-179.2-179.464.3000112.4V40 Y47 T48 P55 L56 L106 A109 Y110 L113V40-L52 HydrophobicContact CB-CD1 4.48Å; V40-L52 HydrophobicContact CG2-CD1 4.04Å; Y47-L52 HydrophobicContact CD1-CB 4.28Å; Y47-L52 HydrophobicContact CD1-CD1 4.35Å; Y47-L52 HydrophobicContact CD1-CD2 4.49Å; Y47-L52 HydrophobicContact CG-CD2 4.34Å; T48-L52 VanDerWaalsContact O-CB 3.32Å; T48-L52 WeakPolarHBondContact O-CB 3.17Å; T48-L52 PolarHBondContact O-N 2.91Å; L52-P55 WeakPolarHBondContact O-CD 3.38Å; L52-L56 HydrophobicContact CD1-CD1 4.13Å; L52-L56 VanDerWaalsContact O-CD1 3.25Å; L52-L56 WeakPolarHBondContact O-CD1 3.27Å; L52-L56 WeakPolarHBondContact O-CG 3.4Å; L52-L106 HydrophobicContact CD1-CD1 3.75Å; L52-A109 HydrophobicContact CD1-CB 3.81Å; L52-A109 HydrophobicContact CD2-CB 3.97Å; L52-Y110 HydrophobicContact CD2-CD1 4.44Å; L52-Y110 HydrophobicContact CD2-CD2 4.18Å; L52-Y110 HydrophobicContact CD2-CE2 4.42Å; L52-Y110 HydrophobicContact CD2-CG 4.19Å; L52-Y110 HydrophobicContact CG-CE2 4.43Å; L52-L113 HydrophobicContact CD2-CB 4.23Å; L52-L113 HydrophobicContact CD2-CD2 4.13Å
53C98.4Very high97.2Very high5 Ų539.9 Ų39.93%0.03423%0.23CC..Iπ-helixtrans-74.7-43.8-168.9-59.50000112.8W49 L56 A57 L113W49-C53 HydrophobicContact CD2-CB 3.74Å; W49-C53 HydrophobicContact CE3-CB 3.49Å; W49-C53 VanDerWaalsContact CE3-CB 3.49Å; W49-C53 HydrophobicContact CG-CB 4.41Å; W49-C53 HydrophobicContact CH2-CB 3.88Å; W49-C53 HydrophobicContact CZ2-CB 4.16Å; W49-C53 HydrophobicContact CZ3-CB 3.57Å; W49-C53 PolarHBondContact O-N 2.9Å; C53-L56 PolarHBondContact O-N 2.9Å; C53-A57 WeakPolarHBondContact O-CB 3.45Å; C53-A57 PolarHBondContact O-N 3.2Å; C53-L113 VanDerWaalsContact SG-CD2 3.59Å
54Q98.3Very high97.4Very high22 Ų2237 Ų3710%0.10323%0.225CC..Hα-helixtrans-61.8-49.3-176.4-174.467.940.900112.5W49 L56 A57 E58 R431 A433W49-Q54 WeakPolarHBondContact O-CB 3.5Å; W49-Q54 PolarHBondContact O-N 3.38Å; Q54-L56 VanDerWaalsContact C-N 3.27Å; Q54-L56 PolarHBondContact O-N 3.03Å; Q54-A57 PolarHBondContact O-N 3.49Å; Q54-E58 PolarHBondContact NE2-OE1 3.02Å; Q54-E58 PolarHBondContact O-N 2.92Å; Q54-E58 VanDerWaalsContact O-N 3.11Å; Q54-R431 PolarHBondContact NE2-O 3.26Å; Q54-A433 HydrophobicContact CG-CB 4.04Å
55P98.3Very high97.6Very high21 Ų2137.2 Ų37.214%0.13622%0.217CC..Hα-helixtrans-65.1-33.1179.7-20.234.2000112.5N36 V40 E50 L52 V59N36-P55 VanDerWaalsContact ND2-C 3.26Å; N36-P55 PolarHBondContact ND2-O 3.38Å; V40-P55 HydrophobicContact CG1-CB 4.01Å; V40-P55 HydrophobicContact CG1-CG 4.23Å; E50-P55 WeakPolarHBondContact O-CD 3.28Å; E50-P55 WeakPolarHBondContact O-CG 3.23Å; L52-P55 WeakPolarHBondContact O-CD 3.38Å; P55-V59 PolarHBondContact O-N 2.87Å
56L98.5Very high97.9Very high6 Ų634.2 Ų34.23%0.03119%0.191CC..Hα-helixtrans-67.9-48.7176.8-67.9173.2000111.3V37 V40 L52 C53 Q54 E58 V59 D60 L106 Y110V37-L56 HydrophobicContact CB-CD2 4.31Å; V37-L56 HydrophobicContact CG2-CD2 3.5Å; V37-L56 VanDerWaalsContact CG2-CD2 3.5Å; V40-L56 HydrophobicContact CG2-CD1 4.19Å; V40-L56 HydrophobicContact CG2-CD2 4.01Å; V40-L56 HydrophobicContact CG2-CG 4.15Å; L52-L56 HydrophobicContact CD1-CD1 4.13Å; L52-L56 VanDerWaalsContact O-CD1 3.25Å; L52-L56 WeakPolarHBondContact O-CD1 3.27Å; L52-L56 WeakPolarHBondContact O-CG 3.4Å; C53-L56 PolarHBondContact O-N 2.9Å; Q54-L56 VanDerWaalsContact C-N 3.27Å; Q54-L56 PolarHBondContact O-N 3.03Å; L56-E58 PolarHBondContact O-N 2.93Å; L56-V59 VanDerWaalsContact O-CG1 3.31Å; L56-V59 WeakPolarHBondContact O-CG1 3.32Å; L56-V59 PolarHBondContact O-N 3.4Å; L56-D60 WeakPolarHBondContact O-CB 3.49Å; L56-D60 PolarHBondContact O-N 2.92Å; L56-L106 HydrophobicContact CD1-CD1 3.61Å; L56-L106 HydrophobicContact CD1-CD2 4.48Å; L56-Y110 HydrophobicContact CD1-CE2 4.09Å
57A98.2Very high98Very high21 Ų2132 Ų3217%0.17417%0.173CC..Hα-helixtrans-56.9-37.5176.700000112.3C53 Q54 D61 M430 A485C53-A57 WeakPolarHBondContact O-CB 3.45Å; C53-A57 PolarHBondContact O-N 3.2Å; Q54-A57 PolarHBondContact O-N 3.49Å; A57-D61 VanDerWaalsContact O-CB 3.31Å; A57-D61 WeakPolarHBondContact O-CB 3.48Å; A57-D61 PolarHBondContact O-N 3.31Å; A57-M430 HydrophobicContact CB-SD 3.95Å; A57-A485 HydrophobicContact CB-CB 4.47Å
58E98.3Very high98Very high59 Ų5931.6 Ų31.628%0.27617%0.174SC..Hα-helixtrans-70.9-37.4178.8-76180-167.600114.4Q54 L56 V62 M430 K432 A433Q54-E58 PolarHBondContact NE2-OE1 3.02Å; Q54-E58 PolarHBondContact O-N 2.92Å; Q54-E58 VanDerWaalsContact O-N 3.11Å; L56-E58 PolarHBondContact O-N 2.93Å; E58-V62 WeakPolarHBondContact O-CG2 3.42Å; E58-V62 PolarHBondContact O-N 3.26Å; E58-M430 HydrophobicContact CG-CE 3.96Å; E58-M430 HydrophobicContact CG-SD 4.41Å; E58-K432 WeakPolarHBondContact OE1-CA 3.42Å; E58-A433 VanDerWaalsContact OE1-CB 3.27Å; E58-A433 WeakPolarHBondContact OE1-CB 3.42Å; E58-A433 PolarHBondContact OE1-N 3.29Å
59V97.9Very high98Very high19 Ų1930.6 Ų30.612%0.11517%0.168CC..Hα-helixtrans-76.3-34.4177.174.80000111.2D32 C33 N36 P55 L56 D61 V62 L63D32-V59 HydrophobicContact CB-CG2 4.03Å; C33-V59 HydrophobicContact CB-CG1 4.31Å; C33-V59 HydrophobicContact CB-CG2 4.38Å; N36-V59 HydrophobicContact CB-CB 4.36Å; N36-V59 HydrophobicContact CB-CG1 3.95Å; N36-V59 HydrophobicContact CB-CG2 4.39Å; N36-V59 WeakPolarHBondContact ND2-CG1 3.46Å; P55-V59 PolarHBondContact O-N 2.87Å; L56-V59 VanDerWaalsContact O-CG1 3.31Å; L56-V59 WeakPolarHBondContact O-CG1 3.32Å; L56-V59 PolarHBondContact O-N 3.4Å; V59-D61 VanDerWaalsContact C-N 3.33Å; V59-V62 WeakPolarHBondContact O-CB 3.41Å; V59-V62 PolarHBondContact O-N 2.92Å; V59-L63 PolarHBondContact O-N 3.29Å; V59-L63 VanDerWaalsContact O-N 3.12Å
60D97.8Very high98Very high67 Ų6729.8 Ų29.836%0.35816%0.164SC..Hα-helixtrans-67.3-35.8174.4-66.1-15.9000111.1L56 V62 L63 G64 Y96L56-D60 WeakPolarHBondContact O-CB 3.49Å; L56-D60 PolarHBondContact O-N 2.92Å; D60-V62 VanDerWaalsContact C-N 3.33Å; D60-V62 PolarHBondContact O-N 3.33Å; D60-L63 WeakPolarHBondContact O-CB 3.37Å; D60-L63 PolarHBondContact O-N 2.82Å; D60-G64 PolarHBondContact O-N 3.38Å; D60-Y96 PolarHBondContact OD1-OH 3.39Å
61D97.6Very high98Very high24 Ų2424.6 Ų24.613%0.12814%0.143CC..Hα-helixtrans-59.6-41.6170.1176.264.8000111.7A57 V59 L63 G64 R65 M430 K432 Q438A57-D61 VanDerWaalsContact O-CB 3.31Å; A57-D61 WeakPolarHBondContact O-CB 3.48Å; A57-D61 PolarHBondContact O-N 3.31Å; V59-D61 VanDerWaalsContact C-N 3.33Å; D61-L63 PolarHBondContact O-N 2.83Å; D61-G64 PolarHBondContact O-N 2.98Å; D61-R65 WeakPolarHBondContact O-CB 3.42Å; D61-R65 WeakPolarHBondContact O-CG 3.44Å; D61-R65 PolarHBondContact O-N 2.85Å; D61-R65 WeakPolarHBondContact OD2-CD 3.45Å; D61-M430 HydrophobicContact CB-CE 3.63Å; D61-M430 HydrophobicContact CB-SD 4.45Å; D61-K432 IonicContact OD2-NZ 3.39Å; D61-Q438 PolarHBondContact OD1-NE2 3.27Å; D61-Q438 PolarHBondContact OD2-NE2 2.91Å; D61-Q438 PolarHBondContact OD2-OE1 3.07Å
62V97.4Very high98.1Very high67 Ų6723.1 Ų23.141%0.40614%0.135SC..Hα-helixtrans-62-43.9175.6173.40000111.3E58 V59 D60 R65 I66E58-V62 WeakPolarHBondContact O-CG2 3.42Å; E58-V62 PolarHBondContact O-N 3.26Å; V59-V62 WeakPolarHBondContact O-CB 3.41Å; V59-V62 PolarHBondContact O-N 2.92Å; D60-V62 VanDerWaalsContact C-N 3.33Å; D60-V62 PolarHBondContact O-N 3.33Å; V62-R65 PolarHBondContact O-N 3.05Å; V62-I66 HydrophobicContact CG1-CD1 4.05Å; V62-I66 WeakPolarHBondContact O-CD1 3.49Å; V62-I66 WeakPolarHBondContact O-CG1 3.37Å; V62-I66 PolarHBondContact O-N 2.95Å
63L98.2Very high98.1Very high20 Ų2023.5 Ų23.511%0.10514%0.137CC..Hα-helixtrans-60.2-46.3174.117563.2000111.4A29 L30 V59 D60 D61 I66 F67 L93 Y96A29-L63 HydrophobicContact CB-CB 4.3Å; A29-L63 HydrophobicContact CB-CD1 3.79Å; L30-L63 HydrophobicContact CD2-CD1 3.89Å; L30-L63 HydrophobicContact CD2-CD2 3.66Å; L30-L63 HydrophobicContact CD2-CG 4.45Å; L30-L63 HydrophobicContact CG-CD1 4.19Å; V59-L63 PolarHBondContact O-N 3.29Å; V59-L63 VanDerWaalsContact O-N 3.12Å; D60-L63 WeakPolarHBondContact O-CB 3.37Å; D60-L63 PolarHBondContact O-N 2.82Å; D61-L63 PolarHBondContact O-N 2.83Å; L63-I66 PolarHBondContact O-N 3.32Å; L63-F67 WeakPolarHBondContact O-CB 3.21Å; L63-F67 PolarHBondContact O-N 3.32Å; L63-L93 HydrophobicContact CD1-CD2 4.31Å; L63-Y96 HydrophobicContact CD2-CD1 4.33Å; L63-Y96 HydrophobicContact CD2-CE1 4.08Å
64G97.6Very high98.1Very high34 Ų3423.9 Ų23.935%0.35114%0.138SC..Hα-helixtrans-59.7-47.8177.500000112.5D60 D61 I66 F67 S68D60-G64 PolarHBondContact O-N 3.38Å; D61-G64 PolarHBondContact O-N 2.98Å; G64-I66 PolarHBondContact O-N 2.8Å; G64-I66 VanDerWaalsContact O-N 3.16Å; G64-F67 PolarHBondContact O-N 3.05Å; G64-S68 WeakPolarHBondContact O-CB 3.27Å; G64-S68 PolarHBondContact O-N 3.23Å
65R97.5Very high98Very high35 Ų3523.6 Ų23.613%0.13214%0.139CC..Hα-helixtrans-60.1-26176.9-70.8176.472.59124.1113.2F9 E10 D61 V62 P69F9-R65 WeakPolarHBondContact CZ-O 3.48Å; F9-R65 PolarHBondContact O-NH2 3.39Å; E10-R65 VanDerWaalsContact C-NH2 3.32Å; E10-R65 PolarHBondContact O-NH2 3.15Å; D61-R65 WeakPolarHBondContact O-CB 3.42Å; D61-R65 WeakPolarHBondContact O-CG 3.44Å; D61-R65 PolarHBondContact O-N 2.85Å; D61-R65 WeakPolarHBondContact OD2-CD 3.45Å; V62-R65 PolarHBondContact O-N 3.05Å; R65-P69 VanDerWaalsContact O-CD 3.27Å; R65-P69 WeakPolarHBondContact O-CD 3.38Å; R65-P69 WeakPolarHBondContact O-CG 3.38Å
66I98.2Very high98Very high5 Ų522.7 Ų22.73%0.02613%0.133CC..Hα-helixtrans-83.7-48.9175-72.1166.1000111.2L5 L6 A25 V26 A29 V62 L63 G64 V70L5-I66 HydrophobicContact CB-CG1 4.46Å; L5-I66 HydrophobicContact CB-CG2 4.28Å; L5-I66 HydrophobicContact CD1-CG2 4.44Å; L5-I66 WeakPolarHBondContact O-CG1 3.2Å; L6-I66 HydrophobicContact CD2-CD1 4.04Å; A25-I66 HydrophobicContact CB-CG2 3.87Å; V26-I66 HydrophobicContact CG2-CG2 4.19Å; A29-I66 HydrophobicContact CB-CD1 3.78Å; V62-I66 HydrophobicContact CG1-CD1 4.05Å; V62-I66 WeakPolarHBondContact O-CD1 3.49Å; V62-I66 WeakPolarHBondContact O-CG1 3.37Å; V62-I66 PolarHBondContact O-N 2.95Å; L63-I66 PolarHBondContact O-N 3.32Å; G64-I66 PolarHBondContact O-N 2.8Å; G64-I66 VanDerWaalsContact O-N 3.16Å; I66-V70 WeakPolarHBondContact O-CG2 3.38Å
67F98.1Very high97.9Very high40 Ų4028 Ų2818%0.17516%0.156CC..Hα-helixtrans-82.7-33.3-169.4-172.6-113.9000113.4V26 L63 G64 V70 S71 Y86 T89 L93V26-F67 HydrophobicContact CG2-CD2 4.11Å; L63-F67 WeakPolarHBondContact O-CB 3.21Å; L63-F67 PolarHBondContact O-N 3.32Å; G64-F67 PolarHBondContact O-N 3.05Å; F67-V70 HydrophobicContact CD2-CB 4.41Å; F67-V70 WeakPolarHBondContact O-CB 3.31Å; F67-V70 PolarHBondContact O-N 2.92Å; F67-V70 VanDerWaalsContact O-N 3.08Å; F67-S71 WeakPolarHBondContact O-CB 3.39Å; F67-S71 PolarHBondContact O-N 3.22Å; F67-Y86 HydrophobicContact CE2-CD2 4.11Å; F67-Y86 AromaticContact CE2-CE2 3.76Å; F67-Y86 HydrophobicContact CE2-CE2 3.76Å; F67-Y86 HydrophobicContact CZ-CD2 4.27Å; F67-Y86 AromaticContact CZ-CE2 3.47Å; F67-Y86 HydrophobicContact CZ-CE2 3.47Å; F67-Y86 VanDerWaalsContact CZ-CE2 3.47Å; F67-T89 WeakPolarHBondContact CE2-OG1 3.31Å; F67-L93 HydrophobicContact CD1-CD1 4.11Å; F67-L93 HydrophobicContact CD2-CD1 3.83Å; F67-L93 HydrophobicContact CE1-CD1 3.66Å; F67-L93 HydrophobicContact CE2-CD1 3.37Å; F67-L93 HydrophobicContact CG-CD1 4.19Å; F67-L93 HydrophobicContact CZ-CD1 3.26Å
68S98.3Very high97.7Very high15 Ų1527.3 Ų27.311%0.10515%0.149CC..Hα-helixtrans-55.2-49.8177.9163.90000112.2G64 V70 S71 H72 D425 C426 Y443G64-S68 WeakPolarHBondContact O-CB 3.27Å; G64-S68 PolarHBondContact O-N 3.23Å; S68-V70 VanDerWaalsContact C-N 3.31Å; S68-V70 PolarHBondContact O-N 2.92Å; S68-S71 PolarHBondContact O-N 2.95Å; S68-H72 VanDerWaalsContact O-CB 3.24Å; S68-H72 WeakPolarHBondContact O-CB 3.29Å; S68-H72 PolarHBondContact O-N 3.2Å; S68-D425 PolarHBondContact OG-O 2.92Å; S68-C426 WeakPolarHBondContact OG-CA 3.35Å; S68-Y443 VanDerWaalsContact OG-CE2 3.32Å; S68-Y443 WeakPolarHBondContact OG-CE2 3.36Å; S68-Y443 PolarHBondContact OG-OH 3Å
69P98.5Very high97.6Very high1 Ų126 Ų261%0.00615%0.147CC..Hα-helixtrans-61.1-34.9174.8-2636.2000114.3P12 F14 I17 R65 L73P12-P69 HydrophobicContact CB-CB 3.83Å; P12-P69 HydrophobicContact CB-CG 3.54Å; P12-P69 HydrophobicContact CG-CB 4.17Å; P12-P69 HydrophobicContact CG-CG 3.45Å; P12-P69 VanDerWaalsContact CG-CG 3.45Å; F14-P69 HydrophobicContact CE1-CB 3.86Å; F14-P69 HydrophobicContact CZ-CB 4.28Å; I17-P69 HydrophobicContact CD1-CB 3.86Å; R65-P69 VanDerWaalsContact O-CD 3.27Å; R65-P69 WeakPolarHBondContact O-CD 3.38Å; R65-P69 WeakPolarHBondContact O-CG 3.38Å; P69-L73 WeakPolarHBondContact O-CB 3.47Å; P69-L73 VanDerWaalsContact O-CG 3.23Å; P69-L73 WeakPolarHBondContact O-CG 3.48Å; P69-L73 PolarHBondContact O-N 3.31Å
70V98.3Very high97.5Very high0 Ų029.7 Ų29.70%017%0.171CC..Hα-helixtrans-68.7-49.2178.21740000110.6L5 V22 I66 F67 S68 H72 L73 N74 Y86L5-V70 HydrophobicContact CD1-CG2 3.89Å; V22-V70 HydrophobicContact CB-CG1 4.4Å; V22-V70 HydrophobicContact CG1-CG1 3.55Å; V22-V70 HydrophobicContact CG1-CG2 4.33Å; V22-V70 HydrophobicContact CG2-CG1 3.94Å; V22-V70 HydrophobicContact CG2-CG2 4.04Å; I66-V70 WeakPolarHBondContact O-CG2 3.38Å; F67-V70 HydrophobicContact CD2-CB 4.41Å; F67-V70 WeakPolarHBondContact O-CB 3.31Å; F67-V70 PolarHBondContact O-N 2.92Å; F67-V70 VanDerWaalsContact O-N 3.08Å; S68-V70 VanDerWaalsContact C-N 3.31Å; S68-V70 PolarHBondContact O-N 2.92Å; V70-H72 VanDerWaalsContact C-N 3.29Å; V70-H72 PolarHBondContact O-N 2.57Å; V70-L73 PolarHBondContact O-N 2.73Å; V70-N74 PolarHBondContact O-N 3.25Å; V70-Y86 HydrophobicContact CG1-CD2 4.1Å
71S97.9Very high97.6Very high23 Ų2331.8 Ų31.816%0.16118%0.178CC..Hα-helixtrans-59.4-42.5175.8-178.30000111.4F67 S68 N74 S75F67-S71 WeakPolarHBondContact O-CB 3.39Å; F67-S71 PolarHBondContact O-N 3.22Å; S68-S71 PolarHBondContact O-N 2.95Å; S71-N74 PolarHBondContact O-N 3.47Å; S71-S75 PolarHBondContact O-N 3.38Å; S71-S75 VanDerWaalsContact O-N 3.14Å; S71-S75 PolarHBondContact O-OG 2.95Å; S71-S75 VanDerWaalsContact O-OG 3.09Å
72H98.4Very high97.5Very high1 Ų131.2 Ų31.21%0.00518%0.176CC..Hα-helixtrans-61.1-51.4176.5-17271.1000111.5S68 V70 N74 S75 V76 W387 Y443S68-H72 VanDerWaalsContact O-CB 3.24Å; S68-H72 WeakPolarHBondContact O-CB 3.29Å; S68-H72 PolarHBondContact O-N 3.2Å; V70-H72 VanDerWaalsContact C-N 3.29Å; V70-H72 PolarHBondContact O-N 2.57Å; H72-N74 VanDerWaalsContact C-N 3.29Å; H72-N74 PolarHBondContact O-N 3.5Å; H72-S75 WeakPolarHBondContact O-CA 3.17Å; H72-S75 WeakPolarHBondContact O-CB 3.37Å; H72-S75 PolarHBondContact O-N 3.2Å; H72-V76 WeakPolarHBondContact O-CG2 2.91Å; H72-V76 PolarHBondContact O-N 3.48Å; H72-W387 AromaticContact CD2-CE2 3.95Å; H72-W387 AromaticContact CD2-CE3 3.9Å; H72-W387 AromaticContact CD2-CH2 3.68Å; H72-W387 AromaticContact CD2-CZ2 3.82Å; H72-W387 AromaticContact CD2-CZ3 3.74Å; H72-W387 AromaticContact CE1-CH2 3.93Å; H72-W387 AromaticContact CE1-CZ2 3.84Å; H72-W387 AromaticContact NE2-CD2 3.86Å; H72-W387 AromaticContact NE2-CE2 3.31Å; H72-W387 VanDerWaalsContact NE2-CE2 3.31Å; H72-W387 AromaticContact NE2-CE3 3.98Å; H72-W387 AromaticContact NE2-CH2 3.04Å; H72-W387 WeakPolarHBondContact NE2-CH2 3.5Å; H72-W387 AromaticContact NE2-CZ2 2.89Å; H72-W387 WeakPolarHBondContact NE2-CZ2 3.36Å; H72-W387 AromaticContact NE2-CZ3 3.61Å; H72-Y443 HydrophobicContact CB-CD2 4.15Å; H72-Y443 HydrophobicContact CB-CE2 3.71Å; H72-Y443 AromaticContact CE1-CD1 3.96Å; H72-Y443 AromaticContact CE1-CG 3.64Å; H72-Y443 AromaticContact CG-CD2 3.79Å; H72-Y443 AromaticContact CG-CE2 3.75Å; H72-Y443 AromaticContact CG-CG 3.96Å; H72-Y443 AromaticContact CG-CZ 3.93Å; H72-Y443 AromaticContact ND1-CD1 4Å; H72-Y443 AromaticContact ND1-CD2 3.43Å; H72-Y443 WeakPolarHBondContact ND1-CD2 3.34Å; H72-Y443 AromaticContact ND1-CE2 3.89Å; H72-Y443 AromaticContact ND1-CG 3.47Å
73L98.4Very high97.5Very high9 Ų929.9 Ų29.95%0.04716%0.163CC..Hα-helixtrans-57.2-41176-75.7173.4000112.2F14 I17 P69 V70 S75 V76 K77 L82 W387F14-L73 HydrophobicContact CD1-CD1 4.12Å; F14-L73 HydrophobicContact CD1-CD2 3.9Å; F14-L73 HydrophobicContact CD1-CG 3.92Å; F14-L73 HydrophobicContact CE1-CD2 4.42Å; F14-L73 HydrophobicContact CE1-CG 4.17Å; I17-L73 HydrophobicContact CB-CD1 3.99Å; I17-L73 HydrophobicContact CD1-CD1 4.1Å; I17-L73 HydrophobicContact CG2-CD1 3.84Å; P69-L73 WeakPolarHBondContact O-CB 3.47Å; P69-L73 VanDerWaalsContact O-CG 3.23Å; P69-L73 WeakPolarHBondContact O-CG 3.48Å; P69-L73 PolarHBondContact O-N 3.31Å; V70-L73 PolarHBondContact O-N 2.73Å; L73-S75 PolarHBondContact O-N 3.18Å; L73-V76 PolarHBondContact O-N 3.28Å; L73-K77 HydrophobicContact CD2-CB 4.37Å; L73-K77 HydrophobicContact CD2-CD 4.32Å; L73-K77 CarbonylContact O-C 3.51Å; L73-K77 VanDerWaalsContact O-C 3.23Å; L73-K77 WeakPolarHBondContact O-CA 3.45Å; L73-K77 PolarHBondContact O-N 3.47Å; L73-L82 HydrophobicContact CB-CD2 3.77Å; L73-W387 HydrophobicContact CD2-CB 3.53Å; L73-W387 HydrophobicContact CD2-CG 4.24Å
74N97.5Very high97.5Very high12 Ų1234.5 Ų34.56%0.06418%0.184CC..Hα-helixtrans-60.5-29.9176.1-176.860000112.2V70 S71 H72 N78 Y86V70-N74 PolarHBondContact O-N 3.25Å; S71-N74 PolarHBondContact O-N 3.47Å; H72-N74 VanDerWaalsContact C-N 3.29Å; H72-N74 PolarHBondContact O-N 3.5Å; N74-N78 WeakPolarHBondContact O-CB 3.32Å; N74-N78 PolarHBondContact O-ND2 2.81Å; N74-N78 PolarHBondContact OD1-ND2 3.12Å; N74-Y86 HydrophobicContact CB-CD1 4.38Å; N74-Y86 HydrophobicContact CB-CD2 3.95Å; N74-Y86 HydrophobicContact CB-CE2 4.35Å; N74-Y86 HydrophobicContact CB-CG 3.96Å; N74-Y86 VanDerWaalsContact ND2-CD1 3.3Å; N74-Y86 WeakPolarHBondContact ND2-CD1 3.37Å; N74-Y86 WeakPolarHBondContact ND2-CE1 3.43Å
75S97.4Very high97.6Very high17 Ų1733.2 Ų33.212%0.11917%0.17CC..Hα-helixtrans-84.2-31.4179.4-59.10000114.1S71 H72 L73 R418S71-S75 PolarHBondContact O-N 3.38Å; S71-S75 VanDerWaalsContact O-N 3.14Å; S71-S75 PolarHBondContact O-OG 2.95Å; S71-S75 VanDerWaalsContact O-OG 3.09Å; H72-S75 WeakPolarHBondContact O-CA 3.17Å; H72-S75 WeakPolarHBondContact O-CB 3.37Å; H72-S75 PolarHBondContact O-N 3.2Å; L73-S75 PolarHBondContact O-N 3.18Å; S75-R418 WeakPolarHBondContact O-CB 3.45Å; S75-R418 PolarHBondContact O-N 3.35Å
76V97.7Very high97.6Very high1 Ų133 Ų331%0.00617%0.169CC..Hα-helixtrans-116.6-8.1-169.8-54.20000115.2H72 L73 W387 R414 K417 W422 T445H72-V76 WeakPolarHBondContact O-CG2 2.91Å; H72-V76 PolarHBondContact O-N 3.48Å; L73-V76 PolarHBondContact O-N 3.28Å; V76-W387 HydrophobicContact CG2-CD2 4.19Å; V76-W387 HydrophobicContact CG2-CG 3.96Å; V76-W387 VanDerWaalsContact CG2-NE1 3.28Å; V76-R414 PolarHBondContact O-NH2 2.94Å; V76-K417 HydrophobicContact CB-CG 4.47Å; V76-W422 HydrophobicContact CG1-CH2 4.3Å; V76-W422 HydrophobicContact CG1-CZ2 3.81Å; V76-T445 HydrophobicContact CG1-CG2 4.19Å
77K96.6Very high97.6Very high119 Ų11936.4 Ų36.452%0.51719%0.185SC..SBendtrans-151.646.1-177.2-161.7-179.4-179.1172.40110.2L73 S79 L82 W387 N416L73-K77 HydrophobicContact CD2-CB 4.37Å; L73-K77 HydrophobicContact CD2-CD 4.32Å; L73-K77 CarbonylContact O-C 3.51Å; L73-K77 VanDerWaalsContact O-C 3.23Å; L73-K77 WeakPolarHBondContact O-CA 3.45Å; L73-K77 PolarHBondContact O-N 3.47Å; K77-S79 PolarHBondContact O-N 3.26Å; K77-L82 WeakPolarHBondContact O-CD2 3.35Å; K77-W387 HydrophobicContact CD-CB 4.5Å; K77-W387 PolarHBondContact NZ-O 3.07Å; K77-N416 PolarHBondContact N-O 3.26Å
78N95Very high97.6Very high5 Ų539.3 Ų39.33%0.02720%0.2CC..  trans-58.5134-178.1-162.6-93.6000110.8N74 R83 L171 N416N74-N78 WeakPolarHBondContact O-CB 3.32Å; N74-N78 PolarHBondContact O-ND2 2.81Å; N74-N78 PolarHBondContact OD1-ND2 3.12Å; N78-R83 VanDerWaalsContact OD1-CZ 3.28Å; N78-R83 PolarHBondContact OD1-NE 3.03Å; N78-R83 PolarHBondContact OD1-NH2 2.79Å; N78-L171 HydrophobicContact CB-CD2 3.89Å; N78-N416 HydrophobicContact CB-CB 4.3Å; N78-N416 WeakPolarHBondContact CB-O 3.48Å; N78-N416 PolarHBondContact N-O 2.94Å; N78-N416 WeakPolarHBondContact O-CB 3.33Å
79S95.6Very high97.6Very high33 Ų3338.6 Ų38.623%0.23120%0.195CC..  trans-140.8160.4170.588.10000108.9K77 E81 L82 R83K77-S79 PolarHBondContact O-N 3.26Å; S79-E81 WeakPolarHBondContact CB-OE2 3.5Å; S79-E81 PolarHBondContact O-N 2.95Å; S79-E81 PolarHBondContact OG-N 3.07Å; S79-E81 PolarHBondContact OG-OE2 2.74Å; S79-L82 PolarHBondContact O-N 2.64Å; S79-L82 PolarHBondContact OG-N 3.17Å; S79-L82 VanDerWaalsContact OG-N 3.14Å; S79-R83 WeakPolarHBondContact O-CB 3.49Å; S79-R83 PolarHBondContact O-N 3.47Å
80P96.5Very high97.6Very high96 Ų9639 Ų3962%0.62320%0.197SC*.Hα-helixtrans-51.5-44.5175.8-2836.6000112.8E84P80-E84 WeakPolarHBondContact O-CB 3.03Å; P80-E84 PolarHBondContact O-N 2.91Å
81E98Very high97.5Very high110 Ų11041.1 Ų41.151%0.51421%0.21SC..Hα-helixtrans-70.6-44-178.1-52.176.2-167.900112P19 S79 A85P19-E81 HydrophobicContact CB-CB 4.18Å; P19-E81 HydrophobicContact CG-CB 3.87Å; S79-E81 WeakPolarHBondContact CB-OE2 3.5Å; S79-E81 PolarHBondContact O-N 2.95Å; S79-E81 PolarHBondContact OG-N 3.07Å; S79-E81 PolarHBondContact OG-OE2 2.74Å; E81-A85 WeakPolarHBondContact O-CB 3.37Å; E81-A85 PolarHBondContact O-N 3.43Å
82L97.4Very high97.5Very high13 Ų1342.4 Ų42.47%0.06822%0.215CC..Hα-helixtrans-67-40.3177.5179.963.5000111.4P19 V22 L73 K77 S79 A85 Y86P19-L82 HydrophobicContact CG-CB 4.47Å; V22-L82 HydrophobicContact CG2-CD1 4.45Å; L73-L82 HydrophobicContact CB-CD2 3.77Å; K77-L82 WeakPolarHBondContact O-CD2 3.35Å; S79-L82 PolarHBondContact O-N 2.64Å; S79-L82 PolarHBondContact OG-N 3.17Å; S79-L82 VanDerWaalsContact OG-N 3.14Å; L82-A85 PolarHBondContact O-N 3.46Å; L82-Y86 VanDerWaalsContact O-CB 3.31Å; L82-Y86 WeakPolarHBondContact O-CB 3.47Å; L82-Y86 PolarHBondContact O-N 3.48Å
83R97.4Very high97.5Very high38 Ų3843.8 Ų43.814%0.14322%0.222CC..Hα-helixtrans-61.5-47.9177-177-172.6-65.3-166.4-0.7110.5N78 S79 A85 Y86 E87 N168 D172N78-R83 VanDerWaalsContact OD1-CZ 3.28Å; N78-R83 PolarHBondContact OD1-NE 3.03Å; N78-R83 PolarHBondContact OD1-NH2 2.79Å; S79-R83 WeakPolarHBondContact O-CB 3.49Å; S79-R83 PolarHBondContact O-N 3.47Å; R83-A85 VanDerWaalsContact C-N 3.33Å; R83-A85 PolarHBondContact O-N 2.9Å; R83-Y86 PolarHBondContact O-N 3.2Å; R83-E87 WeakPolarHBondContact O-CB 3.32Å; R83-E87 VanDerWaalsContact O-CG 3.32Å; R83-E87 WeakPolarHBondContact O-CG 3.32Å; R83-E87 PolarHBondContact O-N 3.46Å; R83-N168 WeakPolarHBondContact CD-ND2 3.41Å; R83-D172 IonicContact CZ-OD1 2.88Å; R83-D172 IonicContact CZ-OD2 3.7Å; R83-D172 IonicContact NH1-OD1 3.78Å; R83-D172 PolarHBondContact NH1-OD1 3.17Å; R83-D172 IonicContact NH1-OD2 2.67Å; R83-D172 PolarHBondContact NH1-OD2 3.02Å; R83-D172 IonicContact NH2-OD1 2.71Å; R83-D172 PolarHBondContact NH2-OD1 3.46Å; R83-D172 IonicContact NH2-OD2 3.69Å
84E98.1Very high97.5Very high118 Ų11843.9 Ų43.955%0.55122%0.224SC*.Hα-helixtrans-59.8-43.5176.6-177.6-178.6-175.200111.7P80 Q88P80-E84 WeakPolarHBondContact O-CB 3.03Å; P80-E84 PolarHBondContact O-N 2.91Å; E84-Q88 WeakPolarHBondContact O-CG 3.29Å; E84-Q88 PolarHBondContact O-N 3.4Å; E84-Q88 PolarHBondContact O-NE2 3.2Å
85A98.3Very high97.5Very high6 Ų648.2 Ų48.25%0.0524%0.244CC..Hα-helixtrans-66.3-41.1177.300000112.2P19 V22 E81 L82 R83P19-A85 HydrophobicContact CB-CB 4.02Å; P19-A85 WeakPolarHBondContact O-CB 3.37Å; V22-A85 HydrophobicContact CB-CB 4.08Å; V22-A85 HydrophobicContact CG1-CB 4.39Å; V22-A85 HydrophobicContact CG2-CB 4.34Å; E81-A85 WeakPolarHBondContact O-CB 3.37Å; E81-A85 PolarHBondContact O-N 3.43Å; L82-A85 PolarHBondContact O-N 3.46Å; R83-A85 VanDerWaalsContact C-N 3.33Å; R83-A85 PolarHBondContact O-N 2.9Å
86Y98.2Very high97.5Very high30 Ų3048.2 Ų48.212%0.11824%0.241CC..Hα-helixtrans-63-46.9175.5179.4-100.5000111.5F67 V70 N74 L82 R83 Q88 T89 L90 N164F67-Y86 HydrophobicContact CE2-CD2 4.11Å; F67-Y86 AromaticContact CE2-CE2 3.76Å; F67-Y86 HydrophobicContact CE2-CE2 3.76Å; F67-Y86 HydrophobicContact CZ-CD2 4.27Å; F67-Y86 AromaticContact CZ-CE2 3.47Å; F67-Y86 HydrophobicContact CZ-CE2 3.47Å; F67-Y86 VanDerWaalsContact CZ-CE2 3.47Å; V70-Y86 HydrophobicContact CG1-CD2 4.1Å; N74-Y86 HydrophobicContact CB-CD1 4.38Å; N74-Y86 HydrophobicContact CB-CD2 3.95Å; N74-Y86 HydrophobicContact CB-CE2 4.35Å; N74-Y86 HydrophobicContact CB-CG 3.96Å; N74-Y86 VanDerWaalsContact ND2-CD1 3.3Å; N74-Y86 WeakPolarHBondContact ND2-CD1 3.37Å; N74-Y86 WeakPolarHBondContact ND2-CE1 3.43Å; L82-Y86 VanDerWaalsContact O-CB 3.31Å; L82-Y86 WeakPolarHBondContact O-CB 3.47Å; L82-Y86 PolarHBondContact O-N 3.48Å; R83-Y86 PolarHBondContact O-N 3.2Å; Y86-Q88 VanDerWaalsContact C-N 3.29Å; Y86-Q88 PolarHBondContact O-N 2.98Å; Y86-T89 WeakPolarHBondContact O-CB 3.49Å; Y86-T89 PolarHBondContact O-N 2.99Å; Y86-T89 PolarHBondContact O-OG1 3.5Å; Y86-L90 HydrophobicContact CD1-CD1 4.49Å; Y86-L90 HydrophobicContact CD1-CD2 4.42Å; Y86-L90 HydrophobicContact CE1-CD1 4.19Å; Y86-L90 HydrophobicContact CE1-CD2 3.76Å; Y86-L90 HydrophobicContact CE1-CG 4.26Å; Y86-N164 WeakPolarHBondContact CE1-OD1 3.28Å
87E98.1Very high97.5Very high78 Ų7851.5 Ų51.536%0.36427%0.265SS..Hα-helixtrans-57.7-39.1179-80.6172.4179.600112.6R83 T89 L90 P91 N164 N168R83-E87 WeakPolarHBondContact O-CB 3.32Å; R83-E87 VanDerWaalsContact O-CG 3.32Å; R83-E87 WeakPolarHBondContact O-CG 3.32Å; R83-E87 PolarHBondContact O-N 3.46Å; E87-T89 PolarHBondContact O-N 3.05Å; E87-L90 PolarHBondContact O-N 3.04Å; E87-P91 VanDerWaalsContact O-CD 3.27Å; E87-P91 WeakPolarHBondContact O-CD 3.4Å; E87-N164 WeakPolarHBondContact CG-ND2 2.99Å; E87-N164 PolarHBondContact OE1-ND2 3.21Å; E87-N164 VanDerWaalsContact OE1-ND2 3.13Å; E87-N168 PolarHBondContact OE1-ND2 2.75Å
88Q98.2Very high97.6Very high101 Ų10146.5 Ų46.547%0.47224%0.244SC..Hα-helixtrans-64.2-21.6175.7-74.1175.763.100113.8V23 E84 Y86V23-Q88 HydrophobicContact CG2-CB 3.67Å; E84-Q88 WeakPolarHBondContact O-CG 3.29Å; E84-Q88 PolarHBondContact O-N 3.4Å; E84-Q88 PolarHBondContact O-NE2 3.2Å; Y86-Q88 VanDerWaalsContact C-N 3.29Å; Y86-Q88 PolarHBondContact O-N 2.98Å
89T98.4Very high97.7Very high0 Ų049.6 Ų49.60%026%0.255CS..Hα-helixtrans-83.9-24.2177.9680000113.5V22 V23 V26 F67 Y86 E87 L92 L93V22-T89 HydrophobicContact CG1-CG2 3.61Å; V23-T89 HydrophobicContact CG2-CG2 4.24Å; V26-T89 HydrophobicContact CB-CG2 4.05Å; V26-T89 HydrophobicContact CG1-CG2 4.2Å; V26-T89 HydrophobicContact CG2-CG2 3.95Å; F67-T89 WeakPolarHBondContact CE2-OG1 3.31Å; Y86-T89 WeakPolarHBondContact O-CB 3.49Å; Y86-T89 PolarHBondContact O-N 2.99Å; Y86-T89 PolarHBondContact O-OG1 3.5Å; E87-T89 PolarHBondContact O-N 3.05Å; T89-L92 WeakPolarHBondContact O-CB 3.39Å; T89-L92 PolarHBondContact O-N 3.27Å; T89-L92 VanDerWaalsContact O-N 3.14Å; T89-L93 WeakPolarHBondContact O-CG 3.36Å; T89-L93 PolarHBondContact O-N 3.01Å
90L97.7Very high97.9Very high9 Ų949.5 Ų49.55%0.04725%0.253CS..Hα-helixtrans-60.9-45.3-173.9-58.7176.8000113Y86 E87 L92 L93 S94 N164Y86-L90 HydrophobicContact CD1-CD1 4.49Å; Y86-L90 HydrophobicContact CD1-CD2 4.42Å; Y86-L90 HydrophobicContact CE1-CD1 4.19Å; Y86-L90 HydrophobicContact CE1-CD2 3.76Å; Y86-L90 HydrophobicContact CE1-CG 4.26Å; E87-L90 PolarHBondContact O-N 3.04Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L90-L92 PolarHBondContact O-N 3.23Å; L90-L93 PolarHBondContact O-N 3.34Å; L90-S94 WeakPolarHBondContact O-CB 3.32Å; L90-S94 PolarHBondContact O-N 3.35Å; L90-S94 PolarHBondContact O-OG 3.29Å; L90-N164 HydrophobicContact CD1-CB 3.46Å; L90-N164 VanDerWaalsContact CD1-CB 3.46Å
91P97Very high97.9Very high44 Ų4445.3 Ų45.329%0.28623%0.227SC..Hα-helixtrans-65.2-36.9175.6-22.135.3000112.5E87 S94 E95 T157E87-P91 VanDerWaalsContact O-CD 3.27Å; E87-P91 WeakPolarHBondContact O-CD 3.4Å; P91-S94 PolarHBondContact O-N 3.14Å; P91-E95 VanDerWaalsContact O-CB 3.23Å; P91-E95 WeakPolarHBondContact O-CB 3.36Å; P91-E95 PolarHBondContact O-N 3Å; P91-T157 HydrophobicContact CB-CG2 4.09Å
92L98.3Very high97.9Very high50 Ų5041.1 Ų41.126%0.26221%0.208SC..Hα-helixtrans-64.3-44.1179.2-57.8178000111.5V23 L30 T89 L90 Y96V23-L92 HydrophobicContact CG1-CD1 4.39Å; L30-L92 HydrophobicContact CD1-CB 3.7Å; T89-L92 WeakPolarHBondContact O-CB 3.39Å; T89-L92 PolarHBondContact O-N 3.27Å; T89-L92 VanDerWaalsContact O-N 3.14Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L90-L92 PolarHBondContact O-N 3.23Å; L92-Y96 WeakPolarHBondContact O-CB 3.16Å; L92-Y96 PolarHBondContact O-N 3.36Å
93L98.4Very high98Very high30 Ų3041.5 Ų41.516%0.15721%0.209CC..Hα-helixtrans-67.1-43.5177.4-70.1161.9000111.4V26 L30 L63 F67 T89 L90 Y96 S97V26-L93 HydrophobicContact CG1-CD2 4.19Å; V26-L93 HydrophobicContact CG1-CG 4.29Å; L30-L93 HydrophobicContact CD2-CD2 4.1Å; L63-L93 HydrophobicContact CD1-CD2 4.31Å; F67-L93 HydrophobicContact CD1-CD1 4.11Å; F67-L93 HydrophobicContact CD2-CD1 3.83Å; F67-L93 HydrophobicContact CE1-CD1 3.66Å; F67-L93 HydrophobicContact CE2-CD1 3.37Å; F67-L93 HydrophobicContact CG-CD1 4.19Å; F67-L93 HydrophobicContact CZ-CD1 3.26Å; T89-L93 WeakPolarHBondContact O-CG 3.36Å; T89-L93 PolarHBondContact O-N 3.01Å; L90-L93 PolarHBondContact O-N 3.34Å; L93-Y96 PolarHBondContact O-N 2.97Å; L93-S97 VanDerWaalsContact O-CB 3.32Å; L93-S97 WeakPolarHBondContact O-CB 3.2Å; L93-S97 PolarHBondContact O-N 2.75Å
94S97.8Very high97.9Very high12 Ų1243.9 Ų43.98%0.08422%0.222CC..Hα-helixtrans-65.9-41.5179.1-59.30000112.1L90 P91 T98 T157 S160L90-S94 WeakPolarHBondContact O-CB 3.32Å; L90-S94 PolarHBondContact O-N 3.35Å; L90-S94 PolarHBondContact O-OG 3.29Å; P91-S94 PolarHBondContact O-N 3.14Å; S94-T98 WeakPolarHBondContact O-CB 3.38Å; S94-T98 PolarHBondContact O-N 3.29Å; S94-T98 PolarHBondContact O-OG1 3.37Å; S94-T157 WeakPolarHBondContact CB-OG1 3.49Å; S94-S160 WeakPolarHBondContact OG-CB 3.45Å
95E97.4Very high97.9Very high103 Ų10339.4 Ų39.448%0.48121%0.207SC..Hα-helixtrans-63.2-46.9175-171.1-150126.500111R34 P91 T98 W99R34-E95 IonicContact CZ-OE1 2.95Å; R34-E95 IonicContact NH1-OE1 2.97Å; R34-E95 IonicContact NH2-OE1 3.36Å; R34-E95 PolarHBondContact NH2-OE1 2.74Å; P91-E95 VanDerWaalsContact O-CB 3.23Å; P91-E95 WeakPolarHBondContact O-CB 3.36Å; P91-E95 PolarHBondContact O-N 3Å; E95-T98 PolarHBondContact O-N 2.79Å; E95-W99 VanDerWaalsContact O-CB 3.27Å; E95-W99 WeakPolarHBondContact O-CB 3.29Å; E95-W99 PolarHBondContact O-N 3.05Å
96Y98.5Very high98Very high16 Ų1639.3 Ų39.36%0.06321%0.206CC..Hα-helixtrans-62.5-47.3176.9170.5-103000112L30 C33 R34 D60 L63 L92 L93 T98 W99 V100L30-Y96 HydrophobicContact CD2-CD1 3.46Å; L30-Y96 VanDerWaalsContact CD2-CD1 3.46Å; L30-Y96 HydrophobicContact CD2-CD2 4.2Å; L30-Y96 HydrophobicContact CD2-CE1 4.22Å; L30-Y96 HydrophobicContact CD2-CG 3.47Å; L30-Y96 VanDerWaalsContact CD2-CG 3.47Å; C33-Y96 HydrophobicContact CB-CE1 4.4Å; C33-Y96 HydrophobicContact CB-CE2 3.56Å; C33-Y96 VanDerWaalsContact CB-CZ 3.5Å; C33-Y96 VanDerWaalsContact CB-OH 3.32Å; C33-Y96 WeakPolarHBondContact CB-OH 3.45Å; R34-Y96 HydrophobicContact CG-CD2 3.91Å; R34-Y96 HydrophobicContact CG-CE2 4.07Å; D60-Y96 PolarHBondContact OD1-OH 3.39Å; L63-Y96 HydrophobicContact CD2-CD1 4.33Å; L63-Y96 HydrophobicContact CD2-CE1 4.08Å; L92-Y96 WeakPolarHBondContact O-CB 3.16Å; L92-Y96 PolarHBondContact O-N 3.36Å; L93-Y96 PolarHBondContact O-N 2.97Å; Y96-T98 VanDerWaalsContact C-N 3.29Å; Y96-T98 PolarHBondContact O-N 3.17Å; Y96-W99 HydrophobicContact CD2-CE3 4.03Å; Y96-W99 HydrophobicContact CD2-CZ3 4.37Å; Y96-W99 HydrophobicContact CE2-CE3 4Å; Y96-W99 AromaticContact CE2-CZ3 3.95Å; Y96-W99 HydrophobicContact CE2-CZ3 3.95Å; Y96-W99 PolarHBondContact O-N 3.04Å; Y96-W99 VanDerWaalsContact O-N 3.17Å; Y96-V100 HydrophobicContact CE1-CG1 4.32Å; Y96-V100 HydrophobicContact CE2-CB 4.39Å; Y96-V100 WeakPolarHBondContact O-CG1 3.39Å; Y96-V100 PolarHBondContact O-N 2.71Å
97S97.6Very high98Very high71 Ų7140.3 Ų40.350%0.49721%0.21SC..Hα-helixtrans-59.5-40.5178-175.80000111.8L93 V100 G101L93-S97 VanDerWaalsContact O-CB 3.32Å; L93-S97 WeakPolarHBondContact O-CB 3.2Å; L93-S97 PolarHBondContact O-N 2.75Å; S97-V100 WeakPolarHBondContact O-CG1 3.48Å; S97-G101 PolarHBondContact O-N 2.77Å; S97-G101 VanDerWaalsContact O-N 3.07Å
98T98Very high98Very high14 Ų1442.9 Ų42.99%0.08622%0.22CC..Hα-helixtrans-66.2-47.9174.9-59.80000110.7S94 E95 Y96 V100 G101 Q102 Y152S94-T98 WeakPolarHBondContact O-CB 3.38Å; S94-T98 PolarHBondContact O-N 3.29Å; S94-T98 PolarHBondContact O-OG1 3.37Å; E95-T98 PolarHBondContact O-N 2.79Å; Y96-T98 VanDerWaalsContact C-N 3.29Å; Y96-T98 PolarHBondContact O-N 3.17Å; T98-V100 PolarHBondContact O-N 2.88Å; T98-G101 PolarHBondContact O-N 2.62Å; T98-Q102 HydrophobicContact CG2-CG 4.47Å; T98-Q102 VanDerWaalsContact O-CB 3.31Å; T98-Q102 WeakPolarHBondContact O-CB 3.48Å; T98-Q102 WeakPolarHBondContact O-CG 3.35Å; T98-Q102 PolarHBondContact O-N 2.97Å; T98-Y152 HydrophobicContact CG2-CD1 4.14Å
99W97.9Very high98Very high70 Ų7038 Ų3827%0.26520%0.197SC..Hα-helixtrans-59.8-48.3-178.8171.684.1000111.7R34 V37 E95 Y96 Q102 H103R34-W99 HydrophobicContact CB-CH2 3.89Å; R34-W99 HydrophobicContact CB-CZ3 4.09Å; R34-W99 HydrophobicContact CG-CE3 3.97Å; R34-W99 HydrophobicContact CG-CH2 3.87Å; R34-W99 HydrophobicContact CG-CZ2 4.41Å; R34-W99 HydrophobicContact CG-CZ3 3.64Å; R34-W99 VanDerWaalsContact NH1-CD2 3.25Å; V37-W99 HydrophobicContact CB-CH2 3.73Å; V37-W99 HydrophobicContact CB-CZ3 4.02Å; V37-W99 HydrophobicContact CG1-CH2 3.61Å; V37-W99 HydrophobicContact CG1-CZ2 4.46Å; V37-W99 HydrophobicContact CG1-CZ3 4.03Å; V37-W99 HydrophobicContact CG2-CH2 4.32Å; V37-W99 HydrophobicContact CG2-CZ3 4.09Å; E95-W99 VanDerWaalsContact O-CB 3.27Å; E95-W99 WeakPolarHBondContact O-CB 3.29Å; E95-W99 PolarHBondContact O-N 3.05Å; Y96-W99 HydrophobicContact CD2-CE3 4.03Å; Y96-W99 HydrophobicContact CD2-CZ3 4.37Å; Y96-W99 HydrophobicContact CE2-CE3 4Å; Y96-W99 AromaticContact CE2-CZ3 3.95Å; Y96-W99 HydrophobicContact CE2-CZ3 3.95Å; Y96-W99 PolarHBondContact O-N 3.04Å; Y96-W99 VanDerWaalsContact O-N 3.17Å; W99-Q102 CarbonylContact O-C 3.26Å; W99-Q102 PolarHBondContact O-N 3.32Å; W99-H103 AromaticContact CE2-CD2 3.91Å; W99-H103 AromaticContact CH2-CD2 3.8Å; W99-H103 AromaticContact CZ2-CD2 3.48Å; W99-H103 VanDerWaalsContact CZ2-CD2 3.48Å; W99-H103 WeakPolarHBondContact CZ2-CD2 3.36Å; W99-H103 WeakPolarHBondContact O-CB 3.39Å; W99-H103 PolarHBondContact O-N 3.24Å
100V98.2Very high98Very high30 Ų3039.4 Ų39.418%0.18220%0.203CC..Hα-helixtrans-66.6-43-179.771.60000110.7V37 Y96 S97 T98 Q102 H103 L106 F137V37-V100 HydrophobicContact CG2-CG2 4.18Å; Y96-V100 HydrophobicContact CE1-CG1 4.32Å; Y96-V100 HydrophobicContact CE2-CB 4.39Å; Y96-V100 WeakPolarHBondContact O-CG1 3.39Å; Y96-V100 PolarHBondContact O-N 2.71Å; S97-V100 WeakPolarHBondContact O-CG1 3.48Å; T98-V100 PolarHBondContact O-N 2.88Å; V100-Q102 PolarHBondContact O-N 3.23Å; V100-H103 WeakPolarHBondContact O-CB 3.34Å; V100-H103 PolarHBondContact O-N 2.74Å; V100-L106 HydrophobicContact CG2-CD2 3.79Å; V100-F137 WeakPolarHBondContact O-CE1 3.46Å
101G97.7Very high98Very high8 Ų843.2 Ų43.28%0.08222%0.216CC..Hα-helixtrans-68-14.5176.800000114.5S97 T98 F137 S140S97-G101 PolarHBondContact O-N 2.77Å; S97-G101 VanDerWaalsContact O-N 3.07Å; T98-G101 PolarHBondContact O-N 2.62Å; G101-F137 VanDerWaalsContact O-CD1 3.24Å; G101-F137 WeakPolarHBondContact O-CD1 3.24Å; G101-S140 WeakPolarHBondContact O-CB 3.41Å
102Q97.8Very high98.1Very high23 Ų2344.1 Ų44.111%0.10722%0.219CC..THydrogen-bonded Turntrans-115.912.7177.1-64.3177.4-3.500113T98 W99 V100 E104 S140 I142 Q149T98-Q102 HydrophobicContact CG2-CG 4.47Å; T98-Q102 VanDerWaalsContact O-CB 3.31Å; T98-Q102 WeakPolarHBondContact O-CB 3.48Å; T98-Q102 WeakPolarHBondContact O-CG 3.35Å; T98-Q102 PolarHBondContact O-N 2.97Å; W99-Q102 CarbonylContact O-C 3.26Å; W99-Q102 PolarHBondContact O-N 3.32Å; V100-Q102 PolarHBondContact O-N 3.23Å; Q102-E104 PolarHBondContact O-N 3.14Å; Q102-E104 VanDerWaalsContact O-N 3.16Å; Q102-S140 WeakPolarHBondContact CG-O 3.29Å; Q102-S140 PolarHBondContact NE2-O 3.12Å; Q102-I142 WeakPolarHBondContact O-CD1 3.17Å; Q102-Q149 HydrophobicContact CG-CG 4.47Å; Q102-Q149 PolarHBondContact NE2-O 3.41Å; Q102-Q149 VanDerWaalsContact OE1-CB 3.32Å; Q102-Q149 PolarHBondContact OE1-O 2.72Å
103H98.2Very high98.1Very high21 Ų2141.8 Ų41.810%0.09721%0.207CC..  trans-76.3104.5-179.4-171.6-49.9000111.4V37 E38 W99 V100 G105 L106 Y107V37-H103 VanDerWaalsContact CG1-CD2 3.47Å; V37-H103 WeakPolarHBondContact CG1-CD2 3.23Å; E38-H103 IonicContact OE1-NE2 3.68Å; E38-H103 PolarHBondContact OE1-NE2 2.89Å; E38-H103 IonicContact OE2-NE2 2.79Å; W99-H103 AromaticContact CE2-CD2 3.91Å; W99-H103 AromaticContact CH2-CD2 3.8Å; W99-H103 AromaticContact CZ2-CD2 3.48Å; W99-H103 VanDerWaalsContact CZ2-CD2 3.48Å; W99-H103 WeakPolarHBondContact CZ2-CD2 3.36Å; W99-H103 WeakPolarHBondContact O-CB 3.39Å; W99-H103 PolarHBondContact O-N 3.24Å; V100-H103 WeakPolarHBondContact O-CB 3.34Å; V100-H103 PolarHBondContact O-N 2.74Å; H103-G105 PolarHBondContact ND1-N 2.82Å; H103-G105 VanDerWaalsContact ND1-N 3.15Å; H103-G105 PolarHBondContact O-N 3.42Å; H103-L106 HydrophobicContact CB-CB 3.96Å; H103-L106 PolarHBondContact ND1-N 2.88Å; H103-L106 PolarHBondContact O-N 3.31Å; H103-Y107 PolarHBondContact O-N 3.1Å
104E97.3Very high98.1Very high87 Ų8744.3 Ų44.341%0.40721%0.214SC..Hα-helixtrans-58.7-42.2-176.2-69.7178.1-147.700114.6Q102 K108 I142 K146Q102-E104 PolarHBondContact O-N 3.14Å; Q102-E104 VanDerWaalsContact O-N 3.16Å; E104-K108 WeakPolarHBondContact O-CB 3.26Å; E104-K108 VanDerWaalsContact O-CG 3.27Å; E104-K108 WeakPolarHBondContact O-CG 3.45Å; E104-K108 PolarHBondContact O-N 3.05Å; E104-I142 HydrophobicContact CG-CD1 4.2Å; E104-K146 VanDerWaalsContact OE1-CE 3.24Å; E104-K146 WeakPolarHBondContact OE1-CE 3.17Å; E104-K146 IonicContact OE1-NZ 3.53Å; E104-K146 PolarHBondContact OE1-NZ 3.37Å
105G98.1Very high98.1Very high24 Ų2448.7 Ų48.725%0.24724%0.237CC..Hα-helixtrans-61.7-45.9177.700000112.4H103 K108 A109H103-G105 PolarHBondContact ND1-N 2.82Å; H103-G105 VanDerWaalsContact ND1-N 3.15Å; H103-G105 PolarHBondContact O-N 3.42Å; G105-K108 PolarHBondContact O-N 3.33Å; G105-A109 PolarHBondContact O-N 3.41Å
106L98.6Very high98Very high4 Ų445.1 Ų45.12%0.02123%0.228CC..Hα-helixtrans-65.5-45.1176.9-172.863.7000112.4V37 V40 V41 L52 L56 V100 H103 K108 A109 Y110 F137V37-L106 HydrophobicContact CG1-CB 4.35Å; V37-L106 HydrophobicContact CG1-CD2 4.01Å; V37-L106 HydrophobicContact CG2-CD2 4.27Å; V40-L106 HydrophobicContact CG2-CD1 4.41Å; V41-L106 HydrophobicContact CG2-CB 4Å; V41-L106 HydrophobicContact CG2-CD1 4.16Å; L52-L106 HydrophobicContact CD1-CD1 3.75Å; L56-L106 HydrophobicContact CD1-CD1 3.61Å; L56-L106 HydrophobicContact CD1-CD2 4.48Å; V100-L106 HydrophobicContact CG2-CD2 3.79Å; H103-L106 HydrophobicContact CB-CB 3.96Å; H103-L106 PolarHBondContact ND1-N 2.88Å; H103-L106 PolarHBondContact O-N 3.31Å; L106-K108 VanDerWaalsContact C-N 3.31Å; L106-K108 PolarHBondContact O-N 3.44Å; L106-A109 WeakPolarHBondContact O-CA 3.3Å; L106-A109 WeakPolarHBondContact O-CB 3.29Å; L106-A109 PolarHBondContact O-N 2.85Å; L106-Y110 HydrophobicContact CD1-CD2 4.05Å; L106-Y110 HydrophobicContact CD1-CE2 3.84Å; L106-Y110 HydrophobicContact CD2-CE2 4.46Å; L106-Y110 HydrophobicContact CG-CD2 4.02Å; L106-Y110 HydrophobicContact CG-CE2 4Å; L106-Y110 WeakPolarHBondContact O-CD2 3.24Å; L106-Y110 PolarHBondContact O-N 3.33Å; L106-F137 HydrophobicContact CB-CZ 4.31Å; L106-F137 HydrophobicContact CD2-CE1 4.28Å; L106-F137 HydrophobicContact CD2-CZ 3.74Å; L106-F137 HydrophobicContact CG-CE1 4.38Å; L106-F137 HydrophobicContact CG-CZ 3.74Å
107Y98.5Very high97.9Very high51 Ų5151.5 Ų51.520%0.226%0.263CS..Hα-helixtrans-57.3-45174.6176-115.4000111.7H103 A109 Y110 R111 L134 F137 I142H103-Y107 PolarHBondContact O-N 3.1Å; Y107-A109 VanDerWaalsContact C-N 3.3Å; Y107-A109 PolarHBondContact O-N 3.48Å; Y107-Y110 PolarHBondContact O-N 2.99Å; Y107-R111 HydrophobicContact CD1-CG 4.47Å; Y107-R111 HydrophobicContact CD2-CG 4.4Å; Y107-R111 HydrophobicContact CE1-CG 4.05Å; Y107-R111 HydrophobicContact CE2-CG 3.98Å; Y107-R111 WeakPolarHBondContact O-CG 3.27Å; Y107-R111 PolarHBondContact O-N 2.91Å; Y107-L134 HydrophobicContact CD2-CD2 4.02Å; Y107-L134 HydrophobicContact CE2-CD2 3.73Å; Y107-F137 HydrophobicContact CD2-CB 3.54Å; Y107-F137 HydrophobicContact CD2-CD1 4.13Å; Y107-F137 AromaticContact CD2-CD2 3.84Å; Y107-F137 HydrophobicContact CD2-CD2 3.84Å; Y107-F137 AromaticContact CD2-CG 3.6Å; Y107-F137 HydrophobicContact CD2-CG 3.6Å; Y107-F137 HydrophobicContact CE2-CB 3.97Å; Y107-F137 HydrophobicContact CE2-CG 4.45Å; Y107-F137 HydrophobicContact CG-CB 4.46Å; Y107-F137 HydrophobicContact CG-CD1 4.44Å; Y107-F137 HydrophobicContact CG-CG 4.34Å; Y107-I142 HydrophobicContact CD1-CG1 3.82Å; Y107-I142 HydrophobicContact CD1-CG2 4.43Å; Y107-I142 HydrophobicContact CD2-CG1 4.4Å; Y107-I142 HydrophobicContact CD2-CG2 4.29Å; Y107-I142 HydrophobicContact CE1-CG1 4.46Å; Y107-I142 HydrophobicContact CE1-CG2 4.37Å; Y107-I142 HydrophobicContact CE2-CG2 4.22Å; Y107-I142 HydrophobicContact CG-CG1 3.78Å; Y107-I142 HydrophobicContact CG-CG2 4.39Å
108K98.2Very high97.9Very high132 Ų13251.6 Ų51.657%0.57426%0.255SS*.Hα-helixtrans-62-37.2174.7-72.8170.5-173.1167.80112.2E104 G105 L106 R111 D112E104-K108 WeakPolarHBondContact O-CB 3.26Å; E104-K108 VanDerWaalsContact O-CG 3.27Å; E104-K108 WeakPolarHBondContact O-CG 3.45Å; E104-K108 PolarHBondContact O-N 3.05Å; G105-K108 PolarHBondContact O-N 3.33Å; L106-K108 VanDerWaalsContact C-N 3.31Å; L106-K108 PolarHBondContact O-N 3.44Å; K108-R111 PolarHBondContact O-N 3.41Å; K108-D112 WeakPolarHBondContact O-CB 3.23Å; K108-D112 PolarHBondContact O-N 3.35Å
109A98.5Very high97.9Very high0 Ų052.6 Ų52.60%026%0.257CS..Hα-helixtrans-65.3-43.3176.300000112.2Y47 L52 G105 L106 Y107 D112 L113Y47-A109 HydrophobicContact CD1-CB 3.95Å; Y47-A109 HydrophobicContact CD2-CB 3.69Å; Y47-A109 HydrophobicContact CE1-CB 3.73Å; Y47-A109 VanDerWaalsContact CE2-CA 3.5Å; Y47-A109 HydrophobicContact CE2-CB 3.48Å; Y47-A109 VanDerWaalsContact CE2-CB 3.48Å; Y47-A109 HydrophobicContact CG-CB 3.92Å; Y47-A109 VanDerWaalsContact CZ-CB 3.49Å; L52-A109 HydrophobicContact CD1-CB 3.81Å; L52-A109 HydrophobicContact CD2-CB 3.97Å; G105-A109 PolarHBondContact O-N 3.41Å; L106-A109 WeakPolarHBondContact O-CA 3.3Å; L106-A109 WeakPolarHBondContact O-CB 3.29Å; L106-A109 PolarHBondContact O-N 2.85Å; Y107-A109 VanDerWaalsContact C-N 3.3Å; Y107-A109 PolarHBondContact O-N 3.48Å; A109-D112 PolarHBondContact O-N 3.05Å; A109-L113 PolarHBondContact O-N 2.91Å
110Y98.6Very high97.9Very high28 Ų2852.7 Ų52.711%0.1127%0.274CS..Hα-helixtrans-64.2-39.9173.6-88.9-85.1000112.4L52 L56 L106 Y107 L113 R114 V130 A133 F137L52-Y110 HydrophobicContact CD2-CD1 4.44Å; L52-Y110 HydrophobicContact CD2-CD2 4.18Å; L52-Y110 HydrophobicContact CD2-CE2 4.42Å; L52-Y110 HydrophobicContact CD2-CG 4.19Å; L52-Y110 HydrophobicContact CG-CE2 4.43Å; L56-Y110 HydrophobicContact CD1-CE2 4.09Å; L106-Y110 HydrophobicContact CD1-CD2 4.05Å; L106-Y110 HydrophobicContact CD1-CE2 3.84Å; L106-Y110 HydrophobicContact CD2-CE2 4.46Å; L106-Y110 HydrophobicContact CG-CD2 4.02Å; L106-Y110 HydrophobicContact CG-CE2 4Å; L106-Y110 WeakPolarHBondContact O-CD2 3.24Å; L106-Y110 PolarHBondContact O-N 3.33Å; Y107-Y110 PolarHBondContact O-N 2.99Å; Y110-L113 PolarHBondContact O-N 2.85Å; Y110-R114 VanDerWaalsContact O-CB 3.23Å; Y110-R114 WeakPolarHBondContact O-CB 3.24Å; Y110-R114 PolarHBondContact O-N 2.77Å; Y110-V130 HydrophobicContact CD1-CG1 4.33Å; Y110-A133 HydrophobicContact CD1-CB 3.96Å; Y110-A133 HydrophobicContact CE1-CB 3.7Å; Y110-F137 AromaticContact CD2-CE2 3.6Å; Y110-F137 HydrophobicContact CD2-CE2 3.6Å; Y110-F137 HydrophobicContact CD2-CZ 4.02Å; Y110-F137 HydrophobicContact CE2-CE2 4.06Å; Y110-F137 HydrophobicContact CE2-CZ 4.32Å; Y110-F137 HydrophobicContact CG-CE2 4.06Å
111R98.2Very high97.8Very high89 Ų8956.4 Ų56.434%0.33630%0.296SS..Hα-helixtrans-62.5-45.6173.8-74.4-62.1-52.9-162.17.2111.9Y107 K108 R114 D115 L134Y107-R111 HydrophobicContact CD1-CG 4.47Å; Y107-R111 HydrophobicContact CD2-CG 4.4Å; Y107-R111 HydrophobicContact CE1-CG 4.05Å; Y107-R111 HydrophobicContact CE2-CG 3.98Å; Y107-R111 WeakPolarHBondContact O-CG 3.27Å; Y107-R111 PolarHBondContact O-N 2.91Å; K108-R111 PolarHBondContact O-N 3.41Å; R111-R114 PolarHBondContact O-N 3.38Å; R111-D115 IonicContact CZ-OD2 3.29Å; R111-D115 IonicContact NE-OD2 3.02Å; R111-D115 PolarHBondContact NE-OD2 3.17Å; R111-D115 IonicContact NH2-OD1 3.88Å; R111-D115 PolarHBondContact NH2-OD1 3.33Å; R111-D115 IonicContact NH2-OD2 3.89Å; R111-D115 PolarHBondContact NH2-OD2 3.08Å; R111-D115 VanDerWaalsContact O-CB 3.28Å; R111-D115 WeakPolarHBondContact O-CB 3.35Å; R111-D115 VanDerWaalsContact O-CG 3.29Å; R111-D115 PolarHBondContact O-N 3.1Å; R111-L134 HydrophobicContact CG-CD2 3.83Å
112D98.1Very high97.8Very high63 Ų6356.5 Ų56.534%0.33730%0.295SS..Hα-helixtrans-62.9-44177.1-179.3-134.2000111.8A45 Y47 K108 A109 R114 D115 G116A45-D112 WeakPolarHBondContact CB-OD1 3.39Å; Y47-D112 HydrophobicContact CD2-CB 3.9Å; Y47-D112 WeakPolarHBondContact CD2-OD1 3.04Å; Y47-D112 HydrophobicContact CE2-CB 4.44Å; K108-D112 WeakPolarHBondContact O-CB 3.23Å; K108-D112 PolarHBondContact O-N 3.35Å; A109-D112 PolarHBondContact O-N 3.05Å; D112-R114 PolarHBondContact O-N 2.92Å; D112-D115 PolarHBondContact O-N 3Å; D112-G116 WeakPolarHBondContact O-CA 3.47Å; D112-G116 PolarHBondContact O-N 2.97Å
113L98.4Very high97.8Very high1 Ų159.4 Ų59.41%0.00531%0.311CS..Hα-helixtrans-55.9-52171.7173.158.2000110.5Y47 L52 C53 A109 Y110 D115 G116 H118 Y119 V130Y47-L113 WeakPolarHBondContact O-CD1 3.2Å; L52-L113 HydrophobicContact CD2-CB 4.23Å; L52-L113 HydrophobicContact CD2-CD2 4.13Å; C53-L113 VanDerWaalsContact SG-CD2 3.59Å; A109-L113 PolarHBondContact O-N 2.91Å; Y110-L113 PolarHBondContact O-N 2.85Å; L113-D115 PolarHBondContact O-N 3.29Å; L113-G116 PolarHBondContact O-N 3.42Å; L113-H118 HydrophobicContact CD1-CB 3.97Å; L113-Y119 WeakPolarHBondContact O-CB 3.28Å; L113-V130 HydrophobicContact CD2-CG2 3.82Å
114R98.4Very high97.8Very high84 Ų8462.3 Ų62.332%0.31733%0.331SS..Hα-helixtrans-63.5-37.3-175.9177.158.5177.875-1.5114.3Y110 R111 D112 Y119 V130 D131 L134Y110-R114 VanDerWaalsContact O-CB 3.23Å; Y110-R114 WeakPolarHBondContact O-CB 3.24Å; Y110-R114 PolarHBondContact O-N 2.77Å; R111-R114 PolarHBondContact O-N 3.38Å; D112-R114 PolarHBondContact O-N 2.92Å; R114-Y119 VanDerWaalsContact CD-CD2 3.47Å; R114-Y119 VanDerWaalsContact CD-CZ 3.45Å; R114-Y119 VanDerWaalsContact NE-CZ 3.33Å; R114-Y119 PolarHBondContact NE-OH 2.91Å; R114-V130 HydrophobicContact CB-CG1 4.06Å; R114-D131 WeakPolarHBondContact CD-OD1 3.44Å; R114-D131 IonicContact CZ-OD1 3.31Å; R114-D131 IonicContact NE-OD1 3.29Å; R114-D131 PolarHBondContact NE-OD1 3.49Å; R114-D131 IonicContact NH2-OD1 3.5Å; R114-L134 HydrophobicContact CB-CD1 3.68Å; R114-L134 HydrophobicContact CG-CD1 3.58Å
115D97.8Very high97.9Very high104 Ų10458.6 Ų58.656%0.55632%0.315SS*.Hα-helixtrans-90.8-13.6-176.7-65-26.7000111.8R111 D112 L113R111-D115 IonicContact CZ-OD2 3.29Å; R111-D115 IonicContact NE-OD2 3.02Å; R111-D115 PolarHBondContact NE-OD2 3.17Å; R111-D115 IonicContact NH2-OD1 3.88Å; R111-D115 PolarHBondContact NH2-OD1 3.33Å; R111-D115 IonicContact NH2-OD2 3.89Å; R111-D115 PolarHBondContact NH2-OD2 3.08Å; R111-D115 VanDerWaalsContact O-CB 3.28Å; R111-D115 WeakPolarHBondContact O-CB 3.35Å; R111-D115 VanDerWaalsContact O-CG 3.29Å; R111-D115 PolarHBondContact O-N 3.1Å; D112-D115 PolarHBondContact O-N 3Å; L113-D115 PolarHBondContact O-N 3.29Å
116G96.5Very high97.9Very high28 Ų2858.8 Ų58.829%0.28931%0.309SS..SBendtrans-93.8172.6-178.800000115.5D112 L113 H118 Y119D112-G116 WeakPolarHBondContact O-CA 3.47Å; D112-G116 PolarHBondContact O-N 2.97Å; L113-G116 PolarHBondContact O-N 3.42Å; G116-H118 PolarHBondContact O-N 3.09Å; G116-Y119 PolarHBondContact O-N 3.2Å
117D95.9Very high97.9Very high150 Ų15061.5 Ų61.580%0.80232%0.321SS*.Hα-helixtrans-62.6-28.1-174.7-67.8-26.2000113.5Y119 A120D117-Y119 VanDerWaalsContact C-N 3.33Å; D117-Y119 PolarHBondContact O-N 3Å; D117-A120 WeakPolarHBondContact O-CB 3.27Å; D117-A120 PolarHBondContact O-N 2.86Å
118H97Very high97.9Very high73 Ų7360.5 Ų60.534%0.33832%0.318SS..Hα-helixtrans-68.1-30-178.3-69.9-66.9000113T48 L113 G116 A120 T121T48-H118 HydrophobicContact CG2-CB 4.39Å; L113-H118 HydrophobicContact CD1-CB 3.97Å; G116-H118 PolarHBondContact O-N 3.09Å; H118-A120 PolarHBondContact O-N 2.84Å; H118-T121 PolarHBondContact O-N 3Å; H118-T121 VanDerWaalsContact O-N 3.08Å; H118-T121 PolarHBondContact O-OG1 3.43Å
119Y98.4Very high97.9Very high34 Ų3455 Ų5513%0.13330%0.297CS..Hα-helixtrans-60.5-35.6175.6178.2-95.7000112.3L113 R114 G116 D117 T121 L122 K127 V130 D131L113-Y119 WeakPolarHBondContact O-CB 3.28Å; R114-Y119 VanDerWaalsContact CD-CD2 3.47Å; R114-Y119 VanDerWaalsContact CD-CZ 3.45Å; R114-Y119 VanDerWaalsContact NE-CZ 3.33Å; R114-Y119 PolarHBondContact NE-OH 2.91Å; G116-Y119 PolarHBondContact O-N 3.2Å; D117-Y119 VanDerWaalsContact C-N 3.33Å; D117-Y119 PolarHBondContact O-N 3Å; Y119-T121 PolarHBondContact O-N 2.88Å; Y119-L122 HydrophobicContact CD2-CD1 3.88Å; Y119-L122 WeakPolarHBondContact O-CB 3.21Å; Y119-L122 PolarHBondContact O-N 2.88Å; Y119-L122 VanDerWaalsContact O-N 3.15Å; Y119-K127 HydrophobicContact CD2-CG 4.29Å; Y119-K127 HydrophobicContact CE1-CD 4.13Å; Y119-K127 HydrophobicContact CE1-CG 4.14Å; Y119-K127 HydrophobicContact CE2-CB 3.91Å; Y119-K127 HydrophobicContact CE2-CG 3.76Å; Y119-K127 WeakPolarHBondContact O-CE 3.46Å; Y119-V130 HydrophobicContact CD2-CB 4.49Å; Y119-V130 HydrophobicContact CD2-CG1 4.13Å; Y119-V130 HydrophobicContact CE2-CB 4.25Å; Y119-V130 HydrophobicContact CE2-CG1 4.09Å; Y119-D131 PolarHBondContact OH-OD1 3.49Å; Y119-D131 PolarHBondContact OH-OD2 2.76Å
120A97Very high97.9Very high73 Ų7355 Ų5560%0.60330%0.297SS*.Hα-helixtrans-61-31.1178.100000112.5D117 H118 K127D117-A120 WeakPolarHBondContact O-CB 3.27Å; D117-A120 PolarHBondContact O-N 2.86Å; H118-A120 PolarHBondContact O-N 2.84Å; A120-K127 PolarHBondContact O-NZ 2.81Å; A120-K127 VanDerWaalsContact O-NZ 3.11Å
121T97.2Very high97.9Very high108 Ų10856.1 Ų56.166%0.66331%0.305SS*.Hα-helixtrans-79.1-16.1-179.472.80000114.1H118 Y119H118-T121 PolarHBondContact O-N 3Å; H118-T121 VanDerWaalsContact O-N 3.08Å; H118-T121 PolarHBondContact O-OG1 3.43Å; Y119-T121 PolarHBondContact O-N 2.88Å
122L98.3Very high97.9Very high10 Ų1052.4 Ų52.45%0.05229%0.291CS..SBendtrans-67.3145.3178.6-59.9-176.5000111.6W49 Y119 Q126 K127 V130W49-L122 HydrophobicContact CB-CD2 3.71Å; W49-L122 HydrophobicContact CE3-CD2 4.28Å; W49-L122 HydrophobicContact CG-CD2 4.41Å; Y119-L122 HydrophobicContact CD2-CD1 3.88Å; Y119-L122 WeakPolarHBondContact O-CB 3.21Å; Y119-L122 PolarHBondContact O-N 2.88Å; Y119-L122 VanDerWaalsContact O-N 3.15Å; L122-Q126 HydrophobicContact CB-CB 3.83Å; L122-Q126 HydrophobicContact CD1-CB 4.3Å; L122-Q126 HydrophobicContact CD2-CB 4.25Å; L122-Q126 HydrophobicContact CG-CB 4.33Å; L122-K127 HydrophobicContact CB-CG 3.72Å; L122-K127 WeakPolarHBondContact O-CE 3.45Å; L122-K127 PolarHBondContact O-NZ 3.25Å; L122-K127 VanDerWaalsContact O-NZ 3.08Å; L122-V130 HydrophobicContact CD1-CG2 4Å
123N97.8Very high97.9Very high84 Ų8450.3 Ų50.345%0.44928%0.283SS..  trans-73.1171.5170.572.745.4000111.4A125 Q126 K127N123-A125 PolarHBondContact O-N 3.25Å; N123-A125 PolarHBondContact OD1-N 3.16Å; N123-Q126 PolarHBondContact ND2-OE1 2.99Å; N123-Q126 PolarHBondContact O-N 3.24Å; N123-Q126 WeakPolarHBondContact OD1-CG 3.42Å; N123-Q126 PolarHBondContact OD1-N 3.23Å; N123-K127 WeakPolarHBondContact O-CG 3.48Å; N123-K127 PolarHBondContact O-N 2.87Å
124T97.8Very high97.9Very high82 Ų8250.9 Ų50.950%0.50329%0.286SS..Hα-helixtrans-54.3-47-177.3-53.10000113.2K127 K128 E643T124-K127 PolarHBondContact O-N 2.93Å; T124-K128 WeakPolarHBondContact O-CB 3.24Å; T124-K128 PolarHBondContact O-N 3.34Å; T124-E643 HydrophobicContact CG2-CG 3.6Å
125A98.3Very high97.9Very high9 Ų950 Ų507%0.07428%0.282CS..Hα-helixtrans-67.3-41-178.400000112.2N123 K128 A129 I482 V487N123-A125 PolarHBondContact O-N 3.25Å; N123-A125 PolarHBondContact OD1-N 3.16Å; A125-K128 PolarHBondContact O-N 2.84Å; A125-A129 WeakPolarHBondContact O-CB 3.18Å; A125-A129 PolarHBondContact O-N 3.19Å; A125-I482 HydrophobicContact CB-CD1 4.47Å; A125-I482 HydrophobicContact CB-CG2 3.77Å; A125-V487 HydrophobicContact CB-CG2 3.93Å; A125-V487 WeakPolarHBondContact O-CG2 3.15Å
126Q98.5Very high97.9Very high28 Ų2848 Ų4813%0.13127%0.272CS..Hα-helixtrans-63.7-42.6175.5-71.8174.6-40.800111.7W49 L122 N123 A129 V130W49-Q126 VanDerWaalsContact CD1-NE2 3.34Å; W49-Q126 HydrophobicContact CD2-CB 4.34Å; W49-Q126 HydrophobicContact CD2-CG 3.79Å; W49-Q126 VanDerWaalsContact CD2-NE2 3.3Å; W49-Q126 HydrophobicContact CE3-CB 3.71Å; W49-Q126 HydrophobicContact CE3-CG 3.65Å; W49-Q126 VanDerWaalsContact CG-NE2 3.29Å; W49-Q126 HydrophobicContact CH2-CB 4.27Å; W49-Q126 HydrophobicContact CH2-CG 3.9Å; W49-Q126 HydrophobicContact CZ2-CG 3.99Å; W49-Q126 HydrophobicContact CZ3-CB 3.66Å; W49-Q126 HydrophobicContact CZ3-CG 3.7Å; L122-Q126 HydrophobicContact CB-CB 3.83Å; L122-Q126 HydrophobicContact CD1-CB 4.3Å; L122-Q126 HydrophobicContact CD2-CB 4.25Å; L122-Q126 HydrophobicContact CG-CB 4.33Å; N123-Q126 PolarHBondContact ND2-OE1 2.99Å; N123-Q126 PolarHBondContact O-N 3.24Å; N123-Q126 WeakPolarHBondContact OD1-CG 3.42Å; N123-Q126 PolarHBondContact OD1-N 3.23Å; Q126-A129 PolarHBondContact O-N 2.77Å; Q126-V130 WeakPolarHBondContact O-CG2 3.4Å; Q126-V130 PolarHBondContact O-N 2.85Å
127K98.7Very high98Very high60 Ų6047.3 Ų47.326%0.26126%0.261SS..Hα-helixtrans-59.7-50.4174.9-73.9178.8173.8153.50111.1Y119 A120 L122 N123 T124 A129 V130 D131Y119-K127 HydrophobicContact CD2-CG 4.29Å; Y119-K127 HydrophobicContact CE1-CD 4.13Å; Y119-K127 HydrophobicContact CE1-CG 4.14Å; Y119-K127 HydrophobicContact CE2-CB 3.91Å; Y119-K127 HydrophobicContact CE2-CG 3.76Å; Y119-K127 WeakPolarHBondContact O-CE 3.46Å; A120-K127 PolarHBondContact O-NZ 2.81Å; A120-K127 VanDerWaalsContact O-NZ 3.11Å; L122-K127 HydrophobicContact CB-CG 3.72Å; L122-K127 WeakPolarHBondContact O-CE 3.45Å; L122-K127 PolarHBondContact O-NZ 3.25Å; L122-K127 VanDerWaalsContact O-NZ 3.08Å; N123-K127 WeakPolarHBondContact O-CG 3.48Å; N123-K127 PolarHBondContact O-N 2.87Å; T124-K127 PolarHBondContact O-N 2.93Å; K127-A129 VanDerWaalsContact C-N 3.31Å; K127-A129 PolarHBondContact O-N 2.93Å; K127-V130 PolarHBondContact O-N 3.03Å; K127-V130 VanDerWaalsContact O-N 3.14Å; K127-D131 VanDerWaalsContact O-CG 3.29Å; K127-D131 PolarHBondContact O-N 2.85Å; K127-D131 VanDerWaalsContact O-OD2 3.12Å
128K98.5Very high98.1Very high31 Ų3145.5 Ų45.514%0.13525%0.248CC..Hα-helixtrans-60.3-39.4178.9-17462172.7172.40112.4T124 A125 D131 N132 V487 G641 S642 E644T124-K128 WeakPolarHBondContact O-CB 3.24Å; T124-K128 PolarHBondContact O-N 3.34Å; A125-K128 PolarHBondContact O-N 2.84Å; K128-D131 PolarHBondContact O-N 3.23Å; K128-N132 VanDerWaalsContact O-CB 3.29Å; K128-N132 WeakPolarHBondContact O-CB 3.29Å; K128-N132 VanDerWaalsContact O-CG 3.22Å; K128-N132 PolarHBondContact O-N 2.88Å; K128-V487 HydrophobicContact CB-CG1 4.37Å; K128-V487 HydrophobicContact CG-CG1 3.94Å; K128-G641 VanDerWaalsContact CG-O 3.23Å; K128-G641 WeakPolarHBondContact CG-O 3.26Å; K128-S642 WeakPolarHBondContact CB-O 3.49Å; K128-S642 WeakPolarHBondContact CG-O 3.35Å; K128-E644 IonicContact NZ-OE1 3.71Å; K128-E644 PolarHBondContact NZ-OE1 2.91Å; K128-E644 IonicContact NZ-OE2 3.48Å
129A98.5Very high98.1Very high16 Ų1642.8 Ų42.813%0.13224%0.235CC..Hα-helixtrans-63.6-42.6174.800000112.5W49 A125 Q126 K127 A133 T484 V487W49-A129 HydrophobicContact CH2-CB 4.36Å; W49-A129 HydrophobicContact CZ3-CB 4.47Å; A125-A129 WeakPolarHBondContact O-CB 3.18Å; A125-A129 PolarHBondContact O-N 3.19Å; Q126-A129 PolarHBondContact O-N 2.77Å; K127-A129 VanDerWaalsContact C-N 3.31Å; K127-A129 PolarHBondContact O-N 2.93Å; A129-A133 WeakPolarHBondContact O-CB 3.2Å; A129-A133 PolarHBondContact O-N 3.16Å; A129-T484 HydrophobicContact CB-CG2 3.65Å; A129-V487 HydrophobicContact CB-CG1 4.33Å; A129-V487 HydrophobicContact CB-CG2 4.32Å
130V98.7Very high98.1Very high0 Ų042 Ų420%024%0.235CC..Hα-helixtrans-63.9-44.2175.1169.50000111.2W49 Y110 L113 R114 Y119 L122 Q126 K127 A133 L134W49-V130 HydrophobicContact CZ3-CG2 4.38Å; Y110-V130 HydrophobicContact CD1-CG1 4.33Å; L113-V130 HydrophobicContact CD2-CG2 3.82Å; R114-V130 HydrophobicContact CB-CG1 4.06Å; Y119-V130 HydrophobicContact CD2-CB 4.49Å; Y119-V130 HydrophobicContact CD2-CG1 4.13Å; Y119-V130 HydrophobicContact CE2-CB 4.25Å; Y119-V130 HydrophobicContact CE2-CG1 4.09Å; L122-V130 HydrophobicContact CD1-CG2 4Å; Q126-V130 WeakPolarHBondContact O-CG2 3.4Å; Q126-V130 PolarHBondContact O-N 2.85Å; K127-V130 PolarHBondContact O-N 3.03Å; K127-V130 VanDerWaalsContact O-N 3.14Å; V130-A133 PolarHBondContact O-N 3.19Å; V130-L134 HydrophobicContact CG1-CD1 4.46Å; V130-L134 WeakPolarHBondContact O-CG 3.49Å; V130-L134 PolarHBondContact O-N 2.85Å
131D98.5Very high98.1Very high52 Ų5238.7 Ų38.728%0.27821%0.208SC..Hα-helixtrans-65.9-42.8179.2-66.3-38.3000111.6R114 Y119 K127 K128 L134 R135R114-D131 WeakPolarHBondContact CD-OD1 3.44Å; R114-D131 IonicContact CZ-OD1 3.31Å; R114-D131 IonicContact NE-OD1 3.29Å; R114-D131 PolarHBondContact NE-OD1 3.49Å; R114-D131 IonicContact NH2-OD1 3.5Å; Y119-D131 PolarHBondContact OH-OD1 3.49Å; Y119-D131 PolarHBondContact OH-OD2 2.76Å; K127-D131 VanDerWaalsContact O-CG 3.29Å; K127-D131 PolarHBondContact O-N 2.85Å; K127-D131 VanDerWaalsContact O-OD2 3.12Å; K128-D131 PolarHBondContact O-N 3.23Å; D131-L134 PolarHBondContact O-N 2.88Å; D131-R135 PolarHBondContact O-N 2.92Å
132N98.4Very high98.1Very high10 Ų1034.4 Ų34.45%0.05318%0.18CC..Hα-helixtrans-61.8-44.6173.8-75.7-5.1000111.1K128 L134 R135 D136K128-N132 VanDerWaalsContact O-CB 3.29Å; K128-N132 WeakPolarHBondContact O-CB 3.29Å; K128-N132 VanDerWaalsContact O-CG 3.22Å; K128-N132 PolarHBondContact O-N 2.88Å; N132-L134 VanDerWaalsContact C-N 3.33Å; N132-L134 PolarHBondContact O-N 3.26Å; N132-R135 WeakPolarHBondContact O-CB 3.27Å; N132-R135 PolarHBondContact O-N 2.94Å; N132-D136 WeakPolarHBondContact O-CB 3.41Å; N132-D136 PolarHBondContact O-N 2.89Å
133A98.4Very high97.9Very high20 Ų2037.5 Ų37.517%0.16522%0.215CC..Hα-helixtrans-57.9-45.7177.400000111.4Y110 A129 V130 D136 F137Y110-A133 HydrophobicContact CD1-CB 3.96Å; Y110-A133 HydrophobicContact CE1-CB 3.7Å; A129-A133 WeakPolarHBondContact O-CB 3.2Å; A129-A133 PolarHBondContact O-N 3.16Å; V130-A133 PolarHBondContact O-N 3.19Å; A133-D136 PolarHBondContact O-N 3.16Å; A133-D136 VanDerWaalsContact O-N 3.12Å; A133-F137 WeakPolarHBondContact O-CD2 3.47Å; A133-F137 PolarHBondContact O-N 3.25Å
134L98.6Very high97.8Very high12 Ų1235 Ų356%0.06320%0.201CC..Hα-helixtrans-60.8-45.9176.8-74.1173.8000112.9Y107 R111 R114 V130 D131 N132 D136 F137 E138Y107-L134 HydrophobicContact CD2-CD2 4.02Å; Y107-L134 HydrophobicContact CE2-CD2 3.73Å; R111-L134 HydrophobicContact CG-CD2 3.83Å; R114-L134 HydrophobicContact CB-CD1 3.68Å; R114-L134 HydrophobicContact CG-CD1 3.58Å; V130-L134 HydrophobicContact CG1-CD1 4.46Å; V130-L134 WeakPolarHBondContact O-CG 3.49Å; V130-L134 PolarHBondContact O-N 2.85Å; D131-L134 PolarHBondContact O-N 2.88Å; N132-L134 VanDerWaalsContact C-N 3.33Å; N132-L134 PolarHBondContact O-N 3.26Å; L134-D136 VanDerWaalsContact C-N 3.26Å; L134-D136 PolarHBondContact O-N 3.34Å; L134-F137 PolarHBondContact O-N 2.99Å; L134-E138 PolarHBondContact O-N 2.66Å
135R97.8Very high97.7Very high65 Ų6535 Ų3525%0.24520%0.203CC..Hα-helixtrans-56.7-43.2171.8177.8-158.367.1-169.1-2.6110.9D131 N132 E138 L139D131-R135 PolarHBondContact O-N 2.92Å; N132-R135 WeakPolarHBondContact O-CB 3.27Å; N132-R135 PolarHBondContact O-N 2.94Å; R135-E138 WeakPolarHBondContact O-CB 3.37Å; R135-E138 PolarHBondContact O-N 3.07Å; R135-E138 VanDerWaalsContact O-N 3.17Å; R135-L139 HydrophobicContact CG-CD1 3.94Å; R135-L139 HydrophobicContact CG-CG 4.39Å; R135-L139 WeakPolarHBondContact O-CG 3.2Å; R135-L139 PolarHBondContact O-N 3.21Å
136D98.2Very high97.5Very high64 Ų6440.7 Ų40.734%0.34223%0.226SC..Hα-helixtrans-72.3-30.5-175.6-63.6-15.3000112.1N132 A133 L134 L139 S140N132-D136 WeakPolarHBondContact O-CB 3.41Å; N132-D136 PolarHBondContact O-N 2.89Å; A133-D136 PolarHBondContact O-N 3.16Å; A133-D136 VanDerWaalsContact O-N 3.12Å; L134-D136 VanDerWaalsContact C-N 3.26Å; L134-D136 PolarHBondContact O-N 3.34Å; D136-L139 CarbonylContact O-C 3.46Å; D136-L139 PolarHBondContact O-N 3.06Å; D136-S140 VanDerWaalsContact O-CB 3.23Å; D136-S140 WeakPolarHBondContact O-CB 3.49Å; D136-S140 PolarHBondContact O-N 3.16Å; D136-S140 PolarHBondContact O-OG 3.36Å
137F98.5Very high97.4Very high13 Ų1347 Ų476%0.05726%0.256CS..Hα-helixtrans-60.5-45.3166.4-80.4-74.8000111.6V100 G101 L106 Y107 Y110 A133 L134 S140 G141 I142V100-F137 WeakPolarHBondContact O-CE1 3.46Å; G101-F137 VanDerWaalsContact O-CD1 3.24Å; G101-F137 WeakPolarHBondContact O-CD1 3.24Å; L106-F137 HydrophobicContact CB-CZ 4.31Å; L106-F137 HydrophobicContact CD2-CE1 4.28Å; L106-F137 HydrophobicContact CD2-CZ 3.74Å; L106-F137 HydrophobicContact CG-CE1 4.38Å; L106-F137 HydrophobicContact CG-CZ 3.74Å; Y107-F137 HydrophobicContact CD2-CB 3.54Å; Y107-F137 HydrophobicContact CD2-CD1 4.13Å; Y107-F137 AromaticContact CD2-CD2 3.84Å; Y107-F137 HydrophobicContact CD2-CD2 3.84Å; Y107-F137 AromaticContact CD2-CG 3.6Å; Y107-F137 HydrophobicContact CD2-CG 3.6Å; Y107-F137 HydrophobicContact CE2-CB 3.97Å; Y107-F137 HydrophobicContact CE2-CG 4.45Å; Y107-F137 HydrophobicContact CG-CB 4.46Å; Y107-F137 HydrophobicContact CG-CD1 4.44Å; Y107-F137 HydrophobicContact CG-CG 4.34Å; Y110-F137 AromaticContact CD2-CE2 3.6Å; Y110-F137 HydrophobicContact CD2-CE2 3.6Å; Y110-F137 HydrophobicContact CD2-CZ 4.02Å; Y110-F137 HydrophobicContact CE2-CE2 4.06Å; Y110-F137 HydrophobicContact CE2-CZ 4.32Å; Y110-F137 HydrophobicContact CG-CE2 4.06Å; A133-F137 WeakPolarHBondContact O-CD2 3.47Å; A133-F137 PolarHBondContact O-N 3.25Å; L134-F137 PolarHBondContact O-N 2.99Å; F137-S140 CarbonylContact O-C 3.56Å; F137-S140 PolarHBondContact O-N 2.87Å; F137-G141 PolarHBondContact O-N 3.13Å; F137-I142 HydrophobicContact CB-CB 4.31Å; F137-I142 HydrophobicContact CB-CG2 3.99Å; F137-I142 WeakPolarHBondContact O-CB 3.42Å; F137-I142 VanDerWaalsContact O-CG2 3.28Å; F137-I142 WeakPolarHBondContact O-CG2 3.46Å; F137-I142 PolarHBondContact O-N 3.21Å; F137-I142 VanDerWaalsContact O-N 3.1Å
138E97.4Very high97.3Very high111 Ų11148.9 Ų48.952%0.51926%0.264SS..Hα-helixtrans-63.1-44.8177-67178.1179.200111.4L134 R135 S140 G141L134-E138 PolarHBondContact O-N 2.66Å; R135-E138 WeakPolarHBondContact O-CB 3.37Å; R135-E138 PolarHBondContact O-N 3.07Å; R135-E138 VanDerWaalsContact O-N 3.17Å; E138-S140 PolarHBondContact O-N 2.85Å; E138-G141 PolarHBondContact O-N 3.3Å
139L97.5Very high97.3Very high16 Ų1647.9 Ų47.98%0.08426%0.259CS..Hα-helixtrans-70-13.2175.4-65.4176.7000113.8R135 D136 Y152 L273 F275 A284 T285R135-L139 HydrophobicContact CG-CD1 3.94Å; R135-L139 HydrophobicContact CG-CG 4.39Å; R135-L139 WeakPolarHBondContact O-CG 3.2Å; R135-L139 PolarHBondContact O-N 3.21Å; D136-L139 CarbonylContact O-C 3.46Å; D136-L139 PolarHBondContact O-N 3.06Å; L139-Y152 WeakPolarHBondContact O-CE2 3.39Å; L139-Y152 PolarHBondContact O-OH 3.12Å; L139-L273 WeakPolarHBondContact O-CD1 3.45Å; L139-F275 HydrophobicContact CD2-CE2 3.76Å; L139-F275 HydrophobicContact CD2-CZ 3.74Å; L139-A284 HydrophobicContact CD1-CB 4.33Å; L139-A284 HydrophobicContact CD2-CB 3.99Å; L139-T285 HydrophobicContact CD1-CG2 3.48Å; L139-T285 VanDerWaalsContact CD1-CG2 3.48Å
140S97.4Very high97.2Very high19 Ų1953.1 Ų53.113%0.13328%0.281CS..THydrogen-bonded Turntrans-91-1.2170.5-61.10000113G101 Q102 D136 F137 E138 Y152G101-S140 WeakPolarHBondContact O-CB 3.41Å; Q102-S140 WeakPolarHBondContact CG-O 3.29Å; Q102-S140 PolarHBondContact NE2-O 3.12Å; D136-S140 VanDerWaalsContact O-CB 3.23Å; D136-S140 WeakPolarHBondContact O-CB 3.49Å; D136-S140 PolarHBondContact O-N 3.16Å; D136-S140 PolarHBondContact O-OG 3.36Å; F137-S140 CarbonylContact O-C 3.56Å; F137-S140 PolarHBondContact O-N 2.87Å; E138-S140 PolarHBondContact O-N 2.85Å; S140-Y152 WeakPolarHBondContact CA-OH 3.48Å
141G96.7Very high97.2Very high2 Ų257 Ų572%0.02130%0.296CS..THydrogen-bonded Turntrans79.726.9176.400000114.2F137 E138 G143 L144 Q149F137-G141 PolarHBondContact O-N 3.13Å; E138-G141 PolarHBondContact O-N 3.3Å; G141-G143 PolarHBondContact O-N 3.3Å; G141-G143 VanDerWaalsContact O-N 3.12Å; G141-L144 VanDerWaalsContact O-CB 3.25Å; G141-L144 WeakPolarHBondContact O-CB 3.47Å; G141-L144 WeakPolarHBondContact O-CG 3.21Å; G141-L144 PolarHBondContact O-N 3.14Å; G141-Q149 WeakPolarHBondContact O-CG 3.4Å; G141-Q149 PolarHBondContact O-NE2 2.98Å
142I97.1Very high97.2Very high18 Ų1855.8 Ų55.89%0.09229%0.288CS..THydrogen-bonded Turntrans-54.5-32.2176.5-17063.8000112.8Q102 E104 Y107 F137 L144 Q149Q102-I142 WeakPolarHBondContact O-CD1 3.17Å; E104-I142 HydrophobicContact CG-CD1 4.2Å; Y107-I142 HydrophobicContact CD1-CG1 3.82Å; Y107-I142 HydrophobicContact CD1-CG2 4.43Å; Y107-I142 HydrophobicContact CD2-CG1 4.4Å; Y107-I142 HydrophobicContact CD2-CG2 4.29Å; Y107-I142 HydrophobicContact CE1-CG1 4.46Å; Y107-I142 HydrophobicContact CE1-CG2 4.37Å; Y107-I142 HydrophobicContact CE2-CG2 4.22Å; Y107-I142 HydrophobicContact CG-CG1 3.78Å; Y107-I142 HydrophobicContact CG-CG2 4.39Å; F137-I142 HydrophobicContact CB-CB 4.31Å; F137-I142 HydrophobicContact CB-CG2 3.99Å; F137-I142 WeakPolarHBondContact O-CB 3.42Å; F137-I142 VanDerWaalsContact O-CG2 3.28Å; F137-I142 WeakPolarHBondContact O-CG2 3.46Å; F137-I142 PolarHBondContact O-N 3.21Å; F137-I142 VanDerWaalsContact O-N 3.1Å; I142-L144 VanDerWaalsContact C-N 3.3Å; I142-L144 PolarHBondContact O-N 3.32Å; I142-Q149 PolarHBondContact O-NE2 3.36Å
143G94.1Very high97.1Very high75 Ų7555.9 Ų55.977%0.77329%0.29SS*.THydrogen-bonded Turntrans-80.1-3.617800000115G141G141-G143 PolarHBondContact O-N 3.3Å; G141-G143 VanDerWaalsContact O-N 3.12Å
144L96.2Very high97.1Very high31 Ų3159 Ų5916%0.16230%0.302CS..SBendtrans-80.6150.3-178-59.6179.5000112.2G141 I142 K148 Q149 L272 L273G141-L144 VanDerWaalsContact O-CB 3.25Å; G141-L144 WeakPolarHBondContact O-CB 3.47Å; G141-L144 WeakPolarHBondContact O-CG 3.21Å; G141-L144 PolarHBondContact O-N 3.14Å; I142-L144 VanDerWaalsContact C-N 3.3Å; I142-L144 PolarHBondContact O-N 3.32Å; L144-K148 HydrophobicContact CB-CB 3.97Å; L144-K148 HydrophobicContact CD1-CB 4.2Å; L144-Q149 HydrophobicContact CB-CG 3.94Å; L144-Q149 PolarHBondContact O-NE2 2.95Å; L144-L272 HydrophobicContact CD1-CB 4.43Å; L144-L272 WeakPolarHBondContact CD2-O 3.36Å; L144-L273 HydrophobicContact CD1-CD2 4.2Å
145P95.6Very high97.1Very high83 Ų8358.5 Ų58.554%0.53930%0.299SS..  trans-56.9151.1165.9-22.633000112E147 K148 Q149P145-E147 VanDerWaalsContact C-N 3.27Å; P145-E147 PolarHBondContact O-N 3.1Å; P145-E147 VanDerWaalsContact O-N 3.12Å; P145-K148 WeakPolarHBondContact O-CA 3.28Å; P145-K148 PolarHBondContact O-N 3.21Å; P145-Q149 PolarHBondContact O-N 3.34Å
146K94.9Very high97.1Very high128 Ų12856.6 Ų56.656%0.55730%0.297SS*.Hα-helixtrans-51.8-39.2-175.3-71.4-71.7169.3-153.60114.6E104 Q149 Q150E104-K146 VanDerWaalsContact OE1-CE 3.24Å; E104-K146 WeakPolarHBondContact OE1-CE 3.17Å; E104-K146 IonicContact OE1-NZ 3.53Å; E104-K146 PolarHBondContact OE1-NZ 3.37Å; K146-Q149 WeakPolarHBondContact O-CB 3.29Å; K146-Q149 PolarHBondContact O-N 2.87Å; K146-Q150 PolarHBondContact O-N 3.08Å
147E96.1Very high97.1Very high162 Ų16254.9 Ų54.976%0.75729%0.289SS*.Hα-helixtrans-62.7-42.1176.2-175.4-177.7176.800112.3P145 Q150 R151P145-E147 VanDerWaalsContact C-N 3.27Å; P145-E147 PolarHBondContact O-N 3.1Å; P145-E147 VanDerWaalsContact O-N 3.12Å; E147-Q150 PolarHBondContact O-N 3.4Å; E147-R151 PolarHBondContact O-N 3.04Å
148K97Very high97.1Very high99 Ų9957.8 Ų57.843%0.4330%0.3SS..Hα-helixtrans-73.9-31.3177-68.4-167.4-179.4-1740112.4L144 P145 R151 Y152 L272L144-K148 HydrophobicContact CB-CB 3.97Å; L144-K148 HydrophobicContact CD1-CB 4.2Å; P145-K148 WeakPolarHBondContact O-CA 3.28Å; P145-K148 PolarHBondContact O-N 3.21Å; K148-R151 PolarHBondContact O-N 2.92Å; K148-Y152 WeakPolarHBondContact O-CB 3.44Å; K148-Y152 PolarHBondContact O-N 3.34Å; K148-L272 HydrophobicContact CB-CD2 4.2Å; K148-L272 HydrophobicContact CD-CD2 3.99Å; K148-L272 HydrophobicContact CG-CD2 4.04Å
149Q97.1Very high97.1Very high9 Ų954 Ų544%0.04228%0.283CS..Hα-helixtrans-61.3-46.2170.6-78.9-173.8-15.200111.4Q102 G141 I142 L144 P145 K146 Y152 G153Q102-Q149 HydrophobicContact CG-CG 4.47Å; Q102-Q149 PolarHBondContact NE2-O 3.41Å; Q102-Q149 VanDerWaalsContact OE1-CB 3.32Å; Q102-Q149 PolarHBondContact OE1-O 2.72Å; G141-Q149 WeakPolarHBondContact O-CG 3.4Å; G141-Q149 PolarHBondContact O-NE2 2.98Å; I142-Q149 PolarHBondContact O-NE2 3.36Å; L144-Q149 HydrophobicContact CB-CG 3.94Å; L144-Q149 PolarHBondContact O-NE2 2.95Å; P145-Q149 PolarHBondContact O-N 3.34Å; K146-Q149 WeakPolarHBondContact O-CB 3.29Å; K146-Q149 PolarHBondContact O-N 2.87Å; Q149-Y152 WeakPolarHBondContact O-CB 3.34Å; Q149-Y152 PolarHBondContact O-N 3.4Å; Q149-G153 PolarHBondContact O-N 2.84Å; Q149-G153 VanDerWaalsContact O-N 3.09Å
150Q97.1Very high97.1Very high127 Ų12755.2 Ų55.259%0.59329%0.293SS*.Hα-helixtrans-59.4-48.1173.7-179.9-177.5-14.700111.1K146 E147 Y152 G153 E154K146-Q150 PolarHBondContact O-N 3.08Å; E147-Q150 PolarHBondContact O-N 3.4Å; Q150-Y152 VanDerWaalsContact C-N 3.3Å; Q150-Y152 PolarHBondContact O-N 2.8Å; Q150-G153 PolarHBondContact O-N 2.9Å; Q150-G153 VanDerWaalsContact O-N 3.09Å; Q150-E154 PolarHBondContact NE2-OE1 3.49Å; Q150-E154 VanDerWaalsContact NE2-OE1 3.12Å; Q150-E154 PolarHBondContact O-N 3.02Å
151R98.2Very high97.2Very high82 Ų8257.4 Ų57.431%0.30930%0.301SS..Hα-helixtrans-60.9-39.4178.4-176.457.9-176.9157.37.1112.5E147 K148 G153 E154 I155 E268 L272E147-R151 PolarHBondContact O-N 3.04Å; K148-R151 PolarHBondContact O-N 2.92Å; R151-G153 VanDerWaalsContact C-N 3.32Å; R151-G153 PolarHBondContact O-N 3.36Å; R151-E154 WeakPolarHBondContact CD-OE2 3.24Å; R151-E154 IonicContact NH1-OE2 2.81Å; R151-E154 PolarHBondContact NH1-OE2 3.46Å; R151-E154 PolarHBondContact O-N 3.43Å; R151-I155 HydrophobicContact CG-CD1 4.03Å; R151-I155 VanDerWaalsContact O-CG1 3.26Å; R151-I155 WeakPolarHBondContact O-CG1 3.32Å; R151-I155 PolarHBondContact O-N 3.24Å; R151-E268 IonicContact CZ-OE1 3.15Å; R151-E268 IonicContact CZ-OE2 2.85Å; R151-E268 IonicContact NE-OE1 3.37Å; R151-E268 PolarHBondContact NE-OE1 3.08Å; R151-E268 IonicContact NE-OE2 3.51Å; R151-E268 IonicContact NH2-OE1 3.86Å; R151-E268 PolarHBondContact NH2-OE1 3.25Å; R151-E268 IonicContact NH2-OE2 3.07Å; R151-E268 PolarHBondContact NH2-OE2 3.49Å; R151-L272 HydrophobicContact CB-CD1 4.38Å; R151-L272 HydrophobicContact CG-CD1 3.91Å
152Y98.3Very high97.3Very high26 Ų2657.3 Ų57.310%0.10230%0.3CS..Hα-helixtrans-55.7-48172.7177.5-77.7000111.1T98 L139 S140 K148 Q149 Q150 I155 A156 L269 L273T98-Y152 HydrophobicContact CG2-CD1 4.14Å; L139-Y152 WeakPolarHBondContact O-CE2 3.39Å; L139-Y152 PolarHBondContact O-OH 3.12Å; S140-Y152 WeakPolarHBondContact CA-OH 3.48Å; K148-Y152 WeakPolarHBondContact O-CB 3.44Å; K148-Y152 PolarHBondContact O-N 3.34Å; Q149-Y152 WeakPolarHBondContact O-CB 3.34Å; Q149-Y152 PolarHBondContact O-N 3.4Å; Q150-Y152 VanDerWaalsContact C-N 3.3Å; Q150-Y152 PolarHBondContact O-N 2.8Å; Y152-I155 PolarHBondContact O-N 2.85Å; Y152-A156 HydrophobicContact CE1-CB 4.29Å; Y152-A156 WeakPolarHBondContact O-CB 3.39Å; Y152-A156 PolarHBondContact O-N 3.39Å; Y152-L269 HydrophobicContact CD2-CD1 4.15Å; Y152-L269 HydrophobicContact CD2-CG 4.15Å; Y152-L269 HydrophobicContact CE2-CD1 3.92Å; Y152-L269 HydrophobicContact CE2-CD2 4.23Å; Y152-L269 HydrophobicContact CE2-CG 3.99Å; Y152-L273 HydrophobicContact CD2-CD2 4.16Å; Y152-L273 HydrophobicContact CD2-CG 4.48Å; Y152-L273 HydrophobicContact CE2-CD1 4.14Å; Y152-L273 HydrophobicContact CE2-CD2 4.02Å; Y152-L273 HydrophobicContact CE2-CG 4.29Å
153G97.7Very high97.3Very high11 Ų1157 Ų5711%0.11330%0.301CS..Hα-helixtrans-61.8-43.2178.900000113.5Q149 Q150 R151 I155 A156 T157Q149-G153 PolarHBondContact O-N 2.84Å; Q149-G153 VanDerWaalsContact O-N 3.09Å; Q150-G153 PolarHBondContact O-N 2.9Å; Q150-G153 VanDerWaalsContact O-N 3.09Å; R151-G153 VanDerWaalsContact C-N 3.32Å; R151-G153 PolarHBondContact O-N 3.36Å; G153-I155 VanDerWaalsContact C-N 3.31Å; G153-I155 PolarHBondContact O-N 2.97Å; G153-A156 PolarHBondContact O-N 3.3Å; G153-T157 PolarHBondContact O-N 2.9Å; G153-T157 PolarHBondContact O-OG1 2.99Å
154E98.3Very high97.5Very high87 Ų8754.3 Ų54.341%0.40727%0.269SS..Hα-helixtrans-58.7-44174.7-69.2169.9-172.300111.5Q150 R151 R158Q150-E154 PolarHBondContact NE2-OE1 3.49Å; Q150-E154 VanDerWaalsContact NE2-OE1 3.12Å; Q150-E154 PolarHBondContact O-N 3.02Å; R151-E154 WeakPolarHBondContact CD-OE2 3.24Å; R151-E154 IonicContact NH1-OE2 2.81Å; R151-E154 PolarHBondContact NH1-OE2 3.46Å; R151-E154 PolarHBondContact O-N 3.43Å; E154-R158 VanDerWaalsContact O-CB 3.28Å; E154-R158 WeakPolarHBondContact O-CB 3.38Å; E154-R158 PolarHBondContact O-N 2.99Å
155I98.3Very high97.6Very high0 Ų056.4 Ų56.40%028%0.278CS..Hα-helixtrans-66.4-46.1178.1-64.6166.5000111.1R151 Y152 G153 T157 R158 L159 L265 E268 L269 L272R151-I155 HydrophobicContact CG-CD1 4.03Å; R151-I155 VanDerWaalsContact O-CG1 3.26Å; R151-I155 WeakPolarHBondContact O-CG1 3.32Å; R151-I155 PolarHBondContact O-N 3.24Å; Y152-I155 PolarHBondContact O-N 2.85Å; G153-I155 VanDerWaalsContact C-N 3.31Å; G153-I155 PolarHBondContact O-N 2.97Å; I155-T157 PolarHBondContact O-N 2.85Å; I155-R158 PolarHBondContact O-N 3.46Å; I155-L159 HydrophobicContact CG2-CD1 3.72Å; I155-L159 HydrophobicContact CG2-CG 4.09Å; I155-L159 WeakPolarHBondContact O-CB 3.46Å; I155-L159 VanDerWaalsContact O-CG 3.3Å; I155-L159 WeakPolarHBondContact O-CG 3.39Å; I155-L159 PolarHBondContact O-N 2.87Å; I155-L265 HydrophobicContact CB-CD2 4.38Å; I155-L265 HydrophobicContact CG1-CD2 3.87Å; I155-L265 HydrophobicContact CG2-CB 3.87Å; I155-L265 HydrophobicContact CG2-CD2 4.07Å; I155-L265 HydrophobicContact CG2-CG 4.45Å; I155-E268 HydrophobicContact CD1-CB 4.22Å; I155-E268 HydrophobicContact CD1-CG 3.84Å; I155-L269 HydrophobicContact CB-CD1 4.36Å; I155-L269 HydrophobicContact CG2-CB 3.96Å; I155-L269 HydrophobicContact CG2-CD1 3.78Å; I155-L269 HydrophobicContact CG2-CG 4.49Å; I155-L272 HydrophobicContact CD1-CD1 3.5Å
156A97.5Very high97.7Very high25 Ų2552.5 Ų52.521%0.20725%0.252CS..Hα-helixtrans-59.1-47.7-179.400000111.6Y152 G153 L159 S160Y152-A156 HydrophobicContact CE1-CB 4.29Å; Y152-A156 WeakPolarHBondContact O-CB 3.39Å; Y152-A156 PolarHBondContact O-N 3.39Å; G153-A156 PolarHBondContact O-N 3.3Å; A156-L159 PolarHBondContact O-N 3.48Å; A156-S160 PolarHBondContact O-N 2.58Å; A156-S160 VanDerWaalsContact O-N 3.09Å
157T98.1Very high97.8Very high28 Ų2847.4 Ų47.417%0.17223%0.233CC..Hα-helixtrans-59-48.6174.4-62.70000111.4P91 S94 G153 I155 L159 S160 E161P91-T157 HydrophobicContact CB-CG2 4.09Å; S94-T157 WeakPolarHBondContact CB-OG1 3.49Å; G153-T157 PolarHBondContact O-N 2.9Å; G153-T157 PolarHBondContact O-OG1 2.99Å; I155-T157 PolarHBondContact O-N 2.85Å; T157-L159 VanDerWaalsContact C-N 3.33Å; T157-L159 PolarHBondContact O-N 3.04Å; T157-S160 WeakPolarHBondContact O-CB 3.47Å; T157-S160 PolarHBondContact O-N 2.99Å; T157-S160 VanDerWaalsContact O-N 3.14Å; T157-E161 WeakPolarHBondContact O-CG 3.28Å; T157-E161 PolarHBondContact O-N 3.18Å
158R98.3Very high97.9Very high75 Ų7540.1 Ų40.128%0.28320%0.199SC..Hα-helixtrans-63.9-37.9-178.4-173.757.3179.9153.47.8112.5E154 I155 E161 L162 E261 L265E154-R158 VanDerWaalsContact O-CB 3.28Å; E154-R158 WeakPolarHBondContact O-CB 3.38Å; E154-R158 PolarHBondContact O-N 2.99Å; I155-R158 PolarHBondContact O-N 3.46Å; R158-E161 WeakPolarHBondContact CD-OE2 3.34Å; R158-E161 IonicContact NH1-OE2 2.74Å; R158-E161 PolarHBondContact NH1-OE2 3.4Å; R158-E161 PolarHBondContact O-N 3.37Å; R158-L162 HydrophobicContact CG-CD1 3.85Å; R158-L162 HydrophobicContact CG-CG 4.35Å; R158-L162 WeakPolarHBondContact O-CB 3.33Å; R158-L162 WeakPolarHBondContact O-CD1 3.34Å; R158-L162 WeakPolarHBondContact O-CG 3.13Å; R158-L162 PolarHBondContact O-N 2.83Å; R158-E261 WeakPolarHBondContact CG-OE1 3.45Å; R158-E261 IonicContact CZ-OE1 3.63Å; R158-E261 IonicContact CZ-OE2 2.85Å; R158-E261 IonicContact NE-OE1 3.59Å; R158-E261 PolarHBondContact NE-OE1 2.85Å; R158-E261 IonicContact NE-OE2 3.69Å; R158-E261 IonicContact NH2-OE1 3.65Å; R158-E261 PolarHBondContact NH2-OE1 3.35Å; R158-E261 IonicContact NH2-OE2 3.58Å; R158-E261 PolarHBondContact NH2-OE2 3.14Å; R158-L265 HydrophobicContact CB-CD1 3.99Å; R158-L265 HydrophobicContact CG-CD1 3.52Å
159L98.2Very high97.9Very high32 Ų3236.4 Ų36.417%0.16818%0.184CC..Hα-helixtrans-63.4-39.6174.4-75.3172.6000112.1I155 A156 T157 G163 I262 L265 R266 L269I155-L159 HydrophobicContact CG2-CD1 3.72Å; I155-L159 HydrophobicContact CG2-CG 4.09Å; I155-L159 WeakPolarHBondContact O-CB 3.46Å; I155-L159 VanDerWaalsContact O-CG 3.3Å; I155-L159 WeakPolarHBondContact O-CG 3.39Å; I155-L159 PolarHBondContact O-N 2.87Å; A156-L159 PolarHBondContact O-N 3.48Å; T157-L159 VanDerWaalsContact C-N 3.33Å; T157-L159 PolarHBondContact O-N 3.04Å; L159-G163 PolarHBondContact O-N 3.04Å; L159-I262 HydrophobicContact CD2-CB 4.38Å; L159-I262 HydrophobicContact CD2-CG1 4.37Å; L159-I262 HydrophobicContact CD2-CG2 4.17Å; L159-L265 HydrophobicContact CD2-CB 3.78Å; L159-L265 HydrophobicContact CD2-CD1 4.26Å; L159-L265 HydrophobicContact CG-CB 4.11Å; L159-L265 HydrophobicContact CG-CD1 4.4Å; L159-R266 HydrophobicContact CD1-CG 4.3Å; L159-R266 HydrophobicContact CD2-CG 4.03Å; L159-L269 HydrophobicContact CD1-CD1 4.29Å
160S97.7Very high98Very high41 Ų4136.5 Ų36.529%0.28719%0.186SC..Hα-helixtrans-63.3-44.8175.6-173.30000111.8S94 A156 T157 N164S94-S160 WeakPolarHBondContact OG-CB 3.45Å; A156-S160 PolarHBondContact O-N 2.58Å; A156-S160 VanDerWaalsContact O-N 3.09Å; T157-S160 WeakPolarHBondContact O-CB 3.47Å; T157-S160 PolarHBondContact O-N 2.99Å; T157-S160 VanDerWaalsContact O-N 3.14Å; S160-N164 PolarHBondContact O-N 2.94Å; S160-N164 VanDerWaalsContact O-N 3.13Å
161E98Very high98Very high65 Ų6531.1 Ų31.130%0.30416%0.161SC..Hα-helixtrans-62.9-47.2176.9-68.3172.9170.300111.8T157 R158 G163 N164 Q165T157-E161 WeakPolarHBondContact O-CG 3.28Å; T157-E161 PolarHBondContact O-N 3.18Å; R158-E161 WeakPolarHBondContact CD-OE2 3.34Å; R158-E161 IonicContact NH1-OE2 2.74Å; R158-E161 PolarHBondContact NH1-OE2 3.4Å; R158-E161 PolarHBondContact O-N 3.37Å; E161-G163 PolarHBondContact O-N 3.37Å; E161-N164 PolarHBondContact O-N 3.4Å; E161-Q165 WeakPolarHBondContact O-CB 3.4Å; E161-Q165 PolarHBondContact O-N 3.38Å
162L98.5Very high97.9Very high0 Ų028.7 Ų28.70%015%0.154CC..Hα-helixtrans-63.6-40.5-180-73.8166.8000112R158 Q165 Y166 V258 E261 I262 L265R158-L162 HydrophobicContact CG-CD1 3.85Å; R158-L162 HydrophobicContact CG-CG 4.35Å; R158-L162 WeakPolarHBondContact O-CB 3.33Å; R158-L162 WeakPolarHBondContact O-CD1 3.34Å; R158-L162 WeakPolarHBondContact O-CG 3.13Å; R158-L162 PolarHBondContact O-N 2.83Å; L162-Q165 PolarHBondContact O-N 3.25Å; L162-Y166 WeakPolarHBondContact O-CB 3.36Å; L162-Y166 PolarHBondContact O-N 3.38Å; L162-V258 HydrophobicContact CB-CG1 4.19Å; L162-V258 HydrophobicContact CD2-CB 4.35Å; L162-V258 HydrophobicContact CD2-CG1 3.91Å; L162-V258 HydrophobicContact CD2-CG2 4.41Å; L162-V258 WeakPolarHBondContact O-CG1 3.46Å; L162-E261 HydrophobicContact CD1-CB 3.93Å; L162-E261 HydrophobicContact CD1-CG 3.72Å; L162-E261 HydrophobicContact CD2-CB 4.42Å; L162-I262 HydrophobicContact CB-CD1 3.94Å; L162-I262 HydrophobicContact CB-CG1 3.63Å; L162-I262 HydrophobicContact CD1-CG1 3.94Å; L162-I262 HydrophobicContact CG-CG1 4.35Å; L162-L265 HydrophobicContact CD1-CD1 3.67Å
163G98.1Very high97.9Very high12 Ų1227.6 Ų27.612%0.12415%0.15CC..Hα-helixtrans-63.3-42.417600000112.3L159 E161 Y166 S167 F593 A594L159-G163 PolarHBondContact O-N 3.04Å; E161-G163 PolarHBondContact O-N 3.37Å; G163-Y166 PolarHBondContact O-N 3.36Å; G163-S167 PolarHBondContact O-N 3.4Å; G163-F593 WeakPolarHBondContact CA-O 3.31Å; G163-A594 VanDerWaalsContact O-CB 3.29Å; G163-A594 WeakPolarHBondContact O-CB 3.22Å
164N97.5Very high97.9Very high17 Ų1727.5 Ų27.59%0.09115%0.148CC..Hα-helixtrans-65.5-45.1174177.872.1000112Y86 E87 L90 S160 E161 Y166 S167 N168Y86-N164 WeakPolarHBondContact CE1-OD1 3.28Å; E87-N164 WeakPolarHBondContact CG-ND2 2.99Å; E87-N164 PolarHBondContact OE1-ND2 3.21Å; E87-N164 VanDerWaalsContact OE1-ND2 3.13Å; L90-N164 HydrophobicContact CD1-CB 3.46Å; L90-N164 VanDerWaalsContact CD1-CB 3.46Å; S160-N164 PolarHBondContact O-N 2.94Å; S160-N164 VanDerWaalsContact O-N 3.13Å; E161-N164 PolarHBondContact O-N 3.4Å; N164-Y166 VanDerWaalsContact C-N 3.3Å; N164-Y166 PolarHBondContact O-N 2.89Å; N164-S167 PolarHBondContact O-N 3.2Å; N164-N168 PolarHBondContact ND2-ND2 2.94Å; N164-N168 PolarHBondContact O-N 3.46Å
165Q98.1Very high97.8Very high76 Ų7626 Ų2636%0.35514%0.141SC..Hα-helixtrans-57.4-44.5175.7-177.3-1782.500111.3E161 L162 S167 N168 N169 V258E161-Q165 WeakPolarHBondContact O-CB 3.4Å; E161-Q165 PolarHBondContact O-N 3.38Å; L162-Q165 PolarHBondContact O-N 3.25Å; Q165-S167 PolarHBondContact O-N 3.3Å; Q165-N168 PolarHBondContact O-N 3.29Å; Q165-N169 WeakPolarHBondContact O-CB 3.39Å; Q165-N169 VanDerWaalsContact O-CG 3.25Å; Q165-N169 PolarHBondContact O-N 2.91Å; Q165-N169 PolarHBondContact O-ND2 3.16Å; Q165-V258 HydrophobicContact CG-CG2 4.25Å
166Y98.5Very high97.7Very high0 Ų027.6 Ų27.60%016%0.158CC..Hα-helixtrans-57.3-50.1176-176.5-77000111.2L162 G163 N164 N168 N169 V170 N255 V258 M259 P586 H587 A588 F589 F593 A594L162-Y166 WeakPolarHBondContact O-CB 3.36Å; L162-Y166 PolarHBondContact O-N 3.38Å; G163-Y166 PolarHBondContact O-N 3.36Å; N164-Y166 VanDerWaalsContact C-N 3.3Å; N164-Y166 PolarHBondContact O-N 2.89Å; Y166-N168 PolarHBondContact O-N 3.32Å; Y166-N169 PolarHBondContact O-N 3.46Å; Y166-V170 HydrophobicContact CD1-CG2 4.03Å; Y166-V170 HydrophobicContact CE1-CG2 3.68Å; Y166-V170 WeakPolarHBondContact O-CG2 3.36Å; Y166-V170 PolarHBondContact O-N 2.88Å; Y166-N255 WeakPolarHBondContact CA-OD1 3.23Å; Y166-N255 HydrophobicContact CD2-CB 3.82Å; Y166-N255 VanDerWaalsContact CD2-CG 3.41Å; Y166-N255 VanDerWaalsContact CD2-ND2 3.29Å; Y166-N255 WeakPolarHBondContact CD2-ND2 3.35Å; Y166-N255 HydrophobicContact CE2-CB 3.87Å; Y166-N255 WeakPolarHBondContact CE2-ND2 3.48Å; Y166-N255 PolarHBondContact O-ND2 3.3Å; Y166-V258 HydrophobicContact CD2-CG1 4.31Å; Y166-M259 HydrophobicContact CD2-CG 4.14Å; Y166-M259 HydrophobicContact CE2-CG 3.76Å; Y166-M259 HydrophobicContact CE2-SD 4.01Å; Y166-P586 PolarHBondContact OH-O 2.88Å; Y166-H587 VanDerWaalsContact CZ-O 3.27Å; Y166-H587 PolarHBondContact OH-O 3.4Å; Y166-A588 VanDerWaalsContact OH-C 3.29Å; Y166-A588 WeakPolarHBondContact OH-CA 3.34Å; Y166-A588 PolarHBondContact OH-N 3.49Å; Y166-A588 VanDerWaalsContact OH-N 3.16Å; Y166-F589 WeakPolarHBondContact OH-CA 3.23Å; Y166-F589 PolarHBondContact OH-N 3.02Å; Y166-F593 HydrophobicContact CD1-CB 4Å; Y166-F593 HydrophobicContact CD2-CB 3.48Å; Y166-F593 VanDerWaalsContact CD2-CB 3.48Å; Y166-F593 HydrophobicContact CD2-CG 4.17Å; Y166-F593 HydrophobicContact CE1-CB 3.93Å; Y166-F593 HydrophobicContact CE2-CB 3.37Å; Y166-F593 AromaticContact CE2-CD2 3.89Å; Y166-F593 HydrophobicContact CE2-CD2 3.89Å; Y166-F593 AromaticContact CE2-CG 3.73Å; Y166-F593 HydrophobicContact CE2-CG 3.73Å; Y166-F593 HydrophobicContact CG-CB 3.78Å; Y166-F593 AromaticContact CZ-CD2 3.99Å; Y166-A594 HydrophobicContact CD1-CB 3.73Å; Y166-A594 HydrophobicContact CE1-CB 4.5Å; Y166-A594 HydrophobicContact CG-CB 4.42Å
167S97.2Very high97.8Very high22 Ų2227.3 Ų27.315%0.15415%0.151CC..Hα-helixtrans-59.6-45.6179.3-173.80000111.9G163 N164 Q165 V170 L171G163-S167 PolarHBondContact O-N 3.4Å; N164-S167 PolarHBondContact O-N 3.2Å; Q165-S167 PolarHBondContact O-N 3.3Å; S167-V170 PolarHBondContact O-N 3.09Å; S167-L171 PolarHBondContact O-N 3.14Å
168N97.4Very high97.8Very high8 Ų829.2 Ų29.24%0.04316%0.163CC..Hα-helixtrans-62.4-44.4178.1-74-18.2000111.6R83 E87 N164 Q165 Y166 V170 L171 D172R83-N168 WeakPolarHBondContact CD-ND2 3.41Å; E87-N168 PolarHBondContact OE1-ND2 2.75Å; N164-N168 PolarHBondContact ND2-ND2 2.94Å; N164-N168 PolarHBondContact O-N 3.46Å; Q165-N168 PolarHBondContact O-N 3.29Å; Y166-N168 PolarHBondContact O-N 3.32Å; N168-V170 VanDerWaalsContact C-N 3.31Å; N168-V170 PolarHBondContact O-N 2.89Å; N168-L171 PolarHBondContact O-N 3.12Å; N168-D172 WeakPolarHBondContact O-CB 3.44Å; N168-D172 PolarHBondContact O-N 3.27Å
169N98.3Very high97.8Very high21 Ų2128.2 Ų28.211%0.11216%0.16CC..Hα-helixtrans-59.5-39.8175.9-77.5-16.2000112.5Q165 Y166 A173 A243 W253 N255Q165-N169 WeakPolarHBondContact O-CB 3.39Å; Q165-N169 VanDerWaalsContact O-CG 3.25Å; Q165-N169 PolarHBondContact O-N 2.91Å; Q165-N169 PolarHBondContact O-ND2 3.16Å; Y166-N169 PolarHBondContact O-N 3.46Å; N169-A173 WeakPolarHBondContact O-CB 3Å; N169-A173 PolarHBondContact O-N 3.15Å; N169-A243 HydrophobicContact CB-CB 4.13Å; N169-W253 HydrophobicContact CB-CB 4Å; N169-W253 WeakPolarHBondContact CB-O 3.3Å; N169-N255 WeakPolarHBondContact CB-OD1 3.25Å; N169-N255 PolarHBondContact ND2-OD1 3.14Å
170V98.1Very high97.8Very high12 Ų1229.9 Ų29.97%0.07317%0.169CC..Hα-helixtrans-67.5-44.7176.7175.40000111.4Y166 S167 N168 A173 T174 A243 A588Y166-V170 HydrophobicContact CD1-CG2 4.03Å; Y166-V170 HydrophobicContact CE1-CG2 3.68Å; Y166-V170 WeakPolarHBondContact O-CG2 3.36Å; Y166-V170 PolarHBondContact O-N 2.88Å; S167-V170 PolarHBondContact O-N 3.09Å; N168-V170 VanDerWaalsContact C-N 3.31Å; N168-V170 PolarHBondContact O-N 2.89Å; V170-A173 PolarHBondContact O-N 3.46Å; V170-T174 WeakPolarHBondContact O-CB 3.26Å; V170-T174 PolarHBondContact O-N 2.71Å; V170-T174 PolarHBondContact O-OG1 3.07Å; V170-A243 HydrophobicContact CG2-CB 4.16Å; V170-A588 HydrophobicContact CG1-CB 4.09Å; V170-A588 HydrophobicContact CG2-CB 4.03Å
171L96.8Very high97.8Very high14 Ų1428 Ų287%0.07316%0.156CC..Hα-helixtrans-61.1-49.2177.117958.6000110.8N78 S167 N168 A173 T174 M175N78-L171 HydrophobicContact CB-CD2 3.89Å; S167-L171 PolarHBondContact O-N 3.14Å; N168-L171 PolarHBondContact O-N 3.12Å; L171-A173 PolarHBondContact O-N 3.1Å; L171-T174 WeakPolarHBondContact O-CB 3.49Å; L171-T174 PolarHBondContact O-N 2.81Å; L171-T174 VanDerWaalsContact O-N 3.12Å; L171-M175 HydrophobicContact CD1-CE 4.34Å; L171-M175 HydrophobicContact CD1-CG 4.34Å; L171-M175 HydrophobicContact CD1-SD 4.18Å; L171-M175 HydrophobicContact CG-CE 3.89Å; L171-M175 HydrophobicContact CG-SD 4.37Å; L171-M175 WeakPolarHBondContact O-CG 3.28Å; L171-M175 PolarHBondContact O-N 3.4Å
172D97.7Very high97.8Very high30 Ų3030.2 Ų30.216%0.1617%0.174CC..Hα-helixtrans-66.2-37.8-179.5-65.9-13.9000112R83 N168 T174 M175 G176 W253R83-D172 IonicContact CZ-OD1 2.88Å; R83-D172 IonicContact CZ-OD2 3.7Å; R83-D172 IonicContact NH1-OD1 3.78Å; R83-D172 PolarHBondContact NH1-OD1 3.17Å; R83-D172 IonicContact NH1-OD2 2.67Å; R83-D172 PolarHBondContact NH1-OD2 3.02Å; R83-D172 IonicContact NH2-OD1 2.71Å; R83-D172 PolarHBondContact NH2-OD1 3.46Å; R83-D172 IonicContact NH2-OD2 3.69Å; N168-D172 WeakPolarHBondContact O-CB 3.44Å; N168-D172 PolarHBondContact O-N 3.27Å; D172-T174 VanDerWaalsContact C-N 3.28Å; D172-T174 PolarHBondContact O-N 3.19Å; D172-M175 PolarHBondContact O-N 2.96Å; D172-G176 VanDerWaalsContact O-CA 3.31Å; D172-G176 WeakPolarHBondContact O-CA 3.31Å; D172-G176 PolarHBondContact O-N 3.49Å; D172-W253 HydrophobicContact CB-CD2 4.1Å; D172-W253 HydrophobicContact CB-CG 4.17Å; D172-W253 HydrophobicContact CB-CZ2 4.05Å; D172-W253 WeakPolarHBondContact O-CH2 3.49Å
173A98Very high97.8Very high4 Ų434.3 Ų34.33%0.03320%0.196CC..Hα-helixtrans-66.8-29.9173.700000113N169 V170 L171 R242 A243 W253N169-A173 WeakPolarHBondContact O-CB 3Å; N169-A173 PolarHBondContact O-N 3.15Å; V170-A173 PolarHBondContact O-N 3.46Å; L171-A173 PolarHBondContact O-N 3.1Å; A173-R242 HydrophobicContact CB-CB 3.99Å; A173-R242 HydrophobicContact CB-CG 4.32Å; A173-A243 HydrophobicContact CB-CB 4.15Å; A173-A243 VanDerWaalsContact CB-N 3.28Å; A173-W253 HydrophobicContact CB-CB 4.5Å; A173-W253 HydrophobicContact CB-CE3 3.94Å
174T97.5Very high97.7Very high9 Ų939 Ų396%0.05521%0.214CC..Hα-helixtrans-71.3-49.1175.3-55.50000110.6V170 L171 D172 G176 L214 R242V170-T174 WeakPolarHBondContact O-CB 3.26Å; V170-T174 PolarHBondContact O-N 2.71Å; V170-T174 PolarHBondContact O-OG1 3.07Å; L171-T174 WeakPolarHBondContact O-CB 3.49Å; L171-T174 PolarHBondContact O-N 2.81Å; L171-T174 VanDerWaalsContact O-N 3.12Å; D172-T174 VanDerWaalsContact C-N 3.28Å; D172-T174 PolarHBondContact O-N 3.19Å; T174-G176 VanDerWaalsContact C-N 3.3Å; T174-G176 PolarHBondContact O-N 3.5Å; T174-L214 HydrophobicContact CG2-CB 3.84Å; T174-R242 WeakPolarHBondContact OG1-CD 3.23Å; T174-R242 PolarHBondContact OG1-NH1 2.82Å
175M96.1Very high97.7Very high56 Ų5641.4 Ų41.428%0.27624%0.237SC..Hα-helixtrans-71.1-26.9177.9-63.1-174.1-56.200112.7L171 D172 W177L171-M175 HydrophobicContact CD1-CE 4.34Å; L171-M175 HydrophobicContact CD1-CG 4.34Å; L171-M175 HydrophobicContact CD1-SD 4.18Å; L171-M175 HydrophobicContact CG-CE 3.89Å; L171-M175 HydrophobicContact CG-SD 4.37Å; L171-M175 WeakPolarHBondContact O-CG 3.28Å; L171-M175 PolarHBondContact O-N 3.4Å; D172-M175 PolarHBondContact O-N 2.96Å; M175-W177 PolarHBondContact O-N 2.79Å
176G96.8Very high97.7Very high33 Ų3341.6 Ų41.634%0.3424%0.238SC..THydrogen-bonded Turntrans-75.71.6-176.100000115.5D172 T174 N249D172-G176 VanDerWaalsContact O-CA 3.31Å; D172-G176 WeakPolarHBondContact O-CA 3.31Å; D172-G176 PolarHBondContact O-N 3.49Å; T174-G176 VanDerWaalsContact C-N 3.3Å; T174-G176 PolarHBondContact O-N 3.5Å; G176-N249 PolarHBondContact O-ND2 3.31Å
177W98.1Very high97.7Very high19 Ų1941.8 Ų41.87%0.07224%0.239CC..  trans-127.6131.1176.2-174.292.9000110.2M175 K179 L214 E234 M235 A238 P248M175-W177 PolarHBondContact O-N 2.79Å; W177-K179 HydrophobicContact CH2-CB 3.37Å; W177-K179 HydrophobicContact CH2-CG 4.45Å; W177-K179 HydrophobicContact CZ2-CB 3.83Å; W177-K179 HydrophobicContact CZ3-CB 4.03Å; W177-L214 HydrophobicContact CB-CD1 3.73Å; W177-L214 HydrophobicContact CB-CG 4.07Å; W177-L214 HydrophobicContact CD2-CD1 4.4Å; W177-L214 HydrophobicContact CD2-CD2 3.99Å; W177-L214 HydrophobicContact CD2-CG 4.09Å; W177-L214 HydrophobicContact CE3-CD1 4.45Å; W177-L214 HydrophobicContact CE3-CD2 3.53Å; W177-L214 HydrophobicContact CE3-CG 3.66Å; W177-L214 HydrophobicContact CG-CD1 4.13Å; W177-L214 HydrophobicContact CG-CG 4.29Å; W177-L214 HydrophobicContact CZ3-CD2 3.96Å; W177-L214 HydrophobicContact CZ3-CG 4.49Å; W177-E234 HydrophobicContact CZ2-CG 4.34Å; W177-M235 HydrophobicContact CH2-CE 4.3Å; W177-M235 HydrophobicContact CH2-CG 3.5Å; W177-M235 VanDerWaalsContact CH2-CG 3.5Å; W177-M235 HydrophobicContact CH2-SD 4.17Å; W177-M235 HydrophobicContact CZ2-CG 4.21Å; W177-M235 HydrophobicContact CZ3-CE 4.05Å; W177-M235 HydrophobicContact CZ3-CG 4.17Å; W177-M235 HydrophobicContact CZ3-SD 4.49Å; W177-A238 HydrophobicContact CD2-CB 3.92Å; W177-A238 HydrophobicContact CG-CB 4.01Å; W177-A238 HydrophobicContact CZ2-CB 4.23Å; W177-P248 VanDerWaalsContact CD1-CG 3.46Å
178T98.1Very high97.7Very high67 Ų6742.9 Ų42.941%0.41125%0.249SC..EExtended strand (participates in β ladder)trans-144.9149.5172.262.80000109.7L212 T213T178-L212 CarbonylContact C-O 3.51Å; T178-L212 VanDerWaalsContact CA-O 3.24Å; T178-L212 WeakPolarHBondContact CA-O 3.32Å; T178-T213 HydrophobicContact CG2-CG2 4.14Å
179K98.3Very high97.7Very high55 Ų5544.6 Ų44.624%0.23927%0.269CS..EExtended strand (participates in β ladder)trans-123.7115.4170.2177.170.4169.2-138.70109.4W177 V181 L212 L231 E234W177-K179 HydrophobicContact CH2-CB 3.37Å; W177-K179 HydrophobicContact CH2-CG 4.45Å; W177-K179 HydrophobicContact CZ2-CB 3.83Å; W177-K179 HydrophobicContact CZ3-CB 4.03Å; K179-V181 HydrophobicContact CG-CG2 3.85Å; K179-L212 HydrophobicContact CB-CB 4.35Å; K179-L212 PolarHBondContact N-O 3.06Å; K179-L212 PolarHBondContact O-N 2.88Å; K179-L231 HydrophobicContact CG-CD1 4.18Å; K179-E234 IonicContact NZ-OE1 3.14Å; K179-E234 PolarHBondContact NZ-OE1 2.84Å; K179-E234 VanDerWaalsContact NZ-OE1 3.14Å; K179-E234 IonicContact NZ-OE2 2.77Å; K179-E234 PolarHBondContact NZ-OE2 2.87Å
180L98.6Very high97.6Very high67 Ų6744.4 Ų44.435%0.35127%0.267SS..EExtended strand (participates in β ladder)trans-84.6125.3168.8-174.868.2000108.7T182 A202 L207 Y210 L211L180-T182 HydrophobicContact CD2-CG2 4.35Å; L180-T182 HydrophobicContact CG-CG2 4.34Å; L180-A202 HydrophobicContact CD1-CB 4.29Å; L180-L207 HydrophobicContact CD1-CB 4.12Å; L180-L207 HydrophobicContact CD1-CD1 4.36Å; L180-L207 HydrophobicContact CD2-CB 4.45Å; L180-Y210 WeakPolarHBondContact CA-O 3.39Å; L180-L211 HydrophobicContact CB-CD1 4.09Å; L180-L211 HydrophobicContact CD1-CD1 4.18Å
181V98.6Very high97.4Very high2 Ų244.4 Ų44.41%0.01227%0.268CS..EExtended strand (participates in β ladder)trans-116.6119.4175.1-1760000108K179 D183 E186 L187 Y210 L212K179-V181 HydrophobicContact CG-CG2 3.85Å; V181-D183 WeakPolarHBondContact CG1-O 3.4Å; V181-E186 HydrophobicContact CG1-CB 3.83Å; V181-L187 HydrophobicContact CB-CD1 4.28Å; V181-L187 HydrophobicContact CB-CD2 4.34Å; V181-L187 HydrophobicContact CB-CG 4.38Å; V181-L187 HydrophobicContact CG1-CD1 4.2Å; V181-L187 HydrophobicContact CG1-CD2 4.17Å; V181-L187 HydrophobicContact CG1-CG 3.92Å; V181-L187 HydrophobicContact CG2-CD2 4.2Å; V181-Y210 PolarHBondContact N-O 2.96Å; V181-Y210 WeakPolarHBondContact O-CD2 3.04Å; V181-Y210 PolarHBondContact O-N 3.02Å; V181-L212 HydrophobicContact CG2-CD1 4.08Å
182T98Very high97.1Very high111 Ų11150.2 Ų50.268%0.68129%0.294SS*.  trans-101.3-19.4-179.156.20000113L180L180-T182 HydrophobicContact CD2-CG2 4.35Å; L180-T182 HydrophobicContact CG-CG2 4.34Å
183D97.4Very high96.8Very high85 Ų8551 Ų5146%0.45530%0.302SS..  trans-96.8108.8172.5-1752.6000109.7V181 A185 E186V181-D183 WeakPolarHBondContact CG1-O 3.4Å; D183-A185 PolarHBondContact O-N 2.77Å; D183-A185 VanDerWaalsContact O-N 3.17Å; D183-A185 VanDerWaalsContact OD1-CB 3.27Å; D183-A185 WeakPolarHBondContact OD1-CB 3.18Å; D183-A185 PolarHBondContact OD1-N 3.37Å; D183-E186 HydrophobicContact CB-CG 4.33Å; D183-E186 WeakPolarHBondContact O-CB 3.48Å; D183-E186 PolarHBondContact O-N 3.41Å
184E96.4Very high96.5Very high110 Ų11051.2 Ų51.251%0.51430%0.304SS..G310 helixtrans-59.5-24.6177.9-170.3172.7151.300112.6E186 L187 Y210E184-E186 PolarHBondContact O-N 2.89Å; E184-L187 PolarHBondContact O-N 2.83Å; E184-Y210 HydrophobicContact CB-CE2 3.94Å; E184-Y210 VanDerWaalsContact CD-OH 3.23Å; E184-Y210 HydrophobicContact CG-CE2 4.04Å; E184-Y210 PolarHBondContact OE2-OH 3.13Å
185A97.5Very high96.5Very high69 Ų6952.1 Ų52.157%0.5731%0.308SS*.G310 helixtrans-63.4-26176.300000112.7D183 L187 A188D183-A185 PolarHBondContact O-N 2.77Å; D183-A185 VanDerWaalsContact O-N 3.17Å; D183-A185 VanDerWaalsContact OD1-CB 3.27Å; D183-A185 WeakPolarHBondContact OD1-CB 3.18Å; D183-A185 PolarHBondContact OD1-N 3.37Å; A185-L187 PolarHBondContact O-N 2.94Å; A185-A188 PolarHBondContact O-N 3.17Å
186E98Very high96.4Very high80 Ų8050.3 Ų50.337%0.37430%0.302SS..G310 helixtrans-70.9-14.2173.9-69.6-170.2-137.600113.2V181 D183 E184 N228V181-E186 HydrophobicContact CG1-CB 3.83Å; D183-E186 HydrophobicContact CB-CG 4.33Å; D183-E186 WeakPolarHBondContact O-CB 3.48Å; D183-E186 PolarHBondContact O-N 3.41Å; E184-E186 PolarHBondContact O-N 2.89Å; E186-N228 VanDerWaalsContact O-CB 3.23Å; E186-N228 WeakPolarHBondContact O-CB 3.41Å; E186-N228 PolarHBondContact O-ND2 2.93Å
187L98.5Very high96.2Very high4 Ų449.7 Ų49.72%0.02129%0.294CS..G310 helixtrans-106.217.4179.2-56.9177.8000112.4V181 E184 A185 G189 M190 L195 Y210 L212 L231V181-L187 HydrophobicContact CB-CD1 4.28Å; V181-L187 HydrophobicContact CB-CD2 4.34Å; V181-L187 HydrophobicContact CB-CG 4.38Å; V181-L187 HydrophobicContact CG1-CD1 4.2Å; V181-L187 HydrophobicContact CG1-CD2 4.17Å; V181-L187 HydrophobicContact CG1-CG 3.92Å; V181-L187 HydrophobicContact CG2-CD2 4.2Å; E184-L187 PolarHBondContact O-N 2.83Å; A185-L187 PolarHBondContact O-N 2.94Å; L187-G189 PolarHBondContact O-N 2.84Å; L187-M190 HydrophobicContact CB-CG 4.08Å; L187-M190 VanDerWaalsContact O-CB 3.22Å; L187-M190 WeakPolarHBondContact O-CB 3.36Å; L187-M190 WeakPolarHBondContact O-CG 3.32Å; L187-M190 PolarHBondContact O-N 2.83Å; L187-M190 VanDerWaalsContact O-N 3.11Å; L187-L195 HydrophobicContact CB-CD2 3.75Å; L187-L195 HydrophobicContact CD1-CD2 3.68Å; L187-L195 HydrophobicContact CG-CD2 4.35Å; L187-Y210 HydrophobicContact CD1-CD1 4.1Å; L187-Y210 HydrophobicContact CD1-CD2 3.59Å; L187-Y210 HydrophobicContact CD1-CE2 4.3Å; L187-Y210 HydrophobicContact CD1-CG 3.49Å; L187-Y210 VanDerWaalsContact CD1-CG 3.49Å; L187-L212 HydrophobicContact CD2-CD1 4.04Å; L187-L231 HydrophobicContact CD2-CD2 3.67Å
188A98.1Very high96.2Very high44 Ų4449 Ų4936%0.36429%0.292SS..THydrogen-bonded Turntrans-51137.1176.100000111.5A185 M190 C226 D227A185-A188 PolarHBondContact O-N 3.17Å; A188-M190 VanDerWaalsContact C-N 3.32Å; A188-M190 PolarHBondContact O-N 2.88Å; A188-C226 CarbonylContact O-C 3.26Å; A188-C226 WeakPolarHBondContact O-CA 3.21Å; A188-D227 HydrophobicContact CB-CB 4.42Å; A188-D227 PolarHBondContact O-N 2.85Å
189G96.6Very high96.1Very high44 Ų4450.4 Ų50.445%0.45429%0.293SS..THydrogen-bonded Turntrans88.9-17.6-177.500000115L187 Y225L187-G189 PolarHBondContact O-N 2.84Å; G189-Y225 CarbonylContact C-O 3.45Å; G189-Y225 WeakPolarHBondContact CA-O 3.44Å; G189-Y225 WeakPolarHBondContact O-CB 3.25Å
190M96.8Very high95.9Very high17 Ų1748.8 Ų48.88%0.08429%0.29CS..  trans-63.1141.4178.7-70.7-70-7200112.8L187 A188 A194 L195 P221 V222 C226L187-M190 HydrophobicContact CB-CG 4.08Å; L187-M190 VanDerWaalsContact O-CB 3.22Å; L187-M190 WeakPolarHBondContact O-CB 3.36Å; L187-M190 WeakPolarHBondContact O-CG 3.32Å; L187-M190 PolarHBondContact O-N 2.83Å; L187-M190 VanDerWaalsContact O-N 3.11Å; A188-M190 VanDerWaalsContact C-N 3.32Å; A188-M190 PolarHBondContact O-N 2.88Å; M190-A194 HydrophobicContact CE-CB 3.77Å; M190-L195 HydrophobicContact CB-CD1 4.35Å; M190-L195 HydrophobicContact CB-CD2 3.84Å; M190-L195 HydrophobicContact CB-CG 3.86Å; M190-L195 HydrophobicContact CG-CD2 4.48Å; M190-P221 HydrophobicContact CE-CB 3.77Å; M190-P221 HydrophobicContact SD-CB 4.35Å; M190-V222 HydrophobicContact CE-CG2 3.64Å; M190-V222 HydrophobicContact SD-CB 4.34Å; M190-V222 HydrophobicContact SD-CG2 3.88Å; M190-C226 HydrophobicContact CG-CB 4.05Å; M190-C226 HydrophobicContact SD-CB 3.7Å
191P93.6Very high95.7Very high13 Ų1347.2 Ų47.28%0.08428%0.281CS..  trans-63.9147174-20.532.4000112.5S193 A194 L195 Y225 E351P191-S193 PolarHBondContact O-N 3.06Å; P191-A194 HydrophobicContact CB-CB 4.46Å; P191-A194 PolarHBondContact O-N 3.37Å; P191-A194 VanDerWaalsContact O-N 3.08Å; P191-L195 PolarHBondContact O-N 2.79Å; P191-Y225 HydrophobicContact CG-CD2 3.54Å; P191-Y225 HydrophobicContact CG-CE2 3.91Å; P191-Y225 HydrophobicContact CG-CG 3.98Å; P191-E351 HydrophobicContact CB-CG 3.97Å; P191-E351 WeakPolarHBondContact CB-OE2 3.22Å; P191-E351 HydrophobicContact CG-CG 3.69Å
192E91.5Very high95.6Very high135 Ų13547.1 Ų47.163%0.63128%0.28SS*.Hα-helixtrans-55-39.7178.4-172.4-164.2142.400111.9L195 A196 K455E192-L195 PolarHBondContact O-N 3.32Å; E192-A196 VanDerWaalsContact O-CB 3.29Å; E192-A196 WeakPolarHBondContact O-CB 3.36Å; E192-A196 PolarHBondContact O-N 3.08Å; E192-K455 IonicContact OE1-NZ 3.52Å; E192-K455 PolarHBondContact OE1-NZ 3.43Å
193S89.6Confident95.5Very high46 Ų4647.1 Ų47.132%0.32227%0.272SS..Hα-helixtrans-59.9-45.3177.552.50000112.2P191 A196 A197P191-S193 PolarHBondContact O-N 3.06Å; S193-A196 PolarHBondContact O-N 3.48Å; S193-A197 WeakPolarHBondContact O-CB 3.22Å; S193-A197 PolarHBondContact O-N 2.86Å
194A93.6Very high95.3Very high9 Ų946.8 Ų46.87%0.07428%0.282CS..Hα-helixtrans-70-40178.700000111.9M190 P191 A197 A198 P221M190-A194 HydrophobicContact CE-CB 3.77Å; P191-A194 HydrophobicContact CB-CB 4.46Å; P191-A194 PolarHBondContact O-N 3.37Å; P191-A194 VanDerWaalsContact O-N 3.08Å; A194-A197 PolarHBondContact O-N 3.47Å; A194-A198 WeakPolarHBondContact O-CB 3.17Å; A194-A198 PolarHBondContact O-N 3.21Å; A194-P221 HydrophobicContact CB-CB 3.74Å; A194-P221 HydrophobicContact CB-CG 4.04Å
195L95.9Very high95.2Very high28 Ų2845.8 Ų45.815%0.14728%0.276CS..Hα-helixtrans-60.9-46.2173.1-70.2172.8000111.2L187 M190 P191 E192 A197 A198 K199 Y210L187-L195 HydrophobicContact CB-CD2 3.75Å; L187-L195 HydrophobicContact CD1-CD2 3.68Å; L187-L195 HydrophobicContact CG-CD2 4.35Å; M190-L195 HydrophobicContact CB-CD1 4.35Å; M190-L195 HydrophobicContact CB-CD2 3.84Å; M190-L195 HydrophobicContact CB-CG 3.86Å; M190-L195 HydrophobicContact CG-CD2 4.48Å; P191-L195 PolarHBondContact O-N 2.79Å; E192-L195 PolarHBondContact O-N 3.32Å; L195-A197 PolarHBondContact O-N 2.95Å; L195-A198 PolarHBondContact O-N 2.92Å; L195-K199 WeakPolarHBondContact O-CB 3.31Å; L195-K199 PolarHBondContact O-N 2.85Å; L195-Y210 HydrophobicContact CB-CE1 4.16Å; L195-Y210 HydrophobicContact CD2-CD1 4.3Å; L195-Y210 HydrophobicContact CD2-CE1 4.17Å; L195-Y210 WeakPolarHBondContact O-CD1 3.33Å
196A94.2Very high95.2Very high18 Ų1851.4 Ų51.415%0.14929%0.29CS..Hα-helixtrans-62.4-41.617700000111.9E192 S193 K199 A200 V452E192-A196 VanDerWaalsContact O-CB 3.29Å; E192-A196 WeakPolarHBondContact O-CB 3.36Å; E192-A196 PolarHBondContact O-N 3.08Å; S193-A196 PolarHBondContact O-N 3.48Å; A196-K199 PolarHBondContact O-N 3.4Å; A196-A200 WeakPolarHBondContact O-CB 3.4Å; A196-A200 PolarHBondContact O-N 3.02Å; A196-V452 HydrophobicContact CB-CG1 3.89Å
197A93.7Very high95.2Very high21 Ų2150.9 Ų50.917%0.17429%0.29CS..Hα-helixtrans-63.7-46.8176.200000112.1S193 A194 L195 K199 A200 Q201 V452S193-A197 WeakPolarHBondContact O-CB 3.22Å; S193-A197 PolarHBondContact O-N 2.86Å; A194-A197 PolarHBondContact O-N 3.47Å; L195-A197 PolarHBondContact O-N 2.95Å; A197-K199 VanDerWaalsContact C-N 3.33Å; A197-K199 PolarHBondContact O-N 2.94Å; A197-A200 PolarHBondContact O-N 3.14Å; A197-Q201 WeakPolarHBondContact O-CB 3.44Å; A197-Q201 PolarHBondContact O-N 3.19Å; A197-V452 HydrophobicContact CB-CG2 4.42Å
198A96.9Very high95.1Very high4 Ų459.1 Ų59.13%0.03333%0.328CS..Hα-helixtrans-63.6-38.3177.800000112.1A194 L195 Q201 A202 Y210 L211 L212A194-A198 WeakPolarHBondContact O-CB 3.17Å; A194-A198 PolarHBondContact O-N 3.21Å; L195-A198 PolarHBondContact O-N 2.92Å; A198-Q201 PolarHBondContact O-N 2.61Å; A198-A202 PolarHBondContact O-N 2.81Å; A198-Y210 HydrophobicContact CB-CD1 4.31Å; A198-L211 PolarHBondContact O-N 3.44Å; A198-L212 HydrophobicContact CB-CD2 3.93Å
199K96.8Very high95.1Very high96 Ų9658 Ų5842%0.41732%0.321SS..Hα-helixtrans-65.4-49.9174.3-179172.2178175.30112L195 A196 A197 Q201 A202 E203 Y210L195-K199 WeakPolarHBondContact O-CB 3.31Å; L195-K199 PolarHBondContact O-N 2.85Å; A196-K199 PolarHBondContact O-N 3.4Å; A197-K199 VanDerWaalsContact C-N 3.33Å; A197-K199 PolarHBondContact O-N 2.94Å; K199-Q201 PolarHBondContact O-N 3.11Å; K199-A202 WeakPolarHBondContact O-CB 3.49Å; K199-A202 PolarHBondContact O-N 2.79Å; K199-E203 WeakPolarHBondContact CE-OE1 3.43Å; K199-E203 WeakPolarHBondContact O-CG 3.3Å; K199-E203 PolarHBondContact O-N 2.8Å; K199-Y210 HydrophobicContact CB-CD1 3.84Å; K199-Y210 HydrophobicContact CB-CE1 3.88Å; K199-Y210 HydrophobicContact CD-CE1 4.46Å
200A94.3Very high95.2Very high22 Ų2257.3 Ų57.318%0.18231%0.305CS..Hα-helixtrans-59-32.5176.900000111.7A196 A197 A204 V452A196-A200 WeakPolarHBondContact O-CB 3.4Å; A196-A200 PolarHBondContact O-N 3.02Å; A197-A200 PolarHBondContact O-N 3.14Å; A200-A204 WeakPolarHBondContact O-CB 3.42Å; A200-A204 PolarHBondContact O-N 2.98Å; A200-V452 HydrophobicContact CB-CG1 4.19Å
201Q94.3Very high95.3Very high33 Ų3356.7 Ų56.715%0.15430%0.302CS..Hα-helixtrans-72.1-36.4175.4-171.4165.5-4.600113.3A197 A198 K199 K205 L211A197-Q201 WeakPolarHBondContact O-CB 3.44Å; A197-Q201 PolarHBondContact O-N 3.19Å; A198-Q201 PolarHBondContact O-N 2.61Å; K199-Q201 PolarHBondContact O-N 3.11Å; Q201-K205 PolarHBondContact O-N 3.05Å; Q201-L211 HydrophobicContact CB-CB 4.48Å; Q201-L211 HydrophobicContact CG-CB 4.34Å; Q201-L211 HydrophobicContact CG-CD2 4.13Å
202A96.9Very high95.5Very high0 Ų056.1 Ų56.10%030%0.298CS..Hα-helixtrans-64.3-48.3170.900000111.1L180 A198 K199 A204 K205 E206 L207 G209 L211L180-A202 HydrophobicContact CD1-CB 4.29Å; A198-A202 PolarHBondContact O-N 2.81Å; K199-A202 WeakPolarHBondContact O-CB 3.49Å; K199-A202 PolarHBondContact O-N 2.79Å; A202-A204 VanDerWaalsContact C-N 3.32Å; A202-A204 PolarHBondContact O-N 3.34Å; A202-K205 CarbonylContact O-C 3.4Å; A202-K205 WeakPolarHBondContact O-CA 3.32Å; A202-K205 PolarHBondContact O-N 3.35Å; A202-E206 PolarHBondContact O-N 2.94Å; A202-L207 CarbonylContact C-O 3.54Å; A202-L207 HydrophobicContact CB-CB 4.2Å; A202-L207 PolarHBondContact O-N 2.82Å; A202-G209 WeakPolarHBondContact CB-O 3.27Å; A202-L211 HydrophobicContact CB-CB 3.88Å
203E95.8Very high95.8Very high111 Ų11150 Ų5052%0.51927%0.27SS..Hα-helixtrans-59.6-40.9179.1-70.6173176.300112K199 K205 E206K199-E203 WeakPolarHBondContact CE-OE1 3.43Å; K199-E203 WeakPolarHBondContact O-CG 3.3Å; K199-E203 PolarHBondContact O-N 2.8Å; E203-K205 PolarHBondContact O-N 3.04Å; E203-E206 PolarHBondContact O-N 3.13Å
204A92.7Very high96.2Very high79 Ų7948 Ų4865%0.65326%0.255SS*.THydrogen-bonded Turntrans-63.1-19.3175.400000113.7A200 A202A200-A204 WeakPolarHBondContact O-CB 3.42Å; A200-A204 PolarHBondContact O-N 2.98Å; A202-A204 VanDerWaalsContact C-N 3.32Å; A202-A204 PolarHBondContact O-N 3.34Å
205K94.6Very high96.3Very high88 Ų8848.9 Ų48.938%0.38326%0.259SS..THydrogen-bonded Turntrans-105.114.1173.5-62.4-157.9-177.2-169.80113.1Q201 A202 E203 L207 L211 E415Q201-K205 PolarHBondContact O-N 3.05Å; A202-K205 CarbonylContact O-C 3.4Å; A202-K205 WeakPolarHBondContact O-CA 3.32Å; A202-K205 PolarHBondContact O-N 3.35Å; E203-K205 PolarHBondContact O-N 3.04Å; K205-L207 HydrophobicContact CB-CD1 4.15Å; K205-L207 HydrophobicContact CB-CG 4.2Å; K205-L207 PolarHBondContact O-N 3.42Å; K205-L211 HydrophobicContact CD-CD2 3.66Å; K205-L211 HydrophobicContact CG-CD2 4.27Å; K205-E415 WeakPolarHBondContact CE-OE1 3.41Å; K205-E415 IonicContact NZ-OE1 3.46Å; K205-E415 PolarHBondContact NZ-OE1 2.99Å
206E97.3Very high96.3Very high188 Ų18850.9 Ų50.988%0.87927%0.269SS*.THydrogen-bonded Turntrans58.331.7-178.6-52.4179.7171.300112.8A202 E203A202-E206 PolarHBondContact O-N 2.94Å; E203-E206 PolarHBondContact O-N 3.13Å
207L97.7Very high96.3Very high69 Ų6951 Ų5136%0.36127%0.268SS..  trans-106.5145.7176.7-60.4174.1000110.6L180 A202 K205 L211L180-L207 HydrophobicContact CD1-CB 4.12Å; L180-L207 HydrophobicContact CD1-CD1 4.36Å; L180-L207 HydrophobicContact CD2-CB 4.45Å; A202-L207 CarbonylContact C-O 3.54Å; A202-L207 HydrophobicContact CB-CB 4.2Å; A202-L207 PolarHBondContact O-N 2.82Å; K205-L207 HydrophobicContact CB-CD1 4.15Å; K205-L207 HydrophobicContact CB-CG 4.2Å; K205-L207 PolarHBondContact O-N 3.42Å; L207-L211 HydrophobicContact CD1-CD1 4.06Å; L207-L211 HydrophobicContact CD1-CD2 4.39Å
208E97.3Very high96.4Very high176 Ų17650.6 Ų50.682%0.82227%0.265SS*.SBendtrans-92.4131171.6-66-175.6171.400110.5
209G98Very high96.4Very high22 Ų2251.5 Ų51.523%0.22727%0.267CS..SBendtrans119.2-144.3178.900000112.6A202A202-G209 WeakPolarHBondContact CB-O 3.27Å
210Y98.5Very high96.4Very high29 Ų2950.9 Ų50.911%0.11427%0.268CS..EExtended strand (participates in β ladder)trans-124.3120.4-176.9-58-87.2000109.4L180 V181 E184 L187 L195 A198 K199L180-Y210 WeakPolarHBondContact CA-O 3.39Å; V181-Y210 PolarHBondContact N-O 2.96Å; V181-Y210 WeakPolarHBondContact O-CD2 3.04Å; V181-Y210 PolarHBondContact O-N 3.02Å; E184-Y210 HydrophobicContact CB-CE2 3.94Å; E184-Y210 VanDerWaalsContact CD-OH 3.23Å; E184-Y210 HydrophobicContact CG-CE2 4.04Å; E184-Y210 PolarHBondContact OE2-OH 3.13Å; L187-Y210 HydrophobicContact CD1-CD1 4.1Å; L187-Y210 HydrophobicContact CD1-CD2 3.59Å; L187-Y210 HydrophobicContact CD1-CE2 4.3Å; L187-Y210 HydrophobicContact CD1-CG 3.49Å; L187-Y210 VanDerWaalsContact CD1-CG 3.49Å; L195-Y210 HydrophobicContact CB-CE1 4.16Å; L195-Y210 HydrophobicContact CD2-CD1 4.3Å; L195-Y210 HydrophobicContact CD2-CE1 4.17Å; L195-Y210 WeakPolarHBondContact O-CD1 3.33Å; A198-Y210 HydrophobicContact CB-CD1 4.31Å; K199-Y210 HydrophobicContact CB-CD1 3.84Å; K199-Y210 HydrophobicContact CB-CE1 3.88Å; K199-Y210 HydrophobicContact CD-CE1 4.46Å
211L98.1Very high96.5Very high3 Ų350.3 Ų50.32%0.01626%0.262CS..EExtended strand (participates in β ladder)trans-101.7111.8-179.7-166.871.8000110.3L180 A198 Q201 A202 K205 L207L180-L211 HydrophobicContact CB-CD1 4.09Å; L180-L211 HydrophobicContact CD1-CD1 4.18Å; A198-L211 PolarHBondContact O-N 3.44Å; Q201-L211 HydrophobicContact CB-CB 4.48Å; Q201-L211 HydrophobicContact CG-CB 4.34Å; Q201-L211 HydrophobicContact CG-CD2 4.13Å; A202-L211 HydrophobicContact CB-CB 3.88Å; K205-L211 HydrophobicContact CD-CD2 3.66Å; K205-L211 HydrophobicContact CG-CD2 4.27Å; L207-L211 HydrophobicContact CD1-CD1 4.06Å; L207-L211 HydrophobicContact CD1-CD2 4.39Å
212L98.4Very high96.7Very high2 Ų248.7 Ų48.71%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-94.4142.7176.7-55.2173.3000110.7T178 K179 V181 L187 A198 S218 V222 L231 M235T178-L212 CarbonylContact C-O 3.51Å; T178-L212 VanDerWaalsContact CA-O 3.24Å; T178-L212 WeakPolarHBondContact CA-O 3.32Å; K179-L212 HydrophobicContact CB-CB 4.35Å; K179-L212 PolarHBondContact N-O 3.06Å; K179-L212 PolarHBondContact O-N 2.88Å; V181-L212 HydrophobicContact CG2-CD1 4.08Å; L187-L212 HydrophobicContact CD2-CD1 4.04Å; A198-L212 HydrophobicContact CB-CD2 3.93Å; L212-S218 WeakPolarHBondContact CA-OG 3.35Å; L212-V222 HydrophobicContact CD1-CG2 4.13Å; L212-V222 HydrophobicContact CD2-CG2 4.13Å; L212-L231 HydrophobicContact CD1-CD1 4.29Å; L212-L231 HydrophobicContact CD1-CD2 4.01Å; L212-M235 HydrophobicContact CB-CE 4.2Å; L212-M235 HydrophobicContact CB-SD 4.2Å; L212-M235 HydrophobicContact CD1-SD 3.84Å
213T97.5Very high96.8Very high6 Ų649 Ų494%0.03726%0.256CS..EExtended strand (participates in β ladder)trans-129-178.2176.171.80000111.9T178 D215 S218 M235T178-T213 HydrophobicContact CG2-CG2 4.14Å; T213-D215 PolarHBondContact OG1-N 2.76Å; T213-D215 PolarHBondContact OG1-OD2 2.9Å; T213-S218 PolarHBondContact N-OG 3.44Å; T213-S218 PolarHBondContact O-OG 3.04Å; T213-M235 VanDerWaalsContact O-CE 3.25Å; T213-M235 WeakPolarHBondContact O-CE 3.43Å
214L97.5Very high96.9Very high3 Ų344.5 Ų44.52%0.01624%0.237CC..SBendtrans-92.13.9175.4-58.7-176.3000113.4T174 W177 A238 Y239 R242T174-L214 HydrophobicContact CG2-CB 3.84Å; W177-L214 HydrophobicContact CB-CD1 3.73Å; W177-L214 HydrophobicContact CB-CG 4.07Å; W177-L214 HydrophobicContact CD2-CD1 4.4Å; W177-L214 HydrophobicContact CD2-CD2 3.99Å; W177-L214 HydrophobicContact CD2-CG 4.09Å; W177-L214 HydrophobicContact CE3-CD1 4.45Å; W177-L214 HydrophobicContact CE3-CD2 3.53Å; W177-L214 HydrophobicContact CE3-CG 3.66Å; W177-L214 HydrophobicContact CG-CD1 4.13Å; W177-L214 HydrophobicContact CG-CG 4.29Å; W177-L214 HydrophobicContact CZ3-CD2 3.96Å; W177-L214 HydrophobicContact CZ3-CG 4.49Å; L214-A238 HydrophobicContact CD1-CB 4.26Å; L214-A238 HydrophobicContact CD2-CB 3.94Å; L214-Y239 HydrophobicContact CB-CD2 4.3Å; L214-R242 HydrophobicContact CD1-CG 3.66Å
215D96.1Very high97.1Very high29 Ų2942.1 Ų42.116%0.15521%0.211CC..SBendtrans-65.2139.9170.7-58.2-57000109.2T213 P217 S218 Y219T213-D215 PolarHBondContact OG1-N 2.76Å; T213-D215 PolarHBondContact OG1-OD2 2.9Å; D215-P217 VanDerWaalsContact C-N 3.34Å; D215-S218 CarbonylContact O-C 3.58Å; D215-S218 WeakPolarHBondContact O-CA 3.24Å; D215-S218 PolarHBondContact O-N 3.28Å; D215-Y219 WeakPolarHBondContact O-CB 3.49Å; D215-Y219 PolarHBondContact O-N 3.31Å
216I94.8Very high97.3Very high69 Ų6938 Ų3835%0.35419%0.193SC..Hα-helixtrans-52.6-44.6-172.8-68.3-62.7000113.1S218 Y219 L220 Y239I216-S218 PolarHBondContact O-N 3.17Å; I216-Y219 HydrophobicContact CD1-CD1 4.31Å; I216-Y219 PolarHBondContact O-N 2.88Å; I216-L220 HydrophobicContact CG2-CB 4.37Å; I216-L220 WeakPolarHBondContact O-CB 3.23Å; I216-L220 PolarHBondContact O-N 3.01Å; I216-Y239 HydrophobicContact CD1-CE2 3.94Å; I216-Y239 WeakPolarHBondContact CD1-OH 3.47Å
217P94.3Very high97.3Very high20 Ų2032.4 Ų32.413%0.1317%0.169CC..Hα-helixtrans-59.5-25.1175.2-31.240.9000115.4D215 P221 A413 N447 N449D215-P217 VanDerWaalsContact C-N 3.34Å; P217-P221 VanDerWaalsContact O-CD 3.25Å; P217-P221 WeakPolarHBondContact O-CD 3.44Å; P217-P221 VanDerWaalsContact O-CG 3.25Å; P217-P221 WeakPolarHBondContact O-CG 3.32Å; P217-A413 HydrophobicContact CG-CB 3.76Å; P217-N447 WeakPolarHBondContact CD-O 3.33Å; P217-N447 WeakPolarHBondContact CG-O 3.49Å; P217-N449 WeakPolarHBondContact CB-OD1 3.15Å
218S96.6Very high97.4Very high14 Ų1431.1 Ų31.110%0.09816%0.163CC..Hα-helixtrans-91.9-39.3173.9-176.60000112.3L212 T213 D215 I216L212-S218 WeakPolarHBondContact CA-OG 3.35Å; T213-S218 PolarHBondContact N-OG 3.44Å; T213-S218 PolarHBondContact O-OG 3.04Å; D215-S218 CarbonylContact O-C 3.58Å; D215-S218 WeakPolarHBondContact O-CA 3.24Å; D215-S218 PolarHBondContact O-N 3.28Å; I216-S218 PolarHBondContact O-N 3.17Å
219Y97.8Very high97.4Very high23 Ų2326.8 Ų26.89%0.0914%0.143CC..Hα-helixtrans-72.7-50.3-174.4168.6-103.9000112.4D215 I216 V222 M223 M235 Y236 Y239D215-Y219 WeakPolarHBondContact O-CB 3.49Å; D215-Y219 PolarHBondContact O-N 3.31Å; I216-Y219 HydrophobicContact CD1-CD1 4.31Å; I216-Y219 PolarHBondContact O-N 2.88Å; Y219-V222 PolarHBondContact O-N 3.05Å; Y219-M223 HydrophobicContact CD1-CG 4.31Å; Y219-M223 HydrophobicContact CD2-CG 4.02Å; Y219-M223 HydrophobicContact CD2-SD 4.45Å; Y219-M223 HydrophobicContact CE1-CG 3.82Å; Y219-M223 HydrophobicContact CE2-CG 3.48Å; Y219-M223 VanDerWaalsContact CE2-CG 3.48Å; Y219-M223 HydrophobicContact CE2-SD 3.72Å; Y219-M223 HydrophobicContact CG-CG 4.4Å; Y219-M223 WeakPolarHBondContact O-CG 3.37Å; Y219-M223 PolarHBondContact O-N 2.88Å; Y219-M235 HydrophobicContact CD2-CB 4.44Å; Y219-M235 HydrophobicContact CD2-CE 4.28Å; Y219-Y236 WeakPolarHBondContact OH-CD2 3.26Å; Y219-Y239 AromaticContact CD1-CD2 3.78Å; Y219-Y239 HydrophobicContact CD1-CD2 3.78Å; Y219-Y239 AromaticContact CD1-CE2 3.84Å; Y219-Y239 HydrophobicContact CD1-CE2 3.84Å; Y219-Y239 HydrophobicContact CD1-CG 4.17Å; Y219-Y239 AromaticContact CD2-CD2 3.75Å; Y219-Y239 HydrophobicContact CD2-CD2 3.75Å; Y219-Y239 AromaticContact CD2-CG 3.89Å; Y219-Y239 HydrophobicContact CD2-CG 3.89Å; Y219-Y239 AromaticContact CE1-CD1 3.94Å; Y219-Y239 HydrophobicContact CE1-CD1 3.94Å; Y219-Y239 AromaticContact CE1-CD2 3.94Å; Y219-Y239 HydrophobicContact CE1-CD2 3.94Å; Y219-Y239 HydrophobicContact CE1-CE1 4.12Å; Y219-Y239 HydrophobicContact CE1-CE2 4.1Å; Y219-Y239 AromaticContact CE1-CG 3.85Å; Y219-Y239 HydrophobicContact CE1-CG 3.85Å; Y219-Y239 HydrophobicContact CE2-CD1 4.24Å; Y219-Y239 AromaticContact CE2-CD2 3.93Å; Y219-Y239 HydrophobicContact CE2-CD2 3.93Å; Y219-Y239 AromaticContact CE2-CG 3.57Å; Y219-Y239 HydrophobicContact CE2-CG 3.57Å; Y219-Y239 AromaticContact CG-CD2 3.67Å; Y219-Y239 HydrophobicContact CG-CD2 3.67Å; Y219-Y239 HydrophobicContact CG-CE2 4.1Å; Y219-Y239 HydrophobicContact CG-CG 4.18Å; Y219-Y239 AromaticContact CZ-CD1 3.73Å; Y219-Y239 AromaticContact CZ-CG 3.53Å
220L96.4Very high97.4Very high83 Ų8328.7 Ų28.744%0.43516%0.156SC..Hα-helixtrans-65-40.9-170.5-17463.5000112.9I216 V222 M223 T224I216-L220 HydrophobicContact CG2-CB 4.37Å; I216-L220 WeakPolarHBondContact O-CB 3.23Å; I216-L220 PolarHBondContact O-N 3.01Å; L220-V222 VanDerWaalsContact C-N 3.29Å; L220-V222 PolarHBondContact O-N 3.22Å; L220-M223 PolarHBondContact O-N 3.49Å; L220-T224 WeakPolarHBondContact O-CB 3.48Å; L220-T224 PolarHBondContact O-N 3.27Å; L220-T224 PolarHBondContact O-OG1 2.98Å
221P96.5Very high97.4Very high9 Ų927.5 Ų27.56%0.05815%0.152CC..Hα-helixtrans-61.6-36.2176.2-26.737.6000113.3M190 A194 P217 T224 Y225M190-P221 HydrophobicContact CE-CB 3.77Å; M190-P221 HydrophobicContact SD-CB 4.35Å; A194-P221 HydrophobicContact CB-CB 3.74Å; A194-P221 HydrophobicContact CB-CG 4.04Å; P217-P221 VanDerWaalsContact O-CD 3.25Å; P217-P221 WeakPolarHBondContact O-CD 3.44Å; P217-P221 VanDerWaalsContact O-CG 3.25Å; P217-P221 WeakPolarHBondContact O-CG 3.32Å; P221-T224 PolarHBondContact O-N 3.48Å; P221-Y225 HydrophobicContact CB-CD2 4.27Å; P221-Y225 WeakPolarHBondContact O-CB 3.45Å; P221-Y225 WeakPolarHBondContact O-CD2 3.48Å; P221-Y225 PolarHBondContact O-N 2.92Å
222V98.5Very high97.4Very high0 Ų027.5 Ų27.50%015%0.151CC..Hα-helixtrans-64.4-46.4175.71780000110.5M190 L212 Y219 L220 T224 C226 L231 R232 M235M190-V222 HydrophobicContact CE-CG2 3.64Å; M190-V222 HydrophobicContact SD-CB 4.34Å; M190-V222 HydrophobicContact SD-CG2 3.88Å; L212-V222 HydrophobicContact CD1-CG2 4.13Å; L212-V222 HydrophobicContact CD2-CG2 4.13Å; Y219-V222 PolarHBondContact O-N 3.05Å; L220-V222 VanDerWaalsContact C-N 3.29Å; L220-V222 PolarHBondContact O-N 3.22Å; V222-T224 PolarHBondContact O-N 3.04Å; V222-C226 HydrophobicContact CB-CB 4.41Å; V222-C226 HydrophobicContact CG1-CB 3.88Å; V222-C226 VanDerWaalsContact O-CB 3.23Å; V222-C226 WeakPolarHBondContact O-CB 3.23Å; V222-C226 PolarHBondContact O-N 3.24Å; V222-L231 HydrophobicContact CG1-CD2 4.37Å; V222-L231 HydrophobicContact CG1-CG 4.11Å; V222-R232 HydrophobicContact CG1-CG 4.41Å; V222-R232 WeakPolarHBondContact O-CG 3.38Å; V222-M235 HydrophobicContact CB-CE 4.34Å; V222-M235 HydrophobicContact CB-SD 3.72Å; V222-M235 HydrophobicContact CG1-CG 4.45Å; V222-M235 HydrophobicContact CG1-SD 3.56Å; V222-M235 VanDerWaalsContact CG1-SD 3.56Å; V222-M235 HydrophobicContact CG2-CE 4.18Å; V222-M235 HydrophobicContact CG2-SD 3.62Å
223M98.4Very high97.4Very high6 Ų631.3 Ų31.33%0.0317%0.169CC..Hα-helixtrans-64.3-29.5179.5-63.5-45.8-5100113.7Y219 L220 R232 M235 Y236 W332 A335 Y336Y219-M223 HydrophobicContact CD1-CG 4.31Å; Y219-M223 HydrophobicContact CD2-CG 4.02Å; Y219-M223 HydrophobicContact CD2-SD 4.45Å; Y219-M223 HydrophobicContact CE1-CG 3.82Å; Y219-M223 HydrophobicContact CE2-CG 3.48Å; Y219-M223 VanDerWaalsContact CE2-CG 3.48Å; Y219-M223 HydrophobicContact CE2-SD 3.72Å; Y219-M223 HydrophobicContact CG-CG 4.4Å; Y219-M223 WeakPolarHBondContact O-CG 3.37Å; Y219-M223 PolarHBondContact O-N 2.88Å; L220-M223 PolarHBondContact O-N 3.49Å; M223-R232 HydrophobicContact CE-CB 4.14Å; M223-R232 HydrophobicContact SD-CB 4.44Å; M223-M235 HydrophobicContact SD-CB 4.43Å; M223-Y236 HydrophobicContact CE-CD2 3.96Å; M223-Y236 HydrophobicContact CE-CG 4.18Å; M223-W332 HydrophobicContact CE-CB 3.78Å; M223-W332 VanDerWaalsContact CE-O 3.26Å; M223-W332 WeakPolarHBondContact CE-O 3.46Å; M223-A335 HydrophobicContact CB-CB 4.31Å; M223-A335 WeakPolarHBondContact O-CB 3.26Å; M223-Y336 WeakPolarHBondContact O-CB 3.41Å; M223-Y336 PolarHBondContact O-N 3.48Å; M223-Y336 VanDerWaalsContact O-N 3.11Å
224T97.6Very high97.4Very high17 Ų1734.6 Ų34.610%0.10418%0.184CC..Hα-helixtrans-94.5-34.8-171.7-50.30000112.5L220 P221 V222 Y336 E339L220-T224 WeakPolarHBondContact O-CB 3.48Å; L220-T224 PolarHBondContact O-N 3.27Å; L220-T224 PolarHBondContact O-OG1 2.98Å; P221-T224 PolarHBondContact O-N 3.48Å; V222-T224 PolarHBondContact O-N 3.04Å; T224-Y336 WeakPolarHBondContact O-CA 3.4Å; T224-E339 HydrophobicContact CG2-CB 3.81Å; T224-E339 HydrophobicContact CG2-CG 3.97Å
225Y97.5Very high97.5Very high29 Ų2934.5 Ų34.511%0.11418%0.183CC..Hα-helixtrans-127.2-26.3-166.4-55.8-70.5000115.4G189 P191 P221 D227 E339 E351G189-Y225 CarbonylContact C-O 3.45Å; G189-Y225 WeakPolarHBondContact CA-O 3.44Å; G189-Y225 WeakPolarHBondContact O-CB 3.25Å; P191-Y225 HydrophobicContact CG-CD2 3.54Å; P191-Y225 HydrophobicContact CG-CE2 3.91Å; P191-Y225 HydrophobicContact CG-CG 3.98Å; P221-Y225 HydrophobicContact CB-CD2 4.27Å; P221-Y225 WeakPolarHBondContact O-CB 3.45Å; P221-Y225 WeakPolarHBondContact O-CD2 3.48Å; P221-Y225 PolarHBondContact O-N 2.92Å; Y225-D227 PolarHBondContact O-N 3.12Å; Y225-E339 HydrophobicContact CD1-CG 4.03Å; Y225-E339 HydrophobicContact CE1-CG 3.61Å; Y225-E351 HydrophobicContact CE1-CG 4.13Å; Y225-E351 HydrophobicContact CE2-CG 4.24Å
226C98.4Very high97.6Very high0 Ų035.2 Ų35.20%018%0.184CC..  trans-66.8122.1-175.1-176.40000110.8A188 M190 V222 N228 R232A188-C226 CarbonylContact O-C 3.26Å; A188-C226 WeakPolarHBondContact O-CA 3.21Å; M190-C226 HydrophobicContact CG-CB 4.05Å; M190-C226 HydrophobicContact SD-CB 3.7Å; V222-C226 HydrophobicContact CB-CB 4.41Å; V222-C226 HydrophobicContact CG1-CB 3.88Å; V222-C226 VanDerWaalsContact O-CB 3.23Å; V222-C226 WeakPolarHBondContact O-CB 3.23Å; V222-C226 PolarHBondContact O-N 3.24Å; C226-N228 VanDerWaalsContact C-N 3.27Å; C226-N228 PolarHBondContact O-N 3.24Å; C226-R232 HydrophobicContact CB-CG 4.42Å; C226-R232 WeakPolarHBondContact O-CD 3.41Å; C226-R232 PolarHBondContact O-NH1 2.96Å
227D98.1Very high97.7Very high71 Ų7136.8 Ų36.838%0.3819%0.186SC..  trans-69-26.1-178.6-68-31000112.3A188 Y225 Q229 R232 Y336 K340A188-D227 HydrophobicContact CB-CB 4.42Å; A188-D227 PolarHBondContact O-N 2.85Å; Y225-D227 PolarHBondContact O-N 3.12Å; D227-Q229 PolarHBondContact O-N 3.31Å; D227-R232 VanDerWaalsContact C-NH1 3.25Å; D227-R232 PolarHBondContact O-NH1 2.86Å; D227-Y336 WeakPolarHBondContact OD1-CE2 3.49Å; D227-Y336 PolarHBondContact OD1-OH 3.13Å; D227-K340 IonicContact OD1-NZ 2.79Å
228N98.2Very high97.9Very high42 Ų4236 Ų3623%0.22518%0.181CC..  trans-67.497.3178-176-12.1000112E186 C226 A230 L231 R232E186-N228 VanDerWaalsContact O-CB 3.23Å; E186-N228 WeakPolarHBondContact O-CB 3.41Å; E186-N228 PolarHBondContact O-ND2 2.93Å; C226-N228 VanDerWaalsContact C-N 3.27Å; C226-N228 PolarHBondContact O-N 3.24Å; N228-A230 VanDerWaalsContact C-N 3.32Å; N228-A230 PolarHBondContact O-N 3.44Å; N228-A230 PolarHBondContact OD1-N 3.49Å; N228-L231 HydrophobicContact CB-CB 4.02Å; N228-L231 PolarHBondContact O-N 3.34Å; N228-L231 PolarHBondContact OD1-N 2.8Å; N228-L231 VanDerWaalsContact OD1-N 3.12Å; N228-R232 PolarHBondContact O-N 3.05Å
229Q97.6Very high98Very high86 Ų8638 Ų3840%0.40219%0.187SC..Hα-helixtrans-60.4-38.7-180-174.7-179.329.400113D227 L231 R232 E233 D333D227-Q229 PolarHBondContact O-N 3.31Å; Q229-L231 VanDerWaalsContact C-N 3.3Å; Q229-L231 PolarHBondContact O-N 3.13Å; Q229-R232 PolarHBondContact O-N 3.27Å; Q229-E233 WeakPolarHBondContact O-CB 3.09Å; Q229-E233 PolarHBondContact O-N 3.36Å; Q229-D333 PolarHBondContact NE2-OD1 3.14Å; Q229-D333 PolarHBondContact NE2-OD2 3.01Å
230A98.2Very high98Very high62 Ų6237.8 Ų37.851%0.51219%0.189SC..Hα-helixtrans-64.6-37.6-18000000111.3N228 E233 E234N228-A230 VanDerWaalsContact C-N 3.32Å; N228-A230 PolarHBondContact O-N 3.44Å; N228-A230 PolarHBondContact OD1-N 3.49Å; A230-E233 PolarHBondContact O-N 3.35Å; A230-E234 WeakPolarHBondContact O-CB 3.33Å; A230-E234 PolarHBondContact O-N 2.9Å
231L98.7Very high98Very high4 Ų434 Ų342%0.02117%0.169CC..Hα-helixtrans-68.3-41.8173.9-177.560.1000111.9K179 L187 L212 V222 N228 Q229 E233 E234 M235K179-L231 HydrophobicContact CG-CD1 4.18Å; L187-L231 HydrophobicContact CD2-CD2 3.67Å; L212-L231 HydrophobicContact CD1-CD1 4.29Å; L212-L231 HydrophobicContact CD1-CD2 4.01Å; V222-L231 HydrophobicContact CG1-CD2 4.37Å; V222-L231 HydrophobicContact CG1-CG 4.11Å; N228-L231 HydrophobicContact CB-CB 4.02Å; N228-L231 PolarHBondContact O-N 3.34Å; N228-L231 PolarHBondContact OD1-N 2.8Å; N228-L231 VanDerWaalsContact OD1-N 3.12Å; Q229-L231 VanDerWaalsContact C-N 3.3Å; Q229-L231 PolarHBondContact O-N 3.13Å; L231-E233 VanDerWaalsContact C-N 3.33Å; L231-E233 PolarHBondContact O-N 2.93Å; L231-E234 PolarHBondContact O-N 2.75Å; L231-M235 HydrophobicContact CD1-CG 4.24Å; L231-M235 HydrophobicContact CD1-SD 4.39Å; L231-M235 WeakPolarHBondContact O-CB 3.35Å; L231-M235 PolarHBondContact O-N 2.81Å
232R98.5Very high98.1Very high2 Ų235.1 Ų35.11%0.00817%0.172CC..Hα-helixtrans-58.5-44.9172.7-65.4-163.1-55.2-82.91.2111.4V222 M223 C226 D227 N228 Q229 Y236 D333V222-R232 HydrophobicContact CG1-CG 4.41Å; V222-R232 WeakPolarHBondContact O-CG 3.38Å; M223-R232 HydrophobicContact CE-CB 4.14Å; M223-R232 HydrophobicContact SD-CB 4.44Å; C226-R232 HydrophobicContact CB-CG 4.42Å; C226-R232 WeakPolarHBondContact O-CD 3.41Å; C226-R232 PolarHBondContact O-NH1 2.96Å; D227-R232 VanDerWaalsContact C-NH1 3.25Å; D227-R232 PolarHBondContact O-NH1 2.86Å; N228-R232 PolarHBondContact O-N 3.05Å; Q229-R232 PolarHBondContact O-N 3.27Å; R232-Y236 WeakPolarHBondContact O-CB 3.46Å; R232-Y236 PolarHBondContact O-N 3.16Å; R232-D333 IonicContact CZ-OD1 3.85Å; R232-D333 IonicContact NE-OD1 3.72Å; R232-D333 IonicContact NH2-OD1 2.77Å; R232-D333 PolarHBondContact NH2-OD1 3.38Å
233E98Very high98.1Very high82 Ų8235.3 Ų35.338%0.38317%0.174SC..Hα-helixtrans-61.6-48.1176.3-176.5-178.8172.200111.6Q229 A230 L231 M235 Y236 R237 W332Q229-E233 WeakPolarHBondContact O-CB 3.09Å; Q229-E233 PolarHBondContact O-N 3.36Å; A230-E233 PolarHBondContact O-N 3.35Å; L231-E233 VanDerWaalsContact C-N 3.33Å; L231-E233 PolarHBondContact O-N 2.93Å; E233-M235 PolarHBondContact O-N 2.97Å; E233-Y236 PolarHBondContact O-N 3.01Å; E233-R237 VanDerWaalsContact O-CB 3.3Å; E233-R237 WeakPolarHBondContact O-CB 3.12Å; E233-R237 PolarHBondContact O-N 3.12Å; E233-W332 HydrophobicContact CB-CD2 3.99Å; E233-W332 HydrophobicContact CB-CG 4.01Å; E233-W332 HydrophobicContact CB-CZ2 4.38Å; E233-W332 HydrophobicContact CG-CD2 3.87Å; E233-W332 HydrophobicContact CG-CE3 4.19Å; E233-W332 HydrophobicContact CG-CG 4.41Å; E233-W332 HydrophobicContact CG-CH2 4.11Å; E233-W332 HydrophobicContact CG-CZ2 3.78Å; E233-W332 HydrophobicContact CG-CZ3 4.32Å
234E98.5Very high98.1Very high76 Ų7635.2 Ų35.236%0.35517%0.174SC..Hα-helixtrans-57.4-50.5179.4-175-177.8162.600111.2W177 K179 A230 L231 R237 A238W177-E234 HydrophobicContact CZ2-CG 4.34Å; K179-E234 IonicContact NZ-OE1 3.14Å; K179-E234 PolarHBondContact NZ-OE1 2.84Å; K179-E234 VanDerWaalsContact NZ-OE1 3.14Å; K179-E234 IonicContact NZ-OE2 2.77Å; K179-E234 PolarHBondContact NZ-OE2 2.87Å; A230-E234 WeakPolarHBondContact O-CB 3.33Å; A230-E234 PolarHBondContact O-N 2.9Å; L231-E234 PolarHBondContact O-N 2.75Å; E234-R237 PolarHBondContact O-N 3.29Å; E234-A238 WeakPolarHBondContact O-CB 3.3Å; E234-A238 PolarHBondContact O-N 3.09Å
235M98.5Very high98.1Very high0 Ų037 Ų370%018%0.183CC..Hα-helixtrans-68.3-42.1179.8-74.5-166.269.200112.5W177 L212 T213 Y219 V222 M223 L231 E233 R237 A238 Y239W177-M235 HydrophobicContact CH2-CE 4.3Å; W177-M235 HydrophobicContact CH2-CG 3.5Å; W177-M235 VanDerWaalsContact CH2-CG 3.5Å; W177-M235 HydrophobicContact CH2-SD 4.17Å; W177-M235 HydrophobicContact CZ2-CG 4.21Å; W177-M235 HydrophobicContact CZ3-CE 4.05Å; W177-M235 HydrophobicContact CZ3-CG 4.17Å; W177-M235 HydrophobicContact CZ3-SD 4.49Å; L212-M235 HydrophobicContact CB-CE 4.2Å; L212-M235 HydrophobicContact CB-SD 4.2Å; L212-M235 HydrophobicContact CD1-SD 3.84Å; T213-M235 VanDerWaalsContact O-CE 3.25Å; T213-M235 WeakPolarHBondContact O-CE 3.43Å; Y219-M235 HydrophobicContact CD2-CB 4.44Å; Y219-M235 HydrophobicContact CD2-CE 4.28Å; V222-M235 HydrophobicContact CB-CE 4.34Å; V222-M235 HydrophobicContact CB-SD 3.72Å; V222-M235 HydrophobicContact CG1-CG 4.45Å; V222-M235 HydrophobicContact CG1-SD 3.56Å; V222-M235 VanDerWaalsContact CG1-SD 3.56Å; V222-M235 HydrophobicContact CG2-CE 4.18Å; V222-M235 HydrophobicContact CG2-SD 3.62Å; M223-M235 HydrophobicContact SD-CB 4.43Å; L231-M235 HydrophobicContact CD1-CG 4.24Å; L231-M235 HydrophobicContact CD1-SD 4.39Å; L231-M235 WeakPolarHBondContact O-CB 3.35Å; L231-M235 PolarHBondContact O-N 2.81Å; E233-M235 PolarHBondContact O-N 2.97Å; M235-R237 VanDerWaalsContact C-N 3.3Å; M235-R237 PolarHBondContact O-N 2.85Å; M235-A238 PolarHBondContact O-N 3.34Å; M235-Y239 WeakPolarHBondContact O-CB 3.29Å; M235-Y239 PolarHBondContact O-N 3.43Å
236Y98.2Very high98.1Very high45 Ų4538.4 Ų38.418%0.17619%0.19CC..Hα-helixtrans-60.8-41.4175.8179.9-97.1000111.7Y219 M223 R232 E233 S240 P331 W332 P580 W582Y219-Y236 WeakPolarHBondContact OH-CD2 3.26Å; M223-Y236 HydrophobicContact CE-CD2 3.96Å; M223-Y236 HydrophobicContact CE-CG 4.18Å; R232-Y236 WeakPolarHBondContact O-CB 3.46Å; R232-Y236 PolarHBondContact O-N 3.16Å; E233-Y236 PolarHBondContact O-N 3.01Å; Y236-S240 WeakPolarHBondContact O-CB 3.44Å; Y236-S240 PolarHBondContact O-N 3.3Å; Y236-S240 PolarHBondContact O-OG 3.14Å; Y236-P331 HydrophobicContact CE1-CB 3.89Å; Y236-P331 HydrophobicContact CE2-CB 4.46Å; Y236-P331 WeakPolarHBondContact OH-CB 3.24Å; Y236-W332 HydrophobicContact CD1-CB 3.94Å; Y236-W332 AromaticContact CD1-CE3 3.87Å; Y236-W332 HydrophobicContact CD1-CE3 3.87Å; Y236-W332 HydrophobicContact CD2-CB 4.3Å; Y236-W332 HydrophobicContact CE1-CE3 4.23Å; Y236-W332 HydrophobicContact CG-CB 3.69Å; Y236-P580 HydrophobicContact CE1-CG 3.98Å; Y236-W582 AromaticContact CD1-CH2 3.6Å; Y236-W582 HydrophobicContact CD1-CH2 3.6Å; Y236-W582 HydrophobicContact CD1-CZ3 4.36Å; Y236-W582 AromaticContact CE1-CH2 3.63Å; Y236-W582 HydrophobicContact CE1-CH2 3.63Å; Y236-W582 HydrophobicContact CE1-CZ2 4.47Å; Y236-W582 HydrophobicContact CE1-CZ3 4.21Å
237R98Very high98Very high101 Ų10139 Ų3938%0.38120%0.196SC..Hα-helixtrans-64.1-47.4175.3-172171-172.3-116.4-1.5111.2E233 E234 M235 T241 W582E233-R237 VanDerWaalsContact O-CB 3.3Å; E233-R237 WeakPolarHBondContact O-CB 3.12Å; E233-R237 PolarHBondContact O-N 3.12Å; E234-R237 PolarHBondContact O-N 3.29Å; M235-R237 VanDerWaalsContact C-N 3.3Å; M235-R237 PolarHBondContact O-N 2.85Å; R237-T241 WeakPolarHBondContact O-CB 3.41Å; R237-T241 WeakPolarHBondContact O-CG2 3.27Å; R237-T241 PolarHBondContact O-N 2.88Å; R237-T241 PolarHBondContact O-OG1 3.44Å; R237-W582 HydrophobicContact CB-CH2 3.82Å; R237-W582 HydrophobicContact CB-CZ2 4.45Å; R237-W582 HydrophobicContact CB-CZ3 4.04Å; R237-W582 HydrophobicContact CG-CE3 4.12Å; R237-W582 HydrophobicContact CG-CH2 3.96Å; R237-W582 HydrophobicContact CG-CZ2 4.4Å; R237-W582 HydrophobicContact CG-CZ3 3.85Å
238A98.5Very high97.9Very high4 Ų439.1 Ų39.13%0.03320%0.201CC..Hα-helixtrans-59.6-46.8177.100000112.3W177 L214 E234 M235 T241 R242 P248W177-A238 HydrophobicContact CD2-CB 3.92Å; W177-A238 HydrophobicContact CG-CB 4.01Å; W177-A238 HydrophobicContact CZ2-CB 4.23Å; L214-A238 HydrophobicContact CD1-CB 4.26Å; L214-A238 HydrophobicContact CD2-CB 3.94Å; E234-A238 WeakPolarHBondContact O-CB 3.3Å; E234-A238 PolarHBondContact O-N 3.09Å; M235-A238 PolarHBondContact O-N 3.34Å; A238-T241 PolarHBondContact O-OG1 3.09Å; A238-R242 PolarHBondContact O-N 3.37Å; A238-P248 HydrophobicContact CB-CG 3.94Å
239Y98.2Very high97.8Very high56 Ų5639.4 Ų39.422%0.2220%0.203CC..Hα-helixtrans-65.4-47.1-179.6-172.6-87.6000112.9L214 I216 Y219 M235 T241 R242L214-Y239 HydrophobicContact CB-CD2 4.3Å; I216-Y239 HydrophobicContact CD1-CE2 3.94Å; I216-Y239 WeakPolarHBondContact CD1-OH 3.47Å; Y219-Y239 AromaticContact CD1-CD2 3.78Å; Y219-Y239 HydrophobicContact CD1-CD2 3.78Å; Y219-Y239 AromaticContact CD1-CE2 3.84Å; Y219-Y239 HydrophobicContact CD1-CE2 3.84Å; Y219-Y239 HydrophobicContact CD1-CG 4.17Å; Y219-Y239 AromaticContact CD2-CD2 3.75Å; Y219-Y239 HydrophobicContact CD2-CD2 3.75Å; Y219-Y239 AromaticContact CD2-CG 3.89Å; Y219-Y239 HydrophobicContact CD2-CG 3.89Å; Y219-Y239 AromaticContact CE1-CD1 3.94Å; Y219-Y239 HydrophobicContact CE1-CD1 3.94Å; Y219-Y239 AromaticContact CE1-CD2 3.94Å; Y219-Y239 HydrophobicContact CE1-CD2 3.94Å; Y219-Y239 HydrophobicContact CE1-CE1 4.12Å; Y219-Y239 HydrophobicContact CE1-CE2 4.1Å; Y219-Y239 AromaticContact CE1-CG 3.85Å; Y219-Y239 HydrophobicContact CE1-CG 3.85Å; Y219-Y239 HydrophobicContact CE2-CD1 4.24Å; Y219-Y239 AromaticContact CE2-CD2 3.93Å; Y219-Y239 HydrophobicContact CE2-CD2 3.93Å; Y219-Y239 AromaticContact CE2-CG 3.57Å; Y219-Y239 HydrophobicContact CE2-CG 3.57Å; Y219-Y239 AromaticContact CG-CD2 3.67Å; Y219-Y239 HydrophobicContact CG-CD2 3.67Å; Y219-Y239 HydrophobicContact CG-CE2 4.1Å; Y219-Y239 HydrophobicContact CG-CG 4.18Å; Y219-Y239 AromaticContact CZ-CD1 3.73Å; Y219-Y239 AromaticContact CZ-CG 3.53Å; M235-Y239 WeakPolarHBondContact O-CB 3.29Å; M235-Y239 PolarHBondContact O-N 3.43Å; Y239-T241 PolarHBondContact O-N 3.01Å; Y239-R242 VanDerWaalsContact CE2-NH2 3.34Å; Y239-R242 WeakPolarHBondContact O-CG 3.4Å; Y239-R242 PolarHBondContact O-N 3.45Å; Y239-R242 PolarHBondContact O-NE 2.98Å; Y239-R242 PolarHBondContact OH-NH2 3.42Å; Y239-R242 VanDerWaalsContact OH-NH2 3.15Å
240S96.9Very high97.8Very high19 Ų1937.9 Ų37.913%0.13321%0.205CC..THydrogen-bonded Turntrans-76.1-1.7-175.4-56.60000113.9Y236 R584Y236-S240 WeakPolarHBondContact O-CB 3.44Å; Y236-S240 PolarHBondContact O-N 3.3Å; Y236-S240 PolarHBondContact O-OG 3.14Å; S240-R584 CarbonylContact O-C 3.58Å; S240-R584 WeakPolarHBondContact O-CA 3.46Å; S240-R584 PolarHBondContact O-N 3.41Å
241T98Very high97.8Very high4 Ų437.3 Ų37.33%0.02521%0.205CC..THydrogen-bonded Turntrans-125.512179.161.30000113.3R237 A238 Y239 A243 S244 Q246 G247 W582R237-T241 WeakPolarHBondContact O-CB 3.41Å; R237-T241 WeakPolarHBondContact O-CG2 3.27Å; R237-T241 PolarHBondContact O-N 2.88Å; R237-T241 PolarHBondContact O-OG1 3.44Å; A238-T241 PolarHBondContact O-OG1 3.09Å; Y239-T241 PolarHBondContact O-N 3.01Å; T241-A243 PolarHBondContact O-N 2.96Å; T241-S244 WeakPolarHBondContact O-CB 3.37Å; T241-S244 PolarHBondContact O-N 3.47Å; T241-S244 PolarHBondContact O-OG 3.44Å; T241-Q246 WeakPolarHBondContact CB-O 3.48Å; T241-Q246 HydrophobicContact CG2-CB 3.75Å; T241-G247 VanDerWaalsContact OG1-CA 3.3Å; T241-G247 WeakPolarHBondContact OG1-CA 3.43Å; T241-W582 HydrophobicContact CG2-CE3 3.85Å; T241-W582 HydrophobicContact CG2-CZ3 4.22Å; T241-W582 WeakPolarHBondContact CG2-O 3.4Å
242R98.2Very high97.8Very high31 Ų3143.6 Ų43.612%0.11723%0.232CC..THydrogen-bonded Turntrans-52.1139.2172.6-74-176.3-64.6160.14.5110.7A173 T174 L214 A238 Y239 S244 A588A173-R242 HydrophobicContact CB-CB 3.99Å; A173-R242 HydrophobicContact CB-CG 4.32Å; T174-R242 WeakPolarHBondContact OG1-CD 3.23Å; T174-R242 PolarHBondContact OG1-NH1 2.82Å; L214-R242 HydrophobicContact CD1-CG 3.66Å; A238-R242 PolarHBondContact O-N 3.37Å; Y239-R242 VanDerWaalsContact CE2-NH2 3.34Å; Y239-R242 WeakPolarHBondContact O-CG 3.4Å; Y239-R242 PolarHBondContact O-N 3.45Å; Y239-R242 PolarHBondContact O-NE 2.98Å; Y239-R242 PolarHBondContact OH-NH2 3.42Å; Y239-R242 VanDerWaalsContact OH-NH2 3.15Å; R242-S244 VanDerWaalsContact C-N 3.28Å; R242-S244 PolarHBondContact O-N 2.87Å; R242-A588 HydrophobicContact CB-CB 4.2Å
243A98.5Very high97.7Very high5 Ų545.5 Ų45.54%0.04124%0.239CC..THydrogen-bonded Turntrans53.939178.100000114N169 V170 A173 T241 W253 D254 N255 H587N169-A243 HydrophobicContact CB-CB 4.13Å; V170-A243 HydrophobicContact CG2-CB 4.16Å; A173-A243 HydrophobicContact CB-CB 4.15Å; A173-A243 VanDerWaalsContact CB-N 3.28Å; T241-A243 PolarHBondContact O-N 2.96Å; A243-W253 CarbonylContact C-O 3.23Å; A243-W253 VanDerWaalsContact C-O 3.32Å; A243-W253 WeakPolarHBondContact CA-O 3.27Å; A243-W253 VanDerWaalsContact CB-O 3.25Å; A243-W253 WeakPolarHBondContact CB-O 3.5Å; A243-D254 CarbonylContact O-C 2.95Å; A243-D254 WeakPolarHBondContact O-CA 3.4Å; A243-N255 WeakPolarHBondContact CB-ND2 3.39Å; A243-N255 WeakPolarHBondContact O-CB 3.16Å; A243-N255 PolarHBondContact O-N 2.94Å; A243-H587 WeakPolarHBondContact O-CB 3.46Å; A243-H587 PolarHBondContact O-CD2 3.31Å
244S98.3Very high97.8Very high3 Ų344 Ų442%0.02123%0.234CC..SBendtrans-131.9177.7-175.780.40000114.8T241 R242 Q246 G251 D254 H587T241-S244 WeakPolarHBondContact O-CB 3.37Å; T241-S244 PolarHBondContact O-N 3.47Å; T241-S244 PolarHBondContact O-OG 3.44Å; R242-S244 VanDerWaalsContact C-N 3.28Å; R242-S244 PolarHBondContact O-N 2.87Å; S244-Q246 PolarHBondContact O-N 3.04Å; S244-Q246 PolarHBondContact OG-N 2.7Å; S244-Q246 VanDerWaalsContact OG-N 3.12Å; S244-Q246 PolarHBondContact OG-O 3.03Å; S244-G251 PolarHBondContact O-N 3.12Å; S244-D254 WeakPolarHBondContact CA-OD1 3.38Å; S244-H587 VanDerWaalsContact CB-CD2 3.48Å; S244-H587 WeakPolarHBondContact CB-CD2 3.43Å
245D97.5Very high97.8Very high56 Ų5640.4 Ų40.430%0.29922%0.217SC..SBendtrans-73.4-1.5171.168.5-53.3000113.6A250 D254 R584D245-A250 WeakPolarHBondContact O-CB 3.47Å; D245-D254 PolarHBondContact N-OD1 3.01Å; D245-R584 IonicContact OD1-CZ 2.66Å; D245-R584 IonicContact OD1-NE 3.12Å; D245-R584 PolarHBondContact OD1-NE 2.88Å; D245-R584 IonicContact OD1-NH2 3.21Å; D245-R584 IonicContact OD2-CZ 3.32Å; D245-R584 IonicContact OD2-NE 3.16Å; D245-R584 IonicContact OD2-NH2 2.89Å; D245-R584 PolarHBondContact OD2-NH2 3.4Å
246Q97.7Very high97.7Very high57 Ų5741.5 Ų41.527%0.26623%0.225SC..SBendtrans-122.6167.7-175.9-60.5-60.2-47.400112T241 S244 R584T241-Q246 WeakPolarHBondContact CB-O 3.48Å; T241-Q246 HydrophobicContact CG2-CB 3.75Å; S244-Q246 PolarHBondContact O-N 3.04Å; S244-Q246 PolarHBondContact OG-N 2.7Å; S244-Q246 VanDerWaalsContact OG-N 3.12Å; S244-Q246 PolarHBondContact OG-O 3.03Å; Q246-R584 HydrophobicContact CB-CG 4.2Å; Q246-R584 HydrophobicContact CG-CG 4.05Å; Q246-R584 VanDerWaalsContact CG-NH2 3.34Å
247G96.3Very high97.7Very high12 Ų1247.3 Ų47.312%0.12425%0.251CS..SBendtrans87.1-169.2173.100000115.3T241 N249 A250T241-G247 VanDerWaalsContact OG1-CA 3.3Å; T241-G247 WeakPolarHBondContact OG1-CA 3.43Å; G247-N249 VanDerWaalsContact C-N 3.27Å; G247-N249 PolarHBondContact O-N 2.93Å; G247-A250 WeakPolarHBondContact O-CB 3.45Å; G247-A250 PolarHBondContact O-N 3.31Å
248P96.2Very high97.8Very high74 Ų7442.8 Ų42.848%0.48124%0.235SC..THydrogen-bonded Turntrans-67.5-25-173.425.9-33.9000113.8W177 A238W177-P248 VanDerWaalsContact CD1-CG 3.46Å; A238-P248 HydrophobicContact CB-CG 3.94Å
249N96.3Very high97.7Very high49 Ų4943.4 Ų43.426%0.26224%0.237SC..THydrogen-bonded Turntrans-115.328.6-179.7-71.6-40000112.1G176 G247 G251 K252 W253G176-N249 PolarHBondContact O-ND2 3.31Å; G247-N249 VanDerWaalsContact C-N 3.27Å; G247-N249 PolarHBondContact O-N 2.93Å; N249-G251 PolarHBondContact O-N 2.85Å; N249-K252 WeakPolarHBondContact O-CB 3.49Å; N249-K252 PolarHBondContact O-N 3.24Å; N249-K252 VanDerWaalsContact O-N 3.14Å; N249-W253 HydrophobicContact CB-CE3 4.25Å; N249-W253 HydrophobicContact CB-CZ3 3.94Å
250A97.7Very high97.6Very high53 Ų5347.1 Ų47.144%0.43826%0.257SS..THydrogen-bonded Turntrans-47.8128.6-176.700000112.4D245 G247 K252D245-A250 WeakPolarHBondContact O-CB 3.47Å; G247-A250 WeakPolarHBondContact O-CB 3.45Å; G247-A250 PolarHBondContact O-N 3.31Å; A250-K252 VanDerWaalsContact C-N 3.25Å; A250-K252 PolarHBondContact O-N 3.33Å
251G97.2Very high97.6Very high51 Ų5149.4 Ų49.453%0.52627%0.265SS..THydrogen-bonded Turntrans79.4-9.8175.700000115.9S244 N249S244-G251 PolarHBondContact O-N 3.12Å; N249-G251 PolarHBondContact O-N 2.85Å
252K98.1Very high97.6Very high135 Ų13549.3 Ų49.359%0.58726%0.264SS*.THydrogen-bonded Turntrans-73.5-39.3-176.6-171.3173.6175-169.60113.3N249 A250N249-K252 WeakPolarHBondContact O-CB 3.49Å; N249-K252 PolarHBondContact O-N 3.24Å; N249-K252 VanDerWaalsContact O-N 3.14Å; A250-K252 VanDerWaalsContact C-N 3.25Å; A250-K252 PolarHBondContact O-N 3.33Å
253W98Very high97.5Very high42 Ų4249.9 Ų49.916%0.15927%0.27CS..SBendtrans-132.837.5179.7-58.6-75.4000110.7N169 D172 A173 A243 N249 N255N169-W253 HydrophobicContact CB-CB 4Å; N169-W253 WeakPolarHBondContact CB-O 3.3Å; D172-W253 HydrophobicContact CB-CD2 4.1Å; D172-W253 HydrophobicContact CB-CG 4.17Å; D172-W253 HydrophobicContact CB-CZ2 4.05Å; D172-W253 WeakPolarHBondContact O-CH2 3.49Å; A173-W253 HydrophobicContact CB-CB 4.5Å; A173-W253 HydrophobicContact CB-CE3 3.94Å; A243-W253 CarbonylContact C-O 3.23Å; A243-W253 VanDerWaalsContact C-O 3.32Å; A243-W253 WeakPolarHBondContact CA-O 3.27Å; A243-W253 VanDerWaalsContact CB-O 3.25Å; A243-W253 WeakPolarHBondContact CB-O 3.5Å; N249-W253 HydrophobicContact CB-CE3 4.25Å; N249-W253 HydrophobicContact CB-CZ3 3.94Å; W253-N255 PolarHBondContact O-N 3.32Å
254D98.6Very high97.4Very high51 Ų5152.5 Ų52.527%0.27329%0.291SS..  trans-68.8118.6-169.8179.517.8000113.1A243 S244 D245 S256 H587A243-D254 CarbonylContact O-C 2.95Å; A243-D254 WeakPolarHBondContact O-CA 3.4Å; S244-D254 WeakPolarHBondContact CA-OD1 3.38Å; D245-D254 PolarHBondContact N-OD1 3.01Å; D254-S256 VanDerWaalsContact C-N 3.34Å; D254-S256 VanDerWaalsContact CG-OG 3.32Å; D254-S256 VanDerWaalsContact OD1-CB 3.31Å; D254-S256 WeakPolarHBondContact OD1-CB 3.49Å; D254-S256 PolarHBondContact OD1-N 3.24Å; D254-S256 PolarHBondContact OD1-OG 3.23Å; D254-S256 PolarHBondContact OD2-OG 2.95Å; D254-H587 IonicContact OD1-CD2 3.62Å; D254-H587 IonicContact OD1-NE2 3.37Å
255N98.7Very high97.4Very high0 Ų053 Ų530%029%0.293CS..  trans-82.4-0.8177.8-82.1-26.8000114.2Y166 N169 A243 W253 K257 V258 M259 H587Y166-N255 WeakPolarHBondContact CA-OD1 3.23Å; Y166-N255 HydrophobicContact CD2-CB 3.82Å; Y166-N255 VanDerWaalsContact CD2-CG 3.41Å; Y166-N255 VanDerWaalsContact CD2-ND2 3.29Å; Y166-N255 WeakPolarHBondContact CD2-ND2 3.35Å; Y166-N255 HydrophobicContact CE2-CB 3.87Å; Y166-N255 WeakPolarHBondContact CE2-ND2 3.48Å; Y166-N255 PolarHBondContact O-ND2 3.3Å; N169-N255 WeakPolarHBondContact CB-OD1 3.25Å; N169-N255 PolarHBondContact ND2-OD1 3.14Å; A243-N255 WeakPolarHBondContact CB-ND2 3.39Å; A243-N255 WeakPolarHBondContact O-CB 3.16Å; A243-N255 PolarHBondContact O-N 2.94Å; W253-N255 PolarHBondContact O-N 3.32Å; N255-K257 PolarHBondContact O-N 3.3Å; N255-V258 WeakPolarHBondContact O-CB 3.41Å; N255-V258 PolarHBondContact O-N 3.28Å; N255-V258 VanDerWaalsContact O-N 3.1Å; N255-M259 HydrophobicContact CB-CG 4.47Å; N255-M259 WeakPolarHBondContact O-CG 3.47Å; N255-M259 PolarHBondContact O-N 3.45Å; N255-H587 HydrophobicContact CB-CB 4.45Å; N255-H587 PolarHBondContact ND2-O 2.95Å
256S97.8Very high97.4Very high24 Ų2451.2 Ų51.217%0.16828%0.283CS..Hα-helixtrans-51.5-54-177-59.90000112.7D254 V258 M259 E260 H587D254-S256 VanDerWaalsContact C-N 3.34Å; D254-S256 VanDerWaalsContact CG-OG 3.32Å; D254-S256 VanDerWaalsContact OD1-CB 3.31Å; D254-S256 WeakPolarHBondContact OD1-CB 3.49Å; D254-S256 PolarHBondContact OD1-N 3.24Å; D254-S256 PolarHBondContact OD1-OG 3.23Å; D254-S256 PolarHBondContact OD2-OG 2.95Å; S256-V258 PolarHBondContact O-N 3.15Å; S256-M259 PolarHBondContact O-N 2.84Å; S256-E260 WeakPolarHBondContact O-CG 3.44Å; S256-E260 PolarHBondContact O-N 2.64Å; S256-E260 VanDerWaalsContact O-N 3.09Å; S256-H587 PolarHBondContact OG-NE2 2.93Å
257K98Very high97.3Very high166 Ų16651.1 Ų51.172%0.72228%0.282SS*.Hα-helixtrans-68.7-33.8179-66.5-176.3179.3179.10113N255 E260 E261N255-K257 PolarHBondContact O-N 3.3Å; K257-E260 PolarHBondContact O-N 3.05Å; K257-E261 WeakPolarHBondContact O-CB 3.37Å; K257-E261 PolarHBondContact O-N 2.8Å
258V98.6Very high97.3Very high6 Ų653.4 Ų53.44%0.03629%0.29CS..Hα-helixtrans-62.7-46.9177.7175.80000109.7L162 Q165 Y166 N255 S256 E261 I262L162-V258 HydrophobicContact CB-CG1 4.19Å; L162-V258 HydrophobicContact CD2-CB 4.35Å; L162-V258 HydrophobicContact CD2-CG1 3.91Å; L162-V258 HydrophobicContact CD2-CG2 4.41Å; L162-V258 WeakPolarHBondContact O-CG1 3.46Å; Q165-V258 HydrophobicContact CG-CG2 4.25Å; Y166-V258 HydrophobicContact CD2-CG1 4.31Å; N255-V258 WeakPolarHBondContact O-CB 3.41Å; N255-V258 PolarHBondContact O-N 3.28Å; N255-V258 VanDerWaalsContact O-N 3.1Å; S256-V258 PolarHBondContact O-N 3.15Å; V258-E261 PolarHBondContact O-N 3.36Å; V258-I262 HydrophobicContact CG1-CD1 3.85Å; V258-I262 WeakPolarHBondContact O-CB 3.31Å; V258-I262 VanDerWaalsContact O-CG1 3.22Å; V258-I262 WeakPolarHBondContact O-CG1 3.25Å; V258-I262 PolarHBondContact O-N 3.3Å
259M97.2Very high97.4Very high18 Ų1850.3 Ų50.39%0.08927%0.269CS..Hα-helixtrans-66-44.3177.6-67.2-171.9-62.500112.6Y166 N255 S256 E261 I262 L263 P586 H587 F593Y166-M259 HydrophobicContact CD2-CG 4.14Å; Y166-M259 HydrophobicContact CE2-CG 3.76Å; Y166-M259 HydrophobicContact CE2-SD 4.01Å; N255-M259 HydrophobicContact CB-CG 4.47Å; N255-M259 WeakPolarHBondContact O-CG 3.47Å; N255-M259 PolarHBondContact O-N 3.45Å; S256-M259 PolarHBondContact O-N 2.84Å; M259-E261 VanDerWaalsContact C-N 3.29Å; M259-E261 PolarHBondContact O-N 3.27Å; M259-I262 PolarHBondContact O-N 3.35Å; M259-L263 VanDerWaalsContact O-CG 3.31Å; M259-L263 WeakPolarHBondContact O-CG 3.34Å; M259-L263 PolarHBondContact O-N 3.44Å; M259-P586 HydrophobicContact SD-CB 4.13Å; M259-H587 HydrophobicContact CE-CB 4.39Å; M259-H587 WeakPolarHBondContact CE-CE1 3.47Å; M259-H587 WeakPolarHBondContact CE-ND1 3.44Å; M259-H587 WeakPolarHBondContact CE-NE2 3.23Å; M259-F593 HydrophobicContact CB-CD1 4.07Å; M259-F593 HydrophobicContact CB-CE1 3.68Å; M259-F593 HydrophobicContact CB-CZ 4.1Å; M259-F593 HydrophobicContact CG-CD1 3.69Å; M259-F593 HydrophobicContact CG-CD2 4.15Å; M259-F593 HydrophobicContact CG-CE1 3.66Å; M259-F593 HydrophobicContact CG-CE2 4.13Å; M259-F593 HydrophobicContact CG-CG 3.94Å; M259-F593 HydrophobicContact CG-CZ 3.88Å; M259-F593 HydrophobicContact SD-CD1 4.45Å; M259-F593 HydrophobicContact SD-CD2 3.95Å; M259-F593 HydrophobicContact SD-CE1 4.15Å; M259-F593 HydrophobicContact SD-CE2 3.61Å; M259-F593 HydrophobicContact SD-CG 4.36Å; M259-F593 HydrophobicContact SD-CZ 3.72Å
260E95.3Very high97.4Very high134 Ų13448 Ų4863%0.62626%0.257SS*.Hα-helixtrans-55.7-46.2176-75.8173.6-172.600111.2S256 K257 L263 A264S256-E260 WeakPolarHBondContact O-CG 3.44Å; S256-E260 PolarHBondContact O-N 2.64Å; S256-E260 VanDerWaalsContact O-N 3.09Å; K257-E260 PolarHBondContact O-N 3.05Å; E260-L263 PolarHBondContact O-N 3.42Å; E260-A264 WeakPolarHBondContact O-CB 3.42Å; E260-A264 PolarHBondContact O-N 2.91Å
261E98.1Very high97.4Very high67 Ų6750.7 Ų50.731%0.31326%0.26SS..Hα-helixtrans-67.4-44.2178.7-163.8179.3169.400111.7R158 L162 K257 V258 M259 L263 A264 L265R158-E261 WeakPolarHBondContact CG-OE1 3.45Å; R158-E261 IonicContact CZ-OE1 3.63Å; R158-E261 IonicContact CZ-OE2 2.85Å; R158-E261 IonicContact NE-OE1 3.59Å; R158-E261 PolarHBondContact NE-OE1 2.85Å; R158-E261 IonicContact NE-OE2 3.69Å; R158-E261 IonicContact NH2-OE1 3.65Å; R158-E261 PolarHBondContact NH2-OE1 3.35Å; R158-E261 IonicContact NH2-OE2 3.58Å; R158-E261 PolarHBondContact NH2-OE2 3.14Å; L162-E261 HydrophobicContact CD1-CB 3.93Å; L162-E261 HydrophobicContact CD1-CG 3.72Å; L162-E261 HydrophobicContact CD2-CB 4.42Å; K257-E261 WeakPolarHBondContact O-CB 3.37Å; K257-E261 PolarHBondContact O-N 2.8Å; V258-E261 PolarHBondContact O-N 3.36Å; M259-E261 VanDerWaalsContact C-N 3.29Å; M259-E261 PolarHBondContact O-N 3.27Å; E261-L263 VanDerWaalsContact C-N 3.33Å; E261-L263 PolarHBondContact O-N 3.37Å; E261-A264 PolarHBondContact O-N 2.79Å; E261-L265 HydrophobicContact CG-CD1 3.82Å; E261-L265 HydrophobicContact CG-CG 4.25Å; E261-L265 VanDerWaalsContact O-CB 3.27Å; E261-L265 WeakPolarHBondContact O-CB 2.89Å; E261-L265 VanDerWaalsContact O-CG 3.22Å; E261-L265 WeakPolarHBondContact O-CG 3.43Å; E261-L265 PolarHBondContact O-N 3.2Å
262I97.9Very high97.4Very high1 Ų149.4 Ų49.41%0.00524%0.241CC..Hα-helixtrans-56-47.4175.5-73.6168.6000111L159 L162 V258 M259 L265 R266 F593L159-I262 HydrophobicContact CD2-CB 4.38Å; L159-I262 HydrophobicContact CD2-CG1 4.37Å; L159-I262 HydrophobicContact CD2-CG2 4.17Å; L162-I262 HydrophobicContact CB-CD1 3.94Å; L162-I262 HydrophobicContact CB-CG1 3.63Å; L162-I262 HydrophobicContact CD1-CG1 3.94Å; L162-I262 HydrophobicContact CG-CG1 4.35Å; V258-I262 HydrophobicContact CG1-CD1 3.85Å; V258-I262 WeakPolarHBondContact O-CB 3.31Å; V258-I262 VanDerWaalsContact O-CG1 3.22Å; V258-I262 WeakPolarHBondContact O-CG1 3.25Å; V258-I262 PolarHBondContact O-N 3.3Å; M259-I262 PolarHBondContact O-N 3.35Å; I262-L265 PolarHBondContact O-N 2.78Å; I262-R266 HydrophobicContact CG2-CG 4.31Å; I262-R266 VanDerWaalsContact O-CB 3.29Å; I262-R266 WeakPolarHBondContact O-CB 3.34Å; I262-R266 VanDerWaalsContact O-CG 3.24Å; I262-R266 WeakPolarHBondContact O-CG 3.21Å; I262-R266 PolarHBondContact O-N 2.66Å; I262-F593 HydrophobicContact CB-CD1 4.34Å; I262-F593 HydrophobicContact CD1-CB 4.23Å; I262-F593 HydrophobicContact CD1-CD1 4.06Å; I262-F593 HydrophobicContact CG2-CD1 4.03Å; I262-F593 HydrophobicContact CG2-CE1 4.5Å
263L95.4Very high97.4Very high43 Ų4344.5 Ų44.523%0.22522%0.221CC..Hα-helixtrans-66.2-43.8-178-69.1171.8000111.7M259 E260 E261 R266 H267 L561 F593M259-L263 VanDerWaalsContact O-CG 3.31Å; M259-L263 WeakPolarHBondContact O-CG 3.34Å; M259-L263 PolarHBondContact O-N 3.44Å; E260-L263 PolarHBondContact O-N 3.42Å; E261-L263 VanDerWaalsContact C-N 3.33Å; E261-L263 PolarHBondContact O-N 3.37Å; L263-R266 PolarHBondContact O-N 2.81Å; L263-H267 WeakPolarHBondContact O-CB 3.38Å; L263-H267 PolarHBondContact O-N 3.48Å; L263-L561 HydrophobicContact CD1-CD2 4.26Å; L263-L561 HydrophobicContact CD2-CB 4.28Å; L263-L561 HydrophobicContact CD2-CD1 4.49Å; L263-F593 HydrophobicContact CD1-CE1 4.39Å; L263-F593 HydrophobicContact CD2-CE1 4.21Å; L263-F593 HydrophobicContact CG-CE1 4.09Å
264A95.9Very high97.3Very high60 Ų6045.7 Ų45.750%0.49625%0.247SC..Hα-helixtrans-61.1-47.2176.700000111.6E260 E261 H267 E268E260-A264 WeakPolarHBondContact O-CB 3.42Å; E260-A264 PolarHBondContact O-N 2.91Å; E261-A264 PolarHBondContact O-N 2.79Å; A264-H267 PolarHBondContact O-N 3.43Å; A264-E268 WeakPolarHBondContact O-CB 3.43Å; A264-E268 PolarHBondContact O-N 3.26Å
265L98.2Very high97.2Very high13 Ų1346 Ų467%0.06825%0.245CC..Hα-helixtrans-66.2-39.8179.4-73.4175.4000112.7I155 R158 L159 L162 E261 I262 H267 E268 L269I155-L265 HydrophobicContact CB-CD2 4.38Å; I155-L265 HydrophobicContact CG1-CD2 3.87Å; I155-L265 HydrophobicContact CG2-CB 3.87Å; I155-L265 HydrophobicContact CG2-CD2 4.07Å; I155-L265 HydrophobicContact CG2-CG 4.45Å; R158-L265 HydrophobicContact CB-CD1 3.99Å; R158-L265 HydrophobicContact CG-CD1 3.52Å; L159-L265 HydrophobicContact CD2-CB 3.78Å; L159-L265 HydrophobicContact CD2-CD1 4.26Å; L159-L265 HydrophobicContact CG-CB 4.11Å; L159-L265 HydrophobicContact CG-CD1 4.4Å; L162-L265 HydrophobicContact CD1-CD1 3.67Å; E261-L265 HydrophobicContact CG-CD1 3.82Å; E261-L265 HydrophobicContact CG-CG 4.25Å; E261-L265 VanDerWaalsContact O-CB 3.27Å; E261-L265 WeakPolarHBondContact O-CB 2.89Å; E261-L265 VanDerWaalsContact O-CG 3.22Å; E261-L265 WeakPolarHBondContact O-CG 3.43Å; E261-L265 PolarHBondContact O-N 3.2Å; I262-L265 PolarHBondContact O-N 2.78Å; L265-H267 VanDerWaalsContact C-N 3.35Å; L265-E268 PolarHBondContact O-N 2.87Å; L265-L269 VanDerWaalsContact O-CB 3.28Å; L265-L269 WeakPolarHBondContact O-CB 3.35Å; L265-L269 PolarHBondContact O-N 2.78Å
266R97.5Very high97Very high20 Ų2052.6 Ų52.68%0.07528%0.276CS..Hα-helixtrans-62-42.7174-79.9176.7-179.8168.51.3111.7L159 I262 L263 A270 Y278 I592 A598L159-R266 HydrophobicContact CD1-CG 4.3Å; L159-R266 HydrophobicContact CD2-CG 4.03Å; I262-R266 HydrophobicContact CG2-CG 4.31Å; I262-R266 VanDerWaalsContact O-CB 3.29Å; I262-R266 WeakPolarHBondContact O-CB 3.34Å; I262-R266 VanDerWaalsContact O-CG 3.24Å; I262-R266 WeakPolarHBondContact O-CG 3.21Å; I262-R266 PolarHBondContact O-N 2.66Å; L263-R266 PolarHBondContact O-N 2.81Å; R266-A270 WeakPolarHBondContact O-CB 3.44Å; R266-A270 PolarHBondContact O-N 3.36Å; R266-A270 VanDerWaalsContact O-N 3.09Å; R266-Y278 HydrophobicContact CB-CD1 4.28Å; R266-Y278 HydrophobicContact CB-CD2 3.58Å; R266-Y278 HydrophobicContact CB-CE2 3.96Å; R266-Y278 HydrophobicContact CB-CG 3.75Å; R266-Y278 HydrophobicContact CG-CD1 4.39Å; R266-Y278 HydrophobicContact CG-CD2 3.93Å; R266-Y278 HydrophobicContact CG-CE1 4.26Å; R266-Y278 HydrophobicContact CG-CE2 3.75Å; R266-Y278 HydrophobicContact CG-CG 4.23Å; R266-Y278 VanDerWaalsContact O-CD2 3.31Å; R266-Y278 WeakPolarHBondContact O-CD2 3.46Å; R266-I592 VanDerWaalsContact CZ-O 3.25Å; R266-I592 PolarHBondContact NH1-O 2.91Å; R266-I592 PolarHBondContact NH2-O 3.46Å; R266-A598 VanDerWaalsContact CZ-CB 3.46Å; R266-A598 VanDerWaalsContact NH1-CB 3.27Å
267H95.9Very high96.8Very high54 Ų5451.8 Ų51.825%0.2527%0.27CS..Hα-helixtrans-63.9-47.6176-176.271.2000111.5L263 A264 L265 L269 A270 Q271L263-H267 WeakPolarHBondContact O-CB 3.38Å; L263-H267 PolarHBondContact O-N 3.48Å; A264-H267 PolarHBondContact O-N 3.43Å; L265-H267 VanDerWaalsContact C-N 3.35Å; H267-L269 PolarHBondContact O-N 3.32Å; H267-A270 PolarHBondContact O-N 3.05Å; H267-Q271 PolarHBondContact NE2-NE2 2.97Å; H267-Q271 WeakPolarHBondContact O-CG 3.35Å; H267-Q271 PolarHBondContact O-N 3.48Å
268E97.5Very high96.7Very high61 Ų6145.6 Ų45.629%0.28524%0.243SC..Hα-helixtrans-59.1-46.4176.9-172.6-176.3167.700111.7R151 I155 A264 L265 A270 Q271 L272R151-E268 IonicContact CZ-OE1 3.15Å; R151-E268 IonicContact CZ-OE2 2.85Å; R151-E268 IonicContact NE-OE1 3.37Å; R151-E268 PolarHBondContact NE-OE1 3.08Å; R151-E268 IonicContact NE-OE2 3.51Å; R151-E268 IonicContact NH2-OE1 3.86Å; R151-E268 PolarHBondContact NH2-OE1 3.25Å; R151-E268 IonicContact NH2-OE2 3.07Å; R151-E268 PolarHBondContact NH2-OE2 3.49Å; I155-E268 HydrophobicContact CD1-CB 4.22Å; I155-E268 HydrophobicContact CD1-CG 3.84Å; A264-E268 WeakPolarHBondContact O-CB 3.43Å; A264-E268 PolarHBondContact O-N 3.26Å; L265-E268 PolarHBondContact O-N 2.87Å; E268-A270 VanDerWaalsContact C-N 3.31Å; E268-A270 PolarHBondContact O-N 3.43Å; E268-Q271 PolarHBondContact O-N 2.65Å; E268-L272 HydrophobicContact CG-CD1 4.4Å; E268-L272 WeakPolarHBondContact O-CG 3.34Å; E268-L272 PolarHBondContact O-N 2.83Å
269L97.7Very high96.5Very high9 Ų945.3 Ų45.35%0.04724%0.241CC..Hα-helixtrans-60.1-41.2178.5-174.9143000112Y152 I155 L159 L265 H267 L272 L273 K281Y152-L269 HydrophobicContact CD2-CD1 4.15Å; Y152-L269 HydrophobicContact CD2-CG 4.15Å; Y152-L269 HydrophobicContact CE2-CD1 3.92Å; Y152-L269 HydrophobicContact CE2-CD2 4.23Å; Y152-L269 HydrophobicContact CE2-CG 3.99Å; I155-L269 HydrophobicContact CB-CD1 4.36Å; I155-L269 HydrophobicContact CG2-CB 3.96Å; I155-L269 HydrophobicContact CG2-CD1 3.78Å; I155-L269 HydrophobicContact CG2-CG 4.49Å; L159-L269 HydrophobicContact CD1-CD1 4.29Å; L265-L269 VanDerWaalsContact O-CB 3.28Å; L265-L269 WeakPolarHBondContact O-CB 3.35Å; L265-L269 PolarHBondContact O-N 2.78Å; H267-L269 PolarHBondContact O-N 3.32Å; L269-L272 PolarHBondContact O-N 3.32Å; L269-L273 HydrophobicContact CD2-CD1 3.94Å; L269-L273 WeakPolarHBondContact O-CG 3.3Å; L269-L273 PolarHBondContact O-N 3.27Å; L269-K281 HydrophobicContact CD2-CD 4.45Å
270A97.3Very high96.5Very high0 Ų047.8 Ų47.80%025%0.251CS..Hα-helixtrans-63.4-45.417600000112R266 H267 E268 L272 L273 G274 F275 N277 K281R266-A270 WeakPolarHBondContact O-CB 3.44Å; R266-A270 PolarHBondContact O-N 3.36Å; R266-A270 VanDerWaalsContact O-N 3.09Å; H267-A270 PolarHBondContact O-N 3.05Å; E268-A270 VanDerWaalsContact C-N 3.31Å; E268-A270 PolarHBondContact O-N 3.43Å; A270-L272 VanDerWaalsContact C-N 3.34Å; A270-L272 PolarHBondContact O-N 2.85Å; A270-L273 PolarHBondContact O-N 3.32Å; A270-G274 PolarHBondContact O-N 3.23Å; A270-F275 CarbonylContact C-O 3.48Å; A270-F275 HydrophobicContact CB-CB 4.18Å; A270-F275 WeakPolarHBondContact O-CB 3.31Å; A270-F275 PolarHBondContact O-N 2.82Å; A270-N277 WeakPolarHBondContact CB-O 3.44Å; A270-K281 HydrophobicContact CB-CB 4.14Å
271Q97.3Very high96.6Very high110 Ų11043.4 Ų43.451%0.51423%0.23SC..Hα-helixtrans-64.4-37.2176.9-72-175.7-2800112.8H267 E268 L273 G274 F275H267-Q271 PolarHBondContact NE2-NE2 2.97Å; H267-Q271 WeakPolarHBondContact O-CG 3.35Å; H267-Q271 PolarHBondContact O-N 3.48Å; E268-Q271 PolarHBondContact O-N 2.65Å; Q271-L273 PolarHBondContact O-N 2.85Å; Q271-G274 PolarHBondContact O-N 2.75Å; Q271-F275 WeakPolarHBondContact CA-O 3.27Å
272L97.2Very high96.5Very high24 Ų2440.5 Ų40.513%0.12622%0.217CC..Hα-helixtrans-57.5-41.1174.7-77.8173.2000111.3L144 K148 R151 I155 E268 L269 A270 G274L144-L272 HydrophobicContact CD1-CB 4.43Å; L144-L272 WeakPolarHBondContact CD2-O 3.36Å; K148-L272 HydrophobicContact CB-CD2 4.2Å; K148-L272 HydrophobicContact CD-CD2 3.99Å; K148-L272 HydrophobicContact CG-CD2 4.04Å; R151-L272 HydrophobicContact CB-CD1 4.38Å; R151-L272 HydrophobicContact CG-CD1 3.91Å; I155-L272 HydrophobicContact CD1-CD1 3.5Å; E268-L272 HydrophobicContact CG-CD1 4.4Å; E268-L272 WeakPolarHBondContact O-CG 3.34Å; E268-L272 PolarHBondContact O-N 2.83Å; L269-L272 PolarHBondContact O-N 3.32Å; A270-L272 VanDerWaalsContact C-N 3.34Å; A270-L272 PolarHBondContact O-N 2.85Å; L272-G274 VanDerWaalsContact C-N 3.27Å; L272-G274 PolarHBondContact O-N 3.37Å
273L97.3Very high96.5Very high31 Ų3140.9 Ų40.916%0.16222%0.219CC..THydrogen-bonded Turntrans-80-1.6177.8-63.7174.5000114.1L139 L144 Y152 L269 A270 Q271 F275 K281L139-L273 WeakPolarHBondContact O-CD1 3.45Å; L144-L273 HydrophobicContact CD1-CD2 4.2Å; Y152-L273 HydrophobicContact CD2-CD2 4.16Å; Y152-L273 HydrophobicContact CD2-CG 4.48Å; Y152-L273 HydrophobicContact CE2-CD1 4.14Å; Y152-L273 HydrophobicContact CE2-CD2 4.02Å; Y152-L273 HydrophobicContact CE2-CG 4.29Å; L269-L273 HydrophobicContact CD2-CD1 3.94Å; L269-L273 WeakPolarHBondContact O-CG 3.3Å; L269-L273 PolarHBondContact O-N 3.27Å; A270-L273 PolarHBondContact O-N 3.32Å; Q271-L273 PolarHBondContact O-N 2.85Å; L273-F275 HydrophobicContact CB-CD2 3.7Å; L273-F275 HydrophobicContact CB-CE2 3.86Å; L273-F275 HydrophobicContact CD1-CD2 4.41Å; L273-F275 HydrophobicContact CD1-CE2 4.23Å; L273-K281 HydrophobicContact CD1-CG 4.08Å
274G96.4Very high96.6Very high68 Ų6840.9 Ų40.970%0.70123%0.225SC*.THydrogen-bonded Turntrans86.49.7179.500000115.1A270 Q271 L272A270-G274 PolarHBondContact O-N 3.23Å; Q271-G274 PolarHBondContact O-N 2.75Å; L272-G274 VanDerWaalsContact C-N 3.27Å; L272-G274 PolarHBondContact O-N 3.37Å
275F96.6Very high96.6Very high56 Ų5640 Ų4025%0.24621%0.214CC..  trans-83.4148.5170.3-61.9-75.2000110.8L139 A270 Q271 L273 N277 F280 K281 A284L139-F275 HydrophobicContact CD2-CE2 3.76Å; L139-F275 HydrophobicContact CD2-CZ 3.74Å; A270-F275 CarbonylContact C-O 3.48Å; A270-F275 HydrophobicContact CB-CB 4.18Å; A270-F275 WeakPolarHBondContact O-CB 3.31Å; A270-F275 PolarHBondContact O-N 2.82Å; Q271-F275 WeakPolarHBondContact CA-O 3.27Å; L273-F275 HydrophobicContact CB-CD2 3.7Å; L273-F275 HydrophobicContact CB-CE2 3.86Å; L273-F275 HydrophobicContact CD1-CD2 4.41Å; L273-F275 HydrophobicContact CD1-CE2 4.23Å; F275-N277 VanDerWaalsContact C-N 3.3Å; F275-N277 PolarHBondContact O-N 2.8Å; F275-F280 HydrophobicContact CB-CB 4.04Å; F275-F280 HydrophobicContact CD1-CB 3.84Å; F275-F280 HydrophobicContact CG-CB 4.29Å; F275-K281 HydrophobicContact CB-CB 4.4Å; F275-K281 HydrophobicContact CD2-CB 3.67Å; F275-K281 HydrophobicContact CD2-CG 3.93Å; F275-K281 HydrophobicContact CE2-CB 4.08Å; F275-K281 HydrophobicContact CE2-CG 3.99Å; F275-K281 HydrophobicContact CG-CB 4.03Å; F275-A284 HydrophobicContact CE1-CB 4.38Å; F275-A284 HydrophobicContact CZ-CB 4.12Å
276E94Very high96.5Very high139 Ų13940.8 Ų40.865%0.6522%0.217SC*.SBendtrans-62.4-39.6177.4-176.6179.9161.200112.1F280E276-F280 HydrophobicContact CB-CD2 3.84Å; E276-F280 HydrophobicContact CB-CE2 3.89Å; E276-F280 HydrophobicContact CG-CE2 4.42Å; E276-F280 WeakPolarHBondContact OE2-CE2 3.43Å
277N93.4Very high96.5Very high8 Ų841.4 Ų41.44%0.04322%0.221CC..SBendtrans-159.2177.1179.562.853.6000111.4A270 F275 A279 F280 K281 H562A270-N277 WeakPolarHBondContact CB-O 3.44Å; F275-N277 VanDerWaalsContact C-N 3.3Å; F275-N277 PolarHBondContact O-N 2.8Å; N277-A279 VanDerWaalsContact C-N 3.28Å; N277-A279 PolarHBondContact O-N 3.49Å; N277-A279 VanDerWaalsContact OD1-CB 3.3Å; N277-A279 WeakPolarHBondContact OD1-CB 3.4Å; N277-A279 PolarHBondContact OD1-N 3.01Å; N277-F280 PolarHBondContact O-N 3.38Å; N277-F280 PolarHBondContact OD1-N 3.1Å; N277-K281 PolarHBondContact O-N 2.94Å; N277-H562 VanDerWaalsContact CB-O 3.26Å; N277-H562 WeakPolarHBondContact CB-O 3.11Å
278Y95.6Very high96.5Very high35 Ų3539 Ų3914%0.13721%0.21CC..Hα-helixtrans-67.1-25.1-174.8-168.1-102.9000113.9R266 K281 S282 H562 A598 A599R266-Y278 HydrophobicContact CB-CD1 4.28Å; R266-Y278 HydrophobicContact CB-CD2 3.58Å; R266-Y278 HydrophobicContact CB-CE2 3.96Å; R266-Y278 HydrophobicContact CB-CG 3.75Å; R266-Y278 HydrophobicContact CG-CD1 4.39Å; R266-Y278 HydrophobicContact CG-CD2 3.93Å; R266-Y278 HydrophobicContact CG-CE1 4.26Å; R266-Y278 HydrophobicContact CG-CE2 3.75Å; R266-Y278 HydrophobicContact CG-CG 4.23Å; R266-Y278 VanDerWaalsContact O-CD2 3.31Å; R266-Y278 WeakPolarHBondContact O-CD2 3.46Å; Y278-K281 HydrophobicContact CD2-CD 4.36Å; Y278-K281 HydrophobicContact CE2-CD 4.01Å; Y278-K281 PolarHBondContact O-N 3.4Å; Y278-S282 VanDerWaalsContact O-CB 3.29Å; Y278-S282 WeakPolarHBondContact O-CB 3.35Å; Y278-S282 PolarHBondContact O-N 3.46Å; Y278-H562 AromaticContact CD1-CE1 3.83Å; Y278-H562 AromaticContact CD1-ND1 3.88Å; Y278-A598 HydrophobicContact CE1-CB 3.84Å; Y278-A599 HydrophobicContact CD1-CB 4.12Å
279A95.3Very high96.3Very high0 Ų043.8 Ų43.80%023%0.233CC..Hα-helixtrans-64.1-45.3175.800000111N277 K281 S282 L283 P291 F559 H562 I563 A599N277-A279 VanDerWaalsContact C-N 3.28Å; N277-A279 PolarHBondContact O-N 3.49Å; N277-A279 VanDerWaalsContact OD1-CB 3.3Å; N277-A279 WeakPolarHBondContact OD1-CB 3.4Å; N277-A279 PolarHBondContact OD1-N 3.01Å; A279-K281 PolarHBondContact O-N 3.17Å; A279-S282 WeakPolarHBondContact O-CB 3.45Å; A279-S282 PolarHBondContact O-N 3.23Å; A279-S282 VanDerWaalsContact O-N 3.17Å; A279-L283 WeakPolarHBondContact O-CG 3.26Å; A279-L283 PolarHBondContact O-N 3.43Å; A279-P291 HydrophobicContact CB-CG 4.17Å; A279-F559 HydrophobicContact CB-CE1 4.21Å; A279-F559 HydrophobicContact CB-CE2 4.22Å; A279-F559 HydrophobicContact CB-CZ 3.93Å; A279-H562 HydrophobicContact CB-CB 4.4Å; A279-I563 HydrophobicContact CB-CD1 4.39Å; A279-I563 HydrophobicContact CB-CG1 4.25Å; A279-A599 HydrophobicContact CB-CB 4.13Å
280F96.7Very high96.2Very high70 Ų7046.1 Ų46.131%0.30725%0.245SC..Hα-helixtrans-58.8-44.4173.6-78.1-82.8000112.6F275 E276 N277 S282 L283 A284 P291F275-F280 HydrophobicContact CB-CB 4.04Å; F275-F280 HydrophobicContact CD1-CB 3.84Å; F275-F280 HydrophobicContact CG-CB 4.29Å; E276-F280 HydrophobicContact CB-CD2 3.84Å; E276-F280 HydrophobicContact CB-CE2 3.89Å; E276-F280 HydrophobicContact CG-CE2 4.42Å; E276-F280 WeakPolarHBondContact OE2-CE2 3.43Å; N277-F280 PolarHBondContact O-N 3.38Å; N277-F280 PolarHBondContact OD1-N 3.1Å; F280-S282 VanDerWaalsContact C-N 3.32Å; F280-S282 PolarHBondContact O-N 3.35Å; F280-L283 PolarHBondContact O-N 3.43Å; F280-A284 PolarHBondContact O-N 2.83Å; F280-P291 HydrophobicContact CD1-CG 3.85Å; F280-P291 HydrophobicContact CD2-CG 3.73Å; F280-P291 HydrophobicContact CE1-CG 3.83Å; F280-P291 HydrophobicContact CE2-CG 3.72Å; F280-P291 HydrophobicContact CG-CG 3.81Å; F280-P291 HydrophobicContact CZ-CG 3.76Å
281K96.8Very high96.1Very high43 Ų4346.5 Ų46.519%0.18725%0.247CC..Hα-helixtrans-60.3-43.8175.4-174.8-88.3172.7-160.10111.3L269 A270 L273 F275 N277 Y278 A279 L283 A284L269-K281 HydrophobicContact CD2-CD 4.45Å; A270-K281 HydrophobicContact CB-CB 4.14Å; L273-K281 HydrophobicContact CD1-CG 4.08Å; F275-K281 HydrophobicContact CB-CB 4.4Å; F275-K281 HydrophobicContact CD2-CB 3.67Å; F275-K281 HydrophobicContact CD2-CG 3.93Å; F275-K281 HydrophobicContact CE2-CB 4.08Å; F275-K281 HydrophobicContact CE2-CG 3.99Å; F275-K281 HydrophobicContact CG-CB 4.03Å; N277-K281 PolarHBondContact O-N 2.94Å; Y278-K281 HydrophobicContact CD2-CD 4.36Å; Y278-K281 HydrophobicContact CE2-CD 4.01Å; Y278-K281 PolarHBondContact O-N 3.4Å; A279-K281 PolarHBondContact O-N 3.17Å; K281-L283 VanDerWaalsContact C-N 3.32Å; K281-L283 PolarHBondContact O-N 2.99Å; K281-A284 WeakPolarHBondContact O-CB 3.41Å; K281-A284 PolarHBondContact O-N 3.38Å
282S97Very high95.9Very high6 Ų646.2 Ų46.24%0.04225%0.246CC..Hα-helixtrans-64-38.2-177.8-169.60000111.8Y278 A279 F280 A284 T285 K286 A598 A599Y278-S282 VanDerWaalsContact O-CB 3.29Å; Y278-S282 WeakPolarHBondContact O-CB 3.35Å; Y278-S282 PolarHBondContact O-N 3.46Å; A279-S282 WeakPolarHBondContact O-CB 3.45Å; A279-S282 PolarHBondContact O-N 3.23Å; A279-S282 VanDerWaalsContact O-N 3.17Å; F280-S282 VanDerWaalsContact C-N 3.32Å; F280-S282 PolarHBondContact O-N 3.35Å; S282-A284 VanDerWaalsContact C-N 3.35Å; S282-A284 PolarHBondContact O-N 3.09Å; S282-T285 PolarHBondContact O-OG1 3.32Å; S282-K286 PolarHBondContact O-NZ 2.97Å; S282-K286 PolarHBondContact OG-NZ 3.41Å; S282-A598 PolarHBondContact OG-O 3.27Å; S282-A599 PolarHBondContact OG-O 2.99Å; S282-A599 VanDerWaalsContact OG-O 3.12Å
283L97.2Very high95.9Very high9 Ų948.2 Ų48.25%0.04726%0.255CS..Hα-helixtrans-73.5-19.5179.9-68.1-169.8000114.6A279 F280 K281 T285 K286 A288 N290 P291 V294 F559 Y602A279-L283 WeakPolarHBondContact O-CG 3.26Å; A279-L283 PolarHBondContact O-N 3.43Å; F280-L283 PolarHBondContact O-N 3.43Å; K281-L283 VanDerWaalsContact C-N 3.32Å; K281-L283 PolarHBondContact O-N 2.99Å; L283-T285 PolarHBondContact O-N 3.46Å; L283-K286 HydrophobicContact CD2-CB 4.32Å; L283-K286 HydrophobicContact CD2-CD 3.88Å; L283-K286 PolarHBondContact O-N 3.46Å; L283-A288 HydrophobicContact CD1-CB 4.43Å; L283-A288 HydrophobicContact CD2-CB 4.04Å; L283-N290 WeakPolarHBondContact CD1-O 3.48Å; L283-P291 HydrophobicContact CD1-CG 4.13Å; L283-V294 HydrophobicContact CD1-CG2 4.18Å; L283-V294 HydrophobicContact CD2-CG2 4.18Å; L283-F559 HydrophobicContact CD1-CZ 4.16Å; L283-F559 HydrophobicContact CD2-CE2 4.33Å; L283-F559 HydrophobicContact CD2-CZ 4.42Å; L283-F559 HydrophobicContact CG-CZ 4.39Å; L283-Y602 HydrophobicContact CD2-CE1 3.89Å; L283-Y602 WeakPolarHBondContact CD2-OH 3.35Å
284A97Very high95.8Very high42 Ų4246.7 Ų46.735%0.34725%0.247SC..THydrogen-bonded Turntrans-59.8-9.3-178.900000115.1L139 F275 F280 K281 S282L139-A284 HydrophobicContact CD1-CB 4.33Å; L139-A284 HydrophobicContact CD2-CB 3.99Å; F275-A284 HydrophobicContact CE1-CB 4.38Å; F275-A284 HydrophobicContact CZ-CB 4.12Å; F280-A284 PolarHBondContact O-N 2.83Å; K281-A284 WeakPolarHBondContact O-CB 3.41Å; K281-A284 PolarHBondContact O-N 3.38Å; S282-A284 VanDerWaalsContact C-N 3.35Å; S282-A284 PolarHBondContact O-N 3.09Å
285T96.5Very high95.7Very high42 Ų4244.3 Ų44.326%0.25822%0.218SC..THydrogen-bonded Turntrans-122.58179.159.80000113L139 S282 L283L139-T285 HydrophobicContact CD1-CG2 3.48Å; L139-T285 VanDerWaalsContact CD1-CG2 3.48Å; S282-T285 PolarHBondContact O-OG1 3.32Å; L283-T285 PolarHBondContact O-N 3.46Å
286K97.1Very high95.6Very high30 Ų3045.7 Ų45.713%0.1323%0.228CC..SBendtrans-115.5169.7-172.9-70.4-176179.564.40110.6S282 L283 W495 D496 Y602S282-K286 PolarHBondContact O-NZ 2.97Å; S282-K286 PolarHBondContact OG-NZ 3.41Å; L283-K286 HydrophobicContact CD2-CB 4.32Å; L283-K286 HydrophobicContact CD2-CD 3.88Å; L283-K286 PolarHBondContact O-N 3.46Å; K286-W495 HydrophobicContact CG-CB 4.24Å; K286-D496 WeakPolarHBondContact CA-OD1 3.29Å; K286-D496 WeakPolarHBondContact CB-OD1 3.34Å; K286-D496 WeakPolarHBondContact CB-OD2 3.48Å; K286-D496 HydrophobicContact CD-CB 4.46Å; K286-Y602 HydrophobicContact CD-CE1 4.34Å; K286-Y602 WeakPolarHBondContact CD-OH 3.4Å
287M95.9Very high95.7Very high33 Ų3340.6 Ų40.616%0.16320%0.204CC..SBendtrans-70.4-38.7175.2-55.9172.26700112.2E289 P494 D496 A497 L610 P645 M646M287-E289 PolarHBondContact O-N 3.12Å; M287-P494 HydrophobicContact CG-CB 4.09Å; M287-D496 WeakPolarHBondContact CA-OD2 3.49Å; M287-D496 VanDerWaalsContact CB-OD2 3.22Å; M287-D496 WeakPolarHBondContact CB-OD2 3.18Å; M287-D496 WeakPolarHBondContact CG-OD1 3.36Å; M287-D496 PolarHBondContact N-OD1 3.25Å; M287-D496 PolarHBondContact N-OD2 2.9Å; M287-A497 HydrophobicContact SD-CB 3.75Å; M287-L610 HydrophobicContact CE-CD1 4.48Å; M287-L610 HydrophobicContact SD-CD1 4.18Å; M287-P645 HydrophobicContact CE-CB 4.05Å; M287-P645 HydrophobicContact CG-CB 4.27Å; M287-P645 HydrophobicContact CG-CG 4.15Å; M287-P645 HydrophobicContact SD-CB 3.73Å; M287-P645 HydrophobicContact SD-CG 4.17Å; M287-M646 HydrophobicContact CE-CB 4.04Å; M287-M646 HydrophobicContact CE-CE 3.92Å
288A96.2Very high95.8Very high2 Ų240.2 Ų40.22%0.01720%0.202CC..  trans-65.2128.1179.600000111.2L283 V294 D496 Y602 W606L283-A288 HydrophobicContact CD1-CB 4.43Å; L283-A288 HydrophobicContact CD2-CB 4.04Å; A288-V294 HydrophobicContact CB-CG2 3.66Å; A288-D496 PolarHBondContact N-OD2 3.29Å; A288-Y602 HydrophobicContact CB-CE2 4.31Å; A288-Y602 VanDerWaalsContact CB-OH 3.32Å; A288-Y602 WeakPolarHBondContact CB-OH 3.49Å; A288-W606 HydrophobicContact CB-CH2 4.3Å
289E94Very high95.6Very high163 Ų16339.8 Ų39.876%0.76220%0.203SC*.  trans-77.8-30.5-169.3-61.1-178.8168.600112.7M287M287-E289 PolarHBondContact O-N 3.12Å
290N94.9Very high95.6Very high57 Ų5742.3 Ų42.331%0.30522%0.216SC..SBendtrans-159.9162.2-177.565.276.8000112.5L283 Q292 Q293L283-N290 WeakPolarHBondContact CD1-O 3.48Å; N290-Q292 VanDerWaalsContact C-N 3.28Å; N290-Q292 PolarHBondContact O-N 3.49Å; N290-Q292 WeakPolarHBondContact OD1-CA 3.33Å; N290-Q292 VanDerWaalsContact OD1-CB 3.31Å; N290-Q292 WeakPolarHBondContact OD1-CB 3.3Å; N290-Q292 PolarHBondContact OD1-N 3.14Å; N290-Q293 WeakPolarHBondContact O-CB 3.14Å; N290-Q293 PolarHBondContact O-N 3.44Å; N290-Q293 PolarHBondContact OD1-N 2.93Å
291P94.9Very high95.5Very high8 Ų839 Ų395%0.05220%0.202CC..Hα-helixtrans-60-31.6-178.5-29.439.1000114.9A279 F280 L283 Q293 V294 L295 F559 I563A279-P291 HydrophobicContact CB-CG 4.17Å; F280-P291 HydrophobicContact CD1-CG 3.85Å; F280-P291 HydrophobicContact CD2-CG 3.73Å; F280-P291 HydrophobicContact CE1-CG 3.83Å; F280-P291 HydrophobicContact CE2-CG 3.72Å; F280-P291 HydrophobicContact CG-CG 3.81Å; F280-P291 HydrophobicContact CZ-CG 3.76Å; L283-P291 HydrophobicContact CD1-CG 4.13Å; P291-Q293 VanDerWaalsContact C-N 3.34Å; P291-Q293 PolarHBondContact O-N 2.88Å; P291-V294 PolarHBondContact O-N 3.45Å; P291-L295 WeakPolarHBondContact O-CG 3.36Å; P291-L295 PolarHBondContact O-N 2.86Å; P291-F559 HydrophobicContact CB-CE1 3.73Å; P291-F559 HydrophobicContact CB-CZ 4.09Å; P291-I563 HydrophobicContact CB-CD1 4.26Å
292Q94.5Very high95.3Very high105 Ų10537.3 Ų37.349%0.49120%0.195SC..Hα-helixtrans-66.2-38.9179.9-172.261.650.500111.2N290 V294 L295 D296N290-Q292 VanDerWaalsContact C-N 3.28Å; N290-Q292 PolarHBondContact O-N 3.49Å; N290-Q292 WeakPolarHBondContact OD1-CA 3.33Å; N290-Q292 VanDerWaalsContact OD1-CB 3.31Å; N290-Q292 WeakPolarHBondContact OD1-CB 3.3Å; N290-Q292 PolarHBondContact OD1-N 3.14Å; Q292-V294 VanDerWaalsContact C-N 3.31Å; Q292-V294 PolarHBondContact O-N 3.1Å; Q292-L295 PolarHBondContact O-N 3.39Å; Q292-D296 PolarHBondContact NE2-OD1 3.39Å; Q292-D296 WeakPolarHBondContact O-CB 3.22Å; Q292-D296 VanDerWaalsContact O-CG 3.23Å; Q292-D296 PolarHBondContact O-N 3.36Å
293Q96.6Very high95.2Very high65 Ų6544 Ų4430%0.30422%0.224SC..Hα-helixtrans-58.4-43175.7-172.5-177.621.600111.9N290 P291 D296 F297 W606N290-Q293 WeakPolarHBondContact O-CB 3.14Å; N290-Q293 PolarHBondContact O-N 3.44Å; N290-Q293 PolarHBondContact OD1-N 2.93Å; P291-Q293 VanDerWaalsContact C-N 3.34Å; P291-Q293 PolarHBondContact O-N 2.88Å; Q293-D296 PolarHBondContact O-N 3.23Å; Q293-F297 WeakPolarHBondContact O-CB 3.32Å; Q293-F297 PolarHBondContact O-N 3.04Å; Q293-W606 HydrophobicContact CG-CH2 4.19Å
294V96.1Very high95.1Very high0 Ų047.2 Ų47.20%024%0.235CC..Hα-helixtrans-65.8-44.3176.7177.80000111.1L283 A288 P291 Q292 F297 L298 F559 Y602L283-V294 HydrophobicContact CD1-CG2 4.18Å; L283-V294 HydrophobicContact CD2-CG2 4.18Å; A288-V294 HydrophobicContact CB-CG2 3.66Å; P291-V294 PolarHBondContact O-N 3.45Å; Q292-V294 VanDerWaalsContact C-N 3.31Å; Q292-V294 PolarHBondContact O-N 3.1Å; V294-F297 PolarHBondContact O-N 3.03Å; V294-L298 HydrophobicContact CG1-CD1 3.96Å; V294-L298 HydrophobicContact CG1-CG 4.38Å; V294-L298 WeakPolarHBondContact O-CG 3.4Å; V294-L298 PolarHBondContact O-N 3.16Å; V294-F559 HydrophobicContact CB-CD1 4.38Å; V294-F559 HydrophobicContact CB-CE1 3.75Å; V294-F559 HydrophobicContact CB-CE2 4.22Å; V294-F559 HydrophobicContact CB-CZ 3.67Å; V294-F559 HydrophobicContact CG1-CD1 4.03Å; V294-F559 HydrophobicContact CG1-CD2 4.01Å; V294-F559 HydrophobicContact CG1-CE1 3.85Å; V294-F559 HydrophobicContact CG1-CE2 3.87Å; V294-F559 HydrophobicContact CG1-CG 4.1Å; V294-F559 HydrophobicContact CG1-CZ 3.78Å; V294-F559 HydrophobicContact CG2-CE1 4.36Å; V294-F559 HydrophobicContact CG2-CE2 4.2Å; V294-F559 HydrophobicContact CG2-CZ 3.78Å; V294-Y602 HydrophobicContact CG1-CD1 3.58Å; V294-Y602 HydrophobicContact CG1-CD2 3.86Å; V294-Y602 HydrophobicContact CG1-CE1 4.07Å; V294-Y602 HydrophobicContact CG1-CE2 4.35Å; V294-Y602 HydrophobicContact CG1-CG 3.45Å; V294-Y602 VanDerWaalsContact CG1-CG 3.45Å; V294-Y602 HydrophobicContact CG2-CD1 4.27Å; V294-Y602 HydrophobicContact CG2-CD2 4.25Å; V294-Y602 HydrophobicContact CG2-CE1 3.89Å; V294-Y602 HydrophobicContact CG2-CE2 3.91Å; V294-Y602 HydrophobicContact CG2-CG 4.43Å
295L93.4Very high94.9Very high17 Ų1745.3 Ų45.39%0.08922%0.219CC..Hα-helixtrans-64.8-40178-69.8174.8000112P291 Q292 T299 L556 F559 R560 I563P291-L295 WeakPolarHBondContact O-CG 3.36Å; P291-L295 PolarHBondContact O-N 2.86Å; Q292-L295 PolarHBondContact O-N 3.39Å; L295-T299 VanDerWaalsContact O-CB 3.27Å; L295-T299 WeakPolarHBondContact O-CB 3.29Å; L295-T299 WeakPolarHBondContact O-CG2 3.38Å; L295-T299 PolarHBondContact O-N 3.25Å; L295-T299 PolarHBondContact O-OG1 2.64Å; L295-L556 HydrophobicContact CD2-CD2 4.35Å; L295-F559 HydrophobicContact CD2-CD1 4.01Å; L295-F559 HydrophobicContact CG-CD1 4.2Å; L295-F559 HydrophobicContact CG-CE1 4.38Å; L295-R560 HydrophobicContact CD2-CG 4.1Å; L295-I563 HydrophobicContact CD1-CD1 4.19Å
296D94.8Very high94.8Very high86 Ų8647.3 Ų47.346%0.4622%0.222SC..Hα-helixtrans-63.6-45.3176.3-72.4-17.2000110.6Q292 Q293 T299 D300Q292-D296 PolarHBondContact NE2-OD1 3.39Å; Q292-D296 WeakPolarHBondContact O-CB 3.22Å; Q292-D296 VanDerWaalsContact O-CG 3.23Å; Q292-D296 PolarHBondContact O-N 3.36Å; Q293-D296 PolarHBondContact O-N 3.23Å; D296-T299 PolarHBondContact O-N 3.46Å; D296-T299 PolarHBondContact O-OG1 2.96Å; D296-D300 VanDerWaalsContact O-CB 3.32Å; D296-D300 WeakPolarHBondContact O-CB 3.29Å; D296-D300 PolarHBondContact O-N 3.25Å
297F96Very high94.7Very high32 Ų3249.9 Ų49.914%0.1424%0.242CC..Hα-helixtrans-57.8-54.7174.7170.1-110000112.5Q293 V294 T299 D300 L301 L605 W606 V609 L659Q293-F297 WeakPolarHBondContact O-CB 3.32Å; Q293-F297 PolarHBondContact O-N 3.04Å; V294-F297 PolarHBondContact O-N 3.03Å; F297-T299 VanDerWaalsContact C-N 3.32Å; F297-T299 PolarHBondContact O-N 3.33Å; F297-D300 PolarHBondContact O-N 3.2Å; F297-L301 HydrophobicContact CD2-CD1 4.3Å; F297-L301 HydrophobicContact CE1-CD1 3.87Å; F297-L301 HydrophobicContact CE2-CD1 3.6Å; F297-L301 HydrophobicContact CE2-CG 4.17Å; F297-L301 HydrophobicContact CZ-CD1 3.36Å; F297-L301 HydrophobicContact CZ-CG 4.39Å; F297-L301 PolarHBondContact O-N 2.83Å; F297-L605 HydrophobicContact CE1-CB 4.04Å; F297-L605 HydrophobicContact CZ-CB 4.16Å; F297-W606 HydrophobicContact CB-CE3 4.36Å; F297-W606 HydrophobicContact CB-CZ3 4.04Å; F297-W606 AromaticContact CD1-CE3 3.7Å; F297-W606 HydrophobicContact CD1-CE3 3.7Å; F297-W606 HydrophobicContact CD1-CZ3 4.24Å; F297-W606 HydrophobicContact CD2-CE3 4.36Å; F297-W606 HydrophobicContact CE1-CB 4.17Å; F297-W606 HydrophobicContact CE1-CE3 4.02Å; F297-W606 AromaticContact CG-CE3 3.88Å; F297-W606 HydrophobicContact CG-CE3 3.88Å; F297-W606 HydrophobicContact CG-CZ3 4.02Å; F297-W606 HydrophobicContact CZ-CB 4.48Å; F297-W606 HydrophobicContact CZ-CE3 4.47Å; F297-V609 HydrophobicContact CE2-CG2 3.94Å; F297-V609 HydrophobicContact CZ-CG2 4.07Å; F297-L659 HydrophobicContact CE2-CD1 4.31Å
298L94.8Very high94.7Very high0 Ų050.5 Ų50.50%024%0.244CC..Hα-helixtrans-63.3-38.6-179-68.2173.9000111.9V294 A302 L552 L556 L605V294-L298 HydrophobicContact CG1-CD1 3.96Å; V294-L298 HydrophobicContact CG1-CG 4.38Å; V294-L298 WeakPolarHBondContact O-CG 3.4Å; V294-L298 PolarHBondContact O-N 3.16Å; L298-A302 WeakPolarHBondContact O-CB 3.1Å; L298-A302 PolarHBondContact O-N 2.98Å; L298-L552 HydrophobicContact CB-CD2 4.31Å; L298-L552 HydrophobicContact CD2-CD2 3.77Å; L298-L552 WeakPolarHBondContact O-CD2 3.19Å; L298-L556 HydrophobicContact CB-CD2 3.8Å; L298-L556 HydrophobicContact CB-CG 4.2Å; L298-L556 HydrophobicContact CD1-CD2 3.89Å; L298-L556 HydrophobicContact CD1-CG 4.19Å; L298-L605 HydrophobicContact CD2-CD1 4.34Å
299T92.7Very high94.7Very high25 Ų2550.4 Ų50.415%0.15324%0.243CC..Hα-helixtrans-76-30.7-179.959.90000113L295 D296 F297 K303L295-T299 VanDerWaalsContact O-CB 3.27Å; L295-T299 WeakPolarHBondContact O-CB 3.29Å; L295-T299 WeakPolarHBondContact O-CG2 3.38Å; L295-T299 PolarHBondContact O-N 3.25Å; L295-T299 PolarHBondContact O-OG1 2.64Å; D296-T299 PolarHBondContact O-N 3.46Å; D296-T299 PolarHBondContact O-OG1 2.96Å; F297-T299 VanDerWaalsContact C-N 3.32Å; F297-T299 PolarHBondContact O-N 3.33Å; T299-K303 WeakPolarHBondContact O-CD 3.34Å; T299-K303 VanDerWaalsContact O-CG 3.23Å; T299-K303 WeakPolarHBondContact O-CG 3.45Å; T299-K303 PolarHBondContact O-N 3.21Å
300D94.4Very high94.7Very high54 Ų5446.8 Ų46.829%0.28923%0.226SC..Hα-helixtrans-64.3-48.9170.8-170.260.4000110.8D296 F297 A302 K303 R304D296-D300 VanDerWaalsContact O-CB 3.32Å; D296-D300 WeakPolarHBondContact O-CB 3.29Å; D296-D300 PolarHBondContact O-N 3.25Å; F297-D300 PolarHBondContact O-N 3.2Å; D300-A302 VanDerWaalsContact C-N 3.33Å; D300-A302 PolarHBondContact O-N 3.24Å; D300-K303 WeakPolarHBondContact O-CB 3.39Å; D300-K303 PolarHBondContact O-N 2.89Å; D300-K303 VanDerWaalsContact O-N 3.08Å; D300-R304 WeakPolarHBondContact O-CG 3.49Å; D300-R304 PolarHBondContact O-N 3.16Å; D300-R304 VanDerWaalsContact O-N 3.1Å; D300-R304 IonicContact OD1-NE 3.14Å; D300-R304 IonicContact OD1-NH2 3.3Å; D300-R304 IonicContact OD2-CZ 3.11Å; D300-R304 IonicContact OD2-NE 2.76Å; D300-R304 PolarHBondContact OD2-NE 3.39Å; D300-R304 IonicContact OD2-NH2 3.05Å; D300-R304 PolarHBondContact OD2-NH2 3.26Å
301L95.1Very high94.8Very high1 Ų150.2 Ų50.21%0.00524%0.239CC..Hα-helixtrans-58.2-43.5175-79.7-179000112.7F297 K303 R304 A305 L552 L605 L659 M662 L663F297-L301 HydrophobicContact CD2-CD1 4.3Å; F297-L301 HydrophobicContact CE1-CD1 3.87Å; F297-L301 HydrophobicContact CE2-CD1 3.6Å; F297-L301 HydrophobicContact CE2-CG 4.17Å; F297-L301 HydrophobicContact CZ-CD1 3.36Å; F297-L301 HydrophobicContact CZ-CG 4.39Å; F297-L301 PolarHBondContact O-N 2.83Å; L301-K303 VanDerWaalsContact C-N 3.32Å; L301-K303 PolarHBondContact O-N 3.12Å; L301-R304 PolarHBondContact O-N 2.53Å; L301-A305 WeakPolarHBondContact O-CB 3.43Å; L301-A305 PolarHBondContact O-N 3.2Å; L301-L552 HydrophobicContact CB-CD1 4.18Å; L301-L552 HydrophobicContact CB-CD2 3.87Å; L301-L552 HydrophobicContact CD1-CD2 4.4Å; L301-L605 HydrophobicContact CD1-CB 4.33Å; L301-L605 HydrophobicContact CD1-CD1 4.33Å; L301-L659 HydrophobicContact CD2-CD1 3.9Å; L301-L659 HydrophobicContact CD2-CD2 4.14Å; L301-L659 HydrophobicContact CD2-CG 4.43Å; L301-M662 HydrophobicContact CD1-CE 4.01Å; L301-M662 HydrophobicContact CD2-CE 3.5Å; L301-M662 VanDerWaalsContact CD2-CE 3.5Å; L301-M662 HydrophobicContact CG-CE 4.42Å; L301-L663 HydrophobicContact CD2-CD2 4.17Å
302A93.3Very high94.9Very high6 Ų650.5 Ų50.55%0.0524%0.24CC..Hα-helixtrans-59.1-42.1174.900000112.3L298 D300 R304 R306 L552 V574L298-A302 WeakPolarHBondContact O-CB 3.1Å; L298-A302 PolarHBondContact O-N 2.98Å; D300-A302 VanDerWaalsContact C-N 3.33Å; D300-A302 PolarHBondContact O-N 3.24Å; A302-R304 VanDerWaalsContact C-N 3.32Å; A302-R304 PolarHBondContact O-N 3.25Å; A302-R306 WeakPolarHBondContact O-CB 3.01Å; A302-R306 PolarHBondContact O-N 2.78Å; A302-L552 HydrophobicContact CB-CD1 4.06Å; A302-V574 HydrophobicContact CB-CG1 3.72Å
303K93.4Very high95Very high146 Ų14645.6 Ų45.664%0.63522%0.217SC*.Hα-helixtrans-62.9-38.2178-73.1164.4-170.8164.50112.1T299 D300 L301 P307T299-K303 WeakPolarHBondContact O-CD 3.34Å; T299-K303 VanDerWaalsContact O-CG 3.23Å; T299-K303 WeakPolarHBondContact O-CG 3.45Å; T299-K303 PolarHBondContact O-N 3.21Å; D300-K303 WeakPolarHBondContact O-CB 3.39Å; D300-K303 PolarHBondContact O-N 2.89Å; D300-K303 VanDerWaalsContact O-N 3.08Å; L301-K303 VanDerWaalsContact C-N 3.32Å; L301-K303 PolarHBondContact O-N 3.12Å; K303-P307 VanDerWaalsContact O-CD 3.27Å; K303-P307 WeakPolarHBondContact O-CD 3.49Å
304R94.9Very high95Very high78 Ų7845 Ų4529%0.29422%0.223SC..Hα-helixtrans-74.6-44.7-180-64.3174.3-175.9-86.13.6112.9D300 L301 A302 I668 G670D300-R304 WeakPolarHBondContact O-CG 3.49Å; D300-R304 PolarHBondContact O-N 3.16Å; D300-R304 VanDerWaalsContact O-N 3.1Å; D300-R304 IonicContact OD1-NE 3.14Å; D300-R304 IonicContact OD1-NH2 3.3Å; D300-R304 IonicContact OD2-CZ 3.11Å; D300-R304 IonicContact OD2-NE 2.76Å; D300-R304 PolarHBondContact OD2-NE 3.39Å; D300-R304 IonicContact OD2-NH2 3.05Å; D300-R304 PolarHBondContact OD2-NH2 3.26Å; L301-R304 PolarHBondContact O-N 2.53Å; A302-R304 VanDerWaalsContact C-N 3.32Å; A302-R304 PolarHBondContact O-N 3.25Å; R304-I668 HydrophobicContact CB-CG2 4.25Å; R304-G670 WeakPolarHBondContact CG-O 3.29Å; R304-G670 PolarHBondContact NH1-O 2.77Å
305A94.5Very high95.1Very high1 Ų149.4 Ų49.41%0.00824%0.243CC..Hα-helixtrans-76.9-33.5-175.700000113.1L301 Q308 G309 I548 L549 I668L301-A305 WeakPolarHBondContact O-CB 3.43Å; L301-A305 PolarHBondContact O-N 3.2Å; A305-Q308 PolarHBondContact O-N 3.36Å; A305-G309 PolarHBondContact O-N 3.42Å; A305-I548 HydrophobicContact CB-CG2 3.92Å; A305-L549 HydrophobicContact CB-CD2 4.28Å; A305-L549 HydrophobicContact CB-CG 4.3Å; A305-I668 HydrophobicContact CB-CD1 4.09Å
306R93.4Very high95.3Very high85 Ų8548.6 Ų48.632%0.32124%0.239SC..Hα-helixtrans-58.1-47.2-170179.7175.3178.1162.41.7115A302 Q308 G309 E310 L549 K572 L573 V576A302-R306 WeakPolarHBondContact O-CB 3.01Å; A302-R306 PolarHBondContact O-N 2.78Å; R306-Q308 PolarHBondContact O-N 3.48Å; R306-G309 PolarHBondContact O-N 3.46Å; R306-E310 HydrophobicContact CG-CG 4.19Å; R306-E310 IonicContact CZ-OE1 3.72Å; R306-E310 IonicContact NE-OE1 2.91Å; R306-E310 PolarHBondContact NE-OE1 3.4Å; R306-E310 IonicContact NH2-OE1 3.39Å; R306-E310 PolarHBondContact NH2-OE1 2.97Å; R306-E310 WeakPolarHBondContact O-CG 3.42Å; R306-E310 PolarHBondContact O-N 3.35Å; R306-L549 HydrophobicContact CB-CD2 4.12Å; R306-K572 PolarHBondContact NH1-O 3.08Å; R306-L573 PolarHBondContact NH1-O 2.94Å; R306-V576 HydrophobicContact CG-CG2 4.38Å
307P94.7Very high95.4Very high83 Ų8349.8 Ų49.854%0.53924%0.237SC..Hα-helixtrans-58.2-37179.1-25.535.2000112.9K303 K311K303-P307 VanDerWaalsContact O-CD 3.27Å; K303-P307 WeakPolarHBondContact O-CD 3.49Å; P307-K311 PolarHBondContact O-N 3.45Å
308Q96.5Very high95.5Very high46 Ų4651.1 Ų51.122%0.21525%0.254CS..Hα-helixtrans-72.5-44.8176.6-177.1172.9-35.900111.5A305 R306 E310 K311 E312 A545 G667A305-Q308 PolarHBondContact O-N 3.36Å; R306-Q308 PolarHBondContact O-N 3.48Å; Q308-E310 VanDerWaalsContact C-N 3.34Å; Q308-E310 PolarHBondContact O-N 3.01Å; Q308-K311 WeakPolarHBondContact O-CB 3.47Å; Q308-K311 PolarHBondContact O-N 3.32Å; Q308-K311 VanDerWaalsContact O-N 3.11Å; Q308-E312 HydrophobicContact CG-CG 4.37Å; Q308-E312 WeakPolarHBondContact CG-OE1 3.34Å; Q308-E312 PolarHBondContact NE2-OE1 2.84Å; Q308-E312 WeakPolarHBondContact O-CG 3.37Å; Q308-E312 PolarHBondContact O-N 3.34Å; Q308-A545 HydrophobicContact CB-CB 3.78Å; Q308-A545 HydrophobicContact CG-CB 3.69Å; Q308-G667 PolarHBondContact OE1-O 3.08Å
309G95.5Very high95.7Very high0 Ų052.1 Ų52.10%026%0.258CS..Hα-helixtrans-63-37.1177.900000113.5A305 R306 K311 E312 L313 L546A305-G309 PolarHBondContact O-N 3.42Å; R306-G309 PolarHBondContact O-N 3.46Å; G309-K311 VanDerWaalsContact C-N 3.32Å; G309-K311 PolarHBondContact O-N 3.11Å; G309-E312 PolarHBondContact O-N 2.86Å; G309-L313 PolarHBondContact O-N 3.06Å; G309-L546 WeakPolarHBondContact O-CD2 3.32Å
310E95Very high96Very high87 Ų8751 Ų5141%0.40725%0.251SS..Hα-helixtrans-62.8-39.8173-74.1178.3173.800111.6R306 Q308 A314 V576R306-E310 HydrophobicContact CG-CG 4.19Å; R306-E310 IonicContact CZ-OE1 3.72Å; R306-E310 IonicContact NE-OE1 2.91Å; R306-E310 PolarHBondContact NE-OE1 3.4Å; R306-E310 IonicContact NH2-OE1 3.39Å; R306-E310 PolarHBondContact NH2-OE1 2.97Å; R306-E310 WeakPolarHBondContact O-CG 3.42Å; R306-E310 PolarHBondContact O-N 3.35Å; Q308-E310 VanDerWaalsContact C-N 3.34Å; Q308-E310 PolarHBondContact O-N 3.01Å; E310-A314 VanDerWaalsContact O-CB 3.32Å; E310-A314 WeakPolarHBondContact O-CB 3.31Å; E310-A314 PolarHBondContact O-N 3.21Å; E310-V576 HydrophobicContact CG-CG1 3.97Å; E310-V576 HydrophobicContact CG-CG2 3.89Å
311K96.7Very high96.1Very high129 Ų12954 Ų5456%0.56126%0.262SS*.Hα-helixtrans-66.2-45.3174.6-178.6-175.8174.5-171.90111.7P307 Q308 G309 A314 Q315P307-K311 PolarHBondContact O-N 3.45Å; Q308-K311 WeakPolarHBondContact O-CB 3.47Å; Q308-K311 PolarHBondContact O-N 3.32Å; Q308-K311 VanDerWaalsContact O-N 3.11Å; G309-K311 VanDerWaalsContact C-N 3.32Å; G309-K311 PolarHBondContact O-N 3.11Å; K311-A314 PolarHBondContact O-N 2.91Å; K311-Q315 HydrophobicContact CG-CG 4.49Å; K311-Q315 WeakPolarHBondContact O-CB 3.39Å; K311-Q315 VanDerWaalsContact O-CG 3.26Å; K311-Q315 WeakPolarHBondContact O-CG 3.05Å; K311-Q315 PolarHBondContact O-N 3.39Å
312E97.1Very high96.3Very high15 Ų1557.6 Ų57.67%0.0729%0.292CS..Hα-helixtrans-59-46.8177.8-73168.5179.800111Q308 G309 A314 Q315 L316 Q543 A545 L546Q308-E312 HydrophobicContact CG-CG 4.37Å; Q308-E312 WeakPolarHBondContact CG-OE1 3.34Å; Q308-E312 PolarHBondContact NE2-OE1 2.84Å; Q308-E312 WeakPolarHBondContact O-CG 3.37Å; Q308-E312 PolarHBondContact O-N 3.34Å; G309-E312 PolarHBondContact O-N 2.86Å; E312-A314 PolarHBondContact O-N 3.39Å; E312-Q315 WeakPolarHBondContact O-CB 3.49Å; E312-Q315 PolarHBondContact O-N 3.32Å; E312-L316 PolarHBondContact O-N 3.28Å; E312-Q543 WeakPolarHBondContact OE2-CA 3.28Å; E312-A545 PolarHBondContact OE1-N 3.22Å; E312-A545 WeakPolarHBondContact OE2-CB 3.47Å; E312-A545 PolarHBondContact OE2-N 2.58Å; E312-L546 HydrophobicContact CB-CD1 3.94Å; E312-L546 HydrophobicContact CB-CG 4.03Å; E312-L546 PolarHBondContact OE2-N 2.86Å
313L96.1Very high96.5Very high2 Ų262.5 Ų62.51%0.0131%0.314CS..Hα-helixtrans-66.1-38.2176.4-17760.4000112.6G309 Q315 L316 R317 L329 L546 V576 V577G309-L313 PolarHBondContact O-N 3.06Å; L313-Q315 VanDerWaalsContact C-N 3.33Å; L313-L316 HydrophobicContact CD1-CD2 4.37Å; L313-L316 PolarHBondContact O-N 3.21Å; L313-R317 WeakPolarHBondContact O-CG 3.07Å; L313-R317 PolarHBondContact O-N 3.07Å; L313-L329 HydrophobicContact CD1-CD2 4.22Å; L313-L546 HydrophobicContact CB-CD1 4.42Å; L313-L546 HydrophobicContact CB-CD2 4.21Å; L313-V576 HydrophobicContact CB-CG1 4.05Å; L313-V576 HydrophobicContact CD2-CG1 3.69Å; L313-V576 WeakPolarHBondContact CD2-O 3.34Å; L313-V577 HydrophobicContact CD1-CG2 4.46Å; L313-V577 HydrophobicContact CD2-CG2 4.27Å
314A96.9Very high96.7Very high52 Ų5260 Ų6043%0.4330%0.303SS..Hα-helixtrans-64-39.5175.700000111.8E310 K311 E312 R317 A318E310-A314 VanDerWaalsContact O-CB 3.32Å; E310-A314 WeakPolarHBondContact O-CB 3.31Å; E310-A314 PolarHBondContact O-N 3.21Å; K311-A314 PolarHBondContact O-N 2.91Å; E312-A314 PolarHBondContact O-N 3.39Å; A314-R317 PolarHBondContact O-N 3.09Å; A314-A318 WeakPolarHBondContact O-CB 3.14Å; A314-A318 PolarHBondContact O-N 3.29Å
315Q97.8Very high96.8Very high93 Ų9358.9 Ų58.944%0.43532%0.316SS..Hα-helixtrans-63.1-43.4174-73.1169.9-37.500111.3K311 E312 L313 A318 F319 Q341K311-Q315 HydrophobicContact CG-CG 4.49Å; K311-Q315 WeakPolarHBondContact O-CB 3.39Å; K311-Q315 VanDerWaalsContact O-CG 3.26Å; K311-Q315 WeakPolarHBondContact O-CG 3.05Å; K311-Q315 PolarHBondContact O-N 3.39Å; E312-Q315 WeakPolarHBondContact O-CB 3.49Å; E312-Q315 PolarHBondContact O-N 3.32Å; L313-Q315 VanDerWaalsContact C-N 3.33Å; Q315-A318 PolarHBondContact O-N 3.25Å; Q315-F319 WeakPolarHBondContact O-CB 3.42Å; Q315-F319 PolarHBondContact O-N 2.87Å; Q315-Q341 PolarHBondContact O-NE2 2.97Å; Q315-Q341 VanDerWaalsContact O-NE2 3.17Å
316L97.9Very high96.9Very high0 Ų060.1 Ų60.10%032%0.324CS..Hα-helixtrans-61.3-46176.1-177.662.9000112.2E312 L313 A318 F319 A320 L329 I334 Y337 S338 Q341E312-L316 PolarHBondContact O-N 3.28Å; L313-L316 HydrophobicContact CD1-CD2 4.37Å; L313-L316 PolarHBondContact O-N 3.21Å; L316-A318 PolarHBondContact O-N 2.87Å; L316-F319 PolarHBondContact O-N 3.38Å; L316-A320 WeakPolarHBondContact O-CB 3.17Å; L316-A320 PolarHBondContact O-N 3.09Å; L316-L329 HydrophobicContact CD2-CD2 3.63Å; L316-L329 HydrophobicContact CG-CD2 3.83Å; L316-I334 HydrophobicContact CD2-CG2 4.15Å; L316-Y337 WeakPolarHBondContact CD1-O 3.41Å; L316-S338 VanDerWaalsContact CD2-OG 3.31Å; L316-S338 WeakPolarHBondContact CD2-OG 3.41Å; L316-Q341 HydrophobicContact CD1-CB 4.14Å
317R97.6Very high97Very high111 Ų11162.3 Ų62.342%0.41934%0.342SS..Hα-helixtrans-60.5-44.6175.5-74.2174.5174.7146.8-0.6112.1L313 A314 F319 A320 K321 L329L313-R317 WeakPolarHBondContact O-CG 3.07Å; L313-R317 PolarHBondContact O-N 3.07Å; A314-R317 PolarHBondContact O-N 3.09Å; R317-F319 VanDerWaalsContact C-N 3.34Å; R317-A320 PolarHBondContact O-N 2.84Å; R317-K321 WeakPolarHBondContact O-CB 3.41Å; R317-K321 PolarHBondContact O-N 3.24Å; R317-L329 HydrophobicContact CG-CB 4.25Å; R317-L329 HydrophobicContact CG-CD2 4.19Å
318A98.1Very high96.9Very high60 Ų6065 Ų6550%0.49635%0.347SS..Hα-helixtrans-63-41.5178.100000111.7A314 Q315 L316 K321 A322A314-A318 WeakPolarHBondContact O-CB 3.14Å; A314-A318 PolarHBondContact O-N 3.29Å; Q315-A318 PolarHBondContact O-N 3.25Å; L316-A318 PolarHBondContact O-N 2.87Å; A318-K321 PolarHBondContact O-N 3.47Å; A318-A322 VanDerWaalsContact O-CB 3.27Å; A318-A322 WeakPolarHBondContact O-CB 3.19Å; A318-A322 PolarHBondContact O-N 3.03Å
319F98.4Very high96.7Very high20 Ų2063.5 Ų63.59%0.08834%0.341CS..Hα-helixtrans-63-51.2175.7171.5-97.3000112.2Q315 L316 R317 K321 A322 E323 F324 K340 Q341 H344Q315-F319 WeakPolarHBondContact O-CB 3.42Å; Q315-F319 PolarHBondContact O-N 2.87Å; L316-F319 PolarHBondContact O-N 3.38Å; R317-F319 VanDerWaalsContact C-N 3.34Å; F319-K321 PolarHBondContact O-N 2.87Å; F319-A322 PolarHBondContact O-N 3.35Å; F319-E323 HydrophobicContact CD2-CG 3.74Å; F319-E323 HydrophobicContact CE2-CB 4.29Å; F319-E323 HydrophobicContact CE2-CG 3.58Å; F319-E323 HydrophobicContact CZ-CB 4.49Å; F319-E323 HydrophobicContact CZ-CG 4.24Å; F319-E323 WeakPolarHBondContact O-CB 3.39Å; F319-E323 PolarHBondContact O-N 3.04Å; F319-F324 HydrophobicContact CD1-CE2 4.46Å; F319-F324 HydrophobicContact CE1-CD2 4.28Å; F319-F324 AromaticContact CE1-CE2 3.6Å; F319-F324 HydrophobicContact CE1-CE2 3.6Å; F319-F324 AromaticContact CZ-CE2 3.72Å; F319-F324 HydrophobicContact CZ-CE2 3.72Å; F319-K340 HydrophobicContact CE1-CB 3.87Å; F319-K340 HydrophobicContact CZ-CB 4.13Å; F319-Q341 HydrophobicContact CD1-CB 3.57Å; F319-Q341 HydrophobicContact CD1-CG 4.28Å; F319-Q341 HydrophobicContact CD2-CB 4.39Å; F319-Q341 HydrophobicContact CD2-CG 4.47Å; F319-Q341 HydrophobicContact CE1-CB 3.62Å; F319-Q341 VanDerWaalsContact CE1-N 3.35Å; F319-Q341 HydrophobicContact CE2-CB 4.44Å; F319-Q341 HydrophobicContact CG-CB 3.96Å; F319-Q341 HydrophobicContact CG-CG 4.18Å; F319-Q341 HydrophobicContact CZ-CB 4.08Å; F319-H344 HydrophobicContact CE2-CB 3.55Å; F319-H344 AromaticContact CE2-CD2 3.93Å; F319-H344 AromaticContact CE2-CG 3.56Å; F319-H344 AromaticContact CE2-ND1 3.96Å; F319-H344 HydrophobicContact CZ-CB 3.89Å
320A98.1Very high96.7Very high1 Ų165.8 Ų65.81%0.00835%0.351CS..Hα-helixtrans-58.9-37.7179.100000111.9L316 R317 F324 G325 V326 L329 Y337L316-A320 WeakPolarHBondContact O-CB 3.17Å; L316-A320 PolarHBondContact O-N 3.09Å; R317-A320 PolarHBondContact O-N 2.84Å; A320-F324 CarbonylContact O-C 3.44Å; A320-F324 WeakPolarHBondContact O-CA 3.43Å; A320-F324 WeakPolarHBondContact O-CB 3.25Å; A320-F324 PolarHBondContact O-N 2.93Å; A320-F324 VanDerWaalsContact O-N 3.1Å; A320-G325 PolarHBondContact O-N 2.45Å; A320-V326 HydrophobicContact CB-CB 4.15Å; A320-V326 PolarHBondContact O-N 3.37Å; A320-V326 VanDerWaalsContact O-N 3.15Å; A320-L329 HydrophobicContact CB-CD1 4.38Å; A320-Y337 HydrophobicContact CB-CD1 4.13Å; A320-Y337 HydrophobicContact CB-CD2 4.3Å; A320-Y337 HydrophobicContact CB-CG 4.03Å
321K98.1Very high96.7Very high117 Ų11762.4 Ų62.451%0.50934%0.337SS..Hα-helixtrans-68.9-47.2174.8-176.5168.7-179.2136.90113R317 A318 F319 G325 V326 D327R317-K321 WeakPolarHBondContact O-CB 3.41Å; R317-K321 PolarHBondContact O-N 3.24Å; A318-K321 PolarHBondContact O-N 3.47Å; F319-K321 PolarHBondContact O-N 2.87Å; K321-G325 VanDerWaalsContact O-CA 3.29Å; K321-G325 WeakPolarHBondContact O-CA 3.44Å; K321-G325 PolarHBondContact O-N 3.24Å; K321-G325 VanDerWaalsContact O-N 3.08Å; K321-V326 WeakPolarHBondContact CA-O 3.3Å; K321-V326 WeakPolarHBondContact CB-O 3.47Å; K321-D327 WeakPolarHBondContact CE-OD1 3.13Å; K321-D327 IonicContact NZ-OD1 2.71Å; K321-D327 PolarHBondContact NZ-OD1 2.86Å
322A98.1Very high96.7Very high78 Ų7857.3 Ų57.365%0.64531%0.314SS*.Hα-helixtrans-70-42.6-174.400000112.7A318 F319A318-A322 VanDerWaalsContact O-CB 3.27Å; A318-A322 WeakPolarHBondContact O-CB 3.19Å; A318-A322 PolarHBondContact O-N 3.03Å; F319-A322 PolarHBondContact O-N 3.35Å
323E98Very high96.7Very high109 Ų10956.6 Ų56.651%0.50931%0.311SS..Hα-helixtrans-93.6-27.9-173.1-60.3-60.3137.500113F319F319-E323 HydrophobicContact CD2-CG 3.74Å; F319-E323 HydrophobicContact CE2-CB 4.29Å; F319-E323 HydrophobicContact CE2-CG 3.58Å; F319-E323 HydrophobicContact CZ-CB 4.49Å; F319-E323 HydrophobicContact CZ-CG 4.24Å; F319-E323 WeakPolarHBondContact O-CB 3.39Å; F319-E323 PolarHBondContact O-N 3.04Å
324F97.5Very high96.7Very high93 Ų9357.9 Ų57.941%0.40832%0.317SS..Hα-helixtrans-126.6-1.4-172.9-56.3-85.8000114.4F319 A320 V326 Y337 K340F319-F324 HydrophobicContact CD1-CE2 4.46Å; F319-F324 HydrophobicContact CE1-CD2 4.28Å; F319-F324 AromaticContact CE1-CE2 3.6Å; F319-F324 HydrophobicContact CE1-CE2 3.6Å; F319-F324 AromaticContact CZ-CE2 3.72Å; F319-F324 HydrophobicContact CZ-CE2 3.72Å; A320-F324 CarbonylContact O-C 3.44Å; A320-F324 WeakPolarHBondContact O-CA 3.43Å; A320-F324 WeakPolarHBondContact O-CB 3.25Å; A320-F324 PolarHBondContact O-N 2.93Å; A320-F324 VanDerWaalsContact O-N 3.1Å; F324-V326 VanDerWaalsContact C-N 3.26Å; F324-V326 HydrophobicContact CB-CG2 4.18Å; F324-V326 PolarHBondContact O-N 3.08Å; F324-Y337 HydrophobicContact CB-CE1 3.91Å; F324-Y337 HydrophobicContact CD1-CE1 4.27Å; F324-Y337 AromaticContact CD2-CD1 3.88Å; F324-Y337 HydrophobicContact CD2-CD1 3.88Å; F324-Y337 AromaticContact CD2-CE1 3.71Å; F324-Y337 HydrophobicContact CD2-CE1 3.71Å; F324-Y337 HydrophobicContact CE2-CD1 4.2Å; F324-Y337 HydrophobicContact CE2-CE1 4.31Å; F324-Y337 HydrophobicContact CG-CD1 4.34Å; F324-Y337 AromaticContact CG-CE1 3.69Å; F324-Y337 HydrophobicContact CG-CE1 3.69Å; F324-K340 HydrophobicContact CE2-CB 4.24Å; F324-K340 HydrophobicContact CZ-CB 4.15Å; F324-K340 HydrophobicContact CZ-CD 4.43Å; F324-K340 HydrophobicContact CZ-CG 4.2Å
325G97.4Very high96.6Very high55 Ų5557.1 Ų57.157%0.56731%0.311SS*.  trans68.320.9179.500000114.4A320 K321 D327A320-G325 PolarHBondContact O-N 2.45Å; K321-G325 VanDerWaalsContact O-CA 3.29Å; K321-G325 WeakPolarHBondContact O-CA 3.44Å; K321-G325 PolarHBondContact O-N 3.24Å; K321-G325 VanDerWaalsContact O-N 3.08Å; G325-D327 PolarHBondContact O-N 2.8Å
326V96.7Very high96.6Very high27 Ų2753.5 Ų53.516%0.16429%0.294CS..  trans-84.6109.2179.1178.80000110.6A320 K321 F324 E328 Y337A320-V326 HydrophobicContact CB-CB 4.15Å; A320-V326 PolarHBondContact O-N 3.37Å; A320-V326 VanDerWaalsContact O-N 3.15Å; K321-V326 WeakPolarHBondContact CA-O 3.3Å; K321-V326 WeakPolarHBondContact CB-O 3.47Å; F324-V326 VanDerWaalsContact C-N 3.26Å; F324-V326 HydrophobicContact CB-CG2 4.18Å; F324-V326 PolarHBondContact O-N 3.08Å; V326-E328 WeakPolarHBondContact CG1-O 3.46Å; V326-Y337 HydrophobicContact CG2-CE1 4.38Å; V326-Y337 HydrophobicContact CG2-CE2 4.09Å; V326-Y337 VanDerWaalsContact CG2-OH 3.23Å; V326-Y337 WeakPolarHBondContact CG2-OH 3.43Å
327D93.8Very high96.6Very high131 Ų13154.4 Ų54.470%0.70130%0.297SS*.SBendtrans-76.7-36.6177.9-77.4-53.4000113.3K321 G325K321-D327 WeakPolarHBondContact CE-OD1 3.13Å; K321-D327 IonicContact NZ-OD1 2.71Å; K321-D327 PolarHBondContact NZ-OD1 2.86Å; G325-D327 PolarHBondContact O-N 2.8Å
328E93Very high96.6Very high139 Ų13949.6 Ų49.665%0.6528%0.28SS*.SBendtrans-123.3112.4-179.4-167.2-178.4172.900110.5V326 Q330V326-E328 WeakPolarHBondContact CG1-O 3.46Å; E328-Q330 PolarHBondContact O-N 2.67Å; E328-Q330 PolarHBondContact OE1-NE2 3.09Å
329L93.8Very high96.5Very high15 Ų1547.2 Ų47.28%0.07926%0.259CS..  trans-81.1111.6177.3-17370.6000110L313 L316 R317 A320 D333 I334 Y337L313-L329 HydrophobicContact CD1-CD2 4.22Å; L316-L329 HydrophobicContact CD2-CD2 3.63Å; L316-L329 HydrophobicContact CG-CD2 3.83Å; R317-L329 HydrophobicContact CG-CB 4.25Å; R317-L329 HydrophobicContact CG-CD2 4.19Å; A320-L329 HydrophobicContact CB-CD1 4.38Å; L329-D333 HydrophobicContact CD1-CB 3.73Å; L329-I334 HydrophobicContact CD2-CG1 4.05Å; L329-I334 HydrophobicContact CG-CG1 4.21Å; L329-Y337 HydrophobicContact CD1-CD2 3.36Å; L329-Y337 HydrophobicContact CD1-CE2 4.06Å; L329-Y337 HydrophobicContact CD1-CG 4.17Å
330Q95.3Very high96.5Very high48 Ų4848.9 Ų48.922%0.22427%0.266CS..  trans-83.7160.4177.2-61.8-62.2-30.700111.7E328 W332 D333 I334E328-Q330 PolarHBondContact O-N 2.67Å; E328-Q330 PolarHBondContact OE1-NE2 3.09Å; Q330-W332 VanDerWaalsContact C-N 3.29Å; Q330-W332 HydrophobicContact CB-CD2 3.74Å; Q330-W332 HydrophobicContact CB-CE3 4.15Å; Q330-W332 HydrophobicContact CB-CG 4.31Å; Q330-W332 HydrophobicContact CB-CH2 3.97Å; Q330-W332 HydrophobicContact CB-CZ2 3.54Å; Q330-W332 HydrophobicContact CB-CZ3 4.24Å; Q330-W332 HydrophobicContact CG-CH2 4.02Å; Q330-W332 HydrophobicContact CG-CZ2 3.53Å; Q330-W332 PolarHBondContact O-N 3.4Å; Q330-D333 WeakPolarHBondContact CB-OD2 3.49Å; Q330-D333 VanDerWaalsContact O-CB 3.31Å; Q330-D333 WeakPolarHBondContact O-CB 3.3Å; Q330-D333 PolarHBondContact O-N 3.06Å; Q330-I334 PolarHBondContact O-N 3.19Å
331P94.1Very high96.5Very high16 Ų1649.3 Ų49.310%0.10427%0.268CS..G310 helixtrans-59.6-35.3-178.7-29.640.5000114.4Y236 D333 I334 P578 P580Y236-P331 HydrophobicContact CE1-CB 3.89Å; Y236-P331 HydrophobicContact CE2-CB 4.46Å; Y236-P331 WeakPolarHBondContact OH-CB 3.24Å; P331-D333 PolarHBondContact O-N 3.13Å; P331-I334 PolarHBondContact O-N 2.82Å; P331-P578 VanDerWaalsContact CG-O 3.28Å; P331-P578 WeakPolarHBondContact CG-O 3.48Å; P331-P580 HydrophobicContact CB-CG 4.33Å; P331-P580 HydrophobicContact CG-CG 3.95Å
332W96.4Very high96.4Very high22 Ų2244.9 Ų44.98%0.08325%0.249CC..G310 helixtrans-73.9-6.2175.553.385.4000114.1M223 E233 Y236 Q330 W582M223-W332 HydrophobicContact CE-CB 3.78Å; M223-W332 VanDerWaalsContact CE-O 3.26Å; M223-W332 WeakPolarHBondContact CE-O 3.46Å; E233-W332 HydrophobicContact CB-CD2 3.99Å; E233-W332 HydrophobicContact CB-CG 4.01Å; E233-W332 HydrophobicContact CB-CZ2 4.38Å; E233-W332 HydrophobicContact CG-CD2 3.87Å; E233-W332 HydrophobicContact CG-CE3 4.19Å; E233-W332 HydrophobicContact CG-CG 4.41Å; E233-W332 HydrophobicContact CG-CH2 4.11Å; E233-W332 HydrophobicContact CG-CZ2 3.78Å; E233-W332 HydrophobicContact CG-CZ3 4.32Å; Y236-W332 HydrophobicContact CD1-CB 3.94Å; Y236-W332 AromaticContact CD1-CE3 3.87Å; Y236-W332 HydrophobicContact CD1-CE3 3.87Å; Y236-W332 HydrophobicContact CD2-CB 4.3Å; Y236-W332 HydrophobicContact CE1-CE3 4.23Å; Y236-W332 HydrophobicContact CG-CB 3.69Å; Q330-W332 VanDerWaalsContact C-N 3.29Å; Q330-W332 HydrophobicContact CB-CD2 3.74Å; Q330-W332 HydrophobicContact CB-CE3 4.15Å; Q330-W332 HydrophobicContact CB-CG 4.31Å; Q330-W332 HydrophobicContact CB-CH2 3.97Å; Q330-W332 HydrophobicContact CB-CZ2 3.54Å; Q330-W332 HydrophobicContact CB-CZ3 4.24Å; Q330-W332 HydrophobicContact CG-CH2 4.02Å; Q330-W332 HydrophobicContact CG-CZ2 3.53Å; Q330-W332 PolarHBondContact O-N 3.4Å; W332-W582 HydrophobicContact CE3-CZ2 4.35Å; W332-W582 AromaticContact CZ3-CZ2 3.83Å; W332-W582 HydrophobicContact CZ3-CZ2 3.83Å
333D97.2Very high96.2Very high0 Ų045 Ų450%024%0.236CC..G310 helixtrans-98.4-14.3176.8-68.1-38.5000112.6Q229 R232 L329 Q330 P331 Y336 Y337Q229-D333 PolarHBondContact NE2-OD1 3.14Å; Q229-D333 PolarHBondContact NE2-OD2 3.01Å; R232-D333 IonicContact CZ-OD1 3.85Å; R232-D333 IonicContact NE-OD1 3.72Å; R232-D333 IonicContact NH2-OD1 2.77Å; R232-D333 PolarHBondContact NH2-OD1 3.38Å; L329-D333 HydrophobicContact CD1-CB 3.73Å; Q330-D333 WeakPolarHBondContact CB-OD2 3.49Å; Q330-D333 VanDerWaalsContact O-CB 3.31Å; Q330-D333 WeakPolarHBondContact O-CB 3.3Å; Q330-D333 PolarHBondContact O-N 3.06Å; P331-D333 PolarHBondContact O-N 3.13Å; D333-Y336 PolarHBondContact O-N 2.78Å; D333-Y337 HydrophobicContact CB-CD2 3.72Å; D333-Y337 HydrophobicContact CB-CE2 3.72Å; D333-Y337 VanDerWaalsContact O-CD2 3.28Å; D333-Y337 WeakPolarHBondContact O-CD2 3.41Å; D333-Y337 PolarHBondContact O-N 2.84Å
334I95.9Very high96Very high28 Ų2845 Ų4514%0.14424%0.236CC..Hα-helixtrans-63.7-51.3-172.6-65.9-167000111.7L316 L329 Q330 P331 Y336 S338 V577L316-I334 HydrophobicContact CD2-CG2 4.15Å; L329-I334 HydrophobicContact CD2-CG1 4.05Å; L329-I334 HydrophobicContact CG-CG1 4.21Å; Q330-I334 PolarHBondContact O-N 3.19Å; P331-I334 PolarHBondContact O-N 2.82Å; I334-Y336 VanDerWaalsContact C-N 3.33Å; I334-Y336 PolarHBondContact O-N 2.71Å; I334-S338 WeakPolarHBondContact O-CB 3.48Å; I334-S338 PolarHBondContact O-N 2.94Å; I334-S338 PolarHBondContact O-OG 3.21Å; I334-V577 HydrophobicContact CD1-CB 4.19Å; I334-V577 HydrophobicContact CD1-CG1 3.29Å; I334-V577 HydrophobicContact CD1-CG2 3.82Å
335A96Very high95.9Very high37 Ų3745.1 Ų45.131%0.30624%0.24SC..Hα-helixtrans-59.1-46.7179.300000111M223 S338 E339M223-A335 HydrophobicContact CB-CB 4.31Å; M223-A335 WeakPolarHBondContact O-CB 3.26Å; A335-S338 PolarHBondContact O-N 3.22Å; A335-E339 PolarHBondContact O-N 3.11Å
336Y97.9Very high95.7Very high16 Ų1645.9 Ų45.96%0.06323%0.227CC..Hα-helixtrans-57.3-56.3178.2179.4-96.2000113.4M223 T224 D227 D333 I334 S338 E339 K340M223-Y336 WeakPolarHBondContact O-CB 3.41Å; M223-Y336 PolarHBondContact O-N 3.48Å; M223-Y336 VanDerWaalsContact O-N 3.11Å; T224-Y336 WeakPolarHBondContact O-CA 3.4Å; D227-Y336 WeakPolarHBondContact OD1-CE2 3.49Å; D227-Y336 PolarHBondContact OD1-OH 3.13Å; D333-Y336 PolarHBondContact O-N 2.78Å; I334-Y336 VanDerWaalsContact C-N 3.33Å; I334-Y336 PolarHBondContact O-N 2.71Å; Y336-S338 VanDerWaalsContact C-N 3.29Å; Y336-S338 PolarHBondContact O-N 3.13Å; Y336-E339 PolarHBondContact O-N 3.36Å; Y336-K340 HydrophobicContact CE1-CG 4.19Å; Y336-K340 WeakPolarHBondContact O-CG 3.22Å; Y336-K340 PolarHBondContact O-N 2.9Å; Y336-K340 VanDerWaalsContact O-N 3.08Å; Y336-K340 WeakPolarHBondContact OH-CE 3.39Å
337Y97.9Very high95.5Very high19 Ų1948 Ų488%0.07524%0.243CC..Hα-helixtrans-72.5-25-179.5-70.6-64.9000112.7L316 A320 F324 V326 L329 D333 E339 K340 Q341L316-Y337 WeakPolarHBondContact CD1-O 3.41Å; A320-Y337 HydrophobicContact CB-CD1 4.13Å; A320-Y337 HydrophobicContact CB-CD2 4.3Å; A320-Y337 HydrophobicContact CB-CG 4.03Å; F324-Y337 HydrophobicContact CB-CE1 3.91Å; F324-Y337 HydrophobicContact CD1-CE1 4.27Å; F324-Y337 AromaticContact CD2-CD1 3.88Å; F324-Y337 HydrophobicContact CD2-CD1 3.88Å; F324-Y337 AromaticContact CD2-CE1 3.71Å; F324-Y337 HydrophobicContact CD2-CE1 3.71Å; F324-Y337 HydrophobicContact CE2-CD1 4.2Å; F324-Y337 HydrophobicContact CE2-CE1 4.31Å; F324-Y337 HydrophobicContact CG-CD1 4.34Å; F324-Y337 AromaticContact CG-CE1 3.69Å; F324-Y337 HydrophobicContact CG-CE1 3.69Å; V326-Y337 HydrophobicContact CG2-CE1 4.38Å; V326-Y337 HydrophobicContact CG2-CE2 4.09Å; V326-Y337 VanDerWaalsContact CG2-OH 3.23Å; V326-Y337 WeakPolarHBondContact CG2-OH 3.43Å; L329-Y337 HydrophobicContact CD1-CD2 3.36Å; L329-Y337 HydrophobicContact CD1-CE2 4.06Å; L329-Y337 HydrophobicContact CD1-CG 4.17Å; D333-Y337 HydrophobicContact CB-CD2 3.72Å; D333-Y337 HydrophobicContact CB-CE2 3.72Å; D333-Y337 VanDerWaalsContact O-CD2 3.28Å; D333-Y337 WeakPolarHBondContact O-CD2 3.41Å; D333-Y337 PolarHBondContact O-N 2.84Å; Y337-E339 VanDerWaalsContact C-N 3.34Å; Y337-K340 PolarHBondContact O-N 2.98Å; Y337-Q341 VanDerWaalsContact O-CB 3.25Å; Y337-Q341 WeakPolarHBondContact O-CB 3.37Å; Y337-Q341 PolarHBondContact O-N 3.46Å
338S97Very high95.3Very high10 Ų1042 Ų427%0.0721%0.21CC..Hα-helixtrans-67.2-39.4173.9-60.90000110.6L316 I334 A335 Y336 Q341 K342 Y542 Q543L316-S338 VanDerWaalsContact CD2-OG 3.31Å; L316-S338 WeakPolarHBondContact CD2-OG 3.41Å; I334-S338 WeakPolarHBondContact O-CB 3.48Å; I334-S338 PolarHBondContact O-N 2.94Å; I334-S338 PolarHBondContact O-OG 3.21Å; A335-S338 PolarHBondContact O-N 3.22Å; Y336-S338 VanDerWaalsContact C-N 3.29Å; Y336-S338 PolarHBondContact O-N 3.13Å; S338-Q341 PolarHBondContact O-N 2.79Å; S338-K342 VanDerWaalsContact O-CB 3.3Å; S338-K342 WeakPolarHBondContact O-CB 3.49Å; S338-K342 PolarHBondContact O-N 2.7Å; S338-Y542 WeakPolarHBondContact CA-OH 3.4Å; S338-Y542 WeakPolarHBondContact O-CE1 3.37Å; S338-Y542 PolarHBondContact O-OH 3.07Å; S338-Q543 PolarHBondContact OG-NE2 3.27Å; S338-Q543 PolarHBondContact OG-OE1 3.14Å; S338-Q543 VanDerWaalsContact OG-OE1 3.09Å
339E96.6Very high95Very high11 Ų1136 Ų365%0.05118%0.184CC..Hα-helixtrans-64.6-46.7172.3-179.559.4-160.200111.6T224 Y225 A335 Y336 Y337 Q341 K342 Q343 S349T224-E339 HydrophobicContact CG2-CB 3.81Å; T224-E339 HydrophobicContact CG2-CG 3.97Å; Y225-E339 HydrophobicContact CD1-CG 4.03Å; Y225-E339 HydrophobicContact CE1-CG 3.61Å; A335-E339 PolarHBondContact O-N 3.11Å; Y336-E339 PolarHBondContact O-N 3.36Å; Y337-E339 VanDerWaalsContact C-N 3.34Å; E339-Q341 VanDerWaalsContact C-N 3.32Å; E339-Q341 PolarHBondContact O-N 2.96Å; E339-K342 PolarHBondContact O-N 2.67Å; E339-K342 WeakPolarHBondContact OE2-CE 3.28Å; E339-K342 IonicContact OE2-NZ 2.7Å; E339-K342 PolarHBondContact OE2-NZ 3.29Å; E339-Q343 WeakPolarHBondContact O-CB 3.34Å; E339-Q343 PolarHBondContact O-N 3.34Å; E339-S349 WeakPolarHBondContact OE1-CA 3.48Å; E339-S349 WeakPolarHBondContact OE1-CB 3.42Å
340K96.9Very high94.7Very high54 Ų5436.7 Ų36.724%0.23519%0.188CC..Hα-helixtrans-59.9-40.8176.6-63.2-66-175.7-179.40112.2D227 F319 F324 Y336 Y337 H344D227-K340 IonicContact OD1-NZ 2.79Å; F319-K340 HydrophobicContact CE1-CB 3.87Å; F319-K340 HydrophobicContact CZ-CB 4.13Å; F324-K340 HydrophobicContact CE2-CB 4.24Å; F324-K340 HydrophobicContact CZ-CB 4.15Å; F324-K340 HydrophobicContact CZ-CD 4.43Å; F324-K340 HydrophobicContact CZ-CG 4.2Å; Y336-K340 HydrophobicContact CE1-CG 4.19Å; Y336-K340 WeakPolarHBondContact O-CG 3.22Å; Y336-K340 PolarHBondContact O-N 2.9Å; Y336-K340 VanDerWaalsContact O-N 3.08Å; Y336-K340 WeakPolarHBondContact OH-CE 3.39Å; Y337-K340 PolarHBondContact O-N 2.98Å; K340-H344 WeakPolarHBondContact O-CB 3.46Å; K340-H344 PolarHBondContact O-N 3.02Å
341Q97.6Very high94.4Very high11 Ų1136.3 Ų36.35%0.05119%0.186CC..Hα-helixtrans-68.9-42.8177.1174174.570.300111.4Q315 L316 F319 Y337 S338 E339 Q343 H344 L345 Y542Q315-Q341 PolarHBondContact O-NE2 2.97Å; Q315-Q341 VanDerWaalsContact O-NE2 3.17Å; L316-Q341 HydrophobicContact CD1-CB 4.14Å; F319-Q341 HydrophobicContact CD1-CB 3.57Å; F319-Q341 HydrophobicContact CD1-CG 4.28Å; F319-Q341 HydrophobicContact CD2-CB 4.39Å; F319-Q341 HydrophobicContact CD2-CG 4.47Å; F319-Q341 HydrophobicContact CE1-CB 3.62Å; F319-Q341 VanDerWaalsContact CE1-N 3.35Å; F319-Q341 HydrophobicContact CE2-CB 4.44Å; F319-Q341 HydrophobicContact CG-CB 3.96Å; F319-Q341 HydrophobicContact CG-CG 4.18Å; F319-Q341 HydrophobicContact CZ-CB 4.08Å; Y337-Q341 VanDerWaalsContact O-CB 3.25Å; Y337-Q341 WeakPolarHBondContact O-CB 3.37Å; Y337-Q341 PolarHBondContact O-N 3.46Å; S338-Q341 PolarHBondContact O-N 2.79Å; E339-Q341 VanDerWaalsContact C-N 3.32Å; E339-Q341 PolarHBondContact O-N 2.96Å; Q341-Q343 VanDerWaalsContact C-N 3.29Å; Q341-Q343 PolarHBondContact O-N 2.83Å; Q341-H344 PolarHBondContact O-N 3.17Å; Q341-H344 VanDerWaalsContact O-N 3.16Å; Q341-L345 HydrophobicContact CG-CD1 3.67Å; Q341-L345 HydrophobicContact CG-CG 4.11Å; Q341-L345 WeakPolarHBondContact O-CB 3.38Å; Q341-L345 WeakPolarHBondContact O-CG 3.48Å; Q341-L345 PolarHBondContact O-N 2.8Å; Q341-Y542 VanDerWaalsContact CB-OH 3.28Å; Q341-Y542 WeakPolarHBondContact CB-OH 3.43Å; Q341-Y542 HydrophobicContact CG-CE2 4.09Å; Q341-Y542 WeakPolarHBondContact CG-OH 3.44Å; Q341-Y542 PolarHBondContact OE1-OH 3.26Å
342K96.1Very high94.3Very high24 Ų2439.5 Ų39.510%0.10420%0.199CC..Hα-helixtrans-56.2-47.8174.6-170.7177.766.3-175.50110S338 E339 H344 L345 Y346 D350 A539 Y542S338-K342 VanDerWaalsContact O-CB 3.3Å; S338-K342 WeakPolarHBondContact O-CB 3.49Å; S338-K342 PolarHBondContact O-N 2.7Å; E339-K342 PolarHBondContact O-N 2.67Å; E339-K342 WeakPolarHBondContact OE2-CE 3.28Å; E339-K342 IonicContact OE2-NZ 2.7Å; E339-K342 PolarHBondContact OE2-NZ 3.29Å; K342-H344 PolarHBondContact O-N 3.29Å; K342-L345 PolarHBondContact O-N 3.37Å; K342-Y346 HydrophobicContact CG-CD2 4.18Å; K342-Y346 WeakPolarHBondContact O-CB 3.41Å; K342-Y346 WeakPolarHBondContact O-CD2 3.48Å; K342-Y346 PolarHBondContact O-N 3Å; K342-D350 IonicContact NZ-OD1 3.85Å; K342-D350 PolarHBondContact NZ-OD1 3.5Å; K342-D350 IonicContact NZ-OD2 3.64Å; K342-D350 PolarHBondContact NZ-OD2 3.22Å; K342-A539 HydrophobicContact CG-CB 4.49Å; K342-Y542 HydrophobicContact CB-CD1 3.95Å; K342-Y542 HydrophobicContact CB-CE1 3.65Å; K342-Y542 HydrophobicContact CD-CD1 3.95Å; K342-Y542 HydrophobicContact CD-CE1 4.35Å; K342-Y542 HydrophobicContact CG-CD1 3.92Å; K342-Y542 HydrophobicContact CG-CE1 4.15Å; K342-Y542 HydrophobicContact CG-CG 4.3Å
343Q94.2Very high94.2Very high81 Ų8138.6 Ų38.638%0.37920%0.196SC..Hα-helixtrans-62-41.6176.2-168-178.917.900112.4E339 Q341 S347 I348E339-Q343 WeakPolarHBondContact O-CB 3.34Å; E339-Q343 PolarHBondContact O-N 3.34Å; Q341-Q343 VanDerWaalsContact C-N 3.29Å; Q341-Q343 PolarHBondContact O-N 2.83Å; Q343-S347 WeakPolarHBondContact O-CA 3.45Å; Q343-S347 PolarHBondContact O-N 3.31Å; Q343-I348 WeakPolarHBondContact CA-O 3.5Å
344H95.1Very high94Very high108 Ų10839.2 Ų39.250%0.520%0.198SC..Hα-helixtrans-65.6-43.1177.8-179.994.2000112.8F319 K340 Q341 K342F319-H344 HydrophobicContact CE2-CB 3.55Å; F319-H344 AromaticContact CE2-CD2 3.93Å; F319-H344 AromaticContact CE2-CG 3.56Å; F319-H344 AromaticContact CE2-ND1 3.96Å; F319-H344 HydrophobicContact CZ-CB 3.89Å; K340-H344 WeakPolarHBondContact O-CB 3.46Å; K340-H344 PolarHBondContact O-N 3.02Å; Q341-H344 PolarHBondContact O-N 3.17Å; Q341-H344 VanDerWaalsContact O-N 3.16Å; K342-H344 PolarHBondContact O-N 3.29Å
345L95.2Very high94Very high96 Ų9639.4 Ų39.450%0.50320%0.201SC..Hα-helixtrans-77.3-38-176-68.2176.1000113Q341 K342 Y542Q341-L345 HydrophobicContact CG-CD1 3.67Å; Q341-L345 HydrophobicContact CG-CG 4.11Å; Q341-L345 WeakPolarHBondContact O-CB 3.38Å; Q341-L345 WeakPolarHBondContact O-CG 3.48Å; Q341-L345 PolarHBondContact O-N 2.8Å; K342-L345 PolarHBondContact O-N 3.37Å; L345-Y542 HydrophobicContact CD1-CE2 4.24Å
346Y93.2Very high94Very high71 Ų7139.2 Ų39.228%0.27819%0.193SC..Hα-helixtrans-116.9-6.3-169.7-57.2-76.1000113.7K342 I348 K535 A538 A539 Y542K342-Y346 HydrophobicContact CG-CD2 4.18Å; K342-Y346 WeakPolarHBondContact O-CB 3.41Å; K342-Y346 WeakPolarHBondContact O-CD2 3.48Å; K342-Y346 PolarHBondContact O-N 3Å; Y346-I348 PolarHBondContact O-N 3.43Å; Y346-K535 WeakPolarHBondContact O-CD 3.38Å; Y346-K535 WeakPolarHBondContact O-CG 3.46Å; Y346-A538 HydrophobicContact CD1-CB 4.04Å; Y346-A538 HydrophobicContact CE1-CB 4.36Å; Y346-A538 WeakPolarHBondContact CE1-O 3.44Å; Y346-A539 HydrophobicContact CD1-CB 4.29Å; Y346-A539 HydrophobicContact CD2-CB 3.94Å; Y346-A539 HydrophobicContact CE2-CB 4.39Å; Y346-A539 HydrophobicContact CG-CB 3.89Å; Y346-Y542 AromaticContact CE2-CD2 3.75Å; Y346-Y542 HydrophobicContact CE2-CD2 3.75Å; Y346-Y542 HydrophobicContact CE2-CG 4.13Å
347S91.7Very high94Very high71 Ų7138.5 Ų38.550%0.49719%0.19SC..SBendtrans54.638.3-176.5-580000113.1Q343Q343-S347 WeakPolarHBondContact O-CA 3.45Å; Q343-S347 PolarHBondContact O-N 3.31Å
348I89Confident93.9Very high4 Ų437.7 Ų37.72%0.02119%0.188CC..  trans-135.9147.2179.3-162.8169000111.4Q343 Y346 L353 K535 M536 A539Q343-I348 WeakPolarHBondContact CA-O 3.5Å; Y346-I348 PolarHBondContact O-N 3.43Å; I348-L353 HydrophobicContact CD1-CD1 3.87Å; I348-L353 HydrophobicContact CD1-CD2 4.13Å; I348-L353 HydrophobicContact CD1-CG 4.07Å; I348-L353 HydrophobicContact CG1-CD1 4.41Å; I348-L353 HydrophobicContact CG1-CG 4.37Å; I348-K535 HydrophobicContact CB-CB 4.07Å; I348-K535 HydrophobicContact CD1-CB 3.93Å; I348-K535 HydrophobicContact CG1-CB 4.48Å; I348-M536 VanDerWaalsContact CD1-CA 3.48Å; I348-M536 HydrophobicContact CD1-CB 3.67Å; I348-M536 HydrophobicContact CD1-CG 4.41Å; I348-M536 VanDerWaalsContact CD1-N 3.33Å; I348-A539 HydrophobicContact CG2-CB 4.16Å
349S88.5Confident93.9Very high13 Ų1338.1 Ų38.19%0.09119%0.189CC..  trans-135157.2165.466.20000110.9E339 E351 Q352 L353E339-S349 WeakPolarHBondContact OE1-CA 3.48Å; E339-S349 WeakPolarHBondContact OE1-CB 3.42Å; S349-E351 PolarHBondContact O-N 2.9Å; S349-Q352 VanDerWaalsContact N-OE1 3.14Å; S349-Q352 WeakPolarHBondContact O-CB 3.37Å; S349-Q352 PolarHBondContact O-N 3.07Å; S349-Q352 WeakPolarHBondContact OG-CG 3.17Å; S349-Q352 PolarHBondContact OG-N 2.87Å; S349-L353 PolarHBondContact O-N 3.39Å
350D86.2Confident93.8Very high30 Ų3041.8 Ų41.816%0.1621%0.208CC..Hα-helixtrans-66.1-27.9179.8-55.5-20.8000110.9K342 Q352 L353 R354K342-D350 IonicContact NZ-OD1 3.85Å; K342-D350 PolarHBondContact NZ-OD1 3.5Å; K342-D350 IonicContact NZ-OD2 3.64Å; K342-D350 PolarHBondContact NZ-OD2 3.22Å; D350-Q352 VanDerWaalsContact C-N 3.34Å; D350-Q352 PolarHBondContact O-N 3.37Å; D350-L353 WeakPolarHBondContact O-CB 3.32Å; D350-L353 PolarHBondContact O-N 3.15Å; D350-R354 WeakPolarHBondContact O-CB 3.37Å; D350-R354 PolarHBondContact O-N 2.98Å
351E90.4Very high93.9Very high41 Ų4143 Ų4319%0.19221%0.214CC..Hα-helixtrans-69.9-26.2173.7-65.5-55.5131.600113.8P191 Y225 S349 L353 R354 P355P191-E351 HydrophobicContact CB-CG 3.97Å; P191-E351 WeakPolarHBondContact CB-OE2 3.22Å; P191-E351 HydrophobicContact CG-CG 3.69Å; Y225-E351 HydrophobicContact CE1-CG 4.13Å; Y225-E351 HydrophobicContact CE2-CG 4.24Å; S349-E351 PolarHBondContact O-N 2.9Å; E351-L353 VanDerWaalsContact C-N 3.31Å; E351-R354 VanDerWaalsContact CD-NE 3.35Å; E351-R354 IonicContact OE1-CZ 3.66Å; E351-R354 VanDerWaalsContact OE1-CZ 3.31Å; E351-R354 IonicContact OE1-NE 3.53Å; E351-R354 PolarHBondContact OE1-NE 3.19Å; E351-R354 IonicContact OE1-NH2 2.92Å; E351-R354 PolarHBondContact OE1-NH2 3.21Å; E351-R354 WeakPolarHBondContact OE2-CD 3.09Å; E351-R354 IonicContact OE2-NE 3.67Å; E351-R354 PolarHBondContact OE2-NE 3.28Å; E351-P355 VanDerWaalsContact O-CD 3.28Å; E351-P355 WeakPolarHBondContact O-CD 3.34Å
352Q91.3Very high93.9Very high82 Ų8242.5 Ų42.538%0.38321%0.211SC..Hα-helixtrans-71.7-29.8170.6-74.2174.6-30.600111.9S349 D350S349-Q352 VanDerWaalsContact N-OE1 3.14Å; S349-Q352 WeakPolarHBondContact O-CB 3.37Å; S349-Q352 PolarHBondContact O-N 3.07Å; S349-Q352 WeakPolarHBondContact OG-CG 3.17Å; S349-Q352 PolarHBondContact OG-N 2.87Å; D350-Q352 VanDerWaalsContact C-N 3.34Å; D350-Q352 PolarHBondContact O-N 3.37Å
353L93.3Very high94Very high3 Ų341.5 Ų41.52%0.01621%0.207CC..Hα-helixtrans-82-34.9178.3-69.4175.4000112.4I348 S349 D350 E351 P355 Y356 F357 L528 L532 M536I348-L353 HydrophobicContact CD1-CD1 3.87Å; I348-L353 HydrophobicContact CD1-CD2 4.13Å; I348-L353 HydrophobicContact CD1-CG 4.07Å; I348-L353 HydrophobicContact CG1-CD1 4.41Å; I348-L353 HydrophobicContact CG1-CG 4.37Å; S349-L353 PolarHBondContact O-N 3.39Å; D350-L353 WeakPolarHBondContact O-CB 3.32Å; D350-L353 PolarHBondContact O-N 3.15Å; E351-L353 VanDerWaalsContact C-N 3.31Å; L353-P355 VanDerWaalsContact C-CD 3.44Å; L353-P355 VanDerWaalsContact O-N 3.15Å; L353-Y356 WeakPolarHBondContact O-CB 3.21Å; L353-Y356 PolarHBondContact O-N 3.4Å; L353-F357 HydrophobicContact CB-CD2 4.45Å; L353-F357 HydrophobicContact CB-CE2 4.13Å; L353-F357 WeakPolarHBondContact O-CD2 3.27Å; L353-L528 HydrophobicContact CD2-CD1 3.77Å; L353-L532 HydrophobicContact CD2-CB 4.42Å; L353-M536 HydrophobicContact CD1-CB 4.31Å; L353-M536 HydrophobicContact CD1-CG 3.79Å; L353-M536 HydrophobicContact CD1-SD 3.76Å; L353-M536 HydrophobicContact CD2-SD 4.29Å
354R93.6Very high94.2Very high13 Ų1342.1 Ų42.15%0.04921%0.213CC..G310 helixtrans-47.5-43.6-174-175.5-174.7-65.2-85.67.3114.6D350 E351 Y356 F357 L458 T460 E463D350-R354 WeakPolarHBondContact O-CB 3.37Å; D350-R354 PolarHBondContact O-N 2.98Å; E351-R354 VanDerWaalsContact CD-NE 3.35Å; E351-R354 IonicContact OE1-CZ 3.66Å; E351-R354 VanDerWaalsContact OE1-CZ 3.31Å; E351-R354 IonicContact OE1-NE 3.53Å; E351-R354 PolarHBondContact OE1-NE 3.19Å; E351-R354 IonicContact OE1-NH2 2.92Å; E351-R354 PolarHBondContact OE1-NH2 3.21Å; E351-R354 WeakPolarHBondContact OE2-CD 3.09Å; E351-R354 IonicContact OE2-NE 3.67Å; E351-R354 PolarHBondContact OE2-NE 3.28Å; R354-Y356 PolarHBondContact O-N 2.83Å; R354-F357 PolarHBondContact O-N 3.34Å; R354-L458 HydrophobicContact CG-CB 3.56Å; R354-L458 PolarHBondContact NH1-O 3.29Å; R354-T460 VanDerWaalsContact CZ-CG2 3.44Å; R354-E463 IonicContact NH1-OE2 2.88Å; R354-E463 PolarHBondContact NH1-OE2 3.23Å
355P95.3Very high94.3Very high32 Ų3237 Ų3721%0.20819%0.189CC..G310 helixtrans-58.1-20.3176.6-2736.6000115.3E351 L353 H521 Y522E351-P355 VanDerWaalsContact O-CD 3.28Å; E351-P355 WeakPolarHBondContact O-CD 3.34Å; L353-P355 VanDerWaalsContact C-CD 3.44Å; L353-P355 VanDerWaalsContact O-N 3.15Å; P355-H521 CarbonylContact O-C 3.59Å; P355-H521 WeakPolarHBondContact O-CA 3.39Å; P355-Y522 HydrophobicContact CB-CD1 4.04Å; P355-Y522 HydrophobicContact CB-CE1 4.27Å; P355-Y522 PolarHBondContact O-N 3.19Å
356Y97Very high94.5Very high34 Ų3432.5 Ų32.513%0.13317%0.166CC..G310 helixtrans-91.4-4179.7-63.6-88.2000113.8L353 R354 P358 S519 G520 H521 L528 P529 L532L353-Y356 WeakPolarHBondContact O-CB 3.21Å; L353-Y356 PolarHBondContact O-N 3.4Å; R354-Y356 PolarHBondContact O-N 2.83Å; Y356-P358 WeakPolarHBondContact O-CD 3.42Å; Y356-S519 CarbonylContact O-C 3.59Å; Y356-S519 WeakPolarHBondContact O-CA 3.24Å; Y356-S519 WeakPolarHBondContact O-CB 3.47Å; Y356-G520 CarbonylContact C-O 3.54Å; Y356-G520 PolarHBondContact O-N 3.12Å; Y356-H521 HydrophobicContact CD1-CB 3.88Å; Y356-H521 HydrophobicContact CE1-CB 3.73Å; Y356-H521 AromaticContact CZ-CD2 3.85Å; Y356-L528 HydrophobicContact CD1-CB 4.31Å; Y356-L528 HydrophobicContact CD1-CD1 4.29Å; Y356-L528 HydrophobicContact CD2-CD1 4Å; Y356-L528 HydrophobicContact CE2-CD1 4.46Å; Y356-L528 HydrophobicContact CG-CD1 3.91Å; Y356-P529 HydrophobicContact CE1-CG 4.3Å; Y356-P529 WeakPolarHBondContact OH-CD 3.48Å; Y356-P529 WeakPolarHBondContact OH-CG 3.43Å; Y356-L532 HydrophobicContact CE2-CD1 3.93Å
357F97.1Very high94.8Very high0 Ų030 Ų300%016%0.157CC..  trans-120.557.8178.3-62.9-77.9000111.8L353 R354 F459 H461 V464 L515 I518L353-F357 HydrophobicContact CB-CD2 4.45Å; L353-F357 HydrophobicContact CB-CE2 4.13Å; L353-F357 WeakPolarHBondContact O-CD2 3.27Å; R354-F357 PolarHBondContact O-N 3.34Å; F357-F459 HydrophobicContact CB-CB 4.31Å; F357-F459 PolarHBondContact O-N 2.92Å; F357-H461 AromaticContact CZ-CD2 3.96Å; F357-V464 HydrophobicContact CB-CG2 3.99Å; F357-V464 HydrophobicContact CD1-CG2 3.74Å; F357-V464 HydrophobicContact CE1-CG2 4.44Å; F357-V464 HydrophobicContact CG-CG2 3.99Å; F357-L515 HydrophobicContact CE1-CD2 4.02Å; F357-L515 HydrophobicContact CZ-CD2 4.03Å; F357-I518 HydrophobicContact CD1-CG2 4.41Å; F357-I518 HydrophobicContact CE1-CG2 4.27Å
358P97Very high95.1Very high3 Ų329.3 Ų29.32%0.01915%0.145CC..BIsolated β-bridgetrans-64.8143.5168.431.4-34.2000109.4Y356 N360 K361 A362 P456 A457 L458 G520Y356-P358 WeakPolarHBondContact O-CD 3.42Å; P358-N360 WeakPolarHBondContact CB-OD1 3.43Å; P358-N360 PolarHBondContact O-N 2.87Å; P358-N360 VanDerWaalsContact O-N 3.09Å; P358-K361 HydrophobicContact CG-CB 3.82Å; P358-K361 HydrophobicContact CG-CG 3.6Å; P358-K361 WeakPolarHBondContact O-CA 3.45Å; P358-K361 WeakPolarHBondContact O-CB 3.15Å; P358-K361 PolarHBondContact O-N 2.98Å; P358-A362 PolarHBondContact O-N 3.17Å; P358-A362 VanDerWaalsContact O-N 3.07Å; P358-P456 HydrophobicContact CB-CG 4.45Å; P358-A457 WeakPolarHBondContact CA-O 3.24Å; P358-L458 HydrophobicContact CB-CD2 3.75Å; P358-G520 VanDerWaalsContact CD-O 3.22Å; P358-G520 WeakPolarHBondContact CD-O 3.2Å
359E96.6Very high95.6Very high19 Ų1929.1 Ų29.19%0.08914%0.144CC..Hα-helixtrans-47.4-46.7-175.3174.3-169.2140.500112.9K361 A362 V363 R392 L411 Y412 A457 F459E359-K361 PolarHBondContact O-N 2.98Å; E359-A362 PolarHBondContact O-N 3.42Å; E359-V363 HydrophobicContact CG-CG2 3.84Å; E359-V363 WeakPolarHBondContact O-CB 3.4Å; E359-V363 VanDerWaalsContact O-CG2 3.31Å; E359-V363 WeakPolarHBondContact O-CG2 3.5Å; E359-V363 PolarHBondContact O-N 3.4Å; E359-R392 IonicContact OE1-NH1 2.79Å; E359-R392 PolarHBondContact OE1-NH1 3.05Å; E359-R392 VanDerWaalsContact OE1-NH1 3.14Å; E359-L411 HydrophobicContact CG-CD1 3.82Å; E359-Y412 WeakPolarHBondContact OE2-CE1 3.32Å; E359-Y412 VanDerWaalsContact OE2-CZ 3.25Å; E359-Y412 PolarHBondContact OE2-OH 3.07Å; E359-A457 HydrophobicContact CB-CB 4.31Å; E359-A457 PolarHBondContact N-O 3.45Å; E359-F459 HydrophobicContact CB-CE1 4.33Å; E359-F459 HydrophobicContact CB-CE2 3.79Å; E359-F459 HydrophobicContact CB-CZ 3.57Å; E359-F459 HydrophobicContact CG-CE2 3.9Å; E359-F459 HydrophobicContact CG-CZ 3.68Å
360N95.7Very high96Very high87 Ų8728.6 Ų28.647%0.46514%0.141SC..Hα-helixtrans-61.5-31.8-177.769.2-35.5000112.4P358 N364P358-N360 WeakPolarHBondContact CB-OD1 3.43Å; P358-N360 PolarHBondContact O-N 2.87Å; P358-N360 VanDerWaalsContact O-N 3.09Å; N360-N364 VanDerWaalsContact O-CB 3.23Å; N360-N364 WeakPolarHBondContact O-CB 3.33Å; N360-N364 PolarHBondContact O-N 3.33Å; N360-N364 PolarHBondContact O-ND2 3.44Å
361K97.2Very high96.6Very high81 Ų8132.1 Ų32.135%0.35215%0.154SC..Hα-helixtrans-75.4-47.4174.3-73.5-70.7-171.5167.60110.9P358 E359 V363 N364 G365 I518P358-K361 HydrophobicContact CG-CB 3.82Å; P358-K361 HydrophobicContact CG-CG 3.6Å; P358-K361 WeakPolarHBondContact O-CA 3.45Å; P358-K361 WeakPolarHBondContact O-CB 3.15Å; P358-K361 PolarHBondContact O-N 2.98Å; E359-K361 PolarHBondContact O-N 2.98Å; K361-V363 PolarHBondContact O-N 3.48Å; K361-N364 PolarHBondContact O-N 3.38Å; K361-G365 PolarHBondContact O-N 3.36Å; K361-I518 CarbonylContact C-O 3.59Å; K361-I518 VanDerWaalsContact C-O 3.26Å
362A98Very high97Very high0 Ų034.7 Ų34.70%016%0.162CC..Hα-helixtrans-60.2-48.6-179.900000112.2P358 E359 G365 L366 F459 V464 L467 I518P358-A362 PolarHBondContact O-N 3.17Å; P358-A362 VanDerWaalsContact O-N 3.07Å; E359-A362 PolarHBondContact O-N 3.42Å; A362-G365 PolarHBondContact O-N 3.31Å; A362-L366 PolarHBondContact O-N 3.41Å; A362-F459 HydrophobicContact CB-CD2 3.97Å; A362-F459 HydrophobicContact CB-CE2 4.34Å; A362-V464 HydrophobicContact CB-CG2 4.1Å; A362-L467 HydrophobicContact CB-CD2 4.48Å; A362-I518 PolarHBondContact N-O 3.31Å
363V98.4Very high97.3Very high2 Ų230.8 Ų30.81%0.01214%0.144CC..Hα-helixtrans-66.1-44.5180173.70000111.7E359 K361 G365 L366 F367 L409 L411 L467E359-V363 HydrophobicContact CG-CG2 3.84Å; E359-V363 WeakPolarHBondContact O-CB 3.4Å; E359-V363 VanDerWaalsContact O-CG2 3.31Å; E359-V363 WeakPolarHBondContact O-CG2 3.5Å; E359-V363 PolarHBondContact O-N 3.4Å; K361-V363 PolarHBondContact O-N 3.48Å; V363-G365 VanDerWaalsContact C-N 3.32Å; V363-G365 PolarHBondContact O-N 3.42Å; V363-L366 WeakPolarHBondContact O-CB 3.43Å; V363-L366 PolarHBondContact O-N 2.78Å; V363-F367 HydrophobicContact CG1-CD2 4.23Å; V363-F367 HydrophobicContact CG1-CE1 4.28Å; V363-F367 HydrophobicContact CG1-CE2 3.53Å; V363-F367 HydrophobicContact CG1-CZ 3.55Å; V363-F367 WeakPolarHBondContact O-CD2 3.43Å; V363-F367 VanDerWaalsContact O-CG 3.32Å; V363-F367 WeakPolarHBondContact O-CG 3.14Å; V363-F367 PolarHBondContact O-N 3.44Å; V363-F367 VanDerWaalsContact O-N 3.13Å; V363-L409 HydrophobicContact CG1-CD2 4.42Å; V363-L409 HydrophobicContact CG2-CD2 4.4Å; V363-L411 HydrophobicContact CG2-CD1 4.48Å; V363-L467 HydrophobicContact CG2-CD2 3.87Å
364N98.2Very high97.5Very high94 Ų9430.9 Ų30.950%0.50314%0.144SC..Hα-helixtrans-69.1-33.4177.1-73.1-39.5000112N360 K361 F367 E368N360-N364 VanDerWaalsContact O-CB 3.23Å; N360-N364 WeakPolarHBondContact O-CB 3.33Å; N360-N364 PolarHBondContact O-N 3.33Å; N360-N364 PolarHBondContact O-ND2 3.44Å; K361-N364 PolarHBondContact O-N 3.38Å; N364-F367 PolarHBondContact O-N 2.96Å; N364-E368 WeakPolarHBondContact O-CB 3.5Å; N364-E368 PolarHBondContact O-N 3.26Å
365G98.6Very high97.7Very high0 Ų030.5 Ų30.50%015%0.145CC..Hα-helixtrans-64.4-43.7174.700000112.4K361 A362 V363 F367 E368 V369 F517K361-G365 PolarHBondContact O-N 3.36Å; A362-G365 PolarHBondContact O-N 3.31Å; V363-G365 VanDerWaalsContact C-N 3.32Å; V363-G365 PolarHBondContact O-N 3.42Å; G365-F367 VanDerWaalsContact C-N 3.33Å; G365-F367 PolarHBondContact O-N 2.93Å; G365-E368 PolarHBondContact O-N 2.59Å; G365-E368 VanDerWaalsContact O-N 3.16Å; G365-V369 WeakPolarHBondContact O-CG2 3.17Å; G365-V369 PolarHBondContact O-N 2.84Å; G365-F517 WeakPolarHBondContact O-CE2 3.24Å
366L98.7Very high97.9Very high2 Ų229.3 Ų29.31%0.0114%0.136CC..Hα-helixtrans-53.6-49.2169.7171.364.8000111.8A362 V363 E368 V369 V370 L467 F468 F471 M505A362-L366 PolarHBondContact O-N 3.41Å; V363-L366 WeakPolarHBondContact O-CB 3.43Å; V363-L366 PolarHBondContact O-N 2.78Å; L366-E368 VanDerWaalsContact C-N 3.3Å; L366-E368 PolarHBondContact O-N 3.16Å; L366-V369 PolarHBondContact O-N 2.94Å; L366-V370 HydrophobicContact CD1-CG2 4.39Å; L366-V370 VanDerWaalsContact O-CG2 3.27Å; L366-V370 WeakPolarHBondContact O-CG2 3.36Å; L366-V370 PolarHBondContact O-N 2.98Å; L366-L467 HydrophobicContact CD2-CD1 4.39Å; L366-L467 HydrophobicContact CD2-CD2 4.35Å; L366-L467 HydrophobicContact CD2-CG 4.03Å; L366-F468 VanDerWaalsContact CA-CZ 3.4Å; L366-F468 HydrophobicContact CB-CD2 4.27Å; L366-F468 HydrophobicContact CB-CE1 4.34Å; L366-F468 HydrophobicContact CB-CE2 3.62Å; L366-F468 HydrophobicContact CB-CZ 3.66Å; L366-F468 HydrophobicContact CD1-CD1 3.63Å; L366-F468 HydrophobicContact CD1-CD2 3.9Å; L366-F468 HydrophobicContact CD1-CE1 3.66Å; L366-F468 HydrophobicContact CD1-CE2 3.95Å; L366-F468 HydrophobicContact CD1-CG 3.76Å; L366-F468 HydrophobicContact CD1-CZ 3.83Å; L366-F468 HydrophobicContact CG-CE2 4.31Å; L366-F468 HydrophobicContact CG-CZ 4.37Å; L366-F471 HydrophobicContact CD1-CB 3.97Å; L366-F471 HydrophobicContact CD1-CD1 3.72Å; L366-F471 HydrophobicContact CD1-CE1 4.47Å; L366-F471 HydrophobicContact CD1-CG 3.95Å; L366-F471 HydrophobicContact CD2-CB 3.74Å; L366-F471 HydrophobicContact CD2-CD1 4.05Å; L366-F471 HydrophobicContact CD2-CD2 3.74Å; L366-F471 HydrophobicContact CD2-CE2 4.38Å; L366-F471 HydrophobicContact CD2-CG 3.57Å; L366-F471 HydrophobicContact CG-CB 4.37Å; L366-F471 HydrophobicContact CG-CD1 3.99Å; L366-F471 HydrophobicContact CG-CD2 4.5Å; L366-F471 HydrophobicContact CG-CE1 4.42Å; L366-F471 HydrophobicContact CG-CG 4.04Å; L366-M505 HydrophobicContact CD1-CE 4.08Å
367F98.8Very high97.9Very high20 Ų2030.2 Ų30.29%0.08815%0.146CC..Hα-helixtrans-64.2-35.1178.2-60.8-21.5000112.7V363 N364 G365 V370 K371 A378 F394 F407 F471V363-F367 HydrophobicContact CG1-CD2 4.23Å; V363-F367 HydrophobicContact CG1-CE1 4.28Å; V363-F367 HydrophobicContact CG1-CE2 3.53Å; V363-F367 HydrophobicContact CG1-CZ 3.55Å; V363-F367 WeakPolarHBondContact O-CD2 3.43Å; V363-F367 VanDerWaalsContact O-CG 3.32Å; V363-F367 WeakPolarHBondContact O-CG 3.14Å; V363-F367 PolarHBondContact O-N 3.44Å; V363-F367 VanDerWaalsContact O-N 3.13Å; N364-F367 PolarHBondContact O-N 2.96Å; G365-F367 VanDerWaalsContact C-N 3.33Å; G365-F367 PolarHBondContact O-N 2.93Å; F367-V370 PolarHBondContact O-N 2.67Å; F367-K371 VanDerWaalsContact O-CB 3.31Å; F367-K371 WeakPolarHBondContact O-CB 3.5Å; F367-K371 PolarHBondContact O-N 2.84Å; F367-A378 HydrophobicContact CB-CB 4.17Å; F367-A378 HydrophobicContact CD1-CB 3.73Å; F367-A378 HydrophobicContact CD2-CB 3.61Å; F367-A378 HydrophobicContact CE1-CB 3.96Å; F367-A378 HydrophobicContact CE2-CB 3.82Å; F367-A378 HydrophobicContact CG-CB 3.57Å; F367-A378 HydrophobicContact CZ-CB 3.99Å; F367-F394 AromaticContact CE2-CD1 3.86Å; F367-F394 HydrophobicContact CE2-CD1 3.86Å; F367-F394 AromaticContact CE2-CE1 3.62Å; F367-F394 HydrophobicContact CE2-CE1 3.62Å; F367-F394 HydrophobicContact CE2-CZ 4.22Å; F367-F394 AromaticContact CZ-CD1 3.91Å; F367-F394 HydrophobicContact CZ-CD1 3.91Å; F367-F394 AromaticContact CZ-CE1 3.86Å; F367-F394 HydrophobicContact CZ-CE1 3.86Å; F367-F394 HydrophobicContact CZ-CG 4.25Å; F367-F394 HydrophobicContact CZ-CZ 4.14Å; F367-F407 AromaticContact CE1-CZ 3.79Å; F367-F407 HydrophobicContact CE1-CZ 3.79Å; F367-F407 AromaticContact CZ-CZ 3.8Å; F367-F407 HydrophobicContact CZ-CZ 3.8Å; F367-F471 HydrophobicContact CD1-CZ 4.21Å; F367-F471 AromaticContact CE1-CE2 3.91Å; F367-F471 HydrophobicContact CE1-CE2 3.91Å; F367-F471 HydrophobicContact CE1-CZ 4.02Å
368E98.7Very high98Very high56 Ų5631.2 Ų31.226%0.26215%0.154SC..Hα-helixtrans-69.1-39.5175.7-18063.9-169.600112N364 G365 L366 K371 R372 F517N364-E368 WeakPolarHBondContact O-CB 3.5Å; N364-E368 PolarHBondContact O-N 3.26Å; G365-E368 PolarHBondContact O-N 2.59Å; G365-E368 VanDerWaalsContact O-N 3.16Å; L366-E368 VanDerWaalsContact C-N 3.3Å; L366-E368 PolarHBondContact O-N 3.16Å; E368-K371 PolarHBondContact O-N 3.31Å; E368-R372 WeakPolarHBondContact O-CG 3.44Å; E368-R372 PolarHBondContact O-N 3.21Å; E368-R372 IonicContact OE1-CZ 3.84Å; E368-R372 VanDerWaalsContact OE1-CZ 3.3Å; E368-R372 IonicContact OE1-NE 3.83Å; E368-R372 PolarHBondContact OE1-NE 3.47Å; E368-R372 IonicContact OE1-NH2 2.67Å; E368-R372 PolarHBondContact OE1-NH2 3.26Å; E368-F517 HydrophobicContact CB-CD2 3.86Å; E368-F517 HydrophobicContact CB-CE2 3.71Å; E368-F517 HydrophobicContact CG-CD2 3.69Å; E368-F517 HydrophobicContact CG-CE2 3.56Å; E368-F517 HydrophobicContact CG-CG 4.28Å; E368-F517 HydrophobicContact CG-CZ 4.04Å
369V98.7Very high98.1Very high0 Ų035.3 Ų35.30%017%0.171CC..Hα-helixtrans-56.1-54171.5167.80000109.5G365 L366 K371 R372 I373 F468 M505 W508 A514 F517 I518 F624G365-V369 WeakPolarHBondContact O-CG2 3.17Å; G365-V369 PolarHBondContact O-N 2.84Å; L366-V369 PolarHBondContact O-N 2.94Å; V369-K371 VanDerWaalsContact C-N 3.29Å; V369-K371 PolarHBondContact O-N 3.12Å; V369-R372 PolarHBondContact O-N 3.05Å; V369-I373 HydrophobicContact CG1-CD1 3.92Å; V369-I373 VanDerWaalsContact O-CG1 3.3Å; V369-I373 WeakPolarHBondContact O-CG1 3.47Å; V369-I373 PolarHBondContact O-N 3.38Å; V369-F468 HydrophobicContact CB-CE1 4.35Å; V369-F468 HydrophobicContact CG1-CE1 4.49Å; V369-F468 HydrophobicContact CG2-CE1 4.09Å; V369-F468 HydrophobicContact CG2-CZ 4.4Å; V369-M505 HydrophobicContact CG1-CE 4.04Å; V369-W508 HydrophobicContact CG1-CB 4.14Å; V369-W508 HydrophobicContact CG1-CD2 3.75Å; V369-W508 HydrophobicContact CG1-CE3 4.38Å; V369-W508 HydrophobicContact CG1-CG 3.61Å; V369-W508 HydrophobicContact CG2-CB 4.18Å; V369-W508 HydrophobicContact CG2-CG 4.22Å; V369-A514 HydrophobicContact CG2-CB 4.34Å; V369-F517 HydrophobicContact CG2-CE2 3.71Å; V369-F517 HydrophobicContact CG2-CZ 3.87Å; V369-I518 HydrophobicContact CG2-CD1 4.07Å; V369-F624 HydrophobicContact CG1-CE1 4.47Å; V369-F624 HydrophobicContact CG2-CE1 4.29Å
370V98.4Very high98.2Very high2 Ų238.2 Ų38.21%0.01219%0.185CC..Hα-helixtrans-59-39.2-178.4167.10000112L366 F367 Y374 I376 F471 L475 M505L366-V370 HydrophobicContact CD1-CG2 4.39Å; L366-V370 VanDerWaalsContact O-CG2 3.27Å; L366-V370 WeakPolarHBondContact O-CG2 3.36Å; L366-V370 PolarHBondContact O-N 2.98Å; F367-V370 PolarHBondContact O-N 2.67Å; V370-Y374 HydrophobicContact CG1-CD2 4.35Å; V370-Y374 WeakPolarHBondContact O-CB 3.41Å; V370-Y374 PolarHBondContact O-N 3.28Å; V370-I376 HydrophobicContact CG1-CB 3.79Å; V370-I376 HydrophobicContact CG1-CG2 4.06Å; V370-F471 HydrophobicContact CG1-CE1 4.39Å; V370-F471 HydrophobicContact CG2-CD1 4.03Å; V370-F471 HydrophobicContact CG2-CE1 3.66Å; V370-L475 HydrophobicContact CG1-CD2 4.23Å; V370-L475 HydrophobicContact CG2-CD1 3.99Å; V370-M505 HydrophobicContact CG2-CE 4.07Å
371K98.5Very high98.3Very high103 Ų10337.6 Ų37.645%0.44818%0.176SC..Hα-helixtrans-64.1-43.9174-175.8-176.8175.7-171.80112.4F367 E368 V369 G375 I376F367-K371 VanDerWaalsContact O-CB 3.31Å; F367-K371 WeakPolarHBondContact O-CB 3.5Å; F367-K371 PolarHBondContact O-N 2.84Å; E368-K371 PolarHBondContact O-N 3.31Å; V369-K371 VanDerWaalsContact C-N 3.29Å; V369-K371 PolarHBondContact O-N 3.12Å; K371-G375 WeakPolarHBondContact O-CA 3.21Å; K371-G375 PolarHBondContact O-N 2.85Å; K371-I376 WeakPolarHBondContact CA-O 3.35Å; K371-I376 WeakPolarHBondContact CB-O 3.46Å; K371-I376 PolarHBondContact N-O 2.82Å
372R98.2Very high98.3Very high96 Ų9642.3 Ų42.336%0.36220%0.197SC..Hα-helixtrans-68.3-41.9-178.7-72.2179.6-173-163.47.7112.5E368 V369 F517 F624 R626E368-R372 WeakPolarHBondContact O-CG 3.44Å; E368-R372 PolarHBondContact O-N 3.21Å; E368-R372 IonicContact OE1-CZ 3.84Å; E368-R372 VanDerWaalsContact OE1-CZ 3.3Å; E368-R372 IonicContact OE1-NE 3.83Å; E368-R372 PolarHBondContact OE1-NE 3.47Å; E368-R372 IonicContact OE1-NH2 2.67Å; E368-R372 PolarHBondContact OE1-NH2 3.26Å; V369-R372 PolarHBondContact O-N 3.05Å; R372-F517 VanDerWaalsContact CZ-CE1 3.5Å; R372-F517 VanDerWaalsContact NH1-CE1 3.28Å; R372-F624 HydrophobicContact CB-CD1 3.61Å; R372-F624 HydrophobicContact CB-CE1 4.14Å; R372-F624 HydrophobicContact CB-CG 4.28Å; R372-F624 HydrophobicContact CG-CD1 4.36Å; R372-R626 WeakPolarHBondContact O-CD 3.22Å
373I97.6Very high98.2Very high0 Ų047.8 Ų47.80%023%0.226CC..Hα-helixtrans-82.1-38.5-175.666.9-173.7000112.1V369 M505 W508 F624 R626 G629V369-I373 HydrophobicContact CG1-CD1 3.92Å; V369-I373 VanDerWaalsContact O-CG1 3.3Å; V369-I373 WeakPolarHBondContact O-CG1 3.47Å; V369-I373 PolarHBondContact O-N 3.38Å; I373-M505 HydrophobicContact CD1-SD 4.1Å; I373-W508 HydrophobicContact CD1-CH2 4.03Å; I373-W508 HydrophobicContact CD1-CZ2 4.1Å; I373-W508 HydrophobicContact CD1-CZ3 4.43Å; I373-W508 HydrophobicContact CG2-CZ2 3.69Å; I373-F624 HydrophobicContact CG2-CD1 3.87Å; I373-F624 HydrophobicContact CG2-CE1 4.4Å; I373-R626 PolarHBondContact O-NH1 3.36Å; I373-R626 VanDerWaalsContact O-NH1 3.17Å; I373-G629 CarbonylContact O-C 3.27Å; I373-G629 WeakPolarHBondContact O-CA 3.5Å
374Y97.7Very high98.2Very high4 Ų448.6 Ų48.62%0.01623%0.231CC..Hα-helixtrans-117-7.6-172.2-55.3-44.1000115.1V370 I376 L475 L479 F504 M505 R626 G629 F632 L633 L637V370-Y374 HydrophobicContact CG1-CD2 4.35Å; V370-Y374 WeakPolarHBondContact O-CB 3.41Å; V370-Y374 PolarHBondContact O-N 3.28Å; Y374-I376 PolarHBondContact O-N 3.09Å; Y374-L475 HydrophobicContact CD2-CD1 4.45Å; Y374-L475 HydrophobicContact CE2-CD1 3.96Å; Y374-L479 HydrophobicContact CD2-CD1 4.35Å; Y374-F504 VanDerWaalsContact OH-CE1 3.3Å; Y374-F504 WeakPolarHBondContact OH-CE1 3.34Å; Y374-M505 HydrophobicContact CE2-SD 4.42Å; Y374-R626 PolarHBondContact O-NH2 3.47Å; Y374-G629 WeakPolarHBondContact CD1-O 3.42Å; Y374-G629 WeakPolarHBondContact CE1-O 3.28Å; Y374-F632 HydrophobicContact CE1-CD1 4.18Å; Y374-F632 VanDerWaalsContact OH-CD1 3.27Å; Y374-F632 WeakPolarHBondContact OH-CD1 3.09Å; Y374-L633 HydrophobicContact CD1-CB 3.9Å; Y374-L633 HydrophobicContact CE1-CB 4.27Å; Y374-L637 HydrophobicContact CD2-CD1 4.37Å; Y374-L637 HydrophobicContact CE1-CD1 4.06Å; Y374-L637 HydrophobicContact CE2-CD1 3.72Å
375G97.9Very high98.2Very high6 Ų646.4 Ų46.46%0.06222%0.219CC..  trans7119.1-173.600000113.6K371 E399K371-G375 WeakPolarHBondContact O-CA 3.21Å; K371-G375 PolarHBondContact O-N 2.85Å; G375-E399 WeakPolarHBondContact O-CG 3.45Å
376I98.5Very high98.2Very high6 Ų648.2 Ų48.23%0.03123%0.23CC..  trans-96.9128.2-176.6-59.2-57.7000111.1V370 K371 Y374 L396 Y397 D398 R404 L479V370-I376 HydrophobicContact CG1-CB 3.79Å; V370-I376 HydrophobicContact CG1-CG2 4.06Å; K371-I376 WeakPolarHBondContact CA-O 3.35Å; K371-I376 WeakPolarHBondContact CB-O 3.46Å; K371-I376 PolarHBondContact N-O 2.82Å; Y374-I376 PolarHBondContact O-N 3.09Å; I376-L396 HydrophobicContact CG2-CB 3.82Å; I376-L396 HydrophobicContact CG2-CD1 4.34Å; I376-L396 HydrophobicContact CG2-CD2 4.19Å; I376-L396 HydrophobicContact CG2-CG 4.34Å; I376-Y397 CarbonylContact C-O 3.51Å; I376-Y397 WeakPolarHBondContact CA-O 3.46Å; I376-D398 HydrophobicContact CD1-CB 3.84Å; I376-R404 HydrophobicContact CD1-CG 4.06Å; I376-L479 HydrophobicContact CD1-CD2 4.11Å; I376-L479 HydrophobicContact CG1-CD1 4.03Å; I376-L479 HydrophobicContact CG1-CD2 4.05Å; I376-L479 HydrophobicContact CG2-CD2 4.33Å
377T98.7Very high98.2Very high53 Ų5348.8 Ų48.833%0.32523%0.232SC..EExtended strand (participates in β ladder)trans-109.1123.4179-600000110.9K379 Y397T377-K379 HydrophobicContact CG2-CG 4.45Å; T377-Y397 PolarHBondContact N-O 3Å; T377-Y397 PolarHBondContact O-N 3.2Å
378A98.7Very high98.1Very high21 Ų2150.2 Ų50.217%0.17424%0.239CC..EExtended strand (participates in β ladder)trans-84.4137.9171.800000111.7F367 E395 L396F367-A378 HydrophobicContact CB-CB 4.17Å; F367-A378 HydrophobicContact CD1-CB 3.73Å; F367-A378 HydrophobicContact CD2-CB 3.61Å; F367-A378 HydrophobicContact CE1-CB 3.96Å; F367-A378 HydrophobicContact CE2-CB 3.82Å; F367-A378 HydrophobicContact CG-CB 3.57Å; F367-A378 HydrophobicContact CZ-CB 3.99Å; A378-E395 CarbonylContact C-O 3.58Å; A378-E395 WeakPolarHBondContact CA-O 3.46Å; A378-L396 HydrophobicContact CB-CD2 3.69Å
379K98.4Very high98Very high89 Ų8953 Ų5339%0.38726%0.262SS..EExtended strand (participates in β ladder)trans-130.9127.3173.9-62.6-179-170.5160.50109.7T377 F394 E395 Y397T377-K379 HydrophobicContact CG2-CG 4.45Å; K379-F394 CarbonylContact O-C 3.53Å; K379-F394 VanDerWaalsContact O-CA 3.29Å; K379-F394 WeakPolarHBondContact O-CA 3.34Å; K379-E395 PolarHBondContact N-O 2.88Å; K379-E395 PolarHBondContact O-N 2.88Å; K379-Y397 HydrophobicContact CB-CD2 4.38Å; K379-Y397 HydrophobicContact CB-CE2 4.17Å; K379-Y397 HydrophobicContact CD-CD2 3.75Å; K379-Y397 HydrophobicContact CD-CE2 3.75Å; K379-Y397 HydrophobicContact CG-CD2 4.05Å; K379-Y397 HydrophobicContact CG-CE2 4.21Å
380E98.5Very high97.8Very high81 Ų8156.3 Ų56.338%0.37928%0.28SS..EExtended strand (participates in β ladder)trans-75.6135.9176.6-171.6169.4-171.500110.9R392 F393 F394E380-R392 IonicContact OE1-CZ 2.75Å; E380-R392 IonicContact OE1-NE 3.73Å; E380-R392 PolarHBondContact OE1-NE 3.39Å; E380-R392 IonicContact OE1-NH2 3.33Å; E380-R392 IonicContact OE2-CZ 3.71Å; E380-R392 IonicContact OE2-NE 2.8Å; E380-R392 IonicContact OE2-NH2 3.04Å; E380-R392 PolarHBondContact OE2-NH2 3.05Å; E380-F393 WeakPolarHBondContact CA-O 3.4Å; E380-F394 HydrophobicContact CB-CD1 3.74Å; E380-F394 HydrophobicContact CB-CE1 3.68Å; E380-F394 HydrophobicContact CG-CD1 4.22Å; E380-F394 HydrophobicContact CG-CE1 3.96Å; E380-F394 HydrophobicContact CG-CZ 4.39Å
381R97.8Very high97.8Very high73 Ų7356.7 Ų56.728%0.27528%0.282SS..EExtended strand (participates in β ladder)trans-121.1130.1175.8-177.6-176.7172.9-171.4-5.6109D383 V384 F393 E395R381-D383 WeakPolarHBondContact CG-OD1 3.42Å; R381-D383 IonicContact CZ-OD1 3.85Å; R381-D383 IonicContact CZ-OD2 2.71Å; R381-D383 VanDerWaalsContact NE-CG 3.3Å; R381-D383 IonicContact NE-OD1 2.6Å; R381-D383 PolarHBondContact NE-OD1 3.36Å; R381-D383 IonicContact NE-OD2 2.65Å; R381-D383 PolarHBondContact NE-OD2 3.46Å; R381-D383 IonicContact NH2-OD2 3.87Å; R381-D383 PolarHBondContact NH2-OD2 3.06Å; R381-V384 HydrophobicContact CB-CG2 4.41Å; R381-V384 HydrophobicContact CG-CG2 3.92Å; R381-F393 HydrophobicContact CB-CD1 4.07Å; R381-F393 PolarHBondContact N-O 2.87Å; R381-E395 WeakPolarHBondContact CD-OE1 3.42Å; R381-E395 IonicContact NH1-OE1 3.58Å; R381-E395 PolarHBondContact NH1-OE1 3.1Å
382K97.5Very high97.8Very high180 Ų18054.7 Ų54.778%0.78327%0.272SS*.  trans-106.3-13.1-169.9-62.8-173.7177.6-174.60114.2V384K382-V384 PolarHBondContact O-N 3.42Å
383D96.5Very high97.8Very high115 Ų11550.3 Ų50.362%0.61526%0.255SS*.SBendtrans-88.839.3178.861.9-56.5000112.2R381R381-D383 WeakPolarHBondContact CG-OD1 3.42Å; R381-D383 IonicContact CZ-OD1 3.85Å; R381-D383 IonicContact CZ-OD2 2.71Å; R381-D383 VanDerWaalsContact NE-CG 3.3Å; R381-D383 IonicContact NE-OD1 2.6Å; R381-D383 PolarHBondContact NE-OD1 3.36Å; R381-D383 IonicContact NE-OD2 2.65Å; R381-D383 PolarHBondContact NE-OD2 3.46Å; R381-D383 IonicContact NH2-OD2 3.87Å; R381-D383 PolarHBondContact NH2-OD2 3.06Å
384V98.2Very high97.9Very high20 Ų2050.5 Ų50.512%0.12126%0.256CS..SBendtrans-116.8134.7-177.6-178.60000109.9L11 R381 K382 F393 Y408L11-V384 HydrophobicContact CD1-CG1 3.8Å; L11-V384 HydrophobicContact CD1-CG2 4.08Å; R381-V384 HydrophobicContact CB-CG2 4.41Å; R381-V384 HydrophobicContact CG-CG2 3.92Å; K382-V384 PolarHBondContact O-N 3.42Å; V384-F393 HydrophobicContact CB-CB 4.01Å; V384-F393 HydrophobicContact CB-CD1 4.45Å; V384-F393 HydrophobicContact CB-CG 4.13Å; V384-F393 HydrophobicContact CG1-CB 4.12Å; V384-F393 HydrophobicContact CG1-CD1 4.48Å; V384-F393 HydrophobicContact CG1-CD2 3.91Å; V384-F393 HydrophobicContact CG1-CE2 4.39Å; V384-F393 HydrophobicContact CG1-CG 3.92Å; V384-F393 HydrophobicContact CG2-CB 4.05Å; V384-F393 HydrophobicContact CG2-CD1 3.65Å; V384-F393 HydrophobicContact CG2-CE1 4.13Å; V384-F393 HydrophobicContact CG2-CG 3.83Å; V384-Y408 HydrophobicContact CG1-CE1 3.67Å
385D98.2Very high98Very high47 Ų4751.6 Ų51.625%0.25126%0.261SS..  trans-70.5131174.9-164.9-6.1000109.8P13 F14 S15P13-D385 WeakPolarHBondContact CA-OD2 3.47Å; F14-D385 WeakPolarHBondContact CD2-O 3.15Å; F14-D385 PolarHBondContact N-OD2 3.48Å; S15-D385 WeakPolarHBondContact CB-OD1 3.25Å; S15-D385 WeakPolarHBondContact CB-OD2 3.29Å; S15-D385 PolarHBondContact N-OD1 2.79Å; S15-D385 PolarHBondContact N-OD2 2.99Å; S15-D385 VanDerWaalsContact OG-CG 3.26Å; S15-D385 PolarHBondContact OG-OD1 2.86Å; S15-D385 PolarHBondContact OG-OD2 3.36Å
386V98.3Very high98Very high38 Ų3851.3 Ų51.323%0.2326%0.259CS..  trans-136.1151-174.8-66.50000110.7H388 V391 Y408V386-H388 WeakPolarHBondContact CG2-O 3.41Å; V386-V391 HydrophobicContact CB-CB 3.96Å; V386-V391 HydrophobicContact CB-CG1 4.08Å; V386-V391 HydrophobicContact CG1-CB 4.08Å; V386-V391 HydrophobicContact CG1-CG1 3.78Å; V386-V391 HydrophobicContact CG2-CB 4.49Å; V386-Y408 HydrophobicContact CG1-CD1 4.11Å; V386-Y408 HydrophobicContact CG1-CE1 4.06Å
387W97.6Very high98Very high14 Ų1453.1 Ų53.15%0.05327%0.265CS..SBendtrans-79.8-18.4-177.35789.5000114.2F14 H72 L73 V76 K77 V391 Y408 D410 Y443F14-W387 HydrophobicContact CB-CB 4.37Å; F14-W387 HydrophobicContact CD1-CB 4.36Å; F14-W387 AromaticContact CD1-CE3 3.84Å; F14-W387 HydrophobicContact CD1-CE3 3.84Å; F14-W387 AromaticContact CD2-CE3 3.71Å; F14-W387 HydrophobicContact CD2-CE3 3.71Å; F14-W387 HydrophobicContact CD2-CZ3 4.1Å; F14-W387 AromaticContact CE1-CE3 3.7Å; F14-W387 HydrophobicContact CE1-CE3 3.7Å; F14-W387 HydrophobicContact CE1-CZ3 4.11Å; F14-W387 AromaticContact CE2-CE3 3.56Å; F14-W387 HydrophobicContact CE2-CE3 3.56Å; F14-W387 AromaticContact CE2-CZ3 3.5Å; F14-W387 HydrophobicContact CE2-CZ3 3.5Å; F14-W387 HydrophobicContact CG-CB 4.45Å; F14-W387 AromaticContact CG-CE3 3.85Å; F14-W387 HydrophobicContact CG-CE3 3.85Å; F14-W387 AromaticContact CZ-CE3 3.55Å; F14-W387 HydrophobicContact CZ-CE3 3.55Å; F14-W387 AromaticContact CZ-CZ3 3.51Å; F14-W387 HydrophobicContact CZ-CZ3 3.51Å; H72-W387 AromaticContact CD2-CE2 3.95Å; H72-W387 AromaticContact CD2-CE3 3.9Å; H72-W387 AromaticContact CD2-CH2 3.68Å; H72-W387 AromaticContact CD2-CZ2 3.82Å; H72-W387 AromaticContact CD2-CZ3 3.74Å; H72-W387 AromaticContact CE1-CH2 3.93Å; H72-W387 AromaticContact CE1-CZ2 3.84Å; H72-W387 AromaticContact NE2-CD2 3.86Å; H72-W387 AromaticContact NE2-CE2 3.31Å; H72-W387 VanDerWaalsContact NE2-CE2 3.31Å; H72-W387 AromaticContact NE2-CE3 3.98Å; H72-W387 AromaticContact NE2-CH2 3.04Å; H72-W387 WeakPolarHBondContact NE2-CH2 3.5Å; H72-W387 AromaticContact NE2-CZ2 2.89Å; H72-W387 WeakPolarHBondContact NE2-CZ2 3.36Å; H72-W387 AromaticContact NE2-CZ3 3.61Å; L73-W387 HydrophobicContact CD2-CB 3.53Å; L73-W387 HydrophobicContact CD2-CG 4.24Å; V76-W387 HydrophobicContact CG2-CD2 4.19Å; V76-W387 HydrophobicContact CG2-CG 3.96Å; V76-W387 VanDerWaalsContact CG2-NE1 3.28Å; K77-W387 HydrophobicContact CD-CB 4.5Å; K77-W387 PolarHBondContact NZ-O 3.07Å; W387-V391 HydrophobicContact CD2-CG2 4.21Å; W387-V391 HydrophobicContact CH2-CG1 3.89Å; W387-V391 HydrophobicContact CZ2-CB 4.45Å; W387-V391 HydrophobicContact CZ2-CG1 3.85Å; W387-V391 HydrophobicContact CZ2-CG2 3.71Å; W387-V391 HydrophobicContact CZ3-CG1 4.33Å; W387-Y408 AromaticContact CH2-CD1 3.96Å; W387-Y408 HydrophobicContact CH2-CD1 3.96Å; W387-Y408 AromaticContact CH2-CG 3.83Å; W387-Y408 HydrophobicContact CH2-CG 3.83Å; W387-Y408 AromaticContact CZ3-CD1 3.66Å; W387-Y408 HydrophobicContact CZ3-CD1 3.66Å; W387-Y408 HydrophobicContact CZ3-CD2 4.48Å; W387-Y408 HydrophobicContact CZ3-CE1 4.18Å; W387-Y408 AromaticContact CZ3-CG 3.84Å; W387-Y408 HydrophobicContact CZ3-CG 3.84Å; W387-D410 HydrophobicContact CZ2-CB 3.88Å; W387-D410 PolarHBondContact NE1-OD2 3.44Å; W387-Y443 AromaticContact CH2-CD1 3.9Å; W387-Y443 HydrophobicContact CH2-CD1 3.9Å; W387-Y443 HydrophobicContact CH2-CE1 4.33Å; W387-Y443 HydrophobicContact CZ3-CD1 4.15Å; W387-Y443 HydrophobicContact CZ3-CE1 4.11Å
388H97.5Very high98Very high51 Ų5151.5 Ų51.524%0.23626%0.255CS..SBendtrans-146.1141.7-178.6-169.3-89.2000110.6V386 D390 V391V386-H388 WeakPolarHBondContact CG2-O 3.41Å; H388-D390 IonicContact CE1-OD2 2.74Å; H388-D390 PolarHBondContact CE1-OD2 2.89Å; H388-D390 PolarHBondContact ND1-N 3.47Å; H388-D390 IonicContact ND1-OD2 3.49Å; H388-D390 PolarHBondContact O-N 3.47Å; H388-V391 HydrophobicContact CB-CG2 3.91Å; H388-V391 VanDerWaalsContact O-CB 3.32Å; H388-V391 WeakPolarHBondContact O-CB 3.31Å; H388-V391 WeakPolarHBondContact O-CG2 3.22Å; H388-V391 PolarHBondContact O-N 2.85Å
389P96Very high97.8Very high115 Ų11556.8 Ų56.875%0.74728%0.276SS*.THydrogen-bonded Turntrans-63-22.2-175.721.1-33.4000115.3V391P389-V391 VanDerWaalsContact C-N 3.26Å
390D95.6Very high97.7Very high69 Ų6958.5 Ų58.537%0.36929%0.289SS..THydrogen-bonded Turntrans-80.3-6.9176-62.8-22.3000113.4H388 Y412H388-D390 IonicContact CE1-OD2 2.74Å; H388-D390 PolarHBondContact CE1-OD2 2.89Å; H388-D390 PolarHBondContact ND1-N 3.47Å; H388-D390 IonicContact ND1-OD2 3.49Å; H388-D390 PolarHBondContact O-N 3.47Å; D390-Y412 HydrophobicContact CB-CD2 3.68Å; D390-Y412 HydrophobicContact CB-CE2 3.75Å; D390-Y412 WeakPolarHBondContact OD2-CD2 3.22Å
391V98.4Very high97.7Very high10 Ų1060.2 Ų60.26%0.06130%0.301CS..  trans-79.7130.6-179.71780000109.4V386 W387 H388 P389 Y408 L409 D410V386-V391 HydrophobicContact CB-CB 3.96Å; V386-V391 HydrophobicContact CB-CG1 4.08Å; V386-V391 HydrophobicContact CG1-CB 4.08Å; V386-V391 HydrophobicContact CG1-CG1 3.78Å; V386-V391 HydrophobicContact CG2-CB 4.49Å; W387-V391 HydrophobicContact CD2-CG2 4.21Å; W387-V391 HydrophobicContact CH2-CG1 3.89Å; W387-V391 HydrophobicContact CZ2-CB 4.45Å; W387-V391 HydrophobicContact CZ2-CG1 3.85Å; W387-V391 HydrophobicContact CZ2-CG2 3.71Å; W387-V391 HydrophobicContact CZ3-CG1 4.33Å; H388-V391 HydrophobicContact CB-CG2 3.91Å; H388-V391 VanDerWaalsContact O-CB 3.32Å; H388-V391 WeakPolarHBondContact O-CB 3.31Å; H388-V391 WeakPolarHBondContact O-CG2 3.22Å; H388-V391 PolarHBondContact O-N 2.85Å; P389-V391 VanDerWaalsContact C-N 3.26Å; V391-Y408 HydrophobicContact CG1-CD1 4Å; V391-L409 WeakPolarHBondContact CA-O 3.28Å; V391-D410 HydrophobicContact CG2-CB 3.97Å
392R98.5Very high97.7Very high60 Ų6061.7 Ų61.723%0.22631%0.311CS..EExtended strand (participates in β ladder)trans-111.9154.6177.8-63.3168.266.6-160.5-1.6109.8E359 E380 F394 Y408 L409E359-R392 IonicContact OE1-NH1 2.79Å; E359-R392 PolarHBondContact OE1-NH1 3.05Å; E359-R392 VanDerWaalsContact OE1-NH1 3.14Å; E380-R392 IonicContact OE1-CZ 2.75Å; E380-R392 IonicContact OE1-NE 3.73Å; E380-R392 PolarHBondContact OE1-NE 3.39Å; E380-R392 IonicContact OE1-NH2 3.33Å; E380-R392 IonicContact OE2-CZ 3.71Å; E380-R392 IonicContact OE2-NE 2.8Å; E380-R392 IonicContact OE2-NH2 3.04Å; E380-R392 PolarHBondContact OE2-NH2 3.05Å; R392-F394 HydrophobicContact CB-CD2 4.46Å; R392-F394 HydrophobicContact CB-CE2 3.63Å; R392-F394 HydrophobicContact CB-CZ 4.1Å; R392-F394 VanDerWaalsContact CZ-CZ 3.46Å; R392-F394 VanDerWaalsContact NH2-CZ 3.34Å; R392-Y408 CarbonylContact O-C 3.57Å; R392-Y408 WeakPolarHBondContact O-CA 3.35Å; R392-L409 PolarHBondContact N-O 3.41Å; R392-L409 PolarHBondContact O-N 2.72Å
393F98.8Very high97.7Very high4 Ų455.2 Ų55.22%0.01829%0.285CS..EExtended strand (participates in β ladder)trans-125.8138.3177.4-173.8-87.2000110.9L11 E380 R381 V384 E395 F407 Y408 V441L11-F393 HydrophobicContact CD1-CE1 4.12Å; L11-F393 HydrophobicContact CD1-CE2 3.96Å; L11-F393 HydrophobicContact CD1-CZ 3.58Å; L11-F393 HydrophobicContact CD2-CE2 4.04Å; L11-F393 HydrophobicContact CD2-CZ 3.91Å; L11-F393 HydrophobicContact CG-CZ 4.43Å; E380-F393 WeakPolarHBondContact CA-O 3.4Å; R381-F393 HydrophobicContact CB-CD1 4.07Å; R381-F393 PolarHBondContact N-O 2.87Å; V384-F393 HydrophobicContact CB-CB 4.01Å; V384-F393 HydrophobicContact CB-CD1 4.45Å; V384-F393 HydrophobicContact CB-CG 4.13Å; V384-F393 HydrophobicContact CG1-CB 4.12Å; V384-F393 HydrophobicContact CG1-CD1 4.48Å; V384-F393 HydrophobicContact CG1-CD2 3.91Å; V384-F393 HydrophobicContact CG1-CE2 4.39Å; V384-F393 HydrophobicContact CG1-CG 3.92Å; V384-F393 HydrophobicContact CG2-CB 4.05Å; V384-F393 HydrophobicContact CG2-CD1 3.65Å; V384-F393 HydrophobicContact CG2-CE1 4.13Å; V384-F393 HydrophobicContact CG2-CG 3.83Å; F393-E395 HydrophobicContact CE1-CG 3.93Å; F393-F407 WeakPolarHBondContact CA-O 3.22Å; F393-F407 WeakPolarHBondContact CD2-O 3.34Å; F393-Y408 AromaticContact CD2-CD1 3.73Å; F393-Y408 HydrophobicContact CD2-CD1 3.73Å; F393-Y408 AromaticContact CD2-CD2 3.89Å; F393-Y408 HydrophobicContact CD2-CD2 3.89Å; F393-Y408 AromaticContact CD2-CE1 3.65Å; F393-Y408 HydrophobicContact CD2-CE1 3.65Å; F393-Y408 AromaticContact CD2-CE2 3.8Å; F393-Y408 HydrophobicContact CD2-CE2 3.8Å; F393-Y408 AromaticContact CD2-CG 3.84Å; F393-Y408 HydrophobicContact CD2-CG 3.84Å; F393-Y408 AromaticContact CD2-CZ 3.67Å; F393-Y408 AromaticContact CE2-CD2 3.96Å; F393-Y408 HydrophobicContact CE2-CD2 3.96Å; F393-Y408 HydrophobicContact CE2-CE1 4.22Å; F393-Y408 AromaticContact CE2-CE2 3.62Å; F393-Y408 HydrophobicContact CE2-CE2 3.62Å; F393-Y408 HydrophobicContact CE2-CG 4.39Å; F393-Y408 AromaticContact CE2-CZ 3.75Å; F393-V441 HydrophobicContact CE2-CG1 4.07Å
394F98.9Very high97.8Very high4 Ų451 Ų512%0.01826%0.26CS..EExtended strand (participates in β ladder)trans-135.4151.9-177-58.7-96.9000111.7F367 K379 E380 R392 S406 F407 L409F367-F394 AromaticContact CE2-CD1 3.86Å; F367-F394 HydrophobicContact CE2-CD1 3.86Å; F367-F394 AromaticContact CE2-CE1 3.62Å; F367-F394 HydrophobicContact CE2-CE1 3.62Å; F367-F394 HydrophobicContact CE2-CZ 4.22Å; F367-F394 AromaticContact CZ-CD1 3.91Å; F367-F394 HydrophobicContact CZ-CD1 3.91Å; F367-F394 AromaticContact CZ-CE1 3.86Å; F367-F394 HydrophobicContact CZ-CE1 3.86Å; F367-F394 HydrophobicContact CZ-CG 4.25Å; F367-F394 HydrophobicContact CZ-CZ 4.14Å; K379-F394 CarbonylContact O-C 3.53Å; K379-F394 VanDerWaalsContact O-CA 3.29Å; K379-F394 WeakPolarHBondContact O-CA 3.34Å; E380-F394 HydrophobicContact CB-CD1 3.74Å; E380-F394 HydrophobicContact CB-CE1 3.68Å; E380-F394 HydrophobicContact CG-CD1 4.22Å; E380-F394 HydrophobicContact CG-CE1 3.96Å; E380-F394 HydrophobicContact CG-CZ 4.39Å; R392-F394 HydrophobicContact CB-CD2 4.46Å; R392-F394 HydrophobicContact CB-CE2 3.63Å; R392-F394 HydrophobicContact CB-CZ 4.1Å; R392-F394 VanDerWaalsContact CZ-CZ 3.46Å; R392-F394 VanDerWaalsContact NH2-CZ 3.34Å; F394-S406 CarbonylContact O-C 3.53Å; F394-S406 WeakPolarHBondContact O-CA 3.44Å; F394-S406 VanDerWaalsContact O-CB 3.26Å; F394-S406 WeakPolarHBondContact O-CB 3.46Å; F394-F407 HydrophobicContact CB-CD1 4Å; F394-F407 HydrophobicContact CB-CE1 3.38Å; F394-F407 HydrophobicContact CB-CE2 4.14Å; F394-F407 HydrophobicContact CB-CZ 3.44Å; F394-F407 VanDerWaalsContact CB-CZ 3.44Å; F394-F407 HydrophobicContact CD2-CD2 4.25Å; F394-F407 HydrophobicContact CD2-CE1 4.32Å; F394-F407 AromaticContact CD2-CE2 3.5Å; F394-F407 HydrophobicContact CD2-CE2 3.5Å; F394-F407 AromaticContact CD2-CZ 3.53Å; F394-F407 HydrophobicContact CD2-CZ 3.53Å; F394-F407 HydrophobicContact CE2-CE2 4.17Å; F394-F407 HydrophobicContact CE2-CZ 4.36Å; F394-F407 HydrophobicContact CG-CE1 4.1Å; F394-F407 HydrophobicContact CG-CE2 4.1Å; F394-F407 AromaticContact CG-CZ 3.62Å; F394-F407 HydrophobicContact CG-CZ 3.62Å; F394-F407 PolarHBondContact N-O 2.89Å; F394-F407 PolarHBondContact O-N 2.98Å; F394-L409 HydrophobicContact CD2-CB 4.29Å; F394-L409 HydrophobicContact CE2-CB 3.9Å; F394-L409 HydrophobicContact CE2-CD2 3.73Å; F394-L409 HydrophobicContact CE2-CG 4.48Å; F394-L409 HydrophobicContact CZ-CD2 4.28Å
395E98.8Very high97.8Very high28 Ų2850 Ų5013%0.13125%0.254CS..EExtended strand (participates in β ladder)trans-117.5139.4175.2-67.8178.6164.400109.5A378 K379 R381 F393 Y397 L403A378-E395 CarbonylContact C-O 3.58Å; A378-E395 WeakPolarHBondContact CA-O 3.46Å; K379-E395 PolarHBondContact N-O 2.88Å; K379-E395 PolarHBondContact O-N 2.88Å; R381-E395 WeakPolarHBondContact CD-OE1 3.42Å; R381-E395 IonicContact NH1-OE1 3.58Å; R381-E395 PolarHBondContact NH1-OE1 3.1Å; F393-E395 HydrophobicContact CE1-CG 3.93Å; E395-Y397 HydrophobicContact CB-CD2 4.28Å; E395-Y397 HydrophobicContact CB-CE2 3.5Å; E395-Y397 PolarHBondContact OE2-OH 3.45Å; E395-L403 HydrophobicContact CB-CD1 3.75Å; E395-L403 HydrophobicContact CG-CD1 4.15Å
396L98.7Very high97.8Very high0 Ų048.1 Ų48.10%025%0.245CC..EExtended strand (participates in β ladder)trans-105.6122.1179.7-61.3-172.8000110.5I376 A378 R404 G405 F407 F471 L475 M478 L479I376-L396 HydrophobicContact CG2-CB 3.82Å; I376-L396 HydrophobicContact CG2-CD1 4.34Å; I376-L396 HydrophobicContact CG2-CD2 4.19Å; I376-L396 HydrophobicContact CG2-CG 4.34Å; A378-L396 HydrophobicContact CB-CD2 3.69Å; L396-R404 PolarHBondContact O-N 3.16Å; L396-G405 WeakPolarHBondContact CB-O 3.48Å; L396-G405 PolarHBondContact N-O 3.33Å; L396-F407 HydrophobicContact CD2-CE1 3.92Å; L396-F407 HydrophobicContact CG-CD1 4.45Å; L396-F407 HydrophobicContact CG-CE1 4.26Å; L396-F471 HydrophobicContact CD1-CZ 4.39Å; L396-F471 HydrophobicContact CD2-CZ 4.37Å; L396-L475 HydrophobicContact CD1-CD2 4.25Å; L396-M478 HydrophobicContact CD1-CB 4.12Å; L396-M478 HydrophobicContact CD1-CE 3.71Å; L396-M478 HydrophobicContact CD1-SD 3.67Å; L396-M478 HydrophobicContact CG-SD 4.27Å; L396-L479 HydrophobicContact CD1-CD2 4.29Å
397Y98.7Very high97.9Very high44 Ų4446.4 Ų46.417%0.17323%0.234CC..EExtended strand (participates in β ladder)trans-114.4139.3-178.9-67.7-90.7000111.1I376 T377 K379 E395 N401 E402 L403I376-Y397 CarbonylContact C-O 3.51Å; I376-Y397 WeakPolarHBondContact CA-O 3.46Å; T377-Y397 PolarHBondContact N-O 3Å; T377-Y397 PolarHBondContact O-N 3.2Å; K379-Y397 HydrophobicContact CB-CD2 4.38Å; K379-Y397 HydrophobicContact CB-CE2 4.17Å; K379-Y397 HydrophobicContact CD-CD2 3.75Å; K379-Y397 HydrophobicContact CD-CE2 3.75Å; K379-Y397 HydrophobicContact CG-CD2 4.05Å; K379-Y397 HydrophobicContact CG-CE2 4.21Å; E395-Y397 HydrophobicContact CB-CD2 4.28Å; E395-Y397 HydrophobicContact CB-CE2 3.5Å; E395-Y397 PolarHBondContact OE2-OH 3.45Å; Y397-N401 WeakPolarHBondContact CD1-O 3.31Å; Y397-E402 VanDerWaalsContact CA-O 3.32Å; Y397-E402 WeakPolarHBondContact CA-O 3.24Å; Y397-L403 HydrophobicContact CD1-CB 4.46Å; Y397-L403 HydrophobicContact CE1-CB 4.12Å; Y397-L403 HydrophobicContact CE1-CD1 4.36Å; Y397-L403 HydrophobicContact CE2-CD1 4.4Å
398D97.6Very high97.9Very high19 Ų1945.8 Ų45.810%0.10223%0.232CC..  trans-82.4-176.717170.118.2000113.1I376 N400 N401 E402 R404I376-D398 HydrophobicContact CD1-CB 3.84Å; D398-N400 PolarHBondContact O-N 2.78Å; D398-N400 WeakPolarHBondContact OD1-CA 3.36Å; D398-N400 WeakPolarHBondContact OD1-CB 3.45Å; D398-N400 PolarHBondContact OD1-N 2.88Å; D398-N401 WeakPolarHBondContact O-CA 3.42Å; D398-N401 PolarHBondContact O-N 2.77Å; D398-N401 PolarHBondContact OD1-N 2.8Å; D398-E402 PolarHBondContact N-O 3.1Å; D398-E402 PolarHBondContact OD1-N 3.28Å; D398-R404 HydrophobicContact CB-CG 3.97Å; D398-R404 WeakPolarHBondContact OD2-CD 3.37Å
399E95.9Very high98Very high131 Ų13143.6 Ų43.661%0.61222%0.222SC*.THydrogen-bonded Turntrans-64-20-178.8-60.7179.1114.800113.2G375 N401 R626G375-E399 WeakPolarHBondContact O-CG 3.45Å; E399-N401 VanDerWaalsContact C-N 3.29Å; E399-R626 IonicContact OE1-NE 3.07Å; E399-R626 IonicContact OE1-NH2 2.79Å; E399-R626 IonicContact OE2-CZ 3.37Å; E399-R626 IonicContact OE2-NH2 3.98Å; E399-R626 PolarHBondContact OE2-NH2 2.83Å
400N96.5Very high98.1Very high125 Ų12538.1 Ų38.167%0.66819%0.186SC*.THydrogen-bonded Turntrans-905.4174.5-60.8-44.7000112.4D398 E402D398-N400 PolarHBondContact O-N 2.78Å; D398-N400 WeakPolarHBondContact OD1-CA 3.36Å; D398-N400 WeakPolarHBondContact OD1-CB 3.45Å; D398-N400 PolarHBondContact OD1-N 2.88Å; N400-E402 HydrophobicContact CB-CG 4.19Å; N400-E402 PolarHBondContact O-N 2.74Å
401N97.3Very high98.2Very high117 Ų11735 Ų3563%0.62617%0.17SC*.  trans60.426.4-170-61.8-74.9000113.7Y397 D398 E399Y397-N401 WeakPolarHBondContact CD1-O 3.31Å; D398-N401 WeakPolarHBondContact O-CA 3.42Å; D398-N401 PolarHBondContact O-N 2.77Å; D398-N401 PolarHBondContact OD1-N 2.8Å; E399-N401 VanDerWaalsContact C-N 3.29Å
402E97.7Very high98.1Very high105 Ų10535.5 Ų35.549%0.49117%0.17SC..  trans-83.4134.6171.7-62-172.6171.900110.6Y397 D398 N400 R404Y397-E402 VanDerWaalsContact CA-O 3.32Å; Y397-E402 WeakPolarHBondContact CA-O 3.24Å; D398-E402 PolarHBondContact N-O 3.1Å; D398-E402 PolarHBondContact OD1-N 3.28Å; N400-E402 HydrophobicContact CB-CG 4.19Å; N400-E402 PolarHBondContact O-N 2.74Å; E402-R404 PolarHBondContact O-N 3.45Å
403L98.2Very high98Very high44 Ų4433.5 Ų33.523%0.2317%0.166CC..EExtended strand (participates in β ladder)trans-65.7121172.3-179.766000109.7E395 Y397 K439E395-L403 HydrophobicContact CB-CD1 3.75Å; E395-L403 HydrophobicContact CG-CD1 4.15Å; Y397-L403 HydrophobicContact CD1-CB 4.46Å; Y397-L403 HydrophobicContact CE1-CB 4.12Å; Y397-L403 HydrophobicContact CE1-CD1 4.36Å; Y397-L403 HydrophobicContact CE2-CD1 4.4Å; L403-K439 HydrophobicContact CD2-CG 4.41Å; L403-K439 WeakPolarHBondContact O-CE 3.29Å; L403-K439 PolarHBondContact O-NZ 3.5Å
404R98.2Very high97.8Very high26 Ų2635 Ų3510%0.09817%0.172CC..EExtended strand (participates in β ladder)trans-92.4-46.3177.9-60.8-53.6-54.7175.17111.7I376 L396 D398 E402 P440 M478 L479 T480 R481I376-R404 HydrophobicContact CD1-CG 4.06Å; L396-R404 PolarHBondContact O-N 3.16Å; D398-R404 HydrophobicContact CB-CG 3.97Å; D398-R404 WeakPolarHBondContact OD2-CD 3.37Å; E402-R404 PolarHBondContact O-N 3.45Å; R404-P440 VanDerWaalsContact O-CD 3.27Å; R404-P440 WeakPolarHBondContact O-CD 3.28Å; R404-M478 CarbonylContact C-O 3.38Å; R404-M478 VanDerWaalsContact O-O 3.1Å; R404-L479 HydrophobicContact CB-CD2 3.86Å; R404-L479 HydrophobicContact CG-CD2 4.37Å; R404-T480 PolarHBondContact NH2-O 2.84Å; R404-R481 VanDerWaalsContact NH2-CG 3.26Å
405G98.6Very high97.5Very high0 Ų039.3 Ų39.30%019%0.192CC..EExtended strand (participates in β ladder)trans-175.3179.1178.600000110.9L396 P440L396-G405 WeakPolarHBondContact CB-O 3.48Å; L396-G405 PolarHBondContact N-O 3.33Å; G405-P440 VanDerWaalsContact CA-O 3.27Å; G405-P440 WeakPolarHBondContact CA-O 3.47Å
406S98.8Very high97.3Very high7 Ų741 Ų415%0.04920%0.202CC..EExtended strand (participates in β ladder)trans-141.2164.5-177.5-49.30000111.6F394 P440 V441 A442 M478F394-S406 CarbonylContact O-C 3.53Å; F394-S406 WeakPolarHBondContact O-CA 3.44Å; F394-S406 VanDerWaalsContact O-CB 3.26Å; F394-S406 WeakPolarHBondContact O-CB 3.46Å; S406-P440 PolarHBondContact N-O 2.95Å; S406-V441 CarbonylContact O-C 3.55Å; S406-V441 WeakPolarHBondContact O-CA 3.31Å; S406-A442 PolarHBondContact O-N 3.14Å; S406-M478 VanDerWaalsContact C-SD 3.58Å
407F98.8Very high97.3Very high1 Ų141.1 Ų41.10%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-153.1151.7176.464.5-77.8000114.3F367 F393 F394 L396 L409 A442 L444 F471 M478F367-F407 AromaticContact CE1-CZ 3.79Å; F367-F407 HydrophobicContact CE1-CZ 3.79Å; F367-F407 AromaticContact CZ-CZ 3.8Å; F367-F407 HydrophobicContact CZ-CZ 3.8Å; F393-F407 WeakPolarHBondContact CA-O 3.22Å; F393-F407 WeakPolarHBondContact CD2-O 3.34Å; F394-F407 HydrophobicContact CB-CD1 4Å; F394-F407 HydrophobicContact CB-CE1 3.38Å; F394-F407 HydrophobicContact CB-CE2 4.14Å; F394-F407 HydrophobicContact CB-CZ 3.44Å; F394-F407 VanDerWaalsContact CB-CZ 3.44Å; F394-F407 HydrophobicContact CD2-CD2 4.25Å; F394-F407 HydrophobicContact CD2-CE1 4.32Å; F394-F407 AromaticContact CD2-CE2 3.5Å; F394-F407 HydrophobicContact CD2-CE2 3.5Å; F394-F407 AromaticContact CD2-CZ 3.53Å; F394-F407 HydrophobicContact CD2-CZ 3.53Å; F394-F407 HydrophobicContact CE2-CE2 4.17Å; F394-F407 HydrophobicContact CE2-CZ 4.36Å; F394-F407 HydrophobicContact CG-CE1 4.1Å; F394-F407 HydrophobicContact CG-CE2 4.1Å; F394-F407 AromaticContact CG-CZ 3.62Å; F394-F407 HydrophobicContact CG-CZ 3.62Å; F394-F407 PolarHBondContact N-O 2.89Å; F394-F407 PolarHBondContact O-N 2.98Å; L396-F407 HydrophobicContact CD2-CE1 3.92Å; L396-F407 HydrophobicContact CG-CD1 4.45Å; L396-F407 HydrophobicContact CG-CE1 4.26Å; F407-L409 HydrophobicContact CD2-CB 4.21Å; F407-L409 HydrophobicContact CE2-CB 4.02Å; F407-L409 HydrophobicContact CE2-CD1 4.34Å; F407-A442 CarbonylContact C-O 3.59Å; F407-A442 WeakPolarHBondContact CA-O 3.32Å; F407-A442 HydrophobicContact CB-CB 4.04Å; F407-A442 WeakPolarHBondContact CB-O 3.37Å; F407-L444 HydrophobicContact CB-CD1 3.71Å; F407-L444 HydrophobicContact CD2-CD1 3.97Å; F407-L444 HydrophobicContact CD2-CD2 4.22Å; F407-L444 HydrophobicContact CD2-CG 4.49Å; F407-L444 HydrophobicContact CG-CD1 4.04Å; F407-F471 HydrophobicContact CD1-CE2 4.36Å; F407-F471 AromaticContact CE1-CE2 3.72Å; F407-F471 HydrophobicContact CE1-CE2 3.72Å; F407-F471 HydrophobicContact CE1-CZ 4.19Å; F407-F471 HydrophobicContact CE2-CE2 4.01Å; F407-F471 HydrophobicContact CZ-CD2 4.49Å; F407-F471 AromaticContact CZ-CE2 3.54Å; F407-F471 HydrophobicContact CZ-CE2 3.54Å; F407-F471 HydrophobicContact CZ-CZ 4.31Å; F407-M478 HydrophobicContact CB-CE 4.2Å; F407-M478 HydrophobicContact CB-SD 3.71Å; F407-M478 HydrophobicContact CD1-CE 3.78Å; F407-M478 HydrophobicContact CD1-SD 3.52Å; F407-M478 VanDerWaalsContact CD1-SD 3.52Å; F407-M478 HydrophobicContact CE1-CE 4.47Å; F407-M478 HydrophobicContact CG-CE 4.13Å; F407-M478 HydrophobicContact CG-SD 3.98Å
408Y98.9Very high97.1Very high1 Ų142.5 Ų42.50%0.00421%0.208CC..EExtended strand (participates in β ladder)trans-89.3136.6163.9-63.3-93.4000109.6F14 V384 V386 W387 V391 R392 F393 V441 A442 Y443 L444F14-Y408 HydrophobicContact CD2-CE1 4.4Å; F14-Y408 AromaticContact CE2-CE1 3.95Å; F14-Y408 HydrophobicContact CE2-CE1 3.95Å; F14-Y408 HydrophobicContact CE2-CE2 4.27Å; F14-Y408 AromaticContact CE2-CZ 3.78Å; V384-Y408 HydrophobicContact CG1-CE1 3.67Å; V386-Y408 HydrophobicContact CG1-CD1 4.11Å; V386-Y408 HydrophobicContact CG1-CE1 4.06Å; W387-Y408 AromaticContact CH2-CD1 3.96Å; W387-Y408 HydrophobicContact CH2-CD1 3.96Å; W387-Y408 AromaticContact CH2-CG 3.83Å; W387-Y408 HydrophobicContact CH2-CG 3.83Å; W387-Y408 AromaticContact CZ3-CD1 3.66Å; W387-Y408 HydrophobicContact CZ3-CD1 3.66Å; W387-Y408 HydrophobicContact CZ3-CD2 4.48Å; W387-Y408 HydrophobicContact CZ3-CE1 4.18Å; W387-Y408 AromaticContact CZ3-CG 3.84Å; W387-Y408 HydrophobicContact CZ3-CG 3.84Å; V391-Y408 HydrophobicContact CG1-CD1 4Å; R392-Y408 CarbonylContact O-C 3.57Å; R392-Y408 WeakPolarHBondContact O-CA 3.35Å; F393-Y408 AromaticContact CD2-CD1 3.73Å; F393-Y408 HydrophobicContact CD2-CD1 3.73Å; F393-Y408 AromaticContact CD2-CD2 3.89Å; F393-Y408 HydrophobicContact CD2-CD2 3.89Å; F393-Y408 AromaticContact CD2-CE1 3.65Å; F393-Y408 HydrophobicContact CD2-CE1 3.65Å; F393-Y408 AromaticContact CD2-CE2 3.8Å; F393-Y408 HydrophobicContact CD2-CE2 3.8Å; F393-Y408 AromaticContact CD2-CG 3.84Å; F393-Y408 HydrophobicContact CD2-CG 3.84Å; F393-Y408 AromaticContact CD2-CZ 3.67Å; F393-Y408 AromaticContact CE2-CD2 3.96Å; F393-Y408 HydrophobicContact CE2-CD2 3.96Å; F393-Y408 HydrophobicContact CE2-CE1 4.22Å; F393-Y408 AromaticContact CE2-CE2 3.62Å; F393-Y408 HydrophobicContact CE2-CE2 3.62Å; F393-Y408 HydrophobicContact CE2-CG 4.39Å; F393-Y408 AromaticContact CE2-CZ 3.75Å; Y408-V441 HydrophobicContact CD2-CG1 4.1Å; Y408-V441 HydrophobicContact CE2-CG1 3.89Å; Y408-A442 PolarHBondContact N-O 3.38Å; Y408-Y443 AromaticContact CD2-CD1 3.64Å; Y408-Y443 HydrophobicContact CD2-CD1 3.64Å; Y408-Y443 AromaticContact CD2-CE1 3.68Å; Y408-Y443 HydrophobicContact CD2-CE1 3.68Å; Y408-Y443 HydrophobicContact CE2-CD1 4.44Å; Y408-Y443 HydrophobicContact CE2-CE1 4.03Å; Y408-Y443 HydrophobicContact CG-CD1 4.07Å; Y408-Y443 HydrophobicContact CG-CE1 4.35Å; Y408-L444 PolarHBondContact O-N 3.5Å
409L98.8Very high96.8Very high5 Ų543.9 Ų43.93%0.02623%0.226CC..EExtended strand (participates in β ladder)trans-117.2113.3178.4-172.864.6000109.7V363 V391 R392 F394 F407 L411 L444 L467V363-L409 HydrophobicContact CG1-CD2 4.42Å; V363-L409 HydrophobicContact CG2-CD2 4.4Å; V391-L409 WeakPolarHBondContact CA-O 3.28Å; R392-L409 PolarHBondContact N-O 3.41Å; R392-L409 PolarHBondContact O-N 2.72Å; F394-L409 HydrophobicContact CD2-CB 4.29Å; F394-L409 HydrophobicContact CE2-CB 3.9Å; F394-L409 HydrophobicContact CE2-CD2 3.73Å; F394-L409 HydrophobicContact CE2-CG 4.48Å; F394-L409 HydrophobicContact CZ-CD2 4.28Å; F407-L409 HydrophobicContact CD2-CB 4.21Å; F407-L409 HydrophobicContact CE2-CB 4.02Å; F407-L409 HydrophobicContact CE2-CD1 4.34Å; L409-L411 HydrophobicContact CD1-CD2 3.75Å; L409-L411 HydrophobicContact CD1-CG 4.23Å; L409-L411 HydrophobicContact CD2-CD1 4.06Å; L409-L411 HydrophobicContact CD2-CD2 4.37Å; L409-L411 HydrophobicContact CD2-CG 4.26Å; L409-L411 HydrophobicContact CG-CD1 4.25Å; L409-L411 HydrophobicContact CG-CD2 3.98Å; L409-L411 HydrophobicContact CG-CG 3.9Å; L409-L444 HydrophobicContact CD1-CB 3.99Å; L409-L467 HydrophobicContact CD1-CD1 4.24Å
410D98.6Very high96.7Very high0 Ų039.7 Ų39.70%022%0.218CC..EExtended strand (participates in β ladder)trans-123.688.8-177.9-174.4-10.5000111W387 V391 R414 K417 L444 T445 C446W387-D410 HydrophobicContact CZ2-CB 3.88Å; W387-D410 PolarHBondContact NE1-OD2 3.44Å; V391-D410 HydrophobicContact CG2-CB 3.97Å; D410-R414 IonicContact OD1-CZ 3.54Å; D410-R414 IonicContact OD1-NH1 3.44Å; D410-R414 PolarHBondContact OD1-NH1 3.49Å; D410-R414 IonicContact OD1-NH2 3.94Å; D410-R414 IonicContact OD2-CZ 3.26Å; D410-R414 IonicContact OD2-NH1 3.78Å; D410-R414 PolarHBondContact OD2-NH1 3.31Å; D410-R414 IonicContact OD2-NH2 3.9Å; D410-R414 PolarHBondContact OD2-NH2 3.41Å; D410-K417 VanDerWaalsContact CG-NZ 3.28Å; D410-K417 PolarHBondContact O-NZ 2.84Å; D410-K417 VanDerWaalsContact O-NZ 3.08Å; D410-K417 IonicContact OD1-NZ 3.58Å; D410-K417 PolarHBondContact OD1-NZ 3.18Å; D410-K417 IonicContact OD2-NZ 2.8Å; D410-L444 PolarHBondContact N-O 3.45Å; D410-T445 HydrophobicContact CB-CG2 4.3Å; D410-T445 WeakPolarHBondContact O-CA 3.33Å; D410-C446 PolarHBondContact O-N 3.07Å
411L98.2Very high96.7Very high5 Ų535.3 Ų35.33%0.02620%0.199CC..EExtended strand (participates in β ladder)trans-83.4-31.3-164.4-67170.9000115.1E359 V363 L409 C446 N447 F448 F459 L467E359-L411 HydrophobicContact CG-CD1 3.82Å; V363-L411 HydrophobicContact CG2-CD1 4.48Å; L409-L411 HydrophobicContact CD1-CD2 3.75Å; L409-L411 HydrophobicContact CD1-CG 4.23Å; L409-L411 HydrophobicContact CD2-CD1 4.06Å; L409-L411 HydrophobicContact CD2-CD2 4.37Å; L409-L411 HydrophobicContact CD2-CG 4.26Å; L409-L411 HydrophobicContact CG-CD1 4.25Å; L409-L411 HydrophobicContact CG-CD2 3.98Å; L409-L411 HydrophobicContact CG-CG 3.9Å; L411-C446 CarbonylContact C-O 3.4Å; L411-C446 HydrophobicContact CD2-CB 4.42Å; L411-C446 CarbonylContact O-C 3.32Å; L411-N447 PolarHBondContact O-N 2.94Å; L411-F448 HydrophobicContact CB-CD2 4.33Å; L411-F448 HydrophobicContact CD2-CD2 4.05Å; L411-F448 HydrophobicContact CD2-CE2 3.93Å; L411-F448 WeakPolarHBondContact O-CB 3.05Å; L411-F448 PolarHBondContact O-N 3.49Å; L411-F459 HydrophobicContact CD1-CZ 4.21Å; L411-L467 HydrophobicContact CD2-CD1 3.87Å
412Y96.6Very high96.7Very high20 Ų2031 Ų318%0.07817%0.174CC..EExtended strand (participates in β ladder)trans-101.8146.8-160.2-46.3-48.7000114.1E359 D390 R414 K417 F448 N449 R450 P451 A457E359-Y412 WeakPolarHBondContact OE2-CE1 3.32Å; E359-Y412 VanDerWaalsContact OE2-CZ 3.25Å; E359-Y412 PolarHBondContact OE2-OH 3.07Å; D390-Y412 HydrophobicContact CB-CD2 3.68Å; D390-Y412 HydrophobicContact CB-CE2 3.75Å; D390-Y412 WeakPolarHBondContact OD2-CD2 3.22Å; Y412-R414 PolarHBondContact O-NH1 3.38Å; Y412-K417 WeakPolarHBondContact O-CD 3.41Å; Y412-K417 PolarHBondContact O-NZ 2.85Å; Y412-F448 WeakPolarHBondContact CA-O 3.4Å; Y412-N449 WeakPolarHBondContact CD1-O 3.27Å; Y412-R450 HydrophobicContact CD1-CB 4.32Å; Y412-R450 HydrophobicContact CD2-CB 4.2Å; Y412-R450 HydrophobicContact CG-CB 3.94Å; Y412-P451 HydrophobicContact CE2-CG 4.38Å; Y412-P451 VanDerWaalsContact CZ-CD 3.49Å; Y412-A457 HydrophobicContact CE1-CB 3.8Å
413A95.7Very high96.8Very high17 Ų1727.1 Ų27.114%0.1416%0.156CC..  trans-69.7145.1168.600000111.8P217 N447 F448P217-A413 HydrophobicContact CG-CB 3.76Å; A413-N447 WeakPolarHBondContact CA-OD1 3.47Å; A413-N447 HydrophobicContact CB-CB 3.98Å; A413-F448 PolarHBondContact N-O 2.58Å
414R94.2Very high96.7Very high36 Ų3627.3 Ų27.314%0.13616%0.157CC..  trans-163163.9176.257.9-177-179.2-89.2-1.5110.3V76 D410 Y412 K417V76-R414 PolarHBondContact O-NH2 2.94Å; D410-R414 IonicContact OD1-CZ 3.54Å; D410-R414 IonicContact OD1-NH1 3.44Å; D410-R414 PolarHBondContact OD1-NH1 3.49Å; D410-R414 IonicContact OD1-NH2 3.94Å; D410-R414 IonicContact OD2-CZ 3.26Å; D410-R414 IonicContact OD2-NH1 3.78Å; D410-R414 PolarHBondContact OD2-NH1 3.31Å; D410-R414 IonicContact OD2-NH2 3.9Å; D410-R414 PolarHBondContact OD2-NH2 3.41Å; Y412-R414 PolarHBondContact O-NH1 3.38Å; R414-K417 HydrophobicContact CG-CB 3.85Å; R414-K417 HydrophobicContact CG-CD 4.13Å; R414-K417 WeakPolarHBondContact O-CB 3.05Å; R414-K417 PolarHBondContact O-N 3.36Å
415E92.1Very high96.6Very high95 Ų9528.6 Ų28.644%0.44417%0.166SC..THydrogen-bonded Turntrans-56.3149.7172.7-67-167.7159.800111.4K205 K417K205-E415 WeakPolarHBondContact CE-OE1 3.41Å; K205-E415 IonicContact NZ-OE1 3.46Å; K205-E415 PolarHBondContact NZ-OE1 2.99Å; E415-K417 PolarHBondContact O-N 3.01Å; E415-K417 VanDerWaalsContact O-N 3.11Å
416N95.5Very high96.6Very high63 Ų6328.8 Ų28.834%0.33717%0.167SC..THydrogen-bonded Turntrans6211.8179.6-55.2-54.2000115.5K77 N78K77-N416 PolarHBondContact N-O 3.26Å; N78-N416 HydrophobicContact CB-CB 4.3Å; N78-N416 WeakPolarHBondContact CB-O 3.48Å; N78-N416 PolarHBondContact N-O 2.94Å; N78-N416 WeakPolarHBondContact O-CB 3.33Å
417K97.3Very high96.6Very high2 Ų228.8 Ų28.81%0.00917%0.167CC..SBendtrans-106132.9168.2177.5174.9180-178.90109.1V76 D410 Y412 R414 E415 C446 N447V76-K417 HydrophobicContact CB-CG 4.47Å; D410-K417 VanDerWaalsContact CG-NZ 3.28Å; D410-K417 PolarHBondContact O-NZ 2.84Å; D410-K417 VanDerWaalsContact O-NZ 3.08Å; D410-K417 IonicContact OD1-NZ 3.58Å; D410-K417 PolarHBondContact OD1-NZ 3.18Å; D410-K417 IonicContact OD2-NZ 2.8Å; Y412-K417 WeakPolarHBondContact O-CD 3.41Å; Y412-K417 PolarHBondContact O-NZ 2.85Å; R414-K417 HydrophobicContact CG-CB 3.85Å; R414-K417 HydrophobicContact CG-CD 4.13Å; R414-K417 WeakPolarHBondContact O-CB 3.05Å; R414-K417 PolarHBondContact O-N 3.36Å; E415-K417 PolarHBondContact O-N 3.01Å; E415-K417 VanDerWaalsContact O-N 3.11Å; K417-C446 VanDerWaalsContact CE-O 3.22Å; K417-C446 WeakPolarHBondContact CE-O 3.43Å; K417-C446 PolarHBondContact NZ-O 3.21Å; K417-N447 WeakPolarHBondContact CD-OD1 3.29Å; K417-N447 WeakPolarHBondContact CE-OD1 3.42Å
418R94.5Very high96.5Very high74 Ų7429.5 Ų29.528%0.27918%0.175SC..  trans-62137.3174.7-172.7-178.168.3-175.3-1.1109.9S75 W422 N447S75-R418 WeakPolarHBondContact O-CB 3.45Å; S75-R418 PolarHBondContact O-N 3.35Å; R418-W422 HydrophobicContact CB-CH2 4.2Å; R418-W422 WeakPolarHBondContact O-CZ3 3.33Å; R418-N447 PolarHBondContact O-ND2 3.25Å
419G93.2Very high96.5Very high47 Ų4729.5 Ų29.549%0.48518%0.175SC..SBendtrans-67.9168.6173.800000113.5
420G93.6Very high96.5Very high43 Ų4329.4 Ų29.444%0.44317%0.174SC..SBendtrans99.7-168.3-177.600000113.1N447G420-N447 PolarHBondContact N-ND2 3.02Å; G420-N447 PolarHBondContact O-ND2 2.82Å
421A96.8Very high96.4Very high33 Ų3333.5 Ų33.527%0.27319%0.19SC..  trans-132.7148.4167.300000107.5T445 C446 T466 E470A421-T445 CarbonylContact C-O 3.57Å; A421-T445 VanDerWaalsContact CA-O 3.24Å; A421-T445 WeakPolarHBondContact CA-O 3.4Å; A421-C446 HydrophobicContact CB-CB 4.48Å; A421-T466 HydrophobicContact CB-CG2 3.51Å; A421-E470 HydrophobicContact CB-CG 3.89Å; A421-E470 WeakPolarHBondContact CB-OE1 3.46Å
422W97.3Very high96.4Very high28 Ų2836 Ų3611%0.10620%0.2CC..EExtended strand (participates in β ladder)trans-161.7152.6177.166.596.4000111.6V76 R418 T445 E470V76-W422 HydrophobicContact CG1-CH2 4.3Å; V76-W422 HydrophobicContact CG1-CZ2 3.81Å; R418-W422 HydrophobicContact CB-CH2 4.2Å; R418-W422 WeakPolarHBondContact O-CZ3 3.33Å; W422-T445 HydrophobicContact CD2-CG2 4.29Å; W422-T445 HydrophobicContact CE3-CG2 4.29Å; W422-T445 HydrophobicContact CH2-CG2 3.45Å; W422-T445 VanDerWaalsContact CH2-CG2 3.45Å; W422-T445 HydrophobicContact CZ2-CG2 3.45Å; W422-T445 VanDerWaalsContact CZ2-CG2 3.45Å; W422-T445 HydrophobicContact CZ3-CG2 3.89Å; W422-T445 PolarHBondContact N-O 2.79Å; W422-T445 PolarHBondContact O-N 3.23Å; W422-E470 WeakPolarHBondContact CA-OE2 3.22Å; W422-E470 PolarHBondContact N-OE1 3.07Å
423M97.8Very high96.4Very high23 Ų2338.7 Ų38.711%0.11323%0.227CC..EExtended strand (participates in β ladder)trans-102.3139.6160.3-165.3-76.1-83.800109.3A442 Y443 L444 E470 H473 H477 I490M423-A442 HydrophobicContact CG-CB 4.32Å; M423-A442 HydrophobicContact SD-CB 3.82Å; M423-Y443 CarbonylContact C-O 3.48Å; M423-Y443 VanDerWaalsContact CA-O 3.25Å; M423-Y443 WeakPolarHBondContact CA-O 3.4Å; M423-L444 HydrophobicContact CG-CD1 3.95Å; M423-L444 HydrophobicContact CG-CG 4.15Å; M423-E470 PolarHBondContact N-OE2 3.1Å; M423-H473 HydrophobicContact CB-CB 3.54Å; M423-H473 VanDerWaalsContact CE-C 3.4Å; M423-H473 HydrophobicContact CE-CB 3.99Å; M423-H473 WeakPolarHBondContact CE-O 3.48Å; M423-H473 HydrophobicContact CG-CB 4Å; M423-H477 HydrophobicContact CE-CB 3.55Å; M423-I490 HydrophobicContact CE-CD1 3.9Å; M423-I490 HydrophobicContact CE-CG1 4.39Å; M423-I490 HydrophobicContact CE-CG2 3.81Å
424D96.9Very high96.5Very high47 Ų4744 Ų4425%0.25125%0.253SS..EExtended strand (participates in β ladder)trans-139.3153.8173.6-166.722.7000111A442 Y443D424-A442 CarbonylContact O-C 3.29Å; D424-A442 WeakPolarHBondContact O-CA 3.19Å; D424-Y443 HydrophobicContact CB-CD2 4.2Å; D424-Y443 PolarHBondContact N-O 3.49Å; D424-Y443 PolarHBondContact O-N 3.33Å
425D96.3Very high96.6Very high54 Ų5444.2 Ų44.229%0.28927%0.266SS..EExtended strand (participates in β ladder)trans-83.6127.2-179.470-68.9000112.4S68 I490S68-D425 PolarHBondContact OG-O 2.92Å; D425-I490 HydrophobicContact CB-CD1 4.46Å
426C98.4Very high96.8Very high3 Ų342.1 Ų42.12%0.0226%0.262CS..EExtended strand (participates in β ladder)trans-88.1-44.7171.1177.20000110.6S68 V441 Y443S68-C426 WeakPolarHBondContact OG-CA 3.35Å; C426-V441 WeakPolarHBondContact CA-O 3.46Å; C426-V441 HydrophobicContact CB-CB 3.84Å; C426-V441 HydrophobicContact CB-CG1 3.76Å; C426-V441 VanDerWaalsContact CB-O 3.3Å; C426-V441 WeakPolarHBondContact CB-O 3.42Å; C426-V441 PolarHBondContact N-O 3.39Å; C426-Y443 HydrophobicContact CB-CD1 4.16Å; C426-Y443 HydrophobicContact CB-CD2 4.14Å; C426-Y443 HydrophobicContact CB-CE1 3.64Å; C426-Y443 HydrophobicContact CB-CE2 3.66Å; C426-Y443 HydrophobicContact CB-CG 4.39Å; C426-Y443 VanDerWaalsContact SG-CZ 3.51Å; C426-Y443 PolarHBondContact SG-OH 3.47Å
427V98.4Very high96.9Very high7 Ų741.4 Ų41.44%0.04226%0.258CS..EExtended strand (participates in β ladder)trans-145131.9179.9-178.90000108.2Q438 K439 P440 V441 H477V427-Q438 VanDerWaalsContact CG1-CD 3.48Å; V427-Q438 HydrophobicContact CG1-CG 3.61Å; V427-Q438 VanDerWaalsContact CG1-NE2 3.25Å; V427-K439 WeakPolarHBondContact CG1-O 2.99Å; V427-P440 CarbonylContact O-C 3.46Å; V427-P440 WeakPolarHBondContact O-CA 3.45Å; V427-V441 HydrophobicContact CB-CB 3.95Å; V427-V441 HydrophobicContact CB-CG2 4Å; V427-V441 HydrophobicContact CG2-CB 4.07Å; V427-V441 HydrophobicContact CG2-CG2 4.06Å; V427-V441 PolarHBondContact N-O 3.38Å; V427-V441 PolarHBondContact O-N 3.47Å; V427-H477 PolarHBondContact O-CE1 2.9Å; V427-H477 PolarHBondContact O-NE2 2.84Å
428G97.7Very high97Very high16 Ų1642 Ų4217%0.16526%0.261CS..  trans-85.1150.7171.100000112.8Q438G428-Q438 PolarHBondContact O-NE2 3.2Å
429Q98.2Very high97.1Very high2 Ų241.1 Ų41.11%0.00926%0.259CS..  trans-71.9133.9170.4178.7167.1-95.500110.7L437 Q438 P440 T480 I482 S488Q429-L437 HydrophobicContact CG-CD1 3.87Å; Q429-Q438 WeakPolarHBondContact CA-O 3.32Å; Q429-Q438 WeakPolarHBondContact CG-O 3.49Å; Q429-P440 HydrophobicContact CB-CB 4.24Å; Q429-P440 HydrophobicContact CB-CG 4.22Å; Q429-T480 HydrophobicContact CB-CG2 3.79Å; Q429-T480 HydrophobicContact CG-CG2 4.42Å; Q429-T480 PolarHBondContact NE2-O 3.16Å; Q429-I482 WeakPolarHBondContact CG-O 3.41Å; Q429-I482 PolarHBondContact NE2-O 3.44Å; Q429-S488 WeakPolarHBondContact CB-OG 3.43Å; Q429-S488 WeakPolarHBondContact O-CB 3.19Å; Q429-S488 PolarHBondContact O-OG 2.98Å
430M98.1Very high97.4Very high3 Ų338.9 Ų38.92%0.01524%0.236CC..EExtended strand (participates in β ladder)trans-155.6135.4-179.8-177.8174.264.700111.2A57 E58 D61 K432 Q438 E483 A485A57-M430 HydrophobicContact CB-SD 3.95Å; E58-M430 HydrophobicContact CG-CE 3.96Å; E58-M430 HydrophobicContact CG-SD 4.41Å; D61-M430 HydrophobicContact CB-CE 3.63Å; D61-M430 HydrophobicContact CB-SD 4.45Å; M430-K432 HydrophobicContact CE-CG 4.11Å; M430-Q438 PolarHBondContact N-O 3.33Å; M430-Q438 WeakPolarHBondContact O-CB 3.47Å; M430-Q438 PolarHBondContact O-N 3.05Å; M430-E483 WeakPolarHBondContact CA-O 3.46Å; M430-A485 HydrophobicContact CB-CB 4.27Å; M430-A485 HydrophobicContact CG-CB 4.15Å; M430-A485 HydrophobicContact SD-CB 3.9Å
431R98.2Very high97.6Very high85 Ų8537.3 Ų37.332%0.32122%0.217SC..EExtended strand (participates in β ladder)trans-80121163.4-175.767.359.3179.7-2.1108.8Q54 G435 E483Q54-R431 PolarHBondContact NE2-O 3.26Å; R431-G435 VanDerWaalsContact CD-O 3.29Å; R431-G435 WeakPolarHBondContact CD-O 3.37Å; R431-G435 PolarHBondContact NH1-O 3.24Å; R431-E483 HydrophobicContact CB-CB 3.84Å; R431-E483 IonicContact CZ-OE1 3.19Å; R431-E483 IonicContact CZ-OE2 3.83Å; R431-E483 PolarHBondContact N-O 2.8Å; R431-E483 IonicContact NE-OE1 3.62Å; R431-E483 IonicContact NE-OE2 3.83Å; R431-E483 PolarHBondContact NE-OE2 3.47Å; R431-E483 VanDerWaalsContact NH2-CD 3.25Å; R431-E483 IonicContact NH2-OE1 2.78Å; R431-E483 PolarHBondContact NH2-OE1 2.79Å; R431-E483 IonicContact NH2-OE2 3.66Å; R431-E483 PolarHBondContact NH2-OE2 2.95Å; R431-E483 VanDerWaalsContact NH2-OE2 3.13Å
432K97.7Very high97.7Very high58 Ų5835.7 Ų35.725%0.25220%0.204SC..  trans-82.1161.4174.9-63.3-170.4-178.3-167.70110.9E58 D61 M430 D434 G435 S436 Q438E58-K432 WeakPolarHBondContact OE1-CA 3.42Å; D61-K432 IonicContact OD2-NZ 3.39Å; M430-K432 HydrophobicContact CE-CG 4.11Å; K432-D434 WeakPolarHBondContact CB-OD1 3.35Å; K432-D434 PolarHBondContact O-N 2.81Å; K432-G435 WeakPolarHBondContact O-CA 3.43Å; K432-G435 PolarHBondContact O-N 2.66Å; K432-S436 PolarHBondContact N-O 3.14Å; K432-Q438 VanDerWaalsContact NZ-OE1 3.1Å
433A96.9Very high97.8Very high76 Ų7634.4 Ų34.463%0.62820%0.199SC*.THydrogen-bonded Turntrans-62.2-26.5-179.800000112.7Q54 E58 G435Q54-A433 HydrophobicContact CG-CB 4.04Å; E58-A433 VanDerWaalsContact OE1-CB 3.27Å; E58-A433 WeakPolarHBondContact OE1-CB 3.42Å; E58-A433 PolarHBondContact OE1-N 3.29Å; A433-G435 PolarHBondContact O-N 2.88Å
434D96.5Very high97.9Very high129 Ų12933.3 Ų33.369%0.6919%0.194SC*.THydrogen-bonded Turntrans-76.3-1.9173.471.6-2.8000113.6K432 S436K432-D434 WeakPolarHBondContact CB-OD1 3.35Å; K432-D434 PolarHBondContact O-N 2.81Å; D434-S436 VanDerWaalsContact C-N 3.34Å; D434-S436 WeakPolarHBondContact OD1-CB 3.41Å; D434-S436 PolarHBondContact OD1-N 3.45Å; D434-S436 PolarHBondContact OD1-OG 3.18Å; D434-S436 PolarHBondContact OD2-OG 3.02Å
435G97Very high97.9Very high41 Ų4131.1 Ų31.142%0.42318%0.182SC..SBendtrans86.7-4.3-178.500000114.4R431 K432 A433R431-G435 VanDerWaalsContact CD-O 3.29Å; R431-G435 WeakPolarHBondContact CD-O 3.37Å; R431-G435 PolarHBondContact NH1-O 3.24Å; K432-G435 WeakPolarHBondContact O-CA 3.43Å; K432-G435 PolarHBondContact O-N 2.66Å; A433-G435 PolarHBondContact O-N 2.88Å
436S97.2Very high98Very high50 Ų5028.6 Ų28.635%0.3517%0.169SC..  trans-70.3145.7175.168.30000111.5K432 D434K432-S436 PolarHBondContact N-O 3.14Å; D434-S436 VanDerWaalsContact C-N 3.34Å; D434-S436 WeakPolarHBondContact OD1-CB 3.41Å; D434-S436 PolarHBondContact OD1-N 3.45Å; D434-S436 PolarHBondContact OD1-OG 3.18Å; D434-S436 PolarHBondContact OD2-OG 3.02Å
437L97.8Very high98Very high48 Ų4829.2 Ų29.225%0.25117%0.172SC..EExtended strand (participates in β ladder)trans-103.4113.7176.4-17661.3000109.2Q429 K439 E483Q429-L437 HydrophobicContact CG-CD1 3.87Å; L437-K439 HydrophobicContact CD2-CD 4.39Å; L437-E483 HydrophobicContact CD1-CB 4.32Å; L437-E483 HydrophobicContact CD1-CG 4.01Å
438Q98Very high97.8Very high16 Ų1629.3 Ų29.38%0.07517%0.172CC..EExtended strand (participates in β ladder)trans-73.4130.7167.6-179.5167.5-79.500109.6D61 V427 G428 Q429 M430 K432D61-Q438 PolarHBondContact OD1-NE2 3.27Å; D61-Q438 PolarHBondContact OD2-NE2 2.91Å; D61-Q438 PolarHBondContact OD2-OE1 3.07Å; V427-Q438 VanDerWaalsContact CG1-CD 3.48Å; V427-Q438 HydrophobicContact CG1-CG 3.61Å; V427-Q438 VanDerWaalsContact CG1-NE2 3.25Å; G428-Q438 PolarHBondContact O-NE2 3.2Å; Q429-Q438 WeakPolarHBondContact CA-O 3.32Å; Q429-Q438 WeakPolarHBondContact CG-O 3.49Å; M430-Q438 PolarHBondContact N-O 3.33Å; M430-Q438 WeakPolarHBondContact O-CB 3.47Å; M430-Q438 PolarHBondContact O-N 3.05Å; K432-Q438 VanDerWaalsContact NZ-OE1 3.1Å
439K98.1Very high97.4Very high55 Ų5529.6 Ų29.624%0.23917%0.17CC..PPolyproline II helixtrans-92145.9179.6-65.1-67.9-179.5165.40111.3L403 V427 L437L403-K439 HydrophobicContact CD2-CG 4.41Å; L403-K439 WeakPolarHBondContact O-CE 3.29Å; L403-K439 PolarHBondContact O-NZ 3.5Å; V427-K439 WeakPolarHBondContact CG1-O 2.99Å; L437-K439 HydrophobicContact CD2-CD 4.39Å
440P98.5Very high97.1Very high0 Ų034.8 Ų34.80%019%0.189CC..PPolyproline II helixtrans-73.5143.6-178.530.8-32.1000111.4R404 G405 S406 V427 Q429 M478R404-P440 VanDerWaalsContact O-CD 3.27Å; R404-P440 WeakPolarHBondContact O-CD 3.28Å; G405-P440 VanDerWaalsContact CA-O 3.27Å; G405-P440 WeakPolarHBondContact CA-O 3.47Å; S406-P440 PolarHBondContact N-O 2.95Å; V427-P440 CarbonylContact O-C 3.46Å; V427-P440 WeakPolarHBondContact O-CA 3.45Å; Q429-P440 HydrophobicContact CB-CB 4.24Å; Q429-P440 HydrophobicContact CB-CG 4.22Å; P440-M478 WeakPolarHBondContact CG-O 3.38Å
441V98.8Very high96.8Very high9 Ų937.3 Ų37.36%0.05521%0.206CC..EExtended strand (participates in β ladder)trans-128.5134.7173.3-173.40000108.9L11 F393 S406 Y408 C426 V427 H477L11-V441 HydrophobicContact CD2-CG1 4.22Å; L11-V441 HydrophobicContact CD2-CG2 3.91Å; F393-V441 HydrophobicContact CE2-CG1 4.07Å; S406-V441 CarbonylContact O-C 3.55Å; S406-V441 WeakPolarHBondContact O-CA 3.31Å; Y408-V441 HydrophobicContact CD2-CG1 4.1Å; Y408-V441 HydrophobicContact CE2-CG1 3.89Å; C426-V441 WeakPolarHBondContact CA-O 3.46Å; C426-V441 HydrophobicContact CB-CB 3.84Å; C426-V441 HydrophobicContact CB-CG1 3.76Å; C426-V441 VanDerWaalsContact CB-O 3.3Å; C426-V441 WeakPolarHBondContact CB-O 3.42Å; C426-V441 PolarHBondContact N-O 3.39Å; V427-V441 HydrophobicContact CB-CB 3.95Å; V427-V441 HydrophobicContact CB-CG2 4Å; V427-V441 HydrophobicContact CG2-CB 4.07Å; V427-V441 HydrophobicContact CG2-CG2 4.06Å; V427-V441 PolarHBondContact N-O 3.38Å; V427-V441 PolarHBondContact O-N 3.47Å; V441-H477 PolarHBondContact O-NE2 3.43Å
442A98.9Very high96.3Very high0 Ų034.3 Ų34.30%020%0.197CC..EExtended strand (participates in β ladder)trans-114.1155.5177.200000112.6S406 F407 Y408 M423 D424 L444 M478S406-A442 PolarHBondContact O-N 3.14Å; F407-A442 CarbonylContact C-O 3.59Å; F407-A442 WeakPolarHBondContact CA-O 3.32Å; F407-A442 HydrophobicContact CB-CB 4.04Å; F407-A442 WeakPolarHBondContact CB-O 3.37Å; Y408-A442 PolarHBondContact N-O 3.38Å; M423-A442 HydrophobicContact CG-CB 4.32Å; M423-A442 HydrophobicContact SD-CB 3.82Å; D424-A442 CarbonylContact O-C 3.29Å; D424-A442 WeakPolarHBondContact O-CA 3.19Å; A442-L444 HydrophobicContact CB-CD1 3.68Å; A442-M478 HydrophobicContact CB-CG 4.25Å; A442-M478 HydrophobicContact CB-SD 4.43Å
443Y98.8Very high95.6Very high0 Ų037.8 Ų37.80%022%0.219CC..EExtended strand (participates in β ladder)trans-101.5124.9158.3-51.5-61.5000108.4F14 S68 H72 W387 Y408 M423 D424 C426F14-Y443 HydrophobicContact CE2-CE1 4.35Å; F14-Y443 AromaticContact CZ-CE1 3.72Å; F14-Y443 HydrophobicContact CZ-CE1 3.72Å; S68-Y443 VanDerWaalsContact OG-CE2 3.32Å; S68-Y443 WeakPolarHBondContact OG-CE2 3.36Å; S68-Y443 PolarHBondContact OG-OH 3Å; H72-Y443 HydrophobicContact CB-CD2 4.15Å; H72-Y443 HydrophobicContact CB-CE2 3.71Å; H72-Y443 AromaticContact CE1-CD1 3.96Å; H72-Y443 AromaticContact CE1-CG 3.64Å; H72-Y443 AromaticContact CG-CD2 3.79Å; H72-Y443 AromaticContact CG-CE2 3.75Å; H72-Y443 AromaticContact CG-CG 3.96Å; H72-Y443 AromaticContact CG-CZ 3.93Å; H72-Y443 AromaticContact ND1-CD1 4Å; H72-Y443 AromaticContact ND1-CD2 3.43Å; H72-Y443 WeakPolarHBondContact ND1-CD2 3.34Å; H72-Y443 AromaticContact ND1-CE2 3.89Å; H72-Y443 AromaticContact ND1-CG 3.47Å; W387-Y443 AromaticContact CH2-CD1 3.9Å; W387-Y443 HydrophobicContact CH2-CD1 3.9Å; W387-Y443 HydrophobicContact CH2-CE1 4.33Å; W387-Y443 HydrophobicContact CZ3-CD1 4.15Å; W387-Y443 HydrophobicContact CZ3-CE1 4.11Å; Y408-Y443 AromaticContact CD2-CD1 3.64Å; Y408-Y443 HydrophobicContact CD2-CD1 3.64Å; Y408-Y443 AromaticContact CD2-CE1 3.68Å; Y408-Y443 HydrophobicContact CD2-CE1 3.68Å; Y408-Y443 HydrophobicContact CE2-CD1 4.44Å; Y408-Y443 HydrophobicContact CE2-CE1 4.03Å; Y408-Y443 HydrophobicContact CG-CD1 4.07Å; Y408-Y443 HydrophobicContact CG-CE1 4.35Å; M423-Y443 CarbonylContact C-O 3.48Å; M423-Y443 VanDerWaalsContact CA-O 3.25Å; M423-Y443 WeakPolarHBondContact CA-O 3.4Å; D424-Y443 HydrophobicContact CB-CD2 4.2Å; D424-Y443 PolarHBondContact N-O 3.49Å; D424-Y443 PolarHBondContact O-N 3.33Å; C426-Y443 HydrophobicContact CB-CD1 4.16Å; C426-Y443 HydrophobicContact CB-CD2 4.14Å; C426-Y443 HydrophobicContact CB-CE1 3.64Å; C426-Y443 HydrophobicContact CB-CE2 3.66Å; C426-Y443 HydrophobicContact CB-CG 4.39Å; C426-Y443 VanDerWaalsContact SG-CZ 3.51Å; C426-Y443 PolarHBondContact SG-OH 3.47Å
444L98.7Very high95Very high1 Ų138.3 Ų38.31%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-111.5111.4170.6-81.975.6000108F407 Y408 L409 D410 M423 A442 F471 M478F407-L444 HydrophobicContact CB-CD1 3.71Å; F407-L444 HydrophobicContact CD2-CD1 3.97Å; F407-L444 HydrophobicContact CD2-CD2 4.22Å; F407-L444 HydrophobicContact CD2-CG 4.49Å; F407-L444 HydrophobicContact CG-CD1 4.04Å; Y408-L444 PolarHBondContact O-N 3.5Å; L409-L444 HydrophobicContact CD1-CB 3.99Å; D410-L444 PolarHBondContact N-O 3.45Å; M423-L444 HydrophobicContact CG-CD1 3.95Å; M423-L444 HydrophobicContact CG-CG 4.15Å; A442-L444 HydrophobicContact CB-CD1 3.68Å; L444-F471 HydrophobicContact CD2-CB 4.14Å; L444-F471 HydrophobicContact CD2-CD2 3.4Å; L444-F471 VanDerWaalsContact CD2-CD2 3.4Å; L444-F471 HydrophobicContact CD2-CE2 4.19Å; L444-F471 HydrophobicContact CD2-CG 4.19Å; L444-M478 HydrophobicContact CD1-CE 4.45Å
445T98.7Very high94.6Very high0 Ų035.8 Ų35.80%021%0.214CC..EExtended strand (participates in β ladder)trans-121.9125.3-171.5-50.80000110.7V76 D410 A421 W422V76-T445 HydrophobicContact CG1-CG2 4.19Å; D410-T445 HydrophobicContact CB-CG2 4.3Å; D410-T445 WeakPolarHBondContact O-CA 3.33Å; A421-T445 CarbonylContact C-O 3.57Å; A421-T445 VanDerWaalsContact CA-O 3.24Å; A421-T445 WeakPolarHBondContact CA-O 3.4Å; W422-T445 HydrophobicContact CD2-CG2 4.29Å; W422-T445 HydrophobicContact CE3-CG2 4.29Å; W422-T445 HydrophobicContact CH2-CG2 3.45Å; W422-T445 VanDerWaalsContact CH2-CG2 3.45Å; W422-T445 HydrophobicContact CZ2-CG2 3.45Å; W422-T445 VanDerWaalsContact CZ2-CG2 3.45Å; W422-T445 HydrophobicContact CZ3-CG2 3.89Å; W422-T445 PolarHBondContact N-O 2.79Å; W422-T445 PolarHBondContact O-N 3.23Å
446C98.3Very high94.4Very high1 Ų136.5 Ų36.51%0.00721%0.211CC..EExtended strand (participates in β ladder)trans-123.1175.8173.3-53.90000110.2D410 L411 K417 A421 F448D410-C446 PolarHBondContact O-N 3.07Å; L411-C446 CarbonylContact C-O 3.4Å; L411-C446 HydrophobicContact CD2-CB 4.42Å; L411-C446 CarbonylContact O-C 3.32Å; K417-C446 VanDerWaalsContact CE-O 3.22Å; K417-C446 WeakPolarHBondContact CE-O 3.43Å; K417-C446 PolarHBondContact NZ-O 3.21Å; A421-C446 HydrophobicContact CB-CB 4.48Å; C446-F448 HydrophobicContact CB-CD1 3.92Å; C446-F448 HydrophobicContact CB-CD2 3.91Å; C446-F448 HydrophobicContact CB-CE1 3.63Å; C446-F448 HydrophobicContact CB-CE2 3.61Å; C446-F448 HydrophobicContact CB-CG 4.04Å; C446-F448 HydrophobicContact CB-CZ 3.45Å; C446-F448 VanDerWaalsContact CB-CZ 3.45Å; C446-F448 VanDerWaalsContact SG-CZ 3.51Å
447N96.9Very high94.2Very high16 Ų1634.2 Ų34.29%0.08620%0.195CC..EExtended strand (participates in β ladder)trans-131.853.1175.6-81.3-73.9000110.8P217 L411 A413 K417 R418 G420P217-N447 WeakPolarHBondContact CD-O 3.33Å; P217-N447 WeakPolarHBondContact CG-O 3.49Å; L411-N447 PolarHBondContact O-N 2.94Å; A413-N447 WeakPolarHBondContact CA-OD1 3.47Å; A413-N447 HydrophobicContact CB-CB 3.98Å; K417-N447 WeakPolarHBondContact CD-OD1 3.29Å; K417-N447 WeakPolarHBondContact CE-OD1 3.42Å; R418-N447 PolarHBondContact O-ND2 3.25Å; G420-N447 PolarHBondContact N-ND2 3.02Å; G420-N447 PolarHBondContact O-ND2 2.82Å
448F95.6Very high94.1Very high9 Ų933.3 Ų33.34%0.03919%0.19CC..EExtended strand (participates in β ladder)trans-79.1171.6179.2-54.9-25.3000112.4L411 Y412 A413 C446 F459 E463 T466 L467L411-F448 HydrophobicContact CB-CD2 4.33Å; L411-F448 HydrophobicContact CD2-CD2 4.05Å; L411-F448 HydrophobicContact CD2-CE2 3.93Å; L411-F448 WeakPolarHBondContact O-CB 3.05Å; L411-F448 PolarHBondContact O-N 3.49Å; Y412-F448 WeakPolarHBondContact CA-O 3.4Å; A413-F448 PolarHBondContact N-O 2.58Å; C446-F448 HydrophobicContact CB-CD1 3.92Å; C446-F448 HydrophobicContact CB-CD2 3.91Å; C446-F448 HydrophobicContact CB-CE1 3.63Å; C446-F448 HydrophobicContact CB-CE2 3.61Å; C446-F448 HydrophobicContact CB-CG 4.04Å; C446-F448 HydrophobicContact CB-CZ 3.45Å; C446-F448 VanDerWaalsContact CB-CZ 3.45Å; C446-F448 VanDerWaalsContact SG-CZ 3.51Å; F448-F459 HydrophobicContact CB-CD1 4.28Å; F448-F459 HydrophobicContact CB-CE1 3.96Å; F448-F459 HydrophobicContact CD2-CD1 4.26Å; F448-F459 AromaticContact CD2-CE1 3.85Å; F448-F459 HydrophobicContact CD2-CE1 3.85Å; F448-F459 HydrophobicContact CD2-CE2 4.25Å; F448-F459 AromaticContact CD2-CZ 3.85Å; F448-F459 HydrophobicContact CD2-CZ 3.85Å; F448-F459 HydrophobicContact CG-CE1 4.31Å; F448-E463 WeakPolarHBondContact CA-OE1 3.41Å; F448-E463 HydrophobicContact CB-CG 4.45Å; F448-E463 WeakPolarHBondContact CB-OE1 3.26Å; F448-E463 HydrophobicContact CD1-CB 3.86Å; F448-E463 HydrophobicContact CD1-CG 3.56Å; F448-E463 HydrophobicContact CD2-CB 4.49Å; F448-E463 HydrophobicContact CE1-CB 3.91Å; F448-E463 HydrophobicContact CE1-CG 3.98Å; F448-E463 HydrophobicContact CG-CB 4.17Å; F448-E463 HydrophobicContact CG-CG 4.07Å; F448-E463 HydrophobicContact CZ-CB 4.28Å; F448-E463 WeakPolarHBondContact CZ-O 3.26Å; F448-T466 HydrophobicContact CE1-CG2 3.78Å; F448-T466 HydrophobicContact CZ-CG2 3.9Å; F448-L467 HydrophobicContact CE2-CB 4.05Å; F448-L467 HydrophobicContact CZ-CB 4.21Å
449N88.9Confident94Very high23 Ų2332.5 Ų32.512%0.12319%0.187CC..PPolyproline II helixtrans-62.3134.5170.6-69.3-77.2000111.8P217 Y412 A457 E463P217-N449 WeakPolarHBondContact CB-OD1 3.15Å; Y412-N449 WeakPolarHBondContact CD1-O 3.27Å; N449-A457 WeakPolarHBondContact O-CB 3.42Å; N449-E463 PolarHBondContact N-OE1 2.95Å; N449-E463 VanDerWaalsContact N-OE1 3.14Å; N449-E463 PolarHBondContact ND2-OE1 3.1Å
450R91.5Very high93.8Very high110 Ų11030.8 Ų30.842%0.41518%0.181SC..PPolyproline II helixtrans-83.3161.3175.164.5-179169.9176.8-2.5112.2Y412 V452Y412-R450 HydrophobicContact CD1-CB 4.32Å; Y412-R450 HydrophobicContact CD2-CB 4.2Å; Y412-R450 HydrophobicContact CG-CB 3.94Å; R450-V452 HydrophobicContact CG-CG2 4.28Å
451P92Very high93.6Very high56 Ų5631 Ų3136%0.36418%0.182SC..PPolyproline II helixtrans-57136.5167-23.334.6000111.4Y412 K455 A457Y412-P451 HydrophobicContact CE2-CG 4.38Å; Y412-P451 VanDerWaalsContact CZ-CD 3.49Å; P451-K455 WeakPolarHBondContact CA-O 3.42Å; P451-K455 WeakPolarHBondContact CB-O 3.49Å; P451-A457 HydrophobicContact CG-CB 4.1Å
452V86.7Confident93.4Very high23 Ų2334.9 Ų34.914%0.13920%0.202CC..BIsolated β-bridgetrans-136.4142.3178.8-178.80000109.6A196 A197 A200 R450 G454 K455A196-V452 HydrophobicContact CB-CG1 3.89Å; A197-V452 HydrophobicContact CB-CG2 4.42Å; A200-V452 HydrophobicContact CB-CG1 4.19Å; R450-V452 HydrophobicContact CG-CG2 4.28Å; V452-G454 PolarHBondContact O-N 3.1Å; V452-G454 VanDerWaalsContact O-N 3.16Å; V452-K455 PolarHBondContact N-O 3.12Å; V452-K455 WeakPolarHBondContact O-CB 3.3Å; V452-K455 PolarHBondContact O-N 3.2Å
453N84.3Confident93.4Very high131 Ų13135.8 Ų35.870%0.70121%0.206SC*.THydrogen-bonded Turntrans54.333.3178.2-61.8-22.2000114.4K455N453-K455 PolarHBondContact O-N 2.99Å
454G83.8Confident93.3Very high86 Ų8635.8 Ų35.889%0.88721%0.206SC*.THydrogen-bonded Turntrans72.7-0.2-177.500000114.9V452V452-G454 PolarHBondContact O-N 3.1Å; V452-G454 VanDerWaalsContact O-N 3.16Å
455K88Confident93.3Very high76 Ų7636.6 Ų36.633%0.3321%0.211SC..BIsolated β-bridgetrans-77.9140.7169.4-63.7-178178179.40109.1E192 P451 V452 N453E192-K455 IonicContact OE1-NZ 3.52Å; E192-K455 PolarHBondContact OE1-NZ 3.43Å; P451-K455 WeakPolarHBondContact CA-O 3.42Å; P451-K455 WeakPolarHBondContact CB-O 3.49Å; V452-K455 PolarHBondContact N-O 3.12Å; V452-K455 WeakPolarHBondContact O-CB 3.3Å; V452-K455 PolarHBondContact O-N 3.2Å; N453-K455 PolarHBondContact O-N 2.99Å
456P92.6Very high93.3Very high56 Ų5638.7 Ų38.736%0.36422%0.224SC..PPolyproline II helixtrans-61.6160.7174.128.2-34.7000110.8P358 L458 Y522P358-P456 HydrophobicContact CB-CG 4.45Å; P456-L458 HydrophobicContact CG-CD2 4.05Å; P456-L458 PolarHBondContact O-N 2.84Å; P456-Y522 HydrophobicContact CG-CD2 4.06Å
457A94.4Very high93.3Very high3 Ų338.8 Ų38.83%0.02522%0.224CC..PPolyproline II helixtrans-61.8128167.600000109.2P358 E359 Y412 N449 P451 F459P358-A457 WeakPolarHBondContact CA-O 3.24Å; E359-A457 HydrophobicContact CB-CB 4.31Å; E359-A457 PolarHBondContact N-O 3.45Å; Y412-A457 HydrophobicContact CE1-CB 3.8Å; N449-A457 WeakPolarHBondContact O-CB 3.42Å; P451-A457 HydrophobicContact CG-CB 4.1Å; A457-F459 HydrophobicContact CB-CE1 3.83Å; A457-F459 HydrophobicContact CB-CZ 4.46Å
458L94.7Very high93.4Very high28 Ų2838 Ų3815%0.14722%0.22CC..BIsolated β-bridgetrans-115.8117.3178.2-54.7-179.7000108.6R354 P358 P456 Y522R354-L458 HydrophobicContact CG-CB 3.56Å; R354-L458 PolarHBondContact NH1-O 3.29Å; P358-L458 HydrophobicContact CB-CD2 3.75Å; P456-L458 HydrophobicContact CG-CD2 4.05Å; P456-L458 PolarHBondContact O-N 2.84Å; L458-Y522 HydrophobicContact CD1-CD1 4.24Å; L458-Y522 HydrophobicContact CD1-CE1 4.37Å; L458-Y522 HydrophobicContact CD1-CG 4.47Å; L458-Y522 HydrophobicContact CD2-CD1 4.36Å; L458-Y522 HydrophobicContact CD2-CD2 4.42Å; L458-Y522 HydrophobicContact CD2-CG 3.94Å
459F95.3Very high93.5Very high0 Ų038.6 Ų38.60%022%0.222CC..  trans-87.2146.7-173.1-61.9-23.5000112F357 E359 A362 L411 F448 A457 E463 V464F357-F459 HydrophobicContact CB-CB 4.31Å; F357-F459 PolarHBondContact O-N 2.92Å; E359-F459 HydrophobicContact CB-CE1 4.33Å; E359-F459 HydrophobicContact CB-CE2 3.79Å; E359-F459 HydrophobicContact CB-CZ 3.57Å; E359-F459 HydrophobicContact CG-CE2 3.9Å; E359-F459 HydrophobicContact CG-CZ 3.68Å; A362-F459 HydrophobicContact CB-CD2 3.97Å; A362-F459 HydrophobicContact CB-CE2 4.34Å; L411-F459 HydrophobicContact CD1-CZ 4.21Å; F448-F459 HydrophobicContact CB-CD1 4.28Å; F448-F459 HydrophobicContact CB-CE1 3.96Å; F448-F459 HydrophobicContact CD2-CD1 4.26Å; F448-F459 AromaticContact CD2-CE1 3.85Å; F448-F459 HydrophobicContact CD2-CE1 3.85Å; F448-F459 HydrophobicContact CD2-CE2 4.25Å; F448-F459 AromaticContact CD2-CZ 3.85Å; F448-F459 HydrophobicContact CD2-CZ 3.85Å; F448-F459 HydrophobicContact CG-CE1 4.31Å; A457-F459 HydrophobicContact CB-CE1 3.83Å; A457-F459 HydrophobicContact CB-CZ 4.46Å; F459-E463 VanDerWaalsContact CA-OE2 3.28Å; F459-E463 WeakPolarHBondContact CA-OE2 3.42Å; F459-E463 HydrophobicContact CB-CB 3.82Å; F459-E463 HydrophobicContact CG-CB 4.22Å; F459-V464 HydrophobicContact CB-CG2 3.92Å; F459-V464 HydrophobicContact CD2-CG2 4.37Å
460T94.3Very high94Very high18 Ų1838 Ų3811%0.1122%0.219CC..  trans-66163.3156.961.90000109.6R354 D462 E463 V464R354-T460 VanDerWaalsContact CZ-CG2 3.44Å; T460-D462 VanDerWaalsContact C-N 3.26Å; T460-D462 PolarHBondContact O-N 3.28Å; T460-D462 PolarHBondContact OG1-N 2.95Å; T460-E463 PolarHBondContact N-OE2 2.92Å; T460-E463 PolarHBondContact O-N 3.1Å; T460-E463 WeakPolarHBondContact OG1-CG 3.27Å; T460-E463 PolarHBondContact OG1-N 2.98Å; T460-V464 WeakPolarHBondContact O-CG2 3.5Å; T460-V464 PolarHBondContact O-N 2.84Å; T460-V464 VanDerWaalsContact O-N 3.1Å
461H95.3Very high94.3Very high6 Ų632.9 Ų32.93%0.02820%0.2CC..Hα-helixtrans-59.9-38.6171-172.5-114.9000111.8F357 E463 V464 I465 C509 W510F357-H461 AromaticContact CZ-CD2 3.96Å; H461-E463 PolarHBondContact O-N 2.98Å; H461-V464 CarbonylContact O-C 3.32Å; H461-V464 WeakPolarHBondContact O-CA 3.49Å; H461-V464 WeakPolarHBondContact O-CB 3.37Å; H461-V464 PolarHBondContact O-N 3.08Å; H461-I465 WeakPolarHBondContact O-CG1 3.46Å; H461-I465 PolarHBondContact O-N 3.16Å; H461-C509 PolarHBondContact CE1-O 3.33Å; H461-C509 PolarHBondContact NE2-O 2.98Å; H461-W510 AromaticContact CE1-CD2 3.83Å; H461-W510 AromaticContact CE1-CE2 3.7Å; H461-W510 AromaticContact CE1-CE3 3.72Å; H461-W510 AromaticContact CE1-CH2 3.42Å; H461-W510 VanDerWaalsContact CE1-CH2 3.42Å; H461-W510 WeakPolarHBondContact CE1-CH2 3.2Å; H461-W510 AromaticContact CE1-CZ2 3.52Å; H461-W510 AromaticContact CE1-CZ3 3.52Å; H461-W510 AromaticContact ND1-CH2 3.55Å; H461-W510 AromaticContact ND1-CZ2 3.85Å; H461-W510 AromaticContact ND1-CZ3 3.94Å
462D95Very high94.7Very high89 Ų8930.2 Ų30.248%0.47618%0.182SC..Hα-helixtrans-61-38.2173.3-68.9-10.3000113.6T460 V464 I465 T466T460-D462 VanDerWaalsContact C-N 3.26Å; T460-D462 PolarHBondContact O-N 3.28Å; T460-D462 PolarHBondContact OG1-N 2.95Å; D462-V464 VanDerWaalsContact C-N 3.3Å; D462-I465 PolarHBondContact O-N 3.45Å; D462-T466 WeakPolarHBondContact O-CB 3.44Å; D462-T466 PolarHBondContact O-N 3.41Å; D462-T466 PolarHBondContact O-OG1 3.5Å
463E96.9Very high95.2Very high19 Ų1929.9 Ų29.99%0.08918%0.179CC..Hα-helixtrans-65.6-35.4173.9-74.5173.8132.200110.4R354 F448 N449 F459 T460 H461 T466 L467R354-E463 IonicContact NH1-OE2 2.88Å; R354-E463 PolarHBondContact NH1-OE2 3.23Å; F448-E463 WeakPolarHBondContact CA-OE1 3.41Å; F448-E463 HydrophobicContact CB-CG 4.45Å; F448-E463 WeakPolarHBondContact CB-OE1 3.26Å; F448-E463 HydrophobicContact CD1-CB 3.86Å; F448-E463 HydrophobicContact CD1-CG 3.56Å; F448-E463 HydrophobicContact CD2-CB 4.49Å; F448-E463 HydrophobicContact CE1-CB 3.91Å; F448-E463 HydrophobicContact CE1-CG 3.98Å; F448-E463 HydrophobicContact CG-CB 4.17Å; F448-E463 HydrophobicContact CG-CG 4.07Å; F448-E463 HydrophobicContact CZ-CB 4.28Å; F448-E463 WeakPolarHBondContact CZ-O 3.26Å; N449-E463 PolarHBondContact N-OE1 2.95Å; N449-E463 VanDerWaalsContact N-OE1 3.14Å; N449-E463 PolarHBondContact ND2-OE1 3.1Å; F459-E463 VanDerWaalsContact CA-OE2 3.28Å; F459-E463 WeakPolarHBondContact CA-OE2 3.42Å; F459-E463 HydrophobicContact CB-CB 3.82Å; F459-E463 HydrophobicContact CG-CB 4.22Å; T460-E463 PolarHBondContact N-OE2 2.92Å; T460-E463 PolarHBondContact O-N 3.1Å; T460-E463 WeakPolarHBondContact OG1-CG 3.27Å; T460-E463 PolarHBondContact OG1-N 2.98Å; H461-E463 PolarHBondContact O-N 2.98Å; E463-T466 PolarHBondContact O-N 3Å; E463-L467 PolarHBondContact O-N 3.41Å
464V98.1Very high95.9Very high0 Ų023.6 Ų23.60%015%0.146CC..Hα-helixtrans-67.5-43.9172.9-179.90000111.4F357 A362 F459 T460 H461 D462 T466 L467 F468 I518F357-V464 HydrophobicContact CB-CG2 3.99Å; F357-V464 HydrophobicContact CD1-CG2 3.74Å; F357-V464 HydrophobicContact CE1-CG2 4.44Å; F357-V464 HydrophobicContact CG-CG2 3.99Å; A362-V464 HydrophobicContact CB-CG2 4.1Å; F459-V464 HydrophobicContact CB-CG2 3.92Å; F459-V464 HydrophobicContact CD2-CG2 4.37Å; T460-V464 WeakPolarHBondContact O-CG2 3.5Å; T460-V464 PolarHBondContact O-N 2.84Å; T460-V464 VanDerWaalsContact O-N 3.1Å; H461-V464 CarbonylContact O-C 3.32Å; H461-V464 WeakPolarHBondContact O-CA 3.49Å; H461-V464 WeakPolarHBondContact O-CB 3.37Å; H461-V464 PolarHBondContact O-N 3.08Å; D462-V464 VanDerWaalsContact C-N 3.3Å; V464-T466 VanDerWaalsContact C-N 3.33Å; V464-T466 PolarHBondContact O-N 3.38Å; V464-L467 WeakPolarHBondContact O-CB 3.4Å; V464-L467 PolarHBondContact O-N 2.82Å; V464-F468 HydrophobicContact CG1-CD2 4.1Å; V464-F468 HydrophobicContact CG1-CE2 4Å; V464-F468 VanDerWaalsContact O-CD2 3.3Å; V464-F468 WeakPolarHBondContact O-CD2 3.46Å; V464-F468 PolarHBondContact O-N 3.32Å; V464-I518 HydrophobicContact CG1-CG2 3.95Å
465I98.2Very high96.6Very high19 Ų1919.6 Ų19.610%0.09710%0.104CC..Hα-helixtrans-57.7-48174-68.5166.9000110.2H461 D462 L467 F468 H469 E506 C509 W510H461-I465 WeakPolarHBondContact O-CG1 3.46Å; H461-I465 PolarHBondContact O-N 3.16Å; D462-I465 PolarHBondContact O-N 3.45Å; I465-L467 VanDerWaalsContact C-N 3.3Å; I465-L467 PolarHBondContact O-N 3.02Å; I465-F468 PolarHBondContact O-N 2.91Å; I465-F468 VanDerWaalsContact O-N 3.11Å; I465-H469 WeakPolarHBondContact O-CB 3.28Å; I465-H469 PolarHBondContact O-N 3.18Å; I465-E506 HydrophobicContact CG2-CB 4.07Å; I465-E506 HydrophobicContact CG2-CG 3.77Å; I465-E506 WeakPolarHBondContact CG2-OE2 3.27Å; I465-C509 HydrophobicContact CG1-CB 3.71Å; I465-W510 HydrophobicContact CD1-CZ2 3.6Å
466T98.4Very high97.1Very high44 Ų4416.4 Ų16.427%0.279%0.09SC..Hα-helixtrans-58.9-41.4177.7-55.70000111.5A421 F448 D462 E463 V464 F468 H469 E470A421-T466 HydrophobicContact CB-CG2 3.51Å; F448-T466 HydrophobicContact CE1-CG2 3.78Å; F448-T466 HydrophobicContact CZ-CG2 3.9Å; D462-T466 WeakPolarHBondContact O-CB 3.44Å; D462-T466 PolarHBondContact O-N 3.41Å; D462-T466 PolarHBondContact O-OG1 3.5Å; E463-T466 PolarHBondContact O-N 3Å; V464-T466 VanDerWaalsContact C-N 3.33Å; V464-T466 PolarHBondContact O-N 3.38Å; T466-F468 VanDerWaalsContact C-N 3.35Å; T466-F468 PolarHBondContact O-N 2.86Å; T466-H469 WeakPolarHBondContact O-CB 3.48Å; T466-H469 PolarHBondContact O-N 3.48Å; T466-E470 WeakPolarHBondContact O-CG 3.44Å; T466-E470 PolarHBondContact O-N 3.09Å
467L98.7Very high97.4Very high2 Ų213.7 Ų13.71%0.017%0.073CC..Hα-helixtrans-61.3-43.4176.3176.961.3000111.9A362 V363 L366 L409 L411 F448 E463 V464 I465 F471A362-L467 HydrophobicContact CB-CD2 4.48Å; V363-L467 HydrophobicContact CG2-CD2 3.87Å; L366-L467 HydrophobicContact CD2-CD1 4.39Å; L366-L467 HydrophobicContact CD2-CD2 4.35Å; L366-L467 HydrophobicContact CD2-CG 4.03Å; L409-L467 HydrophobicContact CD1-CD1 4.24Å; L411-L467 HydrophobicContact CD2-CD1 3.87Å; F448-L467 HydrophobicContact CE2-CB 4.05Å; F448-L467 HydrophobicContact CZ-CB 4.21Å; E463-L467 PolarHBondContact O-N 3.41Å; V464-L467 WeakPolarHBondContact O-CB 3.4Å; V464-L467 PolarHBondContact O-N 2.82Å; I465-L467 VanDerWaalsContact C-N 3.3Å; I465-L467 PolarHBondContact O-N 3.02Å; L467-F471 WeakPolarHBondContact O-CB 3.47Å; L467-F471 PolarHBondContact O-N 3.41Å
468F98.8Very high97.6Very high0 Ų013.6 Ų13.60%07%0.072CC..Hα-helixtrans-67.4-38.7177.2-86.2-116.3000111.9L366 V369 V464 I465 T466 F471 G472 M505 W508 C509 I518L366-F468 VanDerWaalsContact CA-CZ 3.4Å; L366-F468 HydrophobicContact CB-CD2 4.27Å; L366-F468 HydrophobicContact CB-CE1 4.34Å; L366-F468 HydrophobicContact CB-CE2 3.62Å; L366-F468 HydrophobicContact CB-CZ 3.66Å; L366-F468 HydrophobicContact CD1-CD1 3.63Å; L366-F468 HydrophobicContact CD1-CD2 3.9Å; L366-F468 HydrophobicContact CD1-CE1 3.66Å; L366-F468 HydrophobicContact CD1-CE2 3.95Å; L366-F468 HydrophobicContact CD1-CG 3.76Å; L366-F468 HydrophobicContact CD1-CZ 3.83Å; L366-F468 HydrophobicContact CG-CE2 4.31Å; L366-F468 HydrophobicContact CG-CZ 4.37Å; V369-F468 HydrophobicContact CB-CE1 4.35Å; V369-F468 HydrophobicContact CG1-CE1 4.49Å; V369-F468 HydrophobicContact CG2-CE1 4.09Å; V369-F468 HydrophobicContact CG2-CZ 4.4Å; V464-F468 HydrophobicContact CG1-CD2 4.1Å; V464-F468 HydrophobicContact CG1-CE2 4Å; V464-F468 VanDerWaalsContact O-CD2 3.3Å; V464-F468 WeakPolarHBondContact O-CD2 3.46Å; V464-F468 PolarHBondContact O-N 3.32Å; I465-F468 PolarHBondContact O-N 2.91Å; I465-F468 VanDerWaalsContact O-N 3.11Å; T466-F468 VanDerWaalsContact C-N 3.35Å; T466-F468 PolarHBondContact O-N 2.86Å; F468-F471 PolarHBondContact O-N 3.41Å; F468-G472 PolarHBondContact O-N 3.35Å; F468-M505 HydrophobicContact CB-CB 4.5Å; F468-M505 HydrophobicContact CD1-CE 3.97Å; F468-M505 WeakPolarHBondContact CD1-O 3.5Å; F468-M505 HydrophobicContact CE1-CE 4.35Å; F468-M505 WeakPolarHBondContact O-CB 3.32Å; F468-W508 HydrophobicContact CE1-CB 4.17Å; F468-C509 WeakPolarHBondContact CG-SG 3.34Å; F468-I518 HydrophobicContact CE1-CD1 4.09Å; F468-I518 HydrophobicContact CE2-CD1 4.32Å; F468-I518 HydrophobicContact CE2-CG2 4.42Å; F468-I518 HydrophobicContact CZ-CD1 3.5Å; F468-I518 HydrophobicContact CZ-CG1 3.97Å
469H98.8Very high97.8Very high21 Ų2112.3 Ų12.310%0.0977%0.065CC..Hα-helixtrans-56.1-57.5174.1-179.4100.1000111.2I465 T466 F471 G472 H473 E499 S502 E506I465-H469 WeakPolarHBondContact O-CB 3.28Å; I465-H469 PolarHBondContact O-N 3.18Å; T466-H469 WeakPolarHBondContact O-CB 3.48Å; T466-H469 PolarHBondContact O-N 3.48Å; H469-F471 PolarHBondContact O-N 2.94Å; H469-G472 PolarHBondContact O-N 3.06Å; H469-H473 AromaticContact CD2-CD2 3.86Å; H469-H473 AromaticContact NE2-CD2 3.69Å; H469-H473 AromaticContact NE2-NE2 3.34Å; H469-H473 PolarHBondContact NE2-NE2 2.79Å; H469-H473 PolarHBondContact O-N 3.48Å; H469-E499 IonicContact CE1-OE2 3.05Å; H469-E499 PolarHBondContact CE1-OE2 3.48Å; H469-E499 IonicContact NE2-OE2 2.93Å; H469-E499 PolarHBondContact NE2-OE2 3.12Å; H469-E499 VanDerWaalsContact NE2-OE2 3.16Å; H469-S502 PolarHBondContact CE1-OG 3.2Å; H469-S502 VanDerWaalsContact CE1-OG 3.25Å; H469-S502 VanDerWaalsContact O-CA 3.31Å; H469-S502 WeakPolarHBondContact O-CA 3.38Å; H469-S502 WeakPolarHBondContact O-CB 3.37Å; H469-E506 HydrophobicContact CB-CG 4Å; H469-E506 IonicContact CE1-OE1 3.78Å; H469-E506 IonicContact CG-OE1 2.81Å; H469-E506 IonicContact ND1-OE1 2.81Å; H469-E506 PolarHBondContact ND1-OE1 2.85Å
470E98.7Very high97.9Very high12 Ų1212.3 Ų12.36%0.0567%0.065CC..Hα-helixtrans-64.2-32-179.6-59.8-50.8156.900112.3A421 W422 M423 T466 G472 H473 G474A421-E470 HydrophobicContact CB-CG 3.89Å; A421-E470 WeakPolarHBondContact CB-OE1 3.46Å; W422-E470 WeakPolarHBondContact CA-OE2 3.22Å; W422-E470 PolarHBondContact N-OE1 3.07Å; M423-E470 PolarHBondContact N-OE2 3.1Å; T466-E470 WeakPolarHBondContact O-CG 3.44Å; T466-E470 PolarHBondContact O-N 3.09Å; E470-G472 VanDerWaalsContact C-N 3.35Å; E470-H473 PolarHBondContact O-N 3.5Å; E470-H473 IonicContact OE2-CD2 2.76Å; E470-G474 PolarHBondContact O-N 2.93Å
471F98.7Very high98.1Very high1 Ų117.7 Ų17.70%0.0048%0.083CC..Hα-helixtrans-68.5-34.2174-156.8-99.9000112.5L366 F367 V370 L396 F407 L444 L467 F468 H469 G474 L475 M478L366-F471 HydrophobicContact CD1-CB 3.97Å; L366-F471 HydrophobicContact CD1-CD1 3.72Å; L366-F471 HydrophobicContact CD1-CE1 4.47Å; L366-F471 HydrophobicContact CD1-CG 3.95Å; L366-F471 HydrophobicContact CD2-CB 3.74Å; L366-F471 HydrophobicContact CD2-CD1 4.05Å; L366-F471 HydrophobicContact CD2-CD2 3.74Å; L366-F471 HydrophobicContact CD2-CE2 4.38Å; L366-F471 HydrophobicContact CD2-CG 3.57Å; L366-F471 HydrophobicContact CG-CB 4.37Å; L366-F471 HydrophobicContact CG-CD1 3.99Å; L366-F471 HydrophobicContact CG-CD2 4.5Å; L366-F471 HydrophobicContact CG-CE1 4.42Å; L366-F471 HydrophobicContact CG-CG 4.04Å; F367-F471 HydrophobicContact CD1-CZ 4.21Å; F367-F471 AromaticContact CE1-CE2 3.91Å; F367-F471 HydrophobicContact CE1-CE2 3.91Å; F367-F471 HydrophobicContact CE1-CZ 4.02Å; V370-F471 HydrophobicContact CG1-CE1 4.39Å; V370-F471 HydrophobicContact CG2-CD1 4.03Å; V370-F471 HydrophobicContact CG2-CE1 3.66Å; L396-F471 HydrophobicContact CD1-CZ 4.39Å; L396-F471 HydrophobicContact CD2-CZ 4.37Å; F407-F471 HydrophobicContact CD1-CE2 4.36Å; F407-F471 AromaticContact CE1-CE2 3.72Å; F407-F471 HydrophobicContact CE1-CE2 3.72Å; F407-F471 HydrophobicContact CE1-CZ 4.19Å; F407-F471 HydrophobicContact CE2-CE2 4.01Å; F407-F471 HydrophobicContact CZ-CD2 4.49Å; F407-F471 AromaticContact CZ-CE2 3.54Å; F407-F471 HydrophobicContact CZ-CE2 3.54Å; F407-F471 HydrophobicContact CZ-CZ 4.31Å; L444-F471 HydrophobicContact CD2-CB 4.14Å; L444-F471 HydrophobicContact CD2-CD2 3.4Å; L444-F471 VanDerWaalsContact CD2-CD2 3.4Å; L444-F471 HydrophobicContact CD2-CE2 4.19Å; L444-F471 HydrophobicContact CD2-CG 4.19Å; L467-F471 WeakPolarHBondContact O-CB 3.47Å; L467-F471 PolarHBondContact O-N 3.41Å; F468-F471 PolarHBondContact O-N 3.41Å; H469-F471 PolarHBondContact O-N 2.94Å; F471-G474 CarbonylContact O-C 3.57Å; F471-G474 WeakPolarHBondContact O-CA 3.31Å; F471-G474 PolarHBondContact O-N 3.31Å; F471-G474 VanDerWaalsContact O-N 3.13Å; F471-L475 HydrophobicContact CD1-CD1 3.78Å; F471-L475 HydrophobicContact CD1-CD2 4.06Å; F471-L475 HydrophobicContact CD1-CG 3.64Å; F471-L475 HydrophobicContact CE1-CD1 3.97Å; F471-L475 HydrophobicContact CE1-CD2 3.48Å; F471-L475 VanDerWaalsContact CE1-CD2 3.48Å; F471-L475 HydrophobicContact CE1-CG 3.63Å; F471-L475 HydrophobicContact CZ-CD2 4.19Å; F471-L475 WeakPolarHBondContact O-CB 3.33Å; F471-L475 VanDerWaalsContact O-CG 3.26Å; F471-L475 WeakPolarHBondContact O-CG 3.38Å; F471-L475 PolarHBondContact O-N 2.9Å; F471-M478 HydrophobicContact CE2-CE 4.32Å; F471-M478 HydrophobicContact CZ-CE 4.47Å
472G98.5Very high98.2Very high0 Ų018.1 Ų18.10%09%0.086CC..Hα-helixtrans-63.3-42.6174.100000112.7F468 H469 E470 G474 L475 H476 P501F468-G472 PolarHBondContact O-N 3.35Å; H469-G472 PolarHBondContact O-N 3.06Å; E470-G472 VanDerWaalsContact C-N 3.35Å; G472-G474 VanDerWaalsContact C-N 3.34Å; G472-G474 PolarHBondContact O-N 3.38Å; G472-L475 PolarHBondContact O-N 3.24Å; G472-H476 PolarHBondContact O-N 2.78Å; G472-H476 VanDerWaalsContact O-N 3.14Å; G472-P501 WeakPolarHBondContact CA-O 3.43Å; G472-P501 WeakPolarHBondContact O-CB 3.43Å
473H98.3Very high98.4Very high16 Ų1617.4 Ų17.47%0.0748%0.079CC..Hα-helixtrans-55.5-51166.6-78-47.3000110.7M423 H469 E470 L475 H476 H477 V498 E499 S502M423-H473 HydrophobicContact CB-CB 3.54Å; M423-H473 VanDerWaalsContact CE-C 3.4Å; M423-H473 HydrophobicContact CE-CB 3.99Å; M423-H473 WeakPolarHBondContact CE-O 3.48Å; M423-H473 HydrophobicContact CG-CB 4Å; H469-H473 AromaticContact CD2-CD2 3.86Å; H469-H473 AromaticContact NE2-CD2 3.69Å; H469-H473 AromaticContact NE2-NE2 3.34Å; H469-H473 PolarHBondContact NE2-NE2 2.79Å; H469-H473 PolarHBondContact O-N 3.48Å; E470-H473 PolarHBondContact O-N 3.5Å; E470-H473 IonicContact OE2-CD2 2.76Å; H473-L475 VanDerWaalsContact C-N 3.3Å; H473-L475 PolarHBondContact O-N 3.05Å; H473-H476 WeakPolarHBondContact O-CB 3.45Å; H473-H476 PolarHBondContact O-N 2.9Å; H473-H476 VanDerWaalsContact O-N 3.09Å; H473-H477 PolarHBondContact O-N 3.43Å; H473-V498 PolarHBondContact CE1-O 3.35Å; H473-V498 VanDerWaalsContact CE1-O 3.25Å; H473-V498 PolarHBondContact ND1-O 3.37Å; H473-E499 IonicContact CE1-OE1 2.78Å; H473-E499 IonicContact CE1-OE2 3.31Å; H473-E499 PolarHBondContact CE1-OE2 3.44Å; H473-E499 IonicContact NE2-OE1 3.62Å; H473-E499 IonicContact NE2-OE2 3.24Å; H473-E499 PolarHBondContact NE2-OE2 3.46Å; H473-S502 VanDerWaalsContact CD2-CB 3.47Å; H473-S502 WeakPolarHBondContact CD2-CB 3.48Å; H473-S502 PolarHBondContact CE1-OG 3.41Å; H473-S502 VanDerWaalsContact CE1-OG 3.24Å; H473-S502 VanDerWaalsContact NE2-CB 3.34Å; H473-S502 WeakPolarHBondContact NE2-CB 3.17Å; H473-S502 PolarHBondContact NE2-OG 3Å
474G98.6Very high98.5Very high0 Ų017 Ų170%08%0.078CC..Hα-helixtrans-55.1-41.7178.600000113.4E470 F471 G472 H477 M478E470-G474 PolarHBondContact O-N 2.93Å; F471-G474 CarbonylContact O-C 3.57Å; F471-G474 WeakPolarHBondContact O-CA 3.31Å; F471-G474 PolarHBondContact O-N 3.31Å; F471-G474 VanDerWaalsContact O-N 3.13Å; G472-G474 VanDerWaalsContact C-N 3.34Å; G472-G474 PolarHBondContact O-N 3.38Å; G474-H477 PolarHBondContact O-N 3.2Å; G474-M478 VanDerWaalsContact O-CB 3.28Å; G474-M478 WeakPolarHBondContact O-CB 3.29Å; G474-M478 WeakPolarHBondContact O-CE 3.5Å; G474-M478 VanDerWaalsContact O-CG 3.25Å; G474-M478 WeakPolarHBondContact O-CG 3.37Å; G474-M478 PolarHBondContact O-N 2.87Å
475L98.7Very high98.4Very high1 Ų118.4 Ų18.41%0.0059%0.09CC..Hα-helixtrans-65.3-39.8177.8-73.9177.1000112V370 Y374 L396 F471 G472 H473 H477 M478 L479 M505 L637V370-L475 HydrophobicContact CG1-CD2 4.23Å; V370-L475 HydrophobicContact CG2-CD1 3.99Å; Y374-L475 HydrophobicContact CD2-CD1 4.45Å; Y374-L475 HydrophobicContact CE2-CD1 3.96Å; L396-L475 HydrophobicContact CD1-CD2 4.25Å; F471-L475 HydrophobicContact CD1-CD1 3.78Å; F471-L475 HydrophobicContact CD1-CD2 4.06Å; F471-L475 HydrophobicContact CD1-CG 3.64Å; F471-L475 HydrophobicContact CE1-CD1 3.97Å; F471-L475 HydrophobicContact CE1-CD2 3.48Å; F471-L475 VanDerWaalsContact CE1-CD2 3.48Å; F471-L475 HydrophobicContact CE1-CG 3.63Å; F471-L475 HydrophobicContact CZ-CD2 4.19Å; F471-L475 WeakPolarHBondContact O-CB 3.33Å; F471-L475 VanDerWaalsContact O-CG 3.26Å; F471-L475 WeakPolarHBondContact O-CG 3.38Å; F471-L475 PolarHBondContact O-N 2.9Å; G472-L475 PolarHBondContact O-N 3.24Å; H473-L475 VanDerWaalsContact C-N 3.3Å; H473-L475 PolarHBondContact O-N 3.05Å; L475-H477 VanDerWaalsContact C-N 3.26Å; L475-H477 PolarHBondContact O-N 3.16Å; L475-M478 PolarHBondContact O-N 2.93Å; L475-L479 HydrophobicContact CB-CD1 4.47Å; L475-L479 HydrophobicContact CD2-CD1 3.73Å; L475-L479 HydrophobicContact CD2-CG 3.99Å; L475-L479 VanDerWaalsContact O-CB 3.26Å; L475-L479 WeakPolarHBondContact O-CB 3.46Å; L475-L479 WeakPolarHBondContact O-CG 3.39Å; L475-L479 PolarHBondContact O-N 3.44Å; L475-M505 HydrophobicContact CD1-CE 4.42Å; L475-M505 HydrophobicContact CD1-CG 4.18Å; L475-M505 HydrophobicContact CD1-SD 3.9Å; L475-L637 HydrophobicContact CB-CD1 4.39Å; L475-L637 HydrophobicContact CB-CD2 4.42Å
476H98.4Very high98.4Very high9 Ų919.8 Ų19.84%0.04211%0.109CC..Hα-helixtrans-60.7-39.3176.1-168.8-169.7000111.4G472 H473 I490 P501 L637G472-H476 PolarHBondContact O-N 2.78Å; G472-H476 VanDerWaalsContact O-N 3.14Å; H473-H476 WeakPolarHBondContact O-CB 3.45Å; H473-H476 PolarHBondContact O-N 2.9Å; H473-H476 VanDerWaalsContact O-N 3.09Å; H476-I490 HydrophobicContact CB-CG2 4.29Å; H476-P501 HydrophobicContact CB-CB 3.98Å; H476-P501 HydrophobicContact CB-CG 3.9Å; H476-L637 HydrophobicContact CB-CD2 4.16Å
477H98.7Very high98.4Very high0 Ų017.7 Ų17.70%010%0.096CC..Hα-helixtrans-71.2-53.9174.4-172.859.7000112.9M423 V427 V441 H473 G474 L475 T480 I490M423-H477 HydrophobicContact CE-CB 3.55Å; V427-H477 PolarHBondContact O-CE1 2.9Å; V427-H477 PolarHBondContact O-NE2 2.84Å; V441-H477 PolarHBondContact O-NE2 3.43Å; H473-H477 PolarHBondContact O-N 3.43Å; G474-H477 PolarHBondContact O-N 3.2Å; L475-H477 VanDerWaalsContact C-N 3.26Å; L475-H477 PolarHBondContact O-N 3.16Å; H477-T480 VanDerWaalsContact O-CG2 3.29Å; H477-T480 WeakPolarHBondContact O-CG2 3.42Å; H477-I490 HydrophobicContact CB-CG2 4.2Å
478M98.6Very high98.3Very high0 Ų017.6 Ų17.60%010%0.096CC..Hα-helixtrans-76.4-27.8-168-69.3-176.8-78.200114.2L396 R404 S406 F407 P440 A442 L444 F471 G474 L475L396-M478 HydrophobicContact CD1-CB 4.12Å; L396-M478 HydrophobicContact CD1-CE 3.71Å; L396-M478 HydrophobicContact CD1-SD 3.67Å; L396-M478 HydrophobicContact CG-SD 4.27Å; R404-M478 CarbonylContact C-O 3.38Å; R404-M478 VanDerWaalsContact O-O 3.1Å; S406-M478 VanDerWaalsContact C-SD 3.58Å; F407-M478 HydrophobicContact CB-CE 4.2Å; F407-M478 HydrophobicContact CB-SD 3.71Å; F407-M478 HydrophobicContact CD1-CE 3.78Å; F407-M478 HydrophobicContact CD1-SD 3.52Å; F407-M478 VanDerWaalsContact CD1-SD 3.52Å; F407-M478 HydrophobicContact CE1-CE 4.47Å; F407-M478 HydrophobicContact CG-CE 4.13Å; F407-M478 HydrophobicContact CG-SD 3.98Å; P440-M478 WeakPolarHBondContact CG-O 3.38Å; A442-M478 HydrophobicContact CB-CG 4.25Å; A442-M478 HydrophobicContact CB-SD 4.43Å; L444-M478 HydrophobicContact CD1-CE 4.45Å; F471-M478 HydrophobicContact CE2-CE 4.32Å; F471-M478 HydrophobicContact CZ-CE 4.47Å; G474-M478 VanDerWaalsContact O-CB 3.28Å; G474-M478 WeakPolarHBondContact O-CB 3.29Å; G474-M478 WeakPolarHBondContact O-CE 3.5Å; G474-M478 VanDerWaalsContact O-CG 3.25Å; G474-M478 WeakPolarHBondContact O-CG 3.37Å; G474-M478 PolarHBondContact O-N 2.87Å; L475-M478 PolarHBondContact O-N 2.93Å
479L98.4Very high98.3Very high2 Ų217.6 Ų17.61%0.0110%0.096CC..THydrogen-bonded Turntrans-95.54.1-177.4-58.5-169.8000113.6Y374 I376 L396 R404 L475 L633 L637Y374-L479 HydrophobicContact CD2-CD1 4.35Å; I376-L479 HydrophobicContact CD1-CD2 4.11Å; I376-L479 HydrophobicContact CG1-CD1 4.03Å; I376-L479 HydrophobicContact CG1-CD2 4.05Å; I376-L479 HydrophobicContact CG2-CD2 4.33Å; L396-L479 HydrophobicContact CD1-CD2 4.29Å; R404-L479 HydrophobicContact CB-CD2 3.86Å; R404-L479 HydrophobicContact CG-CD2 4.37Å; L475-L479 HydrophobicContact CB-CD1 4.47Å; L475-L479 HydrophobicContact CD2-CD1 3.73Å; L475-L479 HydrophobicContact CD2-CG 3.99Å; L475-L479 VanDerWaalsContact O-CB 3.26Å; L475-L479 WeakPolarHBondContact O-CB 3.46Å; L475-L479 WeakPolarHBondContact O-CG 3.39Å; L475-L479 PolarHBondContact O-N 3.44Å; L479-L633 HydrophobicContact CB-CD1 3.93Å; L479-L633 HydrophobicContact CD1-CD1 3.88Å; L479-L637 HydrophobicContact CD1-CD1 4.38Å
480T98.4Very high98.2Very high0 Ų018.5 Ų18.50%010%0.101CC..  trans-54.2142.7178.4-163.60000112.3R404 Q429 H477 I482 S488 G489R404-T480 PolarHBondContact NH2-O 2.84Å; Q429-T480 HydrophobicContact CB-CG2 3.79Å; Q429-T480 HydrophobicContact CG-CG2 4.42Å; Q429-T480 PolarHBondContact NE2-O 3.16Å; H477-T480 VanDerWaalsContact O-CG2 3.29Å; H477-T480 WeakPolarHBondContact O-CG2 3.42Å; T480-I482 PolarHBondContact OG1-N 3.01Å; T480-S488 VanDerWaalsContact CG2-OG 3.3Å; T480-S488 WeakPolarHBondContact CG2-OG 3.33Å; T480-G489 PolarHBondContact OG1-N 3.05Å; T480-G489 VanDerWaalsContact OG1-N 3.1Å
481R97.7Very high98.2Very high130 Ų13019.7 Ų19.749%0.49111%0.111SC..  trans-106.81169.6-75.5-178.1174.5179.90.3111.9R404 D634 S638R404-R481 VanDerWaalsContact NH2-CG 3.26Å; R481-D634 IonicContact NH1-OD1 3.13Å; R481-D634 PolarHBondContact NH1-OD1 2.81Å; R481-S638 PolarHBondContact N-O 3Å
482I98.5Very high98.1Very high15 Ų1521.1 Ų21.18%0.07713%0.125CC..  trans-77.9127.7177.5-55.3-51.3000108.4A125 Q429 T480 V487 S488 R639 S642A125-I482 HydrophobicContact CB-CD1 4.47Å; A125-I482 HydrophobicContact CB-CG2 3.77Å; Q429-I482 WeakPolarHBondContact CG-O 3.41Å; Q429-I482 PolarHBondContact NE2-O 3.44Å; T480-I482 PolarHBondContact OG1-N 3.01Å; I482-V487 HydrophobicContact CG2-CG2 3.9Å; I482-S488 WeakPolarHBondContact O-CB 3.48Å; I482-S488 PolarHBondContact O-OG 2.74Å; I482-R639 WeakPolarHBondContact CG1-O 3.27Å; I482-S642 WeakPolarHBondContact CD1-OG 3.38Å
483E98.2Very high98Very high74 Ų7421.9 Ų21.935%0.34613%0.13SC..  trans-104.33.5-178.3-48.9-172.2162.100112.2M430 R431 L437M430-E483 WeakPolarHBondContact CA-O 3.46Å; R431-E483 HydrophobicContact CB-CB 3.84Å; R431-E483 IonicContact CZ-OE1 3.19Å; R431-E483 IonicContact CZ-OE2 3.83Å; R431-E483 PolarHBondContact N-O 2.8Å; R431-E483 IonicContact NE-OE1 3.62Å; R431-E483 IonicContact NE-OE2 3.83Å; R431-E483 PolarHBondContact NE-OE2 3.47Å; R431-E483 VanDerWaalsContact NH2-CD 3.25Å; R431-E483 IonicContact NH2-OE1 2.78Å; R431-E483 PolarHBondContact NH2-OE1 2.79Å; R431-E483 IonicContact NH2-OE2 3.66Å; R431-E483 PolarHBondContact NH2-OE2 2.95Å; R431-E483 VanDerWaalsContact NH2-OE2 3.13Å; L437-E483 HydrophobicContact CD1-CB 4.32Å; L437-E483 HydrophobicContact CD1-CG 4.01Å
484T98.5Very high98Very high10 Ų1021.6 Ų21.66%0.06113%0.129CC..  trans-96.7108.5176.7-60.40000109.5W49 A129 G486 V487 S488W49-T484 HydrophobicContact CH2-CG2 3.39Å; W49-T484 HydrophobicContact CZ2-CG2 3.87Å; W49-T484 HydrophobicContact CZ3-CG2 4.37Å; A129-T484 HydrophobicContact CB-CG2 3.65Å; T484-G486 PolarHBondContact O-N 2.86Å; T484-V487 HydrophobicContact CG2-CG2 3.9Å; T484-V487 CarbonylContact O-C 3.53Å; T484-V487 PolarHBondContact O-N 2.83Å; T484-V487 VanDerWaalsContact O-N 3.09Å; T484-S488 VanDerWaalsContact O-CB 3.27Å; T484-S488 WeakPolarHBondContact O-CB 3.36Å; T484-S488 PolarHBondContact O-N 2.7Å; T484-S488 VanDerWaalsContact O-N 3.08Å
485A97.4Very high97.8Very high31 Ų3126 Ų2626%0.25615%0.146SC..G310 helixtrans-48.7-49.8-170.100000114.2A57 M430 V487 S488 S491A57-A485 HydrophobicContact CB-CB 4.47Å; M430-A485 HydrophobicContact CB-CB 4.27Å; M430-A485 HydrophobicContact CG-CB 4.15Å; M430-A485 HydrophobicContact SD-CB 3.9Å; A485-V487 PolarHBondContact O-N 3.28Å; A485-S488 PolarHBondContact O-N 3.26Å; A485-S491 WeakPolarHBondContact O-CB 3.33Å
486G97Very high97.6Very high48 Ų4826 Ų2650%0.49515%0.146SC..G310 helixtrans-64.6-8.3-175.600000116.2T484T484-G486 PolarHBondContact O-N 2.86Å
487V98.4Very high97.6Very high0 Ų025.8 Ų25.80%015%0.146CC..G310 helixtrans-136.915.9177.8-68.40000112.6A125 K128 A129 I482 T484 A485 S491 G641A125-V487 HydrophobicContact CB-CG2 3.93Å; A125-V487 WeakPolarHBondContact O-CG2 3.15Å; K128-V487 HydrophobicContact CB-CG1 4.37Å; K128-V487 HydrophobicContact CG-CG1 3.94Å; A129-V487 HydrophobicContact CB-CG1 4.33Å; A129-V487 HydrophobicContact CB-CG2 4.32Å; I482-V487 HydrophobicContact CG2-CG2 3.9Å; T484-V487 HydrophobicContact CG2-CG2 3.9Å; T484-V487 CarbonylContact O-C 3.53Å; T484-V487 PolarHBondContact O-N 2.83Å; T484-V487 VanDerWaalsContact O-N 3.09Å; A485-V487 PolarHBondContact O-N 3.28Å; V487-S491 CarbonylContact C-O 3.15Å; V487-S491 VanDerWaalsContact C-O 3.26Å; V487-S491 VanDerWaalsContact CA-O 3.23Å; V487-S491 WeakPolarHBondContact CA-O 3.38Å; V487-G641 WeakPolarHBondContact CG1-O 3.44Å; V487-G641 PolarHBondContact O-N 2.82Å
488S98.4Very high97.4Very high0 Ų026.3 Ų26.30%015%0.149CC..SBendtrans-94.6142.9-177.4173.20000111.9Q429 T480 I482 T484 A485 I490 S491Q429-S488 WeakPolarHBondContact CB-OG 3.43Å; Q429-S488 WeakPolarHBondContact O-CB 3.19Å; Q429-S488 PolarHBondContact O-OG 2.98Å; T480-S488 VanDerWaalsContact CG2-OG 3.3Å; T480-S488 WeakPolarHBondContact CG2-OG 3.33Å; I482-S488 WeakPolarHBondContact O-CB 3.48Å; I482-S488 PolarHBondContact O-OG 2.74Å; T484-S488 VanDerWaalsContact O-CB 3.27Å; T484-S488 WeakPolarHBondContact O-CB 3.36Å; T484-S488 PolarHBondContact O-N 2.7Å; T484-S488 VanDerWaalsContact O-N 3.08Å; A485-S488 PolarHBondContact O-N 3.26Å; S488-I490 PolarHBondContact O-N 3.48Å; S488-S491 VanDerWaalsContact O-CB 3.24Å; S488-S491 WeakPolarHBondContact O-CB 3.49Å; S488-S491 PolarHBondContact O-N 2.99Å; S488-S491 PolarHBondContact O-OG 3.37Å
489G97.9Very high97.3Very high0 Ų026.4 Ų26.40%015%0.15CC..THydrogen-bonded Turntrans58-129.7-176.800000110.5T480 S491 G640T480-G489 PolarHBondContact OG1-N 3.05Å; T480-G489 VanDerWaalsContact OG1-N 3.1Å; G489-S491 VanDerWaalsContact C-N 3.27Å; G489-S491 PolarHBondContact O-N 2.9Å; G489-G640 WeakPolarHBondContact O-CA 3.32Å
490I96.8Very high97.3Very high40 Ų4026.6 Ų26.621%0.20515%0.151CC..THydrogen-bonded Turntrans-78.4-8.2176.858.4163.1000113.7M423 D425 H476 H477 S488M423-I490 HydrophobicContact CE-CD1 3.9Å; M423-I490 HydrophobicContact CE-CG1 4.39Å; M423-I490 HydrophobicContact CE-CG2 3.81Å; D425-I490 HydrophobicContact CB-CD1 4.46Å; H476-I490 HydrophobicContact CB-CG2 4.29Å; H477-I490 HydrophobicContact CB-CG2 4.2Å; S488-I490 PolarHBondContact O-N 3.48Å
491S97.5Very high97.3Very high37 Ų3726.7 Ų26.726%0.25915%0.151SC..THydrogen-bonded Turntrans-68.1138.5178.4-53.60000111.4A485 V487 S488 G489 V493 G641A485-S491 WeakPolarHBondContact O-CB 3.33Å; V487-S491 CarbonylContact C-O 3.15Å; V487-S491 VanDerWaalsContact C-O 3.26Å; V487-S491 VanDerWaalsContact CA-O 3.23Å; V487-S491 WeakPolarHBondContact CA-O 3.38Å; S488-S491 VanDerWaalsContact O-CB 3.24Å; S488-S491 WeakPolarHBondContact O-CB 3.49Å; S488-S491 PolarHBondContact O-N 2.99Å; S488-S491 PolarHBondContact O-OG 3.37Å; G489-S491 VanDerWaalsContact C-N 3.27Å; G489-S491 PolarHBondContact O-N 2.9Å; S491-V493 PolarHBondContact O-N 2.8Å; S491-V493 VanDerWaalsContact O-N 3.15Å; S491-G641 PolarHBondContact O-N 3.12Å
492G96.9Very high97.3Very high30 Ų3020.5 Ų20.531%0.30913%0.128SC..THydrogen-bonded Turntrans70.62.3176.800000115.4
493V97.7Very high97.3Very high16 Ų1620.7 Ų20.710%0.09713%0.128CC..  trans-72.7129.5176.3177.80000109.5S491 W495 A497S491-V493 PolarHBondContact O-N 2.8Å; S491-V493 VanDerWaalsContact O-N 3.15Å; V493-W495 PolarHBondContact O-N 3.32Å; V493-A497 HydrophobicContact CG1-CB 4.49Å
494P97.3Very high97.3Very high10 Ų1017.1 Ų17.17%0.06511%0.112CC..  trans-54.3127.3170.3-30.539.4000111.7M287 D496 A497 V498 P645M287-P494 HydrophobicContact CG-CB 4.09Å; P494-D496 PolarHBondContact O-N 3.47Å; P494-D496 VanDerWaalsContact O-N 3.12Å; P494-A497 WeakPolarHBondContact O-CB 3.5Å; P494-A497 PolarHBondContact O-N 2.92Å; P494-V498 PolarHBondContact O-N 3.46Å; P494-P645 HydrophobicContact CB-CG 4.02Å; P494-P645 HydrophobicContact CG-CG 3.61Å
495W94.6Very high97.3Very high94 Ų9416.7 Ų16.736%0.35611%0.109SC..THydrogen-bonded Turntrans-64.6-22.7-167.6-159.7-90000114.1K286 V493 A497 V498 Y597K286-W495 HydrophobicContact CG-CB 4.24Å; V493-W495 PolarHBondContact O-N 3.32Å; W495-A497 VanDerWaalsContact C-N 3.29Å; W495-V498 HydrophobicContact CD2-CG1 4.5Å; W495-V498 WeakPolarHBondContact O-CG1 3.31Å; W495-V498 PolarHBondContact O-N 2.94Å; W495-Y597 HydrophobicContact CZ2-CD2 4.41Å; W495-Y597 AromaticContact CZ2-CE2 3.94Å; W495-Y597 HydrophobicContact CZ2-CE2 3.94Å; W495-Y597 AromaticContact NE1-CD1 3.47Å; W495-Y597 AromaticContact NE1-CD2 3.97Å; W495-Y597 AromaticContact NE1-CE1 3.45Å; W495-Y597 AromaticContact NE1-CE2 3.92Å; W495-Y597 AromaticContact NE1-CG 3.74Å; W495-Y597 AromaticContact NE1-CZ 3.68Å
496D95.5Very high97.4Very high0 Ų017.5 Ų17.50%011%0.108CC..THydrogen-bonded Turntrans-81.7-2.8173.755.7-15.9000114.5K286 M287 A288 P494 Y602 W606K286-D496 WeakPolarHBondContact CA-OD1 3.29Å; K286-D496 WeakPolarHBondContact CB-OD1 3.34Å; K286-D496 WeakPolarHBondContact CB-OD2 3.48Å; K286-D496 HydrophobicContact CD-CB 4.46Å; M287-D496 WeakPolarHBondContact CA-OD2 3.49Å; M287-D496 VanDerWaalsContact CB-OD2 3.22Å; M287-D496 WeakPolarHBondContact CB-OD2 3.18Å; M287-D496 WeakPolarHBondContact CG-OD1 3.36Å; M287-D496 PolarHBondContact N-OD1 3.25Å; M287-D496 PolarHBondContact N-OD2 2.9Å; A288-D496 PolarHBondContact N-OD2 3.29Å; P494-D496 PolarHBondContact O-N 3.47Å; P494-D496 VanDerWaalsContact O-N 3.12Å; D496-Y602 HydrophobicContact CB-CE2 3.91Å; D496-Y602 PolarHBondContact OD2-OH 2.91Å; D496-Y602 VanDerWaalsContact OD2-OH 3.14Å; D496-W606 HydrophobicContact CB-CG 4.5Å; D496-W606 VanDerWaalsContact O-CD1 3.3Å
497A96.6Very high97.4Very high5 Ų516 Ų164%0.0419%0.088CC..THydrogen-bonded Turntrans-106.1-6.9166.900000113.1M287 V493 P494 W495 E499 L500 L610 P645M287-A497 HydrophobicContact SD-CB 3.75Å; V493-A497 HydrophobicContact CG1-CB 4.49Å; P494-A497 WeakPolarHBondContact O-CB 3.5Å; P494-A497 PolarHBondContact O-N 2.92Å; W495-A497 VanDerWaalsContact C-N 3.29Å; A497-E499 PolarHBondContact O-N 3.39Å; A497-L500 WeakPolarHBondContact O-CB 3.44Å; A497-L500 PolarHBondContact O-N 2.84Å; A497-L500 VanDerWaalsContact O-N 3.09Å; A497-L610 HydrophobicContact CB-CD1 4.44Å; A497-P645 HydrophobicContact CB-CB 3.56Å; A497-P645 HydrophobicContact CB-CG 3.58Å
498V95.2Very high97.4Very high11 Ų1116 Ų167%0.0679%0.088CC..THydrogen-bonded Turntrans-62.8-32.9-169.778.70000112.5H473 P494 W495 L500 P501H473-V498 PolarHBondContact CE1-O 3.35Å; H473-V498 VanDerWaalsContact CE1-O 3.25Å; H473-V498 PolarHBondContact ND1-O 3.37Å; P494-V498 PolarHBondContact O-N 3.46Å; W495-V498 HydrophobicContact CD2-CG1 4.5Å; W495-V498 WeakPolarHBondContact O-CG1 3.31Å; W495-V498 PolarHBondContact O-N 2.94Å; V498-L500 VanDerWaalsContact C-N 3.31Å; V498-L500 PolarHBondContact O-N 3.04Å; V498-P501 WeakPolarHBondContact O-CD 3.32Å
499E97.3Very high97.4Very high1 Ų116 Ų161%0.0059%0.088CC..THydrogen-bonded Turntrans-81-5.6-179.4-60.2-61.7157.800113.8H469 H473 A497 S502 Q503 Y597 Y604 A607H469-E499 IonicContact CE1-OE2 3.05Å; H469-E499 PolarHBondContact CE1-OE2 3.48Å; H469-E499 IonicContact NE2-OE2 2.93Å; H469-E499 PolarHBondContact NE2-OE2 3.12Å; H469-E499 VanDerWaalsContact NE2-OE2 3.16Å; H473-E499 IonicContact CE1-OE1 2.78Å; H473-E499 IonicContact CE1-OE2 3.31Å; H473-E499 PolarHBondContact CE1-OE2 3.44Å; H473-E499 IonicContact NE2-OE1 3.62Å; H473-E499 IonicContact NE2-OE2 3.24Å; H473-E499 PolarHBondContact NE2-OE2 3.46Å; A497-E499 PolarHBondContact O-N 3.39Å; E499-S502 VanDerWaalsContact CA-OG 3.28Å; E499-S502 WeakPolarHBondContact CA-OG 3.27Å; E499-S502 PolarHBondContact O-N 3.48Å; E499-S502 PolarHBondContact O-OG 2.78Å; E499-S502 PolarHBondContact OE2-OG 2.93Å; E499-Q503 HydrophobicContact CB-CG 4.35Å; E499-Q503 WeakPolarHBondContact O-CB 3.38Å; E499-Q503 WeakPolarHBondContact O-CG 3.44Å; E499-Q503 PolarHBondContact O-N 3.47Å; E499-Q503 PolarHBondContact O-OE1 2.76Å; E499-Y597 PolarHBondContact OE1-OH 2.97Å; E499-Y604 HydrophobicContact CG-CD1 3.88Å; E499-Y604 HydrophobicContact CG-CE1 4.09Å; E499-A607 HydrophobicContact CB-CB 3.5Å; E499-A607 VanDerWaalsContact CB-CB 3.5Å
500L98.1Very high97.3Very high6 Ų618.3 Ų18.33%0.03110%0.097CC..Hα-helixtrans-59.4-52.3-178.6174.6176.1000110.6A497 V498 S502 F504 L610 F632 I636 F649A497-L500 WeakPolarHBondContact O-CB 3.44Å; A497-L500 PolarHBondContact O-N 2.84Å; A497-L500 VanDerWaalsContact O-N 3.09Å; V498-L500 VanDerWaalsContact C-N 3.31Å; V498-L500 PolarHBondContact O-N 3.04Å; L500-S502 PolarHBondContact O-N 3.02Å; L500-F504 WeakPolarHBondContact O-CB 3.32Å; L500-F504 PolarHBondContact O-N 2.96Å; L500-L610 HydrophobicContact CB-CB 4.21Å; L500-L610 HydrophobicContact CB-CD1 4.41Å; L500-L610 HydrophobicContact CD1-CB 3.57Å; L500-L610 HydrophobicContact CD1-CD1 3.96Å; L500-L610 HydrophobicContact CD1-CG 4.36Å; L500-L610 HydrophobicContact CG-CB 3.85Å; L500-F632 HydrophobicContact CD2-CE2 3.88Å; L500-F632 HydrophobicContact CD2-CZ 3.59Å; L500-I636 HydrophobicContact CD2-CG2 3.82Å; L500-F649 HydrophobicContact CD1-CD2 4.32Å
501P98Very high97.4Very high2 Ų218.2 Ų18.21%0.01310%0.096CC..Hα-helixtrans-65.3-34.2-179.5-27.640.8000114.6G472 H476 V498 M505 I636 L637G472-P501 WeakPolarHBondContact CA-O 3.43Å; G472-P501 WeakPolarHBondContact O-CB 3.43Å; H476-P501 HydrophobicContact CB-CB 3.98Å; H476-P501 HydrophobicContact CB-CG 3.9Å; V498-P501 WeakPolarHBondContact O-CD 3.32Å; P501-M505 WeakPolarHBondContact O-CG 3.39Å; P501-M505 PolarHBondContact O-N 2.95Å; P501-I636 HydrophobicContact CG-CG2 4.42Å; P501-L637 HydrophobicContact CB-CD2 3.74Å; P501-L637 HydrophobicContact CG-CD2 4.1Å
502S98.2Very high97.3Very high0 Ų019.2 Ų19.20%010%0.101CC..Hα-helixtrans-68.4-56.7179.754.80000111H469 H473 E499 L500 F504 M505 E506H469-S502 PolarHBondContact CE1-OG 3.2Å; H469-S502 VanDerWaalsContact CE1-OG 3.25Å; H469-S502 VanDerWaalsContact O-CA 3.31Å; H469-S502 WeakPolarHBondContact O-CA 3.38Å; H469-S502 WeakPolarHBondContact O-CB 3.37Å; H473-S502 VanDerWaalsContact CD2-CB 3.47Å; H473-S502 WeakPolarHBondContact CD2-CB 3.48Å; H473-S502 PolarHBondContact CE1-OG 3.41Å; H473-S502 VanDerWaalsContact CE1-OG 3.24Å; H473-S502 VanDerWaalsContact NE2-CB 3.34Å; H473-S502 WeakPolarHBondContact NE2-CB 3.17Å; H473-S502 PolarHBondContact NE2-OG 3Å; E499-S502 VanDerWaalsContact CA-OG 3.28Å; E499-S502 WeakPolarHBondContact CA-OG 3.27Å; E499-S502 PolarHBondContact O-N 3.48Å; E499-S502 PolarHBondContact O-OG 2.78Å; E499-S502 PolarHBondContact OE2-OG 2.93Å; L500-S502 PolarHBondContact O-N 3.02Å; S502-F504 VanDerWaalsContact C-N 3.27Å; S502-F504 PolarHBondContact O-N 3.17Å; S502-M505 PolarHBondContact O-N 3.44Å; S502-M505 VanDerWaalsContact O-N 3.1Å; S502-E506 PolarHBondContact O-N 3.34Å
503Q98.3Very high97.3Very high19 Ų1923.9 Ų23.99%0.08912%0.115CC..Hα-helixtrans-63.9-33.6179.4-67175.2-50.800112.2E499 M505 E506 N507 Y604 D608 A611E499-Q503 HydrophobicContact CB-CG 4.35Å; E499-Q503 WeakPolarHBondContact O-CB 3.38Å; E499-Q503 WeakPolarHBondContact O-CG 3.44Å; E499-Q503 PolarHBondContact O-N 3.47Å; E499-Q503 PolarHBondContact O-OE1 2.76Å; Q503-M505 VanDerWaalsContact C-N 3.3Å; Q503-M505 PolarHBondContact O-N 3.35Å; Q503-E506 WeakPolarHBondContact CA-OE1 3.47Å; Q503-E506 WeakPolarHBondContact O-CB 3.43Å; Q503-E506 PolarHBondContact O-N 3.48Å; Q503-N507 PolarHBondContact O-ND2 3.32Å; Q503-Y604 PolarHBondContact NE2-O 3.41Å; Q503-Y604 PolarHBondContact OE1-O 3.36Å; Q503-D608 VanDerWaalsContact OE1-CA 3.25Å; Q503-A611 HydrophobicContact CB-CB 3.63Å
504F98.3Very high97.3Very high0 Ų023.1 Ų23.10%011%0.11CC..Hα-helixtrans-58.5-42.8174.3173.1-94.7000111.9Y374 L500 S502 E506 N507 W508 A611 A614 F615 F618 F632Y374-F504 VanDerWaalsContact OH-CE1 3.3Å; Y374-F504 WeakPolarHBondContact OH-CE1 3.34Å; L500-F504 WeakPolarHBondContact O-CB 3.32Å; L500-F504 PolarHBondContact O-N 2.96Å; S502-F504 VanDerWaalsContact C-N 3.27Å; S502-F504 PolarHBondContact O-N 3.17Å; F504-E506 VanDerWaalsContact C-N 3.29Å; F504-E506 PolarHBondContact O-N 3.26Å; F504-N507 PolarHBondContact O-N 2.92Å; F504-N507 PolarHBondContact O-ND2 3.21Å; F504-W508 HydrophobicContact CD1-CH2 4.29Å; F504-W508 AromaticContact CD1-CZ3 3.84Å; F504-W508 HydrophobicContact CD1-CZ3 3.84Å; F504-W508 AromaticContact CE1-CH2 3.38Å; F504-W508 HydrophobicContact CE1-CH2 3.38Å; F504-W508 AromaticContact CE1-CZ3 3.37Å; F504-W508 HydrophobicContact CE1-CZ3 3.37Å; F504-W508 HydrophobicContact CE2-CH2 4.35Å; F504-W508 AromaticContact CZ-CH2 3.43Å; F504-W508 HydrophobicContact CZ-CH2 3.43Å; F504-W508 VanDerWaalsContact CZ-CH2 3.43Å; F504-W508 AromaticContact CZ-CZ3 3.78Å; F504-W508 HydrophobicContact CZ-CZ3 3.78Å; F504-A611 HydrophobicContact CB-CB 4.22Å; F504-A614 HydrophobicContact CD2-CB 4.08Å; F504-A614 HydrophobicContact CE2-CB 4.3Å; F504-F615 HydrophobicContact CD2-CB 4.12Å; F504-F615 HydrophobicContact CD2-CD2 4.5Å; F504-F615 HydrophobicContact CE2-CB 4.17Å; F504-F615 HydrophobicContact CE2-CD2 4.14Å; F504-F618 AromaticContact CE2-CD2 3.93Å; F504-F618 HydrophobicContact CE2-CD2 3.93Å; F504-F618 AromaticContact CE2-CE2 3.84Å; F504-F618 HydrophobicContact CE2-CE2 3.84Å; F504-F618 AromaticContact CZ-CD2 3.84Å; F504-F618 HydrophobicContact CZ-CD2 3.84Å; F504-F618 AromaticContact CZ-CE2 3.4Å; F504-F618 HydrophobicContact CZ-CE2 3.4Å; F504-F618 AromaticContact CZ-CZ 3.98Å; F504-F618 HydrophobicContact CZ-CZ 3.98Å; F504-F632 HydrophobicContact CB-CZ 4.19Å; F504-F632 HydrophobicContact CD1-CD1 4.35Å; F504-F632 AromaticContact CD1-CE1 3.68Å; F504-F632 HydrophobicContact CD1-CE1 3.68Å; F504-F632 HydrophobicContact CD1-CE2 4.26Å; F504-F632 AromaticContact CD1-CZ 3.62Å; F504-F632 HydrophobicContact CD1-CZ 3.62Å; F504-F632 AromaticContact CD2-CE2 3.88Å; F504-F632 HydrophobicContact CD2-CE2 3.88Å; F504-F632 AromaticContact CD2-CZ 3.99Å; F504-F632 HydrophobicContact CD2-CZ 3.99Å; F504-F632 AromaticContact CE1-CD1 3.91Å; F504-F632 HydrophobicContact CE1-CD1 3.91Å; F504-F632 HydrophobicContact CE1-CD2 4.46Å; F504-F632 AromaticContact CE1-CE1 3.71Å; F504-F632 HydrophobicContact CE1-CE1 3.71Å; F504-F632 HydrophobicContact CE1-CE2 4.29Å; F504-F632 HydrophobicContact CE1-CG 4.28Å; F504-F632 AromaticContact CE1-CZ 3.91Å; F504-F632 HydrophobicContact CE1-CZ 3.91Å; F504-F632 HydrophobicContact CE2-CD2 4.1Å; F504-F632 AromaticContact CE2-CE2 3.9Å; F504-F632 HydrophobicContact CE2-CE2 3.9Å; F504-F632 HydrophobicContact CE2-CZ 4.24Å; F504-F632 HydrophobicContact CG-CE1 4.2Å; F504-F632 HydrophobicContact CG-CE2 4.05Å; F504-F632 AromaticContact CG-CZ 3.65Å; F504-F632 HydrophobicContact CG-CZ 3.65Å; F504-F632 HydrophobicContact CZ-CD1 4.21Å; F504-F632 HydrophobicContact CZ-CD2 4.05Å; F504-F632 HydrophobicContact CZ-CE1 4.25Å; F504-F632 HydrophobicContact CZ-CE2 4.09Å; F504-F632 HydrophobicContact CZ-CG 4.09Å; F504-F632 HydrophobicContact CZ-CZ 4.19Å
505M98.5Very high97.4Very high1 Ų122.7 Ų22.71%0.00511%0.108CC..Hα-helixtrans-67.9-26.7-179.8-78.8-59.9-53.400113.4L366 V369 V370 I373 Y374 F468 L475 P501 S502 Q503 N507 W508L366-M505 HydrophobicContact CD1-CE 4.08Å; V369-M505 HydrophobicContact CG1-CE 4.04Å; V370-M505 HydrophobicContact CG2-CE 4.07Å; I373-M505 HydrophobicContact CD1-SD 4.1Å; Y374-M505 HydrophobicContact CE2-SD 4.42Å; F468-M505 HydrophobicContact CB-CB 4.5Å; F468-M505 HydrophobicContact CD1-CE 3.97Å; F468-M505 WeakPolarHBondContact CD1-O 3.5Å; F468-M505 HydrophobicContact CE1-CE 4.35Å; F468-M505 WeakPolarHBondContact O-CB 3.32Å; L475-M505 HydrophobicContact CD1-CE 4.42Å; L475-M505 HydrophobicContact CD1-CG 4.18Å; L475-M505 HydrophobicContact CD1-SD 3.9Å; P501-M505 WeakPolarHBondContact O-CG 3.39Å; P501-M505 PolarHBondContact O-N 2.95Å; S502-M505 PolarHBondContact O-N 3.44Å; S502-M505 VanDerWaalsContact O-N 3.1Å; Q503-M505 VanDerWaalsContact C-N 3.3Å; Q503-M505 PolarHBondContact O-N 3.35Å; M505-N507 PolarHBondContact O-N 2.81Å; M505-W508 HydrophobicContact CE-CE3 4.42Å; M505-W508 HydrophobicContact SD-CE3 4.3Å; M505-W508 HydrophobicContact SD-CZ3 4.11Å
506E98.4Very high97.5Very high48 Ų4821.4 Ų21.422%0.22412%0.117CC..Hα-helixtrans-60.2-27.9179.6-62.9178.6-146.600113.1I465 H469 S502 Q503 F504 W508 C509I465-E506 HydrophobicContact CG2-CB 4.07Å; I465-E506 HydrophobicContact CG2-CG 3.77Å; I465-E506 WeakPolarHBondContact CG2-OE2 3.27Å; H469-E506 HydrophobicContact CB-CG 4Å; H469-E506 IonicContact CE1-OE1 3.78Å; H469-E506 IonicContact CG-OE1 2.81Å; H469-E506 IonicContact ND1-OE1 2.81Å; H469-E506 PolarHBondContact ND1-OE1 2.85Å; S502-E506 PolarHBondContact O-N 3.34Å; Q503-E506 WeakPolarHBondContact CA-OE1 3.47Å; Q503-E506 WeakPolarHBondContact O-CB 3.43Å; Q503-E506 PolarHBondContact O-N 3.48Å; F504-E506 VanDerWaalsContact C-N 3.29Å; F504-E506 PolarHBondContact O-N 3.26Å; E506-W508 VanDerWaalsContact C-N 3.28Å; E506-W508 PolarHBondContact O-N 3.2Å; E506-C509 WeakPolarHBondContact O-CB 3.46Å; E506-C509 PolarHBondContact O-N 2.82Å
507N98.1Very high97.5Very high16 Ų1623.4 Ų23.49%0.08613%0.126CC..G310 helixtrans-60.1-34.5-174.3-69.8-74.3000113.4Q503 F504 M505 C509 W510 F615Q503-N507 PolarHBondContact O-ND2 3.32Å; F504-N507 PolarHBondContact O-N 2.92Å; F504-N507 PolarHBondContact O-ND2 3.21Å; M505-N507 PolarHBondContact O-N 2.81Å; N507-C509 PolarHBondContact O-N 2.75Å; N507-C509 VanDerWaalsContact O-N 3.15Å; N507-W510 PolarHBondContact O-N 2.93Å; N507-F615 HydrophobicContact CB-CB 4.45Å; N507-F615 HydrophobicContact CB-CD1 3.61Å; N507-F615 HydrophobicContact CB-CD2 3.39Å; N507-F615 HydrophobicContact CB-CE1 3.56Å; N507-F615 HydrophobicContact CB-CE2 3.34Å; N507-F615 HydrophobicContact CB-CG 3.53Å; N507-F615 HydrophobicContact CB-CZ 3.43Å; N507-F615 VanDerWaalsContact CB-CZ 3.43Å; N507-F615 VanDerWaalsContact CG-CG 3.41Å
508W98.3Very high97.6Very high0 Ų023.2 Ų23.20%012%0.124CC..G310 helixtrans-65.2-17.6176.6-78.7-87.4000113.6V369 I373 F468 F504 M505 E506 W510 E511 A514 F615 F618 I623 F624V369-W508 HydrophobicContact CG1-CB 4.14Å; V369-W508 HydrophobicContact CG1-CD2 3.75Å; V369-W508 HydrophobicContact CG1-CE3 4.38Å; V369-W508 HydrophobicContact CG1-CG 3.61Å; V369-W508 HydrophobicContact CG2-CB 4.18Å; V369-W508 HydrophobicContact CG2-CG 4.22Å; I373-W508 HydrophobicContact CD1-CH2 4.03Å; I373-W508 HydrophobicContact CD1-CZ2 4.1Å; I373-W508 HydrophobicContact CD1-CZ3 4.43Å; I373-W508 HydrophobicContact CG2-CZ2 3.69Å; F468-W508 HydrophobicContact CE1-CB 4.17Å; F504-W508 HydrophobicContact CD1-CH2 4.29Å; F504-W508 AromaticContact CD1-CZ3 3.84Å; F504-W508 HydrophobicContact CD1-CZ3 3.84Å; F504-W508 AromaticContact CE1-CH2 3.38Å; F504-W508 HydrophobicContact CE1-CH2 3.38Å; F504-W508 AromaticContact CE1-CZ3 3.37Å; F504-W508 HydrophobicContact CE1-CZ3 3.37Å; F504-W508 HydrophobicContact CE2-CH2 4.35Å; F504-W508 AromaticContact CZ-CH2 3.43Å; F504-W508 HydrophobicContact CZ-CH2 3.43Å; F504-W508 VanDerWaalsContact CZ-CH2 3.43Å; F504-W508 AromaticContact CZ-CZ3 3.78Å; F504-W508 HydrophobicContact CZ-CZ3 3.78Å; M505-W508 HydrophobicContact CE-CE3 4.42Å; M505-W508 HydrophobicContact SD-CE3 4.3Å; M505-W508 HydrophobicContact SD-CZ3 4.11Å; E506-W508 VanDerWaalsContact C-N 3.28Å; E506-W508 PolarHBondContact O-N 3.2Å; W508-W510 PolarHBondContact O-N 3.29Å; W508-E511 PolarHBondContact O-N 3.45Å; W508-A514 HydrophobicContact CB-CB 4.15Å; W508-A514 HydrophobicContact CG-CB 4.47Å; W508-A514 VanDerWaalsContact O-CB 3.29Å; W508-A514 WeakPolarHBondContact O-CB 3.43Å; W508-F615 HydrophobicContact CD2-CE2 4.24Å; W508-F615 HydrophobicContact CE3-CE2 4.16Å; W508-F615 HydrophobicContact CH2-CD2 4.19Å; W508-F615 HydrophobicContact CH2-CE2 4Å; W508-F615 HydrophobicContact CZ2-CE2 4.07Å; W508-F615 HydrophobicContact CZ3-CD2 4.16Å; W508-F615 HydrophobicContact CZ3-CE2 4.04Å; W508-F618 HydrophobicContact CH2-CD1 4.49Å; W508-F618 HydrophobicContact CH2-CE1 4.41Å; W508-F618 HydrophobicContact CH2-CZ 4.49Å; W508-F618 HydrophobicContact CZ2-CD1 4.06Å; W508-F618 HydrophobicContact CZ2-CE1 4.14Å; W508-F618 HydrophobicContact CZ2-CG 4.5Å; W508-I623 WeakPolarHBondContact CZ2-O 3.25Å; W508-I623 PolarHBondContact NE1-O 3.41Å; W508-F624 AromaticContact CD1-CE1 3.7Å; W508-F624 AromaticContact CD1-CZ 3.91Å; W508-F624 AromaticContact NE1-CD1 3.98Å; W508-F624 AromaticContact NE1-CE1 3.56Å
509C98Very high97.7Very high0 Ų022.8 Ų22.80%012%0.122CC..G310 helixtrans-70-10172.6-61.10000112.6H461 I465 F468 E506 N507 L515H461-C509 PolarHBondContact CE1-O 3.33Å; H461-C509 PolarHBondContact NE2-O 2.98Å; I465-C509 HydrophobicContact CG1-CB 3.71Å; F468-C509 WeakPolarHBondContact CG-SG 3.34Å; E506-C509 WeakPolarHBondContact O-CB 3.46Å; E506-C509 PolarHBondContact O-N 2.82Å; N507-C509 PolarHBondContact O-N 2.75Å; N507-C509 VanDerWaalsContact O-N 3.15Å; C509-L515 WeakPolarHBondContact O-CD2 3.43Å
510W96.7Very high97.7Very high48 Ų4822.9 Ų22.918%0.18212%0.122CC..G310 helixtrans-110.6-3178.3-61.4103.2000113.5H461 I465 N507 W508 M536 L537 K540H461-W510 AromaticContact CE1-CD2 3.83Å; H461-W510 AromaticContact CE1-CE2 3.7Å; H461-W510 AromaticContact CE1-CE3 3.72Å; H461-W510 AromaticContact CE1-CH2 3.42Å; H461-W510 VanDerWaalsContact CE1-CH2 3.42Å; H461-W510 WeakPolarHBondContact CE1-CH2 3.2Å; H461-W510 AromaticContact CE1-CZ2 3.52Å; H461-W510 AromaticContact CE1-CZ3 3.52Å; H461-W510 AromaticContact ND1-CH2 3.55Å; H461-W510 AromaticContact ND1-CZ2 3.85Å; H461-W510 AromaticContact ND1-CZ3 3.94Å; I465-W510 HydrophobicContact CD1-CZ2 3.6Å; N507-W510 PolarHBondContact O-N 2.93Å; W508-W510 PolarHBondContact O-N 3.29Å; W510-M536 HydrophobicContact CE3-CE 4.36Å; W510-M536 HydrophobicContact CZ3-CE 4.48Å; W510-M536 HydrophobicContact CZ3-CG 4.38Å; W510-L537 HydrophobicContact CE3-CD2 4.34Å; W510-L537 WeakPolarHBondContact O-CD2 3.3Å; W510-K540 HydrophobicContact CB-CD 4.38Å; W510-K540 HydrophobicContact CD2-CD 3.82Å; W510-K540 HydrophobicContact CD2-CG 3.84Å; W510-K540 HydrophobicContact CE3-CB 3.94Å; W510-K540 HydrophobicContact CE3-CD 3.89Å; W510-K540 HydrophobicContact CE3-CG 3.67Å; W510-K540 HydrophobicContact CG-CD 4.04Å; W510-K540 HydrophobicContact CH2-CB 4.24Å; W510-K540 HydrophobicContact CH2-CG 4.01Å; W510-K540 HydrophobicContact CZ2-CG 4.15Å; W510-K540 HydrophobicContact CZ3-CB 3.74Å; W510-K540 HydrophobicContact CZ3-CD 4.49Å; W510-K540 HydrophobicContact CZ3-CG 3.77Å
511E97.2Very high97.7Very high39 Ų3924.1 Ų24.118%0.18213%0.128CC..  trans-91.2121-175.4-70.6-55.3142.800112.1W508 E513 A514 L515 F615 I623W508-E511 PolarHBondContact O-N 3.45Å; E511-E513 VanDerWaalsContact C-N 3.27Å; E511-E513 PolarHBondContact O-N 2.86Å; E511-E513 VanDerWaalsContact O-N 3.17Å; E511-A514 HydrophobicContact CB-CB 3.95Å; E511-A514 PolarHBondContact O-N 3.39Å; E511-L515 WeakPolarHBondContact O-CB 3.34Å; E511-L515 WeakPolarHBondContact O-CG 3.39Å; E511-L515 PolarHBondContact O-N 3.07Å; E511-F615 HydrophobicContact CG-CZ 4.14Å; E511-I623 HydrophobicContact CB-CD1 3.55Å; E511-I623 HydrophobicContact CG-CB 4.45Å; E511-I623 HydrophobicContact CG-CD1 3.74Å; E511-I623 HydrophobicContact CG-CG2 4.03Å
512P97.1Very high97.6Very high58 Ų5827.1 Ų27.138%0.37714%0.139SC..Hα-helixtrans-50.2-43.1-179.8-3135.8000114.4A514 A516 L533 L537P512-A514 VanDerWaalsContact C-N 3.33Å; P512-A514 PolarHBondContact O-N 3.45Å; P512-A516 PolarHBondContact O-N 3.34Å; P512-A516 VanDerWaalsContact O-N 3.07Å; P512-L533 HydrophobicContact CB-CD2 4.03Å; P512-L537 HydrophobicContact CG-CD1 3.92Å
513E96.6Very high97.4Very high127 Ų12733.6 Ų33.659%0.59317%0.17SC*.Hα-helixtrans-68.6-32.5-178.4-63.5179-144.500112.3E511 F517 I623 F624E511-E513 VanDerWaalsContact C-N 3.27Å; E511-E513 PolarHBondContact O-N 2.86Å; E511-E513 VanDerWaalsContact O-N 3.17Å; E513-F517 WeakPolarHBondContact O-CD1 3.24Å; E513-F517 WeakPolarHBondContact O-CE1 3.34Å; E513-I623 HydrophobicContact CB-CD1 3.99Å; E513-F624 HydrophobicContact CB-CE2 4.03Å
514A98Very high97.3Very high0 Ų037 Ų370%019%0.192CC..Hα-helixtrans-77-47.2176.100000111.1V369 W508 E511 P512 A516 F517 I518 F624V369-A514 HydrophobicContact CG2-CB 4.34Å; W508-A514 HydrophobicContact CB-CB 4.15Å; W508-A514 HydrophobicContact CG-CB 4.47Å; W508-A514 VanDerWaalsContact O-CB 3.29Å; W508-A514 WeakPolarHBondContact O-CB 3.43Å; E511-A514 HydrophobicContact CB-CB 3.95Å; E511-A514 PolarHBondContact O-N 3.39Å; P512-A514 VanDerWaalsContact C-N 3.33Å; P512-A514 PolarHBondContact O-N 3.45Å; A514-A516 PolarHBondContact O-N 2.99Å; A514-A516 VanDerWaalsContact O-N 3.16Å; A514-F517 HydrophobicContact CB-CZ 4.3Å; A514-F517 WeakPolarHBondContact O-CG 3.04Å; A514-F517 PolarHBondContact O-N 3.22Å; A514-I518 HydrophobicContact CB-CD1 3.88Å; A514-I518 WeakPolarHBondContact O-CG1 3.13Å; A514-I518 PolarHBondContact O-N 2.89Å; A514-F624 HydrophobicContact CB-CZ 3.87Å
515L97.8Very high97.1Very high2 Ų239.2 Ų39.21%0.0122%0.215CC..Hα-helixtrans-56.5-32.1177.2-75.8165.5000112.7F357 C509 E511 F517 I518 S519 L533 M536F357-L515 HydrophobicContact CE1-CD2 4.02Å; F357-L515 HydrophobicContact CZ-CD2 4.03Å; C509-L515 WeakPolarHBondContact O-CD2 3.43Å; E511-L515 WeakPolarHBondContact O-CB 3.34Å; E511-L515 WeakPolarHBondContact O-CG 3.39Å; E511-L515 PolarHBondContact O-N 3.07Å; L515-F517 PolarHBondContact O-N 3.13Å; L515-F517 VanDerWaalsContact O-N 3.1Å; L515-I518 PolarHBondContact O-N 2.98Å; L515-S519 WeakPolarHBondContact O-CB 3.37Å; L515-S519 PolarHBondContact O-N 3.24Å; L515-S519 PolarHBondContact O-OG 2.76Å; L515-L533 HydrophobicContact CB-CD1 4.49Å; L515-L533 HydrophobicContact CD1-CD1 3.54Å; L515-M536 HydrophobicContact CD1-CE 3.35Å; L515-M536 HydrophobicContact CD2-CE 4.19Å; L515-M536 HydrophobicContact CG-CE 4.42Å
516A97Very high97.1Very high66 Ų6645 Ų4555%0.54524%0.242SC..Hα-helixtrans-57-24.3176.500000114.2P512 A514P512-A516 PolarHBondContact O-N 3.34Å; P512-A516 VanDerWaalsContact O-N 3.07Å; A514-A516 PolarHBondContact O-N 2.99Å; A514-A516 VanDerWaalsContact O-N 3.16Å
517F96.8Very high97Very high43 Ų4346.4 Ų46.419%0.18926%0.255CS..Hα-helixtrans-121-12.7176.760.8-102.3000114.5G365 E368 V369 R372 E513 A514 L515 S519 F624G365-F517 WeakPolarHBondContact O-CE2 3.24Å; E368-F517 HydrophobicContact CB-CD2 3.86Å; E368-F517 HydrophobicContact CB-CE2 3.71Å; E368-F517 HydrophobicContact CG-CD2 3.69Å; E368-F517 HydrophobicContact CG-CE2 3.56Å; E368-F517 HydrophobicContact CG-CG 4.28Å; E368-F517 HydrophobicContact CG-CZ 4.04Å; V369-F517 HydrophobicContact CG2-CE2 3.71Å; V369-F517 HydrophobicContact CG2-CZ 3.87Å; R372-F517 VanDerWaalsContact CZ-CE1 3.5Å; R372-F517 VanDerWaalsContact NH1-CE1 3.28Å; E513-F517 WeakPolarHBondContact O-CD1 3.24Å; E513-F517 WeakPolarHBondContact O-CE1 3.34Å; A514-F517 HydrophobicContact CB-CZ 4.3Å; A514-F517 WeakPolarHBondContact O-CG 3.04Å; A514-F517 PolarHBondContact O-N 3.22Å; L515-F517 PolarHBondContact O-N 3.13Å; L515-F517 VanDerWaalsContact O-N 3.1Å; F517-S519 VanDerWaalsContact C-N 3.34Å; F517-F624 HydrophobicContact CE1-CE2 4.03Å; F517-F624 AromaticContact CE1-CZ 3.74Å; F517-F624 HydrophobicContact CE1-CZ 3.74Å; F517-F624 HydrophobicContact CZ-CE1 4.1Å; F517-F624 HydrophobicContact CZ-CE2 4.24Å; F517-F624 AromaticContact CZ-CZ 3.49Å; F517-F624 HydrophobicContact CZ-CZ 3.49Å; F517-F624 VanDerWaalsContact CZ-CZ 3.49Å
518I98.2Very high96.9Very high0 Ų046.4 Ų46.40%026%0.255CS..Hα-helixtrans-74.2-28.9167.1-64.2163.9000111.2F357 K361 A362 V369 V464 F468 A514 L515F357-I518 HydrophobicContact CD1-CG2 4.41Å; F357-I518 HydrophobicContact CE1-CG2 4.27Å; K361-I518 CarbonylContact C-O 3.59Å; K361-I518 VanDerWaalsContact C-O 3.26Å; A362-I518 PolarHBondContact N-O 3.31Å; V369-I518 HydrophobicContact CG2-CD1 4.07Å; V464-I518 HydrophobicContact CG1-CG2 3.95Å; F468-I518 HydrophobicContact CE1-CD1 4.09Å; F468-I518 HydrophobicContact CE2-CD1 4.32Å; F468-I518 HydrophobicContact CE2-CG2 4.42Å; F468-I518 HydrophobicContact CZ-CD1 3.5Å; F468-I518 HydrophobicContact CZ-CG1 3.97Å; A514-I518 HydrophobicContact CB-CD1 3.88Å; A514-I518 WeakPolarHBondContact O-CG1 3.13Å; A514-I518 PolarHBondContact O-N 2.89Å; L515-I518 PolarHBondContact O-N 2.98Å
519S97.7Very high96.7Very high3 Ų348.9 Ų48.92%0.02127%0.271CS..  trans-110.1162.6-17874.10000113.4Y356 L515 F517 L528Y356-S519 CarbonylContact O-C 3.59Å; Y356-S519 WeakPolarHBondContact O-CA 3.24Å; Y356-S519 WeakPolarHBondContact O-CB 3.47Å; L515-S519 WeakPolarHBondContact O-CB 3.37Å; L515-S519 PolarHBondContact O-N 3.24Å; L515-S519 PolarHBondContact O-OG 2.76Å; F517-S519 VanDerWaalsContact C-N 3.34Å; S519-L528 VanDerWaalsContact OG-CB 3.31Å; S519-L528 WeakPolarHBondContact OG-CB 3.48Å
520G97.5Very high96.6Very high2 Ų256.2 Ų56.22%0.02130%0.303CS..  trans166.9135.1173.100000110.4Y356 P358 Y522 E526Y356-G520 CarbonylContact C-O 3.54Å; Y356-G520 PolarHBondContact O-N 3.12Å; P358-G520 VanDerWaalsContact CD-O 3.22Å; P358-G520 WeakPolarHBondContact CD-O 3.2Å; G520-Y522 PolarHBondContact O-N 3.04Å; G520-E526 CarbonylContact C-O 3.54Å; G520-E526 WeakPolarHBondContact CA-O 3.25Å
521H97.3Very high96.5Very high32 Ų3260 Ų6015%0.14832%0.323CS..  trans-59.6132.2-174.5-168.4-79.3000111.5P355 Y356 E523 T524 G525 E526P355-H521 CarbonylContact O-C 3.59Å; P355-H521 WeakPolarHBondContact O-CA 3.39Å; Y356-H521 HydrophobicContact CD1-CB 3.88Å; Y356-H521 HydrophobicContact CE1-CB 3.73Å; Y356-H521 AromaticContact CZ-CD2 3.85Å; H521-E523 VanDerWaalsContact C-N 3.33Å; H521-E523 IonicContact CE1-OE2 2.57Å; H521-E523 PolarHBondContact ND1-N 3.14Å; H521-E523 VanDerWaalsContact ND1-N 3.16Å; H521-E523 PolarHBondContact O-N 3.39Å; H521-T524 WeakPolarHBondContact CB-OG1 3.44Å; H521-T524 PolarHBondContact ND1-N 3.32Å; H521-G525 VanDerWaalsContact O-CA 3.25Å; H521-G525 WeakPolarHBondContact O-CA 3.39Å; H521-G525 PolarHBondContact O-N 2.92Å; H521-E526 PolarHBondContact N-O 3.14Å
522Y95Very high96.4Very high65 Ų6559.5 Ų59.526%0.25532%0.321SS..THydrogen-bonded Turntrans-63.5-33.2-171.982.8-74.2000114.3P355 P456 L458 G520P355-Y522 HydrophobicContact CB-CD1 4.04Å; P355-Y522 HydrophobicContact CB-CE1 4.27Å; P355-Y522 PolarHBondContact O-N 3.19Å; P456-Y522 HydrophobicContact CG-CD2 4.06Å; L458-Y522 HydrophobicContact CD1-CD1 4.24Å; L458-Y522 HydrophobicContact CD1-CE1 4.37Å; L458-Y522 HydrophobicContact CD1-CG 4.47Å; L458-Y522 HydrophobicContact CD2-CD1 4.36Å; L458-Y522 HydrophobicContact CD2-CD2 4.42Å; L458-Y522 HydrophobicContact CD2-CG 3.94Å; G520-Y522 PolarHBondContact O-N 3.04Å
523E94.7Very high96.3Very high137 Ų13757.9 Ų57.964%0.6431%0.309SS*.THydrogen-bonded Turntrans-87.8-47.4178-64.4175.1141.700114.1H521H521-E523 VanDerWaalsContact C-N 3.33Å; H521-E523 IonicContact CE1-OE2 2.57Å; H521-E523 PolarHBondContact ND1-N 3.14Å; H521-E523 VanDerWaalsContact ND1-N 3.16Å; H521-E523 PolarHBondContact O-N 3.39Å
524T96.4Very high96.3Very high89 Ų8955.6 Ų55.655%0.54630%0.301SS..THydrogen-bonded Turntrans-94.3-21-170.162.40000112.7H521 E526H521-T524 WeakPolarHBondContact CB-OG1 3.44Å; H521-T524 PolarHBondContact ND1-N 3.32Å; T524-E526 PolarHBondContact O-N 3.3Å; T524-E526 WeakPolarHBondContact OG1-CB 3.42Å; T524-E526 WeakPolarHBondContact OG1-CG 3.25Å; T524-E526 PolarHBondContact OG1-N 2.83Å
525G95.1Very high96.2Very high47 Ų4757.9 Ų57.949%0.48531%0.311SS..  trans72.51.5-170.900000114.4H521H521-G525 VanDerWaalsContact O-CA 3.25Å; H521-G525 WeakPolarHBondContact O-CA 3.39Å; H521-G525 PolarHBondContact O-N 2.92Å
526E97.2Very high96Very high122 Ų12258.1 Ų58.157%0.5731%0.312SS*.PPolyproline II helixtrans-62142.7179.6-70.6-65.7147.800111G520 H521 T524G520-E526 CarbonylContact C-O 3.54Å; G520-E526 WeakPolarHBondContact CA-O 3.25Å; H521-E526 PolarHBondContact N-O 3.14Å; T524-E526 PolarHBondContact O-N 3.3Å; T524-E526 WeakPolarHBondContact OG1-CB 3.42Å; T524-E526 WeakPolarHBondContact OG1-CG 3.25Å; T524-E526 PolarHBondContact OG1-N 2.83Å
527P96.6Very high95.9Very high78 Ų7857.6 Ų57.651%0.50630%0.3SS..PPolyproline II helixtrans-64.8159.5177.529.8-35.3000111P529P527-P529 WeakPolarHBondContact O-CD 3.35Å; P527-P529 VanDerWaalsContact O-N 3.13Å
528L95.4Very high95.8Very high17 Ų1758.4 Ų58.49%0.08931%0.314CS..PPolyproline II helixtrans-53.7118.6170.4178.365.4000109.6L353 Y356 S519 K530 L532 L533L353-L528 HydrophobicContact CD2-CD1 3.77Å; Y356-L528 HydrophobicContact CD1-CB 4.31Å; Y356-L528 HydrophobicContact CD1-CD1 4.29Å; Y356-L528 HydrophobicContact CD2-CD1 4Å; Y356-L528 HydrophobicContact CE2-CD1 4.46Å; Y356-L528 HydrophobicContact CG-CD1 3.91Å; S519-L528 VanDerWaalsContact OG-CB 3.31Å; S519-L528 WeakPolarHBondContact OG-CB 3.48Å; L528-K530 PolarHBondContact O-N 3.19Å; L528-L532 HydrophobicContact CD1-CB 3.91Å; L528-L532 HydrophobicContact CD1-CD1 4.39Å; L528-L533 HydrophobicContact CD2-CB 4.02Å; L528-L533 HydrophobicContact CD2-CD1 4.07Å; L528-L533 HydrophobicContact CG-CB 4.3Å
529P95.5Very high95.6Very high51 Ų5159 Ų5933%0.33132%0.319SS..PPolyproline II helixtrans-56.7136.8-179.4-28.534.8000111.2Y356 P527 E531 L532 L533Y356-P529 HydrophobicContact CE1-CG 4.3Å; Y356-P529 WeakPolarHBondContact OH-CD 3.48Å; Y356-P529 WeakPolarHBondContact OH-CG 3.43Å; P527-P529 WeakPolarHBondContact O-CD 3.35Å; P527-P529 VanDerWaalsContact O-N 3.13Å; P529-E531 PolarHBondContact O-N 3.48Å; P529-E531 VanDerWaalsContact O-N 3.12Å; P529-L532 HydrophobicContact CB-CG 4.45Å; P529-L532 HydrophobicContact CG-CD1 4.2Å; P529-L532 PolarHBondContact O-N 2.91Å; P529-L533 PolarHBondContact O-N 3.38Å
530K95.5Very high95.4Very high155 Ų15561.9 Ų61.967%0.67433%0.332SS*.Hα-helixtrans-51.9-40.1179.7-170.2-170.2174-1630112.3L528 L532 L533 D534L528-K530 PolarHBondContact O-N 3.19Å; K530-L532 VanDerWaalsContact C-N 3.35Å; K530-L532 PolarHBondContact O-N 3.07Å; K530-L533 PolarHBondContact O-N 3.05Å; K530-D534 WeakPolarHBondContact CE-OD2 3.46Å; K530-D534 WeakPolarHBondContact O-CB 3.42Å; K530-D534 PolarHBondContact O-N 3.48Å
531E94.9Very high95.3Very high128 Ų12864.5 Ų64.560%0.59835%0.345SS*.Hα-helixtrans-62.1-39.4177.8-171-172.5157.100112.8P529 K535P529-E531 PolarHBondContact O-N 3.48Å; P529-E531 VanDerWaalsContact O-N 3.12Å; E531-K535 VanDerWaalsContact O-CG 3.24Å; E531-K535 WeakPolarHBondContact O-CG 3.32Å; E531-K535 PolarHBondContact O-N 2.87Å; E531-K535 WeakPolarHBondContact OE1-CE 3.39Å; E531-K535 IonicContact OE1-NZ 3.6Å; E531-K535 PolarHBondContact OE1-NZ 2.93Å
532L94.3Very high95.2Very high28 Ų2864.8 Ų64.815%0.14735%0.345CS..Hα-helixtrans-71.5-39.4176.2-72.6-178.9000111.4L353 Y356 L528 P529 K530 K535 M536L353-L532 HydrophobicContact CD2-CB 4.42Å; Y356-L532 HydrophobicContact CE2-CD1 3.93Å; L528-L532 HydrophobicContact CD1-CB 3.91Å; L528-L532 HydrophobicContact CD1-CD1 4.39Å; P529-L532 HydrophobicContact CB-CG 4.45Å; P529-L532 HydrophobicContact CG-CD1 4.2Å; P529-L532 PolarHBondContact O-N 2.91Å; K530-L532 VanDerWaalsContact C-N 3.35Å; K530-L532 PolarHBondContact O-N 3.07Å; L532-K535 PolarHBondContact O-N 3.47Å; L532-M536 WeakPolarHBondContact O-CB 3.25Å; L532-M536 PolarHBondContact O-N 3.37Å
533L95.3Very high95.3Very high23 Ų2363 Ų6312%0.1234%0.339CS..Hα-helixtrans-59.3-51.3173.9176.661.5000111.4P512 L515 L528 P529 K530 K535 M536 L537P512-L533 HydrophobicContact CB-CD2 4.03Å; L515-L533 HydrophobicContact CB-CD1 4.49Å; L515-L533 HydrophobicContact CD1-CD1 3.54Å; L528-L533 HydrophobicContact CD2-CB 4.02Å; L528-L533 HydrophobicContact CD2-CD1 4.07Å; L528-L533 HydrophobicContact CG-CB 4.3Å; P529-L533 PolarHBondContact O-N 3.38Å; K530-L533 PolarHBondContact O-N 3.05Å; L533-K535 VanDerWaalsContact C-N 3.25Å; L533-K535 PolarHBondContact O-N 3.25Å; L533-M536 HydrophobicContact CD1-CE 4.13Å; L533-M536 WeakPolarHBondContact O-CB 3.47Å; L533-M536 PolarHBondContact O-N 3.22Å; L533-M536 VanDerWaalsContact O-N 3.08Å; L533-L537 HydrophobicContact CD1-CD1 3.97Å; L533-L537 HydrophobicContact CD1-CD2 4.47Å; L533-L537 HydrophobicContact CD1-CG 4.08Å; L533-L537 HydrophobicContact CG-CD1 4.04Å; L533-L537 HydrophobicContact CG-CG 4.5Å; L533-L537 WeakPolarHBondContact O-CG 3.25Å; L533-L537 PolarHBondContact O-N 3.11Å
534D95.9Very high95.3Very high80 Ų8056.8 Ų56.843%0.42831%0.311SS..Hα-helixtrans-58.4-39.2-179.9-68.9-17.2000111K530 A538K530-D534 WeakPolarHBondContact CE-OD2 3.46Å; K530-D534 WeakPolarHBondContact O-CB 3.42Å; K530-D534 PolarHBondContact O-N 3.48Å; D534-A538 VanDerWaalsContact O-CB 3.32Å; D534-A538 WeakPolarHBondContact O-CB 3.1Å; D534-A538 PolarHBondContact O-N 2.86Å
535K95.3Very high95.3Very high48 Ų4852.5 Ų52.521%0.20929%0.285CS..Hα-helixtrans-68.4-39.8175.1-71.3171-176.3169.80113Y346 I348 E531 L532 L533 A538 A539Y346-K535 WeakPolarHBondContact O-CD 3.38Å; Y346-K535 WeakPolarHBondContact O-CG 3.46Å; I348-K535 HydrophobicContact CB-CB 4.07Å; I348-K535 HydrophobicContact CD1-CB 3.93Å; I348-K535 HydrophobicContact CG1-CB 4.48Å; E531-K535 VanDerWaalsContact O-CG 3.24Å; E531-K535 WeakPolarHBondContact O-CG 3.32Å; E531-K535 PolarHBondContact O-N 2.87Å; E531-K535 WeakPolarHBondContact OE1-CE 3.39Å; E531-K535 IonicContact OE1-NZ 3.6Å; E531-K535 PolarHBondContact OE1-NZ 2.93Å; L532-K535 PolarHBondContact O-N 3.47Å; L533-K535 VanDerWaalsContact C-N 3.25Å; L533-K535 PolarHBondContact O-N 3.25Å; K535-A538 PolarHBondContact O-N 2.89Å; K535-A539 WeakPolarHBondContact O-CB 3.34Å; K535-A539 PolarHBondContact O-N 3.41Å
536M94.4Very high95.3Very high7 Ų751.3 Ų51.33%0.03427%0.267CS..Hα-helixtrans-61.9-46.7177-172-174.387.200110.7I348 L353 W510 L515 L532 L533 A539 K540I348-M536 VanDerWaalsContact CD1-CA 3.48Å; I348-M536 HydrophobicContact CD1-CB 3.67Å; I348-M536 HydrophobicContact CD1-CG 4.41Å; I348-M536 VanDerWaalsContact CD1-N 3.33Å; L353-M536 HydrophobicContact CD1-CB 4.31Å; L353-M536 HydrophobicContact CD1-CG 3.79Å; L353-M536 HydrophobicContact CD1-SD 3.76Å; L353-M536 HydrophobicContact CD2-SD 4.29Å; W510-M536 HydrophobicContact CE3-CE 4.36Å; W510-M536 HydrophobicContact CZ3-CE 4.48Å; W510-M536 HydrophobicContact CZ3-CG 4.38Å; L515-M536 HydrophobicContact CD1-CE 3.35Å; L515-M536 HydrophobicContact CD2-CE 4.19Å; L515-M536 HydrophobicContact CG-CE 4.42Å; L532-M536 WeakPolarHBondContact O-CB 3.25Å; L532-M536 PolarHBondContact O-N 3.37Å; L533-M536 HydrophobicContact CD1-CE 4.13Å; L533-M536 WeakPolarHBondContact O-CB 3.47Å; L533-M536 PolarHBondContact O-N 3.22Å; L533-M536 VanDerWaalsContact O-N 3.08Å; M536-A539 CarbonylContact O-C 3.44Å; M536-A539 PolarHBondContact O-N 3.01Å; M536-A539 VanDerWaalsContact O-N 3.12Å; M536-K540 PolarHBondContact O-N 3.49Å; M536-K540 VanDerWaalsContact O-N 3.13Å
537L94.6Very high95.2Very high54 Ų5450.5 Ų50.528%0.28326%0.262SS..Hα-helixtrans-66.5-38.6178.1-61.4175.1000111.9W510 P512 L533 A539 K540W510-L537 HydrophobicContact CE3-CD2 4.34Å; W510-L537 WeakPolarHBondContact O-CD2 3.3Å; P512-L537 HydrophobicContact CG-CD1 3.92Å; L533-L537 HydrophobicContact CD1-CD1 3.97Å; L533-L537 HydrophobicContact CD1-CD2 4.47Å; L533-L537 HydrophobicContact CD1-CG 4.08Å; L533-L537 HydrophobicContact CG-CD1 4.04Å; L533-L537 HydrophobicContact CG-CG 4.5Å; L533-L537 WeakPolarHBondContact O-CG 3.25Å; L533-L537 PolarHBondContact O-N 3.11Å; L537-A539 PolarHBondContact O-N 3.01Å; L537-K540 WeakPolarHBondContact O-CB 3.43Å; L537-K540 PolarHBondContact O-N 3.01Å
538A94.2Very high95.1Very high60 Ų6046.8 Ų46.850%0.49624%0.238SC..Hα-helixtrans-62.4-28.7173.300000112.9Y346 D534 K535Y346-A538 HydrophobicContact CD1-CB 4.04Å; Y346-A538 HydrophobicContact CE1-CB 4.36Å; Y346-A538 WeakPolarHBondContact CE1-O 3.44Å; D534-A538 VanDerWaalsContact O-CB 3.32Å; D534-A538 WeakPolarHBondContact O-CB 3.1Å; D534-A538 PolarHBondContact O-N 2.86Å; K535-A538 PolarHBondContact O-N 2.89Å
539A94.9Very high95.1Very high13 Ų1346.2 Ų46.211%0.10724%0.235CC..Hα-helixtrans-90.2-5178.200000114.2K342 Y346 I348 K535 M536 L537 N541 Y542K342-A539 HydrophobicContact CG-CB 4.49Å; Y346-A539 HydrophobicContact CD1-CB 4.29Å; Y346-A539 HydrophobicContact CD2-CB 3.94Å; Y346-A539 HydrophobicContact CE2-CB 4.39Å; Y346-A539 HydrophobicContact CG-CB 3.89Å; I348-A539 HydrophobicContact CG2-CB 4.16Å; K535-A539 WeakPolarHBondContact O-CB 3.34Å; K535-A539 PolarHBondContact O-N 3.41Å; M536-A539 CarbonylContact O-C 3.44Å; M536-A539 PolarHBondContact O-N 3.01Å; M536-A539 VanDerWaalsContact O-N 3.12Å; L537-A539 PolarHBondContact O-N 3.01Å; A539-N541 VanDerWaalsContact C-N 3.26Å; A539-N541 PolarHBondContact O-N 3.1Å; A539-N541 VanDerWaalsContact O-N 3.14Å; A539-Y542 WeakPolarHBondContact O-CB 3.33Å; A539-Y542 PolarHBondContact O-N 2.85Å
540K93.7Very high95Very high64 Ų6448 Ų4828%0.27824%0.235SC..THydrogen-bonded Turntrans-47.8-46.5-176179.7-178.5176.7-179.20112.9W510 M536 L537W510-K540 HydrophobicContact CB-CD 4.38Å; W510-K540 HydrophobicContact CD2-CD 3.82Å; W510-K540 HydrophobicContact CD2-CG 3.84Å; W510-K540 HydrophobicContact CE3-CB 3.94Å; W510-K540 HydrophobicContact CE3-CD 3.89Å; W510-K540 HydrophobicContact CE3-CG 3.67Å; W510-K540 HydrophobicContact CG-CD 4.04Å; W510-K540 HydrophobicContact CH2-CB 4.24Å; W510-K540 HydrophobicContact CH2-CG 4.01Å; W510-K540 HydrophobicContact CZ2-CG 4.15Å; W510-K540 HydrophobicContact CZ3-CB 3.74Å; W510-K540 HydrophobicContact CZ3-CD 4.49Å; W510-K540 HydrophobicContact CZ3-CG 3.77Å; M536-K540 PolarHBondContact O-N 3.49Å; M536-K540 VanDerWaalsContact O-N 3.13Å; L537-K540 WeakPolarHBondContact O-CB 3.43Å; L537-K540 PolarHBondContact O-N 3.01Å
541N94.9Very high94.9Very high56 Ų5642.2 Ų42.230%0.29921%0.211SC..THydrogen-bonded Turntrans-97.517-175.9-65.9-18.1000113.4A539 Q543 A544 H665 G667A539-N541 VanDerWaalsContact C-N 3.26Å; A539-N541 PolarHBondContact O-N 3.1Å; A539-N541 VanDerWaalsContact O-N 3.14Å; N541-Q543 PolarHBondContact O-N 3.44Å; N541-A544 HydrophobicContact CB-CB 4.23Å; N541-A544 WeakPolarHBondContact O-CB 3.09Å; N541-A544 PolarHBondContact O-N 3.35Å; N541-H665 PolarHBondContact ND2-O 2.99Å; N541-H665 PolarHBondContact OD1-O 3.1Å; N541-G667 PolarHBondContact ND2-N 2.81Å
542Y95.6Very high94.9Very high38 Ų3836.1 Ų36.115%0.14918%0.182CC..THydrogen-bonded Turntrans-62.8120.3174.8174.5-108.9000110.2S338 Q341 K342 L345 Y346 A539 A544S338-Y542 WeakPolarHBondContact CA-OH 3.4Å; S338-Y542 WeakPolarHBondContact O-CE1 3.37Å; S338-Y542 PolarHBondContact O-OH 3.07Å; Q341-Y542 VanDerWaalsContact CB-OH 3.28Å; Q341-Y542 WeakPolarHBondContact CB-OH 3.43Å; Q341-Y542 HydrophobicContact CG-CE2 4.09Å; Q341-Y542 WeakPolarHBondContact CG-OH 3.44Å; Q341-Y542 PolarHBondContact OE1-OH 3.26Å; K342-Y542 HydrophobicContact CB-CD1 3.95Å; K342-Y542 HydrophobicContact CB-CE1 3.65Å; K342-Y542 HydrophobicContact CD-CD1 3.95Å; K342-Y542 HydrophobicContact CD-CE1 4.35Å; K342-Y542 HydrophobicContact CG-CD1 3.92Å; K342-Y542 HydrophobicContact CG-CE1 4.15Å; K342-Y542 HydrophobicContact CG-CG 4.3Å; L345-Y542 HydrophobicContact CD1-CE2 4.24Å; Y346-Y542 AromaticContact CE2-CD2 3.75Å; Y346-Y542 HydrophobicContact CE2-CD2 3.75Å; Y346-Y542 HydrophobicContact CE2-CG 4.13Å; A539-Y542 WeakPolarHBondContact O-CB 3.33Å; A539-Y542 PolarHBondContact O-N 2.85Å; Y542-A544 PolarHBondContact O-N 2.74Å; Y542-A544 VanDerWaalsContact O-N 3.14Å
543Q96Very high94.8Very high28 Ų2835.3 Ų35.313%0.13118%0.177CC..THydrogen-bonded Turntrans56.424.1-177.9-62.3-173.9-4.700114.7E312 S338 N541 A545 L546 F547E312-Q543 WeakPolarHBondContact OE2-CA 3.28Å; S338-Q543 PolarHBondContact OG-NE2 3.27Å; S338-Q543 PolarHBondContact OG-OE1 3.14Å; S338-Q543 VanDerWaalsContact OG-OE1 3.09Å; N541-Q543 PolarHBondContact O-N 3.44Å; Q543-A545 VanDerWaalsContact C-N 3.26Å; Q543-A545 PolarHBondContact O-N 3.35Å; Q543-L546 HydrophobicContact CB-CB 4.33Å; Q543-L546 HydrophobicContact CB-CD1 4.21Å; Q543-L546 HydrophobicContact CG-CD1 4.1Å; Q543-L546 WeakPolarHBondContact O-CB 3.24Å; Q543-L546 PolarHBondContact O-N 3.32Å; Q543-L546 VanDerWaalsContact O-N 3.14Å; Q543-F547 PolarHBondContact O-N 3.05Å
544A95.9Very high94.7Very high6 Ų635.7 Ų35.75%0.0518%0.178CC..Hα-helixtrans-59.3-35.6179.700000112.5N541 Y542 F547 I548 Y666N541-A544 HydrophobicContact CB-CB 4.23Å; N541-A544 WeakPolarHBondContact O-CB 3.09Å; N541-A544 PolarHBondContact O-N 3.35Å; Y542-A544 PolarHBondContact O-N 2.74Å; Y542-A544 VanDerWaalsContact O-N 3.14Å; A544-F547 WeakPolarHBondContact O-CB 3.32Å; A544-F547 PolarHBondContact O-N 3.41Å; A544-I548 WeakPolarHBondContact O-CG1 3.5Å; A544-I548 PolarHBondContact O-N 3.2Å; A544-Y666 HydrophobicContact CB-CD1 4.09Å; A544-Y666 WeakPolarHBondContact CB-O 3.36Å
545A96.3Very high94.6Very high0 Ų032 Ų320%016%0.158CC..Hα-helixtrans-70.8-36.7177.500000111.9Q308 E312 Q543 F547 I548 L549Q308-A545 HydrophobicContact CB-CB 3.78Å; Q308-A545 HydrophobicContact CG-CB 3.69Å; E312-A545 PolarHBondContact OE1-N 3.22Å; E312-A545 WeakPolarHBondContact OE2-CB 3.47Å; E312-A545 PolarHBondContact OE2-N 2.58Å; Q543-A545 VanDerWaalsContact C-N 3.26Å; Q543-A545 PolarHBondContact O-N 3.35Å; A545-F547 VanDerWaalsContact C-N 3.34Å; A545-I548 PolarHBondContact O-N 2.93Å; A545-L549 WeakPolarHBondContact O-CB 3.46Å; A545-L549 WeakPolarHBondContact O-CD1 3.44Å; A545-L549 WeakPolarHBondContact O-CG 3.45Å; A545-L549 PolarHBondContact O-N 3.17Å
546L95.2Very high94.4Very high21 Ų2129.7 Ų29.711%0.1115%0.148CC..Hα-helixtrans-61.5-41.1170.3-72.6175.8000112.4G309 E312 L313 Q543 L549 R550 V576 V577G309-L546 WeakPolarHBondContact O-CD2 3.32Å; E312-L546 HydrophobicContact CB-CD1 3.94Å; E312-L546 HydrophobicContact CB-CG 4.03Å; E312-L546 PolarHBondContact OE2-N 2.86Å; L313-L546 HydrophobicContact CB-CD1 4.42Å; L313-L546 HydrophobicContact CB-CD2 4.21Å; Q543-L546 HydrophobicContact CB-CB 4.33Å; Q543-L546 HydrophobicContact CB-CD1 4.21Å; Q543-L546 HydrophobicContact CG-CD1 4.1Å; Q543-L546 WeakPolarHBondContact O-CB 3.24Å; Q543-L546 PolarHBondContact O-N 3.32Å; Q543-L546 VanDerWaalsContact O-N 3.14Å; L546-L549 PolarHBondContact O-N 3.42Å; L546-R550 PolarHBondContact O-N 3.23Å; L546-V576 HydrophobicContact CD2-CB 4.44Å; L546-V576 HydrophobicContact CD2-CG1 4.19Å; L546-V577 HydrophobicContact CD2-CG2 4.37Å
547F94.5Very high94.2Very high105 Ų10529.8 Ų29.846%0.46115%0.149SC..Hα-helixtrans-59.8-51.2173.8171.6-99.5000111.5Q543 A544 A545 L549 R550 Q551 Y666Q543-F547 PolarHBondContact O-N 3.05Å; A544-F547 WeakPolarHBondContact O-CB 3.32Å; A544-F547 PolarHBondContact O-N 3.41Å; A545-F547 VanDerWaalsContact C-N 3.34Å; F547-L549 PolarHBondContact O-N 3.4Å; F547-R550 WeakPolarHBondContact O-CB 3.43Å; F547-R550 PolarHBondContact O-N 3.27Å; F547-Q551 HydrophobicContact CE1-CG 4.06Å; F547-Q551 HydrophobicContact CE2-CG 4.33Å; F547-Q551 HydrophobicContact CZ-CG 3.96Å; F547-Q551 PolarHBondContact O-N 3.2Å; F547-Y666 HydrophobicContact CD1-CE1 4.03Å; F547-Y666 HydrophobicContact CE1-CE1 4.08Å
548I95Very high94.1Very high0 Ų027.2 Ų27.20%014%0.135CC..Hα-helixtrans-60.2-43.5178.2-71.5-65.5000111.7A305 A544 A545 R550 Q551 L552 L605 Y666 I668A305-I548 HydrophobicContact CB-CG2 3.92Å; A544-I548 WeakPolarHBondContact O-CG1 3.5Å; A544-I548 PolarHBondContact O-N 3.2Å; A545-I548 PolarHBondContact O-N 2.93Å; I548-R550 PolarHBondContact O-N 3.15Å; I548-Q551 PolarHBondContact O-N 3.27Å; I548-Q551 VanDerWaalsContact O-N 3.14Å; I548-L552 HydrophobicContact CG2-CD1 3.73Å; I548-L552 HydrophobicContact CG2-CG 4.21Å; I548-L552 WeakPolarHBondContact O-CB 3.4Å; I548-L552 VanDerWaalsContact O-CG 3.27Å; I548-L552 WeakPolarHBondContact O-CG 3.21Å; I548-L552 PolarHBondContact O-N 3.21Å; I548-L605 HydrophobicContact CD1-CD2 3.67Å; I548-Y666 HydrophobicContact CD1-CD1 4.11Å; I548-Y666 HydrophobicContact CD1-CD2 3.88Å; I548-Y666 HydrophobicContact CD1-CE1 3.84Å; I548-Y666 HydrophobicContact CD1-CE2 3.64Å; I548-Y666 HydrophobicContact CD1-CG 4.13Å; I548-Y666 HydrophobicContact CG1-CD1 3.98Å; I548-Y666 HydrophobicContact CG1-CD2 4.2Å; I548-Y666 HydrophobicContact CG1-CE1 4.15Å; I548-Y666 HydrophobicContact CG1-CE2 4.41Å; I548-Y666 HydrophobicContact CG1-CG 4Å; I548-I668 HydrophobicContact CG1-CD1 4.19Å; I548-I668 HydrophobicContact CG2-CD1 4.42Å
549L94.4Very high93.9Very high5 Ų524.3 Ų24.33%0.02611%0.112CC..Hα-helixtrans-61.1-33.5176.4-72.2165.8000112.4A305 R306 A545 L546 F547 L552 E553 V574 V576A305-L549 HydrophobicContact CB-CD2 4.28Å; A305-L549 HydrophobicContact CB-CG 4.3Å; R306-L549 HydrophobicContact CB-CD2 4.12Å; A545-L549 WeakPolarHBondContact O-CB 3.46Å; A545-L549 WeakPolarHBondContact O-CD1 3.44Å; A545-L549 WeakPolarHBondContact O-CG 3.45Å; A545-L549 PolarHBondContact O-N 3.17Å; L546-L549 PolarHBondContact O-N 3.42Å; F547-L549 PolarHBondContact O-N 3.4Å; L549-L552 HydrophobicContact CD2-CD1 4.35Å; L549-L552 PolarHBondContact O-N 3.08Å; L549-E553 PolarHBondContact O-N 2.97Å; L549-V574 HydrophobicContact CD2-CB 4.48Å; L549-V576 HydrophobicContact CD1-CB 4.33Å; L549-V576 HydrophobicContact CD1-CG2 3.72Å
550R93.3Very high93.5Very high89 Ų8925.1 Ų25.134%0.33611%0.112SC..Hα-helixtrans-68.3-42.9173.9-176.755.7173.51673.2111.9L546 F547 I548 L552 E553 F554L546-R550 PolarHBondContact O-N 3.23Å; F547-R550 WeakPolarHBondContact O-CB 3.43Å; F547-R550 PolarHBondContact O-N 3.27Å; I548-R550 PolarHBondContact O-N 3.15Å; R550-L552 VanDerWaalsContact C-N 3.31Å; R550-L552 PolarHBondContact O-N 3.22Å; R550-E553 IonicContact CZ-OE2 2.76Å; R550-E553 IonicContact NH1-OE1 3.57Å; R550-E553 PolarHBondContact NH1-OE1 3.34Å; R550-E553 IonicContact NH1-OE2 3.72Å; R550-E553 PolarHBondContact NH1-OE2 3.43Å; R550-E553 WeakPolarHBondContact O-CB 3.23Å; R550-E553 PolarHBondContact O-N 3.48Å; R550-F554 HydrophobicContact CG-CE2 4.05Å; R550-F554 HydrophobicContact CG-CZ 4.3Å; R550-F554 PolarHBondContact O-N 3.1Å; R550-F554 VanDerWaalsContact O-N 3.11Å
551Q95.1Very high93.1Very high34 Ų3424.2 Ų24.216%0.15911%0.11CC..Hα-helixtrans-63.1-39.1174-62-55.7-27.400111.7F547 I548 F554 G555 Y601 L605F547-Q551 HydrophobicContact CE1-CG 4.06Å; F547-Q551 HydrophobicContact CE2-CG 4.33Å; F547-Q551 HydrophobicContact CZ-CG 3.96Å; F547-Q551 PolarHBondContact O-N 3.2Å; I548-Q551 PolarHBondContact O-N 3.27Å; I548-Q551 VanDerWaalsContact O-N 3.14Å; Q551-F554 PolarHBondContact O-N 3.09Å; Q551-G555 PolarHBondContact O-N 2.86Å; Q551-Y601 PolarHBondContact OE1-OH 3.49Å; Q551-Y601 VanDerWaalsContact OE1-OH 3.1Å; Q551-L605 HydrophobicContact CB-CD1 4.13Å; Q551-L605 HydrophobicContact CB-CD2 4.18Å; Q551-L605 HydrophobicContact CB-CG 4.25Å
552L94.6Very high92.5Very high0 Ų022 Ų220%010%0.097CC..Hα-helixtrans-65.4-36.1173.9-69.9167.3000112.4L298 L301 A302 I548 L549 R550 F554 G555 L556 V574 L605L298-L552 HydrophobicContact CB-CD2 4.31Å; L298-L552 HydrophobicContact CD2-CD2 3.77Å; L298-L552 WeakPolarHBondContact O-CD2 3.19Å; L301-L552 HydrophobicContact CB-CD1 4.18Å; L301-L552 HydrophobicContact CB-CD2 3.87Å; L301-L552 HydrophobicContact CD1-CD2 4.4Å; A302-L552 HydrophobicContact CB-CD1 4.06Å; I548-L552 HydrophobicContact CG2-CD1 3.73Å; I548-L552 HydrophobicContact CG2-CG 4.21Å; I548-L552 WeakPolarHBondContact O-CB 3.4Å; I548-L552 VanDerWaalsContact O-CG 3.27Å; I548-L552 WeakPolarHBondContact O-CG 3.21Å; I548-L552 PolarHBondContact O-N 3.21Å; L549-L552 HydrophobicContact CD2-CD1 4.35Å; L549-L552 PolarHBondContact O-N 3.08Å; R550-L552 VanDerWaalsContact C-N 3.31Å; R550-L552 PolarHBondContact O-N 3.22Å; L552-F554 VanDerWaalsContact C-N 3.35Å; L552-G555 PolarHBondContact O-N 3.3Å; L552-L556 VanDerWaalsContact O-CB 3.24Å; L552-L556 WeakPolarHBondContact O-CB 3.05Å; L552-L556 VanDerWaalsContact O-CG 3.3Å; L552-L556 WeakPolarHBondContact O-CG 3.43Å; L552-L556 PolarHBondContact O-N 2.8Å; L552-V574 HydrophobicContact CB-CG1 3.97Å; L552-L605 HydrophobicContact CD2-CD1 3.44Å; L552-L605 VanDerWaalsContact CD2-CD1 3.44Å; L552-L605 HydrophobicContact CG-CD1 3.74Å
553E91.7Very high91.4Very high11 Ų1122.3 Ų22.35%0.05110%0.101CC..Hα-helixtrans-60.5-44.9171.7-170.7-175.7177.300111.4L549 R550 F557 V574L549-E553 PolarHBondContact O-N 2.97Å; R550-E553 IonicContact CZ-OE2 2.76Å; R550-E553 IonicContact NH1-OE1 3.57Å; R550-E553 PolarHBondContact NH1-OE1 3.34Å; R550-E553 IonicContact NH1-OE2 3.72Å; R550-E553 PolarHBondContact NH1-OE2 3.43Å; R550-E553 WeakPolarHBondContact O-CB 3.23Å; R550-E553 PolarHBondContact O-N 3.48Å; E553-F557 WeakPolarHBondContact O-CB 3.32Å; E553-F557 PolarHBondContact O-N 3Å; E553-V574 HydrophobicContact CB-CG2 3.76Å; E553-V574 HydrophobicContact CG-CG2 4.11Å
554F92.5Very high89.7Confident31 Ų3127.9 Ų27.914%0.13613%0.131CC..Hα-helixtrans-64.8-46.7175.9-67-32.7000112.9R550 Q551 L552 F557 D558 F585 F589 Y601R550-F554 HydrophobicContact CG-CE2 4.05Å; R550-F554 HydrophobicContact CG-CZ 4.3Å; R550-F554 PolarHBondContact O-N 3.1Å; R550-F554 VanDerWaalsContact O-N 3.11Å; Q551-F554 PolarHBondContact O-N 3.09Å; L552-F554 VanDerWaalsContact C-N 3.35Å; F554-F557 PolarHBondContact O-N 3.42Å; F554-D558 WeakPolarHBondContact O-CB 3.07Å; F554-D558 PolarHBondContact O-N 3.29Å; F554-F585 HydrophobicContact CD1-CD2 4.24Å; F554-F585 AromaticContact CD1-CE2 3.72Å; F554-F585 HydrophobicContact CD1-CE2 3.72Å; F554-F585 HydrophobicContact CD1-CZ 4.32Å; F554-F585 AromaticContact CE1-CD2 3.72Å; F554-F585 HydrophobicContact CE1-CD2 3.72Å; F554-F585 AromaticContact CE1-CE2 3.68Å; F554-F585 HydrophobicContact CE1-CE2 3.68Å; F554-F585 HydrophobicContact CE1-CG 4.49Å; F554-F585 HydrophobicContact CE1-CZ 4.41Å; F554-F589 HydrophobicContact CB-CE1 4.15Å; F554-F589 HydrophobicContact CB-CZ 3.85Å; F554-F589 HydrophobicContact CD1-CE1 4.12Å; F554-F589 HydrophobicContact CD1-CZ 4.17Å; F554-F589 HydrophobicContact CG-CE1 4.33Å; F554-F589 HydrophobicContact CG-CZ 4Å; F554-Y601 HydrophobicContact CB-CD1 3.6Å; F554-Y601 HydrophobicContact CB-CE1 3.23Å; F554-Y601 HydrophobicContact CB-CG 4.44Å; F554-Y601 AromaticContact CD2-CE1 3.98Å; F554-Y601 HydrophobicContact CD2-CE1 3.98Å; F554-Y601 AromaticContact CD2-CZ 3.94Å; F554-Y601 WeakPolarHBondContact CD2-OH 3.47Å; F554-Y601 HydrophobicContact CG-CE1 4.07Å
555G93.9Very high87.9Confident1 Ų131 Ų311%0.0115%0.145CC..Hα-helixtrans-62.5-47.3178.900000112.7Q551 L552 F559Q551-G555 PolarHBondContact O-N 2.86Å; L552-G555 PolarHBondContact O-N 3.3Å; G555-F559 VanDerWaalsContact O-CB 3.27Å; G555-F559 WeakPolarHBondContact O-CB 3.4Å; G555-F559 PolarHBondContact O-N 2.93Å
556L91.8Very high86.2Confident0 Ų034.8 Ų34.80%017%0.168CC..Hα-helixtrans-68.1-37.1176.9-72.1168.7000112L295 L298 L552 R560 I570 V574L295-L556 HydrophobicContact CD2-CD2 4.35Å; L298-L556 HydrophobicContact CB-CD2 3.8Å; L298-L556 HydrophobicContact CB-CG 4.2Å; L298-L556 HydrophobicContact CD1-CD2 3.89Å; L298-L556 HydrophobicContact CD1-CG 4.19Å; L552-L556 VanDerWaalsContact O-CB 3.24Å; L552-L556 WeakPolarHBondContact O-CB 3.05Å; L552-L556 VanDerWaalsContact O-CG 3.3Å; L552-L556 WeakPolarHBondContact O-CG 3.43Å; L552-L556 PolarHBondContact O-N 2.8Å; L556-R560 WeakPolarHBondContact O-CB 3.4Å; L556-R560 WeakPolarHBondContact O-CG 3.47Å; L556-R560 PolarHBondContact O-N 3.31Å; L556-I570 HydrophobicContact CB-CG1 4.42Å; L556-I570 HydrophobicContact CB-CG2 3.82Å; L556-V574 HydrophobicContact CD1-CB 4.5Å; L556-V574 HydrophobicContact CD1-CG1 3.51Å; L556-V574 HydrophobicContact CD1-CG2 4.14Å
557F90.1Very high84.6Confident9 Ų937.1 Ų37.14%0.03918%0.18CC..Hα-helixtrans-60.3-57.9175173-105.4000111.4E553 F554 F559 R560 L561 L567 I570 F585 P586 F589E553-F557 WeakPolarHBondContact O-CB 3.32Å; E553-F557 PolarHBondContact O-N 3Å; F554-F557 PolarHBondContact O-N 3.42Å; F557-F559 PolarHBondContact O-N 2.87Å; F557-R560 PolarHBondContact O-N 3.36Å; F557-L561 HydrophobicContact CD1-CD1 3.99Å; F557-L561 HydrophobicContact CD2-CD1 4.4Å; F557-L561 HydrophobicContact CD2-CG 4.21Å; F557-L561 HydrophobicContact CE1-CD1 3.44Å; F557-L561 VanDerWaalsContact CE1-CD1 3.44Å; F557-L561 HydrophobicContact CE1-CG 4.26Å; F557-L561 HydrophobicContact CE2-CD1 3.92Å; F557-L561 HydrophobicContact CE2-CD2 3.88Å; F557-L561 HydrophobicContact CE2-CG 3.89Å; F557-L561 HydrophobicContact CG-CD1 4.45Å; F557-L561 HydrophobicContact CZ-CD1 3.41Å; F557-L561 VanDerWaalsContact CZ-CD1 3.41Å; F557-L561 HydrophobicContact CZ-CD2 4.06Å; F557-L561 HydrophobicContact CZ-CG 3.94Å; F557-L561 WeakPolarHBondContact O-CB 3.37Å; F557-L561 VanDerWaalsContact O-CG 3.24Å; F557-L561 WeakPolarHBondContact O-CG 3.16Å; F557-L561 PolarHBondContact O-N 2.86Å; F557-L567 HydrophobicContact CD2-CD1 3.49Å; F557-L567 VanDerWaalsContact CD2-CD1 3.49Å; F557-L567 HydrophobicContact CE2-CD1 3.79Å; F557-I570 HydrophobicContact CB-CD1 4.48Å; F557-I570 HydrophobicContact CD2-CD1 4.35Å; F557-F585 HydrophobicContact CB-CZ 4.47Å; F557-F585 AromaticContact CD1-CE2 3.98Å; F557-F585 HydrophobicContact CD1-CE2 3.98Å; F557-F585 AromaticContact CD1-CZ 3.79Å; F557-F585 HydrophobicContact CD1-CZ 3.79Å; F557-F585 HydrophobicContact CD2-CZ 4.29Å; F557-F585 HydrophobicContact CE1-CE2 4.12Å; F557-F585 HydrophobicContact CE1-CZ 4.02Å; F557-F585 HydrophobicContact CE2-CZ 4.49Å; F557-F585 AromaticContact CG-CZ 3.91Å; F557-F585 HydrophobicContact CG-CZ 3.91Å; F557-F585 HydrophobicContact CZ-CZ 4.35Å; F557-P586 HydrophobicContact CE1-CB 3.87Å; F557-P586 HydrophobicContact CE1-CG 3.86Å; F557-P586 HydrophobicContact CE2-CG 4.1Å; F557-P586 HydrophobicContact CZ-CB 3.58Å; F557-P586 HydrophobicContact CZ-CG 3.38Å; F557-F589 HydrophobicContact CD1-CD1 4.21Å; F557-F589 HydrophobicContact CD1-CE1 4.26Å; F557-F589 HydrophobicContact CE1-CD1 4.27Å
558D92.6Very high83.2Confident0 Ų035 Ų350%018%0.182CC..Hα-helixtrans-52.6-53.7177.8167.750.4000111.2F554 R560 L561 H562 I592 Y597 A599 G600 Y601F554-D558 WeakPolarHBondContact O-CB 3.07Å; F554-D558 PolarHBondContact O-N 3.29Å; D558-R560 PolarHBondContact O-N 2.9Å; D558-L561 PolarHBondContact O-N 3.4Å; D558-H562 PolarHBondContact O-CD2 2.86Å; D558-H562 IonicContact OD1-NE2 3.7Å; D558-I592 HydrophobicContact CB-CD1 3.71Å; D558-I592 HydrophobicContact CB-CG1 4.12Å; D558-I592 VanDerWaalsContact CG-CD1 3.44Å; D558-I592 WeakPolarHBondContact OD1-CD1 3.42Å; D558-I592 WeakPolarHBondContact OD1-CG2 3.17Å; D558-Y597 VanDerWaalsContact OD2-O 3.14Å; D558-A599 VanDerWaalsContact CG-N 3.34Å; D558-A599 PolarHBondContact OD1-N 2.88Å; D558-A599 VanDerWaalsContact OD2-CA 3.26Å; D558-A599 WeakPolarHBondContact OD2-CA 3.17Å; D558-A599 PolarHBondContact OD2-N 3.36Å; D558-A599 VanDerWaalsContact OD2-N 3.1Å; D558-G600 PolarHBondContact OD2-N 3.21Å; D558-Y601 WeakPolarHBondContact OD2-CB 3.5Å; D558-Y601 PolarHBondContact OD2-N 2.88Å
559F89Confident81.8Confident0 Ų039.1 Ų39.10%020%0.201CC..Hα-helixtrans-67.8-39.5-171.5-149-104.4000112.8A279 L283 P291 V294 L295 G555 F557 H562 I563 A599 Y602A279-F559 HydrophobicContact CB-CE1 4.21Å; A279-F559 HydrophobicContact CB-CE2 4.22Å; A279-F559 HydrophobicContact CB-CZ 3.93Å; L283-F559 HydrophobicContact CD1-CZ 4.16Å; L283-F559 HydrophobicContact CD2-CE2 4.33Å; L283-F559 HydrophobicContact CD2-CZ 4.42Å; L283-F559 HydrophobicContact CG-CZ 4.39Å; P291-F559 HydrophobicContact CB-CE1 3.73Å; P291-F559 HydrophobicContact CB-CZ 4.09Å; V294-F559 HydrophobicContact CB-CD1 4.38Å; V294-F559 HydrophobicContact CB-CE1 3.75Å; V294-F559 HydrophobicContact CB-CE2 4.22Å; V294-F559 HydrophobicContact CB-CZ 3.67Å; V294-F559 HydrophobicContact CG1-CD1 4.03Å; V294-F559 HydrophobicContact CG1-CD2 4.01Å; V294-F559 HydrophobicContact CG1-CE1 3.85Å; V294-F559 HydrophobicContact CG1-CE2 3.87Å; V294-F559 HydrophobicContact CG1-CG 4.1Å; V294-F559 HydrophobicContact CG1-CZ 3.78Å; V294-F559 HydrophobicContact CG2-CE1 4.36Å; V294-F559 HydrophobicContact CG2-CE2 4.2Å; V294-F559 HydrophobicContact CG2-CZ 3.78Å; L295-F559 HydrophobicContact CD2-CD1 4.01Å; L295-F559 HydrophobicContact CG-CD1 4.2Å; L295-F559 HydrophobicContact CG-CE1 4.38Å; G555-F559 VanDerWaalsContact O-CB 3.27Å; G555-F559 WeakPolarHBondContact O-CB 3.4Å; G555-F559 PolarHBondContact O-N 2.93Å; F557-F559 PolarHBondContact O-N 2.87Å; F559-H562 PolarHBondContact O-N 3.26Å; F559-I563 HydrophobicContact CD1-CD1 3.9Å; F559-I563 HydrophobicContact CE1-CD1 4.06Å; F559-A599 HydrophobicContact CD2-CB 4.22Å; F559-A599 HydrophobicContact CE2-CB 4.31Å; F559-A599 WeakPolarHBondContact CE2-O 3.4Å; F559-Y602 HydrophobicContact CD2-CD1 4.01Å; F559-Y602 HydrophobicContact CD2-CE1 4.42Å; F559-Y602 AromaticContact CE2-CD1 3.97Å; F559-Y602 HydrophobicContact CE2-CD1 3.97Å; F559-Y602 AromaticContact CE2-CE1 3.94Å; F559-Y602 HydrophobicContact CE2-CE1 3.94Å
560R87Confident80.6Confident30 Ų3039 Ų3911%0.11320%0.2CC..Hα-helixtrans-80.7-22.9-178.4-67.7178171.9-113.4-6.5113.8L295 L556 F557 D558 H562 I563 L564 E565 I570L295-R560 HydrophobicContact CD2-CG 4.1Å; L556-R560 WeakPolarHBondContact O-CB 3.4Å; L556-R560 WeakPolarHBondContact O-CG 3.47Å; L556-R560 PolarHBondContact O-N 3.31Å; F557-R560 PolarHBondContact O-N 3.36Å; D558-R560 PolarHBondContact O-N 2.9Å; R560-H562 PolarHBondContact O-N 3.14Å; R560-H562 VanDerWaalsContact O-N 3.1Å; R560-I563 PolarHBondContact O-N 2.91Å; R560-L564 PolarHBondContact O-N 3.24Å; R560-E565 HydrophobicContact CB-CB 4.38Å; R560-E565 WeakPolarHBondContact CD-OE2 3.48Å; R560-E565 WeakPolarHBondContact CG-OE2 3.37Å; R560-E565 IonicContact CZ-OE1 3.31Å; R560-E565 IonicContact CZ-OE2 3.45Å; R560-E565 IonicContact NE-OE2 3.15Å; R560-E565 PolarHBondContact NE-OE2 2.92Å; R560-E565 IonicContact NH1-OE1 3.05Å; R560-E565 PolarHBondContact NH1-OE1 2.92Å; R560-E565 IonicContact NH1-OE2 3.55Å; R560-E565 PolarHBondContact NH1-OE2 2.86Å; R560-I570 HydrophobicContact CB-CD1 3.99Å; R560-I570 HydrophobicContact CB-CG1 4.2Å; R560-I570 HydrophobicContact CG-CG1 4.44Å
561L85.5Confident79.5Confident45 Ų4537.8 Ų37.824%0.23620%0.198CC..Hα-helixtrans-52.7-31.3168.8-83.9177.4000111.8L263 F557 D558 F593L263-L561 HydrophobicContact CD1-CD2 4.26Å; L263-L561 HydrophobicContact CD2-CB 4.28Å; L263-L561 HydrophobicContact CD2-CD1 4.49Å; F557-L561 HydrophobicContact CD1-CD1 3.99Å; F557-L561 HydrophobicContact CD2-CD1 4.4Å; F557-L561 HydrophobicContact CD2-CG 4.21Å; F557-L561 HydrophobicContact CE1-CD1 3.44Å; F557-L561 VanDerWaalsContact CE1-CD1 3.44Å; F557-L561 HydrophobicContact CE1-CG 4.26Å; F557-L561 HydrophobicContact CE2-CD1 3.92Å; F557-L561 HydrophobicContact CE2-CD2 3.88Å; F557-L561 HydrophobicContact CE2-CG 3.89Å; F557-L561 HydrophobicContact CG-CD1 4.45Å; F557-L561 HydrophobicContact CZ-CD1 3.41Å; F557-L561 VanDerWaalsContact CZ-CD1 3.41Å; F557-L561 HydrophobicContact CZ-CD2 4.06Å; F557-L561 HydrophobicContact CZ-CG 3.94Å; F557-L561 WeakPolarHBondContact O-CB 3.37Å; F557-L561 VanDerWaalsContact O-CG 3.24Å; F557-L561 WeakPolarHBondContact O-CG 3.16Å; F557-L561 PolarHBondContact O-N 2.86Å; D558-L561 PolarHBondContact O-N 3.4Å; L561-F593 HydrophobicContact CD1-CZ 4.1Å
562H82.5Confident78.3Confident8 Ų843.5 Ų43.54%0.03722%0.222CC..THydrogen-bonded Turntrans-89.4-7.8-178.8-64.5-60.5000114.4N277 Y278 A279 D558 F559 R560N277-H562 VanDerWaalsContact CB-O 3.26Å; N277-H562 WeakPolarHBondContact CB-O 3.11Å; Y278-H562 AromaticContact CD1-CE1 3.83Å; Y278-H562 AromaticContact CD1-ND1 3.88Å; A279-H562 HydrophobicContact CB-CB 4.4Å; D558-H562 PolarHBondContact O-CD2 2.86Å; D558-H562 IonicContact OD1-NE2 3.7Å; F559-H562 PolarHBondContact O-N 3.26Å; R560-H562 PolarHBondContact O-N 3.14Å; R560-H562 VanDerWaalsContact O-N 3.1Å
563I72.4Confident77.1Confident46 Ų4646.6 Ų46.624%0.23624%0.238CC..THydrogen-bonded Turntrans-109.90.3-177.2-54.9170.8000111.9A279 P291 L295 F559 R560A279-I563 HydrophobicContact CB-CD1 4.39Å; A279-I563 HydrophobicContact CB-CG1 4.25Å; P291-I563 HydrophobicContact CB-CD1 4.26Å; L295-I563 HydrophobicContact CD1-CD1 4.19Å; F559-I563 HydrophobicContact CD1-CD1 3.9Å; F559-I563 HydrophobicContact CE1-CD1 4.06Å; R560-I563 PolarHBondContact O-N 2.91Å
564L59.7Low76.4Confident145 Ų14546.2 Ų46.276%0.75924%0.237SC*.THydrogen-bonded Turntrans7427.8178.6-57.4170.4000116.5R560R560-L564 PolarHBondContact O-N 3.24Å
565E59.1Low75.7Confident71 Ų7146.1 Ų46.133%0.33224%0.242SC..  trans-94.1155.6169.5-68.9172.2138.600112.2R560R560-E565 HydrophobicContact CB-CB 4.38Å; R560-E565 WeakPolarHBondContact CD-OE2 3.48Å; R560-E565 WeakPolarHBondContact CG-OE2 3.37Å; R560-E565 IonicContact CZ-OE1 3.31Å; R560-E565 IonicContact CZ-OE2 3.45Å; R560-E565 IonicContact NE-OE2 3.15Å; R560-E565 PolarHBondContact NE-OE2 2.92Å; R560-E565 IonicContact NH1-OE1 3.05Å; R560-E565 PolarHBondContact NH1-OE1 2.92Å; R560-E565 IonicContact NH1-OE2 3.55Å; R560-E565 PolarHBondContact NH1-OE2 2.86Å
566T60.1Low74.9Confident80 Ų8047.2 Ų47.249%0.49125%0.248SC..  trans-83.1145.3-174.6610000112.1A568 E569T566-A568 PolarHBondContact O-N 2.98Å; T566-E569 PolarHBondContact N-OE2 3.23Å; T566-E569 WeakPolarHBondContact O-CB 2.94Å; T566-E569 PolarHBondContact O-N 3.17Å; T566-E569 PolarHBondContact OG1-OE2 3.44Å
567L62.6Low74.3Confident70 Ų7049.6 Ų49.637%0.36626%0.262SS..Hα-helixtrans-49.2-30.7170.5176.364.7000112.9F557 E569 I570 K571F557-L567 HydrophobicContact CD2-CD1 3.49Å; F557-L567 VanDerWaalsContact CD2-CD1 3.49Å; F557-L567 HydrophobicContact CE2-CD1 3.79Å; L567-E569 VanDerWaalsContact C-N 3.29Å; L567-E569 PolarHBondContact O-N 2.96Å; L567-I570 PolarHBondContact O-N 3.23Å; L567-K571 PolarHBondContact O-N 3.41Å
568A63.3Low73.6Confident60 Ų6052.3 Ų52.350%0.49628%0.281SS..Hα-helixtrans-65-29.217800000113.4T566 K572T566-A568 PolarHBondContact O-N 2.98Å; A568-K572 WeakPolarHBondContact O-CG 3.33Å
569E66.7Low73Confident87 Ų8754.5 Ų54.541%0.40730%0.297SS..Hα-helixtrans-78.2-41.6178.5-70.9164.4147.500111.4T566 L567 K571 K572T566-E569 PolarHBondContact N-OE2 3.23Å; T566-E569 WeakPolarHBondContact O-CB 2.94Å; T566-E569 PolarHBondContact O-N 3.17Å; T566-E569 PolarHBondContact OG1-OE2 3.44Å; L567-E569 VanDerWaalsContact C-N 3.29Å; L567-E569 PolarHBondContact O-N 2.96Å; E569-K571 VanDerWaalsContact C-N 3.34Å; E569-K571 PolarHBondContact O-N 2.92Å; E569-K572 PolarHBondContact O-N 3.01Å
570I68.9Low73Confident1 Ų155.5 Ų55.51%0.00530%0.303CS..Hα-helixtrans-56.2-48.7173.9-66.7144.1000110.7L556 F557 R560 L567 K572 L573 V574L556-I570 HydrophobicContact CB-CG1 4.42Å; L556-I570 HydrophobicContact CB-CG2 3.82Å; F557-I570 HydrophobicContact CB-CD1 4.48Å; F557-I570 HydrophobicContact CD2-CD1 4.35Å; R560-I570 HydrophobicContact CB-CD1 3.99Å; R560-I570 HydrophobicContact CB-CG1 4.2Å; R560-I570 HydrophobicContact CG-CG1 4.44Å; L567-I570 PolarHBondContact O-N 3.23Å; I570-K572 PolarHBondContact O-N 3.1Å; I570-L573 WeakPolarHBondContact O-CB 3.3Å; I570-L573 PolarHBondContact O-N 3.05Å; I570-V574 HydrophobicContact CG2-CG2 4.27Å; I570-V574 PolarHBondContact O-N 3.21Å
571K69.4Low73Confident65 Ų6559.6 Ų59.628%0.28334%0.336SS..Hα-helixtrans-58.7-33.5-178.2-75.4-171.8174.7-162.50113L567 E569 L573 A575 S579L567-K571 PolarHBondContact O-N 3.41Å; E569-K571 VanDerWaalsContact C-N 3.34Å; E569-K571 PolarHBondContact O-N 2.92Å; K571-L573 PolarHBondContact O-N 3.37Å; K571-A575 HydrophobicContact CB-CB 3.96Å; K571-A575 HydrophobicContact CG-CB 4.09Å; K571-A575 VanDerWaalsContact O-CB 3.26Å; K571-A575 WeakPolarHBondContact O-CB 3.07Å; K571-A575 PolarHBondContact O-N 3.3Å; K571-S579 PolarHBondContact NZ-OG 3.29Å
572K71.1Confident73.3Confident154 Ų15459.8 Ų59.867%0.6733%0.334SS*.Hα-helixtrans-65.8-26.5177.4-70.3174.6-174.8173.80113R306 A568 E569 I570R306-K572 PolarHBondContact NH1-O 3.08Å; A568-K572 WeakPolarHBondContact O-CG 3.33Å; E569-K572 PolarHBondContact O-N 3.01Å; I570-K572 PolarHBondContact O-N 3.1Å
573L69.8Low73.8Confident65 Ų6560.6 Ų60.634%0.3434%0.344SS..Hα-helixtrans-81.6-42.7-177.5-64.3173.9000112.1R306 I570 K571R306-L573 PolarHBondContact NH1-O 2.94Å; I570-L573 WeakPolarHBondContact O-CB 3.3Å; I570-L573 PolarHBondContact O-N 3.05Å; K571-L573 PolarHBondContact O-N 3.37Å
574V76Confident74.9Confident2 Ų260.9 Ų60.91%0.01234%0.342CS..Hα-helixtrans-129-22.1-165.9-660000115.9A302 L549 L552 E553 L556 I570 V576A302-V574 HydrophobicContact CB-CG1 3.72Å; L549-V574 HydrophobicContact CD2-CB 4.48Å; L552-V574 HydrophobicContact CB-CG1 3.97Å; E553-V574 HydrophobicContact CB-CG2 3.76Å; E553-V574 HydrophobicContact CG-CG2 4.11Å; L556-V574 HydrophobicContact CD1-CB 4.5Å; L556-V574 HydrophobicContact CD1-CG1 3.51Å; L556-V574 HydrophobicContact CD1-CG2 4.14Å; I570-V574 HydrophobicContact CG2-CG2 4.27Å; I570-V574 PolarHBondContact O-N 3.21Å; V574-V576 PolarHBondContact O-N 3.26Å
575A77.3Confident76.4Confident30 Ų3056.1 Ų56.125%0.24832%0.316CS..  trans-75.895.6-174.900000110.7K571K571-A575 HydrophobicContact CB-CB 3.96Å; K571-A575 HydrophobicContact CG-CB 4.09Å; K571-A575 VanDerWaalsContact O-CB 3.26Å; K571-A575 WeakPolarHBondContact O-CB 3.07Å; K571-A575 PolarHBondContact O-N 3.3Å
576V78.6Confident78Confident24 Ų2453.6 Ų53.615%0.14531%0.305CS..  trans-85.9-29.7173.2175.90000110.9R306 E310 L313 L546 L549 V574R306-V576 HydrophobicContact CG-CG2 4.38Å; E310-V576 HydrophobicContact CG-CG1 3.97Å; E310-V576 HydrophobicContact CG-CG2 3.89Å; L313-V576 HydrophobicContact CB-CG1 4.05Å; L313-V576 HydrophobicContact CD2-CG1 3.69Å; L313-V576 WeakPolarHBondContact CD2-O 3.34Å; L546-V576 HydrophobicContact CD2-CB 4.44Å; L546-V576 HydrophobicContact CD2-CG1 4.19Å; L549-V576 HydrophobicContact CD1-CB 4.33Å; L549-V576 HydrophobicContact CD1-CG2 3.72Å; V574-V576 PolarHBondContact O-N 3.26Å
577V79.2Confident79.8Confident49 Ų4950.5 Ų50.530%0.29729%0.285SS..SBendtrans-89.6130.4175.2170.60000110.7L313 I334 L546 S579L313-V577 HydrophobicContact CD1-CG2 4.46Å; L313-V577 HydrophobicContact CD2-CG2 4.27Å; I334-V577 HydrophobicContact CD1-CB 4.19Å; I334-V577 HydrophobicContact CD1-CG1 3.29Å; I334-V577 HydrophobicContact CD1-CG2 3.82Å; L546-V577 HydrophobicContact CD2-CG2 4.37Å; V577-S579 PolarHBondContact O-N 3.49Å
578P74.3Confident81.4Confident66 Ų6648.2 Ų48.243%0.42928%0.276SS..PPolyproline II helixtrans-59.1133.5172.7-21.932.7000111.7P331P331-P578 VanDerWaalsContact CG-O 3.28Å; P331-P578 WeakPolarHBondContact CG-O 3.48Å
579S80.6Confident83Confident47 Ų4746 Ų4633%0.32926%0.256SS..PPolyproline II helixtrans-99.9138.7166.8-240000110K571 V577K571-S579 PolarHBondContact NZ-OG 3.29Å; V577-S579 PolarHBondContact O-N 3.49Å
580P88.3Confident84.4Confident20 Ų2043.4 Ų43.413%0.1325%0.247CC..PPolyproline II helixtrans-62.2144.4171.3-13.726.5000111Y236 P331 W582 G583Y236-P580 HydrophobicContact CE1-CG 3.98Å; P331-P580 HydrophobicContact CB-CG 4.33Å; P331-P580 HydrophobicContact CG-CG 3.95Å; P580-W582 HydrophobicContact CB-CD2 3.6Å; P580-W582 HydrophobicContact CB-CE3 4.12Å; P580-W582 HydrophobicContact CB-CG 4.05Å; P580-W582 HydrophobicContact CB-CH2 4.14Å; P580-W582 HydrophobicContact CB-CZ2 3.63Å; P580-W582 HydrophobicContact CB-CZ3 4.34Å; P580-W582 HydrophobicContact CG-CD2 4.36Å; P580-W582 HydrophobicContact CG-CH2 3.87Å; P580-W582 HydrophobicContact CG-CZ2 3.67Å; P580-W582 HydrophobicContact CG-CZ3 4.26Å; P580-W582 PolarHBondContact O-N 3.14Å; P580-G583 PolarHBondContact O-N 2.96Å
581S87.4Confident85.6Confident116 Ų11646.6 Ų46.681%0.81126%0.262SS*.THydrogen-bonded Turntrans-62.2-25.8176.656.10000113.2R584S581-R584 PolarHBondContact O-NH1 3.47Å
582W92.7Very high86.9Confident49 Ų4943.5 Ų43.519%0.18625%0.248CC..THydrogen-bonded Turntrans-85.9-5.8175.253.4-106.2000113.4Y236 R237 T241 W332 P580Y236-W582 AromaticContact CD1-CH2 3.6Å; Y236-W582 HydrophobicContact CD1-CH2 3.6Å; Y236-W582 HydrophobicContact CD1-CZ3 4.36Å; Y236-W582 AromaticContact CE1-CH2 3.63Å; Y236-W582 HydrophobicContact CE1-CH2 3.63Å; Y236-W582 HydrophobicContact CE1-CZ2 4.47Å; Y236-W582 HydrophobicContact CE1-CZ3 4.21Å; R237-W582 HydrophobicContact CB-CH2 3.82Å; R237-W582 HydrophobicContact CB-CZ2 4.45Å; R237-W582 HydrophobicContact CB-CZ3 4.04Å; R237-W582 HydrophobicContact CG-CE3 4.12Å; R237-W582 HydrophobicContact CG-CH2 3.96Å; R237-W582 HydrophobicContact CG-CZ2 4.4Å; R237-W582 HydrophobicContact CG-CZ3 3.85Å; T241-W582 HydrophobicContact CG2-CE3 3.85Å; T241-W582 HydrophobicContact CG2-CZ3 4.22Å; T241-W582 WeakPolarHBondContact CG2-O 3.4Å; W332-W582 HydrophobicContact CE3-CZ2 4.35Å; W332-W582 AromaticContact CZ3-CZ2 3.83Å; W332-W582 HydrophobicContact CZ3-CZ2 3.83Å; P580-W582 HydrophobicContact CB-CD2 3.6Å; P580-W582 HydrophobicContact CB-CE3 4.12Å; P580-W582 HydrophobicContact CB-CG 4.05Å; P580-W582 HydrophobicContact CB-CH2 4.14Å; P580-W582 HydrophobicContact CB-CZ2 3.63Å; P580-W582 HydrophobicContact CB-CZ3 4.34Å; P580-W582 HydrophobicContact CG-CD2 4.36Å; P580-W582 HydrophobicContact CG-CH2 3.87Å; P580-W582 HydrophobicContact CG-CZ2 3.67Å; P580-W582 HydrophobicContact CG-CZ3 4.26Å; P580-W582 PolarHBondContact O-N 3.14Å
583G92.7Very high88.1Confident25 Ų2536.3 Ų36.326%0.25822%0.217SC..  trans-64.1137.9177.800000111.5P580P580-G583 PolarHBondContact O-N 2.96Å
584R94.8Very high89.3Confident52 Ų5234.8 Ų34.820%0.19621%0.214CC..  trans-133.741.5-175.1-65.2-64.1-172.2-87.8-2.6111.6S240 D245 Q246 S581 P586 H587S240-R584 CarbonylContact O-C 3.58Å; S240-R584 WeakPolarHBondContact O-CA 3.46Å; S240-R584 PolarHBondContact O-N 3.41Å; D245-R584 IonicContact OD1-CZ 2.66Å; D245-R584 IonicContact OD1-NE 3.12Å; D245-R584 PolarHBondContact OD1-NE 2.88Å; D245-R584 IonicContact OD1-NH2 3.21Å; D245-R584 IonicContact OD2-CZ 3.32Å; D245-R584 IonicContact OD2-NE 3.16Å; D245-R584 IonicContact OD2-NH2 2.89Å; D245-R584 PolarHBondContact OD2-NH2 3.4Å; Q246-R584 HydrophobicContact CB-CG 4.2Å; Q246-R584 HydrophobicContact CG-CG 4.05Å; Q246-R584 VanDerWaalsContact CG-NH2 3.34Å; S581-R584 PolarHBondContact O-NH1 3.47Å; R584-P586 VanDerWaalsContact O-N 3.1Å; R584-H587 HydrophobicContact CB-CB 4.28Å; R584-H587 VanDerWaalsContact O-CB 3.32Å; R584-H587 WeakPolarHBondContact O-CB 3.34Å; R584-H587 PolarHBondContact O-N 2.84Å
585F91.2Very high90Very high45 Ų4536.4 Ų36.420%0.19723%0.231CC..G310 helixtrans-51.1-35.5179.391.5-95.7000114.1F554 F557 H587 A588 F589F554-F585 HydrophobicContact CD1-CD2 4.24Å; F554-F585 AromaticContact CD1-CE2 3.72Å; F554-F585 HydrophobicContact CD1-CE2 3.72Å; F554-F585 HydrophobicContact CD1-CZ 4.32Å; F554-F585 AromaticContact CE1-CD2 3.72Å; F554-F585 HydrophobicContact CE1-CD2 3.72Å; F554-F585 AromaticContact CE1-CE2 3.68Å; F554-F585 HydrophobicContact CE1-CE2 3.68Å; F554-F585 HydrophobicContact CE1-CG 4.49Å; F554-F585 HydrophobicContact CE1-CZ 4.41Å; F557-F585 HydrophobicContact CB-CZ 4.47Å; F557-F585 AromaticContact CD1-CE2 3.98Å; F557-F585 HydrophobicContact CD1-CE2 3.98Å; F557-F585 AromaticContact CD1-CZ 3.79Å; F557-F585 HydrophobicContact CD1-CZ 3.79Å; F557-F585 HydrophobicContact CD2-CZ 4.29Å; F557-F585 HydrophobicContact CE1-CE2 4.12Å; F557-F585 HydrophobicContact CE1-CZ 4.02Å; F557-F585 HydrophobicContact CE2-CZ 4.49Å; F557-F585 AromaticContact CG-CZ 3.91Å; F557-F585 HydrophobicContact CG-CZ 3.91Å; F557-F585 HydrophobicContact CZ-CZ 4.35Å; F585-H587 PolarHBondContact O-N 3.37Å; F585-A588 PolarHBondContact O-N 2.57Å; F585-F589 HydrophobicContact CD2-CB 4.48Å; F585-F589 HydrophobicContact CD2-CD1 4.33Å; F585-F589 AromaticContact CE2-CD1 3.85Å; F585-F589 HydrophobicContact CE2-CD1 3.85Å; F585-F589 HydrophobicContact CE2-CE1 4.3Å; F585-F589 PolarHBondContact O-N 3.14Å; F585-F589 VanDerWaalsContact O-N 3.14Å
586P93.2Very high90.6Very high18 Ų1837.1 Ų37.112%0.11724%0.241CC..G310 helixtrans-63.7-24.4178.9-24.137.9000113.8Y166 M259 F557 R584 A588 F589 F593Y166-P586 PolarHBondContact OH-O 2.88Å; M259-P586 HydrophobicContact SD-CB 4.13Å; F557-P586 HydrophobicContact CE1-CB 3.87Å; F557-P586 HydrophobicContact CE1-CG 3.86Å; F557-P586 HydrophobicContact CE2-CG 4.1Å; F557-P586 HydrophobicContact CZ-CB 3.58Å; F557-P586 HydrophobicContact CZ-CG 3.38Å; R584-P586 VanDerWaalsContact O-N 3.1Å; P586-A588 PolarHBondContact O-N 2.71Å; P586-F589 PolarHBondContact O-N 3.05Å; P586-F593 HydrophobicContact CB-CE2 4.47Å
587H97.4Very high91.4Very high15 Ų1537.4 Ų37.47%0.06924%0.24CC..G310 helixtrans-72.1-15.3180-67.466.7000113.7Y166 A243 S244 D254 N255 S256 M259 R584 F585Y166-H587 VanDerWaalsContact CZ-O 3.27Å; Y166-H587 PolarHBondContact OH-O 3.4Å; A243-H587 WeakPolarHBondContact O-CB 3.46Å; A243-H587 PolarHBondContact O-CD2 3.31Å; S244-H587 VanDerWaalsContact CB-CD2 3.48Å; S244-H587 WeakPolarHBondContact CB-CD2 3.43Å; D254-H587 IonicContact OD1-CD2 3.62Å; D254-H587 IonicContact OD1-NE2 3.37Å; N255-H587 HydrophobicContact CB-CB 4.45Å; N255-H587 PolarHBondContact ND2-O 2.95Å; S256-H587 PolarHBondContact OG-NE2 2.93Å; M259-H587 HydrophobicContact CE-CB 4.39Å; M259-H587 WeakPolarHBondContact CE-CE1 3.47Å; M259-H587 WeakPolarHBondContact CE-ND1 3.44Å; M259-H587 WeakPolarHBondContact CE-NE2 3.23Å; R584-H587 HydrophobicContact CB-CB 4.28Å; R584-H587 VanDerWaalsContact O-CB 3.32Å; R584-H587 WeakPolarHBondContact O-CB 3.34Å; R584-H587 PolarHBondContact O-N 2.84Å; F585-H587 PolarHBondContact O-N 3.37Å
588A97Very high92.2Very high22 Ų2235.2 Ų35.218%0.18223%0.227CC..G310 helixtrans-127.617.6173.200000113.4Y166 V170 R242 F585 P586 S590Y166-A588 VanDerWaalsContact OH-C 3.29Å; Y166-A588 WeakPolarHBondContact OH-CA 3.34Å; Y166-A588 PolarHBondContact OH-N 3.49Å; Y166-A588 VanDerWaalsContact OH-N 3.16Å; V170-A588 HydrophobicContact CG1-CB 4.09Å; V170-A588 HydrophobicContact CG2-CB 4.03Å; R242-A588 HydrophobicContact CB-CB 4.2Å; F585-A588 PolarHBondContact O-N 2.57Å; P586-A588 PolarHBondContact O-N 2.71Å; A588-S590 VanDerWaalsContact C-N 3.28Å; A588-S590 PolarHBondContact O-N 3.03Å
589F96.1Very high93.2Very high14 Ų1432.1 Ų32.16%0.06121%0.207CC..  trans-80.868.9172.4-163.5-169.9000112.3Y166 F554 F557 F585 P586 H591 I592 Y601Y166-F589 WeakPolarHBondContact OH-CA 3.23Å; Y166-F589 PolarHBondContact OH-N 3.02Å; F554-F589 HydrophobicContact CB-CE1 4.15Å; F554-F589 HydrophobicContact CB-CZ 3.85Å; F554-F589 HydrophobicContact CD1-CE1 4.12Å; F554-F589 HydrophobicContact CD1-CZ 4.17Å; F554-F589 HydrophobicContact CG-CE1 4.33Å; F554-F589 HydrophobicContact CG-CZ 4Å; F557-F589 HydrophobicContact CD1-CD1 4.21Å; F557-F589 HydrophobicContact CD1-CE1 4.26Å; F557-F589 HydrophobicContact CE1-CD1 4.27Å; F585-F589 HydrophobicContact CD2-CB 4.48Å; F585-F589 HydrophobicContact CD2-CD1 4.33Å; F585-F589 AromaticContact CE2-CD1 3.85Å; F585-F589 HydrophobicContact CE2-CD1 3.85Å; F585-F589 HydrophobicContact CE2-CE1 4.3Å; F585-F589 PolarHBondContact O-N 3.14Å; F585-F589 VanDerWaalsContact O-N 3.14Å; P586-F589 PolarHBondContact O-N 3.05Å; F589-H591 HydrophobicContact CD2-CB 4Å; F589-H591 HydrophobicContact CE2-CB 3.69Å; F589-H591 AromaticContact CE2-ND1 3.9Å; F589-H591 HydrophobicContact CZ-CB 4.46Å; F589-H591 PolarHBondContact O-N 2.67Å; F589-H591 VanDerWaalsContact O-N 3.09Å; F589-I592 HydrophobicContact CD1-CB 4.41Å; F589-I592 HydrophobicContact CD1-CG1 3.48Å; F589-I592 VanDerWaalsContact CD1-CG1 3.48Å; F589-I592 HydrophobicContact CD2-CG1 4.28Å; F589-I592 HydrophobicContact CE1-CD1 4.02Å; F589-I592 HydrophobicContact CE1-CG1 3.38Å; F589-I592 HydrophobicContact CE2-CG1 4.2Å; F589-I592 HydrophobicContact CG-CG1 3.95Å; F589-I592 HydrophobicContact CZ-CD1 3.99Å; F589-I592 HydrophobicContact CZ-CG1 3.76Å; F589-I592 PolarHBondContact O-N 2.9Å; F589-I592 VanDerWaalsContact O-N 3.1Å; F589-Y601 AromaticContact CE2-CD2 3.91Å; F589-Y601 HydrophobicContact CE2-CD2 3.91Å; F589-Y601 AromaticContact CE2-CE2 3.47Å; F589-Y601 HydrophobicContact CE2-CE2 3.47Å; F589-Y601 VanDerWaalsContact CE2-CE2 3.47Å; F589-Y601 HydrophobicContact CZ-CD1 4.41Å; F589-Y601 AromaticContact CZ-CD2 3.5Å; F589-Y601 HydrophobicContact CZ-CD2 3.5Å; F589-Y601 VanDerWaalsContact CZ-CD2 3.5Å; F589-Y601 HydrophobicContact CZ-CE1 4.33Å; F589-Y601 AromaticContact CZ-CE2 3.4Å; F589-Y601 HydrophobicContact CZ-CE2 3.4Å; F589-Y601 VanDerWaalsContact CZ-CE2 3.4Å; F589-Y601 HydrophobicContact CZ-CG 4.02Å; F589-Y601 AromaticContact CZ-CZ 3.83Å
590S96.4Very high93.9Very high32 Ų3229.9 Ų29.922%0.22419%0.191CC..Hα-helixtrans-55.3-30.8-173.9-61.40000114.6A588 I592 F593 A594 G595A588-S590 VanDerWaalsContact C-N 3.28Å; A588-S590 PolarHBondContact O-N 3.03Å; S590-I592 PolarHBondContact O-N 3.43Å; S590-I592 VanDerWaalsContact O-N 3.1Å; S590-F593 PolarHBondContact O-N 2.9Å; S590-A594 CarbonylContact O-C 3.6Å; S590-A594 VanDerWaalsContact O-C 3.31Å; S590-A594 WeakPolarHBondContact O-CA 3.48Å; S590-A594 PolarHBondContact O-N 3.46Å; S590-G595 PolarHBondContact O-N 3.09Å
591H94.3Very high94.3Very high68 Ų6829.7 Ų29.732%0.31519%0.188SC..Hα-helixtrans-49.9-38.6176.3-71.382.9000113.4F589 G595 Y597 Y601 Y604F589-H591 HydrophobicContact CD2-CB 4Å; F589-H591 HydrophobicContact CE2-CB 3.69Å; F589-H591 AromaticContact CE2-ND1 3.9Å; F589-H591 HydrophobicContact CZ-CB 4.46Å; F589-H591 PolarHBondContact O-N 2.67Å; F589-H591 VanDerWaalsContact O-N 3.09Å; H591-G595 CarbonylContact O-C 3.59Å; H591-G595 VanDerWaalsContact O-C 3.29Å; H591-Y597 HydrophobicContact CB-CD2 4.39Å; H591-Y597 AromaticContact CD2-CD2 3.84Å; H591-Y597 PolarHBondContact O-N 2.74Å; H591-Y597 VanDerWaalsContact O-N 3.07Å; H591-Y601 HydrophobicContact CB-CD2 4.1Å; H591-Y601 HydrophobicContact CB-CE2 4.11Å; H591-Y601 AromaticContact CG-CE2 3.98Å; H591-Y604 AromaticContact CD2-CE2 3.97Å; H591-Y604 PolarHBondContact CD2-OH 2.87Å; H591-Y604 AromaticContact NE2-CZ 3.97Å; H591-Y604 PolarHBondContact NE2-OH 3.42Å
592I95.5Very high94.8Very high0 Ų024.2 Ų24.20%015%0.15CC..Hα-helixtrans-94-40.2-172.4-51.4-45.7000111.7R266 D558 F589 S590 Y601R266-I592 VanDerWaalsContact CZ-O 3.25Å; R266-I592 PolarHBondContact NH1-O 2.91Å; R266-I592 PolarHBondContact NH2-O 3.46Å; D558-I592 HydrophobicContact CB-CD1 3.71Å; D558-I592 HydrophobicContact CB-CG1 4.12Å; D558-I592 VanDerWaalsContact CG-CD1 3.44Å; D558-I592 WeakPolarHBondContact OD1-CD1 3.42Å; D558-I592 WeakPolarHBondContact OD1-CG2 3.17Å; F589-I592 HydrophobicContact CD1-CB 4.41Å; F589-I592 HydrophobicContact CD1-CG1 3.48Å; F589-I592 VanDerWaalsContact CD1-CG1 3.48Å; F589-I592 HydrophobicContact CD2-CG1 4.28Å; F589-I592 HydrophobicContact CE1-CD1 4.02Å; F589-I592 HydrophobicContact CE1-CG1 3.38Å; F589-I592 HydrophobicContact CE2-CG1 4.2Å; F589-I592 HydrophobicContact CG-CG1 3.95Å; F589-I592 HydrophobicContact CZ-CD1 3.99Å; F589-I592 HydrophobicContact CZ-CG1 3.76Å; F589-I592 PolarHBondContact O-N 2.9Å; F589-I592 VanDerWaalsContact O-N 3.1Å; S590-I592 PolarHBondContact O-N 3.43Å; S590-I592 VanDerWaalsContact O-N 3.1Å; I592-Y601 HydrophobicContact CD1-CD2 3.9Å; I592-Y601 HydrophobicContact CD1-CG 4.25Å
593F97.2Very high95Very high4 Ų421.9 Ų21.92%0.01814%0.141CC..Hα-helixtrans-102.3-18.3-170.4-66.4-77.3000114.2G163 Y166 M259 I262 L263 L561 P586 S590G163-F593 WeakPolarHBondContact CA-O 3.31Å; Y166-F593 HydrophobicContact CD1-CB 4Å; Y166-F593 HydrophobicContact CD2-CB 3.48Å; Y166-F593 VanDerWaalsContact CD2-CB 3.48Å; Y166-F593 HydrophobicContact CD2-CG 4.17Å; Y166-F593 HydrophobicContact CE1-CB 3.93Å; Y166-F593 HydrophobicContact CE2-CB 3.37Å; Y166-F593 AromaticContact CE2-CD2 3.89Å; Y166-F593 HydrophobicContact CE2-CD2 3.89Å; Y166-F593 AromaticContact CE2-CG 3.73Å; Y166-F593 HydrophobicContact CE2-CG 3.73Å; Y166-F593 HydrophobicContact CG-CB 3.78Å; Y166-F593 AromaticContact CZ-CD2 3.99Å; M259-F593 HydrophobicContact CB-CD1 4.07Å; M259-F593 HydrophobicContact CB-CE1 3.68Å; M259-F593 HydrophobicContact CB-CZ 4.1Å; M259-F593 HydrophobicContact CG-CD1 3.69Å; M259-F593 HydrophobicContact CG-CD2 4.15Å; M259-F593 HydrophobicContact CG-CE1 3.66Å; M259-F593 HydrophobicContact CG-CE2 4.13Å; M259-F593 HydrophobicContact CG-CG 3.94Å; M259-F593 HydrophobicContact CG-CZ 3.88Å; M259-F593 HydrophobicContact SD-CD1 4.45Å; M259-F593 HydrophobicContact SD-CD2 3.95Å; M259-F593 HydrophobicContact SD-CE1 4.15Å; M259-F593 HydrophobicContact SD-CE2 3.61Å; M259-F593 HydrophobicContact SD-CG 4.36Å; M259-F593 HydrophobicContact SD-CZ 3.72Å; I262-F593 HydrophobicContact CB-CD1 4.34Å; I262-F593 HydrophobicContact CD1-CB 4.23Å; I262-F593 HydrophobicContact CD1-CD1 4.06Å; I262-F593 HydrophobicContact CG2-CD1 4.03Å; I262-F593 HydrophobicContact CG2-CE1 4.5Å; L263-F593 HydrophobicContact CD1-CE1 4.39Å; L263-F593 HydrophobicContact CD2-CE1 4.21Å; L263-F593 HydrophobicContact CG-CE1 4.09Å; L561-F593 HydrophobicContact CD1-CZ 4.1Å; P586-F593 HydrophobicContact CB-CE2 4.47Å; S590-F593 PolarHBondContact O-N 2.9Å
594A95.5Very high95.2Very high32 Ų3222.7 Ų22.726%0.26414%0.136SC..THydrogen-bonded Turntrans-132.70.5178.100000114G163 Y166 S590G163-A594 VanDerWaalsContact O-CB 3.29Å; G163-A594 WeakPolarHBondContact O-CB 3.22Å; Y166-A594 HydrophobicContact CD1-CB 3.73Å; Y166-A594 HydrophobicContact CE1-CB 4.5Å; Y166-A594 HydrophobicContact CG-CB 4.42Å; S590-A594 CarbonylContact O-C 3.6Å; S590-A594 VanDerWaalsContact O-C 3.31Å; S590-A594 WeakPolarHBondContact O-CA 3.48Å; S590-A594 PolarHBondContact O-N 3.46Å
595G91Very high95.3Very high37 Ų3720.6 Ų20.638%0.38113%0.129SC..SBendtrans-122.4-173.8-178.900000112.3S590 H591S590-G595 PolarHBondContact O-N 3.09Å; H591-G595 CarbonylContact O-C 3.59Å; H591-G595 VanDerWaalsContact O-C 3.29Å
596G89.8Confident95.6Very high44 Ų4420.2 Ų20.245%0.45413%0.126SC..SBendtrans-85.50.6-173.600000116.5
597Y95.5Very high95.8Very high30 Ų3019.3 Ų19.312%0.11812%0.121CC..  trans-97.213-166.5-66.9-99.8000114.5W495 E499 D558 H591 A599 G600 Y601 S603 Y604W495-Y597 HydrophobicContact CZ2-CD2 4.41Å; W495-Y597 AromaticContact CZ2-CE2 3.94Å; W495-Y597 HydrophobicContact CZ2-CE2 3.94Å; W495-Y597 AromaticContact NE1-CD1 3.47Å; W495-Y597 AromaticContact NE1-CD2 3.97Å; W495-Y597 AromaticContact NE1-CE1 3.45Å; W495-Y597 AromaticContact NE1-CE2 3.92Å; W495-Y597 AromaticContact NE1-CG 3.74Å; W495-Y597 AromaticContact NE1-CZ 3.68Å; E499-Y597 PolarHBondContact OE1-OH 2.97Å; D558-Y597 VanDerWaalsContact OD2-O 3.14Å; H591-Y597 HydrophobicContact CB-CD2 4.39Å; H591-Y597 AromaticContact CD2-CD2 3.84Å; H591-Y597 PolarHBondContact O-N 2.74Å; H591-Y597 VanDerWaalsContact O-N 3.07Å; Y597-A599 PolarHBondContact O-N 3.29Å; Y597-G600 CarbonylContact O-C 3.55Å; Y597-G600 VanDerWaalsContact O-C 3.27Å; Y597-G600 VanDerWaalsContact O-CA 3.25Å; Y597-G600 WeakPolarHBondContact O-CA 3.33Å; Y597-G600 PolarHBondContact O-N 3.35Å; Y597-Y601 PolarHBondContact O-N 3.29Å; Y597-S603 WeakPolarHBondContact CD1-OG 3.3Å; Y597-Y604 HydrophobicContact CD1-CD2 4.34Å; Y597-Y604 AromaticContact CD1-CE2 3.88Å; Y597-Y604 HydrophobicContact CD1-CE2 3.88Å; Y597-Y604 HydrophobicContact CE1-CD2 4.26Å; Y597-Y604 AromaticContact CE1-CE2 3.69Å; Y597-Y604 HydrophobicContact CE1-CE2 3.69Å; Y597-Y604 AromaticContact CE1-CZ 3.92Å
598A95.7Very high95.7Very high4 Ų419.3 Ų19.33%0.03312%0.121CC..THydrogen-bonded Turntrans-62.3128.2178.900000112.6R266 Y278 S282 G600R266-A598 VanDerWaalsContact CZ-CB 3.46Å; R266-A598 VanDerWaalsContact NH1-CB 3.27Å; Y278-A598 HydrophobicContact CE1-CB 3.84Å; S282-A598 PolarHBondContact OG-O 3.27Å; A598-G600 PolarHBondContact O-N 2.86Å
599A95.1Very high95.8Very high0 Ų019 Ų190%012%0.116CC..THydrogen-bonded Turntrans46.642.4-167.300000112.1Y278 A279 S282 D558 F559 Y597Y278-A599 HydrophobicContact CD1-CB 4.12Å; A279-A599 HydrophobicContact CB-CB 4.13Å; S282-A599 PolarHBondContact OG-O 2.99Å; S282-A599 VanDerWaalsContact OG-O 3.12Å; D558-A599 VanDerWaalsContact CG-N 3.34Å; D558-A599 PolarHBondContact OD1-N 2.88Å; D558-A599 VanDerWaalsContact OD2-CA 3.26Å; D558-A599 WeakPolarHBondContact OD2-CA 3.17Å; D558-A599 PolarHBondContact OD2-N 3.36Å; D558-A599 VanDerWaalsContact OD2-N 3.1Å; F559-A599 HydrophobicContact CD2-CB 4.22Å; F559-A599 HydrophobicContact CE2-CB 4.31Å; F559-A599 WeakPolarHBondContact CE2-O 3.4Å; Y597-A599 PolarHBondContact O-N 3.29Å
600G96.2Very high95.9Very high0 Ų018.5 Ų18.50%012%0.115CC..THydrogen-bonded Turntrans-156.4-5-167.500000113.3D558 Y597 A598 Y602 S603D558-G600 PolarHBondContact OD2-N 3.21Å; Y597-G600 CarbonylContact O-C 3.55Å; Y597-G600 VanDerWaalsContact O-C 3.27Å; Y597-G600 VanDerWaalsContact O-CA 3.25Å; Y597-G600 WeakPolarHBondContact O-CA 3.33Å; Y597-G600 PolarHBondContact O-N 3.35Å; A598-G600 PolarHBondContact O-N 2.86Å; G600-Y602 PolarHBondContact O-N 2.93Å; G600-Y602 VanDerWaalsContact O-N 3.16Å; G600-S603 WeakPolarHBondContact O-CB 3.45Å; G600-S603 PolarHBondContact O-N 3.23Å; G600-S603 PolarHBondContact O-OG 3.48Å
601Y96.6Very high95.9Very high16 Ų1617 Ų176%0.06310%0.104CC..THydrogen-bonded Turntrans-63.8-23.4-178.1-164.3-89.1000113.3Q551 F554 D558 F589 H591 I592 Y597 S603 Y604Q551-Y601 PolarHBondContact OE1-OH 3.49Å; Q551-Y601 VanDerWaalsContact OE1-OH 3.1Å; F554-Y601 HydrophobicContact CB-CD1 3.6Å; F554-Y601 HydrophobicContact CB-CE1 3.23Å; F554-Y601 HydrophobicContact CB-CG 4.44Å; F554-Y601 AromaticContact CD2-CE1 3.98Å; F554-Y601 HydrophobicContact CD2-CE1 3.98Å; F554-Y601 AromaticContact CD2-CZ 3.94Å; F554-Y601 WeakPolarHBondContact CD2-OH 3.47Å; F554-Y601 HydrophobicContact CG-CE1 4.07Å; D558-Y601 WeakPolarHBondContact OD2-CB 3.5Å; D558-Y601 PolarHBondContact OD2-N 2.88Å; F589-Y601 AromaticContact CE2-CD2 3.91Å; F589-Y601 HydrophobicContact CE2-CD2 3.91Å; F589-Y601 AromaticContact CE2-CE2 3.47Å; F589-Y601 HydrophobicContact CE2-CE2 3.47Å; F589-Y601 VanDerWaalsContact CE2-CE2 3.47Å; F589-Y601 HydrophobicContact CZ-CD1 4.41Å; F589-Y601 AromaticContact CZ-CD2 3.5Å; F589-Y601 HydrophobicContact CZ-CD2 3.5Å; F589-Y601 VanDerWaalsContact CZ-CD2 3.5Å; F589-Y601 HydrophobicContact CZ-CE1 4.33Å; F589-Y601 AromaticContact CZ-CE2 3.4Å; F589-Y601 HydrophobicContact CZ-CE2 3.4Å; F589-Y601 VanDerWaalsContact CZ-CE2 3.4Å; F589-Y601 HydrophobicContact CZ-CG 4.02Å; F589-Y601 AromaticContact CZ-CZ 3.83Å; H591-Y601 HydrophobicContact CB-CD2 4.1Å; H591-Y601 HydrophobicContact CB-CE2 4.11Å; H591-Y601 AromaticContact CG-CE2 3.98Å; I592-Y601 HydrophobicContact CD1-CD2 3.9Å; I592-Y601 HydrophobicContact CD1-CG 4.25Å; Y597-Y601 PolarHBondContact O-N 3.29Å; Y601-S603 PolarHBondContact O-N 2.64Å; Y601-S603 VanDerWaalsContact O-N 3.07Å; Y601-Y604 HydrophobicContact CD1-CD2 4.26Å; Y601-Y604 AromaticContact CD2-CD2 4Å; Y601-Y604 HydrophobicContact CD2-CD2 4Å; Y601-Y604 AromaticContact CD2-CE2 3.94Å; Y601-Y604 HydrophobicContact CD2-CE2 3.94Å; Y601-Y604 HydrophobicContact CE1-CD2 4.02Å; Y601-Y604 AromaticContact CE2-CD2 3.73Å; Y601-Y604 HydrophobicContact CE2-CD2 3.73Å; Y601-Y604 AromaticContact CE2-CE2 3.51Å; Y601-Y604 HydrophobicContact CE2-CE2 3.51Å; Y601-Y604 HydrophobicContact CG-CD2 4.27Å; Y601-Y604 AromaticContact CZ-CD2 3.76Å; Y601-Y604 AromaticContact CZ-CE2 3.91Å; Y601-Y604 PolarHBondContact O-N 3.41Å
602Y96.5Very high96.1Very high1 Ų113.8 Ų13.80%0.0049%0.089CC..THydrogen-bonded Turntrans-56.3-22.4171.979.6-89.7000113.1L283 K286 A288 V294 D496 F559 G600 Y604 L605 W606L283-Y602 HydrophobicContact CD2-CE1 3.89Å; L283-Y602 WeakPolarHBondContact CD2-OH 3.35Å; K286-Y602 HydrophobicContact CD-CE1 4.34Å; K286-Y602 WeakPolarHBondContact CD-OH 3.4Å; A288-Y602 HydrophobicContact CB-CE2 4.31Å; A288-Y602 VanDerWaalsContact CB-OH 3.32Å; A288-Y602 WeakPolarHBondContact CB-OH 3.49Å; V294-Y602 HydrophobicContact CG1-CD1 3.58Å; V294-Y602 HydrophobicContact CG1-CD2 3.86Å; V294-Y602 HydrophobicContact CG1-CE1 4.07Å; V294-Y602 HydrophobicContact CG1-CE2 4.35Å; V294-Y602 HydrophobicContact CG1-CG 3.45Å; V294-Y602 VanDerWaalsContact CG1-CG 3.45Å; V294-Y602 HydrophobicContact CG2-CD1 4.27Å; V294-Y602 HydrophobicContact CG2-CD2 4.25Å; V294-Y602 HydrophobicContact CG2-CE1 3.89Å; V294-Y602 HydrophobicContact CG2-CE2 3.91Å; V294-Y602 HydrophobicContact CG2-CG 4.43Å; D496-Y602 HydrophobicContact CB-CE2 3.91Å; D496-Y602 PolarHBondContact OD2-OH 2.91Å; D496-Y602 VanDerWaalsContact OD2-OH 3.14Å; F559-Y602 HydrophobicContact CD2-CD1 4.01Å; F559-Y602 HydrophobicContact CD2-CE1 4.42Å; F559-Y602 AromaticContact CE2-CD1 3.97Å; F559-Y602 HydrophobicContact CE2-CD1 3.97Å; F559-Y602 AromaticContact CE2-CE1 3.94Å; F559-Y602 HydrophobicContact CE2-CE1 3.94Å; G600-Y602 PolarHBondContact O-N 2.93Å; G600-Y602 VanDerWaalsContact O-N 3.16Å; Y602-Y604 PolarHBondContact O-N 2.83Å; Y602-L605 PolarHBondContact O-N 2.84Å; Y602-L605 VanDerWaalsContact O-N 3.1Å; Y602-W606 HydrophobicContact CD2-CB 3.89Å; Y602-W606 HydrophobicContact CD2-CD2 4.32Å; Y602-W606 HydrophobicContact CD2-CE3 4.02Å; Y602-W606 HydrophobicContact CD2-CG 4.31Å; Y602-W606 HydrophobicContact CE2-CB 4.11Å; Y602-W606 AromaticContact CE2-CD2 3.99Å; Y602-W606 HydrophobicContact CE2-CD2 3.99Å; Y602-W606 AromaticContact CE2-CE3 3.9Å; Y602-W606 HydrophobicContact CE2-CE3 3.9Å; Y602-W606 HydrophobicContact CE2-CG 4.1Å; Y602-W606 WeakPolarHBondContact O-CB 3.39Å; Y602-W606 PolarHBondContact O-N 3.28Å
603S96.7Very high96.2Very high0 Ų013.9 Ų13.90%09%0.09CC..Hα-helixtrans-51.1-36.3176.652.90000113.1Y597 G600 Y601 L605 W606 A607Y597-S603 WeakPolarHBondContact CD1-OG 3.3Å; G600-S603 WeakPolarHBondContact O-CB 3.45Å; G600-S603 PolarHBondContact O-N 3.23Å; G600-S603 PolarHBondContact O-OG 3.48Å; Y601-S603 PolarHBondContact O-N 2.64Å; Y601-S603 VanDerWaalsContact O-N 3.07Å; S603-L605 PolarHBondContact O-N 3.11Å; S603-W606 PolarHBondContact O-N 3.35Å; S603-A607 WeakPolarHBondContact O-CB 3.5Å; S603-A607 PolarHBondContact O-N 2.96Å
604Y96.6Very high96.3Very high43 Ų4313.7 Ų13.717%0.1699%0.089CC..Hα-helixtrans-56.8-50176.2-79.7-70.9000112.1E499 Q503 H591 Y597 Y601 Y602 D608E499-Y604 HydrophobicContact CG-CD1 3.88Å; E499-Y604 HydrophobicContact CG-CE1 4.09Å; Q503-Y604 PolarHBondContact NE2-O 3.41Å; Q503-Y604 PolarHBondContact OE1-O 3.36Å; H591-Y604 AromaticContact CD2-CE2 3.97Å; H591-Y604 PolarHBondContact CD2-OH 2.87Å; H591-Y604 AromaticContact NE2-CZ 3.97Å; H591-Y604 PolarHBondContact NE2-OH 3.42Å; Y597-Y604 HydrophobicContact CD1-CD2 4.34Å; Y597-Y604 AromaticContact CD1-CE2 3.88Å; Y597-Y604 HydrophobicContact CD1-CE2 3.88Å; Y597-Y604 HydrophobicContact CE1-CD2 4.26Å; Y597-Y604 AromaticContact CE1-CE2 3.69Å; Y597-Y604 HydrophobicContact CE1-CE2 3.69Å; Y597-Y604 AromaticContact CE1-CZ 3.92Å; Y601-Y604 HydrophobicContact CD1-CD2 4.26Å; Y601-Y604 AromaticContact CD2-CD2 4Å; Y601-Y604 HydrophobicContact CD2-CD2 4Å; Y601-Y604 AromaticContact CD2-CE2 3.94Å; Y601-Y604 HydrophobicContact CD2-CE2 3.94Å; Y601-Y604 HydrophobicContact CE1-CD2 4.02Å; Y601-Y604 AromaticContact CE2-CD2 3.73Å; Y601-Y604 HydrophobicContact CE2-CD2 3.73Å; Y601-Y604 AromaticContact CE2-CE2 3.51Å; Y601-Y604 HydrophobicContact CE2-CE2 3.51Å; Y601-Y604 HydrophobicContact CG-CD2 4.27Å; Y601-Y604 AromaticContact CZ-CD2 3.76Å; Y601-Y604 AromaticContact CZ-CE2 3.91Å; Y601-Y604 PolarHBondContact O-N 3.41Å; Y602-Y604 PolarHBondContact O-N 2.83Å; Y604-D608 WeakPolarHBondContact O-CB 3.39Å; Y604-D608 PolarHBondContact O-N 2.59Å
605L97.2Very high96.4Very high7 Ų712.2 Ų12.24%0.0378%0.077CC..Hα-helixtrans-77.9-31.7179.3-67.9174.7000112.2F297 L298 L301 I548 Q551 L552 Y602 S603 D608 V609F297-L605 HydrophobicContact CE1-CB 4.04Å; F297-L605 HydrophobicContact CZ-CB 4.16Å; L298-L605 HydrophobicContact CD2-CD1 4.34Å; L301-L605 HydrophobicContact CD1-CB 4.33Å; L301-L605 HydrophobicContact CD1-CD1 4.33Å; I548-L605 HydrophobicContact CD1-CD2 3.67Å; Q551-L605 HydrophobicContact CB-CD1 4.13Å; Q551-L605 HydrophobicContact CB-CD2 4.18Å; Q551-L605 HydrophobicContact CB-CG 4.25Å; L552-L605 HydrophobicContact CD2-CD1 3.44Å; L552-L605 VanDerWaalsContact CD2-CD1 3.44Å; L552-L605 HydrophobicContact CG-CD1 3.74Å; Y602-L605 PolarHBondContact O-N 2.84Å; Y602-L605 VanDerWaalsContact O-N 3.1Å; S603-L605 PolarHBondContact O-N 3.11Å; L605-D608 WeakPolarHBondContact O-CB 3.5Å; L605-D608 PolarHBondContact O-N 3.32Å; L605-V609 PolarHBondContact O-N 2.66Å
606W97.4Very high96.7Very high37 Ų3711 Ų1114%0.146%0.063CC..Hα-helixtrans-65.4-48178.8-173.6-80.6000111.7A288 Q293 F297 D496 Y602 S603 D608 V609A288-W606 HydrophobicContact CB-CH2 4.3Å; Q293-W606 HydrophobicContact CG-CH2 4.19Å; F297-W606 HydrophobicContact CB-CE3 4.36Å; F297-W606 HydrophobicContact CB-CZ3 4.04Å; F297-W606 AromaticContact CD1-CE3 3.7Å; F297-W606 HydrophobicContact CD1-CE3 3.7Å; F297-W606 HydrophobicContact CD1-CZ3 4.24Å; F297-W606 HydrophobicContact CD2-CE3 4.36Å; F297-W606 HydrophobicContact CE1-CB 4.17Å; F297-W606 HydrophobicContact CE1-CE3 4.02Å; F297-W606 AromaticContact CG-CE3 3.88Å; F297-W606 HydrophobicContact CG-CE3 3.88Å; F297-W606 HydrophobicContact CG-CZ3 4.02Å; F297-W606 HydrophobicContact CZ-CB 4.48Å; F297-W606 HydrophobicContact CZ-CE3 4.47Å; D496-W606 HydrophobicContact CB-CG 4.5Å; D496-W606 VanDerWaalsContact O-CD1 3.3Å; Y602-W606 HydrophobicContact CD2-CB 3.89Å; Y602-W606 HydrophobicContact CD2-CD2 4.32Å; Y602-W606 HydrophobicContact CD2-CE3 4.02Å; Y602-W606 HydrophobicContact CD2-CG 4.31Å; Y602-W606 HydrophobicContact CE2-CB 4.11Å; Y602-W606 AromaticContact CE2-CD2 3.99Å; Y602-W606 HydrophobicContact CE2-CD2 3.99Å; Y602-W606 AromaticContact CE2-CE3 3.9Å; Y602-W606 HydrophobicContact CE2-CE3 3.9Å; Y602-W606 HydrophobicContact CE2-CG 4.1Å; Y602-W606 WeakPolarHBondContact O-CB 3.39Å; Y602-W606 PolarHBondContact O-N 3.28Å; S603-W606 PolarHBondContact O-N 3.35Å; W606-D608 VanDerWaalsContact C-N 3.28Å; W606-D608 PolarHBondContact O-N 3.48Å; W606-V609 WeakPolarHBondContact O-CB 3.32Å; W606-V609 PolarHBondContact O-N 3.12Å
607A97.4Very high97.1Very high0 Ų010.6 Ų10.60%05%0.047CC..Hα-helixtrans-70.3-26.5176.300000112.4E499 S603 V609 L610 A611E499-A607 HydrophobicContact CB-CB 3.5Å; E499-A607 VanDerWaalsContact CB-CB 3.5Å; S603-A607 WeakPolarHBondContact O-CB 3.5Å; S603-A607 PolarHBondContact O-N 2.96Å; A607-V609 VanDerWaalsContact C-N 3.28Å; A607-V609 PolarHBondContact O-N 3.37Å; A607-L610 CarbonylContact O-C 3.31Å; A607-L610 WeakPolarHBondContact O-CA 3.39Å; A607-L610 VanDerWaalsContact O-CB 3.29Å; A607-L610 WeakPolarHBondContact O-CB 3.27Å; A607-L610 PolarHBondContact O-N 2.96Å; A607-A611 WeakPolarHBondContact O-CB 3.36Å; A607-A611 PolarHBondContact O-N 3.33Å
608D97Very high97.2Very high15 Ų159.2 Ų9.28%0.084%0.042CC..Hα-helixtrans-63.5-37.5174.8-161.2-0.8000111Q503 Y604 L605 W606 L610 A611 A612 M662 Y666Q503-D608 VanDerWaalsContact OE1-CA 3.25Å; Y604-D608 WeakPolarHBondContact O-CB 3.39Å; Y604-D608 PolarHBondContact O-N 2.59Å; L605-D608 WeakPolarHBondContact O-CB 3.5Å; L605-D608 PolarHBondContact O-N 3.32Å; W606-D608 VanDerWaalsContact C-N 3.28Å; W606-D608 PolarHBondContact O-N 3.48Å; D608-L610 VanDerWaalsContact C-N 3.28Å; D608-L610 PolarHBondContact O-N 3.34Å; D608-A611 PolarHBondContact O-N 3.39Å; D608-A612 VanDerWaalsContact O-CB 3.24Å; D608-A612 WeakPolarHBondContact O-CB 3.37Å; D608-A612 PolarHBondContact O-N 3.26Å; D608-M662 HydrophobicContact CB-CG 4.38Å; D608-M662 HydrophobicContact CB-SD 3.99Å; D608-Y666 WeakPolarHBondContact OD2-CE2 3.38Å; D608-Y666 VanDerWaalsContact OD2-CZ 3.27Å; D608-Y666 PolarHBondContact OD2-OH 3.19Å
609V97.4Very high97.2Very high14 Ų1413.3 Ų13.39%0.0856%0.06CC..Hα-helixtrans-57.5-44169.8179.10000111.2F297 L605 W606 A607 D613 P657 L659 M662F297-V609 HydrophobicContact CE2-CG2 3.94Å; F297-V609 HydrophobicContact CZ-CG2 4.07Å; L605-V609 PolarHBondContact O-N 2.66Å; W606-V609 WeakPolarHBondContact O-CB 3.32Å; W606-V609 PolarHBondContact O-N 3.12Å; A607-V609 VanDerWaalsContact C-N 3.28Å; A607-V609 PolarHBondContact O-N 3.37Å; V609-D613 VanDerWaalsContact O-CB 3.27Å; V609-D613 WeakPolarHBondContact O-CB 3.42Å; V609-D613 PolarHBondContact O-N 3.3Å; V609-D613 VanDerWaalsContact O-N 3.17Å; V609-P657 HydrophobicContact CG1-CB 4.17Å; V609-L659 HydrophobicContact CG1-CD1 4.44Å; V609-L659 HydrophobicContact CG2-CD1 3.47Å; V609-L659 VanDerWaalsContact CG2-CD1 3.47Å; V609-M662 HydrophobicContact CG2-CB 4.47Å; V609-M662 HydrophobicContact CG2-SD 3.61Å
610L98Very high97.3Very high5 Ų519.2 Ų19.23%0.0269%0.088CC..Hα-helixtrans-65.8-45.9177.3-50.4176.4000110.7M287 A497 L500 A607 D608 A614 F649 P657M287-L610 HydrophobicContact CE-CD1 4.48Å; M287-L610 HydrophobicContact SD-CD1 4.18Å; A497-L610 HydrophobicContact CB-CD1 4.44Å; L500-L610 HydrophobicContact CB-CB 4.21Å; L500-L610 HydrophobicContact CB-CD1 4.41Å; L500-L610 HydrophobicContact CD1-CB 3.57Å; L500-L610 HydrophobicContact CD1-CD1 3.96Å; L500-L610 HydrophobicContact CD1-CG 4.36Å; L500-L610 HydrophobicContact CG-CB 3.85Å; A607-L610 CarbonylContact O-C 3.31Å; A607-L610 WeakPolarHBondContact O-CA 3.39Å; A607-L610 VanDerWaalsContact O-CB 3.29Å; A607-L610 WeakPolarHBondContact O-CB 3.27Å; A607-L610 PolarHBondContact O-N 2.96Å; D608-L610 VanDerWaalsContact C-N 3.28Å; D608-L610 PolarHBondContact O-N 3.34Å; L610-A614 WeakPolarHBondContact O-CB 3.45Å; L610-A614 PolarHBondContact O-N 3.35Å; L610-F649 HydrophobicContact CB-CD2 4.34Å; L610-F649 HydrophobicContact CB-CE2 4.24Å; L610-F649 HydrophobicContact CD2-CD2 4.3Å; L610-F649 HydrophobicContact CD2-CE2 4.48Å; L610-F649 WeakPolarHBondContact O-CE2 3.31Å; L610-P657 HydrophobicContact CD2-CB 3.7Å; L610-P657 HydrophobicContact CD2-CG 3.19Å
611A98.2Very high97.3Very high0 Ų023.1 Ų23.10%011%0.106CC..Hα-helixtrans-65.6-49.9-176.500000111.9Q503 F504 A607 D608 A614 F615Q503-A611 HydrophobicContact CB-CB 3.63Å; F504-A611 HydrophobicContact CB-CB 4.22Å; A607-A611 WeakPolarHBondContact O-CB 3.36Å; A607-A611 PolarHBondContact O-N 3.33Å; D608-A611 PolarHBondContact O-N 3.39Å; A611-A614 PolarHBondContact O-N 2.74Å; A611-F615 WeakPolarHBondContact O-CB 3.34Å; A611-F615 PolarHBondContact O-N 3.11Å
612A97.8Very high97.4Very high1 Ų123.9 Ų23.91%0.00812%0.119CC..Hα-helixtrans-61.5-45.6178.600000111.4D608 F615 S616 A661 M662D608-A612 VanDerWaalsContact O-CB 3.24Å; D608-A612 WeakPolarHBondContact O-CB 3.37Å; D608-A612 PolarHBondContact O-N 3.26Å; A612-F615 PolarHBondContact O-N 3.41Å; A612-S616 PolarHBondContact O-N 2.9Å; A612-A661 HydrophobicContact CB-CB 4.17Å; A612-M662 HydrophobicContact CB-CB 4.01Å
613D98Very high97.5Very high1 Ų124.5 Ų24.51%0.00512%0.123CC..Hα-helixtrans-72.1-32178.8-171.322000112.5V609 S616 F649 R653 R655 P657 Q658 A661V609-D613 VanDerWaalsContact O-CB 3.27Å; V609-D613 WeakPolarHBondContact O-CB 3.42Å; V609-D613 PolarHBondContact O-N 3.3Å; V609-D613 VanDerWaalsContact O-N 3.17Å; D613-S616 PolarHBondContact O-N 3.47Å; D613-S616 PolarHBondContact O-OG 2.86Å; D613-S616 PolarHBondContact OD1-OG 3.19Å; D613-F649 HydrophobicContact CB-CZ 4.08Å; D613-R653 PolarHBondContact O-NE 3.25Å; D613-R653 IonicContact OD1-NE 3.67Å; D613-R653 PolarHBondContact OD1-NE 3.01Å; D613-R653 IonicContact OD1-NH2 3.31Å; D613-R655 IonicContact OD1-CZ 2.58Å; D613-R655 IonicContact OD1-NH1 3.54Å; D613-R655 PolarHBondContact OD1-NH1 3.45Å; D613-R655 IonicContact OD1-NH2 2.94Å; D613-R655 PolarHBondContact OD1-NH2 3.34Å; D613-R655 IonicContact OD2-CZ 3.96Å; D613-R655 IonicContact OD2-NH1 2.83Å; D613-R655 PolarHBondContact OD2-NH1 2.96Å; D613-R655 IonicContact OD2-NH2 3.92Å; D613-P657 WeakPolarHBondContact OD2-CA 3.45Å; D613-Q658 PolarHBondContact OD2-N 2.91Å; D613-A661 HydrophobicContact CB-CB 4.12Å
614A98.1Very high97.5Very high1 Ų126.4 Ų26.41%0.00813%0.131CC..Hα-helixtrans-64.4-43169.700000111.5F504 L610 A611 S616 R617 F632 F649 F652F504-A614 HydrophobicContact CD2-CB 4.08Å; F504-A614 HydrophobicContact CE2-CB 4.3Å; L610-A614 WeakPolarHBondContact O-CB 3.45Å; L610-A614 PolarHBondContact O-N 3.35Å; A611-A614 PolarHBondContact O-N 2.74Å; A614-S616 VanDerWaalsContact C-N 3.31Å; A614-S616 PolarHBondContact O-N 2.96Å; A614-R617 WeakPolarHBondContact O-CB 3.38Å; A614-R617 PolarHBondContact O-N 2.85Å; A614-F632 HydrophobicContact CB-CE2 4.11Å; A614-F649 HydrophobicContact CB-CE2 4.06Å; A614-F652 HydrophobicContact CB-CD1 4.2Å; A614-F652 HydrophobicContact CB-CE1 3.76Å; A614-F652 WeakPolarHBondContact O-CE1 3.5Å
615F98.2Very high97.6Very high1 Ų126.5 Ų26.50%0.00413%0.134CC..Hα-helixtrans-67.8-30.1177.4-171-101000112.4F504 N507 W508 E511 A611 A612 R617 F618 E619 I623 H665F504-F615 HydrophobicContact CD2-CB 4.12Å; F504-F615 HydrophobicContact CD2-CD2 4.5Å; F504-F615 HydrophobicContact CE2-CB 4.17Å; F504-F615 HydrophobicContact CE2-CD2 4.14Å; N507-F615 HydrophobicContact CB-CB 4.45Å; N507-F615 HydrophobicContact CB-CD1 3.61Å; N507-F615 HydrophobicContact CB-CD2 3.39Å; N507-F615 HydrophobicContact CB-CE1 3.56Å; N507-F615 HydrophobicContact CB-CE2 3.34Å; N507-F615 HydrophobicContact CB-CG 3.53Å; N507-F615 HydrophobicContact CB-CZ 3.43Å; N507-F615 VanDerWaalsContact CB-CZ 3.43Å; N507-F615 VanDerWaalsContact CG-CG 3.41Å; W508-F615 HydrophobicContact CD2-CE2 4.24Å; W508-F615 HydrophobicContact CE3-CE2 4.16Å; W508-F615 HydrophobicContact CH2-CD2 4.19Å; W508-F615 HydrophobicContact CH2-CE2 4Å; W508-F615 HydrophobicContact CZ2-CE2 4.07Å; W508-F615 HydrophobicContact CZ3-CD2 4.16Å; W508-F615 HydrophobicContact CZ3-CE2 4.04Å; E511-F615 HydrophobicContact CG-CZ 4.14Å; A611-F615 WeakPolarHBondContact O-CB 3.34Å; A611-F615 PolarHBondContact O-N 3.11Å; A612-F615 PolarHBondContact O-N 3.41Å; F615-R617 PolarHBondContact O-N 3.39Å; F615-F618 HydrophobicContact CD2-CB 4.2Å; F615-F618 HydrophobicContact CE2-CB 4.15Å; F615-F618 WeakPolarHBondContact O-CA 3.47Å; F615-F618 VanDerWaalsContact O-CB 3.3Å; F615-F618 WeakPolarHBondContact O-CB 3.26Å; F615-F618 PolarHBondContact O-N 3.32Å; F615-E619 HydrophobicContact CD1-CG 3.74Å; F615-E619 HydrophobicContact CE1-CG 3.56Å; F615-E619 PolarHBondContact O-N 3.22Å; F615-E619 VanDerWaalsContact O-N 3.08Å; F615-I623 HydrophobicContact CZ-CG2 4.26Å; F615-H665 AromaticContact CD1-CE1 3.91Å
616S97.2Very high97.6Very high12 Ų1229.5 Ų29.58%0.08415%0.145CC..Hα-helixtrans-55.8-28.9175.776.90000113.4A612 D613 A614 F618 E619 E620 R653A612-S616 PolarHBondContact O-N 2.9Å; D613-S616 PolarHBondContact O-N 3.47Å; D613-S616 PolarHBondContact O-OG 2.86Å; D613-S616 PolarHBondContact OD1-OG 3.19Å; A614-S616 VanDerWaalsContact C-N 3.31Å; A614-S616 PolarHBondContact O-N 2.96Å; S616-F618 VanDerWaalsContact C-N 3.34Å; S616-F618 PolarHBondContact O-N 2.96Å; S616-E619 WeakPolarHBondContact CA-OE2 3.49Å; S616-E619 WeakPolarHBondContact O-CB 3.45Å; S616-E619 PolarHBondContact O-N 3.42Å; S616-E620 VanDerWaalsContact O-CG 3.26Å; S616-E620 WeakPolarHBondContact O-CG 3.49Å; S616-E620 PolarHBondContact O-N 2.98Å; S616-R653 PolarHBondContact OG-NH2 3.39Å
617R97.6Very high97.7Very high35 Ų3534.9 Ų34.913%0.13217%0.172CC..Hα-helixtrans-65.3-36.1172.3-171.9179.7172.3-162.6-16.9112.4A614 F615 E620 E621 T628 S631 F652A614-R617 WeakPolarHBondContact O-CB 3.38Å; A614-R617 PolarHBondContact O-N 2.85Å; F615-R617 PolarHBondContact O-N 3.39Å; R617-E620 PolarHBondContact O-N 3.02Å; R617-E621 HydrophobicContact CG-CG 4.33Å; R617-E621 WeakPolarHBondContact CG-OE1 3.28Å; R617-E621 IonicContact CZ-OE1 3.76Å; R617-E621 IonicContact CZ-OE2 2.74Å; R617-E621 VanDerWaalsContact NE-CD 3.32Å; R617-E621 IonicContact NE-OE1 3.28Å; R617-E621 PolarHBondContact NE-OE1 3Å; R617-E621 IonicContact NE-OE2 3.5Å; R617-E621 PolarHBondContact NE-OE2 3.18Å; R617-E621 IonicContact NH2-OE1 3.45Å; R617-E621 IonicContact NH2-OE2 3.57Å; R617-E621 PolarHBondContact NH2-OE2 3.21Å; R617-E621 VanDerWaalsContact NH2-OE2 3.11Å; R617-E621 VanDerWaalsContact O-CB 3.29Å; R617-E621 WeakPolarHBondContact O-CB 3.4Å; R617-E621 WeakPolarHBondContact O-CG 3.44Å; R617-E621 PolarHBondContact O-N 2.92Å; R617-T628 HydrophobicContact CB-CG2 4.42Å; R617-T628 HydrophobicContact CG-CG2 3.81Å; R617-S631 PolarHBondContact NH1-OG 3.43Å; R617-S631 VanDerWaalsContact NH1-OG 3.08Å; R617-F652 HydrophobicContact CB-CE1 4.44Å; R617-F652 HydrophobicContact CB-CZ 4.3Å; R617-F652 PolarHBondContact NH1-O 2.93Å
618F98Very high97.7Very high0 Ų034.9 Ų34.90%017%0.172CC..Hα-helixtrans-71.3-34.2173.1-77.9-95.1000112F504 W508 F615 S616 E620 G622 I623 T628 F632 F652F504-F618 AromaticContact CE2-CD2 3.93Å; F504-F618 HydrophobicContact CE2-CD2 3.93Å; F504-F618 AromaticContact CE2-CE2 3.84Å; F504-F618 HydrophobicContact CE2-CE2 3.84Å; F504-F618 AromaticContact CZ-CD2 3.84Å; F504-F618 HydrophobicContact CZ-CD2 3.84Å; F504-F618 AromaticContact CZ-CE2 3.4Å; F504-F618 HydrophobicContact CZ-CE2 3.4Å; F504-F618 AromaticContact CZ-CZ 3.98Å; F504-F618 HydrophobicContact CZ-CZ 3.98Å; W508-F618 HydrophobicContact CH2-CD1 4.49Å; W508-F618 HydrophobicContact CH2-CE1 4.41Å; W508-F618 HydrophobicContact CH2-CZ 4.49Å; W508-F618 HydrophobicContact CZ2-CD1 4.06Å; W508-F618 HydrophobicContact CZ2-CE1 4.14Å; W508-F618 HydrophobicContact CZ2-CG 4.5Å; F615-F618 HydrophobicContact CD2-CB 4.2Å; F615-F618 HydrophobicContact CE2-CB 4.15Å; F615-F618 WeakPolarHBondContact O-CA 3.47Å; F615-F618 VanDerWaalsContact O-CB 3.3Å; F615-F618 WeakPolarHBondContact O-CB 3.26Å; F615-F618 PolarHBondContact O-N 3.32Å; S616-F618 VanDerWaalsContact C-N 3.34Å; S616-F618 PolarHBondContact O-N 2.96Å; F618-E620 VanDerWaalsContact C-N 3.29Å; F618-E620 PolarHBondContact O-N 2.97Å; F618-G622 CarbonylContact O-C 3.55Å; F618-G622 WeakPolarHBondContact O-CA 3.36Å; F618-G622 PolarHBondContact O-N 3.49Å; F618-I623 PolarHBondContact O-N 2.82Å; F618-T628 HydrophobicContact CD1-CG2 4.14Å; F618-T628 HydrophobicContact CD2-CG2 3.74Å; F618-T628 HydrophobicContact CE1-CG2 3.98Å; F618-T628 HydrophobicContact CE2-CG2 3.52Å; F618-T628 HydrophobicContact CG-CG2 4.04Å; F618-T628 HydrophobicContact CZ-CG2 3.68Å; F618-F632 HydrophobicContact CE2-CB 4.47Å; F618-F652 HydrophobicContact CE2-CZ 4.04Å
619E96.5Very high97.8Very high90 Ų9034.1 Ų34.142%0.42117%0.168SC..Hα-helixtrans-63-38.4171.9-62.4175.9137.300111F615 S616 H665F615-E619 HydrophobicContact CD1-CG 3.74Å; F615-E619 HydrophobicContact CE1-CG 3.56Å; F615-E619 PolarHBondContact O-N 3.22Å; F615-E619 VanDerWaalsContact O-N 3.08Å; S616-E619 WeakPolarHBondContact CA-OE2 3.49Å; S616-E619 WeakPolarHBondContact O-CB 3.45Å; S616-E619 PolarHBondContact O-N 3.42Å; E619-H665 IonicContact OE1-CD2 3.55Å; E619-H665 IonicContact OE1-CE1 3.96Å; E619-H665 IonicContact OE1-NE2 3.34Å; E619-H665 PolarHBondContact OE1-NE2 2.87Å; E619-H665 IonicContact OE2-NE2 2.79Å; E619-H665 PolarHBondContact OE2-NE2 3.39Å
620E96.4Very high97.8Very high125 Ų12535.8 Ų35.858%0.58418%0.175SC*.Hα-helixtrans-72.2-43.4177-70.8163.4-174.700113.3S616 R617 F618 R653S616-E620 VanDerWaalsContact O-CG 3.26Å; S616-E620 WeakPolarHBondContact O-CG 3.49Å; S616-E620 PolarHBondContact O-N 2.98Å; R617-E620 PolarHBondContact O-N 3.02Å; F618-E620 VanDerWaalsContact C-N 3.29Å; F618-E620 PolarHBondContact O-N 2.97Å; E620-R653 IonicContact OE1-CZ 2.82Å; E620-R653 IonicContact OE1-NH1 2.77Å; E620-R653 IonicContact OE1-NH2 3.33Å; E620-R653 PolarHBondContact OE1-NH2 3.17Å; E620-R653 IonicContact OE2-CZ 3.83Å; E620-R653 IonicContact OE2-NH1 2.66Å; E620-R653 PolarHBondContact OE2-NH1 3.28Å; E620-R653 IonicContact OE2-NH2 2.81Å; E620-R653 PolarHBondContact OE2-NH2 3.47Å
621E97.4Very high97.8Very high81 Ų8136.7 Ų36.738%0.37918%0.181SC..Hα-helixtrans-103.7-8.3-168.2-63176.5-173.800113.8R617 N625 T628R617-E621 HydrophobicContact CG-CG 4.33Å; R617-E621 WeakPolarHBondContact CG-OE1 3.28Å; R617-E621 IonicContact CZ-OE1 3.76Å; R617-E621 IonicContact CZ-OE2 2.74Å; R617-E621 VanDerWaalsContact NE-CD 3.32Å; R617-E621 IonicContact NE-OE1 3.28Å; R617-E621 PolarHBondContact NE-OE1 3Å; R617-E621 IonicContact NE-OE2 3.5Å; R617-E621 PolarHBondContact NE-OE2 3.18Å; R617-E621 IonicContact NH2-OE1 3.45Å; R617-E621 IonicContact NH2-OE2 3.57Å; R617-E621 PolarHBondContact NH2-OE2 3.21Å; R617-E621 VanDerWaalsContact NH2-OE2 3.11Å; R617-E621 VanDerWaalsContact O-CB 3.29Å; R617-E621 WeakPolarHBondContact O-CB 3.4Å; R617-E621 WeakPolarHBondContact O-CG 3.44Å; R617-E621 PolarHBondContact O-N 2.92Å; E621-N625 PolarHBondContact O-ND2 2.99Å; E621-T628 PolarHBondContact OE2-OG1 3.33Å
622G98Very high97.8Very high33 Ų3336.7 Ų36.734%0.3418%0.182SC..  trans107.8130.9-176.700000113.1F618 F624 N625F618-G622 CarbonylContact O-C 3.55Å; F618-G622 WeakPolarHBondContact O-CA 3.36Å; F618-G622 PolarHBondContact O-N 3.49Å; G622-F624 PolarHBondContact O-N 2.89Å; G622-N625 WeakPolarHBondContact O-CB 3.45Å; G622-N625 PolarHBondContact O-N 3.18Å
623I97.6Very high97.8Very high14 Ų1437.2 Ų37.27%0.07218%0.184CC..THydrogen-bonded Turntrans-64.5-17.1-172.566.9163.4000115.2W508 E511 E513 F615 F618W508-I623 WeakPolarHBondContact CZ2-O 3.25Å; W508-I623 PolarHBondContact NE1-O 3.41Å; E511-I623 HydrophobicContact CB-CD1 3.55Å; E511-I623 HydrophobicContact CG-CB 4.45Å; E511-I623 HydrophobicContact CG-CD1 3.74Å; E511-I623 HydrophobicContact CG-CG2 4.03Å; E513-I623 HydrophobicContact CB-CD1 3.99Å; F615-I623 HydrophobicContact CZ-CG2 4.26Å; F618-I623 PolarHBondContact O-N 2.82Å
624F98.2Very high97.8Very high39 Ų3939.2 Ų39.217%0.17120%0.195CC..THydrogen-bonded Turntrans-117.522.9173.5-66.7-57.2000112.1V369 R372 I373 W508 E513 A514 F517 G622 R626V369-F624 HydrophobicContact CG1-CE1 4.47Å; V369-F624 HydrophobicContact CG2-CE1 4.29Å; R372-F624 HydrophobicContact CB-CD1 3.61Å; R372-F624 HydrophobicContact CB-CE1 4.14Å; R372-F624 HydrophobicContact CB-CG 4.28Å; R372-F624 HydrophobicContact CG-CD1 4.36Å; I373-F624 HydrophobicContact CG2-CD1 3.87Å; I373-F624 HydrophobicContact CG2-CE1 4.4Å; W508-F624 AromaticContact CD1-CE1 3.7Å; W508-F624 AromaticContact CD1-CZ 3.91Å; W508-F624 AromaticContact NE1-CD1 3.98Å; W508-F624 AromaticContact NE1-CE1 3.56Å; E513-F624 HydrophobicContact CB-CE2 4.03Å; A514-F624 HydrophobicContact CB-CZ 3.87Å; F517-F624 HydrophobicContact CE1-CE2 4.03Å; F517-F624 AromaticContact CE1-CZ 3.74Å; F517-F624 HydrophobicContact CE1-CZ 3.74Å; F517-F624 HydrophobicContact CZ-CE1 4.1Å; F517-F624 HydrophobicContact CZ-CE2 4.24Å; F517-F624 AromaticContact CZ-CZ 3.49Å; F517-F624 HydrophobicContact CZ-CZ 3.49Å; F517-F624 VanDerWaalsContact CZ-CZ 3.49Å; G622-F624 PolarHBondContact O-N 2.89Å; F624-R626 PolarHBondContact O-N 2.86Å
625N98.1Very high97.8Very high46 Ų4640.5 Ų40.525%0.24620%0.201CC..  trans-63.7110.3174.4-173.7-40.9000109.7E621 G622 E627 T628 G629E621-N625 PolarHBondContact O-ND2 2.99Å; G622-N625 WeakPolarHBondContact O-CB 3.45Å; G622-N625 PolarHBondContact O-N 3.18Å; N625-E627 VanDerWaalsContact C-N 3.3Å; N625-E627 PolarHBondContact O-N 2.71Å; N625-E627 WeakPolarHBondContact OD1-CA 3.1Å; N625-E627 WeakPolarHBondContact OD1-CB 3.28Å; N625-E627 PolarHBondContact OD1-N 3.16Å; N625-T628 WeakPolarHBondContact CB-OG1 3.31Å; N625-T628 PolarHBondContact O-N 3.42Å; N625-T628 PolarHBondContact OD1-N 2.92Å; N625-T628 VanDerWaalsContact OD1-N 3.1Å; N625-T628 PolarHBondContact OD1-OG1 3.24Å; N625-G629 PolarHBondContact O-N 2.86Å
626R97.6Very high97.8Very high69 Ų6941 Ų4126%0.2620%0.204SC..Hα-helixtrans-65.9-30.8-177.1-176.167.6-176.690.28.6112.5R372 I373 Y374 E399 F624 Q630R372-R626 WeakPolarHBondContact O-CD 3.22Å; I373-R626 PolarHBondContact O-NH1 3.36Å; I373-R626 VanDerWaalsContact O-NH1 3.17Å; Y374-R626 PolarHBondContact O-NH2 3.47Å; E399-R626 IonicContact OE1-NE 3.07Å; E399-R626 IonicContact OE1-NH2 2.79Å; E399-R626 IonicContact OE2-CZ 3.37Å; E399-R626 IonicContact OE2-NH2 3.98Å; E399-R626 PolarHBondContact OE2-NH2 2.83Å; F624-R626 PolarHBondContact O-N 2.86Å; R626-Q630 VanDerWaalsContact O-CB 3.29Å; R626-Q630 WeakPolarHBondContact O-CB 3.41Å; R626-Q630 PolarHBondContact O-N 3.42Å
627E98.2Very high97.9Very high150 Ų15040.5 Ų40.570%0.70120%0.2SC*.Hα-helixtrans-69.1-45.3176.5-175.5178.5173.400110.6N625 Q630 S631N625-E627 VanDerWaalsContact C-N 3.3Å; N625-E627 PolarHBondContact O-N 2.71Å; N625-E627 WeakPolarHBondContact OD1-CA 3.1Å; N625-E627 WeakPolarHBondContact OD1-CB 3.28Å; N625-E627 PolarHBondContact OD1-N 3.16Å; E627-Q630 PolarHBondContact O-N 3.3Å; E627-S631 WeakPolarHBondContact O-CB 3.42Å; E627-S631 PolarHBondContact O-N 2.97Å
628T98.3Very high97.9Very high0 Ų038.9 Ų38.90%019%0.194CC..Hα-helixtrans-62-44.1173.9-40.40000111.2R617 F618 E621 N625 S631 F632 F652R617-T628 HydrophobicContact CB-CG2 4.42Å; R617-T628 HydrophobicContact CG-CG2 3.81Å; F618-T628 HydrophobicContact CD1-CG2 4.14Å; F618-T628 HydrophobicContact CD2-CG2 3.74Å; F618-T628 HydrophobicContact CE1-CG2 3.98Å; F618-T628 HydrophobicContact CE2-CG2 3.52Å; F618-T628 HydrophobicContact CG-CG2 4.04Å; F618-T628 HydrophobicContact CZ-CG2 3.68Å; E621-T628 PolarHBondContact OE2-OG1 3.33Å; N625-T628 WeakPolarHBondContact CB-OG1 3.31Å; N625-T628 PolarHBondContact O-N 3.42Å; N625-T628 PolarHBondContact OD1-N 2.92Å; N625-T628 VanDerWaalsContact OD1-N 3.1Å; N625-T628 PolarHBondContact OD1-OG1 3.24Å; T628-S631 WeakPolarHBondContact O-CB 3.35Å; T628-S631 PolarHBondContact O-N 3.43Å; T628-F632 PolarHBondContact O-N 3.11Å; T628-F652 HydrophobicContact CG2-CE2 4.31Å; T628-F652 HydrophobicContact CG2-CZ 4.26Å
629G98.3Very high97.9Very high0 Ų042.8 Ų42.80%021%0.209CC..Hα-helixtrans-57.9-47.1172.800000113.6I373 Y374 N625 S631 F632 L633I373-G629 CarbonylContact O-C 3.27Å; I373-G629 WeakPolarHBondContact O-CA 3.5Å; Y374-G629 WeakPolarHBondContact CD1-O 3.42Å; Y374-G629 WeakPolarHBondContact CE1-O 3.28Å; N625-G629 PolarHBondContact O-N 2.86Å; G629-S631 VanDerWaalsContact C-N 3.32Å; G629-S631 PolarHBondContact O-N 3.02Å; G629-F632 PolarHBondContact O-N 3.49Å; G629-L633 WeakPolarHBondContact O-CB 3.44Å; G629-L633 PolarHBondContact O-N 2.95Å
630Q98.1Very high97.9Very high48 Ų4838.7 Ų38.722%0.22419%0.191CC..Hα-helixtrans-63.4-40.2175.6-169.255.347.900111.6R626 E627 L633 D634R626-Q630 VanDerWaalsContact O-CB 3.29Å; R626-Q630 WeakPolarHBondContact O-CB 3.41Å; R626-Q630 PolarHBondContact O-N 3.42Å; E627-Q630 PolarHBondContact O-N 3.3Å; Q630-L633 PolarHBondContact O-N 3.3Å; Q630-D634 WeakPolarHBondContact CG-OD2 3.23Å; Q630-D634 PolarHBondContact NE2-OD1 2.58Å; Q630-D634 PolarHBondContact NE2-OD2 2.65Å; Q630-D634 WeakPolarHBondContact O-CB 3.5Å; Q630-D634 PolarHBondContact O-N 2.62Å
631S98.4Very high97.9Very high24 Ų2432.8 Ų32.817%0.16816%0.163CC..Hα-helixtrans-61.6-44.1175.1178.30000111.9R617 E627 T628 G629 D634 N635 F652R617-S631 PolarHBondContact NH1-OG 3.43Å; R617-S631 VanDerWaalsContact NH1-OG 3.08Å; E627-S631 WeakPolarHBondContact O-CB 3.42Å; E627-S631 PolarHBondContact O-N 2.97Å; T628-S631 WeakPolarHBondContact O-CB 3.35Å; T628-S631 PolarHBondContact O-N 3.43Å; G629-S631 VanDerWaalsContact C-N 3.32Å; G629-S631 PolarHBondContact O-N 3.02Å; S631-D634 PolarHBondContact O-N 3.08Å; S631-N635 VanDerWaalsContact O-CB 3.28Å; S631-N635 WeakPolarHBondContact O-CB 3.3Å; S631-N635 PolarHBondContact O-N 2.91Å; S631-N635 PolarHBondContact O-ND2 3.38Å; S631-N635 PolarHBondContact OG-ND2 3.41Å; S631-F652 WeakPolarHBondContact OG-CD2 3.49Å
632F98.5Very high97.9Very high1 Ų129.1 Ų29.10%0.00415%0.147CC..Hα-helixtrans-64.9-43.2176.7-171.1-95000111.5Y374 L500 F504 A614 F618 T628 G629 I636 L637 F652Y374-F632 HydrophobicContact CE1-CD1 4.18Å; Y374-F632 VanDerWaalsContact OH-CD1 3.27Å; Y374-F632 WeakPolarHBondContact OH-CD1 3.09Å; L500-F632 HydrophobicContact CD2-CE2 3.88Å; L500-F632 HydrophobicContact CD2-CZ 3.59Å; F504-F632 HydrophobicContact CB-CZ 4.19Å; F504-F632 HydrophobicContact CD1-CD1 4.35Å; F504-F632 AromaticContact CD1-CE1 3.68Å; F504-F632 HydrophobicContact CD1-CE1 3.68Å; F504-F632 HydrophobicContact CD1-CE2 4.26Å; F504-F632 AromaticContact CD1-CZ 3.62Å; F504-F632 HydrophobicContact CD1-CZ 3.62Å; F504-F632 AromaticContact CD2-CE2 3.88Å; F504-F632 HydrophobicContact CD2-CE2 3.88Å; F504-F632 AromaticContact CD2-CZ 3.99Å; F504-F632 HydrophobicContact CD2-CZ 3.99Å; F504-F632 AromaticContact CE1-CD1 3.91Å; F504-F632 HydrophobicContact CE1-CD1 3.91Å; F504-F632 HydrophobicContact CE1-CD2 4.46Å; F504-F632 AromaticContact CE1-CE1 3.71Å; F504-F632 HydrophobicContact CE1-CE1 3.71Å; F504-F632 HydrophobicContact CE1-CE2 4.29Å; F504-F632 HydrophobicContact CE1-CG 4.28Å; F504-F632 AromaticContact CE1-CZ 3.91Å; F504-F632 HydrophobicContact CE1-CZ 3.91Å; F504-F632 HydrophobicContact CE2-CD2 4.1Å; F504-F632 AromaticContact CE2-CE2 3.9Å; F504-F632 HydrophobicContact CE2-CE2 3.9Å; F504-F632 HydrophobicContact CE2-CZ 4.24Å; F504-F632 HydrophobicContact CG-CE1 4.2Å; F504-F632 HydrophobicContact CG-CE2 4.05Å; F504-F632 AromaticContact CG-CZ 3.65Å; F504-F632 HydrophobicContact CG-CZ 3.65Å; F504-F632 HydrophobicContact CZ-CD1 4.21Å; F504-F632 HydrophobicContact CZ-CD2 4.05Å; F504-F632 HydrophobicContact CZ-CE1 4.25Å; F504-F632 HydrophobicContact CZ-CE2 4.09Å; F504-F632 HydrophobicContact CZ-CG 4.09Å; F504-F632 HydrophobicContact CZ-CZ 4.19Å; A614-F632 HydrophobicContact CB-CE2 4.11Å; F618-F632 HydrophobicContact CE2-CB 4.47Å; T628-F632 PolarHBondContact O-N 3.11Å; G629-F632 PolarHBondContact O-N 3.49Å; F632-I636 HydrophobicContact CD1-CB 4.49Å; F632-I636 HydrophobicContact CD2-CB 4.37Å; F632-I636 HydrophobicContact CD2-CG1 3.9Å; F632-I636 HydrophobicContact CE1-CB 4.31Å; F632-I636 HydrophobicContact CE1-CG2 4.34Å; F632-I636 HydrophobicContact CE2-CB 4.19Å; F632-I636 HydrophobicContact CE2-CG1 3.84Å; F632-I636 HydrophobicContact CE2-CG2 4.32Å; F632-I636 HydrophobicContact CG-CG1 4.43Å; F632-I636 HydrophobicContact CZ-CB 4.16Å; F632-I636 HydrophobicContact CZ-CG1 4.32Å; F632-I636 HydrophobicContact CZ-CG2 3.99Å; F632-I636 WeakPolarHBondContact O-CA 3.45Å; F632-I636 WeakPolarHBondContact O-CB 3.26Å; F632-I636 PolarHBondContact O-N 3.27Å; F632-L637 HydrophobicContact CD1-CD1 3.94Å; F632-L637 HydrophobicContact CD1-CG 3.86Å; F632-L637 HydrophobicContact CE1-CD1 3.98Å; F632-L637 HydrophobicContact CE1-CD2 3.89Å; F632-L637 HydrophobicContact CE1-CG 3.67Å; F632-L637 PolarHBondContact O-N 3.38Å; F632-F652 HydrophobicContact CB-CD2 4.02Å; F632-F652 HydrophobicContact CB-CE2 3.6Å; F632-F652 HydrophobicContact CB-CZ 4.16Å; F632-F652 HydrophobicContact CD2-CD1 4.19Å; F632-F652 HydrophobicContact CD2-CD2 4.18Å; F632-F652 AromaticContact CD2-CE1 3.95Å; F632-F652 HydrophobicContact CD2-CE1 3.95Å; F632-F652 AromaticContact CD2-CE2 3.95Å; F632-F652 HydrophobicContact CD2-CE2 3.95Å; F632-F652 HydrophobicContact CD2-CG 4.31Å; F632-F652 AromaticContact CD2-CZ 3.83Å; F632-F652 HydrophobicContact CD2-CZ 3.83Å; F632-F652 HydrophobicContact CG-CE2 4.29Å; F632-F652 HydrophobicContact CG-CZ 4.48Å
633L98.1Very high97.9Very high11 Ų1129.8 Ų29.86%0.05814%0.141CC..Iπ-helixtrans-58.4-49.4174.1175.258.5000111.8Y374 L479 G629 Q630 N635 L637 S638Y374-L633 HydrophobicContact CD1-CB 3.9Å; Y374-L633 HydrophobicContact CE1-CB 4.27Å; L479-L633 HydrophobicContact CB-CD1 3.93Å; L479-L633 HydrophobicContact CD1-CD1 3.88Å; G629-L633 WeakPolarHBondContact O-CB 3.44Å; G629-L633 PolarHBondContact O-N 2.95Å; Q630-L633 PolarHBondContact O-N 3.3Å; L633-N635 PolarHBondContact O-N 2.96Å; L633-L637 HydrophobicContact CD1-CB 3.93Å; L633-L637 HydrophobicContact CD1-CD1 4.37Å; L633-S638 WeakPolarHBondContact O-CB 3.47Å; L633-S638 PolarHBondContact O-N 3.27Å; L633-S638 PolarHBondContact O-OG 2.76Å
634D97.9Very high97.9Very high44 Ų4433 Ų3324%0.23516%0.156CC..Iπ-helixtrans-73.7-24-174.9-74.1-29.4000113.8R481 Q630 S631 S638 R639R481-D634 IonicContact NH1-OD1 3.13Å; R481-D634 PolarHBondContact NH1-OD1 2.81Å; Q630-D634 WeakPolarHBondContact CG-OD2 3.23Å; Q630-D634 PolarHBondContact NE2-OD1 2.58Å; Q630-D634 PolarHBondContact NE2-OD2 2.65Å; Q630-D634 WeakPolarHBondContact O-CB 3.5Å; Q630-D634 PolarHBondContact O-N 2.62Å; S631-D634 PolarHBondContact O-N 3.08Å; D634-S638 WeakPolarHBondContact CA-OG 3.45Å; D634-S638 PolarHBondContact O-OG 2.79Å; D634-R639 PolarHBondContact O-NE 2.97Å; D634-R639 PolarHBondContact O-NH2 3.23Å
635N98.1Very high97.9Very high27 Ų2731.8 Ų31.814%0.14415%0.152CC..Iπ-helixtrans-105.4-22.6-177.5-67.5-69.6000114.2S631 L633 L648 R651 F652S631-N635 VanDerWaalsContact O-CB 3.28Å; S631-N635 WeakPolarHBondContact O-CB 3.3Å; S631-N635 PolarHBondContact O-N 2.91Å; S631-N635 PolarHBondContact O-ND2 3.38Å; S631-N635 PolarHBondContact OG-ND2 3.41Å; L633-N635 PolarHBondContact O-N 2.96Å; N635-L648 WeakPolarHBondContact O-CB 3.42Å; N635-L648 WeakPolarHBondContact O-CD2 3.47Å; N635-R651 HydrophobicContact CB-CB 4.49Å; N635-R651 WeakPolarHBondContact OD1-CB 3.38Å; N635-F652 HydrophobicContact CB-CB 4Å
636I98.1Very high97.8Very high11 Ų1132.2 Ų32.26%0.05615%0.153CC..Iπ-helixtrans-119.9-73.9-177.2-52.7-64.7000110L500 P501 F632 S638 R639 L648 F652L500-I636 HydrophobicContact CD2-CG2 3.82Å; P501-I636 HydrophobicContact CG-CG2 4.42Å; F632-I636 HydrophobicContact CD1-CB 4.49Å; F632-I636 HydrophobicContact CD2-CB 4.37Å; F632-I636 HydrophobicContact CD2-CG1 3.9Å; F632-I636 HydrophobicContact CE1-CB 4.31Å; F632-I636 HydrophobicContact CE1-CG2 4.34Å; F632-I636 HydrophobicContact CE2-CB 4.19Å; F632-I636 HydrophobicContact CE2-CG1 3.84Å; F632-I636 HydrophobicContact CE2-CG2 4.32Å; F632-I636 HydrophobicContact CG-CG1 4.43Å; F632-I636 HydrophobicContact CZ-CB 4.16Å; F632-I636 HydrophobicContact CZ-CG1 4.32Å; F632-I636 HydrophobicContact CZ-CG2 3.99Å; F632-I636 WeakPolarHBondContact O-CA 3.45Å; F632-I636 WeakPolarHBondContact O-CB 3.26Å; F632-I636 PolarHBondContact O-N 3.27Å; I636-S638 VanDerWaalsContact C-N 3.3Å; I636-S638 PolarHBondContact O-N 3.05Å; I636-R639 PolarHBondContact O-N 3.07Å; I636-L648 HydrophobicContact CD1-CB 3.94Å; I636-F652 HydrophobicContact CD1-CB 4.43Å; I636-F652 HydrophobicContact CG1-CB 4.41Å
637L98Very high97.8Very high2 Ų232.8 Ų32.81%0.0116%0.161CC..Iπ-helixtrans-61.1-35.7-168.7-61.7177000113.7Y374 L475 H476 L479 P501 F632 L633 R639Y374-L637 HydrophobicContact CD2-CD1 4.37Å; Y374-L637 HydrophobicContact CE1-CD1 4.06Å; Y374-L637 HydrophobicContact CE2-CD1 3.72Å; L475-L637 HydrophobicContact CB-CD1 4.39Å; L475-L637 HydrophobicContact CB-CD2 4.42Å; H476-L637 HydrophobicContact CB-CD2 4.16Å; L479-L637 HydrophobicContact CD1-CD1 4.38Å; P501-L637 HydrophobicContact CB-CD2 3.74Å; P501-L637 HydrophobicContact CG-CD2 4.1Å; F632-L637 HydrophobicContact CD1-CD1 3.94Å; F632-L637 HydrophobicContact CD1-CG 3.86Å; F632-L637 HydrophobicContact CE1-CD1 3.98Å; F632-L637 HydrophobicContact CE1-CD2 3.89Å; F632-L637 HydrophobicContact CE1-CG 3.67Å; F632-L637 PolarHBondContact O-N 3.38Å; L633-L637 HydrophobicContact CD1-CB 3.93Å; L633-L637 HydrophobicContact CD1-CD1 4.37Å; L637-R639 VanDerWaalsContact C-N 3.27Å; L637-R639 PolarHBondContact O-N 3.23Å
638S97.7Very high97.8Very high1 Ų126 Ų261%0.00713%0.13CC..THydrogen-bonded Turntrans-80.7-6-177.866.60000114R481 L633 D634 I636R481-S638 PolarHBondContact N-O 3Å; L633-S638 WeakPolarHBondContact O-CB 3.47Å; L633-S638 PolarHBondContact O-N 3.27Å; L633-S638 PolarHBondContact O-OG 2.76Å; D634-S638 WeakPolarHBondContact CA-OG 3.45Å; D634-S638 PolarHBondContact O-OG 2.79Å; I636-S638 VanDerWaalsContact C-N 3.3Å; I636-S638 PolarHBondContact O-N 3.05Å
639R97.9Very high97.8Very high83 Ų8326.1 Ų26.131%0.31313%0.13SC..THydrogen-bonded Turntrans-104.7-15-166.5-62.5-67.3177.8173.3-1.1114.8I482 D634 I636 L637 G641 S642 L648I482-R639 WeakPolarHBondContact CG1-O 3.27Å; D634-R639 PolarHBondContact O-NE 2.97Å; D634-R639 PolarHBondContact O-NH2 3.23Å; I636-R639 PolarHBondContact O-N 3.07Å; L637-R639 VanDerWaalsContact C-N 3.27Å; L637-R639 PolarHBondContact O-N 3.23Å; R639-G641 PolarHBondContact O-N 3.24Å; R639-S642 VanDerWaalsContact O-CB 3.29Å; R639-S642 WeakPolarHBondContact O-CB 3.26Å; R639-S642 PolarHBondContact O-N 3.43Å; R639-S642 VanDerWaalsContact O-N 3.1Å; R639-S642 PolarHBondContact O-OG 3.48Å; R639-L648 HydrophobicContact CB-CD1 4.21Å; R639-L648 HydrophobicContact CB-CD2 3.5Å; R639-L648 HydrophobicContact CG-CD2 3.6Å
640G96.4Very high97.8Very high4 Ų429.5 Ų29.54%0.04115%0.145CC..THydrogen-bonded Turntrans44.9-139.4-179.800000112.9G489 S642G489-G640 WeakPolarHBondContact O-CA 3.32Å; G640-S642 VanDerWaalsContact C-N 3.29Å; G640-S642 PolarHBondContact O-N 3.39Å
641G97.4Very high97.8Very high0 Ų031.9 Ų31.90%015%0.152CC..THydrogen-bonded Turntrans-85.216.617700000115.5K128 V487 S491 R639 E643K128-G641 VanDerWaalsContact CG-O 3.23Å; K128-G641 WeakPolarHBondContact CG-O 3.26Å; V487-G641 WeakPolarHBondContact CG1-O 3.44Å; V487-G641 PolarHBondContact O-N 2.82Å; S491-G641 PolarHBondContact O-N 3.12Å; R639-G641 PolarHBondContact O-N 3.24Å; G641-E643 PolarHBondContact O-N 2.95Å
642S97.8Very high97.8Very high4 Ų430.9 Ų30.93%0.02815%0.145CC..SBendtrans-76.2-19.2-169.466.20000115.2K128 I482 R639 G640K128-S642 WeakPolarHBondContact CB-O 3.49Å; K128-S642 WeakPolarHBondContact CG-O 3.35Å; I482-S642 WeakPolarHBondContact CD1-OG 3.38Å; R639-S642 VanDerWaalsContact O-CB 3.29Å; R639-S642 WeakPolarHBondContact O-CB 3.26Å; R639-S642 PolarHBondContact O-N 3.43Å; R639-S642 VanDerWaalsContact O-N 3.1Å; R639-S642 PolarHBondContact O-OG 3.48Å; G640-S642 VanDerWaalsContact C-N 3.29Å; G640-S642 PolarHBondContact O-N 3.39Å
643E97.9Very high97.8Very high48 Ų4832.5 Ų32.522%0.22415%0.151CC..SBendtrans-144.7165.3179.2-65-179.4-95.400109T124 G641 L648 R651T124-E643 HydrophobicContact CG2-CG 3.6Å; G641-E643 PolarHBondContact O-N 2.95Å; E643-L648 HydrophobicContact CB-CD1 4.5Å; E643-L648 HydrophobicContact CB-CD2 4.16Å; E643-L648 HydrophobicContact CB-CG 4.19Å; E643-R651 IonicContact OE1-CZ 2.7Å; E643-R651 IonicContact OE1-NH1 3.9Å; E643-R651 PolarHBondContact OE1-NH1 2.77Å; E643-R651 IonicContact OE1-NH2 2.67Å; E643-R651 PolarHBondContact OE1-NH2 3.41Å; E643-R651 IonicContact OE2-CZ 3.43Å; E643-R651 IonicContact OE2-NH1 3.49Å; E643-R651 PolarHBondContact OE2-NH1 3.14Å; E643-R651 IonicContact OE2-NH2 3.62Å; E643-R651 PolarHBondContact OE2-NH2 3.33Å
644E96.9Very high97.7Very high81 Ų8135.3 Ų35.338%0.37918%0.182SC..  trans-66.1135.8-179.1-60.7-54.5145.600111.6K128 M646 D647 L648K128-E644 IonicContact NZ-OE1 3.71Å; K128-E644 PolarHBondContact NZ-OE1 2.91Å; K128-E644 IonicContact NZ-OE2 3.48Å; E644-M646 PolarHBondContact O-N 2.86Å; E644-M646 VanDerWaalsContact O-N 3.13Å; E644-D647 HydrophobicContact CB-CB 4.49Å; E644-D647 PolarHBondContact O-N 3.47Å; E644-L648 WeakPolarHBondContact O-CG 3.02Å; E644-L648 PolarHBondContact O-N 3.39Å
645P97.1Very high97.7Very high13 Ų1336.5 Ų36.58%0.08418%0.183CC..Hα-helixtrans-55.1-34.1179-28.235.1000113.8M287 P494 A497 L648 F649M287-P645 HydrophobicContact CE-CB 4.05Å; M287-P645 HydrophobicContact CG-CB 4.27Å; M287-P645 HydrophobicContact CG-CG 4.15Å; M287-P645 HydrophobicContact SD-CB 3.73Å; M287-P645 HydrophobicContact SD-CG 4.17Å; P494-P645 HydrophobicContact CB-CG 4.02Å; P494-P645 HydrophobicContact CG-CG 3.61Å; A497-P645 HydrophobicContact CB-CB 3.56Å; A497-P645 HydrophobicContact CB-CG 3.58Å; P645-L648 PolarHBondContact O-N 3.34Å; P645-F649 VanDerWaalsContact O-CB 3.26Å; P645-F649 WeakPolarHBondContact O-CB 3.23Å; P645-F649 PolarHBondContact O-N 2.97Å
646M97.1Very high97.6Very high55 Ų5540.8 Ų40.827%0.27120%0.202SC..Hα-helixtrans-65.8-38.5177-175.654.573.200112.1M287 E644 K650 E656 P657M287-M646 HydrophobicContact CE-CB 4.04Å; M287-M646 HydrophobicContact CE-CE 3.92Å; E644-M646 PolarHBondContact O-N 2.86Å; E644-M646 VanDerWaalsContact O-N 3.13Å; M646-K650 VanDerWaalsContact CG-CE 3.5Å; M646-K650 WeakPolarHBondContact O-CG 3.47Å; M646-K650 PolarHBondContact O-N 3.29Å; M646-K650 HydrophobicContact SD-CG 4.46Å; M646-E656 HydrophobicContact SD-CG 3.98Å; M646-P657 HydrophobicContact CE-CG 4.08Å; M646-P657 HydrophobicContact SD-CG 4.31Å
647D97.8Very high97.5Very high81 Ų8141.8 Ų41.843%0.43321%0.21SC..Hα-helixtrans-72-38.7176.7-67-29.7000111.5E644 K650 R651E644-D647 HydrophobicContact CB-CB 4.49Å; E644-D647 PolarHBondContact O-N 3.47Å; D647-K650 PolarHBondContact O-N 3.45Å; D647-R651 WeakPolarHBondContact O-CG 3.5Å; D647-R651 PolarHBondContact O-N 2.85Å
648L98.1Very high97.3Very high9 Ų946.1 Ų46.15%0.04723%0.23CC..Hα-helixtrans-59.8-47.2172.8-66.9170.4000110.9N635 I636 R639 E643 E644 P645 R651 F652N635-L648 WeakPolarHBondContact O-CB 3.42Å; N635-L648 WeakPolarHBondContact O-CD2 3.47Å; I636-L648 HydrophobicContact CD1-CB 3.94Å; R639-L648 HydrophobicContact CB-CD1 4.21Å; R639-L648 HydrophobicContact CB-CD2 3.5Å; R639-L648 HydrophobicContact CG-CD2 3.6Å; E643-L648 HydrophobicContact CB-CD1 4.5Å; E643-L648 HydrophobicContact CB-CD2 4.16Å; E643-L648 HydrophobicContact CB-CG 4.19Å; E644-L648 WeakPolarHBondContact O-CG 3.02Å; E644-L648 PolarHBondContact O-N 3.39Å; P645-L648 PolarHBondContact O-N 3.34Å; L648-R651 PolarHBondContact O-N 3.06Å; L648-F652 PolarHBondContact O-N 2.98Å; L648-F652 VanDerWaalsContact O-N 3.13Å
649F98.3Very high97.1Very high1 Ų147.7 Ų47.70%0.00424%0.238CC..Hα-helixtrans-62.1-48.5176.6-171.8-84.2000112L500 L610 D613 A614 P645 R651 F652 R653 R655 P657L500-F649 HydrophobicContact CD1-CD2 4.32Å; L610-F649 HydrophobicContact CB-CD2 4.34Å; L610-F649 HydrophobicContact CB-CE2 4.24Å; L610-F649 HydrophobicContact CD2-CD2 4.3Å; L610-F649 HydrophobicContact CD2-CE2 4.48Å; L610-F649 WeakPolarHBondContact O-CE2 3.31Å; D613-F649 HydrophobicContact CB-CZ 4.08Å; A614-F649 HydrophobicContact CB-CE2 4.06Å; P645-F649 VanDerWaalsContact O-CB 3.26Å; P645-F649 WeakPolarHBondContact O-CB 3.23Å; P645-F649 PolarHBondContact O-N 2.97Å; F649-R651 VanDerWaalsContact C-N 3.29Å; F649-R651 PolarHBondContact O-N 3.26Å; F649-F652 CarbonylContact O-C 3.55Å; F649-F652 PolarHBondContact O-N 3.17Å; F649-R653 HydrophobicContact CD1-CB 4.06Å; F649-R653 HydrophobicContact CE1-CB 3.56Å; F649-R653 HydrophobicContact CE1-CG 3.86Å; F649-R653 HydrophobicContact CZ-CB 3.95Å; F649-R653 HydrophobicContact CZ-CG 4.06Å; F649-R653 PolarHBondContact O-N 2.88Å; F649-R655 WeakPolarHBondContact CD1-O 3.46Å; F649-R655 WeakPolarHBondContact CE1-O 3.41Å; F649-P657 HydrophobicContact CD1-CG 3.68Å; F649-P657 HydrophobicContact CD2-CG 4.39Å; F649-P657 HydrophobicContact CE1-CB 3.98Å; F649-P657 HydrophobicContact CE1-CG 3.61Å; F649-P657 HydrophobicContact CE2-CG 4.33Å; F649-P657 HydrophobicContact CG-CG 4.08Å; F649-P657 HydrophobicContact CZ-CB 4.01Å; F649-P657 HydrophobicContact CZ-CG 3.96Å
650K98.4Very high96.9Very high72 Ų7248.9 Ų48.931%0.31325%0.251SS..Hα-helixtrans-61.5-36178.3-73.6-174.6-142.6-162.40112.4M646 D647 F652 G654 E656M646-K650 VanDerWaalsContact CG-CE 3.5Å; M646-K650 WeakPolarHBondContact O-CG 3.47Å; M646-K650 PolarHBondContact O-N 3.29Å; M646-K650 HydrophobicContact SD-CG 4.46Å; D647-K650 PolarHBondContact O-N 3.45Å; K650-F652 VanDerWaalsContact C-N 3.32Å; K650-G654 WeakPolarHBondContact O-CA 3.27Å; K650-G654 PolarHBondContact O-N 2.92Å; K650-E656 HydrophobicContact CD-CG 4.13Å; K650-E656 VanDerWaalsContact CE-CG 3.4Å; K650-E656 HydrophobicContact CG-CG 4.39Å; K650-E656 IonicContact NZ-OE1 3.86Å; K650-E656 PolarHBondContact NZ-OE1 2.95Å
651R98Very high96.8Very high98 Ų9849.2 Ų49.237%0.3725%0.252SS..Hα-helixtrans-64.9-36.5173.5-78.2-173.4-71.2-173.3-8.2112.5N635 E643 D647 L648 F649N635-R651 HydrophobicContact CB-CB 4.49Å; N635-R651 WeakPolarHBondContact OD1-CB 3.38Å; E643-R651 IonicContact OE1-CZ 2.7Å; E643-R651 IonicContact OE1-NH1 3.9Å; E643-R651 PolarHBondContact OE1-NH1 2.77Å; E643-R651 IonicContact OE1-NH2 2.67Å; E643-R651 PolarHBondContact OE1-NH2 3.41Å; E643-R651 IonicContact OE2-CZ 3.43Å; E643-R651 IonicContact OE2-NH1 3.49Å; E643-R651 PolarHBondContact OE2-NH1 3.14Å; E643-R651 IonicContact OE2-NH2 3.62Å; E643-R651 PolarHBondContact OE2-NH2 3.33Å; D647-R651 WeakPolarHBondContact O-CG 3.5Å; D647-R651 PolarHBondContact O-N 2.85Å; L648-R651 PolarHBondContact O-N 3.06Å; F649-R651 VanDerWaalsContact C-N 3.29Å; F649-R651 PolarHBondContact O-N 3.26Å
652F98.4Very high96.8Very high3 Ų349.2 Ų49.21%0.01325%0.252CS..Hα-helixtrans-75.2-52.3177.2172.8-106.5000113.1A614 R617 F618 T628 S631 F632 N635 I636 L648 F649 K650A614-F652 HydrophobicContact CB-CD1 4.2Å; A614-F652 HydrophobicContact CB-CE1 3.76Å; A614-F652 WeakPolarHBondContact O-CE1 3.5Å; R617-F652 HydrophobicContact CB-CE1 4.44Å; R617-F652 HydrophobicContact CB-CZ 4.3Å; R617-F652 PolarHBondContact NH1-O 2.93Å; F618-F652 HydrophobicContact CE2-CZ 4.04Å; T628-F652 HydrophobicContact CG2-CE2 4.31Å; T628-F652 HydrophobicContact CG2-CZ 4.26Å; S631-F652 WeakPolarHBondContact OG-CD2 3.49Å; F632-F652 HydrophobicContact CB-CD2 4.02Å; F632-F652 HydrophobicContact CB-CE2 3.6Å; F632-F652 HydrophobicContact CB-CZ 4.16Å; F632-F652 HydrophobicContact CD2-CD1 4.19Å; F632-F652 HydrophobicContact CD2-CD2 4.18Å; F632-F652 AromaticContact CD2-CE1 3.95Å; F632-F652 HydrophobicContact CD2-CE1 3.95Å; F632-F652 AromaticContact CD2-CE2 3.95Å; F632-F652 HydrophobicContact CD2-CE2 3.95Å; F632-F652 HydrophobicContact CD2-CG 4.31Å; F632-F652 AromaticContact CD2-CZ 3.83Å; F632-F652 HydrophobicContact CD2-CZ 3.83Å; F632-F652 HydrophobicContact CG-CE2 4.29Å; F632-F652 HydrophobicContact CG-CZ 4.48Å; N635-F652 HydrophobicContact CB-CB 4Å; I636-F652 HydrophobicContact CD1-CB 4.43Å; I636-F652 HydrophobicContact CG1-CB 4.41Å; L648-F652 PolarHBondContact O-N 2.98Å; L648-F652 VanDerWaalsContact O-N 3.13Å; F649-F652 CarbonylContact O-C 3.55Å; F649-F652 PolarHBondContact O-N 3.17Å; K650-F652 VanDerWaalsContact C-N 3.32Å
653R97.3Very high96.7Very high35 Ų3549.7 Ų49.713%0.13226%0.255CS..Hα-helixtrans-90.1-18.5-172.6-168.656.9176.6125.2-8.7113.5D613 S616 E620 F649 R655D613-R653 PolarHBondContact O-NE 3.25Å; D613-R653 IonicContact OD1-NE 3.67Å; D613-R653 PolarHBondContact OD1-NE 3.01Å; D613-R653 IonicContact OD1-NH2 3.31Å; S616-R653 PolarHBondContact OG-NH2 3.39Å; E620-R653 IonicContact OE1-CZ 2.82Å; E620-R653 IonicContact OE1-NH1 2.77Å; E620-R653 IonicContact OE1-NH2 3.33Å; E620-R653 PolarHBondContact OE1-NH2 3.17Å; E620-R653 IonicContact OE2-CZ 3.83Å; E620-R653 IonicContact OE2-NH1 2.66Å; E620-R653 PolarHBondContact OE2-NH1 3.28Å; E620-R653 IonicContact OE2-NH2 2.81Å; E620-R653 PolarHBondContact OE2-NH2 3.47Å; F649-R653 HydrophobicContact CD1-CB 4.06Å; F649-R653 HydrophobicContact CE1-CB 3.56Å; F649-R653 HydrophobicContact CE1-CG 3.86Å; F649-R653 HydrophobicContact CZ-CB 3.95Å; F649-R653 HydrophobicContact CZ-CG 4.06Å; F649-R653 PolarHBondContact O-N 2.88Å; R653-R655 HydrophobicContact CG-CG 4.01Å; R653-R655 VanDerWaalsContact CZ-NH2 3.29Å; R653-R655 VanDerWaalsContact NE-NH2 3.17Å; R653-R655 PolarHBondContact O-N 3.37Å
654G97.1Very high96.5Very high69 Ų6954.5 Ų54.571%0.71128%0.277SS*.SBendtrans80.6-1.5-175.700000114.6K650K650-G654 WeakPolarHBondContact O-CA 3.27Å; K650-G654 PolarHBondContact O-N 2.92Å
655R97.1Very high96.4Very high70 Ų7051.5 Ų51.526%0.26426%0.263SS..SBendtrans-155.5172.7-177.757.4167.6179.171.4-1.5111.2D613 F649 R653 Q658D613-R655 IonicContact OD1-CZ 2.58Å; D613-R655 IonicContact OD1-NH1 3.54Å; D613-R655 PolarHBondContact OD1-NH1 3.45Å; D613-R655 IonicContact OD1-NH2 2.94Å; D613-R655 PolarHBondContact OD1-NH2 3.34Å; D613-R655 IonicContact OD2-CZ 3.96Å; D613-R655 IonicContact OD2-NH1 2.83Å; D613-R655 PolarHBondContact OD2-NH1 2.96Å; D613-R655 IonicContact OD2-NH2 3.92Å; F649-R655 WeakPolarHBondContact CD1-O 3.46Å; F649-R655 WeakPolarHBondContact CE1-O 3.41Å; R653-R655 HydrophobicContact CG-CG 4.01Å; R653-R655 VanDerWaalsContact CZ-NH2 3.29Å; R653-R655 VanDerWaalsContact NE-NH2 3.17Å; R653-R655 PolarHBondContact O-N 3.37Å; R655-Q658 VanDerWaalsContact CZ-OE1 3.23Å
656E96.7Very high96.3Very high117 Ų11752.9 Ų52.955%0.54727%0.267SS..  trans-67.2155.5170.8-77.3173.6-16700112.1M646 K650M646-E656 HydrophobicContact SD-CG 3.98Å; K650-E656 HydrophobicContact CD-CG 4.13Å; K650-E656 VanDerWaalsContact CE-CG 3.4Å; K650-E656 HydrophobicContact CG-CG 4.39Å; K650-E656 IonicContact NZ-OE1 3.86Å; K650-E656 PolarHBondContact NZ-OE1 2.95Å
657P95.9Very high96.1Very high32 Ų3251.3 Ų51.321%0.20827%0.265CS..  trans-59.3143.8176.9-19.429.1000112.9V609 L610 D613 M646 F649V609-P657 HydrophobicContact CG1-CB 4.17Å; L610-P657 HydrophobicContact CD2-CB 3.7Å; L610-P657 HydrophobicContact CD2-CG 3.19Å; D613-P657 WeakPolarHBondContact OD2-CA 3.45Å; M646-P657 HydrophobicContact CE-CG 4.08Å; M646-P657 HydrophobicContact SD-CG 4.31Å; F649-P657 HydrophobicContact CD1-CG 3.68Å; F649-P657 HydrophobicContact CD2-CG 4.39Å; F649-P657 HydrophobicContact CE1-CB 3.98Å; F649-P657 HydrophobicContact CE1-CG 3.61Å; F649-P657 HydrophobicContact CE2-CG 4.33Å; F649-P657 HydrophobicContact CG-CG 4.08Å; F649-P657 HydrophobicContact CZ-CB 4.01Å; F649-P657 HydrophobicContact CZ-CG 3.96Å
658Q94.3Very high95.9Very high92 Ų9248 Ų4843%0.4325%0.247SC..  trans-118.1135.5175.7-73.4179.1-25.200111.2D613 R655 D660D613-Q658 PolarHBondContact OD2-N 2.91Å; R655-Q658 VanDerWaalsContact CZ-OE1 3.23Å; Q658-D660 PolarHBondContact O-N 3.49Å
659L93.8Very high95.1Very high34 Ų3457.1 Ų57.118%0.17829%0.287CS..Hα-helixtrans-66.3-26.5179.8-170.260000112.8F297 L301 V609 A661 M662 L663F297-L659 HydrophobicContact CE2-CD1 4.31Å; L301-L659 HydrophobicContact CD2-CD1 3.9Å; L301-L659 HydrophobicContact CD2-CD2 4.14Å; L301-L659 HydrophobicContact CD2-CG 4.43Å; V609-L659 HydrophobicContact CG1-CD1 4.44Å; V609-L659 HydrophobicContact CG2-CD1 3.47Å; V609-L659 VanDerWaalsContact CG2-CD1 3.47Å; L659-A661 VanDerWaalsContact C-N 3.32Å; L659-A661 PolarHBondContact O-N 3.18Å; L659-M662 HydrophobicContact CD1-CE 4.08Å; L659-M662 HydrophobicContact CD1-SD 4.49Å; L659-M662 PolarHBondContact O-N 3.42Å; L659-L663 HydrophobicContact CD2-CD1 4.21Å; L659-L663 HydrophobicContact CG-CD1 4.04Å; L659-L663 HydrophobicContact CG-CG 4.09Å; L659-L663 PolarHBondContact O-N 2.85Å; L659-L663 VanDerWaalsContact O-N 3.14Å
660D93.8Very high93.6Very high109 Ų10960.6 Ų60.658%0.58332%0.323SS*.Hα-helixtrans-56.2-41.7-172.1-57.7-96.6000112.9Q658 M662 L663 E664Q658-D660 PolarHBondContact O-N 3.49Å; D660-M662 PolarHBondContact O-N 2.77Å; D660-L663 PolarHBondContact O-N 3.34Å; D660-E664 WeakPolarHBondContact O-CB 3.41Å; D660-E664 PolarHBondContact O-N 2.98Å
661A94.2Very high93.3Very high10 Ų1060.1 Ų60.18%0.08332%0.323CS..Hα-helixtrans-61.1-44.9179.900000111.7A612 D613 L659 L663 E664 H665A612-A661 HydrophobicContact CB-CB 4.17Å; D613-A661 HydrophobicContact CB-CB 4.12Å; L659-A661 VanDerWaalsContact C-N 3.32Å; L659-A661 PolarHBondContact O-N 3.18Å; A661-L663 PolarHBondContact O-N 3.32Å; A661-E664 PolarHBondContact O-N 2.93Å; A661-H665 WeakPolarHBondContact O-CB 3.37Å; A661-H665 PolarHBondContact O-CD2 3.35Å; A661-H665 VanDerWaalsContact O-CG 3.28Å; A661-H665 PolarHBondContact O-N 3.48Å
662M96.2Very high93.1Very high0 Ų058.1 Ų58.10%032%0.321CS..Hα-helixtrans-63-44.7176.7-166.9-16485.700111L301 D608 V609 A612 L659 D660 E664 H665 Y666L301-M662 HydrophobicContact CD1-CE 4.01Å; L301-M662 HydrophobicContact CD2-CE 3.5Å; L301-M662 VanDerWaalsContact CD2-CE 3.5Å; L301-M662 HydrophobicContact CG-CE 4.42Å; D608-M662 HydrophobicContact CB-CG 4.38Å; D608-M662 HydrophobicContact CB-SD 3.99Å; V609-M662 HydrophobicContact CG2-CB 4.47Å; V609-M662 HydrophobicContact CG2-SD 3.61Å; A612-M662 HydrophobicContact CB-CB 4.01Å; L659-M662 HydrophobicContact CD1-CE 4.08Å; L659-M662 HydrophobicContact CD1-SD 4.49Å; L659-M662 PolarHBondContact O-N 3.42Å; D660-M662 PolarHBondContact O-N 2.77Å; M662-E664 VanDerWaalsContact C-N 3.33Å; M662-E664 PolarHBondContact O-N 3.19Å; M662-H665 PolarHBondContact O-N 3.04Å; M662-Y666 HydrophobicContact CG-CD2 3.89Å; M662-Y666 HydrophobicContact CG-CE2 3.72Å; M662-Y666 WeakPolarHBondContact O-CD2 3.36Å; M662-Y666 PolarHBondContact O-N 3.49Å; M662-Y666 HydrophobicContact SD-CE2 4.44Å
663L96.2Very high92.8Very high15 Ų1561.1 Ų61.18%0.07934%0.338CS..Hα-helixtrans-62.5-41.1178.3-64.2176.3000111.9L301 L659 D660 A661 Y666 G667 I668L301-L663 HydrophobicContact CD2-CD2 4.17Å; L659-L663 HydrophobicContact CD2-CD1 4.21Å; L659-L663 HydrophobicContact CG-CD1 4.04Å; L659-L663 HydrophobicContact CG-CG 4.09Å; L659-L663 PolarHBondContact O-N 2.85Å; L659-L663 VanDerWaalsContact O-N 3.14Å; D660-L663 PolarHBondContact O-N 3.34Å; A661-L663 PolarHBondContact O-N 3.32Å; L663-Y666 PolarHBondContact O-N 3.15Å; L663-G667 PolarHBondContact O-N 3.02Å; L663-I668 HydrophobicContact CB-CB 4.41Å; L663-I668 HydrophobicContact CD2-CB 3.98Å; L663-I668 HydrophobicContact CD2-CD1 4.28Å; L663-I668 HydrophobicContact CD2-CG2 3.88Å; L663-I668 PolarHBondContact O-N 2.71Å
664E94.4Very high92.5Very high148 Ų14862.6 Ų62.669%0.69235%0.35SS*.Hα-helixtrans-62.7-45.4174.7-179.8165.6-165.700111.6D660 A661 M662 Y666 G667D660-E664 WeakPolarHBondContact O-CB 3.41Å; D660-E664 PolarHBondContact O-N 2.98Å; A661-E664 PolarHBondContact O-N 2.93Å; M662-E664 VanDerWaalsContact C-N 3.33Å; M662-E664 PolarHBondContact O-N 3.19Å; E664-Y666 VanDerWaalsContact C-N 3.29Å; E664-Y666 PolarHBondContact O-N 2.92Å; E664-G667 PolarHBondContact O-N 3.27Å
665H94.3Very high92.2Very high18 Ų1862.3 Ų62.38%0.08333%0.327CS..Hα-helixtrans-58.5-39.2178.2-77.2-164.9000112.5N541 F615 E619 A661 M662N541-H665 PolarHBondContact ND2-O 2.99Å; N541-H665 PolarHBondContact OD1-O 3.1Å; F615-H665 AromaticContact CD1-CE1 3.91Å; E619-H665 IonicContact OE1-CD2 3.55Å; E619-H665 IonicContact OE1-CE1 3.96Å; E619-H665 IonicContact OE1-NE2 3.34Å; E619-H665 PolarHBondContact OE1-NE2 2.87Å; E619-H665 IonicContact OE2-NE2 2.79Å; E619-H665 PolarHBondContact OE2-NE2 3.39Å; A661-H665 WeakPolarHBondContact O-CB 3.37Å; A661-H665 PolarHBondContact O-CD2 3.35Å; A661-H665 VanDerWaalsContact O-CG 3.28Å; A661-H665 PolarHBondContact O-N 3.48Å; M662-H665 PolarHBondContact O-N 3.04Å
666Y94.4Very high91.9Very high42 Ų4261.7 Ų61.717%0.16533%0.332CS..THydrogen-bonded Turntrans-86.4-1.9174-70.5-69.9000114.4A544 F547 I548 D608 M662 L663 E664 I668A544-Y666 HydrophobicContact CB-CD1 4.09Å; A544-Y666 WeakPolarHBondContact CB-O 3.36Å; F547-Y666 HydrophobicContact CD1-CE1 4.03Å; F547-Y666 HydrophobicContact CE1-CE1 4.08Å; I548-Y666 HydrophobicContact CD1-CD1 4.11Å; I548-Y666 HydrophobicContact CD1-CD2 3.88Å; I548-Y666 HydrophobicContact CD1-CE1 3.84Å; I548-Y666 HydrophobicContact CD1-CE2 3.64Å; I548-Y666 HydrophobicContact CD1-CG 4.13Å; I548-Y666 HydrophobicContact CG1-CD1 3.98Å; I548-Y666 HydrophobicContact CG1-CD2 4.2Å; I548-Y666 HydrophobicContact CG1-CE1 4.15Å; I548-Y666 HydrophobicContact CG1-CE2 4.41Å; I548-Y666 HydrophobicContact CG1-CG 4Å; D608-Y666 WeakPolarHBondContact OD2-CE2 3.38Å; D608-Y666 VanDerWaalsContact OD2-CZ 3.27Å; D608-Y666 PolarHBondContact OD2-OH 3.19Å; M662-Y666 HydrophobicContact CG-CD2 3.89Å; M662-Y666 HydrophobicContact CG-CE2 3.72Å; M662-Y666 WeakPolarHBondContact O-CD2 3.36Å; M662-Y666 PolarHBondContact O-N 3.49Å; M662-Y666 HydrophobicContact SD-CE2 4.44Å; L663-Y666 PolarHBondContact O-N 3.15Å; E664-Y666 VanDerWaalsContact C-N 3.29Å; E664-Y666 PolarHBondContact O-N 2.92Å; Y666-I668 PolarHBondContact O-N 3.43Å
667G94.2Very high91.6Very high23 Ų2357.8 Ų57.824%0.23732%0.316CS..THydrogen-bonded Turntrans64.525.5-176.900000114.4Q308 N541 L663 E664Q308-G667 PolarHBondContact OE1-O 3.08Å; N541-G667 PolarHBondContact ND2-N 2.81Å; L663-G667 PolarHBondContact O-N 3.02Å; E664-G667 PolarHBondContact O-N 3.27Å
668I93.3Very high91.2Very high10 Ų1059.8 Ų59.85%0.05133%0.325CS..  trans-82.5117.5177.9-62.3173.3000109.1R304 A305 I548 L663 Y666R304-I668 HydrophobicContact CB-CG2 4.25Å; A305-I668 HydrophobicContact CB-CD1 4.09Å; I548-I668 HydrophobicContact CG1-CD1 4.19Å; I548-I668 HydrophobicContact CG2-CD1 4.42Å; L663-I668 HydrophobicContact CB-CB 4.41Å; L663-I668 HydrophobicContact CD2-CB 3.98Å; L663-I668 HydrophobicContact CD2-CD1 4.28Å; L663-I668 HydrophobicContact CD2-CG2 3.88Å; L663-I668 PolarHBondContact O-N 2.71Å; Y666-I668 PolarHBondContact O-N 3.43Å
669K81.8Confident91Very high202 Ų20257.1 Ų57.188%0.87832%0.316SS*.  trans-94.84.1-175.2-60.7-177.2179.6-178.20114.8
670G65.2Low90.7Very high74 Ų7459.2 Ų59.276%0.76333%0.328SS*.  trans-900-162.500000116.8R304R304-G670 WeakPolarHBondContact CG-O 3.29Å; R304-G670 PolarHBondContact NH1-O 2.77Å

Retrieved 670 of 670 residues in 256.6 ms (Link to these results)

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