A0A077YY45_TRITR Loading...

CCR4-NOT transcription complex subunit 11

AlphaFold DB , UniProt , Accession A0A077YY45, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 752 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
1M57.6Low68.9Low98 Ų9870.1 Ų70.148%0.48338%0.381SS..  0-67.30-84.7-57.8-70.800111.3D3 L4 T5 F14 A17M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 3.26Å; M1-L4 PolarHBondContact O-N 2.78Å; M1-L4 VanDerWaalsContact O-N 3.09Å; M1-T5 PolarHBondContact O-N 3.02Å; M1-F14 HydrophobicContact CE-CB 4.44Å; M1-F14 HydrophobicContact CE-CD2 3.68Å; M1-F14 HydrophobicContact CE-CE2 4.39Å; M1-F14 HydrophobicContact CE-CG 4.42Å; M1-A17 HydrophobicContact CE-CB 4.43Å; M1-A17 HydrophobicContact SD-CB 3.28Å; M1-A17 WeakPolarHBondContact SD-CB 3.35Å
2E64.6Low69.8Low125 Ų12567.9 Ų67.958%0.58437%0.368SS*.Hα-helixtrans-50-44.8-171-72.5-175.4-144.700115.4L4 T5 K6E2-L4 VanDerWaalsContact C-N 3.32Å; E2-L4 PolarHBondContact O-N 2.92Å; E2-T5 WeakPolarHBondContact CA-OG1 3.45Å; E2-T5 PolarHBondContact O-N 3.36Å; E2-T5 VanDerWaalsContact O-N 3.12Å; E2-T5 PolarHBondContact O-OG1 2.96Å; E2-K6 HydrophobicContact CB-CD 4.45Å; E2-K6 WeakPolarHBondContact O-CB 3.35Å; E2-K6 VanDerWaalsContact O-CG 3.29Å; E2-K6 WeakPolarHBondContact O-CG 3.5Å; E2-K6 PolarHBondContact O-N 3.49Å; E2-K6 WeakPolarHBondContact OE2-CE 3.4Å; E2-K6 IonicContact OE2-NZ 2.82Å; E2-K6 PolarHBondContact OE2-NZ 3.48Å
3D64.7Low70.7Confident40 Ų4062.7 Ų62.721%0.21434%0.34CS..Hα-helixtrans-55.2-45.4179.8-62.4-82.3000112.6M1 T5 K6 L7 R57M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 3.26Å; D3-T5 PolarHBondContact O-N 3.12Å; D3-K6 PolarHBondContact O-N 3.5Å; D3-L7 VanDerWaalsContact O-CB 3.3Å; D3-L7 WeakPolarHBondContact O-CB 3.29Å; D3-L7 WeakPolarHBondContact O-CD1 3.4Å; D3-L7 VanDerWaalsContact O-CG 3.25Å; D3-L7 WeakPolarHBondContact O-CG 3.41Å; D3-L7 PolarHBondContact O-N 3.5Å; D3-R57 IonicContact OD1-NH1 3.55Å; D3-R57 PolarHBondContact OD1-NH1 3.46Å; D3-R57 VanDerWaalsContact OD1-NH1 3.12Å
4L67.9Low71.7Confident9 Ų966.7 Ų66.75%0.04735%0.353CS..Hα-helixtrans-65.5-39.6178.2-71.4172.3000111.3M1 E2 L7 M8 V16 A17 V54M1-L4 PolarHBondContact O-N 2.78Å; M1-L4 VanDerWaalsContact O-N 3.09Å; E2-L4 VanDerWaalsContact C-N 3.32Å; E2-L4 PolarHBondContact O-N 2.92Å; L4-L7 PolarHBondContact O-N 3.02Å; L4-M8 HydrophobicContact CD2-SD 4.37Å; L4-M8 WeakPolarHBondContact O-CB 3.44Å; L4-M8 VanDerWaalsContact O-CG 3.3Å; L4-M8 WeakPolarHBondContact O-CG 3.41Å; L4-M8 PolarHBondContact O-N 2.69Å; L4-V16 HydrophobicContact CD1-CB 4.34Å; L4-V16 HydrophobicContact CD1-CG1 3.99Å; L4-V16 HydrophobicContact CD2-CG1 4.15Å; L4-A17 HydrophobicContact CD1-CB 3.9Å; L4-V54 HydrophobicContact CD2-CG2 3.68Å; L4-V54 HydrophobicContact CG-CG2 3.84Å
5T71Confident72.6Confident47 Ų4765.1 Ų65.129%0.28835%0.349SS..Hα-helixtrans-71.7-28.9176.9510000113.2M1 E2 D3 G9M1-T5 PolarHBondContact O-N 3.02Å; E2-T5 WeakPolarHBondContact CA-OG1 3.45Å; E2-T5 PolarHBondContact O-N 3.36Å; E2-T5 VanDerWaalsContact O-N 3.12Å; E2-T5 PolarHBondContact O-OG1 2.96Å; D3-T5 PolarHBondContact O-N 3.12Å; T5-G9 CarbonylContact O-C 3.43Å; T5-G9 VanDerWaalsContact O-CA 3.26Å; T5-G9 WeakPolarHBondContact O-CA 3.25Å; T5-G9 PolarHBondContact O-N 3.33Å
6K66.2Low73.4Confident140 Ų14061.1 Ų61.161%0.60933%0.328SS*.Hα-helixtrans-74.7-33.6173-70.4167.9-172.91700111.9E2 D3E2-K6 HydrophobicContact CB-CD 4.45Å; E2-K6 WeakPolarHBondContact O-CB 3.35Å; E2-K6 VanDerWaalsContact O-CG 3.29Å; E2-K6 WeakPolarHBondContact O-CG 3.5Å; E2-K6 PolarHBondContact O-N 3.49Å; E2-K6 WeakPolarHBondContact OE2-CE 3.4Å; E2-K6 IonicContact OE2-NZ 2.82Å; E2-K6 PolarHBondContact OE2-NZ 3.48Å; D3-K6 PolarHBondContact O-N 3.5Å
7L64.6Low74Confident46 Ų4658.2 Ų58.224%0.24132%0.315CS..Hα-helixtrans-80-31.1177.5-76.2164.6000113.9D3 L4 H53D3-L7 VanDerWaalsContact O-CB 3.3Å; D3-L7 WeakPolarHBondContact O-CB 3.29Å; D3-L7 WeakPolarHBondContact O-CD1 3.4Å; D3-L7 VanDerWaalsContact O-CG 3.25Å; D3-L7 WeakPolarHBondContact O-CG 3.41Å; D3-L7 PolarHBondContact O-N 3.5Å; L4-L7 PolarHBondContact O-N 3.02Å; L7-H53 HydrophobicContact CD1-CB 3.99Å
8M70.3Confident74.7Confident26 Ų2664.1 Ų64.113%0.12833%0.331CS..Hα-helixtrans-129.7-4.6-164.4-50-16681.800115.7L4 L12 V16 I46 V47 S50L4-M8 HydrophobicContact CD2-SD 4.37Å; L4-M8 WeakPolarHBondContact O-CB 3.44Å; L4-M8 VanDerWaalsContact O-CG 3.3Å; L4-M8 WeakPolarHBondContact O-CG 3.41Å; L4-M8 PolarHBondContact O-N 2.69Å; M8-L12 HydrophobicContact CB-CB 4.24Å; M8-L12 HydrophobicContact CB-CD2 4.43Å; M8-L12 HydrophobicContact CB-CG 4.29Å; M8-L12 HydrophobicContact CE-CD1 4.48Å; M8-L12 HydrophobicContact CE-CD2 3.48Å; M8-L12 VanDerWaalsContact CE-CD2 3.48Å; M8-L12 HydrophobicContact CE-CG 3.58Å; M8-L12 HydrophobicContact SD-CG 4.19Å; M8-V16 HydrophobicContact SD-CG2 3.98Å; M8-I46 HydrophobicContact CE-CB 4.26Å; M8-I46 HydrophobicContact CE-CG2 3.87Å; M8-V47 VanDerWaalsContact CE-CA 3.43Å; M8-V47 HydrophobicContact CE-CB 4.14Å; M8-V47 HydrophobicContact CE-CG2 3.68Å; M8-S50 VanDerWaalsContact CG-OG 3.24Å; M8-S50 WeakPolarHBondContact CG-OG 3.38Å; M8-S50 VanDerWaalsContact SD-CB 3.51Å; M8-S50 PolarHBondContact SD-OG 2.99Å
9G75.6Confident75.4Confident38 Ų3860.7 Ų60.739%0.39231%0.314SS..  trans78.3167.4-16300000113T5 D11 G13T5-G9 CarbonylContact O-C 3.43Å; T5-G9 VanDerWaalsContact O-CA 3.26Å; T5-G9 WeakPolarHBondContact O-CA 3.25Å; T5-G9 PolarHBondContact O-N 3.33Å; G9-D11 PolarHBondContact O-N 3.37Å; G9-G13 PolarHBondContact O-N 3.2Å; G9-G13 VanDerWaalsContact O-N 3.09Å
10S75.5Confident75.9Confident76 Ų7658.4 Ų58.453%0.53130%0.302SS..Hα-helixtrans-55.5-55.1-172.945.50000113.4G13 F14S10-G13 PolarHBondContact O-N 3.02Å; S10-F14 VanDerWaalsContact O-CB 3.26Å; S10-F14 WeakPolarHBondContact O-CB 3.45Å; S10-F14 PolarHBondContact O-N 3.03Å
11D79.4Confident76.3Confident126 Ų12660 Ų6067%0.67432%0.318SS*.Hα-helixtrans-76.6-39.9-160.6-55.82.7000111.2G9 S15G9-D11 PolarHBondContact O-N 3.37Å; D11-S15 VanDerWaalsContact O-CB 3.31Å; D11-S15 WeakPolarHBondContact O-CB 3.3Å; D11-S15 PolarHBondContact O-N 3.43Å; D11-S15 PolarHBondContact O-OG 3.25Å
12L80.6Confident77.5Confident44 Ų4459.4 Ų59.423%0.2332%0.321CS..Hα-helixtrans-74.6-41.3176.2-172.454.9000110.9M8 F14 S15 V16 F39 V47M8-L12 HydrophobicContact CB-CB 4.24Å; M8-L12 HydrophobicContact CB-CD2 4.43Å; M8-L12 HydrophobicContact CB-CG 4.29Å; M8-L12 HydrophobicContact CE-CD1 4.48Å; M8-L12 HydrophobicContact CE-CD2 3.48Å; M8-L12 VanDerWaalsContact CE-CD2 3.48Å; M8-L12 HydrophobicContact CE-CG 3.58Å; M8-L12 HydrophobicContact SD-CG 4.19Å; L12-F14 PolarHBondContact O-N 2.96Å; L12-S15 WeakPolarHBondContact O-CB 3.02Å; L12-S15 PolarHBondContact O-N 2.62Å; L12-V16 WeakPolarHBondContact O-CG2 3.4Å; L12-V16 PolarHBondContact O-N 3.15Å; L12-F39 HydrophobicContact CD1-CD1 4Å; L12-F39 HydrophobicContact CD1-CE1 3.92Å; L12-V47 HydrophobicContact CD1-CG2 4.04Å; L12-V47 HydrophobicContact CG-CG2 4.48Å
13G81.2Confident78.2Confident0 Ų055 Ų550%030%0.3CS..Hα-helixtrans-61.1-41.7174.700000113G9 S10 A17G9-G13 PolarHBondContact O-N 3.2Å; G9-G13 VanDerWaalsContact O-N 3.09Å; S10-G13 PolarHBondContact O-N 3.02Å; G13-A17 WeakPolarHBondContact O-CB 3.27Å; G13-A17 PolarHBondContact O-N 3.2Å
14F84.1Confident78.8Confident119 Ų11953.8 Ų53.852%0.52230%0.296SS..Hα-helixtrans-65.6-41173-170.3-82.7000111.8M1 S10 L12 V16 A17 R18M1-F14 HydrophobicContact CE-CB 4.44Å; M1-F14 HydrophobicContact CE-CD2 3.68Å; M1-F14 HydrophobicContact CE-CE2 4.39Å; M1-F14 HydrophobicContact CE-CG 4.42Å; S10-F14 VanDerWaalsContact O-CB 3.26Å; S10-F14 WeakPolarHBondContact O-CB 3.45Å; S10-F14 PolarHBondContact O-N 3.03Å; L12-F14 PolarHBondContact O-N 2.96Å; F14-V16 PolarHBondContact O-N 2.92Å; F14-A17 PolarHBondContact O-N 2.89Å; F14-R18 VanDerWaalsContact O-CB 3.28Å; F14-R18 WeakPolarHBondContact O-CB 3.44Å; F14-R18 PolarHBondContact O-N 2.94Å
15S85.6Confident79.4Confident42 Ų4259.7 Ų59.729%0.29432%0.324SS..Hα-helixtrans-61.4-42.9177.6-66.20000112.7D11 L12 F19 Q38D11-S15 VanDerWaalsContact O-CB 3.31Å; D11-S15 WeakPolarHBondContact O-CB 3.3Å; D11-S15 PolarHBondContact O-N 3.43Å; D11-S15 PolarHBondContact O-OG 3.25Å; L12-S15 WeakPolarHBondContact O-CB 3.02Å; L12-S15 PolarHBondContact O-N 2.62Å; S15-F19 WeakPolarHBondContact O-CB 3.25Å; S15-F19 PolarHBondContact O-N 2.81Å; S15-F19 VanDerWaalsContact O-N 3.08Å; S15-Q38 PolarHBondContact O-NE2 3.29Å
16V85.3Confident80.1Confident1 Ų159.1 Ų59.11%0.00632%0.32CS..Hα-helixtrans-67.7-46.7175.71750000111.1L4 M8 L12 F14 R18 F19 L20 F39 V47 I51L4-V16 HydrophobicContact CD1-CB 4.34Å; L4-V16 HydrophobicContact CD1-CG1 3.99Å; L4-V16 HydrophobicContact CD2-CG1 4.15Å; M8-V16 HydrophobicContact SD-CG2 3.98Å; L12-V16 WeakPolarHBondContact O-CG2 3.4Å; L12-V16 PolarHBondContact O-N 3.15Å; F14-V16 PolarHBondContact O-N 2.92Å; V16-R18 VanDerWaalsContact C-N 3.33Å; V16-R18 PolarHBondContact O-N 3.18Å; V16-F19 PolarHBondContact O-N 3.41Å; V16-L20 HydrophobicContact CG1-CD1 4.1Å; V16-L20 HydrophobicContact CG1-CG 4.39Å; V16-L20 WeakPolarHBondContact O-CG 3.39Å; V16-L20 PolarHBondContact O-N 3.21Å; V16-F39 HydrophobicContact CG2-CE1 3.7Å; V16-F39 HydrophobicContact CG2-CZ 3.82Å; V16-V47 HydrophobicContact CG1-CG1 4.39Å; V16-V47 HydrophobicContact CG2-CB 4.3Å; V16-V47 HydrophobicContact CG2-CG1 3.62Å; V16-V47 HydrophobicContact CG2-CG2 3.92Å; V16-I51 HydrophobicContact CG1-CD1 4.26Å; V16-I51 HydrophobicContact CG1-CG1 3.93Å
17A83.6Confident81.1Confident13 Ų1354.2 Ų54.211%0.10730%0.302CS..Hα-helixtrans-63.3-38.5179.200000112.8M1 L4 G13 F14 S21M1-A17 HydrophobicContact CE-CB 4.43Å; M1-A17 HydrophobicContact SD-CB 3.28Å; M1-A17 WeakPolarHBondContact SD-CB 3.35Å; L4-A17 HydrophobicContact CD1-CB 3.9Å; G13-A17 WeakPolarHBondContact O-CB 3.27Å; G13-A17 PolarHBondContact O-N 3.2Å; F14-A17 PolarHBondContact O-N 2.89Å; A17-S21 WeakPolarHBondContact O-CB 3.46Å; A17-S21 PolarHBondContact O-N 2.85Å; A17-S21 PolarHBondContact O-OG 2.86Å
18R86.3Confident82Confident163 Ų16352 Ų5262%0.61529%0.29SS*.Hα-helixtrans-61.9-50.1173.2-177.3175.4-179.6168.41.2110.7F14 V16 L20 S21 T22F14-R18 VanDerWaalsContact O-CB 3.28Å; F14-R18 WeakPolarHBondContact O-CB 3.44Å; F14-R18 PolarHBondContact O-N 2.94Å; V16-R18 VanDerWaalsContact C-N 3.33Å; V16-R18 PolarHBondContact O-N 3.18Å; R18-L20 PolarHBondContact O-N 3.26Å; R18-S21 PolarHBondContact O-N 3.37Å; R18-T22 HydrophobicContact CG-CG2 4.14Å; R18-T22 WeakPolarHBondContact O-CG2 3.28Å; R18-T22 PolarHBondContact O-N 3.42Å; R18-T22 PolarHBondContact O-OG1 3.13Å; R18-T22 VanDerWaalsContact O-OG1 3.11Å
19F88.1Confident82.7Confident1 Ų154.4 Ų54.40%0.00430%0.302CS..Hα-helixtrans-56.8-49.9179176.8-93.8000112.3S15 V16 S21 T22 H23 I31 F35 Q38 F39 I69 V73S15-F19 WeakPolarHBondContact O-CB 3.25Å; S15-F19 PolarHBondContact O-N 2.81Å; S15-F19 VanDerWaalsContact O-N 3.08Å; V16-F19 PolarHBondContact O-N 3.41Å; F19-S21 PolarHBondContact O-N 2.97Å; F19-S21 VanDerWaalsContact O-N 3.15Å; F19-T22 PolarHBondContact O-N 2.94Å; F19-T22 PolarHBondContact O-OG1 3.32Å; F19-H23 AromaticContact CD2-CD2 3.33Å; F19-H23 WeakPolarHBondContact CD2-CD2 3.44Å; F19-H23 AromaticContact CD2-NE2 3.57Å; F19-H23 AromaticContact CE2-CD2 3.3Å; F19-H23 WeakPolarHBondContact CE2-CD2 3.49Å; F19-H23 AromaticContact CE2-NE2 3.43Å; F19-H23 WeakPolarHBondContact CE2-NE2 3.44Å; F19-H23 AromaticContact CZ-CD2 3.96Å; F19-H23 PolarHBondContact O-CD2 3.02Å; F19-I31 HydrophobicContact CE1-CG2 4.45Å; F19-I31 HydrophobicContact CZ-CG2 3.97Å; F19-I31 WeakPolarHBondContact CZ-O 3.5Å; F19-F35 HydrophobicContact CD1-CD2 4.48Å; F19-F35 HydrophobicContact CE1-CB 4.25Å; F19-F35 AromaticContact CE1-CD2 4Å; F19-F35 HydrophobicContact CE1-CD2 4Å; F19-F35 HydrophobicContact CE2-CB 4.24Å; F19-F35 HydrophobicContact CZ-CB 3.69Å; F19-F35 HydrophobicContact CZ-CD2 4.26Å; F19-F35 HydrophobicContact CZ-CG 4.5Å; F19-Q38 VanDerWaalsContact CD2-OE1 3.28Å; F19-F39 HydrophobicContact CB-CE2 4.22Å; F19-F39 HydrophobicContact CB-CZ 4.29Å; F19-F39 HydrophobicContact CD1-CE2 4.34Å; F19-F39 HydrophobicContact CD2-CE2 4.34Å; F19-F39 HydrophobicContact CG-CE2 4.03Å; F19-I69 HydrophobicContact CE1-CG2 4.16Å; F19-V73 HydrophobicContact CE1-CG2 3.95Å; F19-V73 HydrophobicContact CZ-CG2 4.37Å
20L85.8Confident83.2Confident13 Ų1357.2 Ų57.27%0.06830%0.304CS..Hα-helixtrans-62.3-22177.2-65.9177.7000113.5V16 R18 I51 A66 I69V16-L20 HydrophobicContact CG1-CD1 4.1Å; V16-L20 HydrophobicContact CG1-CG 4.39Å; V16-L20 WeakPolarHBondContact O-CG 3.39Å; V16-L20 PolarHBondContact O-N 3.21Å; R18-L20 PolarHBondContact O-N 3.26Å; L20-I51 HydrophobicContact CD1-CG1 4.41Å; L20-I51 HydrophobicContact CD2-CD1 4.48Å; L20-A66 HydrophobicContact CB-CB 4.19Å; L20-A66 WeakPolarHBondContact O-CB 3.37Å; L20-I69 HydrophobicContact CD2-CB 4.4Å; L20-I69 HydrophobicContact CD2-CG2 3.84Å
21S83.6Confident83.8Confident93 Ų9353.6 Ų53.665%0.6528%0.279SS*.Hα-helixtrans-93.5-29.5-178.9-56.10000113.8A17 R18 F19A17-S21 WeakPolarHBondContact O-CB 3.46Å; A17-S21 PolarHBondContact O-N 2.85Å; A17-S21 PolarHBondContact O-OG 2.86Å; R18-S21 PolarHBondContact O-N 3.37Å; F19-S21 PolarHBondContact O-N 2.97Å; F19-S21 VanDerWaalsContact O-N 3.15Å
22T82.8Confident84.1Confident86 Ų8647.7 Ų47.753%0.52825%0.248SC..Hα-helixtrans-86.1-18.8-17549.80000114.4R18 F19R18-T22 HydrophobicContact CG-CG2 4.14Å; R18-T22 WeakPolarHBondContact O-CG2 3.28Å; R18-T22 PolarHBondContact O-N 3.42Å; R18-T22 PolarHBondContact O-OG1 3.13Å; R18-T22 VanDerWaalsContact O-OG1 3.11Å; F19-T22 PolarHBondContact O-N 2.94Å; F19-T22 PolarHBondContact O-OG1 3.32Å
23H80.6Confident84.3Confident33 Ų3348.2 Ų48.215%0.15325%0.251CS..  trans-96.818.1-164.8-87.9-66.9000115.8F19 E25 T26 I31 I69F19-H23 AromaticContact CD2-CD2 3.33Å; F19-H23 WeakPolarHBondContact CD2-CD2 3.44Å; F19-H23 AromaticContact CD2-NE2 3.57Å; F19-H23 AromaticContact CE2-CD2 3.3Å; F19-H23 WeakPolarHBondContact CE2-CD2 3.49Å; F19-H23 AromaticContact CE2-NE2 3.43Å; F19-H23 WeakPolarHBondContact CE2-NE2 3.44Å; F19-H23 AromaticContact CZ-CD2 3.96Å; F19-H23 PolarHBondContact O-CD2 3.02Å; H23-E25 VanDerWaalsContact C-N 3.3Å; H23-E25 PolarHBondContact O-N 3.33Å; H23-T26 PolarHBondContact ND1-OG1 2.96Å; H23-T26 PolarHBondContact O-OG1 3.07Å; H23-T26 VanDerWaalsContact O-OG1 3.07Å; H23-I31 HydrophobicContact CB-CD1 4.36Å; H23-I31 HydrophobicContact CB-CG1 3.99Å; H23-I31 WeakPolarHBondContact O-CD1 3.29Å; H23-I69 HydrophobicContact CB-CD1 3.98Å
24G77.2Confident84.5Confident13 Ų1348.6 Ų48.613%0.13426%0.255CS..SBendtrans-68.5-22.2-177.300000115.7S65 R136G24-S65 WeakPolarHBondContact CA-OG 3.4Å; G24-R136 WeakPolarHBondContact O-CB 3.35Å; G24-R136 PolarHBondContact O-N 2.88Å
25E79.5Confident84.7Confident133 Ų13343 Ų4362%0.62123%0.23SC*.SBendtrans-112.5-7.7-174.8-53.5-166.4136.200113.9H23 T134 R136H23-E25 VanDerWaalsContact C-N 3.3Å; H23-E25 PolarHBondContact O-N 3.33Å; E25-T134 VanDerWaalsContact O-CG2 3.25Å; E25-T134 WeakPolarHBondContact O-CG2 3.39Å; E25-R136 IonicContact OE1-CZ 3.02Å; E25-R136 IonicContact OE1-NH1 3.73Å; E25-R136 PolarHBondContact OE1-NH1 3.35Å
26T85.6Confident84.6Confident35 Ų3545.2 Ų45.222%0.21523%0.232CC..SBendtrans-80.1152.5172.345.90000111H23 I31 P135H23-T26 PolarHBondContact ND1-OG1 2.96Å; H23-T26 PolarHBondContact O-OG1 3.07Å; H23-T26 VanDerWaalsContact O-OG1 3.07Å; T26-I31 VanDerWaalsContact OG1-CG1 3.25Å; T26-I31 WeakPolarHBondContact OG1-CG1 3.41Å; T26-P135 VanDerWaalsContact O-CD 3.22Å; T26-P135 WeakPolarHBondContact O-CD 3.22Å
27T86.9Confident84.6Confident37 Ų3754.1 Ų54.123%0.22727%0.266CS..  trans-65.6152.5174.260.40000111.6Q29 E30 I31 R133 T134T27-Q29 PolarHBondContact O-N 3.15Å; T27-E30 PolarHBondContact N-OE2 2.91Å; T27-E30 WeakPolarHBondContact O-CB 3.25Å; T27-E30 PolarHBondContact O-N 3.33Å; T27-E30 VanDerWaalsContact OG1-CD 3.3Å; T27-E30 VanDerWaalsContact OG1-CG 3.22Å; T27-E30 WeakPolarHBondContact OG1-CG 3.22Å; T27-E30 PolarHBondContact OG1-N 3.38Å; T27-E30 PolarHBondContact OG1-OE2 2.97Å; T27-I31 VanDerWaalsContact O-CG1 3.27Å; T27-I31 WeakPolarHBondContact O-CG1 3.4Å; T27-I31 PolarHBondContact O-N 2.98Å; T27-R133 CarbonylContact C-O 3.51Å; T27-R133 VanDerWaalsContact CA-O 3.3Å; T27-R133 WeakPolarHBondContact CA-O 3.2Å; T27-T134 HydrophobicContact CG2-CG2 4.49Å
28F84.9Confident84.6Confident0 Ų057.5 Ų57.50%028%0.279CS..Hα-helixtrans-57.2-33.1178.2-77.6-69.6000113.2I31 S32 I68 Y72 F118 L130 A131 R133 P135 L138F28-I31 HydrophobicContact CD1-CD1 4.11Å; F28-I31 WeakPolarHBondContact O-CB 3.44Å; F28-I31 PolarHBondContact O-N 2.91Å; F28-S32 PolarHBondContact O-N 3.19Å; F28-I68 HydrophobicContact CE1-CG2 3.94Å; F28-I68 HydrophobicContact CZ-CG2 3.65Å; F28-Y72 HydrophobicContact CB-CD1 4.23Å; F28-Y72 HydrophobicContact CB-CD2 4.32Å; F28-Y72 HydrophobicContact CB-CE1 3.82Å; F28-Y72 HydrophobicContact CB-CE2 3.92Å; F28-Y72 HydrophobicContact CB-CG 4.46Å; F28-Y72 AromaticContact CD1-CD1 3.57Å; F28-Y72 HydrophobicContact CD1-CD1 3.57Å; F28-Y72 AromaticContact CD1-CD2 3.69Å; F28-Y72 HydrophobicContact CD1-CD2 3.69Å; F28-Y72 HydrophobicContact CD1-CE1 4.06Å; F28-Y72 HydrophobicContact CD1-CE2 4.17Å; F28-Y72 AromaticContact CD1-CG 3.35Å; F28-Y72 HydrophobicContact CD1-CG 3.35Å; F28-Y72 HydrophobicContact CE1-CD1 4.42Å; F28-Y72 HydrophobicContact CE1-CD2 4.26Å; F28-Y72 AromaticContact CE1-CG 3.89Å; F28-Y72 HydrophobicContact CE1-CG 3.89Å; F28-Y72 HydrophobicContact CG-CD1 4.33Å; F28-Y72 HydrophobicContact CG-CD2 4.14Å; F28-Y72 HydrophobicContact CG-CE1 4.39Å; F28-Y72 HydrophobicContact CG-CE2 4.21Å; F28-Y72 HydrophobicContact CG-CG 4.2Å; F28-Y72 WeakPolarHBondContact O-CE1 3.38Å; F28-F118 HydrophobicContact CE1-CE1 4.49Å; F28-F118 HydrophobicContact CE1-CE2 4.2Å; F28-F118 AromaticContact CE1-CZ 3.7Å; F28-F118 HydrophobicContact CE1-CZ 3.7Å; F28-F118 HydrophobicContact CE2-CE2 4.1Å; F28-F118 HydrophobicContact CE2-CZ 4.4Å; F28-F118 AromaticContact CZ-CE2 3.66Å; F28-F118 HydrophobicContact CZ-CE2 3.66Å; F28-F118 AromaticContact CZ-CZ 3.64Å; F28-F118 HydrophobicContact CZ-CZ 3.64Å; F28-L130 WeakPolarHBondContact CD2-O 3.28Å; F28-A131 PolarHBondContact N-O 3Å; F28-R133 HydrophobicContact CD2-CB 3.98Å; F28-R133 WeakPolarHBondContact CD2-O 3.29Å; F28-R133 HydrophobicContact CE2-CB 4.16Å; F28-R133 PolarHBondContact N-O 3.45Å; F28-P135 HydrophobicContact CE1-CG 3.89Å; F28-P135 HydrophobicContact CE2-CG 4.44Å; F28-P135 HydrophobicContact CZ-CB 4.21Å; F28-P135 HydrophobicContact CZ-CG 3.83Å; F28-L138 HydrophobicContact CE2-CD1 3.54Å; F28-L138 HydrophobicContact CE2-CG 4.32Å; F28-L138 HydrophobicContact CZ-CD1 3.86Å
29Q84.8Confident84.6Confident77 Ų7750 Ų5036%0.3625%0.251SS..Hα-helixtrans-60.1-50.9170.7-174.559.841.900112.3T27 I31 S32 D33 A131T27-Q29 PolarHBondContact O-N 3.15Å; Q29-I31 PolarHBondContact O-N 3.31Å; Q29-S32 PolarHBondContact O-N 3.34Å; Q29-D33 PolarHBondContact NE2-OD2 3.18Å; Q29-D33 PolarHBondContact O-N 2.81Å; Q29-A131 HydrophobicContact CB-CB 4.31Å; Q29-A131 PolarHBondContact N-O 2.82Å
30E86.7Confident84.1Confident96 Ų9659.2 Ų59.245%0.44929%0.286SS..Hα-helixtrans-62.6-32.1178.3-71.4168.4126.400112.7T27 G34T27-E30 PolarHBondContact N-OE2 2.91Å; T27-E30 WeakPolarHBondContact O-CB 3.25Å; T27-E30 PolarHBondContact O-N 3.33Å; T27-E30 VanDerWaalsContact OG1-CD 3.3Å; T27-E30 VanDerWaalsContact OG1-CG 3.22Å; T27-E30 WeakPolarHBondContact OG1-CG 3.22Å; T27-E30 PolarHBondContact OG1-N 3.38Å; T27-E30 PolarHBondContact OG1-OE2 2.97Å; E30-G34 WeakPolarHBondContact O-CA 3.22Å; E30-G34 PolarHBondContact O-N 3.19Å
31I87.1Confident83.4Confident0 Ų060.2 Ų60.20%029%0.293CS..Hα-helixtrans-66.1-48.7174.6-65.4171.5000110.1F19 H23 T26 T27 F28 Q29 G34 F35 I69 V73 P135F19-I31 HydrophobicContact CE1-CG2 4.45Å; F19-I31 HydrophobicContact CZ-CG2 3.97Å; F19-I31 WeakPolarHBondContact CZ-O 3.5Å; H23-I31 HydrophobicContact CB-CD1 4.36Å; H23-I31 HydrophobicContact CB-CG1 3.99Å; H23-I31 WeakPolarHBondContact O-CD1 3.29Å; T26-I31 VanDerWaalsContact OG1-CG1 3.25Å; T26-I31 WeakPolarHBondContact OG1-CG1 3.41Å; T27-I31 VanDerWaalsContact O-CG1 3.27Å; T27-I31 WeakPolarHBondContact O-CG1 3.4Å; T27-I31 PolarHBondContact O-N 2.98Å; F28-I31 HydrophobicContact CD1-CD1 4.11Å; F28-I31 WeakPolarHBondContact O-CB 3.44Å; F28-I31 PolarHBondContact O-N 2.91Å; Q29-I31 PolarHBondContact O-N 3.31Å; I31-G34 PolarHBondContact O-N 3.21Å; I31-F35 WeakPolarHBondContact O-CB 3.16Å; I31-F35 PolarHBondContact O-N 3.05Å; I31-I69 HydrophobicContact CD1-CG1 4.24Å; I31-I69 HydrophobicContact CG2-CG2 3.96Å; I31-V73 HydrophobicContact CG2-CG2 3.85Å; I31-P135 HydrophobicContact CD1-CG 3.61Å
32S85.4Confident82.6Confident3 Ų360.1 Ų60.12%0.02128%0.282CS..Hα-helixtrans-58.6-52.2176.1174.50000111.4F28 Q29 G34 F35 R36 D76F28-S32 PolarHBondContact O-N 3.19Å; Q29-S32 PolarHBondContact O-N 3.34Å; S32-G34 VanDerWaalsContact C-N 3.27Å; S32-G34 PolarHBondContact O-N 3.36Å; S32-F35 WeakPolarHBondContact O-CB 3.16Å; S32-F35 PolarHBondContact O-N 3.3Å; S32-F35 VanDerWaalsContact O-N 3.14Å; S32-R36 WeakPolarHBondContact O-CB 3.44Å; S32-R36 VanDerWaalsContact O-CG 3.25Å; S32-R36 WeakPolarHBondContact O-CG 3.43Å; S32-R36 PolarHBondContact O-N 2.92Å; S32-R36 PolarHBondContact OG-NE 3.23Å; S32-R36 PolarHBondContact OG-NH1 3.07Å; S32-R36 PolarHBondContact OG-NH2 3.27Å; S32-R36 VanDerWaalsContact OG-NH2 3.16Å; S32-D76 WeakPolarHBondContact CB-OD2 3.39Å; S32-D76 PolarHBondContact OG-OD2 2.86Å
33D84.8Confident82.4Confident55 Ų5558 Ų5829%0.29427%0.269SS..Hα-helixtrans-69.5-28.5-178.8-68-32.2000111.7Q29 R36 R37Q29-D33 PolarHBondContact NE2-OD2 3.18Å; Q29-D33 PolarHBondContact O-N 2.81Å; D33-R36 IonicContact OD1-CZ 3.87Å; D33-R36 IonicContact OD1-NH1 3.53Å; D33-R36 PolarHBondContact OD1-NH1 2.77Å; D33-R37 VanDerWaalsContact O-CB 3.29Å; D33-R37 WeakPolarHBondContact O-CB 3.27Å; D33-R37 WeakPolarHBondContact O-CG 3.48Å; D33-R37 PolarHBondContact O-N 2.87Å; D33-R37 PolarHBondContact O-NE 3.03Å
34G86.8Confident82.5Confident8 Ų859.1 Ų59.18%0.08227%0.272CS..Hα-helixtrans-60.3-51167.700000112.1E30 I31 S32 R36 R37 Q38E30-G34 WeakPolarHBondContact O-CA 3.22Å; E30-G34 PolarHBondContact O-N 3.19Å; I31-G34 PolarHBondContact O-N 3.21Å; S32-G34 VanDerWaalsContact C-N 3.27Å; S32-G34 PolarHBondContact O-N 3.36Å; G34-R36 PolarHBondContact O-N 3.28Å; G34-R37 PolarHBondContact O-N 2.87Å; G34-Q38 WeakPolarHBondContact O-CB 3.37Å; G34-Q38 PolarHBondContact O-N 3.31Å
35F86.7Confident82.5Confident1 Ų159.1 Ų59.10%0.00427%0.269CS..Hα-helixtrans-59.2-47.9176.5-176.7-100000111.8F19 I31 S32 R37 Q38 F39 R44 V47 I51 V73 A77F19-F35 HydrophobicContact CD1-CD2 4.48Å; F19-F35 HydrophobicContact CE1-CB 4.25Å; F19-F35 AromaticContact CE1-CD2 4Å; F19-F35 HydrophobicContact CE1-CD2 4Å; F19-F35 HydrophobicContact CE2-CB 4.24Å; F19-F35 HydrophobicContact CZ-CB 3.69Å; F19-F35 HydrophobicContact CZ-CD2 4.26Å; F19-F35 HydrophobicContact CZ-CG 4.5Å; I31-F35 WeakPolarHBondContact O-CB 3.16Å; I31-F35 PolarHBondContact O-N 3.05Å; S32-F35 WeakPolarHBondContact O-CB 3.16Å; S32-F35 PolarHBondContact O-N 3.3Å; S32-F35 VanDerWaalsContact O-N 3.14Å; F35-R37 VanDerWaalsContact C-N 3.3Å; F35-R37 PolarHBondContact O-N 2.98Å; F35-Q38 PolarHBondContact O-N 3.2Å; F35-F39 AromaticContact CD2-CD2 3.41Å; F35-F39 HydrophobicContact CD2-CD2 3.41Å; F35-F39 VanDerWaalsContact CD2-CD2 3.41Å; F35-F39 AromaticContact CD2-CE2 3.8Å; F35-F39 HydrophobicContact CD2-CE2 3.8Å; F35-F39 HydrophobicContact CD2-CG 4.43Å; F35-F39 AromaticContact CE2-CD2 3.57Å; F35-F39 HydrophobicContact CE2-CD2 3.57Å; F35-F39 HydrophobicContact CE2-CE2 4.04Å; F35-F39 HydrophobicContact CE2-CG 4.23Å; F35-F39 HydrophobicContact CG-CD2 4.11Å; F35-F39 HydrophobicContact CZ-CD2 4.35Å; F35-F39 PolarHBondContact O-N 2.98Å; F35-R44 HydrophobicContact CE1-CB 4.29Å; F35-R44 HydrophobicContact CE1-CG 3.9Å; F35-R44 HydrophobicContact CZ-CB 4.45Å; F35-R44 HydrophobicContact CZ-CG 4.29Å; F35-V47 HydrophobicContact CE2-CG1 3.56Å; F35-V47 HydrophobicContact CZ-CB 4.45Å; F35-V47 HydrophobicContact CZ-CG1 3.9Å; F35-I51 HydrophobicContact CE2-CD1 4.34Å; F35-V73 HydrophobicContact CB-CG1 4.46Å; F35-V73 HydrophobicContact CD1-CG1 3.96Å; F35-V73 HydrophobicContact CD2-CG1 3.41Å; F35-V73 VanDerWaalsContact CD2-CG1 3.41Å; F35-V73 HydrophobicContact CE1-CG1 3.98Å; F35-V73 HydrophobicContact CE2-CG1 3.42Å; F35-V73 VanDerWaalsContact CE2-CG1 3.42Å; F35-V73 HydrophobicContact CG-CG1 3.69Å; F35-V73 HydrophobicContact CZ-CG1 3.73Å; F35-A77 HydrophobicContact CD1-CB 3.77Å; F35-A77 HydrophobicContact CE1-CB 3.61Å
36R83.7Confident82.4Confident89 Ų8957.1 Ų57.134%0.33626%0.262SS..Hα-helixtrans-61.7-35.3178.7-67.5163.9-179.4171.21.2112.1S32 D33 G34 R44 D76S32-R36 WeakPolarHBondContact O-CB 3.44Å; S32-R36 VanDerWaalsContact O-CG 3.25Å; S32-R36 WeakPolarHBondContact O-CG 3.43Å; S32-R36 PolarHBondContact O-N 2.92Å; S32-R36 PolarHBondContact OG-NE 3.23Å; S32-R36 PolarHBondContact OG-NH1 3.07Å; S32-R36 PolarHBondContact OG-NH2 3.27Å; S32-R36 VanDerWaalsContact OG-NH2 3.16Å; D33-R36 IonicContact OD1-CZ 3.87Å; D33-R36 IonicContact OD1-NH1 3.53Å; D33-R36 PolarHBondContact OD1-NH1 2.77Å; G34-R36 PolarHBondContact O-N 3.28Å; R36-R44 PolarHBondContact O-NH2 2.85Å; R36-D76 IonicContact CZ-OD2 3.77Å; R36-D76 IonicContact NE-OD2 2.74Å; R36-D76 IonicContact NH2-OD1 2.94Å; R36-D76 PolarHBondContact NH2-OD1 3.1Å; R36-D76 IonicContact NH2-OD2 2.73Å; R36-D76 PolarHBondContact NH2-OD2 3.44Å
37R85.2Confident82.3Confident188 Ų18855.4 Ų55.471%0.70925%0.252SS*.Hα-helixtrans-76.3-41.3175.7-76.7173.8-69.3168.9-2.8113.2D33 G34 F35D33-R37 VanDerWaalsContact O-CB 3.29Å; D33-R37 WeakPolarHBondContact O-CB 3.27Å; D33-R37 WeakPolarHBondContact O-CG 3.48Å; D33-R37 PolarHBondContact O-N 2.87Å; D33-R37 PolarHBondContact O-NE 3.03Å; G34-R37 PolarHBondContact O-N 2.87Å; F35-R37 VanDerWaalsContact C-N 3.3Å; F35-R37 PolarHBondContact O-N 2.98Å
38Q85.4Confident82.3Confident84 Ų8453.7 Ų53.739%0.39324%0.241SC..Hα-helixtrans-77.3-40.5-175-175.7176.2-12.400112.8S15 F19 G34 F35S15-Q38 PolarHBondContact O-NE2 3.29Å; F19-Q38 VanDerWaalsContact CD2-OE1 3.28Å; G34-Q38 WeakPolarHBondContact O-CB 3.37Å; G34-Q38 PolarHBondContact O-N 3.31Å; F35-Q38 PolarHBondContact O-N 3.2Å
39F85Confident82.1Confident6 Ų654.2 Ų54.23%0.02624%0.244CC..SBendtrans-107.1118.8-175.3-56.8-76.2000110.6L12 V16 F19 F35 R44 V47L12-F39 HydrophobicContact CD1-CD1 4Å; L12-F39 HydrophobicContact CD1-CE1 3.92Å; V16-F39 HydrophobicContact CG2-CE1 3.7Å; V16-F39 HydrophobicContact CG2-CZ 3.82Å; F19-F39 HydrophobicContact CB-CE2 4.22Å; F19-F39 HydrophobicContact CB-CZ 4.29Å; F19-F39 HydrophobicContact CD1-CE2 4.34Å; F19-F39 HydrophobicContact CD2-CE2 4.34Å; F19-F39 HydrophobicContact CG-CE2 4.03Å; F35-F39 AromaticContact CD2-CD2 3.41Å; F35-F39 HydrophobicContact CD2-CD2 3.41Å; F35-F39 VanDerWaalsContact CD2-CD2 3.41Å; F35-F39 AromaticContact CD2-CE2 3.8Å; F35-F39 HydrophobicContact CD2-CE2 3.8Å; F35-F39 HydrophobicContact CD2-CG 4.43Å; F35-F39 AromaticContact CE2-CD2 3.57Å; F35-F39 HydrophobicContact CE2-CD2 3.57Å; F35-F39 HydrophobicContact CE2-CE2 4.04Å; F35-F39 HydrophobicContact CE2-CG 4.23Å; F35-F39 HydrophobicContact CG-CD2 4.11Å; F35-F39 HydrophobicContact CZ-CD2 4.35Å; F35-F39 PolarHBondContact O-N 2.98Å; F39-R44 HydrophobicContact CB-CG 3.99Å; F39-R44 PolarHBondContact O-NE 3.14Å; F39-R44 PolarHBondContact O-NH2 2.91Å; F39-V47 HydrophobicContact CD1-CG2 3.66Å; F39-V47 HydrophobicContact CE1-CG2 4.09Å; F39-V47 HydrophobicContact CG-CG2 4.17Å
40R78.2Confident81.9Confident193 Ų19350.7 Ų50.773%0.72823%0.228SC*.  trans-67.4149.6177.1-56.6-176.2179.5165.2-0.1110.7E42 T43 R44R40-E42 WeakPolarHBondContact CB-OE2 3.18Å; R40-E42 PolarHBondContact O-N 3.38Å; R40-T43 PolarHBondContact N-OG1 2.81Å; R40-T43 PolarHBondContact O-N 3.36Å; R40-T43 PolarHBondContact O-OG1 2.95Å; R40-R44 PolarHBondContact O-N 2.98Å
41P71.2Confident81.8Confident35 Ų3546.2 Ų46.223%0.22721%0.207CC..Hα-helixtrans-47.9-41.6-173-28.835.9000114.3T43 R44 L268P41-T43 VanDerWaalsContact C-N 3.28Å; P41-T43 PolarHBondContact O-N 2.71Å; P41-R44 PolarHBondContact O-N 2.7Å; P41-L268 HydrophobicContact CB-CB 4.38Å; P41-L268 WeakPolarHBondContact CB-O 3.42Å; P41-L268 WeakPolarHBondContact O-CB 3.43Å; P41-L268 WeakPolarHBondContact O-CD1 3.49Å
42E67.4Low81.6Confident90 Ų9046.2 Ų46.242%0.42121%0.207SC..Hα-helixtrans-63.4-33.5-177.5-47.670.8-145.400111.8R40R40-E42 WeakPolarHBondContact CB-OE2 3.18Å; R40-E42 PolarHBondContact O-N 3.38Å
43T77Confident81.1Confident42 Ų4247.5 Ų47.526%0.25821%0.213SC..Hα-helixtrans-86.7-23.2178.562.50000113.5R40 P41 V45 I46 V47R40-T43 PolarHBondContact N-OG1 2.81Å; R40-T43 PolarHBondContact O-N 3.36Å; R40-T43 PolarHBondContact O-OG1 2.95Å; P41-T43 VanDerWaalsContact C-N 3.28Å; P41-T43 PolarHBondContact O-N 2.71Å; T43-V45 VanDerWaalsContact C-N 3.31Å; T43-V45 PolarHBondContact O-N 2.89Å; T43-I46 PolarHBondContact O-N 3.41Å; T43-I46 VanDerWaalsContact O-N 3.13Å; T43-V47 WeakPolarHBondContact O-CG2 3.44Å; T43-V47 PolarHBondContact O-N 3.37Å
44R82.4Confident80.9Confident57 Ų5745.4 Ų45.422%0.21520%0.202CC..Hα-helixtrans-58.4-36.5-170.7-73.6179.5-164.6162.34.8113.6F35 R36 F39 R40 P41 A48 F78F35-R44 HydrophobicContact CE1-CB 4.29Å; F35-R44 HydrophobicContact CE1-CG 3.9Å; F35-R44 HydrophobicContact CZ-CB 4.45Å; F35-R44 HydrophobicContact CZ-CG 4.29Å; R36-R44 PolarHBondContact O-NH2 2.85Å; F39-R44 HydrophobicContact CB-CG 3.99Å; F39-R44 PolarHBondContact O-NE 3.14Å; F39-R44 PolarHBondContact O-NH2 2.91Å; R40-R44 PolarHBondContact O-N 2.98Å; P41-R44 PolarHBondContact O-N 2.7Å; R44-A48 WeakPolarHBondContact O-CB 3.4Å; R44-A48 PolarHBondContact O-N 3.29Å; R44-F78 HydrophobicContact CB-CZ 4.35Å
45V77.2Confident80.5Confident12 Ų1245.2 Ų45.27%0.07320%0.199CC..Hα-helixtrans-70.9-41.5178.4166.80000111.9T43 V47 A48 I49 F78 L222 I226 L268T43-V45 VanDerWaalsContact C-N 3.31Å; T43-V45 PolarHBondContact O-N 2.89Å; V45-V47 VanDerWaalsContact C-N 3.3Å; V45-V47 PolarHBondContact O-N 3.49Å; V45-A48 PolarHBondContact O-N 3.16Å; V45-I49 HydrophobicContact CG1-CD1 3.66Å; V45-I49 HydrophobicContact CG1-CG1 4.27Å; V45-I49 WeakPolarHBondContact O-CB 3.36Å; V45-I49 VanDerWaalsContact O-CG1 3.26Å; V45-I49 WeakPolarHBondContact O-CG1 3.43Å; V45-I49 PolarHBondContact O-N 3.16Å; V45-F78 HydrophobicContact CG2-CE1 3.71Å; V45-F78 HydrophobicContact CG2-CZ 4.16Å; V45-L222 HydrophobicContact CG1-CD1 4.16Å; V45-L222 HydrophobicContact CG2-CD1 3.73Å; V45-I226 HydrophobicContact CG1-CD1 4.02Å; V45-I226 HydrophobicContact CG1-CG1 3.88Å; V45-I226 HydrophobicContact CG2-CD1 4.49Å; V45-L268 HydrophobicContact CB-CD1 3.71Å; V45-L268 HydrophobicContact CG2-CD1 3.5Å; V45-L268 VanDerWaalsContact CG2-CD1 3.5Å; V45-L268 HydrophobicContact CG2-CD2 3.5Å; V45-L268 HydrophobicContact CG2-CG 4.02Å
46I77.8Confident79.9Confident91 Ų9147.1 Ų47.147%0.46721%0.206SC..Hα-helixtrans-64.5-41.3176.9-48.9179.5000109.4M8 T43 S50M8-I46 HydrophobicContact CE-CB 4.26Å; M8-I46 HydrophobicContact CE-CG2 3.87Å; T43-I46 PolarHBondContact O-N 3.41Å; T43-I46 VanDerWaalsContact O-N 3.13Å; I46-S50 WeakPolarHBondContact O-CB 3.26Å; I46-S50 PolarHBondContact O-N 3.44Å; I46-S50 PolarHBondContact O-OG 3.14Å
47V84.9Confident79.1Confident0 Ų049 Ų490%021%0.213CC..Hα-helixtrans-58.3-49.2172.1173.50000111M8 L12 V16 F35 F39 T43 V45 S50 I51M8-V47 VanDerWaalsContact CE-CA 3.43Å; M8-V47 HydrophobicContact CE-CB 4.14Å; M8-V47 HydrophobicContact CE-CG2 3.68Å; L12-V47 HydrophobicContact CD1-CG2 4.04Å; L12-V47 HydrophobicContact CG-CG2 4.48Å; V16-V47 HydrophobicContact CG1-CG1 4.39Å; V16-V47 HydrophobicContact CG2-CB 4.3Å; V16-V47 HydrophobicContact CG2-CG1 3.62Å; V16-V47 HydrophobicContact CG2-CG2 3.92Å; F35-V47 HydrophobicContact CE2-CG1 3.56Å; F35-V47 HydrophobicContact CZ-CB 4.45Å; F35-V47 HydrophobicContact CZ-CG1 3.9Å; F39-V47 HydrophobicContact CD1-CG2 3.66Å; F39-V47 HydrophobicContact CE1-CG2 4.09Å; F39-V47 HydrophobicContact CG-CG2 4.17Å; T43-V47 WeakPolarHBondContact O-CG2 3.44Å; T43-V47 PolarHBondContact O-N 3.37Å; V45-V47 VanDerWaalsContact C-N 3.3Å; V45-V47 PolarHBondContact O-N 3.49Å; V47-S50 PolarHBondContact O-N 3.14Å; V47-I51 HydrophobicContact CG1-CD1 3.73Å; V47-I51 HydrophobicContact CG1-CG1 4.35Å; V47-I51 VanDerWaalsContact O-CG1 3.32Å; V47-I51 WeakPolarHBondContact O-CG1 3.3Å; V47-I51 PolarHBondContact O-N 3.4Å
48A85.4Confident78.5Confident0 Ų042.5 Ų42.50%019%0.188CC..Hα-helixtrans-65.3-43.7-178.500000112.9R44 V45 S50 I51 A52 L74 F78 F89R44-A48 WeakPolarHBondContact O-CB 3.4Å; R44-A48 PolarHBondContact O-N 3.29Å; V45-A48 PolarHBondContact O-N 3.16Å; A48-S50 VanDerWaalsContact C-N 3.26Å; A48-S50 PolarHBondContact O-N 3.37Å; A48-I51 PolarHBondContact O-N 3.39Å; A48-A52 WeakPolarHBondContact O-CB 3.35Å; A48-A52 PolarHBondContact O-N 3.29Å; A48-L74 HydrophobicContact CB-CD2 3.58Å; A48-L74 WeakPolarHBondContact O-CD2 3.48Å; A48-F78 HydrophobicContact CB-CD2 4.49Å; A48-F78 HydrophobicContact CB-CE2 3.45Å; A48-F78 VanDerWaalsContact CB-CE2 3.45Å; A48-F78 HydrophobicContact CB-CZ 3.6Å; A48-F89 HydrophobicContact CB-CE1 4.2Å; A48-F89 HydrophobicContact CB-CE2 4Å; A48-F89 HydrophobicContact CB-CZ 3.46Å; A48-F89 VanDerWaalsContact CB-CZ 3.46Å
49I80.4Confident77.4Confident11 Ų1139.6 Ų39.66%0.05618%0.177CC..Hα-helixtrans-58.8-41.5172.6-68.6168.3000110.3V45 A52 H53 I226 L229 L230V45-I49 HydrophobicContact CG1-CD1 3.66Å; V45-I49 HydrophobicContact CG1-CG1 4.27Å; V45-I49 WeakPolarHBondContact O-CB 3.36Å; V45-I49 VanDerWaalsContact O-CG1 3.26Å; V45-I49 WeakPolarHBondContact O-CG1 3.43Å; V45-I49 PolarHBondContact O-N 3.16Å; I49-A52 PolarHBondContact O-N 3.06Å; I49-H53 PolarHBondContact O-CD2 3.1Å; I49-H53 PolarHBondContact O-N 3.21Å; I49-I226 HydrophobicContact CD1-CB 4.5Å; I49-I226 HydrophobicContact CD1-CG1 3.8Å; I49-I226 HydrophobicContact CG1-CB 4.45Å; I49-I226 HydrophobicContact CG1-CG1 3.87Å; I49-I226 HydrophobicContact CG1-CG2 4.39Å; I49-L229 HydrophobicContact CD1-CB 4.26Å; I49-L229 HydrophobicContact CD1-CD1 3.61Å; I49-L229 HydrophobicContact CG2-CB 4.13Å; I49-L230 HydrophobicContact CG2-CD2 3.86Å; I49-L230 HydrophobicContact CG2-CG 4.31Å; I49-L230 WeakPolarHBondContact O-CD2 3.46Å
50S80.8Confident76.3Confident3 Ų347.2 Ų47.22%0.02121%0.212CC..Hα-helixtrans-69.7-38179.1-56.20000112.7M8 I46 V47 A48 H53 V54M8-S50 VanDerWaalsContact CG-OG 3.24Å; M8-S50 WeakPolarHBondContact CG-OG 3.38Å; M8-S50 VanDerWaalsContact SD-CB 3.51Å; M8-S50 PolarHBondContact SD-OG 2.99Å; I46-S50 WeakPolarHBondContact O-CB 3.26Å; I46-S50 PolarHBondContact O-N 3.44Å; I46-S50 PolarHBondContact O-OG 3.14Å; V47-S50 PolarHBondContact O-N 3.14Å; A48-S50 VanDerWaalsContact C-N 3.26Å; A48-S50 PolarHBondContact O-N 3.37Å; S50-H53 PolarHBondContact O-N 2.75Å; S50-V54 WeakPolarHBondContact O-CG2 3.44Å; S50-V54 PolarHBondContact O-N 2.67Å
51I85.7Confident75.4Confident2 Ų242.1 Ų42.11%0.0121%0.207CC..Hα-helixtrans-62.2-45.8170.4-69.4169.6000110.1V16 L20 F35 V47 A48 H53 V54 L55 V73 L74V16-I51 HydrophobicContact CG1-CD1 4.26Å; V16-I51 HydrophobicContact CG1-CG1 3.93Å; L20-I51 HydrophobicContact CD1-CG1 4.41Å; L20-I51 HydrophobicContact CD2-CD1 4.48Å; F35-I51 HydrophobicContact CE2-CD1 4.34Å; V47-I51 HydrophobicContact CG1-CD1 3.73Å; V47-I51 HydrophobicContact CG1-CG1 4.35Å; V47-I51 VanDerWaalsContact O-CG1 3.32Å; V47-I51 WeakPolarHBondContact O-CG1 3.3Å; V47-I51 PolarHBondContact O-N 3.4Å; A48-I51 PolarHBondContact O-N 3.39Å; I51-H53 PolarHBondContact O-N 2.93Å; I51-V54 PolarHBondContact O-N 3.36Å; I51-V54 VanDerWaalsContact O-N 3.14Å; I51-L55 HydrophobicContact CG2-CD1 4.06Å; I51-L55 HydrophobicContact CG2-CG 4.27Å; I51-L55 WeakPolarHBondContact O-CG 3.4Å; I51-L55 PolarHBondContact O-N 3.2Å; I51-V73 HydrophobicContact CD1-CG1 4.22Å; I51-L74 HydrophobicContact CB-CD2 4.34Å; I51-L74 HydrophobicContact CG2-CD1 4.19Å; I51-L74 HydrophobicContact CG2-CD2 4.24Å; I51-L74 HydrophobicContact CG2-CG 4.02Å
52A82.3Confident75.5Confident0 Ų041.7 Ų41.70%020%0.203CC..Hα-helixtrans-63.3-37.8178.200000112.8A48 I49 R56 L74 F89 V92 L230A48-A52 WeakPolarHBondContact O-CB 3.35Å; A48-A52 PolarHBondContact O-N 3.29Å; I49-A52 PolarHBondContact O-N 3.06Å; A52-R56 WeakPolarHBondContact O-CB 3.19Å; A52-R56 WeakPolarHBondContact O-CG 3.45Å; A52-R56 PolarHBondContact O-N 3.06Å; A52-L74 HydrophobicContact CB-CD1 3.94Å; A52-F89 HydrophobicContact CB-CD1 4.31Å; A52-F89 HydrophobicContact CB-CE1 4.29Å; A52-V92 HydrophobicContact CB-CG1 4.21Å; A52-L230 HydrophobicContact CB-CD1 3.78Å; A52-L230 HydrophobicContact CB-CD2 3.76Å; A52-L230 HydrophobicContact CB-CG 4.47Å
53H76.1Confident76.2Confident31 Ų3141.5 Ų41.514%0.14421%0.208CC..Hα-helixtrans-63.3-42.7169.9-79-55.8000112.4L7 I49 S50 I51 R56 R57 L229L7-H53 HydrophobicContact CD1-CB 3.99Å; I49-H53 PolarHBondContact O-CD2 3.1Å; I49-H53 PolarHBondContact O-N 3.21Å; S50-H53 PolarHBondContact O-N 2.75Å; I51-H53 PolarHBondContact O-N 2.93Å; H53-R56 PolarHBondContact O-N 2.66Å; H53-R57 WeakPolarHBondContact O-CB 3.37Å; H53-R57 WeakPolarHBondContact O-CG 3.43Å; H53-R57 PolarHBondContact O-N 2.86Å; H53-L229 PolarHBondContact CE1-O 3.11Å; H53-L229 VanDerWaalsContact CE1-O 3.28Å; H53-L229 PolarHBondContact NE2-O 3.42Å
54V79Confident76.4Confident11 Ų1141.6 Ų41.67%0.06721%0.211CC..Hα-helixtrans-66.4-40.6177.8167.70000111.9L4 S50 I51 R56 R58 P59 T62L4-V54 HydrophobicContact CD2-CG2 3.68Å; L4-V54 HydrophobicContact CG-CG2 3.84Å; S50-V54 WeakPolarHBondContact O-CG2 3.44Å; S50-V54 PolarHBondContact O-N 2.67Å; I51-V54 PolarHBondContact O-N 3.36Å; I51-V54 VanDerWaalsContact O-N 3.14Å; V54-R56 VanDerWaalsContact C-N 3.34Å; V54-R56 PolarHBondContact O-N 2.73Å; V54-R58 PolarHBondContact O-N 3.15Å; V54-P59 HydrophobicContact CG1-CG 4.16Å; V54-P59 VanDerWaalsContact O-CD 3.27Å; V54-P59 WeakPolarHBondContact O-CD 3.12Å; V54-T62 HydrophobicContact CG1-CG2 3.71Å
55L79.3Confident76.5Confident4 Ų439.9 Ų39.92%0.02121%0.207CC..Hα-helixtrans-60.8-42.8174.3-71.3174.6000111.5I51 R67 I71 L74 L96I51-L55 HydrophobicContact CG2-CD1 4.06Å; I51-L55 HydrophobicContact CG2-CG 4.27Å; I51-L55 WeakPolarHBondContact O-CG 3.4Å; I51-L55 PolarHBondContact O-N 3.2Å; L55-R67 HydrophobicContact CD2-CB 3.8Å; L55-R67 HydrophobicContact CD2-CG 3.93Å; L55-R67 WeakPolarHBondContact CD2-O 3.49Å; L55-I71 HydrophobicContact CD1-CG1 3.92Å; L55-I71 HydrophobicContact CD2-CG1 4.14Å; L55-L74 HydrophobicContact CD1-CD1 3.59Å; L55-L96 HydrophobicContact CB-CD1 4.19Å; L55-L96 HydrophobicContact CB-CD2 4.35Å; L55-L96 HydrophobicContact CD1-CD1 4.22Å
56R73.1Confident77Confident41 Ų4139.7 Ų39.716%0.15521%0.208CC..Hα-helixtrans-70.5-41.7179-76.317763.3-175.7-3.2113.6A52 H53 V54 R58 L96 L108 L230 F231A52-R56 WeakPolarHBondContact O-CB 3.19Å; A52-R56 WeakPolarHBondContact O-CG 3.45Å; A52-R56 PolarHBondContact O-N 3.06Å; H53-R56 PolarHBondContact O-N 2.66Å; V54-R56 VanDerWaalsContact C-N 3.34Å; V54-R56 PolarHBondContact O-N 2.73Å; R56-R58 VanDerWaalsContact C-N 3.34Å; R56-L96 HydrophobicContact CG-CD2 4.11Å; R56-L108 HydrophobicContact CB-CD2 3.73Å; R56-L108 HydrophobicContact CG-CD2 3.86Å; R56-L230 PolarHBondContact NH1-O 3.26Å; R56-F231 VanDerWaalsContact NH1-CZ 3.29Å
57R68.3Low77.4Confident129 Ų12936 Ų3649%0.48719%0.188SC..Hα-helixtrans-77.2-18.7179.2-73.1-175.7177-175.9-0.2114.2D3 H53D3-R57 IonicContact OD1-NH1 3.55Å; D3-R57 PolarHBondContact OD1-NH1 3.46Å; D3-R57 VanDerWaalsContact OD1-NH1 3.12Å; H53-R57 WeakPolarHBondContact O-CB 3.37Å; H53-R57 WeakPolarHBondContact O-CG 3.43Å; H53-R57 PolarHBondContact O-N 2.86Å
58R72.1Confident77.4Confident50 Ų5036 Ų3619%0.18919%0.188CC..  trans3955.9-176.8-162.7173.5-178.9174.34113.8V54 R56 E60 R67 Q109 P110 E115V54-R58 PolarHBondContact O-N 3.15Å; R56-R58 VanDerWaalsContact C-N 3.34Å; R58-E60 PolarHBondContact O-N 2.95Å; R58-R67 VanDerWaalsContact NH2-NH2 3.1Å; R58-Q109 HydrophobicContact CB-CB 3.94Å; R58-Q109 HydrophobicContact CG-CB 4.45Å; R58-P110 PolarHBondContact NH1-O 3.37Å; R58-E115 IonicContact CZ-OE2 2.62Å; R58-E115 IonicContact NH2-OE1 3.61Å; R58-E115 IonicContact NH2-OE2 3.76Å
59P61.8Low77.5Confident23 Ų2336 Ų3615%0.14919%0.188CC..  trans-61.4133.2177.826.8-32.5000109.4V54 S61 T62V54-P59 HydrophobicContact CG1-CG 4.16Å; V54-P59 VanDerWaalsContact O-CD 3.27Å; V54-P59 WeakPolarHBondContact O-CD 3.12Å; P59-S61 PolarHBondContact O-N 2.79Å; P59-T62 HydrophobicContact CG-CG2 4.09Å; P59-T62 WeakPolarHBondContact O-CB 3.36Å; P59-T62 PolarHBondContact O-N 2.96Å; P59-T62 PolarHBondContact O-OG1 2.98Å
60E61.6Low77.9Confident166 Ų16635.5 Ų35.578%0.77619%0.185SC*.THydrogen-bonded Turntrans-52.5-30.2-169.7-61.4163.2139.200113.5R58 T62R58-E60 PolarHBondContact O-N 2.95Å; E60-T62 PolarHBondContact O-N 3.35Å
61S60.6Low78.2Confident87 Ų8735.4 Ų35.461%0.60818%0.184SC*.THydrogen-bonded Turntrans-58.8-4.9171.766.80000115.9P59P59-S61 PolarHBondContact O-N 2.79Å
62T72.5Confident78.3Confident25 Ų2535.3 Ų35.315%0.15318%0.184CC..  trans-94.2126.8176.854.10000111.7V54 P59 E60 R67V54-T62 HydrophobicContact CG1-CG2 3.71Å; P59-T62 HydrophobicContact CG-CG2 4.09Å; P59-T62 WeakPolarHBondContact O-CB 3.36Å; P59-T62 PolarHBondContact O-N 2.96Å; P59-T62 PolarHBondContact O-OG1 2.98Å; E60-T62 PolarHBondContact O-N 3.35Å; T62-R67 PolarHBondContact O-NH1 2.87Å; T62-R67 PolarHBondContact OG1-NH1 3.22Å
63T81.8Confident78.5Confident86 Ų8635.5 Ų35.553%0.52819%0.185SC..  trans-76.1156.8170.366.80000110.7S65 A66 R67T63-S65 PolarHBondContact O-N 2.86Å; T63-A66 WeakPolarHBondContact O-CB 3.46Å; T63-A66 PolarHBondContact O-N 2.86Å; T63-A66 VanDerWaalsContact O-N 3.08Å; T63-A66 WeakPolarHBondContact OG1-CB 3.37Å; T63-A66 PolarHBondContact OG1-N 3.07Å; T63-R67 PolarHBondContact O-N 2.72Å
64S82Confident79Confident45 Ų4534 Ų3432%0.31518%0.178SC..Hα-helixtrans-60.6-33.4173.9-46.80000112R67 I68 E115S64-R67 PolarHBondContact O-N 3.08Å; S64-R67 PolarHBondContact OG-NH2 2.86Å; S64-I68 WeakPolarHBondContact O-CG1 3.5Å; S64-I68 PolarHBondContact O-N 2.74Å; S64-E115 WeakPolarHBondContact CA-OE1 3.37Å; S64-E115 WeakPolarHBondContact CB-OE1 3.27Å; S64-E115 PolarHBondContact OG-OE1 2.96Å
65S85Confident79.3Confident20 Ų2034.6 Ų34.614%0.1418%0.179CC..Hα-helixtrans-61.5-46171.3-169.80000111.7G24 T63 R67 I68 I69G24-S65 WeakPolarHBondContact CA-OG 3.4Å; T63-S65 PolarHBondContact O-N 2.86Å; S65-R67 VanDerWaalsContact C-N 3.27Å; S65-R67 PolarHBondContact O-N 3.32Å; S65-I68 PolarHBondContact O-N 2.96Å; S65-I69 WeakPolarHBondContact O-CB 3.49Å; S65-I69 WeakPolarHBondContact O-CD1 3.49Å; S65-I69 WeakPolarHBondContact O-CG1 3.1Å; S65-I69 PolarHBondContact O-N 3.2Å
66A86.1Confident79.5Confident9 Ų935.4 Ų35.47%0.07418%0.183CC..Hα-helixtrans-62.2-34.1177.200000112.3L20 T63 G70L20-A66 HydrophobicContact CB-CB 4.19Å; L20-A66 WeakPolarHBondContact O-CB 3.37Å; T63-A66 WeakPolarHBondContact O-CB 3.46Å; T63-A66 PolarHBondContact O-N 2.86Å; T63-A66 VanDerWaalsContact O-N 3.08Å; T63-A66 WeakPolarHBondContact OG1-CB 3.37Å; T63-A66 PolarHBondContact OG1-N 3.07Å; A66-G70 PolarHBondContact O-N 2.77Å
67R86Confident79.7Confident13 Ų1334.5 Ų34.55%0.04919%0.185CC..Hα-helixtrans-71.5-43.2174.3-67.9-167-68.9-77.7-13.5112.5L55 R58 T62 T63 S64 S65 G70 I71 E115L55-R67 HydrophobicContact CD2-CB 3.8Å; L55-R67 HydrophobicContact CD2-CG 3.93Å; L55-R67 WeakPolarHBondContact CD2-O 3.49Å; R58-R67 VanDerWaalsContact NH2-NH2 3.1Å; T62-R67 PolarHBondContact O-NH1 2.87Å; T62-R67 PolarHBondContact OG1-NH1 3.22Å; T63-R67 PolarHBondContact O-N 2.72Å; S64-R67 PolarHBondContact O-N 3.08Å; S64-R67 PolarHBondContact OG-NH2 2.86Å; S65-R67 VanDerWaalsContact C-N 3.27Å; S65-R67 PolarHBondContact O-N 3.32Å; R67-G70 PolarHBondContact O-N 2.88Å; R67-I71 VanDerWaalsContact O-CG1 3.31Å; R67-I71 WeakPolarHBondContact O-CG1 3.46Å; R67-I71 PolarHBondContact O-N 3.38Å; R67-E115 HydrophobicContact CB-CG 4.18Å; R67-E115 IonicContact CZ-OE1 3.19Å; R67-E115 IonicContact CZ-OE2 2.66Å; R67-E115 IonicContact NE-OE1 2.76Å; R67-E115 PolarHBondContact NE-OE1 3.13Å; R67-E115 VanDerWaalsContact NE-OE1 3.14Å; R67-E115 IonicContact NE-OE2 2.68Å; R67-E115 PolarHBondContact NE-OE2 3.36Å; R67-E115 IonicContact NH2-OE1 2.63Å; R67-E115 PolarHBondContact NH2-OE1 3.41Å; R67-E115 IonicContact NH2-OE2 3.51Å
68I86.5Confident80.1Confident1 Ų128.7 Ų28.71%0.00516%0.163CC..Hα-helixtrans-59.8-45.5173.3-75.8172.5000111.3F28 S64 S65 G70 I71 Y72 E115 F118 P135 L139F28-I68 HydrophobicContact CE1-CG2 3.94Å; F28-I68 HydrophobicContact CZ-CG2 3.65Å; S64-I68 WeakPolarHBondContact O-CG1 3.5Å; S64-I68 PolarHBondContact O-N 2.74Å; S65-I68 PolarHBondContact O-N 2.96Å; I68-G70 PolarHBondContact O-N 2.98Å; I68-I71 PolarHBondContact O-N 3Å; I68-Y72 PolarHBondContact O-N 2.94Å; I68-E115 HydrophobicContact CG1-CG 4.07Å; I68-F118 HydrophobicContact CB-CD1 4.22Å; I68-F118 HydrophobicContact CB-CE1 4.45Å; I68-F118 HydrophobicContact CG1-CB 4.31Å; I68-F118 HydrophobicContact CG1-CD1 4.05Å; I68-F118 HydrophobicContact CG1-CG 4.25Å; I68-F118 HydrophobicContact CG2-CD1 3.83Å; I68-F118 HydrophobicContact CG2-CD2 4.41Å; I68-F118 HydrophobicContact CG2-CE1 3.77Å; I68-F118 HydrophobicContact CG2-CE2 4.36Å; I68-F118 HydrophobicContact CG2-CG 4.14Å; I68-F118 HydrophobicContact CG2-CZ 4.05Å; I68-F118 WeakPolarHBondContact O-CE1 3.32Å; I68-P135 HydrophobicContact CG2-CB 4.06Å; I68-L139 HydrophobicContact CD1-CD1 4.39Å; I68-L139 HydrophobicContact CD1-CD2 3.62Å; I68-L139 HydrophobicContact CD1-CG 3.83Å
69I87.1Confident80Confident0 Ų028.5 Ų28.50%017%0.173CC..Hα-helixtrans-59.1-47.1174.1-66.7161.9000110.2F19 L20 H23 I31 S65 I71 Y72 V73 P135F19-I69 HydrophobicContact CE1-CG2 4.16Å; L20-I69 HydrophobicContact CD2-CB 4.4Å; L20-I69 HydrophobicContact CD2-CG2 3.84Å; H23-I69 HydrophobicContact CB-CD1 3.98Å; I31-I69 HydrophobicContact CD1-CG1 4.24Å; I31-I69 HydrophobicContact CG2-CG2 3.96Å; S65-I69 WeakPolarHBondContact O-CB 3.49Å; S65-I69 WeakPolarHBondContact O-CD1 3.49Å; S65-I69 WeakPolarHBondContact O-CG1 3.1Å; S65-I69 PolarHBondContact O-N 3.2Å; I69-I71 PolarHBondContact O-N 3.42Å; I69-Y72 PolarHBondContact O-N 3.48Å; I69-V73 HydrophobicContact CG2-CG2 4.25Å; I69-V73 WeakPolarHBondContact O-CB 3.48Å; I69-V73 WeakPolarHBondContact O-CG2 3.43Å; I69-V73 PolarHBondContact O-N 3.38Å; I69-P135 HydrophobicContact CD1-CG 4.38Å; I69-P135 HydrophobicContact CG1-CB 4.33Å; I69-P135 HydrophobicContact CG1-CG 3.82Å
70G87.8Confident80Confident0 Ų029.5 Ų29.50%018%0.175CC..Hα-helixtrans-58.5-47.1176.900000113A66 R67 I68 V73 L74A66-G70 PolarHBondContact O-N 2.77Å; R67-G70 PolarHBondContact O-N 2.88Å; I68-G70 PolarHBondContact O-N 2.98Å; G70-V73 PolarHBondContact O-N 3.49Å; G70-L74 WeakPolarHBondContact O-CG 3.38Å; G70-L74 PolarHBondContact O-N 3.34Å
71I87Confident80.2Confident0 Ų028.4 Ų28.40%017%0.167CC..Hα-helixtrans-58.8-49.6177.2-71.8162.9000110.9L55 R67 I68 I69 V73 L74 Y75 L111 E115 F118 L119 L122L55-I71 HydrophobicContact CD1-CG1 3.92Å; L55-I71 HydrophobicContact CD2-CG1 4.14Å; R67-I71 VanDerWaalsContact O-CG1 3.31Å; R67-I71 WeakPolarHBondContact O-CG1 3.46Å; R67-I71 PolarHBondContact O-N 3.38Å; I68-I71 PolarHBondContact O-N 3Å; I69-I71 PolarHBondContact O-N 3.42Å; I71-V73 PolarHBondContact O-N 2.71Å; I71-L74 PolarHBondContact O-N 2.52Å; I71-Y75 PolarHBondContact O-N 3.48Å; I71-Y75 VanDerWaalsContact O-N 3.1Å; I71-L111 HydrophobicContact CD1-CD1 3.95Å; I71-L111 HydrophobicContact CD1-CD2 4.22Å; I71-E115 HydrophobicContact CD1-CB 4.31Å; I71-F118 HydrophobicContact CB-CD1 4.34Å; I71-F118 HydrophobicContact CB-CE1 4.2Å; I71-F118 HydrophobicContact CG2-CD1 3.97Å; I71-F118 HydrophobicContact CG2-CE1 3.87Å; I71-L119 HydrophobicContact CG2-CB 4.29Å; I71-L119 HydrophobicContact CG2-CD1 3.76Å; I71-L122 HydrophobicContact CG2-CD2 3.9Å
72Y87.9Confident80.5Confident1 Ų128 Ų280%0.00415%0.153CC..Hα-helixtrans-63.2-42.8-179.7-178.1-97.8000112.5F28 I68 I69 L74 Y75 D76 F118 L122F28-Y72 HydrophobicContact CB-CD1 4.23Å; F28-Y72 HydrophobicContact CB-CD2 4.32Å; F28-Y72 HydrophobicContact CB-CE1 3.82Å; F28-Y72 HydrophobicContact CB-CE2 3.92Å; F28-Y72 HydrophobicContact CB-CG 4.46Å; F28-Y72 AromaticContact CD1-CD1 3.57Å; F28-Y72 HydrophobicContact CD1-CD1 3.57Å; F28-Y72 AromaticContact CD1-CD2 3.69Å; F28-Y72 HydrophobicContact CD1-CD2 3.69Å; F28-Y72 HydrophobicContact CD1-CE1 4.06Å; F28-Y72 HydrophobicContact CD1-CE2 4.17Å; F28-Y72 AromaticContact CD1-CG 3.35Å; F28-Y72 HydrophobicContact CD1-CG 3.35Å; F28-Y72 HydrophobicContact CE1-CD1 4.42Å; F28-Y72 HydrophobicContact CE1-CD2 4.26Å; F28-Y72 AromaticContact CE1-CG 3.89Å; F28-Y72 HydrophobicContact CE1-CG 3.89Å; F28-Y72 HydrophobicContact CG-CD1 4.33Å; F28-Y72 HydrophobicContact CG-CD2 4.14Å; F28-Y72 HydrophobicContact CG-CE1 4.39Å; F28-Y72 HydrophobicContact CG-CE2 4.21Å; F28-Y72 HydrophobicContact CG-CG 4.2Å; F28-Y72 WeakPolarHBondContact O-CE1 3.38Å; I68-Y72 PolarHBondContact O-N 2.94Å; I69-Y72 PolarHBondContact O-N 3.48Å; Y72-L74 VanDerWaalsContact C-N 3.34Å; Y72-L74 PolarHBondContact O-N 2.85Å; Y72-Y75 WeakPolarHBondContact O-CB 3.44Å; Y72-Y75 PolarHBondContact O-N 3.14Å; Y72-Y75 VanDerWaalsContact O-N 3.14Å; Y72-D76 HydrophobicContact CE1-CB 3.98Å; Y72-D76 HydrophobicContact CE2-CB 4.45Å; Y72-D76 PolarHBondContact O-N 3.47Å; Y72-F118 HydrophobicContact CD2-CZ 4.18Å; Y72-F118 HydrophobicContact CG-CZ 4.49Å; Y72-L122 HydrophobicContact CD2-CD1 3.99Å; Y72-L122 HydrophobicContact CD2-CD2 4.4Å; Y72-L122 HydrophobicContact CE2-CD1 4.27Å
73V87.5Confident80.2Confident3 Ų329.4 Ų29.42%0.01816%0.162CC..Hα-helixtrans-64.1-38.9178.8166.20000111.7F19 I31 F35 I51 I69 G70 I71 Y75 A77F19-V73 HydrophobicContact CE1-CG2 3.95Å; F19-V73 HydrophobicContact CZ-CG2 4.37Å; I31-V73 HydrophobicContact CG2-CG2 3.85Å; F35-V73 HydrophobicContact CB-CG1 4.46Å; F35-V73 HydrophobicContact CD1-CG1 3.96Å; F35-V73 HydrophobicContact CD2-CG1 3.41Å; F35-V73 VanDerWaalsContact CD2-CG1 3.41Å; F35-V73 HydrophobicContact CE1-CG1 3.98Å; F35-V73 HydrophobicContact CE2-CG1 3.42Å; F35-V73 VanDerWaalsContact CE2-CG1 3.42Å; F35-V73 HydrophobicContact CG-CG1 3.69Å; F35-V73 HydrophobicContact CZ-CG1 3.73Å; I51-V73 HydrophobicContact CD1-CG1 4.22Å; I69-V73 HydrophobicContact CG2-CG2 4.25Å; I69-V73 WeakPolarHBondContact O-CB 3.48Å; I69-V73 WeakPolarHBondContact O-CG2 3.43Å; I69-V73 PolarHBondContact O-N 3.38Å; G70-V73 PolarHBondContact O-N 3.49Å; I71-V73 PolarHBondContact O-N 2.71Å; V73-Y75 VanDerWaalsContact C-N 3.31Å; V73-A77 WeakPolarHBondContact O-CB 3.41Å; V73-A77 PolarHBondContact O-N 3.26Å
74L86.5Confident79.5Confident0 Ų027.7 Ų27.70%015%0.149CC..Hα-helixtrans-63.8-37.6173-70.7-177.1000112.2A48 I51 A52 L55 G70 I71 Y72 F78 H87 F89 F93A48-L74 HydrophobicContact CB-CD2 3.58Å; A48-L74 WeakPolarHBondContact O-CD2 3.48Å; I51-L74 HydrophobicContact CB-CD2 4.34Å; I51-L74 HydrophobicContact CG2-CD1 4.19Å; I51-L74 HydrophobicContact CG2-CD2 4.24Å; I51-L74 HydrophobicContact CG2-CG 4.02Å; A52-L74 HydrophobicContact CB-CD1 3.94Å; L55-L74 HydrophobicContact CD1-CD1 3.59Å; G70-L74 WeakPolarHBondContact O-CG 3.38Å; G70-L74 PolarHBondContact O-N 3.34Å; I71-L74 PolarHBondContact O-N 2.52Å; Y72-L74 VanDerWaalsContact C-N 3.34Å; Y72-L74 PolarHBondContact O-N 2.85Å; L74-F78 WeakPolarHBondContact O-CD2 3.3Å; L74-H87 PolarHBondContact O-CE1 3.27Å; L74-H87 PolarHBondContact O-NE2 3.16Å; L74-F89 HydrophobicContact CD1-CD1 4.42Å; L74-F89 HydrophobicContact CD2-CD1 4.14Å; L74-F89 HydrophobicContact CD2-CD2 4.46Å; L74-F89 HydrophobicContact CD2-CE1 4.03Å; L74-F89 HydrophobicContact CD2-CE2 4.37Å; L74-F89 HydrophobicContact CD2-CG 4.37Å; L74-F89 HydrophobicContact CD2-CZ 4.17Å; L74-F93 HydrophobicContact CB-CE1 4.06Å; L74-F93 HydrophobicContact CB-CZ 4.1Å
75Y85.1Confident78.6Confident23 Ų2329.7 Ų29.79%0.0915%0.149CC..Hα-helixtrans-70-61.9178.2-177-77.6000111.2I71 Y72 V73 F78 A79 M84 H87 F93 L122 L123 T127I71-Y75 PolarHBondContact O-N 3.48Å; I71-Y75 VanDerWaalsContact O-N 3.1Å; Y72-Y75 WeakPolarHBondContact O-CB 3.44Å; Y72-Y75 PolarHBondContact O-N 3.14Å; Y72-Y75 VanDerWaalsContact O-N 3.14Å; V73-Y75 VanDerWaalsContact C-N 3.31Å; Y75-F78 CarbonylContact O-C 3.52Å; Y75-F78 PolarHBondContact O-N 2.97Å; Y75-A79 WeakPolarHBondContact O-CB 3.47Å; Y75-A79 PolarHBondContact O-N 3.41Å; Y75-A79 VanDerWaalsContact O-N 3.1Å; Y75-M84 HydrophobicContact CE2-CG 4.17Å; Y75-M84 HydrophobicContact CE2-SD 4.19Å; Y75-M84 WeakPolarHBondContact OH-CG 3.33Å; Y75-M84 PolarHBondContact OH-SD 2.95Å; Y75-M84 VanDerWaalsContact OH-SD 3.37Å; Y75-H87 PolarHBondContact O-NE2 3.3Å; Y75-H87 VanDerWaalsContact O-NE2 3.08Å; Y75-F93 HydrophobicContact CD2-CE2 4Å; Y75-F93 HydrophobicContact CD2-CZ 4.43Å; Y75-L122 HydrophobicContact CD1-CD1 3.98Å; Y75-L122 HydrophobicContact CD1-CG 4.33Å; Y75-L122 HydrophobicContact CD2-CD1 4.3Å; Y75-L122 HydrophobicContact CD2-CD2 4.06Å; Y75-L122 HydrophobicContact CD2-CG 3.78Å; Y75-L122 HydrophobicContact CE1-CD1 4.23Å; Y75-L122 HydrophobicContact CE2-CD1 4.49Å; Y75-L122 HydrophobicContact CE2-CG 4.14Å; Y75-L122 WeakPolarHBondContact CE2-O 3.44Å; Y75-L122 HydrophobicContact CG-CD1 4.05Å; Y75-L122 HydrophobicContact CG-CD2 3.91Å; Y75-L122 HydrophobicContact CG-CG 3.89Å; Y75-L123 HydrophobicContact CE2-CD2 4.24Å; Y75-T127 HydrophobicContact CD1-CG2 3.97Å; Y75-T127 HydrophobicContact CE1-CG2 3.39Å
76D83.5Confident78Confident21 Ų2131 Ų3111%0.11215%0.153CC..Hα-helixtrans-71.8-40.4-168.2171.490.3000112.7S32 R36 Y72 F78 A79S32-D76 WeakPolarHBondContact CB-OD2 3.39Å; S32-D76 PolarHBondContact OG-OD2 2.86Å; R36-D76 IonicContact CZ-OD2 3.77Å; R36-D76 IonicContact NE-OD2 2.74Å; R36-D76 IonicContact NH2-OD1 2.94Å; R36-D76 PolarHBondContact NH2-OD1 3.1Å; R36-D76 IonicContact NH2-OD2 2.73Å; R36-D76 PolarHBondContact NH2-OD2 3.44Å; Y72-D76 HydrophobicContact CE1-CB 3.98Å; Y72-D76 HydrophobicContact CE2-CB 4.45Å; Y72-D76 PolarHBondContact O-N 3.47Å; D76-F78 PolarHBondContact O-N 2.91Å; D76-A79 PolarHBondContact O-N 3.24Å
77A77.7Confident77.6Confident23 Ų2331.1 Ų31.119%0.1915%0.152CC..THydrogen-bonded Turntrans-67.6-9.5-177.700000113.6F35 V73F35-A77 HydrophobicContact CD1-CB 3.77Å; F35-A77 HydrophobicContact CE1-CB 3.61Å; V73-A77 WeakPolarHBondContact O-CB 3.41Å; V73-A77 PolarHBondContact O-N 3.26Å
78F75.8Confident77.2Confident6 Ų630.5 Ų30.53%0.02615%0.15CC..THydrogen-bonded Turntrans-12917.3179.1-58.4-87.2000112.7R44 V45 A48 L74 Y75 D76 F80 H87 F89R44-F78 HydrophobicContact CB-CZ 4.35Å; V45-F78 HydrophobicContact CG2-CE1 3.71Å; V45-F78 HydrophobicContact CG2-CZ 4.16Å; A48-F78 HydrophobicContact CB-CD2 4.49Å; A48-F78 HydrophobicContact CB-CE2 3.45Å; A48-F78 VanDerWaalsContact CB-CE2 3.45Å; A48-F78 HydrophobicContact CB-CZ 3.6Å; L74-F78 WeakPolarHBondContact O-CD2 3.3Å; Y75-F78 CarbonylContact O-C 3.52Å; Y75-F78 PolarHBondContact O-N 2.97Å; D76-F78 PolarHBondContact O-N 2.91Å; F78-F80 VanDerWaalsContact C-N 3.29Å; F78-F80 HydrophobicContact CB-CD2 4.5Å; F78-F80 HydrophobicContact CB-CE2 3.95Å; F78-F80 AromaticContact CD1-CE2 4Å; F78-F80 HydrophobicContact CD1-CE2 4Å; F78-F80 HydrophobicContact CD1-CZ 4.14Å; F78-F80 HydrophobicContact CG-CE2 4.48Å; F78-F80 WeakPolarHBondContact O-CD2 3.46Å; F78-F80 PolarHBondContact O-N 2.7Å; F78-H87 PolarHBondContact O-CD2 2.97Å; F78-H87 PolarHBondContact O-NE2 2.9Å; F78-F89 HydrophobicContact CB-CD2 4.33Å; F78-F89 HydrophobicContact CB-CE2 4.41Å; F78-F89 HydrophobicContact CD1-CE2 4.07Å; F78-F89 HydrophobicContact CD2-CD2 4.08Å; F78-F89 AromaticContact CD2-CE2 3.63Å; F78-F89 HydrophobicContact CD2-CE2 3.63Å; F78-F89 HydrophobicContact CE1-CE2 4.28Å; F78-F89 AromaticContact CE2-CE2 3.87Å; F78-F89 HydrophobicContact CE2-CE2 3.87Å; F78-F89 HydrophobicContact CG-CD2 4.14Å; F78-F89 AromaticContact CG-CE2 3.75Å; F78-F89 HydrophobicContact CG-CE2 3.75Å; F78-F89 HydrophobicContact CZ-CE2 4.18Å
79A70.1Confident76.9Confident47 Ų4730.5 Ų30.539%0.38815%0.15SC..  trans-76.771.4175.500000111.9Y75 D76 K81Y75-A79 WeakPolarHBondContact O-CB 3.47Å; Y75-A79 PolarHBondContact O-N 3.41Å; Y75-A79 VanDerWaalsContact O-N 3.1Å; D76-A79 PolarHBondContact O-N 3.24Å; A79-K81 PolarHBondContact O-N 3.47Å
80F62.4Low76.5Confident44 Ų4430.5 Ų30.519%0.19315%0.15CC..  trans-70.839.9-175.4-64.2-74.5000115.4F78 R82 V88 F219 L222 L271F78-F80 VanDerWaalsContact C-N 3.29Å; F78-F80 HydrophobicContact CB-CD2 4.5Å; F78-F80 HydrophobicContact CB-CE2 3.95Å; F78-F80 AromaticContact CD1-CE2 4Å; F78-F80 HydrophobicContact CD1-CE2 4Å; F78-F80 HydrophobicContact CD1-CZ 4.14Å; F78-F80 HydrophobicContact CG-CE2 4.48Å; F78-F80 WeakPolarHBondContact O-CD2 3.46Å; F78-F80 PolarHBondContact O-N 2.7Å; F80-R82 PolarHBondContact O-N 3.41Å; F80-V88 HydrophobicContact CD2-CG2 4.03Å; F80-V88 HydrophobicContact CE2-CG2 3.84Å; F80-F219 HydrophobicContact CD2-CD2 4.43Å; F80-F219 AromaticContact CD2-CE2 3.93Å; F80-F219 HydrophobicContact CD2-CE2 3.93Å; F80-L222 HydrophobicContact CE2-CD2 4.43Å; F80-L271 HydrophobicContact CE1-CB 4.38Å; F80-L271 HydrophobicContact CE1-CD2 3.86Å; F80-L271 HydrophobicContact CZ-CD2 4.01Å
81K65.9Low75.8Confident142 Ų14230.6 Ų30.662%0.61715%0.15SC*.SBendtrans50.216.7-171.5-56.9-168.2-172.8-172.70114.9A79 G278 E279A79-K81 PolarHBondContact O-N 3.47Å; K81-G278 PolarHBondContact NZ-O 2.91Å; K81-E279 VanDerWaalsContact NZ-CG 3.34Å
82R65.7Low75.3Confident80 Ų8030.6 Ų30.630%0.30215%0.15SC..SBendtrans-89.8150.6175-71.7-178.9179.5-91.5-0.2110.4F80 Q86F80-R82 PolarHBondContact O-N 3.41Å; R82-Q86 HydrophobicContact CB-CB 4.11Å
83P66.5Low74.8Confident53 Ų5330.5 Ų30.534%0.34415%0.15SC..  trans-63.6149.4176.126.5-33.3000111.3W85 Q86P83-W85 HydrophobicContact CB-CD2 4Å; P83-W85 HydrophobicContact CB-CE3 4Å; P83-W85 HydrophobicContact CB-CH2 3.55Å; P83-W85 HydrophobicContact CB-CZ2 3.54Å; P83-W85 HydrophobicContact CB-CZ3 3.79Å; P83-W85 HydrophobicContact CG-CD2 4.37Å; P83-W85 HydrophobicContact CG-CH2 4.18Å; P83-W85 HydrophobicContact CG-CZ2 3.65Å; P83-W85 PolarHBondContact O-N 3.41Å; P83-Q86 HydrophobicContact CG-CG 4.03Å; P83-Q86 WeakPolarHBondContact O-CA 3.16Å; P83-Q86 WeakPolarHBondContact O-CB 3.49Å; P83-Q86 PolarHBondContact O-N 3.01Å
84M66.7Low74.1Confident51 Ų5130.6 Ų30.625%0.25115%0.15SC..G310 helixtrans-59.9-21.7-163-62.2176.1-70.500115.6Y75 Q86 H87 L123 Y154Y75-M84 HydrophobicContact CE2-CG 4.17Å; Y75-M84 HydrophobicContact CE2-SD 4.19Å; Y75-M84 WeakPolarHBondContact OH-CG 3.33Å; Y75-M84 PolarHBondContact OH-SD 2.95Å; Y75-M84 VanDerWaalsContact OH-SD 3.37Å; M84-Q86 VanDerWaalsContact C-N 3.34Å; M84-H87 VanDerWaalsContact O-CB 3.23Å; M84-H87 WeakPolarHBondContact O-CB 3.31Å; M84-H87 PolarHBondContact O-N 3.2Å; M84-L123 HydrophobicContact CB-CD2 4.35Å; M84-L123 WeakPolarHBondContact CE-O 3.28Å; M84-L123 VanDerWaalsContact SD-C 3.6Å; M84-Y154 HydrophobicContact CB-CE2 4.08Å; M84-Y154 PolarHBondContact O-OH 3.3Å
85W65Low73.4Confident87 Ų8731.5 Ų31.533%0.3316%0.156SC..G310 helixtrans-78.8-16.2174.659.586.9000113.7P83 H87 Y154 Q157 V158 Y161P83-W85 HydrophobicContact CB-CD2 4Å; P83-W85 HydrophobicContact CB-CE3 4Å; P83-W85 HydrophobicContact CB-CH2 3.55Å; P83-W85 HydrophobicContact CB-CZ2 3.54Å; P83-W85 HydrophobicContact CB-CZ3 3.79Å; P83-W85 HydrophobicContact CG-CD2 4.37Å; P83-W85 HydrophobicContact CG-CH2 4.18Å; P83-W85 HydrophobicContact CG-CZ2 3.65Å; P83-W85 PolarHBondContact O-N 3.41Å; W85-H87 VanDerWaalsContact C-N 3.34Å; W85-Y154 HydrophobicContact CB-CE2 4.34Å; W85-Q157 HydrophobicContact CB-CB 3.57Å; W85-Q157 HydrophobicContact CD2-CB 4.24Å; W85-Q157 HydrophobicContact CG-CB 3.81Å; W85-V158 HydrophobicContact CB-CG2 3.98Å; W85-Y161 WeakPolarHBondContact O-CB 3.46Å; W85-Y161 VanDerWaalsContact O-CD1 3.24Å; W85-Y161 WeakPolarHBondContact O-CD1 3.34Å
86Q72.2Confident72.8Confident47 Ų4730.7 Ų30.722%0.2215%0.153CC..G310 helixtrans-93.314168.3-54.1-169.4-0.500112.4R82 P83 M84 Y161 F219R82-Q86 HydrophobicContact CB-CB 4.11Å; P83-Q86 HydrophobicContact CG-CG 4.03Å; P83-Q86 WeakPolarHBondContact O-CA 3.16Å; P83-Q86 WeakPolarHBondContact O-CB 3.49Å; P83-Q86 PolarHBondContact O-N 3.01Å; M84-Q86 VanDerWaalsContact C-N 3.34Å; Q86-Y161 HydrophobicContact CB-CD2 4.17Å; Q86-Y161 HydrophobicContact CB-CE1 4.27Å; Q86-Y161 HydrophobicContact CB-CE2 3.8Å; Q86-Y161 HydrophobicContact CG-CD2 3.63Å; Q86-Y161 HydrophobicContact CG-CE2 3.54Å; Q86-Y161 HydrophobicContact CG-CG 4.27Å; Q86-F219 VanDerWaalsContact O-CZ 3.24Å; Q86-F219 WeakPolarHBondContact O-CZ 3.5Å
87H77.3Confident72.3Confident12 Ų1230.2 Ų30.26%0.05615%0.15CC..  trans-70.7141.2-179.3-172.9-97.6000111L74 Y75 F78 M84 W85 F89 G90 F93L74-H87 PolarHBondContact O-CE1 3.27Å; L74-H87 PolarHBondContact O-NE2 3.16Å; Y75-H87 PolarHBondContact O-NE2 3.3Å; Y75-H87 VanDerWaalsContact O-NE2 3.08Å; F78-H87 PolarHBondContact O-CD2 2.97Å; F78-H87 PolarHBondContact O-NE2 2.9Å; M84-H87 VanDerWaalsContact O-CB 3.23Å; M84-H87 WeakPolarHBondContact O-CB 3.31Å; M84-H87 PolarHBondContact O-N 3.2Å; W85-H87 VanDerWaalsContact C-N 3.34Å; H87-F89 AromaticContact CE1-CD2 3.97Å; H87-F89 PolarHBondContact ND1-N 3.37Å; H87-F89 VanDerWaalsContact ND1-N 3.11Å; H87-F89 PolarHBondContact O-N 2.99Å; H87-G90 WeakPolarHBondContact O-CA 3.33Å; H87-G90 PolarHBondContact O-N 2.82Å; H87-F93 AromaticContact CE1-CE2 3.63Å; H87-F93 AromaticContact CE1-CZ 3.84Å; H87-F93 AromaticContact ND1-CE2 3.24Å; H87-F93 WeakPolarHBondContact ND1-CE2 3.38Å; H87-F93 AromaticContact ND1-CZ 3.87Å
88V77.3Confident71.7Confident0 Ų031.2 Ų31.20%015%0.149CC..THydrogen-bonded Turntrans-60.8-32.2-175.5-173.90000112.3F80 F219 L222 Y223 I226 M227F80-V88 HydrophobicContact CD2-CG2 4.03Å; F80-V88 HydrophobicContact CE2-CG2 3.84Å; V88-F219 HydrophobicContact CB-CZ 4.49Å; V88-F219 HydrophobicContact CG2-CD2 4.39Å; V88-F219 HydrophobicContact CG2-CE1 4.27Å; V88-F219 HydrophobicContact CG2-CE2 3.49Å; V88-F219 VanDerWaalsContact CG2-CE2 3.49Å; V88-F219 HydrophobicContact CG2-CZ 3.41Å; V88-F219 VanDerWaalsContact CG2-CZ 3.41Å; V88-L222 HydrophobicContact CG1-CD2 4.34Å; V88-L222 HydrophobicContact CG1-CG 4.21Å; V88-L222 HydrophobicContact CG2-CD2 4.36Å; V88-Y223 HydrophobicContact CG1-CD2 4.31Å; V88-Y223 WeakPolarHBondContact O-CD2 3.33Å; V88-I226 HydrophobicContact CG1-CD1 3.38Å; V88-M227 WeakPolarHBondContact O-CE 3.12Å
89F80.6Confident70.6Confident0 Ų033.6 Ų33.60%016%0.162CC..THydrogen-bonded Turntrans-99.711.5173.4-64-91.4000113.2A48 A52 L74 F78 H87 V92 F93 I226 L230A48-F89 HydrophobicContact CB-CE1 4.2Å; A48-F89 HydrophobicContact CB-CE2 4Å; A48-F89 HydrophobicContact CB-CZ 3.46Å; A48-F89 VanDerWaalsContact CB-CZ 3.46Å; A52-F89 HydrophobicContact CB-CD1 4.31Å; A52-F89 HydrophobicContact CB-CE1 4.29Å; L74-F89 HydrophobicContact CD1-CD1 4.42Å; L74-F89 HydrophobicContact CD2-CD1 4.14Å; L74-F89 HydrophobicContact CD2-CD2 4.46Å; L74-F89 HydrophobicContact CD2-CE1 4.03Å; L74-F89 HydrophobicContact CD2-CE2 4.37Å; L74-F89 HydrophobicContact CD2-CG 4.37Å; L74-F89 HydrophobicContact CD2-CZ 4.17Å; F78-F89 HydrophobicContact CB-CD2 4.33Å; F78-F89 HydrophobicContact CB-CE2 4.41Å; F78-F89 HydrophobicContact CD1-CE2 4.07Å; F78-F89 HydrophobicContact CD2-CD2 4.08Å; F78-F89 AromaticContact CD2-CE2 3.63Å; F78-F89 HydrophobicContact CD2-CE2 3.63Å; F78-F89 HydrophobicContact CE1-CE2 4.28Å; F78-F89 AromaticContact CE2-CE2 3.87Å; F78-F89 HydrophobicContact CE2-CE2 3.87Å; F78-F89 HydrophobicContact CG-CD2 4.14Å; F78-F89 AromaticContact CG-CE2 3.75Å; F78-F89 HydrophobicContact CG-CE2 3.75Å; F78-F89 HydrophobicContact CZ-CE2 4.18Å; H87-F89 AromaticContact CE1-CD2 3.97Å; H87-F89 PolarHBondContact ND1-N 3.37Å; H87-F89 VanDerWaalsContact ND1-N 3.11Å; H87-F89 PolarHBondContact O-N 2.99Å; F89-V92 HydrophobicContact CB-CB 4.38Å; F89-V92 HydrophobicContact CB-CG2 4.32Å; F89-V92 HydrophobicContact CD1-CG2 4.06Å; F89-V92 WeakPolarHBondContact O-CA 3.38Å; F89-V92 VanDerWaalsContact O-CB 3.24Å; F89-V92 WeakPolarHBondContact O-CB 3.25Å; F89-V92 PolarHBondContact O-N 3.32Å; F89-F93 HydrophobicContact CB-CE1 4.34Å; F89-F93 HydrophobicContact CB-CE2 4.41Å; F89-F93 HydrophobicContact CB-CZ 4.1Å; F89-F93 PolarHBondContact O-N 3.47Å; F89-I226 HydrophobicContact CD1-CG2 4.12Å; F89-I226 HydrophobicContact CE1-CD1 4.46Å; F89-I226 HydrophobicContact CE1-CG2 3.65Å; F89-I226 HydrophobicContact CE2-CD1 3.99Å; F89-I226 HydrophobicContact CZ-CD1 3.71Å; F89-I226 HydrophobicContact CZ-CG1 4.26Å; F89-I226 HydrophobicContact CZ-CG2 4.01Å; F89-L230 HydrophobicContact CD1-CD1 4.21Å; F89-L230 HydrophobicContact CE1-CD1 4.13Å
90G77.9Confident69.8Low0 Ų037.5 Ų37.50%018%0.177CC..Hα-helixtrans-52.8-47.1-179.500000114.6H87 V92 F93 V94H87-G90 WeakPolarHBondContact O-CA 3.33Å; H87-G90 PolarHBondContact O-N 2.82Å; G90-V92 VanDerWaalsContact C-N 3.27Å; G90-V92 PolarHBondContact O-N 2.93Å; G90-F93 WeakPolarHBondContact O-CB 3.49Å; G90-F93 PolarHBondContact O-N 3.39Å; G90-F93 VanDerWaalsContact O-N 3.1Å; G90-V94 PolarHBondContact O-N 2.87Å
91P72.4Confident69Low2 Ų240.5 Ų40.51%0.01320%0.2CC..Hα-helixtrans-60.2-33.5172-25.734.2000113.8V94 V95 V158 Y223 M227 F237P91-V94 PolarHBondContact O-N 3.36Å; P91-V95 WeakPolarHBondContact O-CB 3.24Å; P91-V95 VanDerWaalsContact O-CG2 3.29Å; P91-V95 WeakPolarHBondContact O-CG2 3.43Å; P91-V95 PolarHBondContact O-N 2.85Å; P91-V158 HydrophobicContact CB-CG1 4.49Å; P91-V158 HydrophobicContact CG-CG1 4.08Å; P91-Y223 HydrophobicContact CG-CE2 3.93Å; P91-Y223 WeakPolarHBondContact CG-OH 3.48Å; P91-M227 HydrophobicContact CB-CE 3.84Å; P91-M227 HydrophobicContact CB-SD 3.86Å; P91-M227 HydrophobicContact CG-CE 3.66Å; P91-M227 HydrophobicContact CG-SD 3.96Å; P91-F237 HydrophobicContact CB-CE1 4.13Å
92V76.3Confident68.1Low0 Ų037 Ų370%019%0.189CC..Hα-helixtrans-66.8-40.6174.4-170.10000110.2A52 F89 G90 V95 L96 M227 L230 F231A52-V92 HydrophobicContact CB-CG1 4.21Å; F89-V92 HydrophobicContact CB-CB 4.38Å; F89-V92 HydrophobicContact CB-CG2 4.32Å; F89-V92 HydrophobicContact CD1-CG2 4.06Å; F89-V92 WeakPolarHBondContact O-CA 3.38Å; F89-V92 VanDerWaalsContact O-CB 3.24Å; F89-V92 WeakPolarHBondContact O-CB 3.25Å; F89-V92 PolarHBondContact O-N 3.32Å; G90-V92 VanDerWaalsContact C-N 3.27Å; G90-V92 PolarHBondContact O-N 2.93Å; V92-V95 PolarHBondContact O-N 2.89Å; V92-L96 HydrophobicContact CG1-CD1 4.01Å; V92-L96 HydrophobicContact CG1-CG 4.34Å; V92-L96 WeakPolarHBondContact O-CB 3.45Å; V92-L96 VanDerWaalsContact O-CG 3.25Å; V92-L96 WeakPolarHBondContact O-CG 3.41Å; V92-L96 PolarHBondContact O-N 3.06Å; V92-M227 HydrophobicContact CG2-CE 4.04Å; V92-L230 HydrophobicContact CG2-CD1 3.52Å; V92-F231 HydrophobicContact CG2-CE2 4.07Å; V92-F231 HydrophobicContact CG2-CZ 4.44Å
93F78.9Confident67Low0 Ų038.7 Ų38.70%021%0.21CC..Hα-helixtrans-63.8-42.7174.9-59-31.3000112L74 Y75 H87 F89 G90 V95 L96 L97 L119 L123 Y154L74-F93 HydrophobicContact CB-CE1 4.06Å; L74-F93 HydrophobicContact CB-CZ 4.1Å; Y75-F93 HydrophobicContact CD2-CE2 4Å; Y75-F93 HydrophobicContact CD2-CZ 4.43Å; H87-F93 AromaticContact CE1-CE2 3.63Å; H87-F93 AromaticContact CE1-CZ 3.84Å; H87-F93 AromaticContact ND1-CE2 3.24Å; H87-F93 WeakPolarHBondContact ND1-CE2 3.38Å; H87-F93 AromaticContact ND1-CZ 3.87Å; F89-F93 HydrophobicContact CB-CE1 4.34Å; F89-F93 HydrophobicContact CB-CE2 4.41Å; F89-F93 HydrophobicContact CB-CZ 4.1Å; F89-F93 PolarHBondContact O-N 3.47Å; G90-F93 WeakPolarHBondContact O-CB 3.49Å; G90-F93 PolarHBondContact O-N 3.39Å; G90-F93 VanDerWaalsContact O-N 3.1Å; F93-V95 PolarHBondContact O-N 3.29Å; F93-L96 PolarHBondContact O-N 3.06Å; F93-L97 WeakPolarHBondContact O-CB 3.44Å; F93-L97 VanDerWaalsContact O-CG 3.3Å; F93-L97 WeakPolarHBondContact O-CG 3.47Å; F93-L97 PolarHBondContact O-N 3.04Å; F93-L119 HydrophobicContact CB-CD1 4.05Å; F93-L119 HydrophobicContact CB-CD2 4.35Å; F93-L119 HydrophobicContact CD1-CD1 3.76Å; F93-L119 HydrophobicContact CE1-CD1 4.36Å; F93-L119 HydrophobicContact CG-CD1 3.9Å; F93-L123 HydrophobicContact CB-CD1 4.25Å; F93-L123 HydrophobicContact CD2-CD2 4.1Å; F93-Y154 HydrophobicContact CB-CE1 4.32Å
94V72.7Confident65.9Low4 Ų444.9 Ų44.92%0.02423%0.226CC..Hα-helixtrans-60.4-44.2173174.40000111.5G90 P91 L96 L97 R98 Y154 Q155 V158G90-V94 PolarHBondContact O-N 2.87Å; P91-V94 PolarHBondContact O-N 3.36Å; V94-L96 VanDerWaalsContact C-N 3.32Å; V94-L96 PolarHBondContact O-N 3.17Å; V94-L97 PolarHBondContact O-N 3.44Å; V94-R98 WeakPolarHBondContact O-CG 3.36Å; V94-R98 PolarHBondContact O-N 2.89Å; V94-Y154 HydrophobicContact CG2-CD1 3.83Å; V94-Y154 HydrophobicContact CG2-CE1 3.67Å; V94-Q155 HydrophobicContact CG1-CB 4.22Å; V94-Q155 HydrophobicContact CG1-CG 4.14Å; V94-V158 HydrophobicContact CG2-CB 3.75Å; V94-V158 HydrophobicContact CG2-CG1 3.77Å; V94-V158 HydrophobicContact CG2-CG2 3.86Å
95V70.4Confident64.6Low20 Ų2044 Ų4412%0.12123%0.225CC..Hα-helixtrans-66.2-32177.91680000112.4P91 V92 F93 L108 F231P91-V95 WeakPolarHBondContact O-CB 3.24Å; P91-V95 VanDerWaalsContact O-CG2 3.29Å; P91-V95 WeakPolarHBondContact O-CG2 3.43Å; P91-V95 PolarHBondContact O-N 2.85Å; V92-V95 PolarHBondContact O-N 2.89Å; F93-V95 PolarHBondContact O-N 3.29Å; V95-L108 HydrophobicContact CG1-CD1 4.22Å; V95-L108 HydrophobicContact CG1-CD2 4.3Å; V95-F231 HydrophobicContact CB-CZ 4.41Å; V95-F231 HydrophobicContact CG1-CE1 4.4Å; V95-F231 HydrophobicContact CG2-CE1 3.92Å; V95-F231 HydrophobicContact CG2-CZ 3.99Å
96L74Confident63.3Low5 Ų542.5 Ų42.53%0.02622%0.224CC..Hα-helixtrans-79.4-22.4174.4-71.5173.6000113.7L55 R56 V92 F93 V94 L111 L119L55-L96 HydrophobicContact CB-CD1 4.19Å; L55-L96 HydrophobicContact CB-CD2 4.35Å; L55-L96 HydrophobicContact CD1-CD1 4.22Å; R56-L96 HydrophobicContact CG-CD2 4.11Å; V92-L96 HydrophobicContact CG1-CD1 4.01Å; V92-L96 HydrophobicContact CG1-CG 4.34Å; V92-L96 WeakPolarHBondContact O-CB 3.45Å; V92-L96 VanDerWaalsContact O-CG 3.25Å; V92-L96 WeakPolarHBondContact O-CG 3.41Å; V92-L96 PolarHBondContact O-N 3.06Å; F93-L96 PolarHBondContact O-N 3.06Å; V94-L96 VanDerWaalsContact C-N 3.32Å; V94-L96 PolarHBondContact O-N 3.17Å; L96-L111 HydrophobicContact CB-CD1 3.86Å; L96-L111 HydrophobicContact CB-CG 4.06Å; L96-L111 HydrophobicContact CD2-CD2 4.15Å; L96-L111 HydrophobicContact CD2-CG 4.25Å; L96-L111 WeakPolarHBondContact O-CD1 3.38Å; L96-L111 WeakPolarHBondContact O-CG 3.49Å; L96-L119 HydrophobicContact CB-CD2 3.88Å
97L72.7Confident62Low11 Ų1142.7 Ų42.76%0.05824%0.238CC..Hα-helixtrans-81.6-21.2175.4-77.9-179.6000113.9F93 V94 N99 R116 L119 L120 L123 Y154F93-L97 WeakPolarHBondContact O-CB 3.44Å; F93-L97 VanDerWaalsContact O-CG 3.3Å; F93-L97 WeakPolarHBondContact O-CG 3.47Å; F93-L97 PolarHBondContact O-N 3.04Å; V94-L97 PolarHBondContact O-N 3.44Å; L97-N99 PolarHBondContact O-N 2.95Å; L97-R116 HydrophobicContact CD2-CG 4.07Å; L97-R116 PolarHBondContact O-NE 2.87Å; L97-R116 VanDerWaalsContact O-NE 3.16Å; L97-R116 PolarHBondContact O-NH2 3.11Å; L97-R116 VanDerWaalsContact O-NH2 3.1Å; L97-L119 HydrophobicContact CD2-CB 4.19Å; L97-L119 HydrophobicContact CD2-CD2 3.83Å; L97-L119 HydrophobicContact CD2-CG 3.85Å; L97-L119 HydrophobicContact CG-CD2 3.8Å; L97-L119 HydrophobicContact CG-CG 4.1Å; L97-L120 HydrophobicContact CD1-CD2 3.95Å; L97-L120 HydrophobicContact CD2-CD2 3.62Å; L97-L120 HydrophobicContact CD2-CG 3.65Å; L97-L120 HydrophobicContact CG-CD2 4.43Å; L97-L123 HydrophobicContact CD1-CD1 3.77Å; L97-Y154 HydrophobicContact CD1-CD1 4.25Å
98R65.6Low60.7Low45 Ų4544.2 Ų44.217%0.1725%0.246CC..  trans-73.9116.3173.4-75.5173.9174.8-154-5.6109.3V94 Q155V94-R98 WeakPolarHBondContact O-CG 3.36Å; V94-R98 PolarHBondContact O-N 2.89Å; R98-Q155 VanDerWaalsContact CZ-OE1 3.29Å
99N52.3Low59.7Low56 Ų5648.9 Ų48.930%0.29927%0.268SS..  trans-89.5-7.6178.9-89.536.7000113L97 P110 R116L97-N99 PolarHBondContact O-N 2.95Å; N99-P110 HydrophobicContact CB-CB 4.31Å; N99-R116 VanDerWaalsContact OD1-CD 3.28Å; N99-R116 WeakPolarHBondContact OD1-CD 3.42Å; N99-R116 PolarHBondContact OD1-NE 3.41Å; N99-R116 VanDerWaalsContact OD1-NE 3.16Å
100D52.3Low58.8Low128 Ų12851.6 Ų51.668%0.68429%0.286SS*.SBendtrans-78.7127.4-175.7-48.4-66.6000110.6L102D100-L102 PolarHBondContact O-N 3.49Å
101P46.2Very low58.5Low107 Ų10751.9 Ų51.970%0.69529%0.287SS*.  trans-67.8104.5171.528.3-32.3000108.6
102L47.8Very low58.5Low70 Ų7052.5 Ų52.537%0.36629%0.294SS..  trans-56127173.4-79.2161.7000108.3D100 W104 S105D100-L102 PolarHBondContact O-N 3.49Å; L102-W104 PolarHBondContact O-N 2.88Å; L102-S105 WeakPolarHBondContact CB-OG 3.37Å; L102-S105 PolarHBondContact O-N 2.81Å; L102-S105 PolarHBondContact O-OG 3.11Å
103P40.9Very low58.3Low115 Ų11560 Ų6075%0.74733%0.329SS*.THydrogen-bonded Turntrans-56.5-14.7-167.4-31.136.2000116.8
104W44.4Very low58.2Low183 Ų18361.5 Ų61.569%0.69334%0.341SS*.THydrogen-bonded Turntrans-123.711.8-178.3-51.9-42.9000113.6L102 N106L102-W104 PolarHBondContact O-N 2.88Å; W104-N106 PolarHBondContact O-N 3.24Å
105S38.4Very low58.5Low33 Ų3361.4 Ų61.423%0.23134%0.34CS..  trans-97.585.1-178.773.50000113.6L102 G107L102-S105 WeakPolarHBondContact CB-OG 3.37Å; L102-S105 PolarHBondContact O-N 2.81Å; L102-S105 PolarHBondContact O-OG 3.11Å; S105-G107 PolarHBondContact O-N 2.81Å
106N38.7Very low58.8Low55 Ų5564.7 Ų64.729%0.29435%0.35SS..THydrogen-bonded Turntrans-60111.5171.2-69.5-9.3000110.6W104 F669 M670W104-N106 PolarHBondContact O-N 3.24Å; N106-F669 HydrophobicContact CB-CB 4.35Å; N106-F669 HydrophobicContact CB-CD1 3.69Å; N106-F669 HydrophobicContact CB-CE1 4.13Å; N106-F669 HydrophobicContact CB-CG 4.05Å; N106-M670 PolarHBondContact ND2-O 3.46Å; N106-M670 VanDerWaalsContact ND2-O 3.16Å
107G45.5Very low58.9Low50 Ų5066.6 Ų66.652%0.51536%0.36SS..THydrogen-bonded Turntrans95.38.4168.700000117.7S105 Q109S105-G107 PolarHBondContact O-N 2.81Å; G107-Q109 PolarHBondContact O-N 3.11Å
108L49.4Very low59.3Low44 Ų4466.1 Ų66.123%0.2336%0.358CS..  trans-81.591.8162.6-87173.7000109.5R56 V95R56-L108 HydrophobicContact CB-CD2 3.73Å; R56-L108 HydrophobicContact CG-CD2 3.86Å; V95-L108 HydrophobicContact CG1-CD1 4.22Å; V95-L108 HydrophobicContact CG1-CD2 4.3Å
109Q55.5Low60Low98 Ų9864 Ų6446%0.45835%0.35SS..PPolyproline II helixtrans-76.4132.4164.9-68.6-169-5.900109.1R58 G107R58-Q109 HydrophobicContact CB-CB 3.94Å; R58-Q109 HydrophobicContact CG-CB 4.45Å; G107-Q109 PolarHBondContact O-N 3.11Å
110P62.4Low61.1Low57 Ų5762.9 Ų62.937%0.3734%0.344SS..PPolyproline II helixtrans-62.2155.4176.627.9-35.8000111R58 N99R58-P110 PolarHBondContact NH1-O 3.37Å; N99-P110 HydrophobicContact CB-CB 4.31Å
111L71.4Confident62.2Low7 Ų757.9 Ų57.94%0.03732%0.316CS..PPolyproline II helixtrans-59.8147.1176.8-79.5-173.2000111.7I71 L96 E115 R116 L119I71-L111 HydrophobicContact CD1-CD1 3.95Å; I71-L111 HydrophobicContact CD1-CD2 4.22Å; L96-L111 HydrophobicContact CB-CD1 3.86Å; L96-L111 HydrophobicContact CB-CG 4.06Å; L96-L111 HydrophobicContact CD2-CD2 4.15Å; L96-L111 HydrophobicContact CD2-CG 4.25Å; L96-L111 WeakPolarHBondContact O-CD1 3.38Å; L96-L111 WeakPolarHBondContact O-CG 3.49Å; L111-E115 HydrophobicContact CB-CB 4.14Å; L111-E115 HydrophobicContact CD1-CB 4.27Å; L111-E115 HydrophobicContact CD2-CB 4.07Å; L111-E115 HydrophobicContact CG-CB 4.4Å; L111-R116 HydrophobicContact CB-CB 4.22Å; L111-L119 HydrophobicContact CD1-CB 4.32Å; L111-L119 HydrophobicContact CD1-CD2 3.75Å
112G72.2Confident63.7Low14 Ų1452.8 Ų52.814%0.14428%0.283CS..PPolyproline II helixtrans-63151.1169.500000110.5A114 E115 R116G112-A114 VanDerWaalsContact C-N 3.32Å; G112-A114 PolarHBondContact O-N 2.72Å; G112-E115 PolarHBondContact N-OE2 2.74Å; G112-E115 CarbonylContact O-C 3.46Å; G112-E115 WeakPolarHBondContact O-CA 3.18Å; G112-E115 WeakPolarHBondContact O-CB 3.36Å; G112-E115 PolarHBondContact O-N 3.36Å; G112-R116 PolarHBondContact O-N 3.31Å
113E72.8Confident64.9Low159 Ų15950.1 Ų50.174%0.74327%0.269SS*.Hα-helixtrans-52.1-46.9-174.6-176.7169.4-153.900113E115 R116 I117E113-E115 VanDerWaalsContact C-N 3.32Å; E113-E115 PolarHBondContact O-N 2.81Å; E113-R116 PolarHBondContact O-N 3.15Å; E113-I117 HydrophobicContact CG-CD1 3.84Å; E113-I117 WeakPolarHBondContact O-CB 3.37Å; E113-I117 VanDerWaalsContact O-CG1 3.27Å; E113-I117 WeakPolarHBondContact O-CG1 3.5Å; E113-I117 PolarHBondContact O-N 3.07Å
114A75.5Confident66.3Low31 Ų3146.6 Ų46.626%0.25625%0.25SC..Hα-helixtrans-63.9-31.8175.300000113.9G112 F118 L139G112-A114 VanDerWaalsContact C-N 3.32Å; G112-A114 PolarHBondContact O-N 2.72Å; A114-F118 VanDerWaalsContact O-CB 3.25Å; A114-F118 WeakPolarHBondContact O-CB 3.48Å; A114-F118 PolarHBondContact O-N 3.25Å; A114-L139 HydrophobicContact CB-CD2 3.98Å
115E80.8Confident67.3Low2 Ų239.4 Ų39.41%0.00923%0.226CC..Hα-helixtrans-74.8-36.5176.6-63.2142-149.400111.1R58 S64 R67 I68 I71 L111 G112 E113 L119R58-E115 IonicContact CZ-OE2 2.62Å; R58-E115 IonicContact NH2-OE1 3.61Å; R58-E115 IonicContact NH2-OE2 3.76Å; S64-E115 WeakPolarHBondContact CA-OE1 3.37Å; S64-E115 WeakPolarHBondContact CB-OE1 3.27Å; S64-E115 PolarHBondContact OG-OE1 2.96Å; R67-E115 HydrophobicContact CB-CG 4.18Å; R67-E115 IonicContact CZ-OE1 3.19Å; R67-E115 IonicContact CZ-OE2 2.66Å; R67-E115 IonicContact NE-OE1 2.76Å; R67-E115 PolarHBondContact NE-OE1 3.13Å; R67-E115 VanDerWaalsContact NE-OE1 3.14Å; R67-E115 IonicContact NE-OE2 2.68Å; R67-E115 PolarHBondContact NE-OE2 3.36Å; R67-E115 IonicContact NH2-OE1 2.63Å; R67-E115 PolarHBondContact NH2-OE1 3.41Å; R67-E115 IonicContact NH2-OE2 3.51Å; I68-E115 HydrophobicContact CG1-CG 4.07Å; I71-E115 HydrophobicContact CD1-CB 4.31Å; L111-E115 HydrophobicContact CB-CB 4.14Å; L111-E115 HydrophobicContact CD1-CB 4.27Å; L111-E115 HydrophobicContact CD2-CB 4.07Å; L111-E115 HydrophobicContact CG-CB 4.4Å; G112-E115 PolarHBondContact N-OE2 2.74Å; G112-E115 CarbonylContact O-C 3.46Å; G112-E115 WeakPolarHBondContact O-CA 3.18Å; G112-E115 WeakPolarHBondContact O-CB 3.36Å; G112-E115 PolarHBondContact O-N 3.36Å; E113-E115 VanDerWaalsContact C-N 3.32Å; E113-E115 PolarHBondContact O-N 2.81Å; E115-L119 WeakPolarHBondContact O-CB 3.48Å; E115-L119 PolarHBondContact O-N 3.47Å
116R75.9Confident68.5Low88 Ų8840.9 Ų40.933%0.33224%0.236SC..Hα-helixtrans-69-44.6174.5-168.4-175-169.8-156.30111.3L97 N99 L111 G112 E113 F118 L119 L120L97-R116 HydrophobicContact CD2-CG 4.07Å; L97-R116 PolarHBondContact O-NE 2.87Å; L97-R116 VanDerWaalsContact O-NE 3.16Å; L97-R116 PolarHBondContact O-NH2 3.11Å; L97-R116 VanDerWaalsContact O-NH2 3.1Å; N99-R116 VanDerWaalsContact OD1-CD 3.28Å; N99-R116 WeakPolarHBondContact OD1-CD 3.42Å; N99-R116 PolarHBondContact OD1-NE 3.41Å; N99-R116 VanDerWaalsContact OD1-NE 3.16Å; L111-R116 HydrophobicContact CB-CB 4.22Å; G112-R116 PolarHBondContact O-N 3.31Å; E113-R116 PolarHBondContact O-N 3.15Å; R116-F118 VanDerWaalsContact C-N 3.35Å; R116-L119 PolarHBondContact O-N 2.87Å; R116-L120 HydrophobicContact CG-CD1 4.43Å; R116-L120 WeakPolarHBondContact O-CB 3.3Å; R116-L120 VanDerWaalsContact O-CG 3.29Å; R116-L120 WeakPolarHBondContact O-CG 3.42Å; R116-L120 PolarHBondContact O-N 3.47Å
117I75.5Confident69.9Low45 Ų4540.3 Ų40.323%0.23124%0.235CC..Hα-helixtrans-60.3-45.6173.6-70167.4000110.1E113 L120 H121 M145E113-I117 HydrophobicContact CG-CD1 3.84Å; E113-I117 WeakPolarHBondContact O-CB 3.37Å; E113-I117 VanDerWaalsContact O-CG1 3.27Å; E113-I117 WeakPolarHBondContact O-CG1 3.5Å; E113-I117 PolarHBondContact O-N 3.07Å; I117-L120 PolarHBondContact O-N 3.47Å; I117-H121 WeakPolarHBondContact O-CB 3.27Å; I117-H121 PolarHBondContact O-N 2.96Å; I117-M145 HydrophobicContact CG2-CB 3.65Å; I117-M145 HydrophobicContact CG2-CG 4.42Å; I117-M145 HydrophobicContact CG2-SD 4.19Å
118F81.7Confident70.9Confident1 Ų145.3 Ų45.30%0.00425%0.245CC..Hα-helixtrans-59.6-48.9175.5177.6-112000112.3F28 I68 I71 Y72 A114 R116 L120 H121 L122 L138 M145F28-F118 HydrophobicContact CE1-CE1 4.49Å; F28-F118 HydrophobicContact CE1-CE2 4.2Å; F28-F118 AromaticContact CE1-CZ 3.7Å; F28-F118 HydrophobicContact CE1-CZ 3.7Å; F28-F118 HydrophobicContact CE2-CE2 4.1Å; F28-F118 HydrophobicContact CE2-CZ 4.4Å; F28-F118 AromaticContact CZ-CE2 3.66Å; F28-F118 HydrophobicContact CZ-CE2 3.66Å; F28-F118 AromaticContact CZ-CZ 3.64Å; F28-F118 HydrophobicContact CZ-CZ 3.64Å; I68-F118 HydrophobicContact CB-CD1 4.22Å; I68-F118 HydrophobicContact CB-CE1 4.45Å; I68-F118 HydrophobicContact CG1-CB 4.31Å; I68-F118 HydrophobicContact CG1-CD1 4.05Å; I68-F118 HydrophobicContact CG1-CG 4.25Å; I68-F118 HydrophobicContact CG2-CD1 3.83Å; I68-F118 HydrophobicContact CG2-CD2 4.41Å; I68-F118 HydrophobicContact CG2-CE1 3.77Å; I68-F118 HydrophobicContact CG2-CE2 4.36Å; I68-F118 HydrophobicContact CG2-CG 4.14Å; I68-F118 HydrophobicContact CG2-CZ 4.05Å; I68-F118 WeakPolarHBondContact O-CE1 3.32Å; I71-F118 HydrophobicContact CB-CD1 4.34Å; I71-F118 HydrophobicContact CB-CE1 4.2Å; I71-F118 HydrophobicContact CG2-CD1 3.97Å; I71-F118 HydrophobicContact CG2-CE1 3.87Å; Y72-F118 HydrophobicContact CD2-CZ 4.18Å; Y72-F118 HydrophobicContact CG-CZ 4.49Å; A114-F118 VanDerWaalsContact O-CB 3.25Å; A114-F118 WeakPolarHBondContact O-CB 3.48Å; A114-F118 PolarHBondContact O-N 3.25Å; R116-F118 VanDerWaalsContact C-N 3.35Å; F118-L120 PolarHBondContact O-N 3.08Å; F118-H121 PolarHBondContact O-N 2.8Å; F118-L122 HydrophobicContact CE1-CD2 3.97Å; F118-L122 HydrophobicContact CZ-CD2 4.11Å; F118-L122 VanDerWaalsContact O-CB 3.26Å; F118-L122 WeakPolarHBondContact O-CB 3.31Å; F118-L122 PolarHBondContact O-N 3.06Å; F118-L138 HydrophobicContact CD2-CD1 3.48Å; F118-L138 VanDerWaalsContact CD2-CD1 3.48Å; F118-L138 HydrophobicContact CE2-CD1 3.57Å; F118-M145 HydrophobicContact CD2-CE 4.12Å
119L80.5Confident71.7Confident0 Ų046 Ų460%026%0.257CS..Hα-helixtrans-62.9-41.8179.2178.156.1000112I71 F93 L96 L97 L111 E115 R116 L123I71-L119 HydrophobicContact CG2-CB 4.29Å; I71-L119 HydrophobicContact CG2-CD1 3.76Å; F93-L119 HydrophobicContact CB-CD1 4.05Å; F93-L119 HydrophobicContact CB-CD2 4.35Å; F93-L119 HydrophobicContact CD1-CD1 3.76Å; F93-L119 HydrophobicContact CE1-CD1 4.36Å; F93-L119 HydrophobicContact CG-CD1 3.9Å; L96-L119 HydrophobicContact CB-CD2 3.88Å; L97-L119 HydrophobicContact CD2-CB 4.19Å; L97-L119 HydrophobicContact CD2-CD2 3.83Å; L97-L119 HydrophobicContact CD2-CG 3.85Å; L97-L119 HydrophobicContact CG-CD2 3.8Å; L97-L119 HydrophobicContact CG-CG 4.1Å; L111-L119 HydrophobicContact CD1-CB 4.32Å; L111-L119 HydrophobicContact CD1-CD2 3.75Å; E115-L119 WeakPolarHBondContact O-CB 3.48Å; E115-L119 PolarHBondContact O-N 3.47Å; R116-L119 PolarHBondContact O-N 2.87Å; L119-L123 HydrophobicContact CD1-CD1 3.81Å; L119-L123 HydrophobicContact CD1-CG 4.16Å; L119-L123 HydrophobicContact CG-CD1 4Å; L119-L123 WeakPolarHBondContact O-CB 3.49Å; L119-L123 WeakPolarHBondContact O-CD1 3.36Å; L119-L123 WeakPolarHBondContact O-CG 3.28Å; L119-L123 PolarHBondContact O-N 3.26Å; L119-L123 VanDerWaalsContact O-N 3.14Å
120L75.5Confident72.7Confident33 Ų3341.5 Ų41.517%0.17324%0.236CC..Hα-helixtrans-58.6-51.9173.3-73.9169.8000110.9L97 R116 I117 F118 L122 L123 A124 I149 A151L97-L120 HydrophobicContact CD1-CD2 3.95Å; L97-L120 HydrophobicContact CD2-CD2 3.62Å; L97-L120 HydrophobicContact CD2-CG 3.65Å; L97-L120 HydrophobicContact CG-CD2 4.43Å; R116-L120 HydrophobicContact CG-CD1 4.43Å; R116-L120 WeakPolarHBondContact O-CB 3.3Å; R116-L120 VanDerWaalsContact O-CG 3.29Å; R116-L120 WeakPolarHBondContact O-CG 3.42Å; R116-L120 PolarHBondContact O-N 3.47Å; I117-L120 PolarHBondContact O-N 3.47Å; F118-L120 PolarHBondContact O-N 3.08Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L120-L122 PolarHBondContact O-N 3.31Å; L120-L123 CarbonylContact O-C 3.53Å; L120-L123 WeakPolarHBondContact O-CA 3.42Å; L120-L123 WeakPolarHBondContact O-CB 3.47Å; L120-L123 PolarHBondContact O-N 3.49Å; L120-A124 PolarHBondContact O-N 3.34Å; L120-I149 HydrophobicContact CB-CB 4.5Å; L120-I149 HydrophobicContact CB-CD1 4.01Å; L120-I149 HydrophobicContact CB-CG2 4.39Å; L120-I149 HydrophobicContact CD2-CG2 4.04Å; L120-I149 WeakPolarHBondContact O-CD1 3.45Å; L120-A151 HydrophobicContact CD2-CB 3.95Å
121H75Confident73.2Confident24 Ų2439.5 Ų39.511%0.11122%0.224CC..Hα-helixtrans-64.3-37.4-176.5-166.7101.6000112.5I117 F118 L123 A124 V125 M145I117-H121 WeakPolarHBondContact O-CB 3.27Å; I117-H121 PolarHBondContact O-N 2.96Å; F118-H121 PolarHBondContact O-N 2.8Å; H121-L123 PolarHBondContact O-N 3.31Å; H121-A124 PolarHBondContact O-N 2.99Å; H121-A124 VanDerWaalsContact O-N 3.15Å; H121-V125 WeakPolarHBondContact NE2-CG2 3.19Å; H121-V125 PolarHBondContact O-N 3.14Å; H121-M145 HydrophobicContact CB-CB 4.2Å; H121-M145 HydrophobicContact CB-CE 4.05Å; H121-M145 HydrophobicContact CB-SD 4.25Å; H121-M145 WeakPolarHBondContact ND1-CA 3.17Å; H121-M145 WeakPolarHBondContact ND1-CB 3.37Å; H121-M145 PolarHBondContact ND1-O 2.99Å
122L78.4Confident73.5Confident0 Ų046.7 Ų46.70%026%0.258CS..Hα-helixtrans-65.1-21.5171.8-177.163.5000113.2I71 Y72 Y75 F118 L120 T127 L130I71-L122 HydrophobicContact CG2-CD2 3.9Å; Y72-L122 HydrophobicContact CD2-CD1 3.99Å; Y72-L122 HydrophobicContact CD2-CD2 4.4Å; Y72-L122 HydrophobicContact CE2-CD1 4.27Å; Y75-L122 HydrophobicContact CD1-CD1 3.98Å; Y75-L122 HydrophobicContact CD1-CG 4.33Å; Y75-L122 HydrophobicContact CD2-CD1 4.3Å; Y75-L122 HydrophobicContact CD2-CD2 4.06Å; Y75-L122 HydrophobicContact CD2-CG 3.78Å; Y75-L122 HydrophobicContact CE1-CD1 4.23Å; Y75-L122 HydrophobicContact CE2-CD1 4.49Å; Y75-L122 HydrophobicContact CE2-CG 4.14Å; Y75-L122 WeakPolarHBondContact CE2-O 3.44Å; Y75-L122 HydrophobicContact CG-CD1 4.05Å; Y75-L122 HydrophobicContact CG-CD2 3.91Å; Y75-L122 HydrophobicContact CG-CG 3.89Å; F118-L122 HydrophobicContact CE1-CD2 3.97Å; F118-L122 HydrophobicContact CZ-CD2 4.11Å; F118-L122 VanDerWaalsContact O-CB 3.26Å; F118-L122 WeakPolarHBondContact O-CB 3.31Å; F118-L122 PolarHBondContact O-N 3.06Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L120-L122 PolarHBondContact O-N 3.31Å; L122-T127 HydrophobicContact CD1-CG2 4.29Å; L122-L130 HydrophobicContact CB-CD1 4.25Å; L122-L130 HydrophobicContact CD1-CD1 3.7Å
123L73.2Confident73.9Confident13 Ų1350.9 Ų50.97%0.06827%0.269CS..THydrogen-bonded Turntrans-95.710.4175-68.6169.3000113.5Y75 M84 F93 L97 L119 L120 H121 Y154Y75-L123 HydrophobicContact CE2-CD2 4.24Å; M84-L123 HydrophobicContact CB-CD2 4.35Å; M84-L123 WeakPolarHBondContact CE-O 3.28Å; M84-L123 VanDerWaalsContact SD-C 3.6Å; F93-L123 HydrophobicContact CB-CD1 4.25Å; F93-L123 HydrophobicContact CD2-CD2 4.1Å; L97-L123 HydrophobicContact CD1-CD1 3.77Å; L119-L123 HydrophobicContact CD1-CD1 3.81Å; L119-L123 HydrophobicContact CD1-CG 4.16Å; L119-L123 HydrophobicContact CG-CD1 4Å; L119-L123 WeakPolarHBondContact O-CB 3.49Å; L119-L123 WeakPolarHBondContact O-CD1 3.36Å; L119-L123 WeakPolarHBondContact O-CG 3.28Å; L119-L123 PolarHBondContact O-N 3.26Å; L119-L123 VanDerWaalsContact O-N 3.14Å; L120-L123 CarbonylContact O-C 3.53Å; L120-L123 WeakPolarHBondContact O-CA 3.42Å; L120-L123 WeakPolarHBondContact O-CB 3.47Å; L120-L123 PolarHBondContact O-N 3.49Å; H121-L123 PolarHBondContact O-N 3.31Å; L123-Y154 HydrophobicContact CD1-CD1 3.98Å; L123-Y154 HydrophobicContact CD1-CE1 3.72Å; L123-Y154 HydrophobicContact CD2-CE1 4.08Å; L123-Y154 HydrophobicContact CD2-CE2 3.88Å
124A69.3Low74.4Confident42 Ų4244.4 Ų44.435%0.34724%0.241SC..THydrogen-bonded Turntrans-133.8-42.8-177.600000113.5L120 H121 I149L120-A124 PolarHBondContact O-N 3.34Å; H121-A124 PolarHBondContact O-N 2.99Å; H121-A124 VanDerWaalsContact O-N 3.15Å; A124-I149 HydrophobicContact CB-CD1 3.51Å; A124-I149 HydrophobicContact CB-CG1 3.56Å; A124-I149 HydrophobicContact CB-CG2 4.17Å
125V66.4Low74.7Confident31 Ų3143 Ų4319%0.18823%0.228CC..SBendtrans-96146.3-177.2-177.40000110.2H121 A129H121-V125 WeakPolarHBondContact NE2-CG2 3.19Å; H121-V125 PolarHBondContact O-N 3.14Å; V125-A129 HydrophobicContact CG1-CB 3.83Å
126S62.9Low74.6Confident65 Ų6549.6 Ų49.646%0.45525%0.254SS..  trans-61.5141.7174.6580000111.1E128 A129S126-E128 PolarHBondContact O-N 3.38Å; S126-A129 PolarHBondContact O-N 2.87Å; S126-A129 VanDerWaalsContact O-N 3.13Å
127T67.6Low74.7Confident43 Ų4348.6 Ų48.626%0.26425%0.253SS..Hα-helixtrans-56.9-27.3-179.237.40000113.2Y75 L122 A129 L130 A131Y75-T127 HydrophobicContact CD1-CG2 3.97Å; Y75-T127 HydrophobicContact CE1-CG2 3.39Å; L122-T127 HydrophobicContact CD1-CG2 4.29Å; T127-A129 VanDerWaalsContact C-N 3.29Å; T127-A129 PolarHBondContact O-N 3.49Å; T127-L130 CarbonylContact O-C 3.54Å; T127-L130 PolarHBondContact O-N 3.42Å; T127-A131 WeakPolarHBondContact O-CB 3.39Å; T127-A131 PolarHBondContact O-N 2.98Å
128E66.6Low74.7Confident154 Ų15447.3 Ų47.372%0.7225%0.246SC*.Hα-helixtrans-50.9-44175.3-62.2166.6169.200112.5S126 L130S126-E128 PolarHBondContact O-N 3.38Å; E128-L130 VanDerWaalsContact C-N 3.29Å; E128-L130 PolarHBondContact O-N 2.64Å
129A67.2Low74.3Confident60 Ų6050.2 Ų50.250%0.49626%0.261SS..Hα-helixtrans-76.7-15.1-179.900000113.9V125 S126 T127V125-A129 HydrophobicContact CG1-CB 3.83Å; S126-A129 PolarHBondContact O-N 2.87Å; S126-A129 VanDerWaalsContact O-N 3.13Å; T127-A129 VanDerWaalsContact C-N 3.29Å; T127-A129 PolarHBondContact O-N 3.49Å
130L75.4Confident74.1Confident3 Ų356 Ų562%0.01629%0.291CS..Hα-helixtrans-98-26176.2-71.9170.9000112.7F28 L122 T127 E128 E132 R133 M145F28-L130 WeakPolarHBondContact CD2-O 3.28Å; L122-L130 HydrophobicContact CB-CD1 4.25Å; L122-L130 HydrophobicContact CD1-CD1 3.7Å; T127-L130 CarbonylContact O-C 3.54Å; T127-L130 PolarHBondContact O-N 3.42Å; E128-L130 VanDerWaalsContact C-N 3.29Å; E128-L130 PolarHBondContact O-N 2.64Å; L130-E132 PolarHBondContact O-N 2.87Å; L130-R133 WeakPolarHBondContact O-CB 3.39Å; L130-R133 PolarHBondContact O-N 3.49Å; L130-M145 HydrophobicContact CD2-CE 3.6Å
131A73.9Confident73.8Confident14 Ų1457 Ų5712%0.11630%0.299CS..Hα-helixtrans-55.6-37.2-173.200000113.3F28 Q29 T127F28-A131 PolarHBondContact N-O 3Å; Q29-A131 HydrophobicContact CB-CB 4.31Å; Q29-A131 PolarHBondContact N-O 2.82Å; T127-A131 WeakPolarHBondContact O-CB 3.39Å; T127-A131 PolarHBondContact O-N 2.98Å
132E77.4Confident73.2Confident159 Ų15958 Ų5874%0.74331%0.307SS*.THydrogen-bonded Turntrans-79.6-10178.6-59-171.4153.800114.4L130L130-E132 PolarHBondContact O-N 2.87Å
133R80Confident72.2Confident102 Ų10266.4 Ų66.439%0.38535%0.347SS..  trans-84.7151.8-176.9-61.5-68.4170.6-158.7-10.5111.9T27 F28 L130 E137 L138T27-R133 CarbonylContact C-O 3.51Å; T27-R133 VanDerWaalsContact CA-O 3.3Å; T27-R133 WeakPolarHBondContact CA-O 3.2Å; F28-R133 HydrophobicContact CD2-CB 3.98Å; F28-R133 WeakPolarHBondContact CD2-O 3.29Å; F28-R133 HydrophobicContact CE2-CB 4.16Å; F28-R133 PolarHBondContact N-O 3.45Å; L130-R133 WeakPolarHBondContact O-CB 3.39Å; L130-R133 PolarHBondContact O-N 3.49Å; R133-E137 WeakPolarHBondContact CD-OE2 3.48Å; R133-E137 IonicContact NH1-OE2 2.62Å; R133-E137 PolarHBondContact NH1-OE2 3.39Å; R133-L138 HydrophobicContact CB-CD2 4.39Å; R133-L138 HydrophobicContact CG-CD2 4.45Å
134T83.1Confident71.4Confident23 Ų2375.4 Ų75.414%0.14138%0.38CS..  trans-95.1149166.863.90000111.7E25 T27 R136 E137 L138E25-T134 VanDerWaalsContact O-CG2 3.25Å; E25-T134 WeakPolarHBondContact O-CG2 3.39Å; T27-T134 HydrophobicContact CG2-CG2 4.49Å; T134-R136 PolarHBondContact O-N 3.14Å; T134-E137 WeakPolarHBondContact CB-OE1 3.25Å; T134-E137 WeakPolarHBondContact CG2-OE1 3.39Å; T134-E137 PolarHBondContact N-OE1 3.08Å; T134-E137 PolarHBondContact O-N 3.19Å; T134-E137 WeakPolarHBondContact OG1-CG 3.42Å; T134-E137 PolarHBondContact OG1-N 3.05Å; T134-E137 VanDerWaalsContact OG1-N 3.15Å; T134-E137 PolarHBondContact OG1-OE1 3.1Å; T134-L138 PolarHBondContact O-N 3.43Å
135P82Confident70.9Confident0 Ų074 Ų740%037%0.366CS..Hα-helixtrans-54.7-33.2170.8-25.933.4000113.2T26 F28 I31 I68 I69 L139T26-P135 VanDerWaalsContact O-CD 3.22Å; T26-P135 WeakPolarHBondContact O-CD 3.22Å; F28-P135 HydrophobicContact CE1-CG 3.89Å; F28-P135 HydrophobicContact CE2-CG 4.44Å; F28-P135 HydrophobicContact CZ-CB 4.21Å; F28-P135 HydrophobicContact CZ-CG 3.83Å; I31-P135 HydrophobicContact CD1-CG 3.61Å; I68-P135 HydrophobicContact CG2-CB 4.06Å; I69-P135 HydrophobicContact CD1-CG 4.38Å; I69-P135 HydrophobicContact CG1-CB 4.33Å; I69-P135 HydrophobicContact CG1-CG 3.82Å; P135-L139 WeakPolarHBondContact O-CG 3.32Å; P135-L139 PolarHBondContact O-N 2.79Å
136R78.3Confident70.1Confident142 Ų14278.1 Ų78.154%0.53639%0.391SS..Hα-helixtrans-69.9-38.3179.4-169171.1-175.9175.11.8113.4G24 E25 T134 L138 I140G24-R136 WeakPolarHBondContact O-CB 3.35Å; G24-R136 PolarHBondContact O-N 2.88Å; E25-R136 IonicContact OE1-CZ 3.02Å; E25-R136 IonicContact OE1-NH1 3.73Å; E25-R136 PolarHBondContact OE1-NH1 3.35Å; T134-R136 PolarHBondContact O-N 3.14Å; R136-L138 VanDerWaalsContact C-N 3.35Å; R136-L138 PolarHBondContact O-N 3.11Å; R136-I140 HydrophobicContact CG-CD1 4.06Å; R136-I140 WeakPolarHBondContact O-CD1 3.43Å; R136-I140 VanDerWaalsContact O-CG1 3.29Å; R136-I140 WeakPolarHBondContact O-CG1 3.27Å; R136-I140 PolarHBondContact O-N 3.17Å
137E79Confident69.7Low67 Ų6781.1 Ų81.131%0.31340%0.398SS..Hα-helixtrans-59-44.8173.1-84.5161.7-96.800112.2R133 T134 L139 I140 T141R133-E137 WeakPolarHBondContact CD-OE2 3.48Å; R133-E137 IonicContact NH1-OE2 2.62Å; R133-E137 PolarHBondContact NH1-OE2 3.39Å; T134-E137 WeakPolarHBondContact CB-OE1 3.25Å; T134-E137 WeakPolarHBondContact CG2-OE1 3.39Å; T134-E137 PolarHBondContact N-OE1 3.08Å; T134-E137 PolarHBondContact O-N 3.19Å; T134-E137 WeakPolarHBondContact OG1-CG 3.42Å; T134-E137 PolarHBondContact OG1-N 3.05Å; T134-E137 VanDerWaalsContact OG1-N 3.15Å; T134-E137 PolarHBondContact OG1-OE1 3.1Å; E137-L139 PolarHBondContact O-N 3.07Å; E137-I140 PolarHBondContact O-N 3.01Å; E137-I140 VanDerWaalsContact O-N 3.12Å; E137-T141 PolarHBondContact O-N 3.1Å; E137-T141 PolarHBondContact O-OG1 2.93Å
138L75.7Confident68.9Low17 Ų1791 Ų919%0.08943%0.43CS..Hα-helixtrans-67.2-37.6-176.1-60-171.9000112.1F28 F118 R133 T134 R136 I140 T141 M145F28-L138 HydrophobicContact CE2-CD1 3.54Å; F28-L138 HydrophobicContact CE2-CG 4.32Å; F28-L138 HydrophobicContact CZ-CD1 3.86Å; F118-L138 HydrophobicContact CD2-CD1 3.48Å; F118-L138 VanDerWaalsContact CD2-CD1 3.48Å; F118-L138 HydrophobicContact CE2-CD1 3.57Å; R133-L138 HydrophobicContact CB-CD2 4.39Å; R133-L138 HydrophobicContact CG-CD2 4.45Å; T134-L138 PolarHBondContact O-N 3.43Å; R136-L138 VanDerWaalsContact C-N 3.35Å; R136-L138 PolarHBondContact O-N 3.11Å; L138-I140 PolarHBondContact O-N 3.23Å; L138-T141 PolarHBondContact O-N 2.98Å; L138-M145 HydrophobicContact CD1-CE 3.67Å; L138-M145 HydrophobicContact CD1-SD 4.36Å; L138-M145 HydrophobicContact CD2-CE 3.64Å; L138-M145 HydrophobicContact CD2-SD 4.15Å; L138-M145 HydrophobicContact CG-CE 4.24Å
139L74Confident68.4Low62 Ų6285.8 Ų85.833%0.32541%0.406SS..Hα-helixtrans-67-21.7173.6-72.7169.8000113.4I68 A114 P135 E137I68-L139 HydrophobicContact CD1-CD1 4.39Å; I68-L139 HydrophobicContact CD1-CD2 3.62Å; I68-L139 HydrophobicContact CD1-CG 3.83Å; A114-L139 HydrophobicContact CB-CD2 3.98Å; P135-L139 WeakPolarHBondContact O-CG 3.32Å; P135-L139 PolarHBondContact O-N 2.79Å; E137-L139 PolarHBondContact O-N 3.07Å
140I75.3Confident68.1Low121 Ų12187 Ų8762%0.62141%0.405SS*.Hα-helixtrans-93.9-28.8178.5-63.3166.4000111.6R136 E137 L138R136-I140 HydrophobicContact CG-CD1 4.06Å; R136-I140 WeakPolarHBondContact O-CD1 3.43Å; R136-I140 VanDerWaalsContact O-CG1 3.29Å; R136-I140 WeakPolarHBondContact O-CG1 3.27Å; R136-I140 PolarHBondContact O-N 3.17Å; E137-I140 PolarHBondContact O-N 3.01Å; E137-I140 VanDerWaalsContact O-N 3.12Å; L138-I140 PolarHBondContact O-N 3.23Å
141T68.7Low67.5Low56 Ų5688.4 Ų88.434%0.34442%0.417SS..  trans-133.157.4-175.850.70000114.5E137 L138 E143 R144E137-T141 PolarHBondContact O-N 3.1Å; E137-T141 PolarHBondContact O-OG1 2.93Å; L138-T141 PolarHBondContact O-N 2.98Å; T141-E143 PolarHBondContact O-N 3.32Å; T141-R144 PolarHBondContact O-N 3.34Å
142P63.2Low67.1Low44 Ų4494.3 Ų94.329%0.28644%0.442SS..G310 helixtrans-62.7-25.6-179.527.4-36000113.6R144 M145P142-R144 PolarHBondContact O-N 3.11Å; P142-M145 WeakPolarHBondContact O-CB 3.35Å; P142-M145 PolarHBondContact O-N 2.84Å
143E57.3Low66.6Low177 Ų17794.2 Ų94.283%0.82744%0.435SS*.G310 helixtrans-56.9-20.4179.9-61.2-179.5175.700114.2T141 M145 V146T141-E143 PolarHBondContact O-N 3.32Å; E143-M145 VanDerWaalsContact C-N 3.29Å; E143-M145 PolarHBondContact O-N 3.18Å; E143-V146 WeakPolarHBondContact O-CG2 3.32Å
144R57.2Low66Low202 Ų20290 Ų9076%0.76242%0.419SS*.G310 helixtrans-80-6.4177.9-70.8-177.4171.1179.4-2.9114.3T141 P142T141-R144 PolarHBondContact O-N 3.34Å; P142-R144 PolarHBondContact O-N 3.11Å
145M56.9Low65.2Low13 Ų1390.5 Ų90.56%0.06442%0.42CS..G310 helixtrans-96.23.3-176.1-64-168.1123.700114.2I117 F118 H121 L130 L138 P142 E143 E147I117-M145 HydrophobicContact CG2-CB 3.65Å; I117-M145 HydrophobicContact CG2-CG 4.42Å; I117-M145 HydrophobicContact CG2-SD 4.19Å; F118-M145 HydrophobicContact CD2-CE 4.12Å; H121-M145 HydrophobicContact CB-CB 4.2Å; H121-M145 HydrophobicContact CB-CE 4.05Å; H121-M145 HydrophobicContact CB-SD 4.25Å; H121-M145 WeakPolarHBondContact ND1-CA 3.17Å; H121-M145 WeakPolarHBondContact ND1-CB 3.37Å; H121-M145 PolarHBondContact ND1-O 2.99Å; L130-M145 HydrophobicContact CD2-CE 3.6Å; L138-M145 HydrophobicContact CD1-CE 3.67Å; L138-M145 HydrophobicContact CD1-SD 4.36Å; L138-M145 HydrophobicContact CD2-CE 3.64Å; L138-M145 HydrophobicContact CD2-SD 4.15Å; L138-M145 HydrophobicContact CG-CE 4.24Å; P142-M145 WeakPolarHBondContact O-CB 3.35Å; P142-M145 PolarHBondContact O-N 2.84Å; E143-M145 VanDerWaalsContact C-N 3.29Å; E143-M145 PolarHBondContact O-N 3.18Å; M145-E147 VanDerWaalsContact C-N 3.34Å; M145-E147 PolarHBondContact O-N 3.38Å
146V50.5Low64.4Low116 Ų11693.6 Ų93.670%0.70343%0.434SS*.  trans-80.172.6-168.1-170.40000112.9E143E143-V146 WeakPolarHBondContact O-CG2 3.32Å
147E54.3Low63.9Low129 Ų12989.6 Ų89.660%0.60342%0.422SS*.  trans-90.1147.1150-67-160.8148.400109.8M145 I149M145-E147 VanDerWaalsContact C-N 3.34Å; M145-E147 PolarHBondContact O-N 3.38Å; E147-I149 VanDerWaalsContact C-N 3.32Å; E147-I149 HydrophobicContact CB-CD1 4.48Å; E147-I149 HydrophobicContact CB-CG1 4.23Å; E147-I149 PolarHBondContact O-N 3.49Å
148R50.9Low63.3Low251 Ų25186.6 Ų86.695%0.94741%0.408SS*.  trans-79.581.8178.5-79.8-172.2173.7-175.6-1.3110.8N150R148-N150 PolarHBondContact O-N 2.92Å
149I55.7Low62.7Low43 Ų4386 Ų8622%0.22141%0.405CS..  trans-80.9116.3-175.3-62.7157.6000109.2L120 A124 E147 A151L120-I149 HydrophobicContact CB-CB 4.5Å; L120-I149 HydrophobicContact CB-CD1 4.01Å; L120-I149 HydrophobicContact CB-CG2 4.39Å; L120-I149 HydrophobicContact CD2-CG2 4.04Å; L120-I149 WeakPolarHBondContact O-CD1 3.45Å; A124-I149 HydrophobicContact CB-CD1 3.51Å; A124-I149 HydrophobicContact CB-CG1 3.56Å; A124-I149 HydrophobicContact CB-CG2 4.17Å; E147-I149 VanDerWaalsContact C-N 3.32Å; E147-I149 HydrophobicContact CB-CD1 4.48Å; E147-I149 HydrophobicContact CB-CG1 4.23Å; E147-I149 PolarHBondContact O-N 3.49Å; I149-A151 PolarHBondContact O-N 2.79Å
150N62.2Low62.3Low86 Ų8684.5 Ų84.546%0.4640%0.399SS..  trans-75.292.2177.9-173-23.3000109.9R148 E152 R153 Y154R148-N150 PolarHBondContact O-N 2.92Å; N150-E152 PolarHBondContact O-N 3.46Å; N150-E152 WeakPolarHBondContact OD1-CA 3.46Å; N150-E152 VanDerWaalsContact OD1-CB 3.22Å; N150-E152 WeakPolarHBondContact OD1-CB 3.35Å; N150-E152 PolarHBondContact OD1-N 2.93Å; N150-R153 HydrophobicContact CB-CB 4.02Å; N150-R153 WeakPolarHBondContact O-CB 3.23Å; N150-R153 PolarHBondContact O-N 3.22Å; N150-R153 PolarHBondContact OD1-N 3.27Å; N150-Y154 PolarHBondContact O-N 3.21Å
151A62.6Low61.8Low33 Ų3379.7 Ų79.727%0.27337%0.373SS..Hα-helixtrans-61.6-31.4176.700000112.8L120 I149 Y154 Q155L120-A151 HydrophobicContact CD2-CB 3.95Å; I149-A151 PolarHBondContact O-N 2.79Å; A151-Y154 PolarHBondContact O-N 3.32Å; A151-Q155 WeakPolarHBondContact O-CB 3.47Å; A151-Q155 PolarHBondContact O-N 3.35Å
152E64.2Low61.4Low137 Ų13777.3 Ų77.364%0.6436%0.359SS*.Hα-helixtrans-62.6-45.5175-48.1170.616500109.7N150 Y154 Q155 E156N150-E152 PolarHBondContact O-N 3.46Å; N150-E152 WeakPolarHBondContact OD1-CA 3.46Å; N150-E152 VanDerWaalsContact OD1-CB 3.22Å; N150-E152 WeakPolarHBondContact OD1-CB 3.35Å; N150-E152 PolarHBondContact OD1-N 2.93Å; E152-Y154 VanDerWaalsContact C-N 3.35Å; E152-Y154 PolarHBondContact O-N 2.96Å; E152-Q155 CarbonylContact O-C 3.57Å; E152-Q155 WeakPolarHBondContact O-CA 3.44Å; E152-Q155 WeakPolarHBondContact O-CB 3.24Å; E152-Q155 PolarHBondContact O-N 2.81Å; E152-Q155 VanDerWaalsContact O-N 3.14Å; E152-E156 WeakPolarHBondContact O-CG 3.38Å; E152-E156 PolarHBondContact O-N 2.76Å
153R67.9Low61.3Low157 Ų15777.3 Ų77.359%0.59236%0.356SS*.Hα-helixtrans-62.2-38.5177.4-168.8-177.1-172.1-1724.8112.6N150 Q157N150-R153 HydrophobicContact CB-CB 4.02Å; N150-R153 WeakPolarHBondContact O-CB 3.23Å; N150-R153 PolarHBondContact O-N 3.22Å; N150-R153 PolarHBondContact OD1-N 3.27Å; R153-Q157 WeakPolarHBondContact O-CB 3Å; R153-Q157 VanDerWaalsContact O-CG 3.27Å; R153-Q157 WeakPolarHBondContact O-CG 3.29Å; R153-Q157 PolarHBondContact O-N 2.87Å
154Y67.5Low61.5Low15 Ų1578.3 Ų78.36%0.05935%0.352CS..Hα-helixtrans-66.7-43173.6-177.6-108.3000111.2M84 W85 F93 V94 L97 L123 N150 A151 E152 Q157 V158M84-Y154 HydrophobicContact CB-CE2 4.08Å; M84-Y154 PolarHBondContact O-OH 3.3Å; W85-Y154 HydrophobicContact CB-CE2 4.34Å; F93-Y154 HydrophobicContact CB-CE1 4.32Å; V94-Y154 HydrophobicContact CG2-CD1 3.83Å; V94-Y154 HydrophobicContact CG2-CE1 3.67Å; L97-Y154 HydrophobicContact CD1-CD1 4.25Å; L123-Y154 HydrophobicContact CD1-CD1 3.98Å; L123-Y154 HydrophobicContact CD1-CE1 3.72Å; L123-Y154 HydrophobicContact CD2-CE1 4.08Å; L123-Y154 HydrophobicContact CD2-CE2 3.88Å; N150-Y154 PolarHBondContact O-N 3.21Å; A151-Y154 PolarHBondContact O-N 3.32Å; E152-Y154 VanDerWaalsContact C-N 3.35Å; E152-Y154 PolarHBondContact O-N 2.96Å; Y154-Q157 PolarHBondContact O-N 3.11Å; Y154-V158 HydrophobicContact CD1-CG2 4.23Å; Y154-V158 HydrophobicContact CD2-CG2 4.33Å; Y154-V158 HydrophobicContact CE1-CG2 3.73Å; Y154-V158 HydrophobicContact CE2-CG2 3.84Å; Y154-V158 VanDerWaalsContact CZ-CG2 3.49Å; Y154-V158 WeakPolarHBondContact O-CG2 3.33Å; Y154-V158 PolarHBondContact O-N 2.89Å
155Q65.5Low61.4Low33 Ų3370.4 Ų70.415%0.15433%0.326CS..Hα-helixtrans-58.5-48.3173.1168.6171-75.700111.8V94 R98 A151 E152 Q157 V158 I159V94-Q155 HydrophobicContact CG1-CB 4.22Å; V94-Q155 HydrophobicContact CG1-CG 4.14Å; R98-Q155 VanDerWaalsContact CZ-OE1 3.29Å; A151-Q155 WeakPolarHBondContact O-CB 3.47Å; A151-Q155 PolarHBondContact O-N 3.35Å; E152-Q155 CarbonylContact O-C 3.57Å; E152-Q155 WeakPolarHBondContact O-CA 3.44Å; E152-Q155 WeakPolarHBondContact O-CB 3.24Å; E152-Q155 PolarHBondContact O-N 2.81Å; E152-Q155 VanDerWaalsContact O-N 3.14Å; Q155-Q157 VanDerWaalsContact C-N 3.32Å; Q155-Q157 PolarHBondContact O-N 3.37Å; Q155-V158 PolarHBondContact O-N 3.14Å; Q155-I159 HydrophobicContact CG-CD1 3.59Å; Q155-I159 HydrophobicContact CG-CG1 4.36Å; Q155-I159 WeakPolarHBondContact O-CB 3.18Å; Q155-I159 WeakPolarHBondContact O-CD1 3.45Å; Q155-I159 WeakPolarHBondContact O-CG1 3.48Å; Q155-I159 PolarHBondContact O-N 3.25Å
156E66.4Low61.2Low65 Ų6570.4 Ų70.430%0.30433%0.326SS..Hα-helixtrans-55.5-45.8175.4-72.1-174.9148.600111.2E152 I159 C160 L182 R185E152-E156 WeakPolarHBondContact O-CG 3.38Å; E152-E156 PolarHBondContact O-N 2.76Å; E156-I159 PolarHBondContact O-N 3.14Å; E156-C160 WeakPolarHBondContact O-CB 3.24Å; E156-C160 PolarHBondContact O-N 3.49Å; E156-C160 PolarHBondContact O-SG 3.15Å; E156-L182 HydrophobicContact CB-CD1 4.36Å; E156-L182 HydrophobicContact CB-CD2 4.16Å; E156-L182 HydrophobicContact CG-CD1 3.8Å; E156-L182 HydrophobicContact CG-CD2 3.83Å; E156-L182 HydrophobicContact CG-CG 4.42Å; E156-L182 WeakPolarHBondContact OE1-CD1 3.24Å; E156-R185 IonicContact OE1-NH1 2.87Å; E156-R185 IonicContact OE1-NH2 2.7Å
157Q67.8Low61.4Low57 Ų5766.5 Ų66.527%0.26630%0.302SS..Hα-helixtrans-67.5-41179.9-72.8175.8-21.500113.2W85 R153 Y154 Q155 C160 Y161W85-Q157 HydrophobicContact CB-CB 3.57Å; W85-Q157 HydrophobicContact CD2-CB 4.24Å; W85-Q157 HydrophobicContact CG-CB 3.81Å; R153-Q157 WeakPolarHBondContact O-CB 3Å; R153-Q157 VanDerWaalsContact O-CG 3.27Å; R153-Q157 WeakPolarHBondContact O-CG 3.29Å; R153-Q157 PolarHBondContact O-N 2.87Å; Y154-Q157 PolarHBondContact O-N 3.11Å; Q155-Q157 VanDerWaalsContact C-N 3.32Å; Q155-Q157 PolarHBondContact O-N 3.37Å; Q157-C160 PolarHBondContact O-N 3.14Å; Q157-Y161 WeakPolarHBondContact O-CB 3.48Å; Q157-Y161 PolarHBondContact O-N 3.2Å
158V65.5Low61.1Low5 Ų560.6 Ų60.63%0.0327%0.274CS..Hα-helixtrans-69.8-37.9176.7171.20000111.3W85 P91 V94 Y154 Q155 Y161 A162W85-V158 HydrophobicContact CB-CG2 3.98Å; P91-V158 HydrophobicContact CB-CG1 4.49Å; P91-V158 HydrophobicContact CG-CG1 4.08Å; V94-V158 HydrophobicContact CG2-CB 3.75Å; V94-V158 HydrophobicContact CG2-CG1 3.77Å; V94-V158 HydrophobicContact CG2-CG2 3.86Å; Y154-V158 HydrophobicContact CD1-CG2 4.23Å; Y154-V158 HydrophobicContact CD2-CG2 4.33Å; Y154-V158 HydrophobicContact CE1-CG2 3.73Å; Y154-V158 HydrophobicContact CE2-CG2 3.84Å; Y154-V158 VanDerWaalsContact CZ-CG2 3.49Å; Y154-V158 WeakPolarHBondContact O-CG2 3.33Å; Y154-V158 PolarHBondContact O-N 2.89Å; Q155-V158 PolarHBondContact O-N 3.14Å; V158-Y161 PolarHBondContact O-N 3.01Å; V158-A162 WeakPolarHBondContact O-CB 3.36Å; V158-A162 PolarHBondContact O-N 2.86Å
159I63.7Low61Low5 Ų555.4 Ų55.43%0.02626%0.255CS..Hα-helixtrans-60.5-52171.6-70.4167000109.7Q155 E156 Y161 A162 M163 M173 I179 L182Q155-I159 HydrophobicContact CG-CD1 3.59Å; Q155-I159 HydrophobicContact CG-CG1 4.36Å; Q155-I159 WeakPolarHBondContact O-CB 3.18Å; Q155-I159 WeakPolarHBondContact O-CD1 3.45Å; Q155-I159 WeakPolarHBondContact O-CG1 3.48Å; Q155-I159 PolarHBondContact O-N 3.25Å; E156-I159 PolarHBondContact O-N 3.14Å; I159-Y161 PolarHBondContact O-N 2.89Å; I159-A162 PolarHBondContact O-N 3.22Å; I159-M163 HydrophobicContact CG2-CG 4.25Å; I159-M163 HydrophobicContact CG2-SD 3.71Å; I159-M163 WeakPolarHBondContact O-CB 3.42Å; I159-M163 VanDerWaalsContact O-CG 3.27Å; I159-M163 WeakPolarHBondContact O-CG 3.27Å; I159-M163 PolarHBondContact O-N 3.45Å; I159-M173 HydrophobicContact CD1-CE 4.1Å; I159-M173 HydrophobicContact CD1-SD 3.7Å; I159-M173 HydrophobicContact CG1-CE 3.84Å; I159-M173 HydrophobicContact CG1-SD 3.67Å; I159-I179 HydrophobicContact CD1-CD1 4.2Å; I159-I179 HydrophobicContact CD1-CG1 4.21Å; I159-I179 HydrophobicContact CD1-CG2 3.99Å; I159-L182 HydrophobicContact CB-CD2 4.4Å; I159-L182 HydrophobicContact CD1-CD2 4.09Å; I159-L182 HydrophobicContact CG2-CD2 4.14Å
160C65.6Low60.8Low29 Ų2953.6 Ų53.620%0.19625%0.245CC..Hα-helixtrans-57.3-37.2176.6-71.10000112.4E156 Q157 R164E156-C160 WeakPolarHBondContact O-CB 3.24Å; E156-C160 PolarHBondContact O-N 3.49Å; E156-C160 PolarHBondContact O-SG 3.15Å; Q157-C160 PolarHBondContact O-N 3.14Å; C160-R164 VanDerWaalsContact O-CB 3.32Å; C160-R164 WeakPolarHBondContact O-CB 3.19Å; C160-R164 WeakPolarHBondContact O-CG 3.32Å; C160-R164 PolarHBondContact O-N 2.82Å; C160-R164 VanDerWaalsContact O-N 3.14Å
161Y65.1Low60Low21 Ų2153.1 Ų53.18%0.08224%0.243CC..Hα-helixtrans-68.8-47.7176.8179.5-111.6000112.3W85 Q86 Q157 V158 I159 R164 T165 F219 Y223W85-Y161 WeakPolarHBondContact O-CB 3.46Å; W85-Y161 VanDerWaalsContact O-CD1 3.24Å; W85-Y161 WeakPolarHBondContact O-CD1 3.34Å; Q86-Y161 HydrophobicContact CB-CD2 4.17Å; Q86-Y161 HydrophobicContact CB-CE1 4.27Å; Q86-Y161 HydrophobicContact CB-CE2 3.8Å; Q86-Y161 HydrophobicContact CG-CD2 3.63Å; Q86-Y161 HydrophobicContact CG-CE2 3.54Å; Q86-Y161 HydrophobicContact CG-CG 4.27Å; Q157-Y161 WeakPolarHBondContact O-CB 3.48Å; Q157-Y161 PolarHBondContact O-N 3.2Å; V158-Y161 PolarHBondContact O-N 3.01Å; I159-Y161 PolarHBondContact O-N 2.89Å; Y161-R164 PolarHBondContact O-N 3.36Å; Y161-T165 HydrophobicContact CD2-CG2 3.85Å; Y161-T165 HydrophobicContact CE2-CG2 3.35Å; Y161-T165 WeakPolarHBondContact O-CB 3.36Å; Y161-T165 PolarHBondContact O-N 3.35Å; Y161-T165 PolarHBondContact O-OG1 2.91Å; Y161-F219 WeakPolarHBondContact OH-CE1 3.48Å; Y161-Y223 HydrophobicContact CD1-CE1 4.34Å; Y161-Y223 HydrophobicContact CE1-CD1 4.41Å; Y161-Y223 AromaticContact CE1-CE1 3.75Å; Y161-Y223 HydrophobicContact CE1-CE1 3.75Å; Y161-Y223 HydrophobicContact CE1-CE2 4.44Å; Y161-Y223 AromaticContact CE1-CZ 3.78Å
162A60.3Low59.1Low5 Ų553.6 Ų53.64%0.04125%0.246CC..Hα-helixtrans-58.9-52.5176.900000110.8V158 I159 R164 T165 L166 V168V158-A162 WeakPolarHBondContact O-CB 3.36Å; V158-A162 PolarHBondContact O-N 2.86Å; I159-A162 PolarHBondContact O-N 3.22Å; A162-R164 VanDerWaalsContact C-N 3.26Å; A162-R164 PolarHBondContact O-N 3.07Å; A162-T165 PolarHBondContact O-N 3.18Å; A162-T165 VanDerWaalsContact O-N 3.08Å; A162-L166 PolarHBondContact O-N 3.01Å; A162-V168 HydrophobicContact CB-CB 4.37Å; A162-V168 HydrophobicContact CB-CG2 4.09Å; A162-V168 VanDerWaalsContact O-CG2 3.3Å; A162-V168 WeakPolarHBondContact O-CG2 3.25Å
163M59.8Low58.2Low45 Ų4547.6 Ų47.622%0.22222%0.219CC..Hα-helixtrans-51.8-43.1175.9-68.8177.775.800112.3I159 V168 L186I159-M163 HydrophobicContact CG2-CG 4.25Å; I159-M163 HydrophobicContact CG2-SD 3.71Å; I159-M163 WeakPolarHBondContact O-CB 3.42Å; I159-M163 VanDerWaalsContact O-CG 3.27Å; I159-M163 WeakPolarHBondContact O-CG 3.27Å; I159-M163 PolarHBondContact O-N 3.45Å; M163-V168 WeakPolarHBondContact CG-O 3.4Å; M163-L186 HydrophobicContact SD-CD1 4.09Å
164R61.4Low57.3Low198 Ų19843.3 Ų43.375%0.74720%0.203SC*.Hα-helixtrans-77.5-18-179.4-73.4176.7-178.6-163.91.3115.6C160 Y161 A162C160-R164 VanDerWaalsContact O-CB 3.32Å; C160-R164 WeakPolarHBondContact O-CB 3.19Å; C160-R164 WeakPolarHBondContact O-CG 3.32Å; C160-R164 PolarHBondContact O-N 2.82Å; C160-R164 VanDerWaalsContact O-N 3.14Å; Y161-R164 PolarHBondContact O-N 3.36Å; A162-R164 VanDerWaalsContact C-N 3.26Å; A162-R164 PolarHBondContact O-N 3.07Å
165T56.6Low56.5Low36 Ų3646 Ų4622%0.22124%0.235CC..Hα-helixtrans-121.8-16.4-171.556.10000115.7Y161 A162 H220Y161-T165 HydrophobicContact CD2-CG2 3.85Å; Y161-T165 HydrophobicContact CE2-CG2 3.35Å; Y161-T165 WeakPolarHBondContact O-CB 3.36Å; Y161-T165 PolarHBondContact O-N 3.35Å; Y161-T165 PolarHBondContact O-OG1 2.91Å; A162-T165 PolarHBondContact O-N 3.18Å; A162-T165 VanDerWaalsContact O-N 3.08Å; T165-H220 PolarHBondContact O-CE1 3.28Å; T165-H220 VanDerWaalsContact O-CE1 3.23Å; T165-H220 PolarHBondContact O-ND1 3.08Å
166L51.3Low55.7Low13 Ų1346.6 Ų46.67%0.06824%0.24CC..Hα-helixtrans-131.78-178.2-75.3-176.5000113.2A162 V168 Y223 R224 F238A162-L166 PolarHBondContact O-N 3.01Å; L166-V168 VanDerWaalsContact C-CG2 3.45Å; L166-V168 HydrophobicContact CB-CG2 3.29Å; L166-V168 WeakPolarHBondContact O-CG2 3.33Å; L166-V168 PolarHBondContact O-N 3.46Å; L166-Y223 HydrophobicContact CD1-CD1 3.48Å; L166-Y223 VanDerWaalsContact CD1-CD1 3.48Å; L166-Y223 HydrophobicContact CD1-CE1 3.24Å; L166-Y223 HydrophobicContact CD1-CG 4.37Å; L166-Y223 HydrophobicContact CD2-CD1 4.11Å; L166-Y223 HydrophobicContact CG-CD1 3.68Å; L166-Y223 HydrophobicContact CG-CE1 3.6Å; L166-R224 HydrophobicContact CD2-CB 4.04Å; L166-F238 HydrophobicContact CB-CE1 4.5Å; L166-F238 HydrophobicContact CD1-CE1 3.71Å; L166-F238 HydrophobicContact CD1-CZ 3.75Å; L166-F238 HydrophobicContact CD2-CE1 3.97Å; L166-F238 HydrophobicContact CG-CE1 4.28Å
167D54.3Low55.2Low34 Ų3448.3 Ų48.318%0.18226%0.256CS..  trans64.639.3172.3-147.23.8000113.2L239 G241 G242D167-L239 WeakPolarHBondContact CB-O 3.41Å; D167-L239 VanDerWaalsContact O-O 3.06Å; D167-G241 WeakPolarHBondContact OD2-CA 3.3Å; D167-G241 PolarHBondContact OD2-N 2.62Å; D167-G242 WeakPolarHBondContact OD1-CA 3.31Å; D167-G242 PolarHBondContact OD1-N 3.02Å; D167-G242 PolarHBondContact OD2-N 3.46Å
168V49.2Very low54.3Low4 Ų449.2 Ų49.22%0.02427%0.269CS..  trans-91129.1-157.7-173.50000113.3A162 M163 L166 P170 S236 F237A162-V168 HydrophobicContact CB-CB 4.37Å; A162-V168 HydrophobicContact CB-CG2 4.09Å; A162-V168 VanDerWaalsContact O-CG2 3.3Å; A162-V168 WeakPolarHBondContact O-CG2 3.25Å; M163-V168 WeakPolarHBondContact CG-O 3.4Å; L166-V168 VanDerWaalsContact C-CG2 3.45Å; L166-V168 HydrophobicContact CB-CG2 3.29Å; L166-V168 WeakPolarHBondContact O-CG2 3.33Å; L166-V168 PolarHBondContact O-N 3.46Å; V168-P170 HydrophobicContact CG1-CB 4.47Å; V168-P170 HydrophobicContact CG1-CG 4.36Å; V168-S236 WeakPolarHBondContact CG1-O 3.3Å; V168-F237 HydrophobicContact CG1-CD1 4.41Å; V168-F237 WeakPolarHBondContact CG2-O 3.38Å
169R49Very low53.5Low143 Ų14349.1 Ų49.154%0.5427%0.268SS..  trans-124.294.3166.4-53.9-170.5-158.2-176.98.6110.4L171 S236 L239R169-L171 PolarHBondContact O-N 2.7Å; R169-S236 CarbonylContact C-O 3.55Å; R169-L239 HydrophobicContact CB-CD1 3.89Å; R169-L239 HydrophobicContact CG-CD1 4.14Å
170P50.1Low52.8Low4 Ų454.9 Ų54.93%0.02629%0.29CS..  trans-79.485.7-168.826.1-24.3000112.9V168 A172 M173 Y174 S236V168-P170 HydrophobicContact CG1-CB 4.47Å; V168-P170 HydrophobicContact CG1-CG 4.36Å; P170-A172 PolarHBondContact O-N 3.34Å; P170-M173 HydrophobicContact CB-CB 3.86Å; P170-M173 HydrophobicContact CB-CG 3.79Å; P170-M173 HydrophobicContact CB-SD 3.89Å; P170-M173 HydrophobicContact CG-CB 3.9Å; P170-M173 HydrophobicContact CG-CG 3.98Å; P170-M173 HydrophobicContact CG-SD 3.54Å; P170-M173 VanDerWaalsContact CG-SD 3.54Å; P170-M173 CarbonylContact O-C 3.1Å; P170-M173 WeakPolarHBondContact O-CA 3.48Å; P170-M173 WeakPolarHBondContact O-CB 3.32Å; P170-M173 PolarHBondContact O-N 3.27Å; P170-Y174 VanDerWaalsContact C-CD2 3.5Å; P170-Y174 WeakPolarHBondContact O-CD2 3.48Å; P170-Y174 PolarHBondContact O-N 3.33Å; P170-Y174 VanDerWaalsContact O-N 3.14Å; P170-S236 VanDerWaalsContact CA-CB 3.49Å; P170-S236 WeakPolarHBondContact CA-O 3.24Å; P170-S236 WeakPolarHBondContact CA-OG 3.22Å; P170-S236 WeakPolarHBondContact CB-OG 3.11Å
171L46Very low52.3Low77 Ų7755.6 Ų55.640%0.40330%0.297SS..G310 helixtrans-29.4-51.1156.9-82.6142.5000113.4R169 M173 Y174R169-L171 PolarHBondContact O-N 2.7Å; L171-M173 PolarHBondContact O-N 3.44Å; L171-Y174 PolarHBondContact O-N 3.05Å
172A43.9Very low51.5Low42 Ų4255.2 Ų55.235%0.34730%0.297SS..G310 helixtrans-68.1-14.6178.400000114.8P170 D234P170-A172 PolarHBondContact O-N 3.34Å; A172-D234 WeakPolarHBondContact CB-OD1 3.26Å
173M45.6Very low51Low12 Ų1255.4 Ų55.46%0.05930%0.297CS..G310 helixtrans-97.1-18.5172.6-68.9-175.4166.600114I159 P170 L171 G175 D176 I179 F237I159-M173 HydrophobicContact CD1-CE 4.1Å; I159-M173 HydrophobicContact CD1-SD 3.7Å; I159-M173 HydrophobicContact CG1-CE 3.84Å; I159-M173 HydrophobicContact CG1-SD 3.67Å; P170-M173 HydrophobicContact CB-CB 3.86Å; P170-M173 HydrophobicContact CB-CG 3.79Å; P170-M173 HydrophobicContact CB-SD 3.89Å; P170-M173 HydrophobicContact CG-CB 3.9Å; P170-M173 HydrophobicContact CG-CG 3.98Å; P170-M173 HydrophobicContact CG-SD 3.54Å; P170-M173 VanDerWaalsContact CG-SD 3.54Å; P170-M173 CarbonylContact O-C 3.1Å; P170-M173 WeakPolarHBondContact O-CA 3.48Å; P170-M173 WeakPolarHBondContact O-CB 3.32Å; P170-M173 PolarHBondContact O-N 3.27Å; L171-M173 PolarHBondContact O-N 3.44Å; M173-G175 PolarHBondContact O-N 3.34Å; M173-G175 VanDerWaalsContact O-N 3.11Å; M173-D176 PolarHBondContact O-N 3.4Å; M173-I179 HydrophobicContact CB-CD1 3.81Å; M173-I179 HydrophobicContact CB-CG2 3.99Å; M173-I179 HydrophobicContact CG-CD1 4.03Å; M173-I179 HydrophobicContact SD-CD1 4.21Å; M173-I179 HydrophobicContact SD-CG2 4.46Å; M173-F237 HydrophobicContact CE-CZ 4.23Å
174Y48.7Very low50.7Low66 Ų6657.2 Ų57.226%0.25931%0.307SS..THydrogen-bonded Turntrans-68.5-5.6175.8-72.8-85.2000113.7P170 L171 D176 R180 I183P170-Y174 VanDerWaalsContact C-CD2 3.5Å; P170-Y174 WeakPolarHBondContact O-CD2 3.48Å; P170-Y174 PolarHBondContact O-N 3.33Å; P170-Y174 VanDerWaalsContact O-N 3.14Å; L171-Y174 PolarHBondContact O-N 3.05Å; Y174-D176 VanDerWaalsContact C-N 3.3Å; Y174-R180 PolarHBondContact O-NH1 2.87Å; Y174-I183 HydrophobicContact CD1-CD1 4.22Å; Y174-I183 HydrophobicContact CE1-CD1 3.65Å; Y174-I183 HydrophobicContact CE1-CG2 4.27Å; Y174-I183 HydrophobicContact CE2-CD1 4.25Å
175G49.9Very low50.5Low72 Ų7253.8 Ų53.874%0.74230%0.295SS*.THydrogen-bonded Turntrans-71.3-21167.200000114M173 P177M173-G175 PolarHBondContact O-N 3.34Å; M173-G175 VanDerWaalsContact O-N 3.11Å; G175-P177 WeakPolarHBondContact O-CD 3.45Å
176D49.9Very low49.8Very low46 Ų4655 Ų5525%0.24630%0.299CS..SBendtrans-93.7115.4175.2179.3-2.1000110.1M173 Y174 S178 I179 R180M173-D176 PolarHBondContact O-N 3.4Å; Y174-D176 VanDerWaalsContact C-N 3.3Å; D176-S178 PolarHBondContact O-N 2.74Å; D176-S178 WeakPolarHBondContact OD1-CA 3.31Å; D176-S178 WeakPolarHBondContact OD1-CB 3.38Å; D176-S178 PolarHBondContact OD1-N 3.36Å; D176-S178 PolarHBondContact OD1-OG 3.18Å; D176-I179 HydrophobicContact CB-CB 4.33Å; D176-I179 HydrophobicContact CB-CD1 3.76Å; D176-I179 HydrophobicContact CB-CG1 4.01Å; D176-I179 PolarHBondContact O-N 3.28Å; D176-I179 WeakPolarHBondContact OD2-CD1 3.48Å; D176-I179 WeakPolarHBondContact OD2-CG1 3.34Å; D176-R180 PolarHBondContact O-N 3.07Å
177P55.8Low49.6Very low101 Ų10159.3 Ų59.366%0.65633%0.326SS*.Hα-helixtrans-56.1-30.9176.6-24.734.9000113.4G175 I179 R180 A181G175-P177 WeakPolarHBondContact O-CD 3.45Å; P177-I179 VanDerWaalsContact C-N 3.29Å; P177-I179 PolarHBondContact O-N 3.4Å; P177-R180 PolarHBondContact O-N 2.87Å; P177-A181 VanDerWaalsContact O-CB 3.3Å; P177-A181 WeakPolarHBondContact O-CB 3.48Å; P177-A181 PolarHBondContact O-N 3.22Å
178S48.8Very low49.1Very low76 Ų7661.8 Ų61.853%0.53135%0.346SS..Hα-helixtrans-64.6-35.5179.2-34.10000111.5D176 L182D176-S178 PolarHBondContact O-N 2.74Å; D176-S178 WeakPolarHBondContact OD1-CA 3.31Å; D176-S178 WeakPolarHBondContact OD1-CB 3.38Å; D176-S178 PolarHBondContact OD1-N 3.36Å; D176-S178 PolarHBondContact OD1-OG 3.18Å; S178-L182 WeakPolarHBondContact O-CB 3.19Å; S178-L182 PolarHBondContact O-N 3.09Å
179I47.5Very low48.5Very low2 Ų266.2 Ų66.21%0.0137%0.373CS..Hα-helixtrans-85.7-35.3179.8-56.2167.6000111I159 M173 D176 P177 A181 L182 I183I159-I179 HydrophobicContact CD1-CD1 4.2Å; I159-I179 HydrophobicContact CD1-CG1 4.21Å; I159-I179 HydrophobicContact CD1-CG2 3.99Å; M173-I179 HydrophobicContact CB-CD1 3.81Å; M173-I179 HydrophobicContact CB-CG2 3.99Å; M173-I179 HydrophobicContact CG-CD1 4.03Å; M173-I179 HydrophobicContact SD-CD1 4.21Å; M173-I179 HydrophobicContact SD-CG2 4.46Å; D176-I179 HydrophobicContact CB-CB 4.33Å; D176-I179 HydrophobicContact CB-CD1 3.76Å; D176-I179 HydrophobicContact CB-CG1 4.01Å; D176-I179 PolarHBondContact O-N 3.28Å; D176-I179 WeakPolarHBondContact OD2-CD1 3.48Å; D176-I179 WeakPolarHBondContact OD2-CG1 3.34Å; P177-I179 VanDerWaalsContact C-N 3.29Å; P177-I179 PolarHBondContact O-N 3.4Å; I179-A181 VanDerWaalsContact C-N 3.31Å; I179-A181 PolarHBondContact O-N 3.18Å; I179-L182 WeakPolarHBondContact O-CB 3.29Å; I179-L182 PolarHBondContact O-N 3.01Å; I179-L182 VanDerWaalsContact O-N 3.11Å; I179-I183 HydrophobicContact CG2-CD1 3.94Å; I179-I183 HydrophobicContact CG2-CG1 4.26Å; I179-I183 WeakPolarHBondContact O-CB 3.44Å; I179-I183 VanDerWaalsContact O-CG1 3.32Å; I179-I183 WeakPolarHBondContact O-CG1 3.44Å; I179-I183 PolarHBondContact O-N 3.49Å
180R50.5Low47.7Very low127 Ų12764.4 Ų64.448%0.47938%0.38SS..Hα-helixtrans-55.7-50.8166.2175.8170.9-82.5127.7-3.2109.7Y174 D176 P177 L182 I183 D184Y174-R180 PolarHBondContact O-NH1 2.87Å; D176-R180 PolarHBondContact O-N 3.07Å; P177-R180 PolarHBondContact O-N 2.87Å; R180-L182 VanDerWaalsContact C-N 3.26Å; R180-L182 PolarHBondContact O-N 3.46Å; R180-I183 PolarHBondContact O-N 2.94Å; R180-I183 VanDerWaalsContact O-N 3.11Å; R180-D184 WeakPolarHBondContact CG-OD2 3.32Å; R180-D184 WeakPolarHBondContact O-CB 3.37Å; R180-D184 PolarHBondContact O-N 2.72Å
181A54.1Low47Very low43 Ų4371.2 Ų71.236%0.35542%0.415SS..Hα-helixtrans-63.6-24.9175.100000114.2P177 I179 R185P177-A181 VanDerWaalsContact O-CB 3.3Å; P177-A181 WeakPolarHBondContact O-CB 3.48Å; P177-A181 PolarHBondContact O-N 3.22Å; I179-A181 VanDerWaalsContact C-N 3.31Å; I179-A181 PolarHBondContact O-N 3.18Å; A181-R185 VanDerWaalsContact O-CB 3.31Å; A181-R185 WeakPolarHBondContact O-CB 3.38Å; A181-R185 WeakPolarHBondContact O-CG 3.34Å; A181-R185 PolarHBondContact O-N 3.02Å; A181-R185 VanDerWaalsContact O-N 3.15Å; A181-R185 PolarHBondContact O-NE 3.15Å
182L49.7Very low46.3Very low13 Ų1373.5 Ų73.57%0.06844%0.435CS..Hα-helixtrans-72.6-46.5169.8-18069000111.6E156 I159 S178 I179 R180 R185 L186E156-L182 HydrophobicContact CB-CD1 4.36Å; E156-L182 HydrophobicContact CB-CD2 4.16Å; E156-L182 HydrophobicContact CG-CD1 3.8Å; E156-L182 HydrophobicContact CG-CD2 3.83Å; E156-L182 HydrophobicContact CG-CG 4.42Å; E156-L182 WeakPolarHBondContact OE1-CD1 3.24Å; I159-L182 HydrophobicContact CB-CD2 4.4Å; I159-L182 HydrophobicContact CD1-CD2 4.09Å; I159-L182 HydrophobicContact CG2-CD2 4.14Å; S178-L182 WeakPolarHBondContact O-CB 3.19Å; S178-L182 PolarHBondContact O-N 3.09Å; I179-L182 WeakPolarHBondContact O-CB 3.29Å; I179-L182 PolarHBondContact O-N 3.01Å; I179-L182 VanDerWaalsContact O-N 3.11Å; R180-L182 VanDerWaalsContact C-N 3.26Å; R180-L182 PolarHBondContact O-N 3.46Å; L182-R185 WeakPolarHBondContact O-CB 3.33Å; L182-R185 PolarHBondContact O-N 2.97Å; L182-L186 HydrophobicContact CD1-CD1 4.3Å; L182-L186 HydrophobicContact CD1-CG 4.43Å; L182-L186 HydrophobicContact CD2-CD1 4.41Å; L182-L186 HydrophobicContact CG-CD1 3.91Å; L182-L186 HydrophobicContact CG-CG 4.42Å; L182-L186 WeakPolarHBondContact O-CB 3.36Å; L182-L186 VanDerWaalsContact O-CG 3.27Å; L182-L186 WeakPolarHBondContact O-CG 3.21Å; L182-L186 PolarHBondContact O-N 3.36Å
183I48.4Very low45.8Very low9 Ų976.9 Ų76.95%0.04645%0.451CS..Hα-helixtrans-63.6-45.3178.7-69.2168.2000109.5Y174 I179 R180 R185 L186 T187Y174-I183 HydrophobicContact CD1-CD1 4.22Å; Y174-I183 HydrophobicContact CE1-CD1 3.65Å; Y174-I183 HydrophobicContact CE1-CG2 4.27Å; Y174-I183 HydrophobicContact CE2-CD1 4.25Å; I179-I183 HydrophobicContact CG2-CD1 3.94Å; I179-I183 HydrophobicContact CG2-CG1 4.26Å; I179-I183 WeakPolarHBondContact O-CB 3.44Å; I179-I183 VanDerWaalsContact O-CG1 3.32Å; I179-I183 WeakPolarHBondContact O-CG1 3.44Å; I179-I183 PolarHBondContact O-N 3.49Å; R180-I183 PolarHBondContact O-N 2.94Å; R180-I183 VanDerWaalsContact O-N 3.11Å; I183-R185 PolarHBondContact O-N 2.98Å; I183-L186 PolarHBondContact O-N 3.45Å; I183-L186 VanDerWaalsContact O-N 3.15Å; I183-T187 HydrophobicContact CG2-CG2 4.43Å; I183-T187 WeakPolarHBondContact O-CG2 3.47Å; I183-T187 PolarHBondContact O-N 3.12Å; I183-T187 PolarHBondContact O-OG1 3.34Å
184D54.8Low45Very low83 Ų8382.7 Ų82.744%0.44448%0.482SS..Hα-helixtrans-58.6-46.9175-61.1-25.4000110.3R180 L186 T187 S188R180-D184 WeakPolarHBondContact CG-OD2 3.32Å; R180-D184 WeakPolarHBondContact O-CB 3.37Å; R180-D184 PolarHBondContact O-N 2.72Å; D184-L186 PolarHBondContact O-N 2.98Å; D184-T187 PolarHBondContact O-N 3.42Å; D184-T187 PolarHBondContact O-OG1 3.16Å; D184-S188 VanDerWaalsContact O-CB 3.31Å; D184-S188 WeakPolarHBondContact O-CB 3.45Å; D184-S188 PolarHBondContact O-N 2.77Å; D184-S188 PolarHBondContact O-OG 3.02Å
185R56.3Low44.2Very low127 Ų12785.1 Ų85.148%0.47951%0.509SS..Hα-helixtrans-56.2-50.2171.5-81.2177.2-69.8157.13.7112E156 A181 L182 I183 T187 S188 V189E156-R185 IonicContact OE1-NH1 2.87Å; E156-R185 IonicContact OE1-NH2 2.7Å; A181-R185 VanDerWaalsContact O-CB 3.31Å; A181-R185 WeakPolarHBondContact O-CB 3.38Å; A181-R185 WeakPolarHBondContact O-CG 3.34Å; A181-R185 PolarHBondContact O-N 3.02Å; A181-R185 VanDerWaalsContact O-N 3.15Å; A181-R185 PolarHBondContact O-NE 3.15Å; L182-R185 WeakPolarHBondContact O-CB 3.33Å; L182-R185 PolarHBondContact O-N 2.97Å; I183-R185 PolarHBondContact O-N 2.98Å; R185-T187 VanDerWaalsContact C-N 3.34Å; R185-T187 PolarHBondContact O-N 2.81Å; R185-S188 WeakPolarHBondContact CA-OG 3.49Å; R185-S188 PolarHBondContact O-N 3.41Å; R185-S188 VanDerWaalsContact O-N 3.13Å; R185-S188 PolarHBondContact O-OG 2.91Å; R185-V189 WeakPolarHBondContact O-CG2 3.16Å; R185-V189 PolarHBondContact O-N 3.38Å; R185-V189 VanDerWaalsContact O-N 3.07Å
186L41.6Very low43.6Very low60 Ų6087 Ų8731%0.31451%0.506SS..Hα-helixtrans-64.3-33.7-178.8-72.9168.9000113.4M163 L182 I183 D184M163-L186 HydrophobicContact SD-CD1 4.09Å; L182-L186 HydrophobicContact CD1-CD1 4.3Å; L182-L186 HydrophobicContact CD1-CG 4.43Å; L182-L186 HydrophobicContact CD2-CD1 4.41Å; L182-L186 HydrophobicContact CG-CD1 3.91Å; L182-L186 HydrophobicContact CG-CG 4.42Å; L182-L186 WeakPolarHBondContact O-CB 3.36Å; L182-L186 VanDerWaalsContact O-CG 3.27Å; L182-L186 WeakPolarHBondContact O-CG 3.21Å; L182-L186 PolarHBondContact O-N 3.36Å; I183-L186 PolarHBondContact O-N 3.45Å; I183-L186 VanDerWaalsContact O-N 3.15Å; D184-L186 PolarHBondContact O-N 2.98Å
187T48.2Very low42.8Very low105 Ų10593.7 Ų93.764%0.64453%0.533SS*.Hα-helixtrans-78.8-24173.359.70000113.2I183 D184 R185I183-T187 HydrophobicContact CG2-CG2 4.43Å; I183-T187 WeakPolarHBondContact O-CG2 3.47Å; I183-T187 PolarHBondContact O-N 3.12Å; I183-T187 PolarHBondContact O-OG1 3.34Å; D184-T187 PolarHBondContact O-N 3.42Å; D184-T187 PolarHBondContact O-OG1 3.16Å; R185-T187 VanDerWaalsContact C-N 3.34Å; R185-T187 PolarHBondContact O-N 2.81Å
188S42.7Very low41.7Very low85 Ų8597 Ų9759%0.59455%0.545SS*.Hα-helixtrans-80.5-20.417576.10000114D184 R185 P190D184-S188 VanDerWaalsContact O-CB 3.31Å; D184-S188 WeakPolarHBondContact O-CB 3.45Å; D184-S188 PolarHBondContact O-N 2.77Å; D184-S188 PolarHBondContact O-OG 3.02Å; R185-S188 WeakPolarHBondContact CA-OG 3.49Å; R185-S188 PolarHBondContact O-N 3.41Å; R185-S188 VanDerWaalsContact O-N 3.13Å; R185-S188 PolarHBondContact O-OG 2.91Å; S188-P190 VanDerWaalsContact O-CD 3.28Å; S188-P190 WeakPolarHBondContact O-CD 3.35Å
189V36.2Very low41.1Very low97 Ų9797.1 Ų97.159%0.58854%0.542SS*.SBendtrans-71117.2171.1172.40000108.3R185 L191R185-V189 WeakPolarHBondContact O-CG2 3.16Å; R185-V189 PolarHBondContact O-N 3.38Å; R185-V189 VanDerWaalsContact O-N 3.07Å; V189-L191 PolarHBondContact O-N 3.31Å
190P33.6Very low40.4Very low105 Ų105101.9 Ų101.968%0.68257%0.568SS**PPolyproline II helixtrans-61.6133.1172.8-18.932.6000109.4S188S188-P190 VanDerWaalsContact O-CD 3.28Å; S188-P190 WeakPolarHBondContact O-CD 3.35Å
191L34.8Very low39.8Very low148 Ų148101 Ų10178%0.77558%0.578SS**PPolyproline II helixtrans-55.6134.5161.5-72.7170000107.7V189 T193V189-L191 PolarHBondContact O-N 3.31Å; L191-T193 PolarHBondContact O-N 2.83Å
192P31.7Very low39Very low124 Ų124107.9 Ų107.981%0.80560%0.601SS**  trans-66.498.7-171.725-34.1000111.2D194P192-D194 VanDerWaalsContact C-N 3.27Å
193T33Very low38.2Very low114 Ų114110.9 Ų110.970%0.69962%0.623SS**  trans-79.7-7.7177.5460000113.5L191 S195L191-T193 PolarHBondContact O-N 2.83Å; T193-S195 PolarHBondContact O-N 3.28Å
194D28.5Very low37.3Very low133 Ų133115.8 Ų115.871%0.71165%0.645SS**THydrogen-bonded Turntrans-91.887.7-165.1-65.2-37000113P192P192-D194 VanDerWaalsContact C-N 3.27Å
195S31.5Very low36.2Very low118 Ų118122.2 Ų122.283%0.82567%0.665SS**THydrogen-bonded Turntrans-176.1-5.6139.839.10000115T193 K197T193-S195 PolarHBondContact O-N 3.28Å; S195-K197 PolarHBondContact O-N 2.83Å
196V38.8Very low35Very low112 Ų112124.3 Ų124.368%0.67968%0.68SS**  trans-97.969.5-177.5-164.50000112.4V199V196-V199 HydrophobicContact CG1-CB 4.36Å
197K32.8Very low34.4Very low186 Ų186129.1 Ų129.181%0.80970%0.701SS**SBendtrans-127.647.7170.3-71.4-177-180168.40112.2S195S195-K197 PolarHBondContact O-N 2.83Å
198N33Very low33.5Very low171 Ų171129.7 Ų129.791%0.91471%0.708SS**SBendtrans-173.435.3165.2-100.1-17.5000113.5
199V34.9Very low33Very low77 Ų77130.6 Ų130.647%0.46771%0.714SS.*SBendtrans-126130.1177.6-175.70000109.7V196 H204V196-V199 HydrophobicContact CG1-CB 4.36Å; V199-H204 HydrophobicContact CG1-CB 4.11Å
200D32.3Very low33.1Very low102 Ų102131.4 Ų131.455%0.54572%0.724SS.*  trans-62.7124.3-180-172.8-31.8000110.3K202 S203D200-K202 PolarHBondContact O-N 3.46Å; D200-K202 PolarHBondContact OD1-N 3Å; D200-K202 VanDerWaalsContact OD1-N 3.13Å; D200-S203 PolarHBondContact O-N 3.37Å; D200-S203 PolarHBondContact O-OG 3.2Å
201P39.6Very low33.9Very low108 Ų108129.7 Ų129.770%0.70173%0.725SS**THydrogen-bonded Turntrans-64.90.3-174.826.8-36.1000114.9
202K36.2Very low35Very low189 Ų189126.5 Ų126.582%0.82271%0.712SS**THydrogen-bonded Turntrans-107.7-8.9178.7-66.6-179.4178.71770115.6D200D200-K202 PolarHBondContact O-N 3.46Å; D200-K202 PolarHBondContact OD1-N 3Å; D200-K202 VanDerWaalsContact OD1-N 3.13Å
203S33Very low36.7Very low76 Ų76122.6 Ų122.653%0.53169%0.687SS.*THydrogen-bonded Turntrans-103.7-25.8-173.160.50000115.4D200D200-S203 PolarHBondContact O-N 3.37Å; D200-S203 PolarHBondContact O-OG 3.2Å
204H29.8Very low38.2Very low112 Ų112122.6 Ų122.652%0.51968%0.68SS.*SBendtrans-102.4-5.6-171.1-106.2-77.3000116.8V199 Q206V199-H204 HydrophobicContact CG1-CB 4.11Å; H204-Q206 PolarHBondContact O-N 2.84Å
205Y31.6Very low39.9Very low217 Ų217118.9 Ų118.985%0.85166%0.658SS**THydrogen-bonded Turntrans-67.1-4.6179.8-109.2-80.4000114.8
206Q30.5Very low41.4Very low172 Ų172117.9 Ų117.980%0.80464%0.64SS**THydrogen-bonded Turntrans-113.19.6-168.2-143.816410.100114.5H204H204-Q206 PolarHBondContact O-N 2.84Å
207Q30.7Very low42.8Very low160 Ų160113.8 Ų113.875%0.74861%0.614SS**SBendtrans-127.88.4179.5-76.2-171.9-20.800115.4
208C29.3Very low44.4Very low117 Ų117105.3 Ų105.379%0.79158%0.579SS**  trans-111.628.6170.2-73.40000112.7S210C208-S210 PolarHBondContact O-N 3.22Å
209S30.7Very low46.1Very low105 Ų10597.4 Ų97.473%0.73454%0.536SS*.  trans-84.725.8179.349.70000113.8G211S209-G211 PolarHBondContact O-N 2.84Å
210S39.8Very low47.8Very low113 Ų11395.5 Ų95.579%0.7952%0.522SS*.  trans-70.492.9171.556.10000109.4C208C208-S210 PolarHBondContact O-N 3.22Å
211G48.9Very low49.6Very low69 Ų6990.9 Ų90.971%0.71150%0.498SS*.PPolyproline II helixtrans-55.9146.2-17900000112.8S209 S213S209-G211 PolarHBondContact O-N 2.84Å; G211-S213 PolarHBondContact O-N 3.15Å
212V58.3Low51.1Low81 Ų8186.1 Ų86.149%0.49147%0.466SS..PPolyproline II helixtrans-50.4130.1175.7177.10000109.5E216 M217 I248V212-E216 HydrophobicContact CG1-CB 3.86Å; V212-M217 HydrophobicContact CG1-CE 4.44Å; V212-I248 HydrophobicContact CG2-CD1 3.67Å
213S67.9Low52.9Low42 Ų4277.2 Ų77.229%0.29443%0.427SS..PPolyproline II helixtrans-63.3148.9-175.764.60000111.6G211 E215 E216 M217G211-S213 PolarHBondContact O-N 3.15Å; S213-E215 PolarHBondContact O-N 3.43Å; S213-E216 WeakPolarHBondContact CB-OE2 3.46Å; S213-E216 PolarHBondContact N-OE2 3.33Å; S213-E216 PolarHBondContact O-N 3.25Å; S213-E216 VanDerWaalsContact O-N 3.13Å; S213-E216 WeakPolarHBondContact OG-CB 3.44Å; S213-E216 VanDerWaalsContact OG-CD 3.26Å; S213-E216 VanDerWaalsContact OG-CG 3.23Å; S213-E216 WeakPolarHBondContact OG-CG 3.09Å; S213-E216 PolarHBondContact OG-N 3.38Å; S213-E216 VanDerWaalsContact OG-N 3.09Å; S213-E216 PolarHBondContact OG-OE2 2.89Å; S213-M217 PolarHBondContact O-N 3Å; S213-M217 VanDerWaalsContact O-N 3.07Å
214E64.3Low54.7Low115 Ų11577.6 Ų77.654%0.53742%0.417SS..Hα-helixtrans-52.6-31.4172.3-56.4-155.1151.400110.9A218 Y258 R270E214-A218 WeakPolarHBondContact O-CB 3.38Å; E214-A218 PolarHBondContact O-N 3.48Å; E214-Y258 WeakPolarHBondContact CB-OH 3.37Å; E214-Y258 WeakPolarHBondContact CG-OH 3.47Å; E214-Y258 PolarHBondContact OE1-OH 3.26Å; E214-Y258 PolarHBondContact OE2-OH 3.34Å; E214-R270 IonicContact OE2-NH1 3.72Å; E214-R270 PolarHBondContact OE2-NH1 3.21Å
215E63.1Low56.6Low55 Ų5577.4 Ų77.426%0.25741%0.412SS..Hα-helixtrans-70.1-43-179.4-57.2-164138.100113.3S213 F219 L274S213-E215 PolarHBondContact O-N 3.43Å; E215-F219 WeakPolarHBondContact O-CB 3.45Å; E215-F219 PolarHBondContact O-N 2.98Å; E215-L274 HydrophobicContact CB-CD1 3.87Å; E215-L274 HydrophobicContact CB-CD2 3.97Å; E215-L274 HydrophobicContact CB-CG 3.78Å; E215-L274 HydrophobicContact CG-CD1 4.31Å; E215-L274 HydrophobicContact CG-CD2 4.22Å; E215-L274 HydrophobicContact CG-CG 3.8Å; E215-L274 WeakPolarHBondContact OE1-CG 3.36Å
216E64.8Low58.5Low97 Ų9767.1 Ų67.145%0.45337%0.371SS..Hα-helixtrans-72.7-38.1176.3-73.2161.6133.700111.8V212 S213 F219 H220V212-E216 HydrophobicContact CG1-CB 3.86Å; S213-E216 WeakPolarHBondContact CB-OE2 3.46Å; S213-E216 PolarHBondContact N-OE2 3.33Å; S213-E216 PolarHBondContact O-N 3.25Å; S213-E216 VanDerWaalsContact O-N 3.13Å; S213-E216 WeakPolarHBondContact OG-CB 3.44Å; S213-E216 VanDerWaalsContact OG-CD 3.26Å; S213-E216 VanDerWaalsContact OG-CG 3.23Å; S213-E216 WeakPolarHBondContact OG-CG 3.09Å; S213-E216 PolarHBondContact OG-N 3.38Å; S213-E216 VanDerWaalsContact OG-N 3.09Å; S213-E216 PolarHBondContact OG-OE2 2.89Å; E216-F219 PolarHBondContact O-N 3.42Å; E216-H220 WeakPolarHBondContact O-CB 3.13Å; E216-H220 PolarHBondContact O-N 3.23Å
217M66.6Low60.4Low26 Ų2659 Ų5913%0.12833%0.333CS..Hα-helixtrans-63.4-46.4173.1-173.654.962.300111.1V212 S213 F219 H220 L221 I248 Y258V212-M217 HydrophobicContact CG1-CE 4.44Å; S213-M217 PolarHBondContact O-N 3Å; S213-M217 VanDerWaalsContact O-N 3.07Å; M217-F219 VanDerWaalsContact C-N 3.32Å; M217-F219 PolarHBondContact O-N 2.87Å; M217-H220 PolarHBondContact O-N 2.85Å; M217-L221 HydrophobicContact CG-CD1 3.9Å; M217-L221 WeakPolarHBondContact O-CB 3.36Å; M217-L221 VanDerWaalsContact O-CG 3.29Å; M217-L221 WeakPolarHBondContact O-CG 3.48Å; M217-L221 PolarHBondContact O-N 3.47Å; M217-L221 HydrophobicContact SD-CD1 3.9Å; M217-L221 HydrophobicContact SD-CG 4.13Å; M217-I248 HydrophobicContact CE-CG2 3.8Å; M217-Y258 HydrophobicContact CG-CD1 4.35Å; M217-Y258 HydrophobicContact CG-CD2 4.13Å; M217-Y258 HydrophobicContact CG-CG 3.98Å
218A66.8Low62.1Low8 Ų854.7 Ų54.77%0.06632%0.315CS..Hα-helixtrans-58.3-42.2173.500000112.5E214 L222 L267E214-A218 WeakPolarHBondContact O-CB 3.38Å; E214-A218 PolarHBondContact O-N 3.48Å; A218-L222 VanDerWaalsContact O-CB 3.31Å; A218-L222 WeakPolarHBondContact O-CB 3.39Å; A218-L222 PolarHBondContact O-N 3.39Å; A218-L267 HydrophobicContact CB-CD2 3.61Å
219F70Confident63.9Low5 Ų551.2 Ų51.22%0.02229%0.288CS..Hα-helixtrans-65.5-49.6177.2-170.6-76.2000112F80 Q86 V88 Y161 E215 E216 M217 L221 L222 Y223F80-F219 HydrophobicContact CD2-CD2 4.43Å; F80-F219 AromaticContact CD2-CE2 3.93Å; F80-F219 HydrophobicContact CD2-CE2 3.93Å; Q86-F219 VanDerWaalsContact O-CZ 3.24Å; Q86-F219 WeakPolarHBondContact O-CZ 3.5Å; V88-F219 HydrophobicContact CB-CZ 4.49Å; V88-F219 HydrophobicContact CG2-CD2 4.39Å; V88-F219 HydrophobicContact CG2-CE1 4.27Å; V88-F219 HydrophobicContact CG2-CE2 3.49Å; V88-F219 VanDerWaalsContact CG2-CE2 3.49Å; V88-F219 HydrophobicContact CG2-CZ 3.41Å; V88-F219 VanDerWaalsContact CG2-CZ 3.41Å; Y161-F219 WeakPolarHBondContact OH-CE1 3.48Å; E215-F219 WeakPolarHBondContact O-CB 3.45Å; E215-F219 PolarHBondContact O-N 2.98Å; E216-F219 PolarHBondContact O-N 3.42Å; M217-F219 VanDerWaalsContact C-N 3.32Å; M217-F219 PolarHBondContact O-N 2.87Å; F219-L221 VanDerWaalsContact C-N 3.34Å; F219-L221 PolarHBondContact O-N 3.4Å; F219-L222 PolarHBondContact O-N 2.9Å; F219-Y223 VanDerWaalsContact O-CB 3.31Å; F219-Y223 WeakPolarHBondContact O-CB 2.97Å; F219-Y223 PolarHBondContact O-N 3.12Å
220H69.4Low65.6Low37 Ų3746.4 Ų46.417%0.17125%0.254CS..Hα-helixtrans-57.7-45.9179168.592.6000111.3T165 E216 M217 Y223 R224T165-H220 PolarHBondContact O-CE1 3.28Å; T165-H220 VanDerWaalsContact O-CE1 3.23Å; T165-H220 PolarHBondContact O-ND1 3.08Å; E216-H220 WeakPolarHBondContact O-CB 3.13Å; E216-H220 PolarHBondContact O-N 3.23Å; M217-H220 PolarHBondContact O-N 2.85Å; H220-Y223 PolarHBondContact O-N 3.16Å; H220-R224 VanDerWaalsContact O-CB 3.31Å; H220-R224 WeakPolarHBondContact O-CB 3.3Å; H220-R224 PolarHBondContact O-N 3.47Å
221L69.8Low66.8Low5 Ų541.3 Ų41.33%0.02622%0.218CC..Hα-helixtrans-69.1-37.1-179.8-67.1167.7000112.6M217 F219 R225 Y255 L259 V262 L267M217-L221 HydrophobicContact CG-CD1 3.9Å; M217-L221 WeakPolarHBondContact O-CB 3.36Å; M217-L221 VanDerWaalsContact O-CG 3.29Å; M217-L221 WeakPolarHBondContact O-CG 3.48Å; M217-L221 PolarHBondContact O-N 3.47Å; M217-L221 HydrophobicContact SD-CD1 3.9Å; M217-L221 HydrophobicContact SD-CG 4.13Å; F219-L221 VanDerWaalsContact C-N 3.34Å; F219-L221 PolarHBondContact O-N 3.4Å; L221-R225 VanDerWaalsContact O-CB 3.28Å; L221-R225 WeakPolarHBondContact O-CB 3.33Å; L221-R225 PolarHBondContact O-N 2.7Å; L221-Y255 HydrophobicContact CD2-CE2 4.01Å; L221-L259 HydrophobicContact CD2-CD1 4.41Å; L221-V262 HydrophobicContact CB-CG2 3.59Å; L221-V262 HydrophobicContact CD1-CG2 3.87Å; L221-V262 HydrophobicContact CG-CG2 4.22Å; L221-L267 HydrophobicContact CB-CD1 4.33Å
222L71.7Confident67.1Low8 Ų842.1 Ų42.14%0.04221%0.211CC..Hα-helixtrans-61.2-48.7171.4172.863.8000111.4V45 F80 V88 A218 F219 R225 I226 L267 L271V45-L222 HydrophobicContact CG1-CD1 4.16Å; V45-L222 HydrophobicContact CG2-CD1 3.73Å; F80-L222 HydrophobicContact CE2-CD2 4.43Å; V88-L222 HydrophobicContact CG1-CD2 4.34Å; V88-L222 HydrophobicContact CG1-CG 4.21Å; V88-L222 HydrophobicContact CG2-CD2 4.36Å; A218-L222 VanDerWaalsContact O-CB 3.31Å; A218-L222 WeakPolarHBondContact O-CB 3.39Å; A218-L222 PolarHBondContact O-N 3.39Å; F219-L222 PolarHBondContact O-N 2.9Å; L222-R225 PolarHBondContact O-N 3.44Å; L222-I226 HydrophobicContact CD1-CD1 3.57Å; L222-I226 HydrophobicContact CD1-CG1 4.24Å; L222-I226 HydrophobicContact CG-CD1 3.9Å; L222-I226 PolarHBondContact O-N 2.56Å; L222-L267 HydrophobicContact CB-CD1 4.47Å; L222-L271 HydrophobicContact CD2-CD1 3.83Å
223Y74.3Confident66.5Low1 Ų141 Ų410%0.00420%0.202CC..Hα-helixtrans-60.9-49.1179.8-178.3-130.9000110.9V88 P91 Y161 L166 F219 H220 R225 I226 M227V88-Y223 HydrophobicContact CG1-CD2 4.31Å; V88-Y223 WeakPolarHBondContact O-CD2 3.33Å; P91-Y223 HydrophobicContact CG-CE2 3.93Å; P91-Y223 WeakPolarHBondContact CG-OH 3.48Å; Y161-Y223 HydrophobicContact CD1-CE1 4.34Å; Y161-Y223 HydrophobicContact CE1-CD1 4.41Å; Y161-Y223 AromaticContact CE1-CE1 3.75Å; Y161-Y223 HydrophobicContact CE1-CE1 3.75Å; Y161-Y223 HydrophobicContact CE1-CE2 4.44Å; Y161-Y223 AromaticContact CE1-CZ 3.78Å; L166-Y223 HydrophobicContact CD1-CD1 3.48Å; L166-Y223 VanDerWaalsContact CD1-CD1 3.48Å; L166-Y223 HydrophobicContact CD1-CE1 3.24Å; L166-Y223 HydrophobicContact CD1-CG 4.37Å; L166-Y223 HydrophobicContact CD2-CD1 4.11Å; L166-Y223 HydrophobicContact CG-CD1 3.68Å; L166-Y223 HydrophobicContact CG-CE1 3.6Å; F219-Y223 VanDerWaalsContact O-CB 3.31Å; F219-Y223 WeakPolarHBondContact O-CB 2.97Å; F219-Y223 PolarHBondContact O-N 3.12Å; H220-Y223 PolarHBondContact O-N 3.16Å; Y223-R225 PolarHBondContact O-N 3.18Å; Y223-I226 PolarHBondContact O-N 2.89Å; Y223-M227 HydrophobicContact CD2-CE 4.22Å; Y223-M227 HydrophobicContact CD2-CG 4.11Å; Y223-M227 HydrophobicContact CE2-CE 3.85Å; Y223-M227 HydrophobicContact CE2-CG 4.09Å; Y223-M227 VanDerWaalsContact O-CB 3.32Å; Y223-M227 WeakPolarHBondContact O-CB 3.09Å; Y223-M227 VanDerWaalsContact O-CG 3.22Å; Y223-M227 WeakPolarHBondContact O-CG 3.17Å; Y223-M227 PolarHBondContact O-N 3.21Å
224R70.5Confident65.6Low84 Ų8441.1 Ų41.132%0.31720%0.199SC..Hα-helixtrans-56.4-45172.6-176.9174178.7-178.1-0.6112.1L166 H220 M227 L228 F238 Y255L166-R224 HydrophobicContact CD2-CB 4.04Å; H220-R224 VanDerWaalsContact O-CB 3.31Å; H220-R224 WeakPolarHBondContact O-CB 3.3Å; H220-R224 PolarHBondContact O-N 3.47Å; R224-M227 PolarHBondContact O-N 3.08Å; R224-L228 HydrophobicContact CG-CD1 3.88Å; R224-L228 HydrophobicContact CG-CG 4.35Å; R224-L228 WeakPolarHBondContact O-CB 3.48Å; R224-L228 VanDerWaalsContact O-CG 3.26Å; R224-L228 WeakPolarHBondContact O-CG 3.47Å; R224-L228 PolarHBondContact O-N 2.7Å; R224-F238 HydrophobicContact CG-CE1 3.96Å; R224-Y255 PolarHBondContact NH1-OH 2.99Å
225R69.7Low64.5Low109 Ų10939.3 Ų39.341%0.41119%0.191SC..Hα-helixtrans-66.2-42.4-179.7-176.860.2175.3-175.53112.7L221 L222 Y223 L229 V262L221-R225 VanDerWaalsContact O-CB 3.28Å; L221-R225 WeakPolarHBondContact O-CB 3.33Å; L221-R225 PolarHBondContact O-N 2.7Å; L222-R225 PolarHBondContact O-N 3.44Å; Y223-R225 PolarHBondContact O-N 3.18Å; R225-L229 HydrophobicContact CG-CD1 4.21Å; R225-L229 WeakPolarHBondContact O-CD1 3.48Å; R225-L229 WeakPolarHBondContact O-CG 3.49Å; R225-L229 PolarHBondContact O-N 3.03Å; R225-V262 HydrophobicContact CB-CG1 4.28Å; R225-V262 HydrophobicContact CG-CG1 4.28Å
226I72.1Confident63.5Low0 Ų036.9 Ų36.90%018%0.18CC..Hα-helixtrans-64.2-45.1175.8-78.8162.9000110.6V45 I49 V88 F89 L222 Y223 L229 L230V45-I226 HydrophobicContact CG1-CD1 4.02Å; V45-I226 HydrophobicContact CG1-CG1 3.88Å; V45-I226 HydrophobicContact CG2-CD1 4.49Å; I49-I226 HydrophobicContact CD1-CB 4.5Å; I49-I226 HydrophobicContact CD1-CG1 3.8Å; I49-I226 HydrophobicContact CG1-CB 4.45Å; I49-I226 HydrophobicContact CG1-CG1 3.87Å; I49-I226 HydrophobicContact CG1-CG2 4.39Å; V88-I226 HydrophobicContact CG1-CD1 3.38Å; F89-I226 HydrophobicContact CD1-CG2 4.12Å; F89-I226 HydrophobicContact CE1-CD1 4.46Å; F89-I226 HydrophobicContact CE1-CG2 3.65Å; F89-I226 HydrophobicContact CE2-CD1 3.99Å; F89-I226 HydrophobicContact CZ-CD1 3.71Å; F89-I226 HydrophobicContact CZ-CG1 4.26Å; F89-I226 HydrophobicContact CZ-CG2 4.01Å; L222-I226 HydrophobicContact CD1-CD1 3.57Å; L222-I226 HydrophobicContact CD1-CG1 4.24Å; L222-I226 HydrophobicContact CG-CD1 3.9Å; L222-I226 PolarHBondContact O-N 2.56Å; Y223-I226 PolarHBondContact O-N 2.89Å; I226-L229 PolarHBondContact O-N 3.27Å; I226-L230 HydrophobicContact CG2-CD1 3.75Å; I226-L230 HydrophobicContact CG2-CG 4.42Å; I226-L230 WeakPolarHBondContact O-CB 3.48Å; I226-L230 WeakPolarHBondContact O-CG 3.31Å; I226-L230 PolarHBondContact O-N 3.29Å
227M70.7Confident62.5Low1 Ų132.9 Ų32.91%0.00516%0.161CC..Hα-helixtrans-70.7-38.2-177.7-70-6514800112.6V88 P91 V92 Y223 R224 L229 L230 F231 F238V88-M227 WeakPolarHBondContact O-CE 3.12Å; P91-M227 HydrophobicContact CB-CE 3.84Å; P91-M227 HydrophobicContact CB-SD 3.86Å; P91-M227 HydrophobicContact CG-CE 3.66Å; P91-M227 HydrophobicContact CG-SD 3.96Å; V92-M227 HydrophobicContact CG2-CE 4.04Å; Y223-M227 HydrophobicContact CD2-CE 4.22Å; Y223-M227 HydrophobicContact CD2-CG 4.11Å; Y223-M227 HydrophobicContact CE2-CE 3.85Å; Y223-M227 HydrophobicContact CE2-CG 4.09Å; Y223-M227 VanDerWaalsContact O-CB 3.32Å; Y223-M227 WeakPolarHBondContact O-CB 3.09Å; Y223-M227 VanDerWaalsContact O-CG 3.22Å; Y223-M227 WeakPolarHBondContact O-CG 3.17Å; Y223-M227 PolarHBondContact O-N 3.21Å; R224-M227 PolarHBondContact O-N 3.08Å; M227-L229 VanDerWaalsContact C-N 3.27Å; M227-L229 PolarHBondContact O-N 2.87Å; M227-L230 PolarHBondContact O-N 2.81Å; M227-F231 WeakPolarHBondContact O-CA 3.4Å; M227-F231 WeakPolarHBondContact O-CB 3.47Å; M227-F231 PolarHBondContact O-N 3.27Å; M227-F231 HydrophobicContact SD-CD2 3.65Å; M227-F231 HydrophobicContact SD-CE2 3.57Å; M227-F231 VanDerWaalsContact SD-CE2 3.57Å; M227-F238 HydrophobicContact CB-CE2 3.68Å; M227-F238 HydrophobicContact CB-CZ 3.38Å; M227-F238 HydrophobicContact CG-CZ 4.41Å
228L64.9Low61.3Low71 Ų7133 Ų3337%0.37216%0.161SC..Hα-helixtrans-62-32.7171.2-75.3171.3000112.8R224 P232 F238R224-L228 HydrophobicContact CG-CD1 3.88Å; R224-L228 HydrophobicContact CG-CG 4.35Å; R224-L228 WeakPolarHBondContact O-CB 3.48Å; R224-L228 VanDerWaalsContact O-CG 3.26Å; R224-L228 WeakPolarHBondContact O-CG 3.47Å; R224-L228 PolarHBondContact O-N 2.7Å; L228-P232 VanDerWaalsContact O-CA 3.29Å; L228-P232 WeakPolarHBondContact O-CA 3.29Å; L228-P232 WeakPolarHBondContact O-CB 3.41Å; L228-F238 HydrophobicContact CD2-CD1 4.49Å; L228-F238 HydrophobicContact CD2-CD2 4.06Å; L228-F238 HydrophobicContact CD2-CE2 4.35Å; L228-F238 HydrophobicContact CD2-CG 4.18Å; L228-F238 HydrophobicContact CG-CE2 4.5Å
229L67.5Low59.7Low43 Ų4335.4 Ų35.423%0.22517%0.172CC..Hα-helixtrans-80.2-33.7178-72.5168.5000112.7I49 H53 R225 I226 M227 M375I49-L229 HydrophobicContact CD1-CB 4.26Å; I49-L229 HydrophobicContact CD1-CD1 3.61Å; I49-L229 HydrophobicContact CG2-CB 4.13Å; H53-L229 PolarHBondContact CE1-O 3.11Å; H53-L229 VanDerWaalsContact CE1-O 3.28Å; H53-L229 PolarHBondContact NE2-O 3.42Å; R225-L229 HydrophobicContact CG-CD1 4.21Å; R225-L229 WeakPolarHBondContact O-CD1 3.48Å; R225-L229 WeakPolarHBondContact O-CG 3.49Å; R225-L229 PolarHBondContact O-N 3.03Å; I226-L229 PolarHBondContact O-N 3.27Å; M227-L229 VanDerWaalsContact C-N 3.27Å; M227-L229 PolarHBondContact O-N 2.87Å; L229-M375 HydrophobicContact CD2-CE 4.32Å
230L67.5Low58Low4 Ų441.3 Ų41.32%0.02121%0.211CC..Hα-helixtrans-85.5-31.8178.4-68179.1000113.5I49 A52 R56 F89 V92 I226 M227 P232I49-L230 HydrophobicContact CG2-CD2 3.86Å; I49-L230 HydrophobicContact CG2-CG 4.31Å; I49-L230 WeakPolarHBondContact O-CD2 3.46Å; A52-L230 HydrophobicContact CB-CD1 3.78Å; A52-L230 HydrophobicContact CB-CD2 3.76Å; A52-L230 HydrophobicContact CB-CG 4.47Å; R56-L230 PolarHBondContact NH1-O 3.26Å; F89-L230 HydrophobicContact CD1-CD1 4.21Å; F89-L230 HydrophobicContact CE1-CD1 4.13Å; V92-L230 HydrophobicContact CG2-CD1 3.52Å; I226-L230 HydrophobicContact CG2-CD1 3.75Å; I226-L230 HydrophobicContact CG2-CG 4.42Å; I226-L230 WeakPolarHBondContact O-CB 3.48Å; I226-L230 WeakPolarHBondContact O-CG 3.31Å; I226-L230 PolarHBondContact O-N 3.29Å; M227-L230 PolarHBondContact O-N 2.81Å; L230-P232 WeakPolarHBondContact O-CD 3.41Å
231F64.9Low56.3Low7 Ų742 Ų423%0.03123%0.229CC..  trans-12551.1-176.3-58.8-89000111.8R56 V92 V95 M227 L233 D234 F237R56-F231 VanDerWaalsContact NH1-CZ 3.29Å; V92-F231 HydrophobicContact CG2-CE2 4.07Å; V92-F231 HydrophobicContact CG2-CZ 4.44Å; V95-F231 HydrophobicContact CB-CZ 4.41Å; V95-F231 HydrophobicContact CG1-CE1 4.4Å; V95-F231 HydrophobicContact CG2-CE1 3.92Å; V95-F231 HydrophobicContact CG2-CZ 3.99Å; M227-F231 WeakPolarHBondContact O-CA 3.4Å; M227-F231 WeakPolarHBondContact O-CB 3.47Å; M227-F231 PolarHBondContact O-N 3.27Å; M227-F231 HydrophobicContact SD-CD2 3.65Å; M227-F231 HydrophobicContact SD-CE2 3.57Å; M227-F231 VanDerWaalsContact SD-CE2 3.57Å; F231-L233 PolarHBondContact O-N 3.23Å; F231-D234 HydrophobicContact CB-CB 4.1Å; F231-D234 PolarHBondContact O-N 3.19Å; F231-F237 HydrophobicContact CD1-CD2 4.33Å; F231-F237 HydrophobicContact CD1-CE2 4.25Å; F231-F237 HydrophobicContact CE1-CE2 4.4Å; F231-F237 HydrophobicContact CG-CD2 4.46Å
232P54.9Low54.6Low86 Ų8644.7 Ų44.756%0.55826%0.257SS*.THydrogen-bonded Turntrans-65.5-5.4-172.426.8-35.7000115.4L228 L230L228-P232 VanDerWaalsContact O-CA 3.29Å; L228-P232 WeakPolarHBondContact O-CA 3.29Å; L228-P232 WeakPolarHBondContact O-CB 3.41Å; L230-P232 WeakPolarHBondContact O-CD 3.41Å
233L44.6Very low53Low58 Ų5850.3 Ų50.330%0.30429%0.286SS..THydrogen-bonded Turntrans-128.5-3.9-171.8-61171.9000113.1F231 S637 A667 M668F231-L233 PolarHBondContact O-N 3.23Å; L233-S637 PolarHBondContact O-OG 3.18Å; L233-A667 WeakPolarHBondContact CD1-O 3.43Å; L233-A667 WeakPolarHBondContact CD2-O 3.24Å; L233-M668 HydrophobicContact CD1-CB 3.58Å; L233-M668 HydrophobicContact CD2-CB 3.83Å; L233-M668 HydrophobicContact CD2-CE 4.01Å; L233-M668 HydrophobicContact CG-CB 4.26Å
234D48.6Very low51.4Low44 Ų4452.5 Ų52.524%0.23530%0.3CS..  trans-104.267.1-178.9-155.8-8.4000106.4A172 F231 S236 F237A172-D234 WeakPolarHBondContact CB-OD1 3.26Å; F231-D234 HydrophobicContact CB-CB 4.1Å; F231-D234 PolarHBondContact O-N 3.19Å; D234-S236 PolarHBondContact O-N 3.38Å; D234-S236 WeakPolarHBondContact OD1-CB 3.3Å; D234-S236 PolarHBondContact OD1-OG 3.22Å; D234-F237 HydrophobicContact CB-CD2 4.08Å; D234-F237 WeakPolarHBondContact O-CB 3.26Å; D234-F237 PolarHBondContact O-N 3.48Å; D234-F237 WeakPolarHBondContact OD2-CD2 3.46Å; D234-F237 WeakPolarHBondContact OD2-CE2 3.21Å
235E41.8Very low50Low76 Ų7651.9 Ų51.936%0.35531%0.306SS..G310 helixtrans-57.4-12.2172.9-76-167.1-154.700112.2F237 F238 R634E235-F237 PolarHBondContact O-N 3.27Å; E235-F238 CarbonylContact O-C 3.6Å; E235-F238 WeakPolarHBondContact O-CA 3.25Å; E235-F238 PolarHBondContact O-N 3.36Å; E235-F238 VanDerWaalsContact O-O 3.07Å; E235-R634 IonicContact OE1-CZ 2.88Å; E235-R634 IonicContact OE1-NH1 3.42Å; E235-R634 IonicContact OE1-NH2 3.27Å; E235-R634 PolarHBondContact OE1-NH2 2.95Å; E235-R634 IonicContact OE2-CZ 2.67Å; E235-R634 IonicContact OE2-NH1 2.71Å; E235-R634 PolarHBondContact OE2-NH1 3.42Å; E235-R634 IonicContact OE2-NH2 3.63Å; E235-R634 PolarHBondContact OE2-NH2 3.05Å
236S43Very low48.5Very low4 Ų455.3 Ų55.33%0.02832%0.321CS..G310 helixtrans-50.3-33.4161.9113.50000113.1V168 R169 P170 D234V168-S236 WeakPolarHBondContact CG1-O 3.3Å; R169-S236 CarbonylContact C-O 3.55Å; P170-S236 VanDerWaalsContact CA-CB 3.49Å; P170-S236 WeakPolarHBondContact CA-O 3.24Å; P170-S236 WeakPolarHBondContact CA-OG 3.22Å; P170-S236 WeakPolarHBondContact CB-OG 3.11Å; D234-S236 PolarHBondContact O-N 3.38Å; D234-S236 WeakPolarHBondContact OD1-CB 3.3Å; D234-S236 PolarHBondContact OD1-OG 3.22Å
237F42.5Very low47.2Very low13 Ų1361.3 Ų61.36%0.05735%0.353CS..G310 helixtrans-82.1-4.7171.3-78.2-81.7000114.6P91 V168 M173 F231 D234 E235P91-F237 HydrophobicContact CB-CE1 4.13Å; V168-F237 HydrophobicContact CG1-CD1 4.41Å; V168-F237 WeakPolarHBondContact CG2-O 3.38Å; M173-F237 HydrophobicContact CE-CZ 4.23Å; F231-F237 HydrophobicContact CD1-CD2 4.33Å; F231-F237 HydrophobicContact CD1-CE2 4.25Å; F231-F237 HydrophobicContact CE1-CE2 4.4Å; F231-F237 HydrophobicContact CG-CD2 4.46Å; D234-F237 HydrophobicContact CB-CD2 4.08Å; D234-F237 WeakPolarHBondContact O-CB 3.26Å; D234-F237 PolarHBondContact O-N 3.48Å; D234-F237 WeakPolarHBondContact OD2-CD2 3.46Å; D234-F237 WeakPolarHBondContact OD2-CE2 3.21Å; E235-F237 PolarHBondContact O-N 3.27Å
238F41.3Very low46Very low30 Ų3063.4 Ų63.413%0.13236%0.363CS..  trans-151.689.7-170.8-69-72.4000114L166 R224 M227 L228 E235L166-F238 HydrophobicContact CB-CE1 4.5Å; L166-F238 HydrophobicContact CD1-CE1 3.71Å; L166-F238 HydrophobicContact CD1-CZ 3.75Å; L166-F238 HydrophobicContact CD2-CE1 3.97Å; L166-F238 HydrophobicContact CG-CE1 4.28Å; R224-F238 HydrophobicContact CG-CE1 3.96Å; M227-F238 HydrophobicContact CB-CE2 3.68Å; M227-F238 HydrophobicContact CB-CZ 3.38Å; M227-F238 HydrophobicContact CG-CZ 4.41Å; L228-F238 HydrophobicContact CD2-CD1 4.49Å; L228-F238 HydrophobicContact CD2-CD2 4.06Å; L228-F238 HydrophobicContact CD2-CE2 4.35Å; L228-F238 HydrophobicContact CD2-CG 4.18Å; L228-F238 HydrophobicContact CG-CE2 4.5Å; E235-F238 CarbonylContact O-C 3.6Å; E235-F238 WeakPolarHBondContact O-CA 3.25Å; E235-F238 PolarHBondContact O-N 3.36Å; E235-F238 VanDerWaalsContact O-O 3.07Å
239L34.3Very low45Very low57 Ų5764.4 Ų64.430%0.29837%0.365SS..  trans-113.5135.8161.7-66-178000109.7D167 R169D167-L239 WeakPolarHBondContact CB-O 3.41Å; D167-L239 VanDerWaalsContact O-O 3.06Å; R169-L239 HydrophobicContact CB-CD1 3.89Å; R169-L239 HydrophobicContact CG-CD1 4.14Å
240P34.9Very low43.9Very low130 Ų13067.7 Ų67.784%0.84438%0.383SS*.  trans-90.4106.6172.432.4-29.4000110.8
241G33.2Very low42.8Very low52 Ų5268.9 Ų68.954%0.53640%0.396SS..  trans15781.217200000117.1D167D167-G241 WeakPolarHBondContact OD2-CA 3.3Å; D167-G241 PolarHBondContact OD2-N 2.62Å
242G33.2Very low42.2Very low60 Ų6074.3 Ų74.362%0.61943%0.426SS*.SBendtrans-175.8-72.2175.500000116.1D167D167-G242 WeakPolarHBondContact OD1-CA 3.31Å; D167-G242 PolarHBondContact OD1-N 3.02Å; D167-G242 PolarHBondContact OD2-N 3.46Å
243L38Very low42.4Very low126 Ų12678.3 Ų78.366%0.6644%0.437SS*.SBendtrans-128.9-5.7-152.2-71.7174.8000119
244V41.1Very low43Very low48 Ų4879.7 Ų79.729%0.29145%0.448SS..SBendtrans-83.5130.2166.21750000108.2Y246 I248 F249V244-Y246 PolarHBondContact O-N 3.44Å; V244-I248 HydrophobicContact CG1-CD1 4.21Å; V244-F249 HydrophobicContact CB-CE2 3.82Å; V244-F249 HydrophobicContact CB-CZ 4.31Å; V244-F249 HydrophobicContact CG1-CD2 4.37Å; V244-F249 HydrophobicContact CG1-CE2 3.65Å; V244-F249 HydrophobicContact CG1-CZ 4Å
245P40.9Very low43.3Very low70 Ų7079.5 Ų79.546%0.45544%0.444SS..  trans-53126.6-178.9-28.434.6000112.5D247 I248P245-D247 PolarHBondContact O-N 3.39Å; P245-I248 HydrophobicContact CB-CD1 4.33Å; P245-I248 HydrophobicContact CB-CG1 4.34Å; P245-I248 HydrophobicContact CG-CD1 4.28Å; P245-I248 WeakPolarHBondContact O-CB 3.48Å; P245-I248 PolarHBondContact O-N 3.45Å
246Y37.8Very low44.2Very low182 Ų18277 Ų7771%0.71444%0.437SS*.Hα-helixtrans-53.5-31.2-179.9-123-80.9000111.9V244 I248 F249 N250V244-Y246 PolarHBondContact O-N 3.44Å; Y246-I248 PolarHBondContact O-N 3.47Å; Y246-F249 PolarHBondContact O-N 2.94Å; Y246-N250 VanDerWaalsContact O-CG 3.25Å; Y246-N250 PolarHBondContact O-N 3.21Å; Y246-N250 PolarHBondContact O-ND2 3.12Å
247D44.6Very low45.4Very low125 Ų12583.1 Ų83.167%0.66846%0.463SS*.Hα-helixtrans-58-29.5177.7-47-53.3000113.5P245 G251P245-D247 PolarHBondContact O-N 3.39Å; D247-G251 PolarHBondContact O-N 2.66Å; D247-G251 VanDerWaalsContact O-N 3.13Å
248I46Very low46.1Very low45 Ų4583.4 Ų83.423%0.23146%0.464CS..Hα-helixtrans-74-35.8177-60.2176.5000110.9V212 M217 V244 P245 Y246V212-I248 HydrophobicContact CG2-CD1 3.67Å; M217-I248 HydrophobicContact CE-CG2 3.8Å; V244-I248 HydrophobicContact CG1-CD1 4.21Å; P245-I248 HydrophobicContact CB-CD1 4.33Å; P245-I248 HydrophobicContact CB-CG1 4.34Å; P245-I248 HydrophobicContact CG-CD1 4.28Å; P245-I248 WeakPolarHBondContact O-CB 3.48Å; P245-I248 PolarHBondContact O-N 3.45Å; Y246-I248 PolarHBondContact O-N 3.47Å
249F44.5Very low46.9Very low93 Ų9384.7 Ų84.741%0.40847%0.472SS..Hα-helixtrans-81.2-29.1175.8-65.5-60.3000112.8V244 Y246 G251 Y255V244-F249 HydrophobicContact CB-CE2 3.82Å; V244-F249 HydrophobicContact CB-CZ 4.31Å; V244-F249 HydrophobicContact CG1-CD2 4.37Å; V244-F249 HydrophobicContact CG1-CE2 3.65Å; V244-F249 HydrophobicContact CG1-CZ 4Å; Y246-F249 PolarHBondContact O-N 2.94Å; F249-G251 PolarHBondContact O-N 2.81Å; F249-Y255 HydrophobicContact CD1-CD2 4.33Å; F249-Y255 HydrophobicContact CD1-CE2 4.38Å; F249-Y255 HydrophobicContact CE1-CD2 4.22Å; F249-Y255 AromaticContact CE1-CE2 3.9Å; F249-Y255 HydrophobicContact CE1-CE2 3.9Å
250N43.4Very low48.1Very low111 Ų11189.6 Ų89.659%0.59449%0.486SS*.Hα-helixtrans-69.1-20.7169.7-66.4-26.3000112.1Y246 D252Y246-N250 VanDerWaalsContact O-CG 3.25Å; Y246-N250 PolarHBondContact O-N 3.21Å; Y246-N250 PolarHBondContact O-ND2 3.12Å; N250-D252 PolarHBondContact O-N 3.49Å
251G44.4Very low49.3Very low30 Ų3084.6 Ų84.631%0.30945%0.452SS..  trans-78.753.8173.400000114D247 F249 E253 T254 Y255D247-G251 PolarHBondContact O-N 2.66Å; D247-G251 VanDerWaalsContact O-N 3.13Å; F249-G251 PolarHBondContact O-N 2.81Å; G251-E253 PolarHBondContact O-N 3.09Å; G251-E253 VanDerWaalsContact O-N 3.15Å; G251-T254 PolarHBondContact O-N 3.49Å; G251-Y255 PolarHBondContact O-N 3.19Å
252D53.7Low50.2Low121 Ų12183.1 Ų83.165%0.64743%0.433SS*.Hα-helixtrans-40.9-54.1-167.5-166.911.6000113.9N250 T254 Y255 A256N250-D252 PolarHBondContact O-N 3.49Å; D252-T254 VanDerWaalsContact C-N 3.34Å; D252-T254 PolarHBondContact O-N 2.97Å; D252-Y255 PolarHBondContact O-N 3.47Å; D252-A256 WeakPolarHBondContact O-CB 3.14Å; D252-A256 PolarHBondContact O-N 3.12Å
253E58.2Low51.2Low169 Ų16985.2 Ų85.279%0.7943%0.426SS*.Hα-helixtrans-59-38.3179.7-70.4-157.6142.200114.3G251 K257G251-E253 PolarHBondContact O-N 3.09Å; G251-E253 VanDerWaalsContact O-N 3.15Å; E253-K257 WeakPolarHBondContact O-CB 3.34Å; E253-K257 PolarHBondContact O-N 2.68Å
254T57.2Low52.1Low88 Ų8885 Ų8554%0.5442%0.422SS..Hα-helixtrans-74.1-47.3-174.6-59.20000110.2G251 D252 K257 Y258G251-T254 PolarHBondContact O-N 3.49Å; D252-T254 VanDerWaalsContact C-N 3.34Å; D252-T254 PolarHBondContact O-N 2.97Å; T254-K257 PolarHBondContact O-N 3.02Å; T254-Y258 HydrophobicContact CG2-CD2 4.14Å; T254-Y258 HydrophobicContact CG2-CE2 4.22Å; T254-Y258 VanDerWaalsContact O-CD2 3.31Å; T254-Y258 WeakPolarHBondContact O-CD2 3.45Å; T254-Y258 PolarHBondContact O-N 2.83Å
255Y56.3Low52.6Low39 Ų3984.3 Ų84.315%0.15343%0.425CS..Hα-helixtrans-64.8-45.3175.9178.9-93.3000111.2L221 R224 F249 G251 D252 K257 Y258 L259L221-Y255 HydrophobicContact CD2-CE2 4.01Å; R224-Y255 PolarHBondContact NH1-OH 2.99Å; F249-Y255 HydrophobicContact CD1-CD2 4.33Å; F249-Y255 HydrophobicContact CD1-CE2 4.38Å; F249-Y255 HydrophobicContact CE1-CD2 4.22Å; F249-Y255 AromaticContact CE1-CE2 3.9Å; F249-Y255 HydrophobicContact CE1-CE2 3.9Å; G251-Y255 PolarHBondContact O-N 3.19Å; D252-Y255 PolarHBondContact O-N 3.47Å; Y255-K257 VanDerWaalsContact C-N 3.35Å; Y255-K257 PolarHBondContact O-N 3.49Å; Y255-Y258 PolarHBondContact O-N 3Å; Y255-L259 HydrophobicContact CE1-CD2 4.25Å; Y255-L259 WeakPolarHBondContact O-CB 3.42Å; Y255-L259 PolarHBondContact O-N 2.86Å
256A60.5Low53.4Low24 Ų2484.6 Ų84.620%0.19842%0.422CS..Hα-helixtrans-63.8-36.5177.900000112.9D252 L259 R260D252-A256 WeakPolarHBondContact O-CB 3.14Å; D252-A256 PolarHBondContact O-N 3.12Å; A256-L259 PolarHBondContact O-N 3.4Å; A256-R260 WeakPolarHBondContact O-CG 3.45Å; A256-R260 PolarHBondContact O-N 2.82Å
257K66.8Low54.2Low132 Ų13276.3 Ų76.357%0.57439%0.39SS*.Hα-helixtrans-62.7-43.8172.4176-178.4177.9-176.30111.6E253 T254 Y255 R260 I261E253-K257 WeakPolarHBondContact O-CB 3.34Å; E253-K257 PolarHBondContact O-N 2.68Å; T254-K257 PolarHBondContact O-N 3.02Å; Y255-K257 VanDerWaalsContact C-N 3.35Å; Y255-K257 PolarHBondContact O-N 3.49Å; K257-R260 PolarHBondContact O-N 3.03Å; K257-I261 HydrophobicContact CG-CD1 4.22Å; K257-I261 WeakPolarHBondContact O-CD1 3.26Å; K257-I261 VanDerWaalsContact O-CG1 3.29Å; K257-I261 WeakPolarHBondContact O-CG1 3.4Å; K257-I261 PolarHBondContact O-N 3.12Å; K257-I261 VanDerWaalsContact O-N 3.12Å
258Y57.8Low54.5Low20 Ų2071.4 Ų71.48%0.07836%0.364CS..Hα-helixtrans-67-39174.9-87.9-68.5000112.7E214 M217 T254 Y255 I261 V262E214-Y258 WeakPolarHBondContact CB-OH 3.37Å; E214-Y258 WeakPolarHBondContact CG-OH 3.47Å; E214-Y258 PolarHBondContact OE1-OH 3.26Å; E214-Y258 PolarHBondContact OE2-OH 3.34Å; M217-Y258 HydrophobicContact CG-CD1 4.35Å; M217-Y258 HydrophobicContact CG-CD2 4.13Å; M217-Y258 HydrophobicContact CG-CG 3.98Å; T254-Y258 HydrophobicContact CG2-CD2 4.14Å; T254-Y258 HydrophobicContact CG2-CE2 4.22Å; T254-Y258 VanDerWaalsContact O-CD2 3.31Å; T254-Y258 WeakPolarHBondContact O-CD2 3.45Å; T254-Y258 PolarHBondContact O-N 2.83Å; Y255-Y258 PolarHBondContact O-N 3Å; Y258-I261 PolarHBondContact O-N 3.45Å; Y258-V262 VanDerWaalsContact O-CG2 3.27Å; Y258-V262 WeakPolarHBondContact O-CG2 3.45Å; Y258-V262 PolarHBondContact O-N 2.91Å
259L58.4Low54.9Low57 Ų5772.1 Ų72.130%0.29837%0.373SS..Hα-helixtrans-61.6-43.7175.7-163.270.9000111.5L221 Y255 A256 I261 V262 E263L221-L259 HydrophobicContact CD2-CD1 4.41Å; Y255-L259 HydrophobicContact CE1-CD2 4.25Å; Y255-L259 WeakPolarHBondContact O-CB 3.42Å; Y255-L259 PolarHBondContact O-N 2.86Å; A256-L259 PolarHBondContact O-N 3.4Å; L259-I261 VanDerWaalsContact C-N 3.35Å; L259-I261 PolarHBondContact O-N 3.29Å; L259-V262 WeakPolarHBondContact O-CA 3.49Å; L259-V262 VanDerWaalsContact O-CB 3.29Å; L259-V262 WeakPolarHBondContact O-CB 3.41Å; L259-V262 PolarHBondContact O-N 2.8Å; L259-V262 VanDerWaalsContact O-N 3.08Å; L259-E263 WeakPolarHBondContact O-CG 3.37Å; L259-E263 PolarHBondContact O-N 3.32Å
260R59.4Low55.4Low160 Ų16072.9 Ų72.960%0.60437%0.374SS*.Hα-helixtrans-59.6-42.1172.2-70.4176.8-163.2169.89.4112.2A256 K257 V262 E263 E264A256-R260 WeakPolarHBondContact O-CG 3.45Å; A256-R260 PolarHBondContact O-N 2.82Å; K257-R260 PolarHBondContact O-N 3.03Å; R260-V262 PolarHBondContact O-N 3.49Å; R260-E263 PolarHBondContact O-N 3.33Å; R260-E263 VanDerWaalsContact O-N 3.13Å; R260-E264 VanDerWaalsContact O-CB 3.29Å; R260-E264 WeakPolarHBondContact O-CB 3.47Å; R260-E264 WeakPolarHBondContact O-CG 3.2Å; R260-E264 PolarHBondContact O-N 2.91Å
261I59.5Low55.9Low24 Ų2468 Ų6812%0.12335%0.347CS..Hα-helixtrans-64-26.8176.3-67.1163.6000112.3K257 Y258 L259 N266 L267K257-I261 HydrophobicContact CG-CD1 4.22Å; K257-I261 WeakPolarHBondContact O-CD1 3.26Å; K257-I261 VanDerWaalsContact O-CG1 3.29Å; K257-I261 WeakPolarHBondContact O-CG1 3.4Å; K257-I261 PolarHBondContact O-N 3.12Å; K257-I261 VanDerWaalsContact O-N 3.12Å; Y258-I261 PolarHBondContact O-N 3.45Å; L259-I261 VanDerWaalsContact C-N 3.35Å; L259-I261 PolarHBondContact O-N 3.29Å; I261-N266 HydrophobicContact CG2-CB 4.14Å; I261-N266 PolarHBondContact O-N 3.41Å; I261-N266 VanDerWaalsContact O-N 3.14Å; I261-L267 HydrophobicContact CG2-CD2 4.1Å; I261-L267 HydrophobicContact CG2-CG 4.32Å; I261-L267 PolarHBondContact O-N 3.07Å
262V53.6Low56Low22 Ų2269.7 Ų69.713%0.13335%0.353CS..Hα-helixtrans-72.1-48.9170.2-1790000110.6L221 R225 Y258 L259 R260 G265 L267L221-V262 HydrophobicContact CB-CG2 3.59Å; L221-V262 HydrophobicContact CD1-CG2 3.87Å; L221-V262 HydrophobicContact CG-CG2 4.22Å; R225-V262 HydrophobicContact CB-CG1 4.28Å; R225-V262 HydrophobicContact CG-CG1 4.28Å; Y258-V262 VanDerWaalsContact O-CG2 3.27Å; Y258-V262 WeakPolarHBondContact O-CG2 3.45Å; Y258-V262 PolarHBondContact O-N 2.91Å; L259-V262 WeakPolarHBondContact O-CA 3.49Å; L259-V262 VanDerWaalsContact O-CB 3.29Å; L259-V262 WeakPolarHBondContact O-CB 3.41Å; L259-V262 PolarHBondContact O-N 2.8Å; L259-V262 VanDerWaalsContact O-N 3.08Å; R260-V262 PolarHBondContact O-N 3.49Å; V262-G265 PolarHBondContact O-N 3.19Å; V262-L267 HydrophobicContact CB-CD1 4.29Å; V262-L267 HydrophobicContact CG1-CD1 4.46Å; V262-L267 HydrophobicContact CG2-CD1 3.51Å; V262-L267 HydrophobicContact CG2-CG 4.04Å
263E53.9Low55.9Low103 Ų10370.9 Ų70.948%0.48135%0.352SS..Hα-helixtrans-68.9-32.7-175.6-69.1173.3158.100112.7L259 R260 G265L259-E263 WeakPolarHBondContact O-CG 3.37Å; L259-E263 PolarHBondContact O-N 3.32Å; R260-E263 PolarHBondContact O-N 3.33Å; R260-E263 VanDerWaalsContact O-N 3.13Å; E263-G265 PolarHBondContact O-N 2.96Å
264E56.2Low55.1Low121 Ų12164.3 Ų64.357%0.56532%0.322SS*.THydrogen-bonded Turntrans-72.9-2.6170.5-69.4168.8-162.400113.4R260 N266R260-E264 VanDerWaalsContact O-CB 3.29Å; R260-E264 WeakPolarHBondContact O-CB 3.47Å; R260-E264 WeakPolarHBondContact O-CG 3.2Å; R260-E264 PolarHBondContact O-N 2.91Å; E264-N266 PolarHBondContact O-N 3.05Å; E264-N266 VanDerWaalsContact O-N 3.14Å; E264-N266 PolarHBondContact OE2-ND2 3.16Å
265G52.6Low54.3Low35 Ų3562.6 Ų62.636%0.36132%0.317SS..THydrogen-bonded Turntrans72.1-1.8-178.200000115.2V262 E263 L267V262-G265 PolarHBondContact O-N 3.19Å; E263-G265 PolarHBondContact O-N 2.96Å; G265-L267 VanDerWaalsContact C-N 3.3Å; G265-L267 PolarHBondContact O-N 2.96Å
266N57Low53.5Low75 Ų7567.3 Ų67.340%0.40134%0.338SS..THydrogen-bonded Turntrans-71.8-12.7-171.2-88.6-47.9000115I261 E264 L268 S269I261-N266 HydrophobicContact CG2-CB 4.14Å; I261-N266 PolarHBondContact O-N 3.41Å; I261-N266 VanDerWaalsContact O-N 3.14Å; E264-N266 PolarHBondContact O-N 3.05Å; E264-N266 VanDerWaalsContact O-N 3.14Å; E264-N266 PolarHBondContact OE2-ND2 3.16Å; N266-L268 PolarHBondContact O-N 3.02Å; N266-L268 VanDerWaalsContact O-N 3.15Å; N266-S269 PolarHBondContact O-N 2.75Å; N266-S269 PolarHBondContact O-OG 2.97Å
267L55.2Low52.3Low8 Ų872.4 Ų72.44%0.04235%0.352CS..Hα-helixtrans-53.7-34.8174.3-88.4-169.3000113.2A218 L221 L222 I261 V262 G265 S269 R270 L271A218-L267 HydrophobicContact CB-CD2 3.61Å; L221-L267 HydrophobicContact CB-CD1 4.33Å; L222-L267 HydrophobicContact CB-CD1 4.47Å; I261-L267 HydrophobicContact CG2-CD2 4.1Å; I261-L267 HydrophobicContact CG2-CG 4.32Å; I261-L267 PolarHBondContact O-N 3.07Å; V262-L267 HydrophobicContact CB-CD1 4.29Å; V262-L267 HydrophobicContact CG1-CD1 4.46Å; V262-L267 HydrophobicContact CG2-CD1 3.51Å; V262-L267 HydrophobicContact CG2-CG 4.04Å; G265-L267 VanDerWaalsContact C-N 3.3Å; G265-L267 PolarHBondContact O-N 2.96Å; L267-S269 VanDerWaalsContact C-N 3.31Å; L267-S269 PolarHBondContact O-N 3.46Å; L267-R270 PolarHBondContact O-N 3.36Å; L267-R270 VanDerWaalsContact O-N 3.09Å; L267-L271 HydrophobicContact CB-CD1 4.5Å; L267-L271 WeakPolarHBondContact O-CG 3.38Å; L267-L271 PolarHBondContact O-N 3.21Å
268L50.1Low50.9Low22 Ų2267.7 Ų67.712%0.11534%0.341CS..Hα-helixtrans-76.5-14.3-175.1-72.1154.6000114.5P41 V45 N266 L271 P272P41-L268 HydrophobicContact CB-CB 4.38Å; P41-L268 WeakPolarHBondContact CB-O 3.42Å; P41-L268 WeakPolarHBondContact O-CB 3.43Å; P41-L268 WeakPolarHBondContact O-CD1 3.49Å; V45-L268 HydrophobicContact CB-CD1 3.71Å; V45-L268 HydrophobicContact CG2-CD1 3.5Å; V45-L268 VanDerWaalsContact CG2-CD1 3.5Å; V45-L268 HydrophobicContact CG2-CD2 3.5Å; V45-L268 HydrophobicContact CG2-CG 4.02Å; N266-L268 PolarHBondContact O-N 3.02Å; N266-L268 VanDerWaalsContact O-N 3.15Å; L268-L271 HydrophobicContact CD2-CD1 3.73Å; L268-L271 HydrophobicContact CG-CD1 4.24Å; L268-P272 WeakPolarHBondContact O-CD 3.14Å
269S54.5Low49.8Very low61 Ų6172 Ų7243%0.42736%0.362SS..Hα-helixtrans-85.3-16.716870.50000112.5N266 L267N266-S269 PolarHBondContact O-N 2.75Å; N266-S269 PolarHBondContact O-OG 2.97Å; L267-S269 VanDerWaalsContact C-N 3.31Å; L267-S269 PolarHBondContact O-N 3.46Å
270R55.6Low48.7Very low109 Ų10975.2 Ų75.241%0.41138%0.376SS..Hα-helixtrans-90.2-36.4173.6-69.6-172.1169.2-133.61.3113.5E214 L267 P272 K273E214-R270 IonicContact OE2-NH1 3.72Å; E214-R270 PolarHBondContact OE2-NH1 3.21Å; L267-R270 PolarHBondContact O-N 3.36Å; L267-R270 VanDerWaalsContact O-N 3.09Å; R270-P272 VanDerWaalsContact C-N 3.28Å; R270-P272 VanDerWaalsContact O-N 3.15Å; R270-K273 WeakPolarHBondContact O-CB 3.44Å; R270-K273 PolarHBondContact O-N 3.13Å
271L52.5Low47.6Very low8 Ų876.5 Ų76.54%0.04238%0.381CS..Hα-helixtrans-53.2-28.3178.8-79.5156.2000115.9F80 L222 L267 L268 K273 L274 A275F80-L271 HydrophobicContact CE1-CB 4.38Å; F80-L271 HydrophobicContact CE1-CD2 3.86Å; F80-L271 HydrophobicContact CZ-CD2 4.01Å; L222-L271 HydrophobicContact CD2-CD1 3.83Å; L267-L271 HydrophobicContact CB-CD1 4.5Å; L267-L271 WeakPolarHBondContact O-CG 3.38Å; L267-L271 PolarHBondContact O-N 3.21Å; L268-L271 HydrophobicContact CD2-CD1 3.73Å; L268-L271 HydrophobicContact CG-CD1 4.24Å; L271-K273 VanDerWaalsContact C-N 3.29Å; L271-K273 PolarHBondContact O-N 3.35Å; L271-L274 HydrophobicContact CD2-CD1 3.72Å; L271-L274 WeakPolarHBondContact O-CB 3.29Å; L271-L274 PolarHBondContact O-N 2.82Å; L271-A275 PolarHBondContact O-N 3.16Å
272P47.2Very low46.4Very low65 Ų6579.7 Ų79.742%0.42241%0.405SS..Hα-helixtrans-66.6-20171.1-26.236.6000115.5L268 R270L268-P272 WeakPolarHBondContact O-CD 3.14Å; R270-P272 VanDerWaalsContact C-N 3.28Å; R270-P272 VanDerWaalsContact O-N 3.15Å
273K51.2Low45.2Very low147 Ų14783.4 Ų83.464%0.63943%0.431SS*.Hα-helixtrans-69.9-44172.4-62.9-172.4176.4-171.70110.7R270 L271 A275 K276 W277R270-K273 WeakPolarHBondContact O-CB 3.44Å; R270-K273 PolarHBondContact O-N 3.13Å; L271-K273 VanDerWaalsContact C-N 3.29Å; L271-K273 PolarHBondContact O-N 3.35Å; K273-A275 PolarHBondContact O-N 3.32Å; K273-K276 PolarHBondContact O-N 3.09Å; K273-W277 PolarHBondContact O-N 3.45Å
274L41.3Very low44.1Very low31 Ų3185.5 Ų85.516%0.16245%0.445CS..Hα-helixtrans-51.3-40.9174-123.6171.5000112.1E215 L271 K276E215-L274 HydrophobicContact CB-CD1 3.87Å; E215-L274 HydrophobicContact CB-CD2 3.97Å; E215-L274 HydrophobicContact CB-CG 3.78Å; E215-L274 HydrophobicContact CG-CD1 4.31Å; E215-L274 HydrophobicContact CG-CD2 4.22Å; E215-L274 HydrophobicContact CG-CG 3.8Å; E215-L274 WeakPolarHBondContact OE1-CG 3.36Å; L271-L274 HydrophobicContact CD2-CD1 3.72Å; L271-L274 WeakPolarHBondContact O-CB 3.29Å; L271-L274 PolarHBondContact O-N 2.82Å; L274-K276 PolarHBondContact O-N 3.36Å
275A39.8Very low42.9Very low52 Ų5285.3 Ų85.343%0.4345%0.454SS..Hα-helixtrans-64.7-36.3177.500000113.5L271 K273L271-A275 PolarHBondContact O-N 3.16Å; K273-A275 PolarHBondContact O-N 3.32Å
276K41.1Very low42Very low138 Ų13892.4 Ų92.460%0.648%0.478SS*.Hα-helixtrans-82.3-34.7179.5-69.8-166.6170.2-161.50113.6K273 L274 G278 E279 E280K273-K276 PolarHBondContact O-N 3.09Å; L274-K276 PolarHBondContact O-N 3.36Å; K276-G278 PolarHBondContact O-N 3.28Å; K276-E279 WeakPolarHBondContact O-CB 3.36Å; K276-E279 PolarHBondContact O-N 2.99Å; K276-E280 PolarHBondContact O-N 2.93Å
277W35.5Very low40.8Very low130 Ų13097.7 Ų97.749%0.49250%0.5SS..Hα-helixtrans-62.3-26.7176-104.834.4000112.9K273 E279 E280K273-W277 PolarHBondContact O-N 3.45Å; W277-E279 PolarHBondContact O-N 2.86Å; W277-E280 PolarHBondContact NE1-OE2 3.23Å
278G35.8Very low39.6Very low33 Ų33106.7 Ų106.734%0.3454%0.541SS..Hα-helixtrans-74.310167.500000115.8K81 K276K81-G278 PolarHBondContact NZ-O 2.91Å; K276-G278 PolarHBondContact O-N 3.28Å
279E35.6Very low39Very low110 Ų110111.3 Ų111.351%0.51458%0.576SS.*Hα-helixtrans-114.7-40.5172.9-60.4179.8142.400110.8K81 K276 W277 R281 S282K81-E279 VanDerWaalsContact NZ-CG 3.34Å; K276-E279 WeakPolarHBondContact O-CB 3.36Å; K276-E279 PolarHBondContact O-N 2.99Å; W277-E279 PolarHBondContact O-N 2.86Å; E279-R281 PolarHBondContact O-N 2.75Å; E279-S282 PolarHBondContact O-N 3.36Å; E279-S282 PolarHBondContact O-OG 3.37Å
280E35.8Very low37.9Very low126 Ų126113.9 Ų113.959%0.58960%0.601SS**Hα-helixtrans-66.8-35.6179.9-65.1173.9164.300112.4K276 W277 S282 C283K276-E280 PolarHBondContact O-N 2.93Å; W277-E280 PolarHBondContact NE1-OE2 3.23Å; E280-S282 VanDerWaalsContact C-N 3.28Å; E280-S282 PolarHBondContact O-N 2.93Å; E280-C283 PolarHBondContact O-N 3.27Å
281R35.5Very low36.9Very low186 Ų186112.2 Ų112.270%0.70262%0.617SS**THydrogen-bonded Turntrans-74.4-10.1178.1-72.1-170.6177.8-166.80.6115.1E279 C283E279-R281 PolarHBondContact O-N 2.75Å; R281-C283 VanDerWaalsContact C-N 3.35Å
282S34.3Very low35.9Very low91 Ų91119 Ų11964%0.63666%0.659SS**THydrogen-bonded Turntrans-84.8-4.1174.620.80000114.2E279 E280E279-S282 PolarHBondContact O-N 3.36Å; E279-S282 PolarHBondContact O-OG 3.37Å; E280-S282 VanDerWaalsContact C-N 3.28Å; E280-S282 PolarHBondContact O-N 2.93Å
283C28.8Very low35.4Very low101 Ų101121.5 Ų121.568%0.68268%0.679SS**  trans-119.912.3-166.7-63.20000115.2E280 R281E280-C283 PolarHBondContact O-N 3.27Å; R281-C283 VanDerWaalsContact C-N 3.35Å
284L30.6Very low34.3Very low147 Ų147120.1 Ų120.177%0.7769%0.687SS**  trans-82.6125.3176-69.7174.4000111.1
285P30.7Very low33.6Very low117 Ų117125 Ų12576%0.7672%0.723SS**  trans-73.8135.517830.6-33.9000110.7E287P285-E287 PolarHBondContact O-N 3.23Å
286H33Very low33.2Very low184 Ų184128 Ų12885%0.85274%0.74SS**  trans-78.7112172.9-144.8-59.6000108.7
287E33.5Very low32.7Very low186 Ų186132.5 Ų132.587%0.86975%0.753SS**  trans-60.6144.1172-79.2-167.2123.600110.6P285P285-E287 PolarHBondContact O-N 3.23Å
288Q30.2Very low32.4Very low196 Ų196132.3 Ų132.392%0.91677%0.769SS**  trans-96.1124.7-173.1-63.5177.5-5.400110.6
289S35.7Very low32.1Very low119 Ų119136.5 Ų136.583%0.83279%0.787SS**  trans-123.2141.4152.468.10000108.9
290A32Very low32Very low116 Ų116135.5 Ų135.596%0.95980%0.798SS**  trans-83.1128.1-164.800000112.4
291G35.1Very low31.6Very low73 Ų73136 Ų13675%0.75381%0.805SS**  trans-157.5100.7174.700000111.5S293G291-S293 PolarHBondContact O-N 2.87Å
292T32.3Very low31.4Very low150 Ų150139 Ų13992%0.9282%0.816SS**  trans-78.7106.4-17448.60000112.9
293S35.8Very low31.1Very low119 Ų119143.7 Ų143.783%0.83283%0.825SS**  trans-159.3150.4147.959.80000111.1G291G291-S293 PolarHBondContact O-N 2.87Å
294S27.1Very low31.1Very low117 Ų117144.5 Ų144.582%0.81883%0.831SS**  trans-94.6123.8-178.7540000111.5
295C28.5Very low31Very low135 Ų135143 Ų14391%0.91283%0.833SS**  trans-150.6144.5159.6-124.60000113.4
296S30.6Very low31.2Very low113 Ų113143 Ų14379%0.7984%0.836SS**  trans-72.3161.3-171.9-52.30000113.9
297R30Very low31.2Very low234 Ų234141.4 Ų141.488%0.88383%0.833SS**  trans-56.9139.8163.5-74.9-178.9171.4-178-3.1110.2V299R297-V299 PolarHBondContact O-N 2.93Å
298P29.2Very low31.2Very low126 Ų126137.8 Ų137.882%0.81883%0.828SS**  trans-73.2110.2178.428.9-33.7000111.4
299V29.6Very low31.4Very low120 Ų120133.2 Ų133.273%0.72782%0.824SS**  trans-75.8124.4155.8175.60000107R297 D301R297-V299 PolarHBondContact O-N 2.93Å; V299-D301 VanDerWaalsContact C-N 3.26Å; V299-D301 PolarHBondContact O-N 3.44Å
300A33.4Very low31.4Very low90 Ų90133 Ų13374%0.74482%0.823SS**  trans-8170.6-179.800000111.4W302A300-W302 PolarHBondContact O-N 3.37Å
301D27.1Very low31.6Very low137 Ų137131.8 Ų131.873%0.73381%0.812SS**  trans-66.8108173.2-98.6-19.6000110.9V299V299-D301 VanDerWaalsContact C-N 3.26Å; V299-D301 PolarHBondContact O-N 3.44Å
302W32.3Very low31.7Very low247 Ų247132.9 Ų132.994%0.93681%0.814SS**  trans-108.289.1167.3-8366.7000109.1A300 C304A300-W302 PolarHBondContact O-N 3.37Å; W302-C304 PolarHBondContact O-N 2.93Å
303K28.5Very low31.9Very low190 Ų190132.2 Ų132.283%0.82681%0.813SS**  trans-91.693-168.7-167.6175.1-174.1175.40111.4
304C29.1Very low31.9Very low119 Ų119130 Ų13080%0.80481%0.808SS**  trans-72.4131.4167-74.50000110.5W302W302-C304 PolarHBondContact O-N 2.93Å
305S26.9Very low32.4Very low116 Ų116130.5 Ų130.581%0.81181%0.809SS**  trans-66131.2-174.7-53.60000112.9
306S35.8Very low33Very low116 Ų116130.5 Ų130.581%0.81181%0.805SS**  trans-146.5127.8160.540.60000107.7
307D32.4Very low33.3Very low151 Ų151130.8 Ų130.881%0.80780%0.802SS**  trans-96.1136.6-159.3-85.1-57.4000115.2
308S33.6Very low33.4Very low109 Ų109125 Ų12576%0.76280%0.798SS**  trans75.4132.4145.574.80000121.7
309A34.8Very low33.8Very low100 Ų100124.2 Ų124.283%0.82680%0.801SS**  trans71.4143.4146.600000121
310S34.5Very low33.8Very low116 Ų116123.8 Ų123.881%0.81180%0.803SS**  cis-167.8162.1-23.5-163.40000111.9
311A36.6Very low34Very low89 Ų89129.4 Ų129.474%0.73681%0.812SS**  trans74.9103.9151.900000122.5
312A37.5Very low34.2Very low96 Ų96128.4 Ų128.479%0.79381%0.81SS**  74.7123.1120.700000122.6
313P36.6Very low34.3Very low136 Ų136127.4 Ų127.488%0.88381%0.806SS**  trans-108.2175.6167.241-33.4000114
314G36.3Very low34.7Very low72 Ų72124.1 Ų124.174%0.74280%0.802SS**  trans-167.9126.9168.700000114.3
315P37.4Very low34.9Very low128 Ų128123.6 Ų123.683%0.83180%0.8SS**  trans-110.4146.8179.537.9-30.3000114.2
316V40.4Very low35.6Very low136 Ų136122.9 Ų122.982%0.82479%0.793SS**  trans-139.7114.7177.7-179.30000113.4
317T38.2Very low35.6Very low118 Ų118127 Ų12772%0.72480%0.796SS**  trans9.9117.3155.859.30000122.6
318S31.9Very low36Very low114 Ų114124.5 Ų124.580%0.79780%0.796SS**  25.2134.4124.663.20000122.8
319A36.3Very low36.5Very low108 Ų108125.1 Ų125.189%0.89380%0.8SS**  trans-149.5152.5140.500000110.5
320S30.6Very low36.5Very low111 Ų111125.9 Ų125.978%0.77680%0.8SS**  trans-119.6154.5-177.5580000112
321F36.9Very low36.6Very low209 Ų209126.8 Ų126.892%0.91781%0.805SS**  trans-154.8150.8154.7-122.8-80.1000112
322T31.8Very low36.7Very low115 Ų115127.8 Ų127.871%0.70681%0.806SS**  trans-119.5152.3-174.956.10000111.5
323R34.7Very low36.9Very low226 Ų226134.4 Ų134.485%0.85381%0.811SS**  179.9146.3129.9-107.5-170.8162.6177.8-5.2117.1
324T36.8Very low37.1Very low121 Ų121133.7 Ų133.774%0.74281%0.806SS**  trans55.7117.9145.553.20000123.1
325S32.2Very low37.8Very low109 Ų109135.1 Ų135.176%0.76280%0.802SS**  trans-82.1-165.3143590000109.9
326P41.9Very low38Very low101 Ų101139.4 Ų139.466%0.65681%0.808SS**  cis-148-179.86.144.5-24.5000119.5
327K36.8Very low37.9Very low203 Ų203135.8 Ų135.888%0.88380%0.798SS**  trans75.7162.8144.4-85.5172179.7-178.60122
328A40.7Very low38.1Very low97 Ų97137.8 Ų137.880%0.80281%0.805SS**  trans74.2144.5176.400000116.5
329S43.2Very low38.3Very low122 Ų122137.8 Ų137.885%0.85381%0.805SS**  cis-157.6169.3-8.442.40000112
330S36Very low38.5Very low116 Ų116137.7 Ų137.781%0.81180%0.804SS**  trans-93.7148.9-172.854.20000115.5
331C36.2Very low38.6Very low135 Ų135137.7 Ų137.791%0.91280%0.804SS**  trans-146.5168.6155.8-117.80000110.8
332S38.4Very low38.8Very low110 Ų110137.3 Ų137.377%0.76980%0.802SS**  trans-161.6-177.6-167.869.70000115.7
333R41.1Very low39.2Very low236 Ų236138.1 Ų138.189%0.89181%0.807SS**  trans104.6151.7161.5-75.1-168.8161.4-154.5-5.5120.1
334P42.4Very low39.1Very low120 Ų120137.7 Ų137.778%0.77981%0.805SS**  trans-134.1-120.9-148.431.5-1.7000115.1
335P50.9Low39.3Very low103 Ų103137.8 Ų137.867%0.66981%0.808SS**  -134.3174-121.843-23.1000118.6
336F39.8Very low39.5Very low217 Ų217138.1 Ų138.195%0.95281%0.805SS**  trans-154.5164.3158.6-78.2-74000108.9
337G38.9Very low39.5Very low60 Ų60140.6 Ų140.662%0.61982%0.819SS**  cis160.5153.9-8.200000113.1
338N41.9Very low39.5Very low160 Ų160135.1 Ų135.186%0.85681%0.806SS**  trans67.5165.5169.4-59.2-14.4000119
339S36.7Very low39.3Very low114 Ų114140 Ų14080%0.79781%0.809SS**  cis178.3130.4-49.8-92.50000110.7
340A40Very low38.9Very low106 Ų106145.7 Ų145.788%0.87681%0.811SS**  trans-162.9150.8164.700000112.6
341S34.5Very low38.9Very low112 Ų112144.8 Ų144.878%0.78381%0.811SS**  trans-162.9142.8-175.855.90000114.4
342F39.3Very low38.7Very low201 Ų201147.1 Ų147.188%0.88281%0.806SS**  trans-152.5112.2159.9-104-94.3000107.3
343V40.5Very low38.8Very low131 Ų131146.6 Ų146.679%0.79480%0.8SS**  102.1143.274.2158.50000112.4
344R33.5Very low38.4Very low217 Ų217143.2 Ų143.282%0.81979%0.794SS**  trans-131.8166.4-175.2-137.9-176.5-167.1-177.65.2107.3
345P40.8Very low38.1Very low123 Ų123142.3 Ų142.380%0.79980%0.797SS**  -158.1-158.18342.3-20.2000115.5
346T35.1Very low37.2Very low116 Ų116144.5 Ų144.571%0.71280%0.803SS**  trans-128.3151.6-169.8510000113.5
347V42.4Very low36.8Very low154 Ų154142 Ų14293%0.93380%0.799SS**  trans-139.1164.5166.5-174.50000110.1
348S36.5Very low36.3Very low88 Ų88144.6 Ų144.662%0.61581%0.805SS**  trans-148.4160.6-16276.30000117.5
349K36.9Very low35.9Very low198 Ų198144 Ų14486%0.86180%0.8SS**  trans72.6155.1165.2-56169.6-178.6175.60114.7
350R34.3Very low35.3Very low242 Ų242148.3 Ų148.391%0.91380%0.804SS**  cis-165.6155.328-165.5-174.1174.2175-2.8113.1
351A36.4Very low34.9Very low98 Ų98153.4 Ų153.481%0.8180%0.802SS**  trans78158.1152.600000123.7
352K33.1Very low34.4Very low183 Ų183154.8 Ų154.880%0.79681%0.806SS**  trans-121.8-178175.7-121.7-161.3176.4-165.10107.2
353P39Very low33.8Very low99 Ų99148.3 Ų148.364%0.64380%0.796SS**  cis-136.5-176.813.442.9-23.4000117
354E33.9Very low33.1Very low165 Ų165148.5 Ų148.577%0.77180%0.797SS**  trans20.6128.9147-69.5149.6-172.900123
355A35.4Very low32.7Very low101 Ų101148.6 Ų148.684%0.83580%0.797SS**  -173.6160.5113.700000113.4
356D31.7Very low32Very low149 Ų149149.7 Ų149.780%0.79779%0.791SS**  trans-58.6148.7-169-55.5-57.3000119.4
357L32.3Very low31.5Very low165 Ų165149.8 Ų149.886%0.86479%0.787SS**  179152.7102.3-90.3170.6000112
358P29Very low30.9Very low114 Ų114148.4 Ų148.474%0.7476%0.764SS**  trans-98.4138.9-169.136.1-33.5000115.1
359I32.3Very low30.6Very low148 Ų148154.6 Ų154.676%0.75978%0.775SS**  trans-115.9122.5164.9-61.6-179.6000109.5Y361I359-Y361 HydrophobicContact CG2-CD2 4.05Å; I359-Y361 HydrophobicContact CG2-CE2 3.98Å; I359-Y361 PolarHBondContact O-N 3.41Å
360K25Very low30.3Very low204 Ų204147.9 Ų147.989%0.88775%0.752SS**  trans-78.9112.7177.3-66.5175.2180174.50110.3
361Y30.2Very low30.2Very low214 Ų214141.2 Ų141.284%0.83974%0.74SS**  trans-102.6122.2160.5-93.4-86.9000110.6I359 G363I359-Y361 HydrophobicContact CG2-CD2 4.05Å; I359-Y361 HydrophobicContact CG2-CE2 3.98Å; I359-Y361 PolarHBondContact O-N 3.41Å; Y361-G363 PolarHBondContact O-N 3.25Å; Y361-G363 VanDerWaalsContact O-N 3.1Å
362V24.7Very low30.2Very low141 Ų141139.4 Ų139.486%0.85573%0.725SS**  trans-80.288.8175.2-179.70000108.2V364V362-V364 PolarHBondContact O-N 2.91Å
363G27.2Very low30.4Very low65 Ų65135 Ų13567%0.6771%0.711SS**  trans-67119.4178.100000111.9Y361 R365Y361-G363 PolarHBondContact O-N 3.25Å; Y361-G363 VanDerWaalsContact O-N 3.1Å; G363-R365 PolarHBondContact O-N 2.9Å
364V26Very low30.2Very low134 Ų134138 Ų13881%0.81272%0.72SS**  trans-64.9114.3174.3177.90000109.2V362 Q366V362-V364 PolarHBondContact O-N 2.91Å; V364-Q366 PolarHBondContact O-N 3.37Å
365R24.4Very low30.3Very low220 Ų220135 Ų13583%0.8371%0.708SS**  trans-67.899.9174.7-82.5-170.5169.9-155.6-2.3110.6G363 I367G363-R365 PolarHBondContact O-N 2.9Å; R365-I367 HydrophobicContact CB-CG1 4.16Å; R365-I367 PolarHBondContact O-N 3.3Å
366Q26.4Very low30.3Very low145 Ų145134.2 Ų134.268%0.67869%0.69SS**  trans-68.9111.6153.3-72.1-175.8-2400108V364V364-Q366 PolarHBondContact O-N 3.37Å
367I25.5Very low30.4Very low119 Ų119131.6 Ų131.661%0.6168%0.681SS**  trans-100.397.2173.2-56.7179.3000107.4R365R365-I367 HydrophobicContact CB-CG1 4.16Å; R365-I367 PolarHBondContact O-N 3.3Å
368W29.7Very low30.5Very low124 Ų124128.4 Ų128.447%0.4767%0.672SS.*  trans-109.3130.6163.9-71.689.3000107.8S370 S706W368-S370 PolarHBondContact O-N 3.02Å; W368-S706 VanDerWaalsContact CZ2-CB 3.44Å
369W29.9Very low30.7Very low219 Ų219125.6 Ų125.683%0.8366%0.658SS**  trans-70.1126.3-179.5-59.190.1000110
370S30.5Very low30.5Very low56 Ų56123.6 Ų123.639%0.39266%0.658SS.*  trans-84.9140.7173.4-176.60000109.6W368 A372 D373W368-S370 PolarHBondContact O-N 3.02Å; S370-A372 PolarHBondContact O-N 2.99Å; S370-A372 WeakPolarHBondContact OG-CB 3.31Å; S370-A372 PolarHBondContact OG-N 3.27Å; S370-D373 WeakPolarHBondContact CB-OD2 3.32Å; S370-D373 PolarHBondContact N-OD2 3.21Å; S370-D373 WeakPolarHBondContact O-CB 3.22Å; S370-D373 PolarHBondContact O-N 2.8Å
371P32.3Very low30.6Very low102 Ų102125.5 Ų125.566%0.66266%0.659SS**G310 helixtrans-55.4-21.4168.1-2635.7000113.5D373P371-D373 VanDerWaalsContact C-N 3.31Å; P371-D373 PolarHBondContact O-N 2.86Å
372A35Very low30.5Very low60 Ų60121.1 Ų121.150%0.49666%0.655SS.*G310 helixtrans-68.4-24.9173.900000113.7S370 L374 M375S370-A372 PolarHBondContact O-N 2.99Å; S370-A372 WeakPolarHBondContact OG-CB 3.31Å; S370-A372 PolarHBondContact OG-N 3.27Å; A372-L374 PolarHBondContact O-N 3.42Å; A372-M375 PolarHBondContact O-N 2.94Å
373D37.2Very low30.6Very low91 Ų91123 Ų12349%0.48765%0.654SS.*G310 helixtrans-68.8-23.6-178.6-60.4-43.8000111.9S370 P371S370-D373 WeakPolarHBondContact CB-OD2 3.32Å; S370-D373 PolarHBondContact N-OD2 3.21Å; S370-D373 WeakPolarHBondContact O-CB 3.22Å; S370-D373 PolarHBondContact O-N 2.8Å; P371-D373 VanDerWaalsContact C-N 3.31Å; P371-D373 PolarHBondContact O-N 2.86Å
374L35.7Very low30.6Very low162 Ų162126.5 Ų126.585%0.84866%0.662SS**G310 helixtrans-81.4-10.6172.1-77.7162.6000113.8A372A372-L374 PolarHBondContact O-N 3.42Å
375M35.9Very low30.6Very low103 Ų103126.9 Ų126.951%0.50766%0.659SS.*G310 helixtrans-98.3-1.1-177.2-73.9-70-163.200113.8L229 A372 P377L229-M375 HydrophobicContact CD2-CE 4.32Å; A372-M375 PolarHBondContact O-N 2.94Å; M375-P377 WeakPolarHBondContact O-CD 3.13Å
376N35.7Very low30.8Very low84 Ų84120.5 Ų120.545%0.44965%0.646SS.*  trans-108.6104-177-175-1.9000112.7S378 A379N376-S378 PolarHBondContact ND2-OG 3.39Å; N376-S378 PolarHBondContact O-N 2.99Å; N376-S378 PolarHBondContact OD1-N 3.33Å; N376-S378 VanDerWaalsContact OD1-N 3.12Å; N376-S378 PolarHBondContact OD1-OG 2.96Å; N376-A379 PolarHBondContact O-N 2.87Å
377P34.1Very low30.9Very low94 Ų94119.1 Ų119.161%0.6165%0.647SS**THydrogen-bonded Turntrans-70.1-1.9-177.429-35000114.9M375M375-P377 WeakPolarHBondContact O-CD 3.13Å
378S35Very low30.9Very low98 Ų98122.2 Ų122.269%0.68566%0.657SS**THydrogen-bonded Turntrans-90.5-3.7177.966.30000114.9N376 S380N376-S378 PolarHBondContact ND2-OG 3.39Å; N376-S378 PolarHBondContact O-N 2.99Å; N376-S378 PolarHBondContact OD1-N 3.33Å; N376-S378 VanDerWaalsContact OD1-N 3.12Å; N376-S378 PolarHBondContact OD1-OG 2.96Å; S378-S380 VanDerWaalsContact C-N 3.33Å; S378-S380 PolarHBondContact O-N 3.42Å
379A32.3Very low30.8Very low54 Ų54124.3 Ų124.345%0.44667%0.666SS.*  trans-82.2-0.5-175.200000115.3N376 R381N376-A379 PolarHBondContact O-N 2.87Å; A379-R381 PolarHBondContact O-N 3.07Å
380S27.7Very low30.6Very low107 Ų107118.9 Ų118.975%0.74866%0.661SS**  trans-70.125.7-167.8-45.90000116.7S378S378-S380 VanDerWaalsContact C-N 3.33Å; S378-S380 PolarHBondContact O-N 3.42Å
381R28.1Very low30.5Very low244 Ų244126.8 Ų126.892%0.92168%0.684SS**  trans-142.562.3174.3-72.9-169.4175.6-173.3-0.3112A379A379-R381 PolarHBondContact O-N 3.07Å
382V26.7Very low30.2Very low122 Ų122127.6 Ų127.674%0.73969%0.687SS**  trans-104121.1168.5179.40000109.6V384V382-V384 PolarHBondContact O-N 3.09Å
383H26.5Very low29.9Very low181 Ų181131 Ų13184%0.83870%0.701SS**  trans-64.2119.5172.7-87.9-92.1000110.5N385H383-N385 PolarHBondContact O-N 3.13Å; H383-N385 VanDerWaalsContact O-N 3.1Å
384V29Very low29.5Very low138 Ų138137.6 Ų137.684%0.83672%0.719SS**  trans-75.297.5170.7-177.60000108.7V382 P386V382-V384 PolarHBondContact O-N 3.09Å; V384-P386 WeakPolarHBondContact O-CD 3.46Å
385N25Very low29.4Very low142 Ų142138.3 Ų138.376%0.75972%0.718SS**  trans-82.9118.5173.2-112.9-17.2000109.6H383 V387H383-N385 PolarHBondContact O-N 3.13Å; H383-N385 VanDerWaalsContact O-N 3.1Å; N385-V387 PolarHBondContact O-N 3.05Å
386P28Very low29.8Very low86 Ų86139 Ų13956%0.55873%0.73SS**  trans-73.4118.4177.629.2-33.2000110.7V384 F388V384-P386 WeakPolarHBondContact O-CD 3.46Å; P386-F388 HydrophobicContact CB-CE2 4.29Å; P386-F388 HydrophobicContact CG-CD2 4.43Å; P386-F388 HydrophobicContact CG-CE2 3.88Å; P386-F388 PolarHBondContact O-N 2.64Å; P386-F388 VanDerWaalsContact O-N 3.13Å
387V29.2Very low29.9Very low116 Ų116141 Ų14170%0.70375%0.748SS**  trans-80.193.9172.2-1770000108.9N385 Y389N385-V387 PolarHBondContact O-N 3.05Å; V387-Y389 HydrophobicContact CG1-CD2 4.04Å; V387-Y389 HydrophobicContact CG1-CE2 3.61Å; V387-Y389 PolarHBondContact O-N 2.82Å
388F24.9Very low29.8Very low183 Ų183141.1 Ų141.180%0.80376%0.757SS**  trans-64.2125.8172.1-72.9-90.6000111P386P386-F388 HydrophobicContact CB-CE2 4.29Å; P386-F388 HydrophobicContact CG-CD2 4.43Å; P386-F388 HydrophobicContact CG-CE2 3.88Å; P386-F388 PolarHBondContact O-N 2.64Å; P386-F388 VanDerWaalsContact O-N 3.13Å
389Y29.2Very low30.2Very low168 Ų168146 Ų14666%0.65977%0.769SS**  trans-109.2101.1161.8-81.7-92.5000109.1V387 Y391V387-Y389 HydrophobicContact CG1-CD2 4.04Å; V387-Y389 HydrophobicContact CG1-CE2 3.61Å; V387-Y389 PolarHBondContact O-N 2.82Å; Y389-Y391 PolarHBondContact O-N 3.36Å
390S24.3Very low30.4Very low106 Ų106150 Ų15074%0.74179%0.788SS**  trans-81.6110170.254.80000110.3V392S390-V392 PolarHBondContact O-N 3.41Å
391Y28.6Very low30.9Very low222 Ų222150.7 Ų150.787%0.87179%0.793SS**  trans-71.3114.6165.4-88-87.2000109.7Y389Y389-Y391 PolarHBondContact O-N 3.36Å
392V26.4Very low31.4Very low119 Ų119145.5 Ų145.572%0.72179%0.789SS**  trans-87.5105.4167.4178.30000107.7S390 R394S390-V392 PolarHBondContact O-N 3.41Å; V392-R394 PolarHBondContact O-N 3.07Å
393V28.6Very low31.9Very low132 Ų132144.1 Ų144.180%0.879%0.79SS**PPolyproline II helixtrans-67.8123.2166.8179.90000107.8
394R29.4Very low32.4Very low229 Ų229140 Ų14086%0.86478%0.781SS**PPolyproline II helixtrans-100.3121.3167.7-91.5-174.5168.6-178.9-3.7108.9V392V392-R394 PolarHBondContact O-N 3.07Å
395E32.3Very low32.9Very low177 Ų177142 Ų14283%0.82778%0.781SS**PPolyproline II helixtrans-70152.2164.9-64.9178.3133.700110.3
396P44.1Very low33.5Very low117 Ų117139.6 Ų139.676%0.7678%0.782SS**PPolyproline II helixtrans-71.1152.3174.330.8-35000111.4
397P37.6Very low34Very low125 Ų125141.1 Ų141.181%0.81279%0.794SS**PPolyproline II helixtrans-70.9146.3177.530.9-35000111.5
398A32.5Very low34.3Very low98 Ų98139.1 Ų139.181%0.8180%0.798SS**PPolyproline II helixtrans-82.3136.6176.300000111.7
399E43.5Very low35.1Very low199 Ų199138.8 Ų138.893%0.9380%0.798SS**PPolyproline II helixtrans-89.5140.7165.7-69.1-166.4152.300111.1
400T36.4Very low35.7Very low138 Ų138139.3 Ų139.385%0.84781%0.807SS**PPolyproline II helixtrans-99.1126.3-178.451.30000111.8
401S39.5Very low36.3Very low122 Ų122138.2 Ų138.285%0.85381%0.812SS**  trans-141.1158.5147700000110.1
402T38Very low36.8Very low136 Ų136132.4 Ų132.483%0.83481%0.81SS**  trans-121169.5-160.846.20000113.1
403A36.6Very low37.3Very low92 Ų92137.1 Ų137.176%0.7681%0.814SS**  trans86.3104.9153.900000119.4
404S36.3Very low37.8Very low94 Ų94138.8 Ų138.866%0.65781%0.811SS**  101.2119.3108.6-165.20000120.7
405Q39.4Very low38.3Very low180 Ų180133.9 Ų133.984%0.84181%0.807SS**  trans83.1121.9140.8-80.2168.84.800122.4
406A38.5Very low38.8Very low93 Ų93130.7 Ų130.777%0.76980%0.801SS**  trans72.4151.5132.900000120.3
407S37.8Very low38.5Very low117 Ų117131.9 Ų131.982%0.81880%0.8SS**  cis-168.4141.4-2853.60000111.4
408G36.1Very low38.2Very low75 Ų75132.8 Ų132.877%0.77380%0.798SS**  trans91.9164.1162.600000116.3
409Q41.4Very low38.2Very low175 Ų175139 Ų13982%0.81880%0.8SS**  cis-162.2153.4-20.5-125.6-172.55.800109.7
410H41.4Very low37.8Very low180 Ų180135.6 Ų135.683%0.83379%0.793SS**  trans16.1123.9164.3-60.3-66.1000122.5
411G37.6Very low37.8Very low82 Ų82134.5 Ų134.585%0.84579%0.786SS**  trans-167.4134.2154.500000109.7
412A38.4Very low37.8Very low100 Ų100136.2 Ų136.283%0.82678%0.781SS**  trans-137.2158.6-162.300000116.3
413R37Very low37.8Very low218 Ų218135.6 Ų135.682%0.82378%0.782SS**  trans87.3118.5162.5-71-176.7162.1-168.9-1.4120.7
414K39.7Very low38Very low168 Ų168134.9 Ų134.973%0.7378%0.784SS**  75.186.9129.2-64.9-174.8174.2-164.60121.2
415T41Very low38Very low126 Ų126138.9 Ų138.977%0.77379%0.792SS**  -3.9159117.257.20000119.7
416P41.4Very low38Very low110 Ų110140.7 Ų140.771%0.71479%0.793SS**  cis-142.2-152.9-40.438-16.4000112.5
417I38.7Very low37.9Very low142 Ų142146.1 Ų146.173%0.72879%0.793SS**  trans104.997.8160-53.8-177.7000118.6
418N31.7Very low37.9Very low144 Ų144145.2 Ų145.277%0.7778%0.783SS**  trans62.1139.7136.3-66.9-11.1000125.9
419R31.6Very low38Very low228 Ų228147.2 Ų147.286%0.8678%0.78SS**  trans96.9150.7144.1-86.7176.8179.6178.80.2120.3
420T34.5Very low37.7Very low128 Ų128144.5 Ų144.579%0.78578%0.776SS**  trans64.3137.8169.244.90000116.6
421T36.8Very low37.6Very low114 Ų114146 Ų14670%0.69978%0.78SS**  cis-146.7-148.4-9.4-50000109
422E38.9Very low37.3Very low158 Ų158148.3 Ų148.374%0.73878%0.778SS**  cis-156.3173.75.8-151.6128.8-71.300112.6
423S39.4Very low37.4Very low123 Ų123150.3 Ų150.386%0.8678%0.779SS**  trans70.8138.2166.575.50000118.4
424G39.6Very low37.3Very low77 Ų77144.9 Ų144.979%0.79477%0.771SS**  cis-163151.3-6.400000112.5
425Q36.1Very low37.1Very low178 Ų178143 Ų14383%0.83277%0.769SS**  trans-125.9151.9-175.5-61.1178.2-34.700112.2
426Y39.9Very low36.8Very low218 Ų218144 Ų14486%0.85577%0.769SS**  trans-146.6121.7138.3-82.8-81.5000107.2
427R37.9Very low36.5Very low208 Ų208143.5 Ų143.579%0.78577%0.768SS**  76.7135.971.4-92.9-159161.6-173.1-3.3114
428T36.3Very low36.4Very low98 Ų98146.8 Ų146.860%0.60177%0.772SS**  cis-171.9171.4-14.23.90000111.4
429T37.8Very low36.5Very low116 Ų116146.9 Ų146.971%0.71277%0.772SS**  trans66.6148.8146.847.50000120.4
430T34.9Very low36.7Very low119 Ų119140 Ų14073%0.7377%0.772SS**  cis172.3140.3-37.632.80000108.5
431K39.5Very low36.6Very low210 Ų210139.5 Ų139.591%0.91377%0.774SS**  174150.3127.9-99.8170.9-178.7-179.30113.5
432T31.6Very low36.4Very low131 Ų131139.1 Ų139.180%0.80478%0.776SS**  trans-109.5151.9171.7-39.50000109.3
433V40.8Very low36.4Very low142 Ų142136.6 Ų136.686%0.86178%0.776SS**  trans-168169.4150.2132.90000109.4
434T34.5Very low36.1Very low104 Ų104137.4 Ų137.464%0.63877%0.77SS**  trans-123.5173.4-15455.10000115.9
435N36.4Very low35.9Very low129 Ų129139.2 Ų139.269%0.6977%0.771SS**  trans87.7121.7147.1-70.7-4.6000122.7
436N35Very low36Very low147 Ų147138.1 Ų138.179%0.78677%0.766SS**  trans77.2136.1130.3-60.9-8.3000123.3
437S34.7Very low35.8Very low99 Ų99135 Ų13569%0.69276%0.764SS**  118106.1126.6-167.50000119.5
438R36.6Very low35.9Very low212 Ų212132.8 Ų132.880%0.876%0.76SS**  trans66.2131.1135.1-70.7-170.3151.5134.8-2.4123.3
439D33.3Very low35.9Very low145 Ų145132.5 Ų132.578%0.77576%0.762SS**  42.9115.8118.5-36.7-27.8000119.8
440G36.7Very low35.7Very low84 Ų84135.1 Ų135.187%0.86677%0.771SS**  trans-163.8121.7164.300000111.1
441S32.3Very low35.8Very low118 Ų118132.7 Ų132.783%0.82577%0.77SS**  trans-121.5154.3-167.857.70000114
442S31.9Very low35.6Very low105 Ų105129.8 Ų129.873%0.73476%0.762SS**  trans61.2125.1155.8-162.20000119.7
443S38Very low35.9Very low105 Ų105129.2 Ų129.273%0.73476%0.764SS**  174.1135.699.245.70000116.2
444N34.7Very low35.5Very low140 Ų140131.6 Ų131.675%0.74977%0.765SS**  trans41.9134.4137.6-58-9.5000125.1
445S34.4Very low35.6Very low116 Ų116132 Ų13281%0.81177%0.772SS**  trans70152.713665.80000119.2
446E38.9Very low35.5Very low155 Ų155131.3 Ų131.372%0.72478%0.778SS**  cis-136.5171.425.4-80.6-160.9113.500115.4K448E446-K448 IonicContact OE1-NZ 3.26Å; E446-K448 PolarHBondContact OE1-NZ 2.89Å; E446-K448 IonicContact OE2-NZ 2.78Å; E446-K448 PolarHBondContact OE2-NZ 2.85Å
447N34.8Very low35.7Very low152 Ų152132.8 Ų132.881%0.81379%0.785SS**  trans-89.8146.1166.6-64.5-59.9000112.7
448K40.3Very low35.8Very low161 Ų161132.6 Ų132.670%0.778%0.784SS**  trans-175.5157145.8-87126.4-155.8164.20109.2E446E446-K448 IonicContact OE1-NZ 3.26Å; E446-K448 PolarHBondContact OE1-NZ 2.89Å; E446-K448 IonicContact OE2-NZ 2.78Å; E446-K448 PolarHBondContact OE2-NZ 2.85Å
449S36.2Very low36Very low92 Ų92131.8 Ų131.864%0.64379%0.786SS**  166126.2-50.752.10000109.6
450L34.9Very low36.4Very low172 Ų172133.9 Ų133.990%0.90179%0.788SS**  trans69.5153.3157.4-61.1165.6000120.3
451G35.2Very low36.5Very low68 Ų68137.9 Ų137.970%0.70179%0.786SS**  trans13167.4178.200000113
452I37.3Very low36.9Very low149 Ų149137.4 Ų137.476%0.76478%0.778SS**  60.5109.177.7-54.7171.6000114.1
453S37.3Very low37.6Very low119 Ų119140.8 Ų140.883%0.83278%0.78SS**  -177.9143.4128.2-82.50000113.2
454Q32.6Very low37.8Very low191 Ų191142.8 Ų142.889%0.89378%0.782SS**  trans-130136.1168-71.4-176.4-8.300110.1
455S36.4Very low38.1Very low112 Ų112145.4 Ų145.478%0.78379%0.787SS**  trans-179.2127.9147.239.40000107.8
456S34.8Very low38.3Very low115 Ų115149.1 Ų149.180%0.80479%0.789SS**  cis76.7105.342.186.80000113.8
457L38.6Very low38.3Very low178 Ų178153.7 Ų153.793%0.93280%0.799SS**  trans-147.8143.3166.7-118.8167.1000108.9
458S35.9Very low38.4Very low96 Ų96152.8 Ų152.867%0.67180%0.799SS**  trans-152.5164.8-166.463.90000112
459K41.9Very low38.2Very low195 Ų195151.3 Ų151.385%0.84881%0.807SS**  trans120.9151.4167.1-70.7156.6-171.8171.90112.7
460K40.5Very low38.1Very low189 Ų189157.1 Ų157.182%0.82282%0.821SS**  cis-172.9178.2-31.6-143.2168-177.5174.30107.6
461M40.1Very low38.1Very low168 Ų168153 Ų15383%0.82882%0.82SS**  trans73.7145.2159.8-75.8176.916900118.9
462T40.6Very low38.2Very low107 Ų107158.4 Ų158.466%0.65683%0.827SS**  cis-165.6155.5-32.46.20000113.3
463K46.2Very low38.1Very low176 Ų176157.6 Ų157.677%0.76582%0.823SS**  trans70.2120.2145.3-72.7168.1179.6175.80122
464N42Very low38Very low147 Ų147163.4 Ų163.479%0.78683%0.827SS**  55.8147.6128-61.1-24.7000120.6
465K42.1Very low37.8Very low195 Ų195159.8 Ų159.885%0.84882%0.822SS**  cis-166.7155.432.5-149.6172-177.3179.10113
466K38Very low37.9Very low195 Ų195159.5 Ų159.585%0.84882%0.818SS**  trans-36.1141172.3-56.5170.9174.1179.90117.4
467R39.2Very low38Very low250 Ų250160.9 Ų160.994%0.94382%0.815SS**  -175.7151.5102.3-106.5-178.3172.4171.6-2.8116.9
468V36.8Very low37.9Very low134 Ų134158.4 Ų158.481%0.81280%0.802SS**  trans-64.1142.7179.7174.20000115.3
469C36Very low37.9Very low129 Ų129162.9 Ų162.987%0.87281%0.812SS**  -171.9169.3127.8-112.80000114.3
470K33.8Very low37.4Very low215 Ų215159.8 Ų159.894%0.93581%0.805SS**  trans-97.1150.7-177.5-61.5175.7178.5178.40111.9
471G35.7Very low37.3Very low85 Ų85157.2 Ų157.288%0.87681%0.805SS**  trans-165.6136.3169.700000111
472Q36.4Very low37.1Very low182 Ų182155.2 Ų155.285%0.8580%0.802SS**  trans-123161.9-162.6-164.9-173.4-11.900110.8
473I36.4Very low36.9Very low132 Ų132155.6 Ų155.668%0.67781%0.809SS**  trans92.9117.9159.4-51.8-175.9000119
474R33.4Very low36.4Very low241 Ų241152 Ų15291%0.90981%0.807SS**  trans75.8139.8152.2-76168.6-176.1178.9-0.3123.1
475S29.1Very low36Very low114 Ų114153.8 Ų153.880%0.79781%0.81SS**  trans-75.5-174169.4-22.50000112
476P39.5Very low35.5Very low107 Ų107153.8 Ų153.870%0.69581%0.81SS**  cis-144.4-167.215.341.4-19.4000117.8
477L35.6Very low35.2Very low143 Ų143152.7 Ų152.775%0.74981%0.813SS**  trans93.9113.3143.8-112.867.6000122.2
478I36.1Very low34.8Very low126 Ų126147 Ų14765%0.64681%0.81SS**  trans55.2122.8133.7-65.3173.4000120.9
479E36.4Very low34.7Very low190 Ų190146 Ų14689%0.88881%0.809SS**  -158.6169.7112.4-108.5-175.2-175.300111.9
480N32Very low34.6Very low130 Ų130145.7 Ų145.770%0.69580%0.798SS**  trans-126.1152.4-155.7-55-62.9000115.5
481T38.9Very low34.7Very low136 Ų136138.9 Ų138.983%0.83478%0.777SS**  trans-163.8114.3142.540.40000108.4
482T35Very low34.9Very low125 Ų125140.3 Ų140.377%0.76777%0.765SS**  cis88.492.346.664.30000115.9
483S36.3Very low35.3Very low115 Ų115135 Ų13580%0.80475%0.748SS**  trans171.8135.6150.2-178.50000109.4
484S35.9Very low35.7Very low102 Ų102132.7 Ų132.771%0.71374%0.737SS**  cis-150.5154.7-15.1-84.50000111.4
485Q34.3Very low36.3Very low183 Ų183127.1 Ų127.186%0.85572%0.719SS**  trans-26.7156.6169.4-62.9164.3-6.800117.8
486K30.2Very low37.1Very low196 Ų196126.2 Ų126.285%0.85271%0.705SS**  cis-135149.429.9-66.8174177.1178.30114.4
487L32.3Very low37.3Very low172 Ų172128.5 Ų128.590%0.90170%0.702SS**  trans-132.9137.5161.7-99.9162.6000107.2S489L487-S489 PolarHBondContact O-N 3.14Å
488C30.2Very low37.9Very low130 Ų130125 Ų12588%0.87868%0.683SS**  trans-85.7100173.9-680000109.6
489S35.3Very low38.8Very low113 Ų113126 Ų12679%0.7969%0.685SS**PPolyproline II helixtrans-73.9131167.151.90000110.1L487L487-S489 PolarHBondContact O-N 3.14Å
490L33.5Very low39.2Very low123 Ų123124.6 Ų124.664%0.64467%0.671SS**PPolyproline II helixtrans-57.4145.8171.4-78.682.4000110.9
491S36.5Very low39.9Very low72 Ų72121.3 Ų121.350%0.50365%0.654SS.*PPolyproline II helixtrans-75.2137.1162.539.50000110.3S493S491-S493 WeakPolarHBondContact CB-OG 3.2Å; S491-S493 PolarHBondContact O-N 2.95Å; S491-S493 PolarHBondContact OG-OG 2.97Å; S491-S493 VanDerWaalsContact OG-OG 3.06Å
492D40.4Very low40.2Very low114 Ų114119.4 Ų119.461%0.6164%0.638SS**THydrogen-bonded Turntrans-67.10.9177.7-77.1-57000114.3D494 K495D492-D494 VanDerWaalsContact C-N 3.25Å; D492-D494 PolarHBondContact O-N 2.93Å; D492-K495 WeakPolarHBondContact OD1-CE 3.42Å; D492-K495 IonicContact OD1-NZ 3.13Å; D492-K495 PolarHBondContact OD1-NZ 3.46Å
493S43.5Very low40.9Very low72 Ų72117.4 Ų117.450%0.50363%0.63SS.*THydrogen-bonded Turntrans-60.5-30.417347.50000114.1S491S491-S493 WeakPolarHBondContact CB-OG 3.2Å; S491-S493 PolarHBondContact O-N 2.95Å; S491-S493 PolarHBondContact OG-OG 2.97Å; S491-S493 VanDerWaalsContact OG-OG 3.06Å
494D45.4Very low41.4Very low83 Ų83119.2 Ų119.244%0.44463%0.625SS.*THydrogen-bonded Turntrans-92.2-18.4-161.9-59.32.1000112.3D492 Y497 L498D492-D494 VanDerWaalsContact C-N 3.25Å; D492-D494 PolarHBondContact O-N 2.93Å; D494-Y497 PolarHBondContact O-N 3.38Å; D494-L498 WeakPolarHBondContact O-CG 3.49Å; D494-L498 PolarHBondContact O-N 3.45Å
495K45.4Very low42Very low123 Ų123122.2 Ų122.254%0.53563%0.628SS.*Hα-helixtrans-65.5-47175.5-69.4172.1-178.3161.80111.7D492 Y497 L498 E499D492-K495 WeakPolarHBondContact OD1-CE 3.42Å; D492-K495 IonicContact OD1-NZ 3.13Å; D492-K495 PolarHBondContact OD1-NZ 3.46Å; K495-Y497 PolarHBondContact O-N 3.39Å; K495-L498 PolarHBondContact O-N 3.28Å; K495-L498 VanDerWaalsContact O-N 3.07Å; K495-E499 PolarHBondContact O-N 2.89Å
496D46.7Very low42.2Very low95 Ų95118.6 Ų118.651%0.50862%0.622SS.*Hα-helixtrans-58.2-28.6178.1-97.745.7000113.2R500D496-R500 WeakPolarHBondContact O-CD 3.26Å; D496-R500 VanDerWaalsContact O-CG 3.3Å; D496-R500 WeakPolarHBondContact O-CG 3.44Å; D496-R500 IonicContact OD2-NH2 3.63Å
497Y44.2Very low42.6Very low156 Ų156113.7 Ų113.761%0.61261%0.613SS**Hα-helixtrans-78.6-38.5176.6-167.9-101.8000112.1D494 K495 L501D494-Y497 PolarHBondContact O-N 3.38Å; K495-Y497 PolarHBondContact O-N 3.39Å; Y497-L501 HydrophobicContact CD1-CD1 4.14Å; Y497-L501 HydrophobicContact CE1-CD1 3.74Å; Y497-L501 PolarHBondContact O-N 3.23Å
498L48.2Very low42.8Very low69 Ų69115 Ų11536%0.36161%0.611SS.*Hα-helixtrans-71.9-41.9179.6-69.8170000112.7D494 K495 R500 L501 D502 I731D494-L498 WeakPolarHBondContact O-CG 3.49Å; D494-L498 PolarHBondContact O-N 3.45Å; K495-L498 PolarHBondContact O-N 3.28Å; K495-L498 VanDerWaalsContact O-N 3.07Å; L498-R500 VanDerWaalsContact C-N 3.28Å; L498-R500 PolarHBondContact O-N 2.81Å; L498-L501 PolarHBondContact O-N 2.94Å; L498-D502 PolarHBondContact O-N 3.28Å; L498-I731 HydrophobicContact CD2-CD1 3.62Å
499E53.1Low43Very low146 Ų146114.4 Ų114.468%0.68261%0.609SS**Hα-helixtrans-64.2-32.4177.8-70.4-163158.800112.5K495 S503K495-E499 PolarHBondContact O-N 2.89Å; E499-S503 WeakPolarHBondContact O-CB 3.31Å; E499-S503 PolarHBondContact O-N 2.93Å; E499-S503 PolarHBondContact O-OG 3.22Å
500R46.9Very low43.1Very low161 Ų161114.7 Ų114.761%0.60861%0.608SS**Hα-helixtrans-65.4-42.5175.7-73.3176.1-168.1174.811.2112D496 L498 S503 E504D496-R500 WeakPolarHBondContact O-CD 3.26Å; D496-R500 VanDerWaalsContact O-CG 3.3Å; D496-R500 WeakPolarHBondContact O-CG 3.44Å; D496-R500 IonicContact OD2-NH2 3.63Å; L498-R500 VanDerWaalsContact C-N 3.28Å; L498-R500 PolarHBondContact O-N 2.81Å; R500-S503 PolarHBondContact O-N 3.23Å; R500-S503 PolarHBondContact O-OG 2.63Å; R500-E504 PolarHBondContact O-N 3.46Å
501L46Very low43.2Very low62 Ų62114.7 Ų114.733%0.32562%0.617SS.*Hα-helixtrans-67.8-40179.4-73.9169.8000113.3Y497 L498 S503 I731Y497-L501 HydrophobicContact CD1-CD1 4.14Å; Y497-L501 HydrophobicContact CE1-CD1 3.74Å; Y497-L501 PolarHBondContact O-N 3.23Å; L498-L501 PolarHBondContact O-N 2.94Å; L501-S503 PolarHBondContact O-N 3.33Å; L501-I731 HydrophobicContact CD1-CG2 4.36Å
502D45.6Very low43.2Very low95 Ų95119.2 Ų119.251%0.50864%0.635SS.*Hα-helixtrans-65.5-27.2174.3-87.4-14.9000112L498 K747L498-D502 PolarHBondContact O-N 3.28Å; D502-K747 IonicContact OD1-NZ 3.68Å; D502-K747 IonicContact OD2-NZ 3.69Å; D502-K747 PolarHBondContact OD2-NZ 3.18Å
503S48.8Very low42.5Very low84 Ų84119.5 Ų119.559%0.58765%0.645SS**Hα-helixtrans-83.3-28.7-177.370.40000115.4E499 R500 L501E499-S503 WeakPolarHBondContact O-CB 3.31Å; E499-S503 PolarHBondContact O-N 2.93Å; E499-S503 PolarHBondContact O-OG 3.22Å; R500-S503 PolarHBondContact O-N 3.23Å; R500-S503 PolarHBondContact O-OG 2.63Å; L501-S503 PolarHBondContact O-N 3.33Å
504E47.1Very low42.2Very low153 Ų153122.5 Ų122.572%0.71566%0.663SS**Hα-helixtrans-76.7-24.5-179.7-71.4-164.414400114R500R500-E504 PolarHBondContact O-N 3.46Å
505H48.6Very low41.6Very low165 Ų165124 Ų12476%0.76468%0.68SS**THydrogen-bonded Turntrans-93.711.1-170.9-80.168.9000115.3
506S38.5Very low41.2Very low106 Ų106126.6 Ų126.674%0.74170%0.699SS**SBendtrans-126.449.7-175.6-157.30000114.2
507S39.4Very low40.7Very low93 Ų93126 Ų12665%0.6571%0.707SS**  trans-149.3146.8164.1800000115.8
508K35.9Very low40.1Very low200 Ų200124 Ų12487%0.8772%0.716SS**  trans93115.7164.5-60.2170.5-173.6171.50118.2
509S34.7Very low39.9Very low117 Ų117126.4 Ų126.482%0.81874%0.735SS**  trans-90.7173.5169.7-111.10000111.6
510P37Very low39.3Very low119 Ų119125.3 Ų125.377%0.77374%0.738SS**  trans-98.2163.5-152.637.8-38000116.3
511C35.7Very low38.9Very low123 Ų123123.5 Ų123.583%0.83175%0.745SS**  trans-143.8113.9171.5-60.90000112.6
512N35.7Very low38.6Very low167 Ų167129.4 Ų129.489%0.89377%0.771SS**  trans17.2139.5150.7-55.9-16.3000123.7
513C27.2Very low38Very low120 Ų120135.2 Ų135.281%0.81179%0.786SS**  trans-78.2176.7163.8-460000112.9
514P37Very low37.6Very low136 Ų136136.6 Ų136.688%0.88379%0.792SS**  -144.6-170.291.739.3-22.3000115.5
515S32.2Very low37.1Very low114 Ų114134.6 Ų134.680%0.79779%0.791SS**  trans-111.3152.9-159.156.90000117.4
516L36.9Very low36.6Very low178 Ų178132.4 Ų132.493%0.93279%0.794SS**  trans-166.3155.5153.7-95.7166.5000106.6
517A37Very low36.4Very low82 Ų82131.7 Ų131.768%0.67879%0.789SS**  cis-155.5-178.2-6.200000110.7
518S30.8Very low36.2Very low115 Ų115137 Ų13780%0.80480%0.801SS**  trans-145-169.2174.5-460000109.1
519P45Very low36.3Very low118 Ų118130.4 Ų130.477%0.76679%0.789SS**  cis-137.5-136.4-6.443.1-21.8000113.8
520V38.7Very low36.3Very low123 Ų123130.7 Ų130.775%0.74579%0.786SS**  trans91.2102.6173.3-173.80000114.2
521V39.1Very low36.2Very low123 Ų123135 Ų13575%0.74579%0.793SS**  76.7128.674172.20000111.1
522E39Very low36.2Very low186 Ų186133 Ų13387%0.86979%0.793SS**  -161.6179.662-153.8154.7-107.100115.7
523R33.2Very low35.9Very low218 Ų218131 Ų13182%0.82379%0.79SS**  trans-162134.6-179.5-179-148.7-94.8179.4-7.1114.6
524P41.3Very low36.1Very low112 Ų112130.3 Ų130.373%0.72779%0.786SS**  trans-130.3153.814228.7-11.9000112.3
525T36.1Very low35.9Very low111 Ų111131.5 Ų131.568%0.68178%0.783SS**  cis92.4142.524.264.90000117.1
526S37.6Very low36.2Very low120 Ų120131.7 Ų131.784%0.83979%0.785SS**  trans92.9161.4176.979.90000118
527S35.2Very low36.1Very low90 Ų90132.2 Ų132.263%0.62978%0.782SS**  -173.5163.6-67.546.80000113.2
528F36.1Very low36.1Very low206 Ų206132 Ų13290%0.90479%0.789SS**  trans69.9153.4175.2-60-88.9000117.3
529G37.6Very low36.4Very low60 Ų60135.9 Ų135.962%0.61979%0.791SS**  cis-179.6140.4-9.200000116.7
530T33.7Very low36Very low124 Ų124135.1 Ų135.176%0.76180%0.795SS**  trans37.9127148.843.80000125.7
531K34.6Very low35.9Very low209 Ų209140 Ų14091%0.90980%0.8SS**  trans71.6135.1135.4-64.9175.4179.1179.70121.4
532G35.4Very low35.9Very low81 Ų81142.2 Ų142.284%0.83580%0.802SS**  trans-176.6140.8164.600000113
533C30.9Very low35.7Very low124 Ų124138.2 Ų138.284%0.83880%0.795SS**  trans-103.9143-165.9-82.40000116.5
534C30.8Very low35.5Very low107 Ų107139.2 Ų139.272%0.72380%0.798SS**  58.8141.3128.6-600000125.1
535I32.5Very low35.2Very low160 Ų160144.3 Ų144.382%0.82181%0.805SS**  trans73.8112.3148.1-62.1152.4000119.3
536S38.6Very low34.9Very low119 Ų119143.5 Ų143.583%0.83281%0.809SS**  -175.3163.4111.234.40000111.7
537E34.6Very low34.8Very low188 Ų188144.6 Ų144.688%0.87981%0.811SS**  trans-97.8155.5-171.9-57.5-177.1107.400113.9
538G36.5Very low34.8Very low79 Ų79145.8 Ų145.881%0.81482%0.819SS**  trans-162.9113.1169.200000112.8
539K37Very low34.6Very low196 Ų196142.8 Ų142.885%0.85281%0.813SS**  trans-93.5133.2-175-66.7166.4-179.6160.70112.4
540A36.9Very low34.4Very low102 Ų102145.8 Ų145.884%0.84382%0.824SS**  trans-157.1154.5145.500000112.7
541R37.1Very low34.4Very low226 Ų226144.3 Ų144.385%0.85382%0.824SS**  trans-78.2174.8177.6-61.5170.8163.1165.2-7.1110.1
542Q39.5Very low34.5Very low168 Ų168143.2 Ų143.279%0.78582%0.822SS**  cis-165.3173.924.6-153.9149-10.600113.5
543S34.6Very low34.5Very low103 Ų103144.7 Ų144.772%0.7282%0.815SS**  trans79.2119.4161.8-153.80000118.4
544R29.1Very low34.8Very low238 Ų238145.1 Ų145.190%0.89881%0.808SS**  trans-155.7129.9164.6-155.8-165.8-61169.7-0.5106.4
545Y34.5Very low35.2Very low220 Ų220148 Ų14886%0.86381%0.808SS**  trans-114.2119172.3-90.7-81.8000110.1
546A30.9Very low35.5Very low93 Ų93147.8 Ų147.877%0.76981%0.809SS**  trans-155.8134.3165.300000106.7
547T35.5Very low35.3Very low144 Ų144145.6 Ų145.688%0.88381%0.806SS**  trans-129.7146.3178.740.50000110
548S34.1Very low35.5Very low114 Ų114146.5 Ų146.580%0.79781%0.807SS**  trans-127.4163.2-171.2-175.20000110.2
549D31.3Very low35.5Very low144 Ų144147.9 Ų147.977%0.7781%0.81SS**  trans-64.6161-178.4-56.6-74.9000115.1
550S34.8Very low35.5Very low122 Ų122142.1 Ų142.185%0.85381%0.807SS**  trans132.5136.6133.6-61.40000117.2
551A32.8Very low35.4Very low93 Ų93143.5 Ų143.577%0.76981%0.805SS**  trans-45.8152.717700000119.3
552E38.1Very low35.3Very low186 Ų186137.7 Ų137.787%0.86980%0.798SS**  -173.2166121.8-96.4-168.6-178.600107.3
553V33.8Very low34.9Very low113 Ų113135.5 Ų135.569%0.68580%0.797SS**  cis154.1144-25.9151.40000107.1
554L38.3Very low35Very low133 Ų133136 Ų13670%0.69680%0.8SS**  trans83.5118.4165.5-115.770000122.4
555K38.2Very low35.2Very low167 Ų167130 Ų13073%0.72679%0.794SS**  trans61.4134.6137.7-76.8171.3-164.6171.40119.7
556N38.7Very low35.1Very low155 Ų155125.7 Ų125.783%0.82979%0.794SS**  cis-158170.529.1-84.4-46.5000110.3
557G35.6Very low35.3Very low74 Ų74123.3 Ų123.376%0.76378%0.778SS**  trans159.923.4156.600000126.5
558K38.3Very low35.5Very low207 Ų207123.7 Ų123.790%0.978%0.775SS**  trans62.997.6148.5-160.7177.1-172.6179.60121.3
559A36.9Very low35.9Very low108 Ų108123.1 Ų123.189%0.89377%0.771SS**  trans57126.4137.100000122.6
560G37.1Very low36.4Very low75 Ų75123.6 Ų123.677%0.77377%0.769SS**  trans-173.149176.700000117.7
561T34.7Very low37.4Very low131 Ų131122.9 Ų122.980%0.80476%0.759SS**  trans40.6109.9153.8-36.40000122
562S33.9Very low38.7Very low103 Ų103122.1 Ų122.172%0.7274%0.739SS**  trans77.8141.9140.670.20000124.7
563T32.3Very low39.8Very low122 Ų122116.8 Ų116.875%0.74872%0.717SS**  trans93.7114.1147.2-40000122.2
564S35.4Very low41.3Very low113 Ų113116.7 Ų116.779%0.7971%0.713SS**  trans69.4135149.540.50000122.7
565S34.2Very low43.1Very low112 Ų112111.9 Ų111.978%0.78370%0.695SS**  trans-76.2-174.7170.7-23.60000112.8
566P33Very low45Very low131 Ų131104 Ų10485%0.85166%0.661SS**  cis-131-175.61.442.2-25.6000114.9
567G33.8Very low46.8Very low43 Ų4399.6 Ų99.644%0.44364%0.639SS.*  trans176.8-6.7168.300000121.8S569G567-S569 VanDerWaalsContact C-N 3.29Å; G567-S569 PolarHBondContact O-N 2.76Å
568D39.2Very low48.9Very low151 Ų151100.8 Ų100.881%0.80763%0.628SS**THydrogen-bonded Turntrans-69.8-4.9-158-55.2-64.7000118.4
569S43.9Very low51Low102 Ų10292.4 Ų92.471%0.71359%0.593SS**THydrogen-bonded Turntrans-86.4-24.7-174.453.10000115.6G567G567-S569 VanDerWaalsContact C-N 3.29Å; G567-S569 PolarHBondContact O-N 2.76Å
570E41.8Very low53.1Low155 Ų15587.4 Ų87.472%0.72455%0.551SS**Hα-helixtrans-79.9-30.2-170.1-61-170.614800112.6N573 D574E570-N573 PolarHBondContact O-N 3.26Å; E570-D574 PolarHBondContact O-N 2.83Å
571T55.6Low55.3Low106 Ų10690.1 Ų90.165%0.6554%0.543SS*.Hα-helixtrans-74.2-35.3-173.954.50000114.2N573 G575T571-N573 PolarHBondContact O-N 2.79Å; T571-G575 PolarHBondContact O-N 3.36Å; T571-G575 VanDerWaalsContact O-N 3.17Å
572E59.4Low57.6Low77 Ų7791 Ų9136%0.3653%0.532SS..Hα-helixtrans-67.8-24.6172.1-78.5-150131.100111.8M576 R595 K602E572-M576 WeakPolarHBondContact O-CB 3.31Å; E572-M576 PolarHBondContact O-N 2.7Å; E572-M576 VanDerWaalsContact O-N 3.1Å; E572-R595 IonicContact OE1-CZ 3.05Å; E572-R595 IonicContact OE1-NH2 3.12Å; E572-R595 PolarHBondContact OE1-NH2 2.97Å; E572-K602 VanDerWaalsContact CD-NZ 3.34Å; E572-K602 IonicContact OE1-NZ 3.47Å; E572-K602 PolarHBondContact OE1-NZ 3.09Å; E572-K602 IonicContact OE2-NZ 3.6Å; E572-K602 PolarHBondContact OE2-NZ 3.3Å
573N62.2Low59.9Low74 Ų7486 Ų8640%0.39650%0.498SS..Hα-helixtrans-75.6-44.4179.1-168.841.3000112.9E570 T571 M576 T577 R603E570-N573 PolarHBondContact O-N 3.26Å; T571-N573 PolarHBondContact O-N 2.79Å; N573-M576 PolarHBondContact O-N 3.13Å; N573-T577 PolarHBondContact O-N 3.29Å; N573-T577 PolarHBondContact O-OG1 3.39Å; N573-R603 PolarHBondContact OD1-NH1 3.17Å; N573-R603 VanDerWaalsContact OD1-NH1 3.08Å; N573-R603 PolarHBondContact OD1-NH2 3.08Å
574D65.5Low62.4Low112 Ų11281.3 Ų81.360%0.59947%0.469SS*.Hα-helixtrans-63.2-47.1173.9-174.348.1000111E570 M576 T577 L578E570-D574 PolarHBondContact O-N 2.83Å; D574-M576 VanDerWaalsContact C-N 3.29Å; D574-M576 PolarHBondContact O-N 3.19Å; D574-T577 PolarHBondContact O-N 3.12Å; D574-T577 VanDerWaalsContact O-N 3.13Å; D574-L578 WeakPolarHBondContact O-CB 3.4Å; D574-L578 PolarHBondContact O-N 3.25Å
575G76Confident64.7Low31 Ų3180.3 Ų80.332%0.3246%0.457SS..Hα-helixtrans-58.9-35.8176.600000114.2T571 L579T571-G575 PolarHBondContact O-N 3.36Å; T571-G575 VanDerWaalsContact O-N 3.17Å; G575-L579 WeakPolarHBondContact O-CB 3.23Å; G575-L579 WeakPolarHBondContact O-CG 3.42Å; G575-L579 PolarHBondContact O-N 2.92Å; G575-L579 VanDerWaalsContact O-N 3.16Å
576M76.6Confident67.1Low1 Ų178.3 Ų78.31%0.00544%0.441CS..Hα-helixtrans-69.2-47.5173.2177.6171.3160.100112E572 N573 D574 L578 L579 V580 L596 L599 F600 R603 A611E572-M576 WeakPolarHBondContact O-CB 3.31Å; E572-M576 PolarHBondContact O-N 2.7Å; E572-M576 VanDerWaalsContact O-N 3.1Å; N573-M576 PolarHBondContact O-N 3.13Å; D574-M576 VanDerWaalsContact C-N 3.29Å; D574-M576 PolarHBondContact O-N 3.19Å; M576-L578 VanDerWaalsContact C-N 3.32Å; M576-L578 PolarHBondContact O-N 3.15Å; M576-L579 PolarHBondContact O-N 3.31Å; M576-L579 VanDerWaalsContact O-N 3.13Å; M576-V580 PolarHBondContact O-N 2.97Å; M576-L596 HydrophobicContact CG-CD1 4.37Å; M576-L599 HydrophobicContact CB-CD1 4.15Å; M576-L599 HydrophobicContact CG-CB 4.34Å; M576-L599 HydrophobicContact SD-CB 4.15Å; M576-F600 HydrophobicContact CE-CD1 3.51Å; M576-F600 HydrophobicContact CE-CE1 3.5Å; M576-F600 VanDerWaalsContact CE-CE1 3.5Å; M576-R603 VanDerWaalsContact SD-CD 3.59Å; M576-R603 PolarHBondContact SD-NE 3.14Å; M576-A611 HydrophobicContact CE-CB 3.92Å
577T77.7Confident69.6Low63 Ų6376.5 Ų76.539%0.38743%0.427SS..Hα-helixtrans-61.4-42.5-179.3-53.20000110.9N573 D574 L579 V580 H581N573-T577 PolarHBondContact O-N 3.29Å; N573-T577 PolarHBondContact O-OG1 3.39Å; D574-T577 PolarHBondContact O-N 3.12Å; D574-T577 VanDerWaalsContact O-N 3.13Å; T577-L579 PolarHBondContact O-N 3.18Å; T577-V580 PolarHBondContact O-N 3.38Å; T577-H581 WeakPolarHBondContact O-CB 3.44Å; T577-H581 PolarHBondContact O-N 3.45Å
578L80.6Confident72Confident100 Ų10075.1 Ų75.152%0.52441%0.409SS..Hα-helixtrans-62.6-39.4174.3-171.9154.3000112.2D574 M576 R582D574-L578 WeakPolarHBondContact O-CB 3.4Å; D574-L578 PolarHBondContact O-N 3.25Å; M576-L578 VanDerWaalsContact C-N 3.32Å; M576-L578 PolarHBondContact O-N 3.15Å; L578-R582 VanDerWaalsContact O-CB 3.29Å; L578-R582 WeakPolarHBondContact O-CB 3.36Å; L578-R582 PolarHBondContact O-N 3.37Å
579L81Confident74Confident30 Ų3071.7 Ų71.716%0.15740%0.402CS..Hα-helixtrans-67.6-38.5175.5-79.5171.6000112.8G575 M576 T577 R582 A583 R595 L596 L599G575-L579 WeakPolarHBondContact O-CB 3.23Å; G575-L579 WeakPolarHBondContact O-CG 3.42Å; G575-L579 PolarHBondContact O-N 2.92Å; G575-L579 VanDerWaalsContact O-N 3.16Å; M576-L579 PolarHBondContact O-N 3.31Å; M576-L579 VanDerWaalsContact O-N 3.13Å; T577-L579 PolarHBondContact O-N 3.18Å; L579-R582 PolarHBondContact O-N 3.02Å; L579-A583 PolarHBondContact O-N 2.73Å; L579-R595 HydrophobicContact CD1-CG 4.05Å; L579-L596 HydrophobicContact CB-CD1 4.17Å; L579-L599 HydrophobicContact CD1-CD1 3.83Å
580V81.6Confident75.7Confident4 Ų472.1 Ų72.12%0.02439%0.394CS..Hα-helixtrans-66.8-48.1174.3179.20000110.8M576 T577 R582 A583 T584 L596 F600 A611 V612M576-V580 PolarHBondContact O-N 2.97Å; T577-V580 PolarHBondContact O-N 3.38Å; V580-R582 PolarHBondContact O-N 3.48Å; V580-A583 WeakPolarHBondContact O-CA 3.41Å; V580-A583 WeakPolarHBondContact O-CB 3.39Å; V580-A583 PolarHBondContact O-N 3.41Å; V580-T584 WeakPolarHBondContact O-CG2 3.42Å; V580-T584 PolarHBondContact O-N 3.33Å; V580-T584 VanDerWaalsContact O-N 3.07Å; V580-L596 HydrophobicContact CG2-CD1 3.72Å; V580-L596 HydrophobicContact CG2-CD2 4.19Å; V580-F600 HydrophobicContact CG2-CE1 4.28Å; V580-F600 HydrophobicContact CG2-CZ 4.06Å; V580-A611 VanDerWaalsContact CG1-O 3.25Å; V580-A611 WeakPolarHBondContact CG1-O 3.28Å; V580-A611 HydrophobicContact CG2-CB 4.35Å; V580-V612 HydrophobicContact CG1-CG2 3.93Å
581H82.1Confident77.3Confident131 Ų13167 Ų6761%0.60638%0.383SS*.Hα-helixtrans-58.5-33.6174.5-174.6-64.3000111.9T577 T584 V585T577-H581 WeakPolarHBondContact O-CB 3.44Å; T577-H581 PolarHBondContact O-N 3.45Å; H581-T584 PolarHBondContact O-OG1 2.74Å; H581-V585 WeakPolarHBondContact O-CG2 3.26Å; H581-V585 PolarHBondContact O-N 3.14Å
582R83.2Confident78.3Confident149 Ų14963 Ų6356%0.56236%0.362SS*.Hα-helixtrans-69.8-35173.5-167.5177.3179.4171.6-0112.2L578 L579 V580 T584 V585 V586 L588L578-R582 VanDerWaalsContact O-CB 3.29Å; L578-R582 WeakPolarHBondContact O-CB 3.36Å; L578-R582 PolarHBondContact O-N 3.37Å; L579-R582 PolarHBondContact O-N 3.02Å; V580-R582 PolarHBondContact O-N 3.48Å; R582-T584 VanDerWaalsContact C-N 3.31Å; R582-T584 PolarHBondContact O-N 2.82Å; R582-V585 PolarHBondContact O-N 3.33Å; R582-V586 PolarHBondContact O-N 2.91Å; R582-L588 HydrophobicContact CB-CD2 4.09Å; R582-L588 HydrophobicContact CG-CD2 3.73Å
583A83.6Confident79.3Confident0 Ų060.5 Ų60.50%035%0.351CS..Hα-helixtrans-71.3-21.2176.300000114.2L579 V580 L588 L596 L620 N624 L627L579-A583 PolarHBondContact O-N 2.73Å; V580-A583 WeakPolarHBondContact O-CA 3.41Å; V580-A583 WeakPolarHBondContact O-CB 3.39Å; V580-A583 PolarHBondContact O-N 3.41Å; A583-L588 HydrophobicContact CB-CD1 3.75Å; A583-L588 HydrophobicContact CB-CG 3.91Å; A583-L596 HydrophobicContact CB-CD2 4.39Å; A583-L620 HydrophobicContact CB-CD1 3.88Å; A583-N624 PolarHBondContact O-ND2 3.16Å; A583-L627 HydrophobicContact CB-CD1 4.4Å
584T83.6Confident80.1Confident23 Ų2362.4 Ų62.414%0.14136%0.357CS..THydrogen-bonded Turntrans-90.7-7.3176.860.80000112.8V580 H581 R582 A616 S619 L620 L623V580-T584 WeakPolarHBondContact O-CG2 3.42Å; V580-T584 PolarHBondContact O-N 3.33Å; V580-T584 VanDerWaalsContact O-N 3.07Å; H581-T584 PolarHBondContact O-OG1 2.74Å; R582-T584 VanDerWaalsContact C-N 3.31Å; R582-T584 PolarHBondContact O-N 2.82Å; T584-A616 HydrophobicContact CG2-CB 3.71Å; T584-S619 WeakPolarHBondContact O-CB 3.26Å; T584-L620 HydrophobicContact CG2-CB 4.38Å; T584-L623 WeakPolarHBondContact O-CD1 3.38Å
585V84.5Confident80.7Confident91 Ų9162 Ų6255%0.55235%0.347SS*.THydrogen-bonded Turntrans-113.9-31.8176.9-179.50000112.6H581 R582 L623H581-V585 WeakPolarHBondContact O-CG2 3.26Å; H581-V585 PolarHBondContact O-N 3.14Å; R582-V585 PolarHBondContact O-N 3.33Å; V585-L623 VanDerWaalsContact C-CD1 3.47Å
586V85.3Confident80.9Confident71 Ų7160.5 Ų60.543%0.4333%0.332SS..SBendtrans-139.1148.9-177-165.40000111.7R582 L588 N624R582-V586 PolarHBondContact O-N 2.91Å; V586-L588 PolarHBondContact O-N 2.98Å; V586-N624 PolarHBondContact O-ND2 2.96Å
587T85.5Confident81.1Confident93 Ų9362.7 Ų62.757%0.57134%0.343SS*.  trans-55.9115163.756.80000109.9L623T587-L623 HydrophobicContact CG2-CD2 4.27Å; T587-L623 WeakPolarHBondContact CG2-O 3.5Å
588L82.4Confident81.1Confident13 Ų1364.2 Ų64.27%0.06835%0.346CS..  trans-73.9135.8178-72.7-170.8000110.5R582 A583 V586 Q593 L596 N624 L627R582-L588 HydrophobicContact CB-CD2 4.09Å; R582-L588 HydrophobicContact CG-CD2 3.73Å; A583-L588 HydrophobicContact CB-CD1 3.75Å; A583-L588 HydrophobicContact CB-CG 3.91Å; V586-L588 PolarHBondContact O-N 2.98Å; L588-Q593 HydrophobicContact CB-CG 3.69Å; L588-Q593 PolarHBondContact O-NE2 2.94Å; L588-L596 HydrophobicContact CD1-CD2 4.16Å; L588-N624 PolarHBondContact N-OD1 3.41Å; L588-L627 HydrophobicContact CD1-CD1 4.02Å
589A81.5Confident80.8Confident79 Ų7959.9 Ų59.965%0.65332%0.324SS*.  trans-64.1154.2167.700000111G591 G592 Q593A589-G591 VanDerWaalsContact C-N 3.32Å; A589-G591 PolarHBondContact O-N 2.73Å; A589-G591 VanDerWaalsContact O-N 3.13Å; A589-G592 WeakPolarHBondContact O-CA 3.03Å; A589-G592 PolarHBondContact O-N 3.16Å; A589-Q593 PolarHBondContact O-N 3Å
590M79.4Confident80.5Confident112 Ų11258.5 Ų58.555%0.55232%0.316SS*.Hα-helixtrans-50.7-43.1-171.5-71.9-54.4-51.500114.5G592 Q593 Q594M590-G592 VanDerWaalsContact C-N 3.31Å; M590-G592 PolarHBondContact O-N 3.44Å; M590-Q593 PolarHBondContact O-N 2.91Å; M590-Q594 WeakPolarHBondContact O-CB 3.2Å; M590-Q594 WeakPolarHBondContact O-CG 3.46Å; M590-Q594 PolarHBondContact O-N 2.72Å
591G76.3Confident80Confident47 Ų4764.4 Ų64.449%0.48534%0.344SS..Hα-helixtrans-64.9-32.4177.200000113.6A589 R595A589-G591 VanDerWaalsContact C-N 3.32Å; A589-G591 PolarHBondContact O-N 2.73Å; A589-G591 VanDerWaalsContact O-N 3.13Å; G591-R595 WeakPolarHBondContact O-CB 3.32Å; G591-R595 PolarHBondContact O-N 3.16Å
592G77.5Confident79.3Confident21 Ų2164.3 Ų64.322%0.21634%0.342CS..Hα-helixtrans-71.1-39.8172.500000112.4A589 M590 L596A589-G592 WeakPolarHBondContact O-CA 3.03Å; A589-G592 PolarHBondContact O-N 3.16Å; M590-G592 VanDerWaalsContact C-N 3.31Å; M590-G592 PolarHBondContact O-N 3.44Å; G592-L596 WeakPolarHBondContact O-CB 3.36Å; G592-L596 PolarHBondContact O-N 3.14Å
593Q78.8Confident78.4Confident26 Ų2660.4 Ų60.412%0.12133%0.327CS..Hα-helixtrans-62.2-48.3172.6-61.5-173.28.200111L588 A589 M590 R595 L596 L597 L627L588-Q593 HydrophobicContact CB-CG 3.69Å; L588-Q593 PolarHBondContact O-NE2 2.94Å; A589-Q593 PolarHBondContact O-N 3Å; M590-Q593 PolarHBondContact O-N 2.91Å; Q593-R595 PolarHBondContact O-N 3.4Å; Q593-L596 PolarHBondContact O-N 3.2Å; Q593-L597 WeakPolarHBondContact O-CG 3.2Å; Q593-L597 PolarHBondContact O-N 3.26Å; Q593-L627 HydrophobicContact CB-CD1 4.38Å; Q593-L627 HydrophobicContact CB-CD2 4.19Å; Q593-L627 HydrophobicContact CB-CG 4.44Å; Q593-L627 HydrophobicContact CG-CD1 4.02Å; Q593-L627 HydrophobicContact CG-CG 4.31Å
594Q79.8Confident77.2Confident113 Ų11364.8 Ų64.853%0.52835%0.354SS..Hα-helixtrans-60.7-44.2177.4-74.3173-27.300112.3M590 L596 L597 Q598M590-Q594 WeakPolarHBondContact O-CB 3.2Å; M590-Q594 WeakPolarHBondContact O-CG 3.46Å; M590-Q594 PolarHBondContact O-N 2.72Å; Q594-L596 VanDerWaalsContact C-N 3.34Å; Q594-L596 PolarHBondContact O-N 3.33Å; Q594-L597 PolarHBondContact O-N 3.32Å; Q594-Q598 WeakPolarHBondContact O-CG 3.41Å; Q594-Q598 PolarHBondContact O-N 2.81Å
595R78.8Confident76.1Confident103 Ų10364.6 Ų64.639%0.38935%0.352SS..Hα-helixtrans-64.8-37.8177-17857.4-179.6172.36112.2E572 L579 G591 Q593 L599E572-R595 IonicContact OE1-CZ 3.05Å; E572-R595 IonicContact OE1-NH2 3.12Å; E572-R595 PolarHBondContact OE1-NH2 2.97Å; L579-R595 HydrophobicContact CD1-CG 4.05Å; G591-R595 WeakPolarHBondContact O-CB 3.32Å; G591-R595 PolarHBondContact O-N 3.16Å; Q593-R595 PolarHBondContact O-N 3.4Å; R595-L599 HydrophobicContact CG-CD1 4.24Å; R595-L599 VanDerWaalsContact O-CG 3.29Å; R595-L599 WeakPolarHBondContact O-CG 3.19Å; R595-L599 PolarHBondContact O-N 2.94Å; R595-L599 VanDerWaalsContact O-N 3.09Å
596L80.2Confident74.7Confident1 Ų164.4 Ų64.41%0.00535%0.348CS..Hα-helixtrans-69.7-39.3176.7-177.556.7000111.9M576 L579 V580 A583 L588 G592 Q593 Q594 L599 F600 L627M576-L596 HydrophobicContact CG-CD1 4.37Å; L579-L596 HydrophobicContact CB-CD1 4.17Å; V580-L596 HydrophobicContact CG2-CD1 3.72Å; V580-L596 HydrophobicContact CG2-CD2 4.19Å; A583-L596 HydrophobicContact CB-CD2 4.39Å; L588-L596 HydrophobicContact CD1-CD2 4.16Å; G592-L596 WeakPolarHBondContact O-CB 3.36Å; G592-L596 PolarHBondContact O-N 3.14Å; Q593-L596 PolarHBondContact O-N 3.2Å; Q594-L596 VanDerWaalsContact C-N 3.34Å; Q594-L596 PolarHBondContact O-N 3.33Å; L596-L599 PolarHBondContact O-N 3.07Å; L596-F600 HydrophobicContact CD1-CD2 4.44Å; L596-F600 HydrophobicContact CD1-CE1 4.11Å; L596-F600 HydrophobicContact CD1-CE2 3.91Å; L596-F600 HydrophobicContact CD1-CZ 3.73Å; L596-F600 HydrophobicContact CD2-CE2 4.04Å; L596-F600 HydrophobicContact CD2-CZ 4.16Å; L596-F600 HydrophobicContact CG-CD2 4.14Å; L596-F600 HydrophobicContact CG-CE2 3.55Å; L596-F600 HydrophobicContact CG-CZ 3.84Å; L596-F600 VanDerWaalsContact O-CD2 3.32Å; L596-F600 WeakPolarHBondContact O-CD2 3.26Å; L596-F600 WeakPolarHBondContact O-CG 3.49Å; L596-F600 PolarHBondContact O-N 3.1Å; L596-L627 HydrophobicContact CD2-CD1 4.05Å
597L79Confident73.7Confident46 Ų4661.7 Ų61.724%0.24133%0.334CS..Hα-helixtrans-59.8-46.6171.8-70.7168.7000111.8Q593 Q594 L599 F600 E601 L627 Y630Q593-L597 WeakPolarHBondContact O-CG 3.2Å; Q593-L597 PolarHBondContact O-N 3.26Å; Q594-L597 PolarHBondContact O-N 3.32Å; L597-L599 VanDerWaalsContact C-N 3.25Å; L597-L599 PolarHBondContact O-N 2.88Å; L597-F600 WeakPolarHBondContact O-CB 3.23Å; L597-F600 PolarHBondContact O-N 3.37Å; L597-F600 VanDerWaalsContact O-N 3.09Å; L597-E601 WeakPolarHBondContact O-CG 3.41Å; L597-E601 PolarHBondContact O-N 2.92Å; L597-L627 HydrophobicContact CD1-CD2 4.23Å; L597-L627 HydrophobicContact CD2-CD2 3.87Å; L597-L627 HydrophobicContact CG-CD2 3.76Å; L597-Y630 HydrophobicContact CD2-CD1 3.54Å; L597-Y630 HydrophobicContact CD2-CD2 3.69Å; L597-Y630 HydrophobicContact CD2-CE1 4.01Å; L597-Y630 HydrophobicContact CD2-CE2 4.11Å; L597-Y630 HydrophobicContact CD2-CG 3.38Å
598Q78.5Confident72.7Confident96 Ų9657.3 Ų57.345%0.44931%0.307SS..Hα-helixtrans-59.7-32.3174.4-73.2173.3-5.100113.6Q594 K602Q594-Q598 WeakPolarHBondContact O-CG 3.41Å; Q594-Q598 PolarHBondContact O-N 2.81Å; Q598-K602 WeakPolarHBondContact O-CG 3.48Å; Q598-K602 PolarHBondContact O-N 3.15Å
599L74.2Confident71.6Confident9 Ų959.1 Ų59.15%0.04732%0.316CS..Hα-helixtrans-75.7-32.2176.2-72.5166.2000111.8M576 L579 R595 L596 L597M576-L599 HydrophobicContact CB-CD1 4.15Å; M576-L599 HydrophobicContact CG-CB 4.34Å; M576-L599 HydrophobicContact SD-CB 4.15Å; L579-L599 HydrophobicContact CD1-CD1 3.83Å; R595-L599 HydrophobicContact CG-CD1 4.24Å; R595-L599 VanDerWaalsContact O-CG 3.29Å; R595-L599 WeakPolarHBondContact O-CG 3.19Å; R595-L599 PolarHBondContact O-N 2.94Å; R595-L599 VanDerWaalsContact O-N 3.09Å; L596-L599 PolarHBondContact O-N 3.07Å; L597-L599 VanDerWaalsContact C-N 3.25Å; L597-L599 PolarHBondContact O-N 2.88Å
600F74.4Confident70.7Confident0 Ų059.6 Ų59.60%032%0.315CS..Hα-helixtrans-71.1-43170.6-65.7-43.6000112.5M576 V580 L596 L597 K602 R603 L608 V612 Y630 I631M576-F600 HydrophobicContact CE-CD1 3.51Å; M576-F600 HydrophobicContact CE-CE1 3.5Å; M576-F600 VanDerWaalsContact CE-CE1 3.5Å; V580-F600 HydrophobicContact CG2-CE1 4.28Å; V580-F600 HydrophobicContact CG2-CZ 4.06Å; L596-F600 HydrophobicContact CD1-CD2 4.44Å; L596-F600 HydrophobicContact CD1-CE1 4.11Å; L596-F600 HydrophobicContact CD1-CE2 3.91Å; L596-F600 HydrophobicContact CD1-CZ 3.73Å; L596-F600 HydrophobicContact CD2-CE2 4.04Å; L596-F600 HydrophobicContact CD2-CZ 4.16Å; L596-F600 HydrophobicContact CG-CD2 4.14Å; L596-F600 HydrophobicContact CG-CE2 3.55Å; L596-F600 HydrophobicContact CG-CZ 3.84Å; L596-F600 VanDerWaalsContact O-CD2 3.32Å; L596-F600 WeakPolarHBondContact O-CD2 3.26Å; L596-F600 WeakPolarHBondContact O-CG 3.49Å; L596-F600 PolarHBondContact O-N 3.1Å; L597-F600 WeakPolarHBondContact O-CB 3.23Å; L597-F600 PolarHBondContact O-N 3.37Å; L597-F600 VanDerWaalsContact O-N 3.09Å; F600-K602 PolarHBondContact O-N 3.12Å; F600-K602 VanDerWaalsContact O-N 3.15Å; F600-R603 PolarHBondContact O-N 3.27Å; F600-L608 HydrophobicContact CB-CD1 3.77Å; F600-L608 HydrophobicContact CD1-CD1 3.28Å; F600-L608 HydrophobicContact CD1-CG 3.97Å; F600-L608 HydrophobicContact CE1-CD1 3.93Å; F600-L608 HydrophobicContact CE1-CG 4.11Å; F600-L608 HydrophobicContact CG-CD1 3.68Å; F600-V612 HydrophobicContact CZ-CG2 4.45Å; F600-Y630 HydrophobicContact CB-CE1 3.72Å; F600-Y630 HydrophobicContact CD2-CD1 4.06Å; F600-Y630 AromaticContact CD2-CE1 3.99Å; F600-Y630 HydrophobicContact CD2-CE1 3.99Å; F600-Y630 HydrophobicContact CG-CE1 4.23Å; F600-I631 HydrophobicContact CD2-CG1 4.28Å; F600-I631 HydrophobicContact CE2-CD1 3.56Å; F600-I631 HydrophobicContact CE2-CG1 3.57Å; F600-I631 HydrophobicContact CZ-CD1 3.58Å; F600-I631 HydrophobicContact CZ-CG1 3.75Å
601E71.3Confident70.1Confident129 Ų12955 Ų5560%0.60330%0.295SS*.Hα-helixtrans-57.2-27.7176.5-74170170.500113L597L597-E601 WeakPolarHBondContact O-CG 3.41Å; L597-E601 PolarHBondContact O-N 2.92Å
602K68.5Low70Confident129 Ų12952.8 Ų52.856%0.56127%0.272SS*.THydrogen-bonded Turntrans-79.5-11.8176-81.2178.1163-163.80114.9E572 Q598 F600E572-K602 VanDerWaalsContact CD-NZ 3.34Å; E572-K602 IonicContact OE1-NZ 3.47Å; E572-K602 PolarHBondContact OE1-NZ 3.09Å; E572-K602 IonicContact OE2-NZ 3.6Å; E572-K602 PolarHBondContact OE2-NZ 3.3Å; Q598-K602 WeakPolarHBondContact O-CG 3.48Å; Q598-K602 PolarHBondContact O-N 3.15Å; F600-K602 PolarHBondContact O-N 3.12Å; F600-K602 VanDerWaalsContact O-N 3.15Å
603R63.8Low70Confident66 Ų6657.2 Ų57.225%0.24929%0.29CS..SBendtrans-113.3150.7-169.5-76.5-165.7177.2-166.2-2.1113.6N573 M576 F600 G607N573-R603 PolarHBondContact OD1-NH1 3.17Å; N573-R603 VanDerWaalsContact OD1-NH1 3.08Å; N573-R603 PolarHBondContact OD1-NH2 3.08Å; M576-R603 VanDerWaalsContact SD-CD 3.59Å; M576-R603 PolarHBondContact SD-NE 3.14Å; F600-R603 PolarHBondContact O-N 3.27Å; R603-G607 PolarHBondContact NH1-O 2.79Å
604T58.3Low70Confident92 Ų9259.4 Ų59.456%0.56430%0.301SS*.  trans-69.7152.9160.557.30000110.2D606 G607T604-D606 PolarHBondContact O-N 2.84Å; T604-G607 PolarHBondContact O-N 3.38Å
605D59.7Low70Confident19 Ų1960.1 Ų60.110%0.10231%0.308CS..THydrogen-bonded Turntrans-62.3-20.6-173.1-49.3-73.9000113.6G607 L608 I609 R634 A638D605-G607 VanDerWaalsContact C-N 3.31Å; D605-G607 PolarHBondContact O-N 3.3Å; D605-L608 VanDerWaalsContact O-CB 3.26Å; D605-L608 WeakPolarHBondContact O-CB 3.48Å; D605-L608 PolarHBondContact O-N 3.18Å; D605-L608 VanDerWaalsContact O-N 3.15Å; D605-I609 PolarHBondContact O-N 2.87Å; D605-R634 WeakPolarHBondContact OD1-CD 3.31Å; D605-R634 IonicContact OD1-NH1 3.83Å; D605-A638 HydrophobicContact CB-CB 3.67Å
606D56.8Low70.2Confident88 Ų8856.4 Ų56.447%0.47130%0.299SS..Hα-helixtrans-53.2-46.9168.8-58.6-65.5000112.2T604 L608 I609 S610 R640T604-D606 PolarHBondContact O-N 2.84Å; D606-L608 PolarHBondContact O-N 2.86Å; D606-I609 PolarHBondContact O-N 3.43Å; D606-S610 PolarHBondContact O-N 2.83Å; D606-R640 IonicContact OD1-CZ 3.33Å; D606-R640 IonicContact OD1-NH1 3.7Å; D606-R640 PolarHBondContact OD1-NH1 3.06Å; D606-R640 IonicContact OD1-NH2 3.14Å; D606-R640 PolarHBondContact OD1-NH2 3.36Å
607G63.2Low70.7Confident13 Ų1356.3 Ų56.313%0.13430%0.299CS..Hα-helixtrans-79.8-2.5-179.400000114.5R603 T604 D605R603-G607 PolarHBondContact NH1-O 2.79Å; T604-G607 PolarHBondContact O-N 3.38Å; D605-G607 VanDerWaalsContact C-N 3.31Å; D605-G607 PolarHBondContact O-N 3.3Å
608L63.8Low71.2Confident2 Ų256.9 Ų56.91%0.0130%0.3CS..Hα-helixtrans-86.7-45.4170.4-146.7104.6000109.9F600 D605 D606 A611 V612 I631 R634 L635F600-L608 HydrophobicContact CB-CD1 3.77Å; F600-L608 HydrophobicContact CD1-CD1 3.28Å; F600-L608 HydrophobicContact CD1-CG 3.97Å; F600-L608 HydrophobicContact CE1-CD1 3.93Å; F600-L608 HydrophobicContact CE1-CG 4.11Å; F600-L608 HydrophobicContact CG-CD1 3.68Å; D605-L608 VanDerWaalsContact O-CB 3.26Å; D605-L608 WeakPolarHBondContact O-CB 3.48Å; D605-L608 PolarHBondContact O-N 3.18Å; D605-L608 VanDerWaalsContact O-N 3.15Å; D606-L608 PolarHBondContact O-N 2.86Å; L608-A611 PolarHBondContact O-N 2.7Å; L608-A611 VanDerWaalsContact O-N 3.12Å; L608-V612 PolarHBondContact O-N 3.24Å; L608-I631 HydrophobicContact CD2-CG2 4.12Å; L608-R634 HydrophobicContact CD2-CB 3.62Å; L608-R634 HydrophobicContact CD2-CG 4.29Å; L608-L635 HydrophobicContact CD2-CD2 4.45Å; L608-L635 HydrophobicContact CD2-CG 4.31Å
609I60.5Low71.7Confident50 Ų5054.6 Ų54.626%0.25630%0.295SS..Hα-helixtrans-69.5-35.6-178.5-69.9161.7000111.5D605 D606 A611 L635 R640D605-I609 PolarHBondContact O-N 2.87Å; D606-I609 PolarHBondContact O-N 3.43Å; I609-A611 PolarHBondContact O-N 2.7Å; I609-L635 HydrophobicContact CD1-CD2 3.87Å; I609-L635 HydrophobicContact CG1-CD2 3.3Å; I609-R640 HydrophobicContact CD1-CB 3.71Å; I609-R640 HydrophobicContact CD1-CG 4.08Å
610S62.8Low72.5Confident89 Ų8954.2 Ų54.262%0.62229%0.293SS*.THydrogen-bonded Turntrans-69.7-5172.770.50000114.2D606D606-S610 PolarHBondContact O-N 2.83Å
611A65.9Low73.4Confident16 Ų1654.2 Ų54.213%0.13229%0.293CS..THydrogen-bonded Turntrans-113.5-26.5-176.600000113.5M576 V580 L608 I609M576-A611 HydrophobicContact CE-CB 3.92Å; V580-A611 VanDerWaalsContact CG1-O 3.25Å; V580-A611 WeakPolarHBondContact CG1-O 3.28Å; V580-A611 HydrophobicContact CG2-CB 4.35Å; L608-A611 PolarHBondContact O-N 2.7Å; L608-A611 VanDerWaalsContact O-N 3.12Å; I609-A611 PolarHBondContact O-N 2.7Å
612V74.5Confident74.3Confident1 Ų151.2 Ų51.21%0.00628%0.281CS..SBendtrans-116.988.9-177-172.40000110.5V580 F600 L608 F617 L620 I631 Y644V580-V612 HydrophobicContact CG1-CG2 3.93Å; F600-V612 HydrophobicContact CZ-CG2 4.45Å; L608-V612 PolarHBondContact O-N 3.24Å; V612-F617 HydrophobicContact CG1-CD2 4.24Å; V612-L620 HydrophobicContact CG1-CD2 4.15Å; V612-I631 HydrophobicContact CB-CG2 4.49Å; V612-I631 HydrophobicContact CG1-CG2 4.31Å; V612-I631 HydrophobicContact CG2-CD1 4.12Å; V612-I631 HydrophobicContact CG2-CG2 4.21Å; V612-Y644 PolarHBondContact O-OH 3.08Å
613D76.2Confident75.3Confident113 Ų11347.6 Ų47.660%0.60427%0.268SS*.  trans-57.6141.3174.4-78.6-25.4000112.3N615 A616 F617D613-N615 PolarHBondContact O-N 2.84Å; D613-A616 HydrophobicContact CB-CB 4.24Å; D613-A616 PolarHBondContact O-N 2.97Å; D613-F617 PolarHBondContact O-N 2.94Å; D613-F617 VanDerWaalsContact O-N 3.11Å
614E80.4Confident76.5Confident73 Ų7344.6 Ų44.634%0.34126%0.257SS..THydrogen-bonded Turntrans-52.3-38.2175.7-61.3157.4-134.700112.1K643 R647E614-K643 HydrophobicContact CG-CB 4.16Å; E614-K643 HydrophobicContact CG-CD 4.2Å; E614-K643 WeakPolarHBondContact OE1-CD 3.4Å; E614-K643 WeakPolarHBondContact OE1-CE 3.46Å; E614-K643 IonicContact OE1-NZ 2.7Å; E614-K643 PolarHBondContact OE1-NZ 2.9Å; E614-K643 VanDerWaalsContact OE2-CD 3.26Å; E614-K643 WeakPolarHBondContact OE2-CD 3.38Å; E614-K643 IonicContact OE2-NZ 3.25Å; E614-R647 WeakPolarHBondContact O-CD 3.36Å; E614-R647 WeakPolarHBondContact O-CG 3.42Å; E614-R647 PolarHBondContact O-NE 3.04Å; E614-R647 VanDerWaalsContact O-NE 3.08Å
615N78.2Confident77.9Confident127 Ų12741.7 Ų41.768%0.67924%0.239SC*.THydrogen-bonded Turntrans-66.4-38.6177.4-69.4-36.4000112.5D613 R647D613-N615 PolarHBondContact O-N 2.84Å; N615-R647 PolarHBondContact O-NH2 3.31Å
616A84.8Confident79.2Confident25 Ų2545.2 Ų45.221%0.20726%0.257CS..THydrogen-bonded Turntrans-82.5-16.1-17500000113.4T584 D613 E618 S619 L620T584-A616 HydrophobicContact CG2-CB 3.71Å; D613-A616 HydrophobicContact CB-CB 4.24Å; D613-A616 PolarHBondContact O-N 2.97Å; A616-E618 VanDerWaalsContact C-N 3.26Å; A616-E618 PolarHBondContact O-N 3.16Å; A616-S619 PolarHBondContact O-N 3.28Å; A616-L620 PolarHBondContact O-N 2.88Å
617F89.2Confident80.6Confident0 Ų041 Ų410%024%0.235CC..Hα-helixtrans-59.7-32.3177.6-169.7-115.9000113.4V612 D613 L620 I621 I631 F632 Y644 V648V612-F617 HydrophobicContact CG1-CD2 4.24Å; D613-F617 PolarHBondContact O-N 2.94Å; D613-F617 VanDerWaalsContact O-N 3.11Å; F617-L620 HydrophobicContact CD2-CD2 4Å; F617-L620 HydrophobicContact CE2-CD2 4.36Å; F617-L620 WeakPolarHBondContact O-CB 3.47Å; F617-L620 PolarHBondContact O-N 3.43Å; F617-I621 HydrophobicContact CD1-CD1 3.82Å; F617-I621 HydrophobicContact CE1-CD1 3.53Å; F617-I621 HydrophobicContact CE1-CG1 4.34Å; F617-I621 HydrophobicContact CZ-CD1 4.03Å; F617-I621 HydrophobicContact CZ-CG1 4.42Å; F617-I621 WeakPolarHBondContact O-CG1 3.39Å; F617-I621 PolarHBondContact O-N 2.98Å; F617-I631 HydrophobicContact CE2-CG2 4.32Å; F617-F632 HydrophobicContact CE1-CD1 4.49Å; F617-F632 HydrophobicContact CE2-CB 4.4Å; F617-F632 HydrophobicContact CZ-CB 3.91Å; F617-F632 AromaticContact CZ-CD1 3.98Å; F617-F632 HydrophobicContact CZ-CD1 3.98Å; F617-F632 HydrophobicContact CZ-CD2 4.2Å; F617-F632 AromaticContact CZ-CG 3.8Å; F617-F632 HydrophobicContact CZ-CG 3.8Å; F617-Y644 HydrophobicContact CB-CD1 4.15Å; F617-Y644 HydrophobicContact CB-CE1 4.34Å; F617-Y644 AromaticContact CD1-CD1 3.85Å; F617-Y644 HydrophobicContact CD1-CD1 3.85Å; F617-Y644 AromaticContact CD2-CD1 3.88Å; F617-Y644 HydrophobicContact CD2-CD1 3.88Å; F617-Y644 HydrophobicContact CD2-CE1 4.2Å; F617-Y644 HydrophobicContact CE1-CD1 4.15Å; F617-Y644 HydrophobicContact CE2-CD1 4.2Å; F617-Y644 AromaticContact CG-CD1 3.7Å; F617-Y644 HydrophobicContact CG-CD1 3.7Å; F617-Y644 HydrophobicContact CG-CE1 4.22Å; F617-Y644 HydrophobicContact CZ-CD1 4.33Å; F617-V648 HydrophobicContact CD1-CG2 4.38Å; F617-V648 HydrophobicContact CE1-CG2 3.79Å
618E90.5Very high81.9Confident57 Ų5740.4 Ų40.427%0.26623%0.229SC..Hα-helixtrans-62.6-49.5173.4164.5154.8-133.900112.4A616 L620 I621 N622 R647 M651A616-E618 VanDerWaalsContact C-N 3.26Å; A616-E618 PolarHBondContact O-N 3.16Å; E618-L620 VanDerWaalsContact C-N 3.28Å; E618-L620 PolarHBondContact O-N 2.91Å; E618-I621 PolarHBondContact O-N 3.45Å; E618-N622 PolarHBondContact O-N 2.94Å; E618-N622 PolarHBondContact O-ND2 2.9Å; E618-N622 VanDerWaalsContact O-ND2 3.14Å; E618-R647 VanDerWaalsContact CB-NH2 3.31Å; E618-R647 IonicContact OE2-CZ 3.39Å; E618-R647 IonicContact OE2-NH1 2.74Å; E618-R647 PolarHBondContact OE2-NH1 2.86Å; E618-R647 IonicContact OE2-NH2 4Å; E618-R647 PolarHBondContact OE2-NH2 3.38Å; E618-M651 HydrophobicContact CB-CE 3.94Å; E618-M651 HydrophobicContact CB-CG 3.99Å; E618-M651 HydrophobicContact CB-SD 3.79Å; E618-M651 HydrophobicContact CG-CE 3.93Å; E618-M651 HydrophobicContact CG-CG 4.08Å; E618-M651 HydrophobicContact CG-SD 4.28Å
619S89.6Confident83.1Confident49 Ų4941.4 Ų41.434%0.34324%0.235SC..Hα-helixtrans-63.2-37.9176.2-49.50000111.3T584 A616 N622 L623T584-S619 WeakPolarHBondContact O-CB 3.26Å; A616-S619 PolarHBondContact O-N 3.28Å; S619-N622 PolarHBondContact O-N 3.37Å; S619-L623 VanDerWaalsContact O-CB 3.29Å; S619-L623 WeakPolarHBondContact O-CB 3.48Å; S619-L623 VanDerWaalsContact O-CG 3.31Å; S619-L623 WeakPolarHBondContact O-CG 3.36Å; S619-L623 PolarHBondContact O-N 3.44Å
620L90.6Very high84.3Confident0 Ų041.6 Ų41.60%023%0.233CC..Hα-helixtrans-62.5-44.7175.9-176.976.8000112.4A583 T584 V612 A616 F617 E618 N622 N624 L627 A628 I631A583-L620 HydrophobicContact CB-CD1 3.88Å; T584-L620 HydrophobicContact CG2-CB 4.38Å; V612-L620 HydrophobicContact CG1-CD2 4.15Å; A616-L620 PolarHBondContact O-N 2.88Å; F617-L620 HydrophobicContact CD2-CD2 4Å; F617-L620 HydrophobicContact CE2-CD2 4.36Å; F617-L620 WeakPolarHBondContact O-CB 3.47Å; F617-L620 PolarHBondContact O-N 3.43Å; E618-L620 VanDerWaalsContact C-N 3.28Å; E618-L620 PolarHBondContact O-N 2.91Å; L620-N622 VanDerWaalsContact C-N 3.32Å; L620-N622 PolarHBondContact O-N 3.26Å; L620-N624 HydrophobicContact CD1-CB 4.27Å; L620-N624 CarbonylContact O-C 3.2Å; L620-N624 WeakPolarHBondContact O-CA 3.25Å; L620-N624 PolarHBondContact O-N 3.26Å; L620-L627 HydrophobicContact CD1-CB 4.4Å; L620-A628 HydrophobicContact CD2-CB 4.22Å; L620-A628 HydrophobicContact CG-CB 4.18Å; L620-I631 HydrophobicContact CD1-CD1 4.5Å; L620-I631 HydrophobicContact CD2-CD1 3.55Å
621I92Very high85.4Confident1 Ų137.4 Ų37.41%0.00520%0.204CC..Hα-helixtrans-59.6-44.5173.7-76.3168.2000110.6F617 E618 P625 A628 V648 M651 N656 V657 V660F617-I621 HydrophobicContact CD1-CD1 3.82Å; F617-I621 HydrophobicContact CE1-CD1 3.53Å; F617-I621 HydrophobicContact CE1-CG1 4.34Å; F617-I621 HydrophobicContact CZ-CD1 4.03Å; F617-I621 HydrophobicContact CZ-CG1 4.42Å; F617-I621 WeakPolarHBondContact O-CG1 3.39Å; F617-I621 PolarHBondContact O-N 2.98Å; E618-I621 PolarHBondContact O-N 3.45Å; I621-P625 WeakPolarHBondContact O-CD 3.06Å; I621-A628 HydrophobicContact CB-CB 4.34Å; I621-A628 HydrophobicContact CG1-CB 3.62Å; I621-V648 HydrophobicContact CD1-CG2 4.03Å; I621-M651 HydrophobicContact CB-CE 3.98Å; I621-M651 HydrophobicContact CD1-CE 3.8Å; I621-M651 HydrophobicContact CD1-SD 3.89Å; I621-M651 HydrophobicContact CG1-CE 4.48Å; I621-M651 HydrophobicContact CG2-CE 3.94Å; I621-N656 HydrophobicContact CG2-CB 4.08Å; I621-V657 HydrophobicContact CG2-CG2 3.93Å; I621-V660 HydrophobicContact CG1-CG1 4.41Å; I621-V660 HydrophobicContact CG1-CG2 4.37Å; I621-V660 HydrophobicContact CG2-CG2 4.16Å
622N90.3Very high86.5Confident65 Ų6536.7 Ų36.735%0.34820%0.197SC..Hα-helixtrans-75.9-28.3-174.2-74.8-45.4000114E618 S619 L620 S654 N656E618-N622 PolarHBondContact O-N 2.94Å; E618-N622 PolarHBondContact O-ND2 2.9Å; E618-N622 VanDerWaalsContact O-ND2 3.14Å; S619-N622 PolarHBondContact O-N 3.37Å; L620-N622 VanDerWaalsContact C-N 3.32Å; L620-N622 PolarHBondContact O-N 3.26Å; N622-S654 PolarHBondContact OD1-OG 3.13Å; N622-N656 PolarHBondContact O-ND2 2.95Å
623L89.4Confident87Confident53 Ų5337.6 Ų37.628%0.27720%0.204SC..Hα-helixtrans-99.4-35.7-179.6-65.8166.6000113.7T584 V585 T587 S619T584-L623 WeakPolarHBondContact O-CD1 3.38Å; V585-L623 VanDerWaalsContact C-CD1 3.47Å; T587-L623 HydrophobicContact CG2-CD2 4.27Å; T587-L623 WeakPolarHBondContact CG2-O 3.5Å; S619-L623 VanDerWaalsContact O-CB 3.29Å; S619-L623 WeakPolarHBondContact O-CB 3.48Å; S619-L623 VanDerWaalsContact O-CG 3.31Å; S619-L623 WeakPolarHBondContact O-CG 3.36Å; S619-L623 PolarHBondContact O-N 3.44Å
624N89.5Confident87.3Confident4 Ų434 Ų342%0.02118%0.182CC..  trans-139.159.4-170.2-68.4-77.3000111.6A583 V586 L588 L620 L626 L627 A628A583-N624 PolarHBondContact O-ND2 3.16Å; V586-N624 PolarHBondContact O-ND2 2.96Å; L588-N624 PolarHBondContact N-OD1 3.41Å; L620-N624 HydrophobicContact CD1-CB 4.27Å; L620-N624 CarbonylContact O-C 3.2Å; L620-N624 WeakPolarHBondContact O-CA 3.25Å; L620-N624 PolarHBondContact O-N 3.26Å; N624-L626 PolarHBondContact O-N 3.02Å; N624-L627 HydrophobicContact CB-CB 4.17Å; N624-L627 HydrophobicContact CB-CD1 4Å; N624-L627 HydrophobicContact CB-CG 4.35Å; N624-L627 WeakPolarHBondContact O-CB 3.28Å; N624-L627 PolarHBondContact O-N 2.73Å; N624-A628 PolarHBondContact O-N 3.22Å
625P88.7Confident87.5Confident31 Ų3130.6 Ų30.620%0.20117%0.166CC..Hα-helixtrans-58.2-28.5-171.720.7-32.7000114.4I621 A628 V629 V660I621-P625 WeakPolarHBondContact O-CD 3.06Å; P625-A628 PolarHBondContact O-N 3.3Å; P625-V629 WeakPolarHBondContact O-CG2 3.4Å; P625-V629 PolarHBondContact O-N 2.78Å; P625-V660 HydrophobicContact CB-CG2 3.74Å
626L85.9Confident87.9Confident92 Ų9225.6 Ų25.648%0.48214%0.14SC..Hα-helixtrans-66.4-40.4174.1-62.5-179.8000112.7N624 Y630 R663N624-L626 PolarHBondContact O-N 3.02Å; L626-Y630 PolarHBondContact O-N 3.24Å; L626-R663 VanDerWaalsContact CD2-NH1 3.29Å
627L87Confident87.7Confident1 Ų127 Ų271%0.00515%0.148CC..Hα-helixtrans-69.9-39.3173.8-67.6177.2000110.5A583 L588 Q593 L596 L597 L620 N624 V629 Y630 I631A583-L627 HydrophobicContact CB-CD1 4.4Å; L588-L627 HydrophobicContact CD1-CD1 4.02Å; Q593-L627 HydrophobicContact CB-CD1 4.38Å; Q593-L627 HydrophobicContact CB-CD2 4.19Å; Q593-L627 HydrophobicContact CB-CG 4.44Å; Q593-L627 HydrophobicContact CG-CD1 4.02Å; Q593-L627 HydrophobicContact CG-CG 4.31Å; L596-L627 HydrophobicContact CD2-CD1 4.05Å; L597-L627 HydrophobicContact CD1-CD2 4.23Å; L597-L627 HydrophobicContact CD2-CD2 3.87Å; L597-L627 HydrophobicContact CG-CD2 3.76Å; L620-L627 HydrophobicContact CD1-CB 4.4Å; N624-L627 HydrophobicContact CB-CB 4.17Å; N624-L627 HydrophobicContact CB-CD1 4Å; N624-L627 HydrophobicContact CB-CG 4.35Å; N624-L627 WeakPolarHBondContact O-CB 3.28Å; N624-L627 PolarHBondContact O-N 2.73Å; L627-V629 PolarHBondContact O-N 2.88Å; L627-Y630 PolarHBondContact O-N 2.96Å; L627-I631 HydrophobicContact CB-CD1 4.5Å; L627-I631 WeakPolarHBondContact O-CB 3.48Å; L627-I631 WeakPolarHBondContact O-CD1 3.49Å; L627-I631 WeakPolarHBondContact O-CG1 3.32Å; L627-I631 PolarHBondContact O-N 2.96Å
628A89.4Confident87.1Confident0 Ų027.7 Ų27.70%015%0.154CC..Hα-helixtrans-58.9-44.317500000112L620 I621 N624 P625 Y630 I631 F632 V660L620-A628 HydrophobicContact CD2-CB 4.22Å; L620-A628 HydrophobicContact CG-CB 4.18Å; I621-A628 HydrophobicContact CB-CB 4.34Å; I621-A628 HydrophobicContact CG1-CB 3.62Å; N624-A628 PolarHBondContact O-N 3.22Å; P625-A628 PolarHBondContact O-N 3.3Å; A628-Y630 PolarHBondContact O-N 3.05Å; A628-I631 PolarHBondContact O-N 2.74Å; A628-F632 WeakPolarHBondContact O-CB 3.48Å; A628-F632 PolarHBondContact O-N 2.94Å; A628-V660 HydrophobicContact CB-CG2 4.24Å
629V89Confident86.7Confident23 Ų2326.2 Ų26.214%0.13915%0.153CC..Hα-helixtrans-58.2-48.5173.31700000111.5P625 L627 F632 C633 V660 R663 V664P625-V629 WeakPolarHBondContact O-CG2 3.4Å; P625-V629 PolarHBondContact O-N 2.78Å; L627-V629 PolarHBondContact O-N 2.88Å; V629-F632 PolarHBondContact O-N 2.75Å; V629-C633 WeakPolarHBondContact O-CB 3.34Å; V629-C633 PolarHBondContact O-N 3.26Å; V629-C633 PolarHBondContact O-SG 3.19Å; V629-V660 HydrophobicContact CG2-CB 4.17Å; V629-V660 HydrophobicContact CG2-CG1 4.04Å; V629-V660 HydrophobicContact CG2-CG2 4.06Å; V629-R663 HydrophobicContact CG1-CB 4.12Å; V629-R663 HydrophobicContact CG2-CB 3.76Å; V629-R663 HydrophobicContact CG2-CG 4.48Å; V629-V664 HydrophobicContact CG1-CG2 4.16Å; V629-V664 HydrophobicContact CG2-CG2 4.43Å
630Y85.9Confident86.3Confident54 Ų5429 Ų2921%0.21216%0.157CC..Hα-helixtrans-61.3-47.8-179.3179.7-86.5000112.1L597 F600 L626 L627 A628 C633 R634L597-Y630 HydrophobicContact CD2-CD1 3.54Å; L597-Y630 HydrophobicContact CD2-CD2 3.69Å; L597-Y630 HydrophobicContact CD2-CE1 4.01Å; L597-Y630 HydrophobicContact CD2-CE2 4.11Å; L597-Y630 HydrophobicContact CD2-CG 3.38Å; F600-Y630 HydrophobicContact CB-CE1 3.72Å; F600-Y630 HydrophobicContact CD2-CD1 4.06Å; F600-Y630 AromaticContact CD2-CE1 3.99Å; F600-Y630 HydrophobicContact CD2-CE1 3.99Å; F600-Y630 HydrophobicContact CG-CE1 4.23Å; L626-Y630 PolarHBondContact O-N 3.24Å; L627-Y630 PolarHBondContact O-N 2.96Å; A628-Y630 PolarHBondContact O-N 3.05Å; Y630-C633 PolarHBondContact O-N 3.22Å; Y630-R634 HydrophobicContact CD1-CG 4.31Å; Y630-R634 HydrophobicContact CE1-CG 3.82Å; Y630-R634 PolarHBondContact O-N 3.43Å; Y630-R634 PolarHBondContact OH-NE 3.15Å
631I85.4Confident86.2Confident1 Ų129.1 Ų29.11%0.00516%0.157CC..Hα-helixtrans-63.8-43.7178.3-71.9156.9000110.7F600 L608 V612 F617 L620 L627 A628 R634 L635F600-I631 HydrophobicContact CD2-CG1 4.28Å; F600-I631 HydrophobicContact CE2-CD1 3.56Å; F600-I631 HydrophobicContact CE2-CG1 3.57Å; F600-I631 HydrophobicContact CZ-CD1 3.58Å; F600-I631 HydrophobicContact CZ-CG1 3.75Å; L608-I631 HydrophobicContact CD2-CG2 4.12Å; V612-I631 HydrophobicContact CB-CG2 4.49Å; V612-I631 HydrophobicContact CG1-CG2 4.31Å; V612-I631 HydrophobicContact CG2-CD1 4.12Å; V612-I631 HydrophobicContact CG2-CG2 4.21Å; F617-I631 HydrophobicContact CE2-CG2 4.32Å; L620-I631 HydrophobicContact CD1-CD1 4.5Å; L620-I631 HydrophobicContact CD2-CD1 3.55Å; L627-I631 HydrophobicContact CB-CD1 4.5Å; L627-I631 WeakPolarHBondContact O-CB 3.48Å; L627-I631 WeakPolarHBondContact O-CD1 3.49Å; L627-I631 WeakPolarHBondContact O-CG1 3.32Å; L627-I631 PolarHBondContact O-N 2.96Å; A628-I631 PolarHBondContact O-N 2.74Å; I631-R634 WeakPolarHBondContact O-CB 3.46Å; I631-R634 PolarHBondContact O-N 3.18Å; I631-L635 HydrophobicContact CG2-CD1 3.68Å; I631-L635 HydrophobicContact CG2-CG 4.34Å; I631-L635 WeakPolarHBondContact O-CD1 3.2Å; I631-L635 WeakPolarHBondContact O-CG 3.49Å; I631-L635 PolarHBondContact O-N 3.03Å
632F89.3Confident86Confident0 Ų035.6 Ų35.60%019%0.188CC..Hα-helixtrans-63.9-45178.9-158.7-178.2000110.8F617 A628 V629 R634 L635 V636 A641 Y645 V648 V660 V664 M670F617-F632 HydrophobicContact CE1-CD1 4.49Å; F617-F632 HydrophobicContact CE2-CB 4.4Å; F617-F632 HydrophobicContact CZ-CB 3.91Å; F617-F632 AromaticContact CZ-CD1 3.98Å; F617-F632 HydrophobicContact CZ-CD1 3.98Å; F617-F632 HydrophobicContact CZ-CD2 4.2Å; F617-F632 AromaticContact CZ-CG 3.8Å; F617-F632 HydrophobicContact CZ-CG 3.8Å; A628-F632 WeakPolarHBondContact O-CB 3.48Å; A628-F632 PolarHBondContact O-N 2.94Å; V629-F632 PolarHBondContact O-N 2.75Å; F632-R634 PolarHBondContact O-N 3.37Å; F632-L635 PolarHBondContact O-N 3.28Å; F632-L635 VanDerWaalsContact O-N 3.16Å; F632-V636 HydrophobicContact CD2-CG2 3.89Å; F632-V636 HydrophobicContact CE2-CG2 4.08Å; F632-V636 VanDerWaalsContact O-CG2 3.26Å; F632-V636 WeakPolarHBondContact O-CG2 3.35Å; F632-V636 PolarHBondContact O-N 3.13Å; F632-A641 HydrophobicContact CD2-CB 4.48Å; F632-A641 HydrophobicContact CE2-CB 4.19Å; F632-Y645 AromaticContact CE2-CD1 3.79Å; F632-Y645 HydrophobicContact CE2-CD1 3.79Å; F632-Y645 AromaticContact CE2-CE1 3.77Å; F632-Y645 HydrophobicContact CE2-CE1 3.77Å; F632-Y645 AromaticContact CZ-CD1 3.73Å; F632-Y645 HydrophobicContact CZ-CD1 3.73Å; F632-Y645 AromaticContact CZ-CE1 3.95Å; F632-Y645 HydrophobicContact CZ-CE1 3.95Å; F632-V648 HydrophobicContact CE1-CG2 4.17Å; F632-V648 HydrophobicContact CZ-CG2 4.27Å; F632-V660 HydrophobicContact CD1-CG1 4.05Å; F632-V664 HydrophobicContact CB-CG2 4.08Å; F632-V664 HydrophobicContact CD1-CG2 3.84Å; F632-V664 HydrophobicContact CG-CG2 4.2Å; F632-M670 HydrophobicContact CE1-SD 4.41Å; F632-M670 HydrophobicContact CZ-SD 4.23Å
633C86.1Confident85.9Confident21 Ų2138.4 Ų38.414%0.14220%0.197CC..Hα-helixtrans-55.1-48.4173.5-75.20000112.2V629 Y630 L635 V636 S637 M668V629-C633 WeakPolarHBondContact O-CB 3.34Å; V629-C633 PolarHBondContact O-N 3.26Å; V629-C633 PolarHBondContact O-SG 3.19Å; Y630-C633 PolarHBondContact O-N 3.22Å; C633-L635 PolarHBondContact O-N 3.25Å; C633-V636 PolarHBondContact O-N 2.89Å; C633-S637 PolarHBondContact O-N 3.34Å; C633-M668 HydrophobicContact CB-CE 3.58Å; C633-M668 HydrophobicContact CB-SD 4.04Å; C633-M668 WeakPolarHBondContact O-CE 3.38Å
634R82.2Confident86Confident38 Ų3836.2 Ų36.214%0.14319%0.185CC..Hα-helixtrans-54.8-50174.2-79.1-85.9172-152-14.8111.9E235 D605 L608 Y630 I631 F632 V636 S637 A638E235-R634 IonicContact OE1-CZ 2.88Å; E235-R634 IonicContact OE1-NH1 3.42Å; E235-R634 IonicContact OE1-NH2 3.27Å; E235-R634 PolarHBondContact OE1-NH2 2.95Å; E235-R634 IonicContact OE2-CZ 2.67Å; E235-R634 IonicContact OE2-NH1 2.71Å; E235-R634 PolarHBondContact OE2-NH1 3.42Å; E235-R634 IonicContact OE2-NH2 3.63Å; E235-R634 PolarHBondContact OE2-NH2 3.05Å; D605-R634 WeakPolarHBondContact OD1-CD 3.31Å; D605-R634 IonicContact OD1-NH1 3.83Å; L608-R634 HydrophobicContact CD2-CB 3.62Å; L608-R634 HydrophobicContact CD2-CG 4.29Å; Y630-R634 HydrophobicContact CD1-CG 4.31Å; Y630-R634 HydrophobicContact CE1-CG 3.82Å; Y630-R634 PolarHBondContact O-N 3.43Å; Y630-R634 PolarHBondContact OH-NE 3.15Å; I631-R634 WeakPolarHBondContact O-CB 3.46Å; I631-R634 PolarHBondContact O-N 3.18Å; F632-R634 PolarHBondContact O-N 3.37Å; R634-V636 VanDerWaalsContact C-N 3.31Å; R634-V636 PolarHBondContact O-N 3.07Å; R634-S637 PolarHBondContact O-N 2.88Å; R634-A638 VanDerWaalsContact O-CB 3.25Å; R634-A638 WeakPolarHBondContact O-CB 3.27Å; R634-A638 PolarHBondContact O-N 3.22Å
635L85Confident86.2Confident1 Ų136.9 Ų36.91%0.00519%0.187CC..Hα-helixtrans-62.5-35-179.6-67.8164.9000113.1L608 I609 I631 F632 C633 G639 R640 A641 Y644L608-L635 HydrophobicContact CD2-CD2 4.45Å; L608-L635 HydrophobicContact CD2-CG 4.31Å; I609-L635 HydrophobicContact CD1-CD2 3.87Å; I609-L635 HydrophobicContact CG1-CD2 3.3Å; I631-L635 HydrophobicContact CG2-CD1 3.68Å; I631-L635 HydrophobicContact CG2-CG 4.34Å; I631-L635 WeakPolarHBondContact O-CD1 3.2Å; I631-L635 WeakPolarHBondContact O-CG 3.49Å; I631-L635 PolarHBondContact O-N 3.03Å; F632-L635 PolarHBondContact O-N 3.28Å; F632-L635 VanDerWaalsContact O-N 3.16Å; C633-L635 PolarHBondContact O-N 3.25Å; L635-G639 PolarHBondContact O-N 3.07Å; L635-R640 CarbonylContact O-C 3.49Å; L635-R640 PolarHBondContact O-N 3.22Å; L635-A641 HydrophobicContact CB-CB 4.21Å; L635-A641 PolarHBondContact O-N 3.29Å; L635-Y644 HydrophobicContact CD1-CD1 3.77Å; L635-Y644 HydrophobicContact CD1-CD2 3.79Å; L635-Y644 HydrophobicContact CD1-CE1 3.66Å; L635-Y644 HydrophobicContact CD1-CE2 3.67Å; L635-Y644 HydrophobicContact CD1-CG 3.84Å; L635-Y644 HydrophobicContact CD2-CD2 4.38Å; L635-Y644 HydrophobicContact CD2-CE2 3.75Å; L635-Y644 HydrophobicContact CG-CD2 4.5Å; L635-Y644 HydrophobicContact CG-CE2 4.26Å
636V85.9Confident86.3Confident21 Ų2140.4 Ų40.413%0.12720%0.201CC..Hα-helixtrans-71.3-51.1176.4173.50000110.4F632 C633 R634 A638 G639 A641 Y645 M668F632-V636 HydrophobicContact CD2-CG2 3.89Å; F632-V636 HydrophobicContact CE2-CG2 4.08Å; F632-V636 VanDerWaalsContact O-CG2 3.26Å; F632-V636 WeakPolarHBondContact O-CG2 3.35Å; F632-V636 PolarHBondContact O-N 3.13Å; C633-V636 PolarHBondContact O-N 2.89Å; R634-V636 VanDerWaalsContact C-N 3.31Å; R634-V636 PolarHBondContact O-N 3.07Å; V636-A638 PolarHBondContact O-N 2.92Å; V636-G639 PolarHBondContact O-N 3.38Å; V636-A641 HydrophobicContact CB-CB 4.24Å; V636-A641 HydrophobicContact CG2-CB 3.53Å; V636-Y645 HydrophobicContact CG2-CE1 4.03Å; V636-Y645 WeakPolarHBondContact CG2-OH 3.32Å; V636-M668 HydrophobicContact CB-SD 3.54Å; V636-M668 VanDerWaalsContact CB-SD 3.54Å; V636-M668 HydrophobicContact CG1-SD 3.49Å; V636-M668 WeakPolarHBondContact CG1-SD 3.4Å; V636-M668 HydrophobicContact CG2-SD 4.21Å
637S79.6Confident86.6Confident55 Ų5538.1 Ų38.139%0.38519%0.186SC..Hα-helixtrans-60-32.2175.8-75.90000113L233 C633 R634 G639 M668L233-S637 PolarHBondContact O-OG 3.18Å; C633-S637 PolarHBondContact O-N 3.34Å; R634-S637 PolarHBondContact O-N 2.88Å; S637-G639 PolarHBondContact O-N 3.18Å; S637-M668 WeakPolarHBondContact OG-CE 3.28Å
638A77.1Confident86.9Confident15 Ų1538.2 Ų38.212%0.12419%0.186CC..THydrogen-bonded Turntrans-75.3-6.4174.600000114.3D605 R634 V636 R640D605-A638 HydrophobicContact CB-CB 3.67Å; R634-A638 VanDerWaalsContact O-CB 3.25Å; R634-A638 WeakPolarHBondContact O-CB 3.27Å; R634-A638 PolarHBondContact O-N 3.22Å; V636-A638 PolarHBondContact O-N 2.92Å; A638-R640 VanDerWaalsContact C-N 3.3Å; A638-R640 PolarHBondContact O-N 2.81Å
639G81.8Confident87.2Confident25 Ų2539.5 Ų39.526%0.25819%0.193SC..THydrogen-bonded Turntrans72.218.9-17700000114.5L635 V636 S637L635-G639 PolarHBondContact O-N 3.07Å; V636-G639 PolarHBondContact O-N 3.38Å; S637-G639 PolarHBondContact O-N 3.18Å
640R82.3Confident87.3Confident108 Ų10842.8 Ų42.841%0.40821%0.21SC..  trans-119.93.7-170.2-64.4176.9-170.1-167.58.9114D606 I609 L635 A638 Q642D606-R640 IonicContact OD1-CZ 3.33Å; D606-R640 IonicContact OD1-NH1 3.7Å; D606-R640 PolarHBondContact OD1-NH1 3.06Å; D606-R640 IonicContact OD1-NH2 3.14Å; D606-R640 PolarHBondContact OD1-NH2 3.36Å; I609-R640 HydrophobicContact CD1-CB 3.71Å; I609-R640 HydrophobicContact CD1-CG 4.08Å; L635-R640 CarbonylContact O-C 3.49Å; L635-R640 PolarHBondContact O-N 3.22Å; A638-R640 VanDerWaalsContact C-N 3.3Å; A638-R640 PolarHBondContact O-N 2.81Å; R640-Q642 PolarHBondContact O-N 2.66Å; R640-Q642 VanDerWaalsContact O-N 3.14Å
641A87.3Confident87.6Confident2 Ų240.4 Ų40.42%0.01720%0.201CC..THydrogen-bonded Turntrans-64.4-9.2177.500000115.7F632 L635 V636 K643 Y644 Y645F632-A641 HydrophobicContact CD2-CB 4.48Å; F632-A641 HydrophobicContact CE2-CB 4.19Å; L635-A641 HydrophobicContact CB-CB 4.21Å; L635-A641 PolarHBondContact O-N 3.29Å; V636-A641 HydrophobicContact CB-CB 4.24Å; V636-A641 HydrophobicContact CG2-CB 3.53Å; A641-K643 VanDerWaalsContact C-N 3.27Å; A641-K643 PolarHBondContact O-N 2.57Å; A641-Y644 CarbonylContact O-C 3.17Å; A641-Y644 WeakPolarHBondContact O-CA 3.27Å; A641-Y644 WeakPolarHBondContact O-CB 3.29Å; A641-Y644 PolarHBondContact O-N 3.33Å; A641-Y645 HydrophobicContact CB-CD1 4.48Å; A641-Y645 HydrophobicContact CB-CD2 4.4Å; A641-Y645 HydrophobicContact CB-CE1 3.96Å; A641-Y645 HydrophobicContact CB-CE2 3.87Å; A641-Y645 PolarHBondContact O-N 3.02Å
642Q88Confident87.9Confident138 Ų13846.7 Ų46.765%0.64523%0.234SC*.Hα-helixtrans-50.7-41.5-169.5-171.361.820.300114.7R640 Q646R640-Q642 PolarHBondContact O-N 2.66Å; R640-Q642 VanDerWaalsContact O-N 3.14Å; Q642-Q646 PolarHBondContact O-N 3.31Å
643K89.3Confident88Confident123 Ų12347 Ų4754%0.53524%0.236SC..Hα-helixtrans-74.7-33.1177.9-55.2-170.2-177.9-179.70113.1E614 A641 Q646 R647E614-K643 HydrophobicContact CG-CB 4.16Å; E614-K643 HydrophobicContact CG-CD 4.2Å; E614-K643 WeakPolarHBondContact OE1-CD 3.4Å; E614-K643 WeakPolarHBondContact OE1-CE 3.46Å; E614-K643 IonicContact OE1-NZ 2.7Å; E614-K643 PolarHBondContact OE1-NZ 2.9Å; E614-K643 VanDerWaalsContact OE2-CD 3.26Å; E614-K643 WeakPolarHBondContact OE2-CD 3.38Å; E614-K643 IonicContact OE2-NZ 3.25Å; A641-K643 VanDerWaalsContact C-N 3.27Å; A641-K643 PolarHBondContact O-N 2.57Å; K643-Q646 PolarHBondContact O-N 3.17Å; K643-R647 PolarHBondContact O-N 2.88Å
644Y91.3Very high88.2Confident8 Ų847.5 Ų47.53%0.03124%0.24CC..Hα-helixtrans-72-31.6177-58.7-95000111.3V612 F617 L635 A641 R647 V648V612-Y644 PolarHBondContact O-OH 3.08Å; F617-Y644 HydrophobicContact CB-CD1 4.15Å; F617-Y644 HydrophobicContact CB-CE1 4.34Å; F617-Y644 AromaticContact CD1-CD1 3.85Å; F617-Y644 HydrophobicContact CD1-CD1 3.85Å; F617-Y644 AromaticContact CD2-CD1 3.88Å; F617-Y644 HydrophobicContact CD2-CD1 3.88Å; F617-Y644 HydrophobicContact CD2-CE1 4.2Å; F617-Y644 HydrophobicContact CE1-CD1 4.15Å; F617-Y644 HydrophobicContact CE2-CD1 4.2Å; F617-Y644 AromaticContact CG-CD1 3.7Å; F617-Y644 HydrophobicContact CG-CD1 3.7Å; F617-Y644 HydrophobicContact CG-CE1 4.22Å; F617-Y644 HydrophobicContact CZ-CD1 4.33Å; L635-Y644 HydrophobicContact CD1-CD1 3.77Å; L635-Y644 HydrophobicContact CD1-CD2 3.79Å; L635-Y644 HydrophobicContact CD1-CE1 3.66Å; L635-Y644 HydrophobicContact CD1-CE2 3.67Å; L635-Y644 HydrophobicContact CD1-CG 3.84Å; L635-Y644 HydrophobicContact CD2-CD2 4.38Å; L635-Y644 HydrophobicContact CD2-CE2 3.75Å; L635-Y644 HydrophobicContact CG-CD2 4.5Å; L635-Y644 HydrophobicContact CG-CE2 4.26Å; A641-Y644 CarbonylContact O-C 3.17Å; A641-Y644 WeakPolarHBondContact O-CA 3.27Å; A641-Y644 WeakPolarHBondContact O-CB 3.29Å; A641-Y644 PolarHBondContact O-N 3.33Å; Y644-R647 PolarHBondContact O-N 2.93Å; Y644-V648 VanDerWaalsContact O-CG2 3.32Å; Y644-V648 WeakPolarHBondContact O-CG2 3.29Å; Y644-V648 PolarHBondContact O-N 3.49Å
645Y93Very high88.6Confident18 Ų1849 Ų497%0.07125%0.25CS..Hα-helixtrans-58.1-53.4166.7-64-39.2000111F632 V636 A641 R647 V648 L649 M670 P671 F674F632-Y645 AromaticContact CE2-CD1 3.79Å; F632-Y645 HydrophobicContact CE2-CD1 3.79Å; F632-Y645 AromaticContact CE2-CE1 3.77Å; F632-Y645 HydrophobicContact CE2-CE1 3.77Å; F632-Y645 AromaticContact CZ-CD1 3.73Å; F632-Y645 HydrophobicContact CZ-CD1 3.73Å; F632-Y645 AromaticContact CZ-CE1 3.95Å; F632-Y645 HydrophobicContact CZ-CE1 3.95Å; V636-Y645 HydrophobicContact CG2-CE1 4.03Å; V636-Y645 WeakPolarHBondContact CG2-OH 3.32Å; A641-Y645 HydrophobicContact CB-CD1 4.48Å; A641-Y645 HydrophobicContact CB-CD2 4.4Å; A641-Y645 HydrophobicContact CB-CE1 3.96Å; A641-Y645 HydrophobicContact CB-CE2 3.87Å; A641-Y645 PolarHBondContact O-N 3.02Å; Y645-R647 VanDerWaalsContact C-N 3.32Å; Y645-R647 PolarHBondContact O-N 2.82Å; Y645-V648 PolarHBondContact O-N 2.94Å; Y645-V648 VanDerWaalsContact O-N 3.16Å; Y645-L649 WeakPolarHBondContact O-CG 3.11Å; Y645-L649 PolarHBondContact O-N 3.14Å; Y645-M670 HydrophobicContact CD1-SD 4.45Å; Y645-M670 HydrophobicContact CE1-CG 4.3Å; Y645-M670 HydrophobicContact CE1-SD 3.71Å; Y645-P671 HydrophobicContact CD2-CG 4.38Å; Y645-P671 HydrophobicContact CE2-CG 3.65Å; Y645-P671 VanDerWaalsContact CZ-CD 3.44Å; Y645-P671 WeakPolarHBondContact OH-CD 3.29Å; Y645-F674 AromaticContact CD1-CD1 3.93Å; Y645-F674 HydrophobicContact CD1-CD1 3.93Å; Y645-F674 AromaticContact CD1-CD2 3.94Å; Y645-F674 HydrophobicContact CD1-CD2 3.94Å; Y645-F674 HydrophobicContact CD1-CE1 4.05Å; Y645-F674 HydrophobicContact CD1-CE2 4.05Å; Y645-F674 AromaticContact CD1-CG 3.88Å; Y645-F674 HydrophobicContact CD1-CG 3.88Å; Y645-F674 HydrophobicContact CD1-CZ 4.11Å; Y645-F674 HydrophobicContact CE1-CD1 4.28Å; Y645-F674 HydrophobicContact CE1-CE1 4.46Å; Y645-F674 HydrophobicContact CG-CB 4.49Å; Y645-F674 AromaticContact CG-CD2 3.99Å; Y645-F674 HydrophobicContact CG-CD2 3.99Å; Y645-F674 HydrophobicContact CG-CE2 4.4Å; Y645-F674 HydrophobicContact CG-CG 4.08Å; Y645-F674 WeakPolarHBondContact O-CE2 3.49Å
646Q91.9Very high88.9Confident104 Ų10451.6 Ų51.649%0.48626%0.264SS..Hα-helixtrans-57-47.2177.1-174.760.653.100111.1Q642 K643 V648 L649 D650Q642-Q646 PolarHBondContact O-N 3.31Å; K643-Q646 PolarHBondContact O-N 3.17Å; Q646-V648 VanDerWaalsContact C-N 3.28Å; Q646-V648 PolarHBondContact O-N 3.02Å; Q646-L649 CarbonylContact O-C 3.44Å; Q646-L649 WeakPolarHBondContact O-CA 3.44Å; Q646-L649 WeakPolarHBondContact O-CB 3.46Å; Q646-L649 PolarHBondContact O-N 3.43Å; Q646-D650 PolarHBondContact NE2-OD1 2.79Å; Q646-D650 PolarHBondContact O-N 3.26Å
647R91.7Very high89.3Confident45 Ų4550.6 Ų50.617%0.1726%0.259CS..Hα-helixtrans-57.6-39.3178.4-168.968.7169.896.84.2112.9E614 N615 E618 K643 Y644 Y645 D650 M651E614-R647 WeakPolarHBondContact O-CD 3.36Å; E614-R647 WeakPolarHBondContact O-CG 3.42Å; E614-R647 PolarHBondContact O-NE 3.04Å; E614-R647 VanDerWaalsContact O-NE 3.08Å; N615-R647 PolarHBondContact O-NH2 3.31Å; E618-R647 VanDerWaalsContact CB-NH2 3.31Å; E618-R647 IonicContact OE2-CZ 3.39Å; E618-R647 IonicContact OE2-NH1 2.74Å; E618-R647 PolarHBondContact OE2-NH1 2.86Å; E618-R647 IonicContact OE2-NH2 4Å; E618-R647 PolarHBondContact OE2-NH2 3.38Å; K643-R647 PolarHBondContact O-N 2.88Å; Y644-R647 PolarHBondContact O-N 2.93Å; Y645-R647 VanDerWaalsContact C-N 3.32Å; Y645-R647 PolarHBondContact O-N 2.82Å; R647-D650 PolarHBondContact O-N 3.13Å; R647-M651 WeakPolarHBondContact O-CG 3.26Å; R647-M651 PolarHBondContact O-N 2.82Å
648V94Very high89.9Confident2 Ų248.4 Ų48.41%0.01224%0.242CC..Hα-helixtrans-71-32.3175169.90000112.1F617 I621 F632 Y644 Y645 Q646 D650 M651 V657 V661 F674 F678F617-V648 HydrophobicContact CD1-CG2 4.38Å; F617-V648 HydrophobicContact CE1-CG2 3.79Å; I621-V648 HydrophobicContact CD1-CG2 4.03Å; F632-V648 HydrophobicContact CE1-CG2 4.17Å; F632-V648 HydrophobicContact CZ-CG2 4.27Å; Y644-V648 VanDerWaalsContact O-CG2 3.32Å; Y644-V648 WeakPolarHBondContact O-CG2 3.29Å; Y644-V648 PolarHBondContact O-N 3.49Å; Y645-V648 PolarHBondContact O-N 2.94Å; Y645-V648 VanDerWaalsContact O-N 3.16Å; Q646-V648 VanDerWaalsContact C-N 3.28Å; Q646-V648 PolarHBondContact O-N 3.02Å; V648-D650 VanDerWaalsContact C-N 3.3Å; V648-M651 HydrophobicContact CG2-SD 4.39Å; V648-V657 HydrophobicContact CG1-CG1 4.12Å; V648-V661 HydrophobicContact CG1-CG2 3.85Å; V648-F674 HydrophobicContact CB-CE2 4.21Å; V648-F674 HydrophobicContact CB-CZ 4.34Å; V648-F674 HydrophobicContact CG1-CE2 4.09Å; V648-F674 HydrophobicContact CG1-CZ 3.9Å; V648-F678 HydrophobicContact CG1-CD2 4.2Å; V648-F678 HydrophobicContact CG1-CE2 4.14Å
649L94.1Very high90.5Very high27 Ų2750.3 Ų50.314%0.14125%0.25CS..Hα-helixtrans-70.8-23.4169.4-65.4178000112.7Y645 Q646 F674 D677 F678 K681Y645-L649 WeakPolarHBondContact O-CG 3.11Å; Y645-L649 PolarHBondContact O-N 3.14Å; Q646-L649 CarbonylContact O-C 3.44Å; Q646-L649 WeakPolarHBondContact O-CA 3.44Å; Q646-L649 WeakPolarHBondContact O-CB 3.46Å; Q646-L649 PolarHBondContact O-N 3.43Å; L649-F674 HydrophobicContact CD1-CD2 4Å; L649-F674 HydrophobicContact CD2-CD2 3.98Å; L649-F674 HydrophobicContact CD2-CE2 3.98Å; L649-F674 HydrophobicContact CG-CD2 3.81Å; L649-F674 HydrophobicContact CG-CE2 3.89Å; L649-D677 HydrophobicContact CD1-CB 3.81Å; L649-D677 HydrophobicContact CD2-CB 3.78Å; L649-D677 HydrophobicContact CG-CB 4.47Å; L649-F678 HydrophobicContact CD2-CB 3.85Å; L649-F678 HydrophobicContact CD2-CD2 4.44Å; L649-K681 VanDerWaalsContact O-CD 3.27Å; L649-K681 WeakPolarHBondContact O-CD 3.22Å; L649-K681 WeakPolarHBondContact O-CE 3.1Å; L649-K681 PolarHBondContact O-NZ 2.85Å
650D92.9Very high91.1Very high92 Ų9249.2 Ų49.249%0.49224%0.239SC..Hα-helixtrans-81.4-42.6175.3-57.3-31000111.7Q646 R647 V648 K681Q646-D650 PolarHBondContact NE2-OD1 2.79Å; Q646-D650 PolarHBondContact O-N 3.26Å; R647-D650 PolarHBondContact O-N 3.13Å; V648-D650 VanDerWaalsContact C-N 3.3Å; D650-K681 PolarHBondContact O-NZ 3.33Å
651M91.5Very high91.6Very high4 Ų444.1 Ų44.12%0.0222%0.22CC..SBendtrans-55.9145.7-178.6-76.41706800114.9E618 I621 R647 V648 V657 K681E618-M651 HydrophobicContact CB-CE 3.94Å; E618-M651 HydrophobicContact CB-CG 3.99Å; E618-M651 HydrophobicContact CB-SD 3.79Å; E618-M651 HydrophobicContact CG-CE 3.93Å; E618-M651 HydrophobicContact CG-CG 4.08Å; E618-M651 HydrophobicContact CG-SD 4.28Å; I621-M651 HydrophobicContact CB-CE 3.98Å; I621-M651 HydrophobicContact CD1-CE 3.8Å; I621-M651 HydrophobicContact CD1-SD 3.89Å; I621-M651 HydrophobicContact CG1-CE 4.48Å; I621-M651 HydrophobicContact CG2-CE 3.94Å; R647-M651 WeakPolarHBondContact O-CG 3.26Å; R647-M651 PolarHBondContact O-N 2.82Å; V648-M651 HydrophobicContact CG2-SD 4.39Å; M651-V657 HydrophobicContact CE-CG2 3.47Å; M651-V657 VanDerWaalsContact CE-CG2 3.47Å; M651-K681 PolarHBondContact O-NZ 3.05Å
652D91.1Very high91.8Very high133 Ų13345.5 Ų45.571%0.71123%0.227SC*.  trans-60.8141.1172.4-84.1-31.2000112.4S654D652-S654 VanDerWaalsContact C-N 3.33Å; D652-S654 PolarHBondContact O-N 3.31Å
653V91.2Very high91.9Very high7 Ų743.9 Ų43.94%0.04222%0.215CC..  trans-7482.8-174-173.90000110.8K681 C682 Y686V653-K681 HydrophobicContact CG2-CD 4.16Å; V653-K681 HydrophobicContact CG2-CG 4.03Å; V653-C682 VanDerWaalsContact CG1-SG 3.59Å; V653-Y686 HydrophobicContact CB-CE2 4.05Å; V653-Y686 HydrophobicContact CG1-CE2 3.89Å; V653-Y686 PolarHBondContact O-OH 2.63Å; V653-Y686 VanDerWaalsContact O-OH 3.11Å
654S90.6Very high91.9Very high32 Ų3238 Ų3822%0.22419%0.19CC..  trans-91.5163.3178.690.30000112.8N622 D652 N656 V657 L658N622-S654 PolarHBondContact OD1-OG 3.13Å; D652-S654 VanDerWaalsContact C-N 3.33Å; D652-S654 PolarHBondContact O-N 3.31Å; S654-N656 PolarHBondContact O-N 3.05Å; S654-N656 PolarHBondContact OG-N 2.96Å; S654-V657 PolarHBondContact O-N 2.81Å; S654-V657 PolarHBondContact OG-N 3.28Å; S654-V657 VanDerWaalsContact OG-N 3.16Å; S654-L658 PolarHBondContact O-N 3.35Å
655L90.1Very high91.8Very high68 Ų6837.8 Ų37.836%0.35619%0.189SC..Hα-helixtrans-57.3-33170.9-79.5172.4000112.5D659 I700 L703L655-D659 VanDerWaalsContact O-CB 3.31Å; L655-D659 WeakPolarHBondContact O-CB 3.22Å; L655-D659 PolarHBondContact O-N 2.93Å; L655-I700 HydrophobicContact CD2-CG1 3.86Å; L655-I700 HydrophobicContact CG-CD1 4.29Å; L655-I700 HydrophobicContact CG-CG1 4.02Å; L655-L703 HydrophobicContact CD2-CD1 3.52Å
656N92.2Very high91.4Very high56 Ų5640.1 Ų40.130%0.29921%0.205SC..Hα-helixtrans-72.9-41.5178.4-67.2-21.6000111I621 N622 S654 D659 V660I621-N656 HydrophobicContact CG2-CB 4.08Å; N622-N656 PolarHBondContact O-ND2 2.95Å; S654-N656 PolarHBondContact O-N 3.05Å; S654-N656 PolarHBondContact OG-N 2.96Å; N656-D659 PolarHBondContact O-N 3.48Å; N656-V660 WeakPolarHBondContact O-CB 3.45Å; N656-V660 WeakPolarHBondContact O-CG2 3.25Å; N656-V660 PolarHBondContact O-N 3.02Å
657V94.1Very high90.8Very high1 Ų137.7 Ų37.71%0.00620%0.203CC..Hα-helixtrans-59.8-48.7174174.40000110.5I621 V648 M651 S654 D659 V660 V661 F678I621-V657 HydrophobicContact CG2-CG2 3.93Å; V648-V657 HydrophobicContact CG1-CG1 4.12Å; M651-V657 HydrophobicContact CE-CG2 3.47Å; M651-V657 VanDerWaalsContact CE-CG2 3.47Å; S654-V657 PolarHBondContact O-N 2.81Å; S654-V657 PolarHBondContact OG-N 3.28Å; S654-V657 VanDerWaalsContact OG-N 3.16Å; V657-D659 PolarHBondContact O-N 2.99Å; V657-V660 PolarHBondContact O-N 3.46Å; V657-V661 HydrophobicContact CG1-CG2 4.42Å; V657-V661 WeakPolarHBondContact O-CB 3.42Å; V657-V661 WeakPolarHBondContact O-CG2 3.46Å; V657-V661 PolarHBondContact O-N 2.89Å; V657-F678 HydrophobicContact CG1-CE2 3.67Å; V657-F678 HydrophobicContact CG1-CZ 4Å
658L92.1Very high90.2Very high8 Ų836.1 Ų36.14%0.04220%0.197CC..Hα-helixtrans-65.2-38-179.4-172.560.8000112.5S654 N662 F678 L703 I704 F707S654-L658 PolarHBondContact O-N 3.35Å; L658-N662 WeakPolarHBondContact O-CB 3.41Å; L658-N662 PolarHBondContact O-N 3.27Å; L658-F678 HydrophobicContact CD1-CE1 3.95Å; L658-F678 HydrophobicContact CD1-CZ 4.24Å; L658-L703 HydrophobicContact CD2-CB 3.64Å; L658-I704 HydrophobicContact CD2-CG1 3.94Å; L658-F707 HydrophobicContact CD1-CD1 3.79Å; L658-F707 HydrophobicContact CD1-CE1 4.25Å; L658-F707 HydrophobicContact CD1-CG 4.24Å
659D91.1Very high89.4Confident55 Ų5540.5 Ų40.529%0.29422%0.216SC..Hα-helixtrans-69.4-41.7175-170.934.4000112.1L655 N656 V657 R663L655-D659 VanDerWaalsContact O-CB 3.31Å; L655-D659 WeakPolarHBondContact O-CB 3.22Å; L655-D659 PolarHBondContact O-N 2.93Å; N656-D659 PolarHBondContact O-N 3.48Å; V657-D659 PolarHBondContact O-N 2.99Å; D659-R663 VanDerWaalsContact O-CB 3.31Å; D659-R663 WeakPolarHBondContact O-CB 3.45Å; D659-R663 WeakPolarHBondContact O-CD 3.37Å; D659-R663 WeakPolarHBondContact O-CG 3.2Å; D659-R663 PolarHBondContact O-N 2.98Å; D659-R663 IonicContact OD1-CZ 2.72Å; D659-R663 IonicContact OD1-NE 2.71Å; D659-R663 PolarHBondContact OD1-NE 2.93Å; D659-R663 IonicContact OD1-NH2 2.98Å; D659-R663 IonicContact OD2-CZ 3Å; D659-R663 VanDerWaalsContact OD2-CZ 3.25Å; D659-R663 IonicContact OD2-NE 2.59Å; D659-R663 PolarHBondContact OD2-NE 2.89Å; D659-R663 IonicContact OD2-NH2 2.81Å; D659-R663 PolarHBondContact OD2-NH2 3.08Å
660V92.7Very high88.9Confident2 Ų239.3 Ų39.31%0.01221%0.21CC..Hα-helixtrans-61.2-51.5174.7169.40000110.6I621 P625 A628 V629 F632 N656 V657 N662 R663 V664I621-V660 HydrophobicContact CG1-CG1 4.41Å; I621-V660 HydrophobicContact CG1-CG2 4.37Å; I621-V660 HydrophobicContact CG2-CG2 4.16Å; P625-V660 HydrophobicContact CB-CG2 3.74Å; A628-V660 HydrophobicContact CB-CG2 4.24Å; V629-V660 HydrophobicContact CG2-CB 4.17Å; V629-V660 HydrophobicContact CG2-CG1 4.04Å; V629-V660 HydrophobicContact CG2-CG2 4.06Å; F632-V660 HydrophobicContact CD1-CG1 4.05Å; N656-V660 WeakPolarHBondContact O-CB 3.45Å; N656-V660 WeakPolarHBondContact O-CG2 3.25Å; N656-V660 PolarHBondContact O-N 3.02Å; V657-V660 PolarHBondContact O-N 3.46Å; V660-N662 PolarHBondContact O-N 3.17Å; V660-R663 PolarHBondContact O-N 3.24Å; V660-V664 HydrophobicContact CG1-CG2 4.49Å; V660-V664 WeakPolarHBondContact O-CG2 3.26Å; V660-V664 PolarHBondContact O-N 2.94Å
661V93.6Very high88.7Confident1 Ų136.6 Ų36.61%0.00620%0.198CC..Hα-helixtrans-61.4-46.2179.21720000111V648 V657 R663 V664 V665 M670 F674 F678 F707V648-V661 HydrophobicContact CG1-CG2 3.85Å; V657-V661 HydrophobicContact CG1-CG2 4.42Å; V657-V661 WeakPolarHBondContact O-CB 3.42Å; V657-V661 WeakPolarHBondContact O-CG2 3.46Å; V657-V661 PolarHBondContact O-N 2.89Å; V661-R663 VanDerWaalsContact C-N 3.33Å; V661-R663 PolarHBondContact O-N 3.5Å; V661-V664 PolarHBondContact O-N 3.42Å; V661-V665 HydrophobicContact CG1-CG2 4.33Å; V661-V665 WeakPolarHBondContact O-CB 3.23Å; V661-V665 VanDerWaalsContact O-CG2 3.31Å; V661-V665 WeakPolarHBondContact O-CG2 3.39Å; V661-V665 PolarHBondContact O-N 3.22Å; V661-M670 HydrophobicContact CG1-CE 3.99Å; V661-F674 HydrophobicContact CG2-CZ 4.47Å; V661-F678 HydrophobicContact CB-CE1 4.17Å; V661-F678 HydrophobicContact CB-CZ 4.1Å; V661-F678 HydrophobicContact CG1-CD1 4.01Å; V661-F678 HydrophobicContact CG1-CE1 3.81Å; V661-F678 HydrophobicContact CG1-CZ 4.2Å; V661-F678 HydrophobicContact CG2-CD2 4.48Å; V661-F678 HydrophobicContact CG2-CE1 4.39Å; V661-F678 HydrophobicContact CG2-CE2 3.99Å; V661-F678 HydrophobicContact CG2-CZ 3.93Å; V661-F707 HydrophobicContact CG1-CE1 4.32Å; V661-F707 HydrophobicContact CG1-CZ 3.82Å
662N90.7Very high88.6Confident32 Ų3238.8 Ų38.817%0.17121%0.211CC..Hα-helixtrans-62.5-35.6177.8179.439.8000113.2L658 V660 T666 F707L658-N662 WeakPolarHBondContact O-CB 3.41Å; L658-N662 PolarHBondContact O-N 3.27Å; V660-N662 PolarHBondContact O-N 3.17Å; N662-T666 WeakPolarHBondContact O-CB 3.36Å; N662-T666 PolarHBondContact O-N 3.5Å; N662-T666 PolarHBondContact O-OG1 3.12Å; N662-F707 HydrophobicContact CB-CD2 3.92Å; N662-F707 HydrophobicContact CB-CE2 3.91Å; N662-F707 WeakPolarHBondContact OD1-CD2 3.26Å
663R90Very high88.5Confident104 Ų10438.2 Ų38.239%0.39221%0.208SC..Hα-helixtrans-71.1-42.7174.9-74.3169.7-170.8-128.522.3112.4L626 V629 D659 V660 V661 T666 A667L626-R663 VanDerWaalsContact CD2-NH1 3.29Å; V629-R663 HydrophobicContact CG1-CB 4.12Å; V629-R663 HydrophobicContact CG2-CB 3.76Å; V629-R663 HydrophobicContact CG2-CG 4.48Å; D659-R663 VanDerWaalsContact O-CB 3.31Å; D659-R663 WeakPolarHBondContact O-CB 3.45Å; D659-R663 WeakPolarHBondContact O-CD 3.37Å; D659-R663 WeakPolarHBondContact O-CG 3.2Å; D659-R663 PolarHBondContact O-N 2.98Å; D659-R663 IonicContact OD1-CZ 2.72Å; D659-R663 IonicContact OD1-NE 2.71Å; D659-R663 PolarHBondContact OD1-NE 2.93Å; D659-R663 IonicContact OD1-NH2 2.98Å; D659-R663 IonicContact OD2-CZ 3Å; D659-R663 VanDerWaalsContact OD2-CZ 3.25Å; D659-R663 IonicContact OD2-NE 2.59Å; D659-R663 PolarHBondContact OD2-NE 2.89Å; D659-R663 IonicContact OD2-NH2 2.81Å; D659-R663 PolarHBondContact OD2-NH2 3.08Å; V660-R663 PolarHBondContact O-N 3.24Å; V661-R663 VanDerWaalsContact C-N 3.33Å; V661-R663 PolarHBondContact O-N 3.5Å; R663-T666 CarbonylContact O-C 3.58Å; R663-T666 PolarHBondContact O-N 3.39Å; R663-T666 VanDerWaalsContact O-N 3.12Å; R663-A667 PolarHBondContact O-N 2.92Å
664V90.3Very high88.7Confident0 Ų038.3 Ų38.30%021%0.208CC..Hα-helixtrans-65.5-44.3175.9178.40000110.2V629 F632 V660 V661 T666 A667 M668 M670V629-V664 HydrophobicContact CG1-CG2 4.16Å; V629-V664 HydrophobicContact CG2-CG2 4.43Å; F632-V664 HydrophobicContact CB-CG2 4.08Å; F632-V664 HydrophobicContact CD1-CG2 3.84Å; F632-V664 HydrophobicContact CG-CG2 4.2Å; V660-V664 HydrophobicContact CG1-CG2 4.49Å; V660-V664 WeakPolarHBondContact O-CG2 3.26Å; V660-V664 PolarHBondContact O-N 2.94Å; V661-V664 PolarHBondContact O-N 3.42Å; V664-T666 PolarHBondContact O-N 3.47Å; V664-A667 PolarHBondContact O-N 3.39Å; V664-M668 HydrophobicContact CG1-CG 3.78Å; V664-M668 HydrophobicContact CG1-SD 3.98Å; V664-M668 WeakPolarHBondContact O-CG 3.42Å; V664-M668 PolarHBondContact O-N 2.83Å; V664-M668 VanDerWaalsContact O-O 3.1Å; V664-M670 HydrophobicContact CB-CE 3.84Å; V664-M670 HydrophobicContact CB-SD 4.29Å; V664-M670 HydrophobicContact CG1-CE 3.72Å; V664-M670 HydrophobicContact CG1-CG 4.02Å; V664-M670 HydrophobicContact CG1-SD 3.54Å; V664-M670 VanDerWaalsContact CG1-SD 3.54Å
665V88.4Confident88.8Confident3 Ų336.8 Ų36.82%0.01820%0.197CC..Hα-helixtrans-55.8-35.3169162.10000112.6V661 M668 M670 L675 F707 L711 M716V661-V665 HydrophobicContact CG1-CG2 4.33Å; V661-V665 WeakPolarHBondContact O-CB 3.23Å; V661-V665 VanDerWaalsContact O-CG2 3.31Å; V661-V665 WeakPolarHBondContact O-CG2 3.39Å; V661-V665 PolarHBondContact O-N 3.22Å; V665-M668 CarbonylContact C-O 3.58Å; V665-M668 WeakPolarHBondContact CA-O 3.46Å; V665-M670 HydrophobicContact CG2-CE 3.58Å; V665-L675 HydrophobicContact CG2-CD2 3.58Å; V665-F707 HydrophobicContact CB-CE2 4.26Å; V665-F707 HydrophobicContact CG1-CE2 4.11Å; V665-F707 HydrophobicContact CG2-CE2 4.21Å; V665-F707 HydrophobicContact CG2-CZ 4.12Å; V665-L711 HydrophobicContact CG1-CD2 3.63Å; V665-L711 HydrophobicContact CG2-CD2 4.32Å; V665-M716 HydrophobicContact CB-CE 4.37Å; V665-M716 HydrophobicContact CG1-CE 3.81Å; V665-M716 HydrophobicContact CG1-SD 3.79Å; V665-M716 HydrophobicContact CG2-CE 4.46Å
666T86.2Confident89Confident66 Ų6634.4 Ų34.441%0.40519%0.186SC..Hα-helixtrans-77.6-32.3179.6-69.10000112.8N662 R663 V664 R714N662-T666 WeakPolarHBondContact O-CB 3.36Å; N662-T666 PolarHBondContact O-N 3.5Å; N662-T666 PolarHBondContact O-OG1 3.12Å; R663-T666 CarbonylContact O-C 3.58Å; R663-T666 PolarHBondContact O-N 3.39Å; R663-T666 VanDerWaalsContact O-N 3.12Å; V664-T666 PolarHBondContact O-N 3.47Å; T666-R714 PolarHBondContact OG1-NH2 3.36Å
667A79Confident89.1Confident53 Ų5336.1 Ų36.144%0.43820%0.195SC..Hα-helixtrans-76.7-44.7174.100000111.7L233 R663 V664L233-A667 WeakPolarHBondContact CD1-O 3.43Å; L233-A667 WeakPolarHBondContact CD2-O 3.24Å; R663-A667 PolarHBondContact O-N 2.92Å; V664-A667 PolarHBondContact O-N 3.39Å
668M77.9Confident89.2Confident13 Ų1336.2 Ų36.26%0.06420%0.195CC..SBendtrans-150.5164.8-16456.5173.149.800114.9L233 C633 V636 S637 V664 V665L233-M668 HydrophobicContact CD1-CB 3.58Å; L233-M668 HydrophobicContact CD2-CB 3.83Å; L233-M668 HydrophobicContact CD2-CE 4.01Å; L233-M668 HydrophobicContact CG-CB 4.26Å; C633-M668 HydrophobicContact CB-CE 3.58Å; C633-M668 HydrophobicContact CB-SD 4.04Å; C633-M668 WeakPolarHBondContact O-CE 3.38Å; V636-M668 HydrophobicContact CB-SD 3.54Å; V636-M668 VanDerWaalsContact CB-SD 3.54Å; V636-M668 HydrophobicContact CG1-SD 3.49Å; V636-M668 WeakPolarHBondContact CG1-SD 3.4Å; V636-M668 HydrophobicContact CG2-SD 4.21Å; S637-M668 WeakPolarHBondContact OG-CE 3.28Å; V664-M668 HydrophobicContact CG1-CG 3.78Å; V664-M668 HydrophobicContact CG1-SD 3.98Å; V664-M668 WeakPolarHBondContact O-CG 3.42Å; V664-M668 PolarHBondContact O-N 2.83Å; V664-M668 VanDerWaalsContact O-O 3.1Å; V665-M668 CarbonylContact C-O 3.58Å; V665-M668 WeakPolarHBondContact CA-O 3.46Å
669F78.8Confident89.4Confident93 Ų9335.8 Ų35.841%0.40819%0.193SC..  trans-73.8135173.3-61.3-72.8000110.9N106 M716N106-F669 HydrophobicContact CB-CB 4.35Å; N106-F669 HydrophobicContact CB-CD1 3.69Å; N106-F669 HydrophobicContact CB-CE1 4.13Å; N106-F669 HydrophobicContact CB-CG 4.05Å; F669-M716 HydrophobicContact CD1-CE 4.29Å
670M83.4Confident89.5Confident3 Ų334.8 Ų34.82%0.01519%0.19CC..  trans-115.5159.4165.5-67.8-157.2-84.100109.4N106 F632 Y645 V661 V664 V665 F674 L675N106-M670 PolarHBondContact ND2-O 3.46Å; N106-M670 VanDerWaalsContact ND2-O 3.16Å; F632-M670 HydrophobicContact CE1-SD 4.41Å; F632-M670 HydrophobicContact CZ-SD 4.23Å; Y645-M670 HydrophobicContact CD1-SD 4.45Å; Y645-M670 HydrophobicContact CE1-CG 4.3Å; Y645-M670 HydrophobicContact CE1-SD 3.71Å; V661-M670 HydrophobicContact CG1-CE 3.99Å; V664-M670 HydrophobicContact CB-CE 3.84Å; V664-M670 HydrophobicContact CB-SD 4.29Å; V664-M670 HydrophobicContact CG1-CE 3.72Å; V664-M670 HydrophobicContact CG1-CG 4.02Å; V664-M670 HydrophobicContact CG1-SD 3.54Å; V664-M670 VanDerWaalsContact CG1-SD 3.54Å; V665-M670 HydrophobicContact CG2-CE 3.58Å; M670-F674 HydrophobicContact CB-CD1 4.27Å; M670-F674 HydrophobicContact CE-CE1 3.8Å; M670-F674 HydrophobicContact SD-CD1 4.21Å; M670-F674 HydrophobicContact SD-CE1 3.76Å; M670-L675 HydrophobicContact CB-CD1 4.31Å; M670-L675 HydrophobicContact CB-CD2 4.25Å; M670-L675 HydrophobicContact CB-CG 4.26Å; M670-L675 HydrophobicContact CE-CD2 4.18Å
671P88.2Confident89.6Confident35 Ų3537 Ų3723%0.22720%0.2CC..  trans-55.7138.4177.9-25.834.7000111.8Y645 D673 F674 L675Y645-P671 HydrophobicContact CD2-CG 4.38Å; Y645-P671 HydrophobicContact CE2-CG 3.65Å; Y645-P671 VanDerWaalsContact CZ-CD 3.44Å; Y645-P671 WeakPolarHBondContact OH-CD 3.29Å; P671-D673 VanDerWaalsContact C-N 3.28Å; P671-D673 PolarHBondContact O-N 3.06Å; P671-F674 HydrophobicContact CB-CB 4.36Å; P671-F674 PolarHBondContact O-N 2.77Å; P671-L675 WeakPolarHBondContact O-CG 3.31Å; P671-L675 PolarHBondContact O-N 3.48Å
672V88.4Confident89.7Confident49 Ų4937 Ų3730%0.29720%0.199SC..Hα-helixtrans-61.3-41.6-178.4-176.60000110.3F674 L675 C676V672-F674 PolarHBondContact O-N 2.82Å; V672-L675 PolarHBondContact O-N 3Å; V672-L675 VanDerWaalsContact O-N 3.12Å; V672-C676 PolarHBondContact O-N 3.18Å; V672-C676 PolarHBondContact O-SG 2.98Å
673D90.6Very high90Very high122 Ų12235.8 Ų35.865%0.65219%0.193SC*.Hα-helixtrans-56.5-52.2179.5-44.3-45.4000111.6P671 L675 C676 D677P671-D673 VanDerWaalsContact C-N 3.28Å; P671-D673 PolarHBondContact O-N 3.06Å; D673-L675 VanDerWaalsContact C-N 3.28Å; D673-L675 PolarHBondContact O-N 3.41Å; D673-C676 WeakPolarHBondContact O-CB 3.14Å; D673-C676 PolarHBondContact O-N 3.46Å; D673-C676 VanDerWaalsContact O-N 3.08Å; D673-D677 PolarHBondContact O-N 2.89Å
674F94Very high90.2Very high8 Ų835.2 Ų35.24%0.03520%0.204CC..Hα-helixtrans-56.8-39.9175.9165.1-101.6000112.5Y645 V648 L649 V661 M670 P671 V672 F678Y645-F674 AromaticContact CD1-CD1 3.93Å; Y645-F674 HydrophobicContact CD1-CD1 3.93Å; Y645-F674 AromaticContact CD1-CD2 3.94Å; Y645-F674 HydrophobicContact CD1-CD2 3.94Å; Y645-F674 HydrophobicContact CD1-CE1 4.05Å; Y645-F674 HydrophobicContact CD1-CE2 4.05Å; Y645-F674 AromaticContact CD1-CG 3.88Å; Y645-F674 HydrophobicContact CD1-CG 3.88Å; Y645-F674 HydrophobicContact CD1-CZ 4.11Å; Y645-F674 HydrophobicContact CE1-CD1 4.28Å; Y645-F674 HydrophobicContact CE1-CE1 4.46Å; Y645-F674 HydrophobicContact CG-CB 4.49Å; Y645-F674 AromaticContact CG-CD2 3.99Å; Y645-F674 HydrophobicContact CG-CD2 3.99Å; Y645-F674 HydrophobicContact CG-CE2 4.4Å; Y645-F674 HydrophobicContact CG-CG 4.08Å; Y645-F674 WeakPolarHBondContact O-CE2 3.49Å; V648-F674 HydrophobicContact CB-CE2 4.21Å; V648-F674 HydrophobicContact CB-CZ 4.34Å; V648-F674 HydrophobicContact CG1-CE2 4.09Å; V648-F674 HydrophobicContact CG1-CZ 3.9Å; L649-F674 HydrophobicContact CD1-CD2 4Å; L649-F674 HydrophobicContact CD2-CD2 3.98Å; L649-F674 HydrophobicContact CD2-CE2 3.98Å; L649-F674 HydrophobicContact CG-CD2 3.81Å; L649-F674 HydrophobicContact CG-CE2 3.89Å; V661-F674 HydrophobicContact CG2-CZ 4.47Å; M670-F674 HydrophobicContact CB-CD1 4.27Å; M670-F674 HydrophobicContact CE-CE1 3.8Å; M670-F674 HydrophobicContact SD-CD1 4.21Å; M670-F674 HydrophobicContact SD-CE1 3.76Å; P671-F674 HydrophobicContact CB-CB 4.36Å; P671-F674 PolarHBondContact O-N 2.77Å; V672-F674 PolarHBondContact O-N 2.82Å; F674-F678 WeakPolarHBondContact O-CB 3.37Å; F674-F678 PolarHBondContact O-N 3.17Å
675L94Very high90.3Very high1 Ų138.1 Ų38.11%0.00522%0.222CC..Hα-helixtrans-71.5-32.9178.9-63.9174.1000112.2V665 M670 P671 V672 D673 L679 L711 M716 I717V665-L675 HydrophobicContact CG2-CD2 3.58Å; M670-L675 HydrophobicContact CB-CD1 4.31Å; M670-L675 HydrophobicContact CB-CD2 4.25Å; M670-L675 HydrophobicContact CB-CG 4.26Å; M670-L675 HydrophobicContact CE-CD2 4.18Å; P671-L675 WeakPolarHBondContact O-CG 3.31Å; P671-L675 PolarHBondContact O-N 3.48Å; V672-L675 PolarHBondContact O-N 3Å; V672-L675 VanDerWaalsContact O-N 3.12Å; D673-L675 VanDerWaalsContact C-N 3.28Å; D673-L675 PolarHBondContact O-N 3.41Å; L675-L679 WeakPolarHBondContact O-CB 3.46Å; L675-L679 WeakPolarHBondContact O-CG 3.36Å; L675-L679 PolarHBondContact O-N 2.91Å; L675-L679 VanDerWaalsContact O-N 3.09Å; L675-L711 HydrophobicContact CD1-CD2 4.23Å; L675-M716 HydrophobicContact CD1-CE 4.35Å; L675-I717 HydrophobicContact CB-CD1 3.77Å; L675-I717 HydrophobicContact CB-CG1 4.08Å
676C93.2Very high90.6Very high18 Ų1838.9 Ų38.912%0.12223%0.225CC..Hα-helixtrans-68.9-51.4173.1-61.80000110.8V672 D673 F678 L679 C680 I722V672-C676 PolarHBondContact O-N 3.18Å; V672-C676 PolarHBondContact O-SG 2.98Å; D673-C676 WeakPolarHBondContact O-CB 3.14Å; D673-C676 PolarHBondContact O-N 3.46Å; D673-C676 VanDerWaalsContact O-N 3.08Å; C676-F678 VanDerWaalsContact C-N 3.28Å; C676-F678 PolarHBondContact O-N 3.49Å; C676-L679 PolarHBondContact O-N 3.32Å; C676-L679 VanDerWaalsContact O-N 3.16Å; C676-C680 WeakPolarHBondContact O-CB 3.46Å; C676-C680 PolarHBondContact O-N 2.94Å; C676-C680 PolarHBondContact O-SG 3.15Å; C676-C680 VanDerWaalsContact O-SG 3.35Å; C676-I722 HydrophobicContact CB-CG2 3.93Å
677D94.3Very high90.9Very high92 Ų9236.5 Ų36.549%0.49221%0.21SC..Hα-helixtrans-56.6-42.5176.4-71.1-26.9000111.5L649 D673 C680 K681L649-D677 HydrophobicContact CD1-CB 3.81Å; L649-D677 HydrophobicContact CD2-CB 3.78Å; L649-D677 HydrophobicContact CG-CB 4.47Å; D673-D677 PolarHBondContact O-N 2.89Å; D677-C680 PolarHBondContact O-N 2.99Å; D677-K681 WeakPolarHBondContact O-CB 3.38Å; D677-K681 PolarHBondContact O-N 3.08Å
678F95.9Very high91.4Very high2 Ų240.8 Ų40.81%0.00923%0.226CC..Hα-helixtrans-64.8-42.3177.7-178.1-98.9000112.4V648 L649 V657 L658 V661 F674 C676 C682 F707V648-F678 HydrophobicContact CG1-CD2 4.2Å; V648-F678 HydrophobicContact CG1-CE2 4.14Å; L649-F678 HydrophobicContact CD2-CB 3.85Å; L649-F678 HydrophobicContact CD2-CD2 4.44Å; V657-F678 HydrophobicContact CG1-CE2 3.67Å; V657-F678 HydrophobicContact CG1-CZ 4Å; L658-F678 HydrophobicContact CD1-CE1 3.95Å; L658-F678 HydrophobicContact CD1-CZ 4.24Å; V661-F678 HydrophobicContact CB-CE1 4.17Å; V661-F678 HydrophobicContact CB-CZ 4.1Å; V661-F678 HydrophobicContact CG1-CD1 4.01Å; V661-F678 HydrophobicContact CG1-CE1 3.81Å; V661-F678 HydrophobicContact CG1-CZ 4.2Å; V661-F678 HydrophobicContact CG2-CD2 4.48Å; V661-F678 HydrophobicContact CG2-CE1 4.39Å; V661-F678 HydrophobicContact CG2-CE2 3.99Å; V661-F678 HydrophobicContact CG2-CZ 3.93Å; F674-F678 WeakPolarHBondContact O-CB 3.37Å; F674-F678 PolarHBondContact O-N 3.17Å; C676-F678 VanDerWaalsContact C-N 3.28Å; C676-F678 PolarHBondContact O-N 3.49Å; F678-C682 WeakPolarHBondContact O-CB 3.29Å; F678-C682 PolarHBondContact O-N 3.23Å; F678-C682 PolarHBondContact O-SG 3.18Å; F678-F707 HydrophobicContact CD1-CE1 4.03Å; F678-F707 AromaticContact CE1-CE1 3.87Å; F678-F707 HydrophobicContact CE1-CE1 3.87Å
679L95.8Very high91.9Very high0 Ų041.5 Ų41.50%023%0.231CC..Hα-helixtrans-68.5-43.6174.8-76.8-179.1000112L675 C676 K681 C682 Y683 F707 L711 I717 I722L675-L679 WeakPolarHBondContact O-CB 3.46Å; L675-L679 WeakPolarHBondContact O-CG 3.36Å; L675-L679 PolarHBondContact O-N 2.91Å; L675-L679 VanDerWaalsContact O-N 3.09Å; C676-L679 PolarHBondContact O-N 3.32Å; C676-L679 VanDerWaalsContact O-N 3.16Å; L679-K681 VanDerWaalsContact C-N 3.28Å; L679-K681 PolarHBondContact O-N 3.11Å; L679-C682 CarbonylContact O-C 3.58Å; L679-C682 WeakPolarHBondContact O-CA 3.2Å; L679-C682 WeakPolarHBondContact O-CB 3.36Å; L679-C682 PolarHBondContact O-N 3.13Å; L679-Y683 HydrophobicContact CB-CE2 3.96Å; L679-Y683 VanDerWaalsContact O-CD2 3.25Å; L679-Y683 WeakPolarHBondContact O-CD2 3.47Å; L679-Y683 PolarHBondContact O-N 3.12Å; L679-F707 HydrophobicContact CD2-CD1 3.83Å; L679-F707 HydrophobicContact CD2-CE1 4Å; L679-L711 HydrophobicContact CD1-CD1 3.79Å; L679-L711 HydrophobicContact CD2-CD1 4.42Å; L679-L711 HydrophobicContact CG-CD1 4.32Å; L679-I717 HydrophobicContact CD1-CD1 3.51Å; L679-I717 HydrophobicContact CG-CD1 4.48Å; L679-I722 HydrophobicContact CB-CD1 4.39Å; L679-I722 HydrophobicContact CD1-CD1 3.42Å; L679-I722 VanDerWaalsContact CD1-CD1 3.42Å
680C94.7Very high92.2Very high33 Ų3341.7 Ų41.722%0.22324%0.242CC..Hα-helixtrans-60.7-37175.7-70.80000111.9C676 D677 S684C676-C680 WeakPolarHBondContact O-CB 3.46Å; C676-C680 PolarHBondContact O-N 2.94Å; C676-C680 PolarHBondContact O-SG 3.15Å; C676-C680 VanDerWaalsContact O-SG 3.35Å; D677-C680 PolarHBondContact O-N 2.99Å; C680-S684 VanDerWaalsContact O-CB 3.28Å; C680-S684 WeakPolarHBondContact O-CB 3.44Å; C680-S684 PolarHBondContact O-N 2.95Å; C680-S684 PolarHBondContact O-OG 2.94Å
681K95Very high92.1Very high49 Ų4941.7 Ų41.721%0.21324%0.242CC..Hα-helixtrans-62.9-51.3168.2-172.6176.2-171.9178.30111.4L649 D650 M651 V653 D677 L679 Y683 S684 T685L649-K681 VanDerWaalsContact O-CD 3.27Å; L649-K681 WeakPolarHBondContact O-CD 3.22Å; L649-K681 WeakPolarHBondContact O-CE 3.1Å; L649-K681 PolarHBondContact O-NZ 2.85Å; D650-K681 PolarHBondContact O-NZ 3.33Å; M651-K681 PolarHBondContact O-NZ 3.05Å; V653-K681 HydrophobicContact CG2-CD 4.16Å; V653-K681 HydrophobicContact CG2-CG 4.03Å; D677-K681 WeakPolarHBondContact O-CB 3.38Å; D677-K681 PolarHBondContact O-N 3.08Å; L679-K681 VanDerWaalsContact C-N 3.28Å; L679-K681 PolarHBondContact O-N 3.11Å; K681-Y683 VanDerWaalsContact C-N 3.31Å; K681-Y683 PolarHBondContact O-N 3.4Å; K681-S684 PolarHBondContact O-N 3.2Å; K681-S684 VanDerWaalsContact O-N 3.16Å; K681-T685 PolarHBondContact O-N 3.42Å; K681-T685 PolarHBondContact O-OG1 2.85Å; K681-T685 VanDerWaalsContact O-OG1 3.1Å
682C95.7Very high91.6Very high0 Ų045.6 Ų45.60%026%0.261CS..Hα-helixtrans-55.1-43.8178.7-71.80000112.6V653 F678 L679 Y686 I704V653-C682 VanDerWaalsContact CG1-SG 3.59Å; F678-C682 WeakPolarHBondContact O-CB 3.29Å; F678-C682 PolarHBondContact O-N 3.23Å; F678-C682 PolarHBondContact O-SG 3.18Å; L679-C682 CarbonylContact O-C 3.58Å; L679-C682 WeakPolarHBondContact O-CA 3.2Å; L679-C682 WeakPolarHBondContact O-CB 3.36Å; L679-C682 PolarHBondContact O-N 3.13Å; C682-Y686 WeakPolarHBondContact O-CD2 3.31Å; C682-Y686 PolarHBondContact O-N 3.21Å; C682-I704 HydrophobicContact CB-CD1 4.01Å; C682-I704 HydrophobicContact CB-CG1 4.21Å; C682-I704 HydrophobicContact CB-CG2 4.14Å
683Y95.4Very high90.7Very high7 Ų749.3 Ų49.33%0.02728%0.279CS..Hα-helixtrans-65.5-48.9175.8-55.9-33.6000111.1L679 K681 T685 Y686 V687 I704 T708 I722 E725 A726 F729L679-Y683 HydrophobicContact CB-CE2 3.96Å; L679-Y683 VanDerWaalsContact O-CD2 3.25Å; L679-Y683 WeakPolarHBondContact O-CD2 3.47Å; L679-Y683 PolarHBondContact O-N 3.12Å; K681-Y683 VanDerWaalsContact C-N 3.31Å; K681-Y683 PolarHBondContact O-N 3.4Å; Y683-T685 VanDerWaalsContact C-N 3.31Å; Y683-T685 PolarHBondContact O-N 3.33Å; Y683-Y686 PolarHBondContact O-N 2.75Å; Y683-Y686 VanDerWaalsContact O-N 3.14Å; Y683-V687 VanDerWaalsContact O-CB 3.26Å; Y683-V687 WeakPolarHBondContact O-CB 3.49Å; Y683-V687 WeakPolarHBondContact O-CG1 3.29Å; Y683-V687 PolarHBondContact O-N 3.47Å; Y683-I704 HydrophobicContact CD1-CG2 3.94Å; Y683-I704 HydrophobicContact CE1-CG2 3.72Å; Y683-T708 WeakPolarHBondContact OH-CG2 3.35Å; Y683-T708 PolarHBondContact OH-OG1 3.08Å; Y683-I722 HydrophobicContact CE2-CD1 4.41Å; Y683-E725 HydrophobicContact CD2-CB 3.82Å; Y683-E725 HydrophobicContact CE2-CB 4.37Å; Y683-A726 HydrophobicContact CE2-CB 3.98Å; Y683-F729 HydrophobicContact CD1-CB 3.91Å; Y683-F729 AromaticContact CD1-CD1 3.48Å; Y683-F729 HydrophobicContact CD1-CD1 3.48Å; Y683-F729 VanDerWaalsContact CD1-CD1 3.48Å; Y683-F729 AromaticContact CD1-CD2 3.8Å; Y683-F729 HydrophobicContact CD1-CD2 3.8Å; Y683-F729 AromaticContact CD1-CE1 3.82Å; Y683-F729 HydrophobicContact CD1-CE1 3.82Å; Y683-F729 HydrophobicContact CD1-CE2 4.12Å; Y683-F729 AromaticContact CD1-CG 3.45Å; Y683-F729 HydrophobicContact CD1-CG 3.45Å; Y683-F729 VanDerWaalsContact CD1-CG 3.45Å; Y683-F729 HydrophobicContact CD1-CZ 4.12Å; Y683-F729 AromaticContact CE1-CD1 3.81Å; Y683-F729 HydrophobicContact CE1-CD1 3.81Å; Y683-F729 HydrophobicContact CE1-CE1 4.13Å; Y683-F729 HydrophobicContact CE1-CG 4.19Å; Y683-F729 HydrophobicContact CG-CB 4.04Å; Y683-F729 HydrophobicContact CG-CD1 4.43Å; Y683-F729 HydrophobicContact CG-CD2 4.18Å; Y683-F729 AromaticContact CG-CG 3.98Å; Y683-F729 HydrophobicContact CG-CG 3.98Å
684S94.2Very high89.6Confident92 Ų9252.8 Ų52.864%0.64329%0.291SS*.Hα-helixtrans-60.4-37.7-179.4-59.40000113.1C680 K681C680-S684 VanDerWaalsContact O-CB 3.28Å; C680-S684 WeakPolarHBondContact O-CB 3.44Å; C680-S684 PolarHBondContact O-N 2.95Å; C680-S684 PolarHBondContact O-OG 2.94Å; K681-S684 PolarHBondContact O-N 3.2Å; K681-S684 VanDerWaalsContact O-N 3.16Å
685T93.6Very high88.7Confident61 Ų6153.6 Ų53.637%0.37430%0.298SS..Hα-helixtrans-68.8-34.9176.3-60.50000112.7K681 Y683K681-T685 PolarHBondContact O-N 3.42Å; K681-T685 PolarHBondContact O-OG1 2.85Å; K681-T685 VanDerWaalsContact O-OG1 3.1Å; Y683-T685 VanDerWaalsContact C-N 3.31Å; Y683-T685 PolarHBondContact O-N 3.33Å
686Y93.8Very high87.9Confident20 Ų2058.3 Ų58.38%0.07833%0.328CS..Hα-helixtrans-110.3-15.7-169-75.3-66.9000116.5V653 C682 Y683 N688 V689 Y697 I700 V701 I704 H733V653-Y686 HydrophobicContact CB-CE2 4.05Å; V653-Y686 HydrophobicContact CG1-CE2 3.89Å; V653-Y686 PolarHBondContact O-OH 2.63Å; V653-Y686 VanDerWaalsContact O-OH 3.11Å; C682-Y686 WeakPolarHBondContact O-CD2 3.31Å; C682-Y686 PolarHBondContact O-N 3.21Å; Y683-Y686 PolarHBondContact O-N 2.75Å; Y683-Y686 VanDerWaalsContact O-N 3.14Å; Y686-N688 PolarHBondContact O-N 3.14Å; Y686-N688 VanDerWaalsContact O-N 3.08Å; Y686-V689 HydrophobicContact CD1-CB 4.22Å; Y686-V689 HydrophobicContact CD1-CG1 4.44Å; Y686-V689 HydrophobicContact CD1-CG2 3.99Å; Y686-V689 VanDerWaalsContact O-CB 3.31Å; Y686-V689 WeakPolarHBondContact O-CB 3.16Å; Y686-V689 PolarHBondContact O-N 2.96Å; Y686-Y697 AromaticContact CE1-CD1 3.72Å; Y686-Y697 HydrophobicContact CE1-CD1 3.72Å; Y686-Y697 HydrophobicContact CE1-CE1 4.36Å; Y686-Y697 HydrophobicContact CE1-CG 4.4Å; Y686-I700 HydrophobicContact CD2-CG2 4.25Å; Y686-I700 HydrophobicContact CE1-CG2 4.37Å; Y686-I700 HydrophobicContact CE2-CG2 3.64Å; Y686-I700 WeakPolarHBondContact OH-CD1 3.39Å; Y686-V701 HydrophobicContact CD1-CG2 4.36Å; Y686-V701 HydrophobicContact CG-CG2 4.3Å; Y686-I704 HydrophobicContact CD2-CD1 3.42Å; Y686-I704 VanDerWaalsContact CD2-CD1 3.42Å; Y686-I704 HydrophobicContact CE2-CD1 4Å; Y686-I704 HydrophobicContact CG-CD1 4.14Å; Y686-H733 PolarHBondContact O-NE2 2.94Å
687V92.9Very high87.6Confident15 Ų1562.6 Ų62.69%0.09134%0.343CS..THydrogen-bonded Turntrans-52.6-37.1-173.461.30000114.2Y683 F729 S732 H733Y683-V687 VanDerWaalsContact O-CB 3.26Å; Y683-V687 WeakPolarHBondContact O-CB 3.49Å; Y683-V687 WeakPolarHBondContact O-CG1 3.29Å; Y683-V687 PolarHBondContact O-N 3.47Å; V687-F729 HydrophobicContact CB-CD2 4.06Å; V687-S732 WeakPolarHBondContact CG2-OG 3.16Å; V687-S732 VanDerWaalsContact O-CB 3.24Å; V687-S732 WeakPolarHBondContact O-CB 3.34Å; V687-H733 PolarHBondContact O-NE2 2.78Å
688N89.4Confident87.4Confident143 Ų14361.1 Ų61.177%0.76533%0.332SS*.THydrogen-bonded Turntrans-94.77.6-178.5-65.3-34.1000113.7Y686Y686-N688 PolarHBondContact O-N 3.14Å; Y686-N688 VanDerWaalsContact O-N 3.08Å
689V88.8Confident87.1Confident29 Ų2968 Ų6818%0.17636%0.358CS..SBendtrans-93.8120.7-173.5-178.70000110.6Y686 T691 Y697 H733Y686-V689 HydrophobicContact CD1-CB 4.22Å; Y686-V689 HydrophobicContact CD1-CG1 4.44Å; Y686-V689 HydrophobicContact CD1-CG2 3.99Å; Y686-V689 VanDerWaalsContact O-CB 3.31Å; Y686-V689 WeakPolarHBondContact O-CB 3.16Å; Y686-V689 PolarHBondContact O-N 2.96Å; V689-T691 PolarHBondContact O-N 3.01Å; V689-Y697 HydrophobicContact CG1-CD1 4.3Å; V689-Y697 HydrophobicContact CG1-CD2 3.31Å; V689-Y697 HydrophobicContact CG1-CE2 4.02Å; V689-Y697 HydrophobicContact CG1-CG 3.46Å; V689-Y697 VanDerWaalsContact CG1-CG 3.46Å; V689-H733 PolarHBondContact N-NE2 2.86Å; V689-H733 PolarHBondContact O-NE2 2.86Å
690P85.1Confident86.8Confident97 Ų9768.9 Ų68.963%0.6336%0.362SS*.  trans-69.2116.7-173.625.5-33.8000112.9N692 S695P690-N692 VanDerWaalsContact C-N 3.31Å; P690-N692 PolarHBondContact O-N 2.93Å; P690-S695 WeakPolarHBondContact O-CB 3.45Å; P690-S695 PolarHBondContact O-OG 3.44Å
691T81.6Confident86.8Confident3 Ų367.3 Ų67.32%0.01835%0.352CS..  trans-9130.2-175.951.60000114.1V689 S695 V701 H733 N735 L736V689-T691 PolarHBondContact O-N 3.01Å; T691-S695 WeakPolarHBondContact CA-OG 3.17Å; T691-V701 HydrophobicContact CG2-CB 3.82Å; T691-V701 HydrophobicContact CG2-CG1 3.97Å; T691-V701 HydrophobicContact CG2-CG2 3.66Å; T691-H733 PolarHBondContact OG1-CE1 2.82Å; T691-N735 PolarHBondContact O-ND2 2.91Å; T691-N735 PolarHBondContact OG1-ND2 3.23Å; T691-N735 PolarHBondContact OG1-OD1 3.03Å; T691-L736 HydrophobicContact CG2-CD1 4.28Å
692N77.6Confident86.6Confident117 Ų11766.9 Ų66.963%0.62635%0.353SS*.  trans-62.2161.8177.3-162.33.1000111.6P690 Q694 S695P690-N692 VanDerWaalsContact C-N 3.31Å; P690-N692 PolarHBondContact O-N 2.93Å; N692-Q694 PolarHBondContact O-N 3.09Å; N692-S695 WeakPolarHBondContact O-CB 3.38Å; N692-S695 PolarHBondContact O-N 3.4Å; N692-S695 PolarHBondContact O-OG 3.07Å
693D68.8Low86.5Confident126 Ų12669.5 Ų69.567%0.67437%0.367SS*.THydrogen-bonded Turntrans-57.1-25.8-166.5-80.9-14.8000115.9K698D693-K698 IonicContact OD1-NZ 2.91Å; D693-K698 PolarHBondContact OD1-NZ 3.36Å
694Q67.6Low86.4Confident195 Ų19569.2 Ų69.291%0.91137%0.366SS*.THydrogen-bonded Turntrans-95.8-0.1177.7-61.3-173.2500114.1N692N692-Q694 PolarHBondContact O-N 3.09Å
695S75.4Confident86.4Confident25 Ų2565 Ų6518%0.17534%0.336CS..  trans-79.6134.9-17682.80000112.1P690 T691 N692 Y697 K698P690-S695 WeakPolarHBondContact O-CB 3.45Å; P690-S695 PolarHBondContact O-OG 3.44Å; T691-S695 WeakPolarHBondContact CA-OG 3.17Å; N692-S695 WeakPolarHBondContact O-CB 3.38Å; N692-S695 PolarHBondContact O-N 3.4Å; N692-S695 PolarHBondContact O-OG 3.07Å; S695-Y697 PolarHBondContact O-N 3.06Å; S695-K698 WeakPolarHBondContact O-CB 3.45Å; S695-K698 PolarHBondContact O-N 2.82Å; S695-K698 PolarHBondContact OG-N 3.43Å
696P77.8Confident86.4Confident100 Ų10063.1 Ų63.165%0.64933%0.326SS*.THydrogen-bonded Turntrans-64-28.817826.8-34.2000111.5K698P696-K698 VanDerWaalsContact C-N 3.33Å; P696-K698 PolarHBondContact O-N 3.16Å
697Y86.4Confident86.3Confident108 Ų10862.3 Ų62.342%0.42432%0.323SS..Hα-helixtrans-72-20.7-178.9-52.3-65.6000113.9Y686 V689 S695 R699 I700 V701Y686-Y697 AromaticContact CE1-CD1 3.72Å; Y686-Y697 HydrophobicContact CE1-CD1 3.72Å; Y686-Y697 HydrophobicContact CE1-CE1 4.36Å; Y686-Y697 HydrophobicContact CE1-CG 4.4Å; V689-Y697 HydrophobicContact CG1-CD1 4.3Å; V689-Y697 HydrophobicContact CG1-CD2 3.31Å; V689-Y697 HydrophobicContact CG1-CE2 4.02Å; V689-Y697 HydrophobicContact CG1-CG 3.46Å; V689-Y697 VanDerWaalsContact CG1-CG 3.46Å; S695-Y697 PolarHBondContact O-N 3.06Å; Y697-R699 PolarHBondContact O-N 2.66Å; Y697-R699 VanDerWaalsContact O-N 3.14Å; Y697-I700 HydrophobicContact CD1-CD1 4.37Å; Y697-I700 PolarHBondContact O-N 3.12Å; Y697-V701 PolarHBondContact O-N 3.11Å
698K89.5Confident86.4Confident61 Ų6161.6 Ų61.627%0.26532%0.318SS..Hα-helixtrans-51.7-39.8176.4-173.7176.2-177.1-174.40111.8D693 S695 P696 T702 L736D693-K698 IonicContact OD1-NZ 2.91Å; D693-K698 PolarHBondContact OD1-NZ 3.36Å; S695-K698 WeakPolarHBondContact O-CB 3.45Å; S695-K698 PolarHBondContact O-N 2.82Å; S695-K698 PolarHBondContact OG-N 3.43Å; P696-K698 VanDerWaalsContact C-N 3.33Å; P696-K698 PolarHBondContact O-N 3.16Å; K698-T702 VanDerWaalsContact O-CB 3.26Å; K698-T702 WeakPolarHBondContact O-CB 3.41Å; K698-T702 PolarHBondContact O-N 3.43Å; K698-T702 PolarHBondContact O-OG1 2.72Å; K698-L736 HydrophobicContact CD-CD2 4.38Å; K698-L736 HydrophobicContact CG-CD2 4.11Å
699R89.2Confident86.5Confident147 Ų14756.9 Ų56.956%0.55529%0.293SS*.Hα-helixtrans-65.9-40.9175.9-178174.7176.7174.1-2.6112.8Y697 L703Y697-R699 PolarHBondContact O-N 2.66Å; Y697-R699 VanDerWaalsContact O-N 3.14Å; R699-L703 HydrophobicContact CG-CD1 4.15Å; R699-L703 VanDerWaalsContact O-CG 3.29Å; R699-L703 WeakPolarHBondContact O-CG 3.31Å; R699-L703 PolarHBondContact O-N 3.19Å
700I91.2Very high86.5Confident18 Ų1856.1 Ų56.19%0.09229%0.289CS..Hα-helixtrans-68.9-47.2-178.8-55-179000109.9L655 Y686 Y697 T702 L703 I704L655-I700 HydrophobicContact CD2-CG1 3.86Å; L655-I700 HydrophobicContact CG-CD1 4.29Å; L655-I700 HydrophobicContact CG-CG1 4.02Å; Y686-I700 HydrophobicContact CD2-CG2 4.25Å; Y686-I700 HydrophobicContact CE1-CG2 4.37Å; Y686-I700 HydrophobicContact CE2-CG2 3.64Å; Y686-I700 WeakPolarHBondContact OH-CD1 3.39Å; Y697-I700 HydrophobicContact CD1-CD1 4.37Å; Y697-I700 PolarHBondContact O-N 3.12Å; I700-T702 PolarHBondContact O-N 3Å; I700-L703 WeakPolarHBondContact O-CB 3.49Å; I700-L703 PolarHBondContact O-N 3.22Å; I700-L703 VanDerWaalsContact O-N 3.09Å; I700-I704 HydrophobicContact CG2-CD1 3.91Å; I700-I704 HydrophobicContact CG2-CG1 4.46Å; I700-I704 WeakPolarHBondContact O-CG1 3.38Å; I700-I704 PolarHBondContact O-N 2.98Å
701V93.1Very high86.8Confident0 Ų051.5 Ų51.50%026%0.259CS..Hα-helixtrans-61.5-43.4176.4174.90000111.8Y686 T691 Y697 L703 I704 I705 F729 H733 L736Y686-V701 HydrophobicContact CD1-CG2 4.36Å; Y686-V701 HydrophobicContact CG-CG2 4.3Å; T691-V701 HydrophobicContact CG2-CB 3.82Å; T691-V701 HydrophobicContact CG2-CG1 3.97Å; T691-V701 HydrophobicContact CG2-CG2 3.66Å; Y697-V701 PolarHBondContact O-N 3.11Å; V701-L703 VanDerWaalsContact C-N 3.26Å; V701-L703 PolarHBondContact O-N 3.27Å; V701-I704 PolarHBondContact O-N 2.83Å; V701-I705 HydrophobicContact CG1-CD1 3.77Å; V701-I705 HydrophobicContact CG1-CG1 4.35Å; V701-I705 VanDerWaalsContact O-CG1 3.29Å; V701-I705 WeakPolarHBondContact O-CG1 3.36Å; V701-I705 PolarHBondContact O-N 3.28Å; V701-F729 HydrophobicContact CG1-CE1 4.16Å; V701-F729 HydrophobicContact CG1-CZ 3.88Å; V701-F729 HydrophobicContact CG2-CZ 4.37Å; V701-H733 HydrophobicContact CG1-CB 4.16Å; V701-H733 WeakPolarHBondContact CG1-CD2 3.4Å; V701-L736 HydrophobicContact CB-CD1 4.33Å; V701-L736 HydrophobicContact CG1-CD1 3.67Å
702T92.1Very high87.2Confident40 Ų4052 Ų5225%0.24526%0.261CS..Hα-helixtrans-55.4-41.1173.1-60.50000111.6K698 I700 S706 Q738K698-T702 VanDerWaalsContact O-CB 3.26Å; K698-T702 WeakPolarHBondContact O-CB 3.41Å; K698-T702 PolarHBondContact O-N 3.43Å; K698-T702 PolarHBondContact O-OG1 2.72Å; I700-T702 PolarHBondContact O-N 3Å; T702-S706 WeakPolarHBondContact O-CB 3.5Å; T702-S706 PolarHBondContact O-N 3.39Å; T702-S706 PolarHBondContact O-OG 3.07Å; T702-Q738 PolarHBondContact O-OE1 3.49Å
703L92Very high87.6Confident56 Ų5652.7 Ų52.729%0.29326%0.26SS..Hα-helixtrans-71.2-39.9176.6-72166.6000112.5L655 L658 R699 I700 V701 S706 F707L655-L703 HydrophobicContact CD2-CD1 3.52Å; L658-L703 HydrophobicContact CD2-CB 3.64Å; R699-L703 HydrophobicContact CG-CD1 4.15Å; R699-L703 VanDerWaalsContact O-CG 3.29Å; R699-L703 WeakPolarHBondContact O-CG 3.31Å; R699-L703 PolarHBondContact O-N 3.19Å; I700-L703 WeakPolarHBondContact O-CB 3.49Å; I700-L703 PolarHBondContact O-N 3.22Å; I700-L703 VanDerWaalsContact O-N 3.09Å; V701-L703 VanDerWaalsContact C-N 3.26Å; V701-L703 PolarHBondContact O-N 3.27Å; L703-S706 PolarHBondContact O-N 2.94Å; L703-F707 WeakPolarHBondContact O-CB 3.25Å; L703-F707 PolarHBondContact O-N 2.9Å
704I94.6Very high88.4Confident0 Ų051.8 Ų51.80%025%0.247CC..Hα-helixtrans-61.9-44.8175.9-69163.9000110.9L658 C682 Y683 Y686 I700 V701 F707 T708 F729L658-I704 HydrophobicContact CD2-CG1 3.94Å; C682-I704 HydrophobicContact CB-CD1 4.01Å; C682-I704 HydrophobicContact CB-CG1 4.21Å; C682-I704 HydrophobicContact CB-CG2 4.14Å; Y683-I704 HydrophobicContact CD1-CG2 3.94Å; Y683-I704 HydrophobicContact CE1-CG2 3.72Å; Y686-I704 HydrophobicContact CD2-CD1 3.42Å; Y686-I704 VanDerWaalsContact CD2-CD1 3.42Å; Y686-I704 HydrophobicContact CE2-CD1 4Å; Y686-I704 HydrophobicContact CG-CD1 4.14Å; I700-I704 HydrophobicContact CG2-CD1 3.91Å; I700-I704 HydrophobicContact CG2-CG1 4.46Å; I700-I704 WeakPolarHBondContact O-CG1 3.38Å; I700-I704 PolarHBondContact O-N 2.98Å; V701-I704 PolarHBondContact O-N 2.83Å; I704-F707 PolarHBondContact O-N 3.14Å; I704-T708 WeakPolarHBondContact O-CB 3.41Å; I704-T708 PolarHBondContact O-N 2.92Å; I704-T708 PolarHBondContact O-OG1 3.01Å; I704-F729 HydrophobicContact CB-CE1 4.4Å; I704-F729 HydrophobicContact CB-CZ 4.37Å; I704-F729 HydrophobicContact CG2-CE1 3.74Å; I704-F729 HydrophobicContact CG2-CZ 3.87Å
705I94.6Very high89.1Confident3 Ų352.6 Ų52.62%0.01524%0.242CC..Hα-helixtrans-61.6-48.9175.9-64.2161000110.3V701 F707 T708 D709 F729 L736 Q738 A739 L742V701-I705 HydrophobicContact CG1-CD1 3.77Å; V701-I705 HydrophobicContact CG1-CG1 4.35Å; V701-I705 VanDerWaalsContact O-CG1 3.29Å; V701-I705 WeakPolarHBondContact O-CG1 3.36Å; V701-I705 PolarHBondContact O-N 3.28Å; I705-F707 VanDerWaalsContact C-N 3.34Å; I705-F707 PolarHBondContact O-N 3.07Å; I705-T708 WeakPolarHBondContact O-CB 3.44Å; I705-T708 PolarHBondContact O-N 3.48Å; I705-D709 PolarHBondContact O-N 3.22Å; I705-F729 HydrophobicContact CG1-CE1 3.99Å; I705-L736 HydrophobicContact CD1-CD1 3.93Å; I705-Q738 HydrophobicContact CG2-CB 3.77Å; I705-A739 HydrophobicContact CD1-CB 3.85Å; I705-L742 HydrophobicContact CG2-CB 4.22Å; I705-L742 HydrophobicContact CG2-CD2 3.93Å
706S91.8Very high89.4Confident22 Ų2252 Ų5215%0.15424%0.237CC..Hα-helixtrans-65.3-36.7-179.6-580000112.5W368 T702 L703 S710 Q738W368-S706 VanDerWaalsContact CZ2-CB 3.44Å; T702-S706 WeakPolarHBondContact O-CB 3.5Å; T702-S706 PolarHBondContact O-N 3.39Å; T702-S706 PolarHBondContact O-OG 3.07Å; L703-S706 PolarHBondContact O-N 2.94Å; S706-S710 WeakPolarHBondContact O-CB 3.46Å; S706-S710 PolarHBondContact O-N 3.27Å; S706-Q738 PolarHBondContact OG-OE1 3Å
707F93.4Very high89.8Confident4 Ų447.5 Ų47.52%0.01821%0.207CC..Hα-helixtrans-66.9-46176177.6-124.3000111.2L658 V661 N662 V665 F678 L679 L703 I704 I705 D709 S710 L711L658-F707 HydrophobicContact CD1-CD1 3.79Å; L658-F707 HydrophobicContact CD1-CE1 4.25Å; L658-F707 HydrophobicContact CD1-CG 4.24Å; V661-F707 HydrophobicContact CG1-CE1 4.32Å; V661-F707 HydrophobicContact CG1-CZ 3.82Å; N662-F707 HydrophobicContact CB-CD2 3.92Å; N662-F707 HydrophobicContact CB-CE2 3.91Å; N662-F707 WeakPolarHBondContact OD1-CD2 3.26Å; V665-F707 HydrophobicContact CB-CE2 4.26Å; V665-F707 HydrophobicContact CG1-CE2 4.11Å; V665-F707 HydrophobicContact CG2-CE2 4.21Å; V665-F707 HydrophobicContact CG2-CZ 4.12Å; F678-F707 HydrophobicContact CD1-CE1 4.03Å; F678-F707 AromaticContact CE1-CE1 3.87Å; F678-F707 HydrophobicContact CE1-CE1 3.87Å; L679-F707 HydrophobicContact CD2-CD1 3.83Å; L679-F707 HydrophobicContact CD2-CE1 4Å; L703-F707 WeakPolarHBondContact O-CB 3.25Å; L703-F707 PolarHBondContact O-N 2.9Å; I704-F707 PolarHBondContact O-N 3.14Å; I705-F707 VanDerWaalsContact C-N 3.34Å; I705-F707 PolarHBondContact O-N 3.07Å; F707-D709 PolarHBondContact O-N 3.32Å; F707-S710 WeakPolarHBondContact O-CB 3.48Å; F707-S710 PolarHBondContact O-N 2.87Å; F707-S710 VanDerWaalsContact O-N 3.16Å; F707-S710 PolarHBondContact O-OG 2.71Å; F707-L711 HydrophobicContact CD1-CD1 4.01Å; F707-L711 HydrophobicContact CD2-CD1 4.25Å; F707-L711 HydrophobicContact CD2-CG 4.43Å; F707-L711 HydrophobicContact CE1-CD1 3.64Å; F707-L711 HydrophobicContact CE2-CD1 3.9Å; F707-L711 HydrophobicContact CE2-CD2 4.37Å; F707-L711 HydrophobicContact CE2-CG 4.09Å; F707-L711 HydrophobicContact CG-CD1 4.3Å; F707-L711 HydrophobicContact CZ-CD1 3.59Å; F707-L711 HydrophobicContact CZ-CD2 4.41Å; F707-L711 HydrophobicContact CZ-CG 4.22Å; F707-L711 WeakPolarHBondContact O-CG 3.41Å; F707-L711 PolarHBondContact O-N 3.33Å
708T94.1Very high89.7Confident0 Ų046.7 Ų46.70%021%0.21CC..Hα-helixtrans-53.9-53.4173.3-570000111.1Y683 I704 I705 S710 L711 F712 L742Y683-T708 WeakPolarHBondContact OH-CG2 3.35Å; Y683-T708 PolarHBondContact OH-OG1 3.08Å; I704-T708 WeakPolarHBondContact O-CB 3.41Å; I704-T708 PolarHBondContact O-N 2.92Å; I704-T708 PolarHBondContact O-OG1 3.01Å; I705-T708 WeakPolarHBondContact O-CB 3.44Å; I705-T708 PolarHBondContact O-N 3.48Å; T708-S710 VanDerWaalsContact C-N 3.28Å; T708-S710 PolarHBondContact O-N 3.42Å; T708-L711 WeakPolarHBondContact O-CB 3.49Å; T708-L711 PolarHBondContact O-N 3.38Å; T708-L711 VanDerWaalsContact O-N 3.14Å; T708-F712 HydrophobicContact CG2-CD2 4.13Å; T708-F712 HydrophobicContact CG2-CE2 3.48Å; T708-F712 VanDerWaalsContact CG2-CE2 3.48Å; T708-F712 HydrophobicContact CG2-CZ 3.73Å; T708-F712 PolarHBondContact O-N 3.03Å; T708-F712 VanDerWaalsContact O-N 3.16Å; T708-L742 HydrophobicContact CG2-CD1 4.47Å; T708-L742 HydrophobicContact CG2-CD2 3.8Å
709D91.2Very high89.5Confident43 Ų4345.1 Ų45.123%0.2321%0.206CC..Hα-helixtrans-63-36.5179.4-171.742.7000111.9I705 F707 L711 F712 Q713 L742 K745I705-D709 PolarHBondContact O-N 3.22Å; F707-D709 PolarHBondContact O-N 3.32Å; D709-L711 VanDerWaalsContact C-N 3.32Å; D709-L711 PolarHBondContact O-N 3Å; D709-F712 PolarHBondContact O-N 2.81Å; D709-Q713 WeakPolarHBondContact O-CB 3.21Å; D709-Q713 VanDerWaalsContact O-CG 3.28Å; D709-Q713 WeakPolarHBondContact O-CG 3.37Å; D709-Q713 PolarHBondContact O-N 3.28Å; D709-Q713 PolarHBondContact OD2-NE2 3.19Å; D709-L742 HydrophobicContact CB-CD1 4.14Å; D709-K745 WeakPolarHBondContact OD1-CD 3.42Å; D709-K745 IonicContact OD1-NZ 2.81Å; D709-K745 PolarHBondContact OD1-NZ 3.26Å
710S90.2Very high89.3Confident14 Ų1442.7 Ų42.710%0.09821%0.208CC..Hα-helixtrans-63.6-34.8175.7850000113.3S706 F707 T708 R714S706-S710 WeakPolarHBondContact O-CB 3.46Å; S706-S710 PolarHBondContact O-N 3.27Å; F707-S710 WeakPolarHBondContact O-CB 3.48Å; F707-S710 PolarHBondContact O-N 2.87Å; F707-S710 VanDerWaalsContact O-N 3.16Å; F707-S710 PolarHBondContact O-OG 2.71Å; T708-S710 VanDerWaalsContact C-N 3.28Å; T708-S710 PolarHBondContact O-N 3.42Å; S710-R714 WeakPolarHBondContact O-CB 3.31Å; S710-R714 WeakPolarHBondContact O-CD 3.29Å; S710-R714 WeakPolarHBondContact O-CG 3.37Å; S710-R714 PolarHBondContact O-N 3.09Å
711L90.9Very high89.1Confident0 Ų045 Ų450%023%0.225CC..Hα-helixtrans-68.7-42.6176.4-75.6161.5000111.3V665 L675 L679 F707 T708 D709 R714 R715 M716 I717V665-L711 HydrophobicContact CG1-CD2 3.63Å; V665-L711 HydrophobicContact CG2-CD2 4.32Å; L675-L711 HydrophobicContact CD1-CD2 4.23Å; L679-L711 HydrophobicContact CD1-CD1 3.79Å; L679-L711 HydrophobicContact CD2-CD1 4.42Å; L679-L711 HydrophobicContact CG-CD1 4.32Å; F707-L711 HydrophobicContact CD1-CD1 4.01Å; F707-L711 HydrophobicContact CD2-CD1 4.25Å; F707-L711 HydrophobicContact CD2-CG 4.43Å; F707-L711 HydrophobicContact CE1-CD1 3.64Å; F707-L711 HydrophobicContact CE2-CD1 3.9Å; F707-L711 HydrophobicContact CE2-CD2 4.37Å; F707-L711 HydrophobicContact CE2-CG 4.09Å; F707-L711 HydrophobicContact CG-CD1 4.3Å; F707-L711 HydrophobicContact CZ-CD1 3.59Å; F707-L711 HydrophobicContact CZ-CD2 4.41Å; F707-L711 HydrophobicContact CZ-CG 4.22Å; F707-L711 WeakPolarHBondContact O-CG 3.41Å; F707-L711 PolarHBondContact O-N 3.33Å; T708-L711 WeakPolarHBondContact O-CB 3.49Å; T708-L711 PolarHBondContact O-N 3.38Å; T708-L711 VanDerWaalsContact O-N 3.14Å; D709-L711 VanDerWaalsContact C-N 3.32Å; D709-L711 PolarHBondContact O-N 3Å; L711-R714 CarbonylContact O-C 3.58Å; L711-R714 PolarHBondContact O-N 2.89Å; L711-R715 PolarHBondContact O-N 3.15Å; L711-R715 VanDerWaalsContact O-N 3.07Å; L711-M716 HydrophobicContact CD2-CB 3.88Å; L711-M716 HydrophobicContact CD2-SD 4.4Å; L711-M716 PolarHBondContact O-N 2.96Å; L711-I717 HydrophobicContact CB-CD1 4.3Å; L711-I717 HydrophobicContact CB-CG1 4.39Å; L711-I717 HydrophobicContact CD1-CD1 3.87Å; L711-I717 HydrophobicContact CG-CD1 4.48Å
712F89.7Confident89Confident13 Ų1345.1 Ų45.16%0.05723%0.226CC..Hα-helixtrans-65.1-45.4172.9-60.4-29.4000111.9T708 D709 R714 R715 I717 P719 I722 L742 L746T708-F712 HydrophobicContact CG2-CD2 4.13Å; T708-F712 HydrophobicContact CG2-CE2 3.48Å; T708-F712 VanDerWaalsContact CG2-CE2 3.48Å; T708-F712 HydrophobicContact CG2-CZ 3.73Å; T708-F712 PolarHBondContact O-N 3.03Å; T708-F712 VanDerWaalsContact O-N 3.16Å; D709-F712 PolarHBondContact O-N 2.81Å; F712-R714 PolarHBondContact O-N 3.09Å; F712-R715 PolarHBondContact O-N 2.98Å; F712-I717 HydrophobicContact CD1-CB 4.47Å; F712-I717 HydrophobicContact CE1-CB 4.39Å; F712-I717 HydrophobicContact CE1-CG2 4.29Å; F712-P719 HydrophobicContact CB-CG 4.48Å; F712-P719 HydrophobicContact CD1-CB 4.36Å; F712-P719 HydrophobicContact CD1-CG 3.89Å; F712-P719 HydrophobicContact CE1-CB 4.21Å; F712-P719 HydrophobicContact CE1-CG 4.24Å; F712-P719 HydrophobicContact CG-CG 4.11Å; F712-P719 HydrophobicContact CZ-CB 4.37Å; F712-I722 HydrophobicContact CE1-CD1 3.88Å; F712-I722 HydrophobicContact CE1-CG1 4.12Å; F712-I722 HydrophobicContact CZ-CD1 3.79Å; F712-I722 HydrophobicContact CZ-CG1 3.98Å; F712-L742 HydrophobicContact CD2-CD1 4.01Å; F712-L742 HydrophobicContact CE2-CD1 3.97Å; F712-L746 HydrophobicContact CE2-CD2 3.76Å; F712-L746 HydrophobicContact CE2-CG 4.38Å; F712-L746 HydrophobicContact CZ-CD2 4.1Å
713Q86.8Confident88.9Confident131 Ų13145 Ų4561%0.61222%0.22SC*.Hα-helixtrans-59.7-31.2175.9-74.5-175.132.800112.9D709D709-Q713 WeakPolarHBondContact O-CB 3.21Å; D709-Q713 VanDerWaalsContact O-CG 3.28Å; D709-Q713 WeakPolarHBondContact O-CG 3.37Å; D709-Q713 PolarHBondContact O-N 3.28Å; D709-Q713 PolarHBondContact OD2-NE2 3.19Å
714R84.1Confident88.8Confident107 Ų10745.4 Ų45.440%0.40423%0.228SC..THydrogen-bonded Turntrans-86.6-6.2175.4-68.4168.2-173.2-119.614.6113.9T666 S710 L711 F712 M716T666-R714 PolarHBondContact OG1-NH2 3.36Å; S710-R714 WeakPolarHBondContact O-CB 3.31Å; S710-R714 WeakPolarHBondContact O-CD 3.29Å; S710-R714 WeakPolarHBondContact O-CG 3.37Å; S710-R714 PolarHBondContact O-N 3.09Å; L711-R714 CarbonylContact O-C 3.58Å; L711-R714 PolarHBondContact O-N 2.89Å; F712-R714 PolarHBondContact O-N 3.09Å; R714-M716 VanDerWaalsContact C-N 3.27Å; R714-M716 HydrophobicContact CB-CG 3.85Å; R714-M716 HydrophobicContact CB-SD 4.04Å; R714-M716 PolarHBondContact O-N 3.43Å
715R83.6Confident88.7Confident213 Ų21349.5 Ų49.580%0.80425%0.247SC*.THydrogen-bonded Turntrans52.641.1-171.1-57.3-175.2177.9-154.1-3.4113.1L711 F712L711-R715 PolarHBondContact O-N 3.15Å; L711-R715 VanDerWaalsContact O-N 3.07Å; F712-R715 PolarHBondContact O-N 2.98Å
716M81.3Confident88.7Confident13 Ų1349.3 Ų49.36%0.06425%0.246CC..SBendtrans-91.3-16.1176.3-68.7-178.369.400113.1V665 F669 L675 L711 R714V665-M716 HydrophobicContact CB-CE 4.37Å; V665-M716 HydrophobicContact CG1-CE 3.81Å; V665-M716 HydrophobicContact CG1-SD 3.79Å; V665-M716 HydrophobicContact CG2-CE 4.46Å; F669-M716 HydrophobicContact CD1-CE 4.29Å; L675-M716 HydrophobicContact CD1-CE 4.35Å; L711-M716 HydrophobicContact CD2-CB 3.88Å; L711-M716 HydrophobicContact CD2-SD 4.4Å; L711-M716 PolarHBondContact O-N 2.96Å; R714-M716 VanDerWaalsContact C-N 3.27Å; R714-M716 HydrophobicContact CB-CG 3.85Å; R714-M716 HydrophobicContact CB-SD 4.04Å; R714-M716 PolarHBondContact O-N 3.43Å
717I86.1Confident88.7Confident5 Ų549.7 Ų49.73%0.02625%0.246CC..SBendtrans-136.2143.7169.5-56.2-180000106.6L675 L679 L711 F712 C721 I722L675-I717 HydrophobicContact CB-CD1 3.77Å; L675-I717 HydrophobicContact CB-CG1 4.08Å; L679-I717 HydrophobicContact CD1-CD1 3.51Å; L679-I717 HydrophobicContact CG-CD1 4.48Å; L711-I717 HydrophobicContact CB-CD1 4.3Å; L711-I717 HydrophobicContact CB-CG1 4.39Å; L711-I717 HydrophobicContact CD1-CD1 3.87Å; L711-I717 HydrophobicContact CG-CD1 4.48Å; F712-I717 HydrophobicContact CD1-CB 4.47Å; F712-I717 HydrophobicContact CE1-CB 4.39Å; F712-I717 HydrophobicContact CE1-CG2 4.29Å; I717-C721 WeakPolarHBondContact CG2-SG 3.15Å; I717-I722 HydrophobicContact CD1-CD1 4.43Å; I717-I722 HydrophobicContact CG2-CD1 4.2Å; I717-I722 HydrophobicContact CG2-CG1 4.37Å
718D83.7Confident88.7Confident90 Ų9054.7 Ų54.748%0.48127%0.269SS..  trans-78.4125.1169.2-171.9-45.6000109.4T720 C721D718-T720 PolarHBondContact O-N 3Å; D718-T720 VanDerWaalsContact OD1-CB 3.32Å; D718-T720 WeakPolarHBondContact OD1-CB 3.46Å; D718-T720 WeakPolarHBondContact OD1-CG2 3.47Å; D718-T720 PolarHBondContact OD1-N 3.13Å; D718-T720 PolarHBondContact OD1-OG1 3.03Å; D718-C721 PolarHBondContact O-N 3.13Å; D718-C721 VanDerWaalsContact O-N 3.15Å; D718-C721 PolarHBondContact O-SG 2.98Å
719P86Confident88.8Confident29 Ų2954.8 Ų54.819%0.18827%0.269CS..THydrogen-bonded Turntrans-53.1-23.3178.6-2735.2000115.1F712 R723 L746 E749F712-P719 HydrophobicContact CB-CG 4.48Å; F712-P719 HydrophobicContact CD1-CB 4.36Å; F712-P719 HydrophobicContact CD1-CG 3.89Å; F712-P719 HydrophobicContact CE1-CB 4.21Å; F712-P719 HydrophobicContact CE1-CG 4.24Å; F712-P719 HydrophobicContact CG-CG 4.11Å; F712-P719 HydrophobicContact CZ-CB 4.37Å; P719-R723 WeakPolarHBondContact O-CB 3.03Å; P719-R723 PolarHBondContact O-N 3.43Å; P719-L746 HydrophobicContact CB-CD2 4Å; P719-E749 WeakPolarHBondContact CB-OE2 3.38Å; P719-E749 WeakPolarHBondContact CG-OE2 3.47Å
720T85.6Confident88.9Confident96 Ų9652.8 Ų52.859%0.58926%0.259SS*.THydrogen-bonded Turntrans-68.4-34.6178.960.40000113.9D718 I722 R723D718-T720 PolarHBondContact O-N 3Å; D718-T720 VanDerWaalsContact OD1-CB 3.32Å; D718-T720 WeakPolarHBondContact OD1-CB 3.46Å; D718-T720 WeakPolarHBondContact OD1-CG2 3.47Å; D718-T720 PolarHBondContact OD1-N 3.13Å; D718-T720 PolarHBondContact OD1-OG1 3.03Å; T720-I722 PolarHBondContact O-N 2.81Å; T720-R723 WeakPolarHBondContact O-CB 3.47Å; T720-R723 PolarHBondContact O-N 2.81Å
721C86.3Confident89.1Confident67 Ų6754.2 Ų54.245%0.45327%0.265SS..THydrogen-bonded Turntrans-80.9-12.8-168.368.70000115.1I717 D718I717-C721 WeakPolarHBondContact CG2-SG 3.15Å; D718-C721 PolarHBondContact O-N 3.13Å; D718-C721 VanDerWaalsContact O-N 3.15Å; D718-C721 PolarHBondContact O-SG 2.98Å
722I90.7Very high89.2Confident1 Ų156.3 Ų56.31%0.00528%0.28CS..THydrogen-bonded Turntrans-127.119.4173.760.7173.5000112C676 L679 Y683 F712 I717 T720 C724 A726C676-I722 HydrophobicContact CB-CG2 3.93Å; L679-I722 HydrophobicContact CB-CD1 4.39Å; L679-I722 HydrophobicContact CD1-CD1 3.42Å; L679-I722 VanDerWaalsContact CD1-CD1 3.42Å; Y683-I722 HydrophobicContact CE2-CD1 4.41Å; F712-I722 HydrophobicContact CE1-CD1 3.88Å; F712-I722 HydrophobicContact CE1-CG1 4.12Å; F712-I722 HydrophobicContact CZ-CD1 3.79Å; F712-I722 HydrophobicContact CZ-CG1 3.98Å; I717-I722 HydrophobicContact CD1-CD1 4.43Å; I717-I722 HydrophobicContact CG2-CD1 4.2Å; I717-I722 HydrophobicContact CG2-CG1 4.37Å; T720-I722 PolarHBondContact O-N 2.81Å; I722-C724 PolarHBondContact O-N 3.43Å; I722-A726 WeakPolarHBondContact O-CB 3.33Å; I722-A726 PolarHBondContact O-N 3.41Å
723R89.2Confident89.3Confident37 Ų3755.9 Ų55.914%0.1428%0.278CS..Hα-helixtrans-57.6-47.9-170.4-177.5-176.7175.47319112.2P719 T720 L727 L746 E750P719-R723 WeakPolarHBondContact O-CB 3.03Å; P719-R723 PolarHBondContact O-N 3.43Å; T720-R723 WeakPolarHBondContact O-CB 3.47Å; T720-R723 PolarHBondContact O-N 2.81Å; R723-L727 HydrophobicContact CG-CD1 3.86Å; R723-L727 HydrophobicContact CG-CG 4.5Å; R723-L727 VanDerWaalsContact O-CB 3.29Å; R723-L727 WeakPolarHBondContact O-CB 3.5Å; R723-L727 WeakPolarHBondContact O-CG 3.34Å; R723-L727 PolarHBondContact O-N 3.34Å; R723-L746 PolarHBondContact NH1-O 3.17Å; R723-L746 PolarHBondContact NH2-O 3.34Å; R723-E750 IonicContact CZ-OE1 3.85Å; R723-E750 IonicContact NE-OE1 2.77Å; R723-E750 PolarHBondContact NE-OE1 3.42Å; R723-E750 IonicContact NH2-OE1 3.17Å; R723-E750 PolarHBondContact NH2-OE1 3.13Å; R723-E750 IonicContact NH2-OE2 3.62Å; R723-E750 PolarHBondContact NH2-OE2 3.39Å
724C90.5Very high89.6Confident66 Ų6652.6 Ų52.645%0.44627%0.269SS..Hα-helixtrans-67.7-46.5-173.3-63.10000111.1I722 L727 H728I722-C724 PolarHBondContact O-N 3.43Å; C724-L727 PolarHBondContact O-N 2.98Å; C724-H728 VanDerWaalsContact O-CB 3.31Å; C724-H728 WeakPolarHBondContact O-CB 3.47Å; C724-H728 PolarHBondContact O-N 2.87Å
725E93.5Very high89.9Confident85 Ų8551.9 Ų51.940%0.39727%0.274SS..Hα-helixtrans-66.1-44.8-179.1-60.172.2-161.900110.8Y683 F729Y683-E725 HydrophobicContact CD2-CB 3.82Å; Y683-E725 HydrophobicContact CE2-CB 4.37Å; E725-F729 VanDerWaalsContact O-CB 3.26Å; E725-F729 WeakPolarHBondContact O-CB 3.45Å; E725-F729 PolarHBondContact O-N 2.99Å
726A93.2Very high90.2Very high0 Ų042.3 Ų42.30%024%0.239CC..Hα-helixtrans-68.8-38.5178.200000112.7Y683 I722 C730 L746Y683-A726 HydrophobicContact CE2-CB 3.98Å; I722-A726 WeakPolarHBondContact O-CB 3.33Å; I722-A726 PolarHBondContact O-N 3.41Å; A726-C730 WeakPolarHBondContact O-CB 3.13Å; A726-C730 PolarHBondContact O-N 3.28Å; A726-C730 PolarHBondContact O-SG 3.1Å; A726-L746 HydrophobicContact CB-CD1 3.74Å
727L93.3Very high90.7Very high30 Ų3046.4 Ų46.416%0.15727%0.268CS..Hα-helixtrans-65-47.4174-75.4172.9000111.4R723 C724 F729 C730 I731 Y743 L746R723-L727 HydrophobicContact CG-CD1 3.86Å; R723-L727 HydrophobicContact CG-CG 4.5Å; R723-L727 VanDerWaalsContact O-CB 3.29Å; R723-L727 WeakPolarHBondContact O-CB 3.5Å; R723-L727 WeakPolarHBondContact O-CG 3.34Å; R723-L727 PolarHBondContact O-N 3.34Å; C724-L727 PolarHBondContact O-N 2.98Å; L727-F729 PolarHBondContact O-N 2.59Å; L727-C730 PolarHBondContact O-N 3Å; L727-I731 WeakPolarHBondContact O-CG1 3.43Å; L727-I731 PolarHBondContact O-N 3.2Å; L727-Y743 HydrophobicContact CD2-CD2 3.53Å; L727-Y743 HydrophobicContact CD2-CE2 3.76Å; L727-Y743 HydrophobicContact CD2-CG 4.37Å; L727-L746 HydrophobicContact CD2-CB 3.68Å; L727-L746 HydrophobicContact CD2-CD1 4.14Å; L727-L746 HydrophobicContact CG-CB 4.27Å; L727-L746 HydrophobicContact CG-CD1 4.29Å
728H93.1Very high90.9Very high108 Ų10848.6 Ų48.650%0.528%0.279SS..Hα-helixtrans-57.9-46.9176176.8-133.6000111.5C724 C730 I731 S732C724-H728 VanDerWaalsContact O-CB 3.31Å; C724-H728 WeakPolarHBondContact O-CB 3.47Å; C724-H728 PolarHBondContact O-N 2.87Å; H728-C730 VanDerWaalsContact C-N 3.33Å; H728-C730 PolarHBondContact O-N 3.3Å; H728-I731 PolarHBondContact O-N 2.88Å; H728-S732 PolarHBondContact O-N 3.41Å; H728-S732 VanDerWaalsContact O-N 3.12Å; H728-S732 PolarHBondContact O-OG 2.78Å
729F95.4Very high91.4Very high2 Ų244.3 Ų44.31%0.00926%0.256CS..Hα-helixtrans-59.6-39.7175.5-173.6-106.6000113Y683 V687 V701 I704 I705 E725 L727 H733Y683-F729 HydrophobicContact CD1-CB 3.91Å; Y683-F729 AromaticContact CD1-CD1 3.48Å; Y683-F729 HydrophobicContact CD1-CD1 3.48Å; Y683-F729 VanDerWaalsContact CD1-CD1 3.48Å; Y683-F729 AromaticContact CD1-CD2 3.8Å; Y683-F729 HydrophobicContact CD1-CD2 3.8Å; Y683-F729 AromaticContact CD1-CE1 3.82Å; Y683-F729 HydrophobicContact CD1-CE1 3.82Å; Y683-F729 HydrophobicContact CD1-CE2 4.12Å; Y683-F729 AromaticContact CD1-CG 3.45Å; Y683-F729 HydrophobicContact CD1-CG 3.45Å; Y683-F729 VanDerWaalsContact CD1-CG 3.45Å; Y683-F729 HydrophobicContact CD1-CZ 4.12Å; Y683-F729 AromaticContact CE1-CD1 3.81Å; Y683-F729 HydrophobicContact CE1-CD1 3.81Å; Y683-F729 HydrophobicContact CE1-CE1 4.13Å; Y683-F729 HydrophobicContact CE1-CG 4.19Å; Y683-F729 HydrophobicContact CG-CB 4.04Å; Y683-F729 HydrophobicContact CG-CD1 4.43Å; Y683-F729 HydrophobicContact CG-CD2 4.18Å; Y683-F729 AromaticContact CG-CG 3.98Å; Y683-F729 HydrophobicContact CG-CG 3.98Å; V687-F729 HydrophobicContact CB-CD2 4.06Å; V701-F729 HydrophobicContact CG1-CE1 4.16Å; V701-F729 HydrophobicContact CG1-CZ 3.88Å; V701-F729 HydrophobicContact CG2-CZ 4.37Å; I704-F729 HydrophobicContact CB-CE1 4.4Å; I704-F729 HydrophobicContact CB-CZ 4.37Å; I704-F729 HydrophobicContact CG2-CE1 3.74Å; I704-F729 HydrophobicContact CG2-CZ 3.87Å; I705-F729 HydrophobicContact CG1-CE1 3.99Å; E725-F729 VanDerWaalsContact O-CB 3.26Å; E725-F729 WeakPolarHBondContact O-CB 3.45Å; E725-F729 PolarHBondContact O-N 2.99Å; L727-F729 PolarHBondContact O-N 2.59Å; F729-H733 AromaticContact CD2-CD2 3.78Å; F729-H733 AromaticContact CE1-CD2 3.86Å; F729-H733 AromaticContact CE2-CD2 3.46Å; F729-H733 VanDerWaalsContact CE2-CD2 3.46Å; F729-H733 WeakPolarHBondContact CE2-CD2 3.31Å; F729-H733 AromaticContact CZ-CD2 3.52Å; F729-H733 PolarHBondContact O-CD2 3.32Å; F729-H733 PolarHBondContact O-N 3.21Å
730C94.6Very high91.7Very high2 Ų245.9 Ų45.91%0.01426%0.262CS..Hα-helixtrans-70.3-30.5177.2-68.10000113.4A726 L727 H728 H733 S734 A739 Y743A726-C730 WeakPolarHBondContact O-CB 3.13Å; A726-C730 PolarHBondContact O-N 3.28Å; A726-C730 PolarHBondContact O-SG 3.1Å; L727-C730 PolarHBondContact O-N 3Å; H728-C730 VanDerWaalsContact C-N 3.33Å; H728-C730 PolarHBondContact O-N 3.3Å; C730-H733 CarbonylContact O-C 3.55Å; C730-S734 WeakPolarHBondContact O-CA 3.32Å; C730-S734 PolarHBondContact O-N 3.35Å; C730-S734 VanDerWaalsContact O-N 3.08Å; C730-A739 HydrophobicContact CB-CB 4.27Å; C730-Y743 HydrophobicContact CB-CD2 4.28Å
731I93.5Very high92.1Very high43 Ų4343.9 Ų43.922%0.22126%0.255CS..Hα-helixtrans-68.2-48175.1-68.5162.5000110.1L498 L501 L727 H728 H733 S734 Y743L498-I731 HydrophobicContact CD2-CD1 3.62Å; L501-I731 HydrophobicContact CD1-CG2 4.36Å; L727-I731 WeakPolarHBondContact O-CG1 3.43Å; L727-I731 PolarHBondContact O-N 3.2Å; H728-I731 PolarHBondContact O-N 2.88Å; I731-H733 PolarHBondContact O-N 3.26Å; I731-H733 VanDerWaalsContact O-N 3.17Å; I731-S734 WeakPolarHBondContact O-CB 3.43Å; I731-S734 PolarHBondContact O-N 3.44Å; I731-S734 VanDerWaalsContact O-N 3.13Å; I731-S734 PolarHBondContact O-OG 3.25Å; I731-Y743 HydrophobicContact CD1-CE2 4.01Å; I731-Y743 HydrophobicContact CG1-CD2 4.2Å; I731-Y743 HydrophobicContact CG1-CE2 3.81Å
732S93.1Very high92.4Very high45 Ų4541 Ų4132%0.31524%0.235SC..Hα-helixtrans-65.2-17.4178.6-55.40000114V687 H728V687-S732 WeakPolarHBondContact CG2-OG 3.16Å; V687-S732 VanDerWaalsContact O-CB 3.24Å; V687-S732 WeakPolarHBondContact O-CB 3.34Å; H728-S732 PolarHBondContact O-N 3.41Å; H728-S732 VanDerWaalsContact O-N 3.12Å; H728-S732 PolarHBondContact O-OG 2.78Å
733H92.7Very high92.5Very high4 Ų442.9 Ų42.92%0.01924%0.243CC..THydrogen-bonded Turntrans-119.228.2175.1-57.6-39.9000113.2Y686 V687 V689 T691 V701 F729 C730 I731 N735 L736 A739Y686-H733 PolarHBondContact O-NE2 2.94Å; V687-H733 PolarHBondContact O-NE2 2.78Å; V689-H733 PolarHBondContact N-NE2 2.86Å; V689-H733 PolarHBondContact O-NE2 2.86Å; T691-H733 PolarHBondContact OG1-CE1 2.82Å; V701-H733 HydrophobicContact CG1-CB 4.16Å; V701-H733 WeakPolarHBondContact CG1-CD2 3.4Å; F729-H733 AromaticContact CD2-CD2 3.78Å; F729-H733 AromaticContact CE1-CD2 3.86Å; F729-H733 AromaticContact CE2-CD2 3.46Å; F729-H733 VanDerWaalsContact CE2-CD2 3.46Å; F729-H733 WeakPolarHBondContact CE2-CD2 3.31Å; F729-H733 AromaticContact CZ-CD2 3.52Å; F729-H733 PolarHBondContact O-CD2 3.32Å; F729-H733 PolarHBondContact O-N 3.21Å; C730-H733 CarbonylContact O-C 3.55Å; I731-H733 PolarHBondContact O-N 3.26Å; I731-H733 VanDerWaalsContact O-N 3.17Å; H733-N735 VanDerWaalsContact C-OD1 3.24Å; H733-N735 WeakPolarHBondContact CA-OD1 3.29Å; H733-N735 PolarHBondContact O-N 3.49Å; H733-N735 PolarHBondContact O-OD1 3.18Å; H733-L736 HydrophobicContact CB-CD1 4.33Å; H733-L736 WeakPolarHBondContact O-CB 3.44Å; H733-L736 PolarHBondContact O-N 2.89Å; H733-A739 HydrophobicContact CB-CB 4.35Å; H733-A739 VanDerWaalsContact O-CB 3.23Å; H733-A739 WeakPolarHBondContact O-CB 3.48Å
734S91.8Very high92.6Very high61 Ų6149 Ų4943%0.42727%0.266SS..THydrogen-bonded Turntrans-58.4-17.4179.7480000114.9C730 I731 L736 L740C730-S734 WeakPolarHBondContact O-CA 3.32Å; C730-S734 PolarHBondContact O-N 3.35Å; C730-S734 VanDerWaalsContact O-N 3.08Å; I731-S734 WeakPolarHBondContact O-CB 3.43Å; I731-S734 PolarHBondContact O-N 3.44Å; I731-S734 VanDerWaalsContact O-N 3.13Å; I731-S734 PolarHBondContact O-OG 3.25Å; S734-L736 PolarHBondContact O-N 3.27Å; S734-L740 WeakPolarHBondContact O-CD1 3.45Å; S734-L740 WeakPolarHBondContact O-CG 3.35Å
735N89.9Confident92.5Very high93 Ų9348.2 Ų48.250%0.49726%0.255SS..THydrogen-bonded Turntrans-66.6-15.9168.866.7-41.8000113.8T691 H733T691-N735 PolarHBondContact O-ND2 2.91Å; T691-N735 PolarHBondContact OG1-ND2 3.23Å; T691-N735 PolarHBondContact OG1-OD1 3.03Å; H733-N735 VanDerWaalsContact C-OD1 3.24Å; H733-N735 WeakPolarHBondContact CA-OD1 3.29Å; H733-N735 PolarHBondContact O-N 3.49Å; H733-N735 PolarHBondContact O-OD1 3.18Å
736L91.6Very high92.4Very high12 Ų1244.1 Ų44.16%0.06324%0.236CC..SBendtrans-95.3121.5176.6-56.4-177.6000110.3T691 K698 V701 I705 H733 S734 Q738 A739 L740T691-L736 HydrophobicContact CG2-CD1 4.28Å; K698-L736 HydrophobicContact CD-CD2 4.38Å; K698-L736 HydrophobicContact CG-CD2 4.11Å; V701-L736 HydrophobicContact CB-CD1 4.33Å; V701-L736 HydrophobicContact CG1-CD1 3.67Å; I705-L736 HydrophobicContact CD1-CD1 3.93Å; H733-L736 HydrophobicContact CB-CD1 4.33Å; H733-L736 WeakPolarHBondContact O-CB 3.44Å; H733-L736 PolarHBondContact O-N 2.89Å; S734-L736 PolarHBondContact O-N 3.27Å; L736-Q738 PolarHBondContact O-N 3.4Å; L736-A739 HydrophobicContact CB-CB 4.22Å; L736-A739 WeakPolarHBondContact O-CB 3.42Å; L736-A739 PolarHBondContact O-N 3.07Å; L736-L740 PolarHBondContact O-N 2.94Å
737S91.1Very high92.1Very high99 Ų9947.5 Ų47.569%0.69225%0.25SS*.Hα-helixtrans-57.6-26.317956.10000114A741S737-A741 PolarHBondContact O-N 3.23Å; S737-A741 VanDerWaalsContact O-N 3.15Å
738Q91.1Very high91.6Very high51 Ų5149.8 Ų49.824%0.23827%0.269CS..Hα-helixtrans-71.2-39.1173-63.1-174.6-11.800112.8T702 I705 S706 L736 L740 A741 L742T702-Q738 PolarHBondContact O-OE1 3.49Å; I705-Q738 HydrophobicContact CG2-CB 3.77Å; S706-Q738 PolarHBondContact OG-OE1 3Å; L736-Q738 PolarHBondContact O-N 3.4Å; Q738-L740 VanDerWaalsContact C-N 3.34Å; Q738-A741 WeakPolarHBondContact O-CB 3.37Å; Q738-A741 PolarHBondContact O-N 3.36Å; Q738-L742 PolarHBondContact O-N 3Å
739A92.6Very high90.6Very high0 Ų048.2 Ų48.20%026%0.262CS..Hα-helixtrans-63.5-43.2175.800000110.4I705 C730 H733 L736 A741 L742 Y743I705-A739 HydrophobicContact CD1-CB 3.85Å; C730-A739 HydrophobicContact CB-CB 4.27Å; H733-A739 HydrophobicContact CB-CB 4.35Å; H733-A739 VanDerWaalsContact O-CB 3.23Å; H733-A739 WeakPolarHBondContact O-CB 3.48Å; L736-A739 HydrophobicContact CB-CB 4.22Å; L736-A739 WeakPolarHBondContact O-CB 3.42Å; L736-A739 PolarHBondContact O-N 3.07Å; A739-A741 VanDerWaalsContact C-N 3.28Å; A739-A741 PolarHBondContact O-N 3.47Å; A739-L742 PolarHBondContact O-N 3.49Å; A739-Y743 VanDerWaalsContact O-CB 3.23Å; A739-Y743 WeakPolarHBondContact O-CB 3.29Å; A739-Y743 PolarHBondContact O-N 2.92Å
740L93Very high89Confident61 Ų6152.9 Ų52.932%0.31928%0.283SS..Hα-helixtrans-63.2-31.3174.3-62.4179.3000113.2S734 L736 Q738 R744S734-L740 WeakPolarHBondContact O-CD1 3.45Å; S734-L740 WeakPolarHBondContact O-CG 3.35Å; L736-L740 PolarHBondContact O-N 2.94Å; Q738-L740 VanDerWaalsContact C-N 3.34Å; L740-R744 VanDerWaalsContact O-CD 3.32Å; L740-R744 WeakPolarHBondContact O-CD 3.35Å; L740-R744 WeakPolarHBondContact O-CG 3.34Å; L740-R744 PolarHBondContact O-N 2.99Å
741A92.9Very high86.8Confident55 Ų5560.8 Ų60.846%0.45532%0.32SS..Hα-helixtrans-71.3-46.5174.400000111.7S737 Q738 A739 R744 K745S737-A741 PolarHBondContact O-N 3.23Å; S737-A741 VanDerWaalsContact O-N 3.15Å; Q738-A741 WeakPolarHBondContact O-CB 3.37Å; Q738-A741 PolarHBondContact O-N 3.36Å; A739-A741 VanDerWaalsContact C-N 3.28Å; A739-A741 PolarHBondContact O-N 3.47Å; A741-R744 PolarHBondContact O-N 3.16Å; A741-K745 PolarHBondContact O-N 2.87Å; A741-K745 VanDerWaalsContact O-N 3.12Å
742L93Very high84.2Confident5 Ų568.1 Ų68.13%0.02637%0.366CS..Hα-helixtrans-65.2-42.4177.8-176.557.7000112I705 T708 D709 F712 Q738 A739 R744 K745 L746I705-L742 HydrophobicContact CG2-CB 4.22Å; I705-L742 HydrophobicContact CG2-CD2 3.93Å; T708-L742 HydrophobicContact CG2-CD1 4.47Å; T708-L742 HydrophobicContact CG2-CD2 3.8Å; D709-L742 HydrophobicContact CB-CD1 4.14Å; F712-L742 HydrophobicContact CD2-CD1 4.01Å; F712-L742 HydrophobicContact CE2-CD1 3.97Å; Q738-L742 PolarHBondContact O-N 3Å; A739-L742 PolarHBondContact O-N 3.49Å; L742-R744 PolarHBondContact O-N 2.91Å; L742-K745 WeakPolarHBondContact O-CB 3.43Å; L742-K745 PolarHBondContact O-N 2.94Å; L742-L746 HydrophobicContact CD1-CD1 4.44Å; L742-L746 HydrophobicContact CD1-CG 4.47Å; L742-L746 HydrophobicContact CG-CD1 4.18Å; L742-L746 WeakPolarHBondContact O-CG 3.38Å; L742-L746 PolarHBondContact O-N 2.9Å
743Y93.1Very high83.8Confident41 Ų4169.3 Ų69.316%0.16137%0.369CS..Hα-helixtrans-56.2-46.7174179.5-97.2000112.2L727 C730 I731 A739 K745 L746 K747L727-Y743 HydrophobicContact CD2-CD2 3.53Å; L727-Y743 HydrophobicContact CD2-CE2 3.76Å; L727-Y743 HydrophobicContact CD2-CG 4.37Å; C730-Y743 HydrophobicContact CB-CD2 4.28Å; I731-Y743 HydrophobicContact CD1-CE2 4.01Å; I731-Y743 HydrophobicContact CG1-CD2 4.2Å; I731-Y743 HydrophobicContact CG1-CE2 3.81Å; A739-Y743 VanDerWaalsContact O-CB 3.23Å; A739-Y743 WeakPolarHBondContact O-CB 3.29Å; A739-Y743 PolarHBondContact O-N 2.92Å; Y743-K745 VanDerWaalsContact C-N 3.35Å; Y743-K745 PolarHBondContact O-N 3.31Å; Y743-L746 PolarHBondContact O-N 3.48Å; Y743-K747 HydrophobicContact CE1-CD 3.97Å; Y743-K747 WeakPolarHBondContact O-CB 3.46Å; Y743-K747 PolarHBondContact O-N 3.34Å
744R92.3Very high83.3Confident166 Ų16672.7 Ų72.763%0.62639%0.388SS*.Hα-helixtrans-64.1-38.7177.6-73.1167.6-170.21534.2112.4L740 A741 L742 S748L740-R744 VanDerWaalsContact O-CD 3.32Å; L740-R744 WeakPolarHBondContact O-CD 3.35Å; L740-R744 WeakPolarHBondContact O-CG 3.34Å; L740-R744 PolarHBondContact O-N 2.99Å; A741-R744 PolarHBondContact O-N 3.16Å; L742-R744 PolarHBondContact O-N 2.91Å; R744-S748 WeakPolarHBondContact O-CB 3.32Å; R744-S748 PolarHBondContact O-N 2.85Å; R744-S748 PolarHBondContact O-OG 3.43Å
745K88.6Confident82.8Confident49 Ų4973.4 Ų73.421%0.21339%0.385CS..Hα-helixtrans-62-54.4175.2175.9176.3166.7179.50110.8D709 A741 L742 Y743 K747 S748 E749D709-K745 WeakPolarHBondContact OD1-CD 3.42Å; D709-K745 IonicContact OD1-NZ 2.81Å; D709-K745 PolarHBondContact OD1-NZ 3.26Å; A741-K745 PolarHBondContact O-N 2.87Å; A741-K745 VanDerWaalsContact O-N 3.12Å; L742-K745 WeakPolarHBondContact O-CB 3.43Å; L742-K745 PolarHBondContact O-N 2.94Å; Y743-K745 VanDerWaalsContact C-N 3.35Å; Y743-K745 PolarHBondContact O-N 3.31Å; K745-K747 VanDerWaalsContact C-N 3.33Å; K745-K747 PolarHBondContact O-N 3.1Å; K745-S748 PolarHBondContact O-N 3.13Å; K745-S748 PolarHBondContact O-OG 3.49Å; K745-E749 WeakPolarHBondContact CE-OE1 3.34Å; K745-E749 WeakPolarHBondContact O-CG 3.49Å; K745-E749 PolarHBondContact O-N 3.31Å
746L90.1Very high82.4Confident0 Ų072.2 Ų72.20%038%0.379CS..Hα-helixtrans-56.6-43.7176.5-72169.8000112.1F712 P719 R723 A726 L727 L742 Y743 S748 E749F712-L746 HydrophobicContact CE2-CD2 3.76Å; F712-L746 HydrophobicContact CE2-CG 4.38Å; F712-L746 HydrophobicContact CZ-CD2 4.1Å; P719-L746 HydrophobicContact CB-CD2 4Å; R723-L746 PolarHBondContact NH1-O 3.17Å; R723-L746 PolarHBondContact NH2-O 3.34Å; A726-L746 HydrophobicContact CB-CD1 3.74Å; L727-L746 HydrophobicContact CD2-CB 3.68Å; L727-L746 HydrophobicContact CD2-CD1 4.14Å; L727-L746 HydrophobicContact CG-CB 4.27Å; L727-L746 HydrophobicContact CG-CD1 4.29Å; L742-L746 HydrophobicContact CD1-CD1 4.44Å; L742-L746 HydrophobicContact CD1-CG 4.47Å; L742-L746 HydrophobicContact CG-CD1 4.18Å; L742-L746 WeakPolarHBondContact O-CG 3.38Å; L742-L746 PolarHBondContact O-N 2.9Å; Y743-L746 PolarHBondContact O-N 3.48Å; L746-S748 VanDerWaalsContact C-N 3.34Å; L746-S748 PolarHBondContact O-N 3.41Å; L746-E749 PolarHBondContact O-N 3.1Å
747K88.2Confident81.8Confident71 Ų7176 Ų7631%0.30940%0.398SS..Hα-helixtrans-66.8-31.2176.2-164.9165.7-178171.20112.7D502 Y743 K745 E750D502-K747 IonicContact OD1-NZ 3.68Å; D502-K747 IonicContact OD2-NZ 3.69Å; D502-K747 PolarHBondContact OD2-NZ 3.18Å; Y743-K747 HydrophobicContact CE1-CD 3.97Å; Y743-K747 WeakPolarHBondContact O-CB 3.46Å; Y743-K747 PolarHBondContact O-N 3.34Å; K745-K747 VanDerWaalsContact C-N 3.33Å; K745-K747 PolarHBondContact O-N 3.1Å; K747-E750 VanDerWaalsContact O-CB 3.25Å; K747-E750 WeakPolarHBondContact O-CB 3.29Å; K747-E750 PolarHBondContact O-N 3.28Å
748S82.3Confident81.2Confident78 Ų7874.5 Ų74.555%0.54538%0.379SS..Hα-helixtrans-73.3-25.8174.5700000113.9R744 K745 L746 E750R744-S748 WeakPolarHBondContact O-CB 3.32Å; R744-S748 PolarHBondContact O-N 2.85Å; R744-S748 PolarHBondContact O-OG 3.43Å; K745-S748 PolarHBondContact O-N 3.13Å; K745-S748 PolarHBondContact O-OG 3.49Å; L746-S748 VanDerWaalsContact C-N 3.34Å; L746-S748 PolarHBondContact O-N 3.41Å; S748-E750 PolarHBondContact O-N 2.89Å
749E72.3Confident80.5Confident74 Ų7476.1 Ų76.135%0.34639%0.389SS..THydrogen-bonded Turntrans-80.812.9175.9-67.7164.7171.100112.4P719 K745 L746P719-E749 WeakPolarHBondContact CB-OE2 3.38Å; P719-E749 WeakPolarHBondContact CG-OE2 3.47Å; K745-E749 WeakPolarHBondContact CE-OE1 3.34Å; K745-E749 WeakPolarHBondContact O-CG 3.49Å; K745-E749 PolarHBondContact O-N 3.31Å; L746-E749 PolarHBondContact O-N 3.1Å
750E60.6Low79.6Confident100 Ų10082 Ų8247%0.46742%0.419SS..THydrogen-bonded Turntrans-92.7-6.2177.6-165152.9-124.800114.2R723 K747 S748R723-E750 IonicContact CZ-OE1 3.85Å; R723-E750 IonicContact NE-OE1 2.77Å; R723-E750 PolarHBondContact NE-OE1 3.42Å; R723-E750 IonicContact NH2-OE1 3.17Å; R723-E750 PolarHBondContact NH2-OE1 3.13Å; R723-E750 IonicContact NH2-OE2 3.62Å; R723-E750 PolarHBondContact NH2-OE2 3.39Å; K747-E750 VanDerWaalsContact O-CB 3.25Å; K747-E750 WeakPolarHBondContact O-CB 3.29Å; K747-E750 PolarHBondContact O-N 3.28Å; S748-E750 PolarHBondContact O-N 2.89Å
751H48.1Very low78.4Confident168 Ų16883.8 Ų83.878%0.77843%0.427SS*.  trans-124.532.1-170.4-71.8-37.9000113.8
752V40Very low77.1Confident198 Ų19886.4 Ų86.4100%1.243%0.425SS*.  trans-1300174.1-175.20000109.5

Retrieved 752 of 752 residues in 259 ms (Link to these results)

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