A0A023QE67_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A023QE67, Species HUMAN (Homo sapiens, Human), Gene ATP6, Length 226 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
1M46.2Very low72.4Confident217 Ų217101.1 Ų101.1100%1.06954%0.544SS*.  0121.40-70.4159.497.200106E3M1-E3 PolarHBondContact O-N 3.36Å
2N48.4Very low73.4Confident162 Ų16295.9 Ų95.987%0.86652%0.52SS*.  trans-66.889168.2-106.616.3000105.8N4N2-N4 PolarHBondContact O-N 3.41Å; N2-N4 VanDerWaalsContact O-N 3.08Å
3E58.2Low74.4Confident127 Ų12796.2 Ų96.259%0.59353%0.526SS*.  trans-56.3115.1167.6-72.9-88140.700105.8M1 L5M1-E3 PolarHBondContact O-N 3.36Å; E3-L5 PolarHBondContact O-N 3.33Å
4N75.4Confident75.3Confident126 Ų12697.2 Ų97.267%0.67453%0.53SS*.  trans-72.475.6179.2-73.9-27.2000108.6N2 F6 A7N2-N4 PolarHBondContact O-N 3.41Å; N2-N4 VanDerWaalsContact O-N 3.08Å; N4-F6 PolarHBondContact O-N 3.36Å; N4-A7 HydrophobicContact CB-CB 3.81Å; N4-A7 VanDerWaalsContact O-CB 3.24Å; N4-A7 WeakPolarHBondContact O-CB 3.05Å; N4-A7 PolarHBondContact O-N 3.32Å
5L75.3Confident76Confident44 Ų44102.5 Ų102.523%0.2356%0.556CS.*THydrogen-bonded Turntrans-52.7-27.7175.6-64.4175.9000111.7E3 L169 H172 L173E3-L5 PolarHBondContact O-N 3.33Å; L5-L169 HydrophobicContact CB-CD2 4.33Å; L5-H172 VanDerWaalsContact CD2-CE1 3.41Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.49Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.13Å; L5-L173 HydrophobicContact CD1-CD2 3.88Å; L5-L173 HydrophobicContact CD2-CD2 4.41Å
6F81.6Confident76.6Confident135 Ų135100.5 Ų100.559%0.59257%0.567SS**THydrogen-bonded Turntrans-89.8-4.8-179.8-63.4-77.1000114.8N4 S8 F9 L169N4-F6 PolarHBondContact O-N 3.36Å; F6-S8 PolarHBondContact O-N 3.09Å; F6-F9 AromaticContact CD1-CD2 3.94Å; F6-F9 HydrophobicContact CD1-CD2 3.94Å; F6-F9 HydrophobicContact CD1-CE2 4.31Å; F6-F9 PolarHBondContact O-N 3.37Å; F6-L169 HydrophobicContact CD1-CD2 4.43Å; F6-L169 HydrophobicContact CE1-CD1 4.07Å; F6-L169 HydrophobicContact CE1-CD2 4.08Å; F6-L169 HydrophobicContact CZ-CD2 4.45Å
7A79.9Confident77.1Confident51 Ų51102 Ų10242%0.42157%0.572SS.*G310 helixtrans-60.1-33.3-178.500000112.4N4 F9 I10N4-A7 HydrophobicContact CB-CB 3.81Å; N4-A7 VanDerWaalsContact O-CB 3.24Å; N4-A7 WeakPolarHBondContact O-CB 3.05Å; N4-A7 PolarHBondContact O-N 3.32Å; A7-F9 PolarHBondContact O-N 3.13Å; A7-I10 PolarHBondContact O-N 3.13Å
8S79.9Confident77.5Confident59 Ų59100.8 Ų100.841%0.41357%0.569SS.*G310 helixtrans-67.1-21.1177.156.10000113.9F6 F92F6-S8 PolarHBondContact O-N 3.09Å; S8-F92 WeakPolarHBondContact O-CD2 3.39Å
9F82.8Confident78Confident20 Ų2096.5 Ų96.59%0.08855%0.548CS..G310 helixtrans-92.8-10.5178.3-57.8-68.4000113F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 AromaticContact CD1-CD2 3.94Å; F6-F9 HydrophobicContact CD1-CD2 3.94Å; F6-F9 HydrophobicContact CD1-CE2 4.31Å; F6-F9 PolarHBondContact O-N 3.37Å; A7-F9 PolarHBondContact O-N 3.13Å; F9-A11 PolarHBondContact O-N 3.37Å; F9-T96 HydrophobicContact CD1-CG2 3.85Å; F9-T96 HydrophobicContact CE1-CG2 3.74Å; F9-Q97 PolarHBondContact O-NE2 2.85Å; F9-T165 HydrophobicContact CD1-CG2 4.42Å; F9-T165 HydrophobicContact CE1-CG2 4.14Å; F9-H168 HydrophobicContact CE1-CB 4.07Å; F9-H168 HydrophobicContact CZ-CB 3.83Å; F9-L169 HydrophobicContact CE2-CD1 4.42Å; F9-L169 HydrophobicContact CE2-CD2 3.69Å; F9-L169 HydrophobicContact CE2-CG 3.75Å; F9-L169 HydrophobicContact CZ-CD2 4.32Å; F9-L169 HydrophobicContact CZ-CG 3.92Å
10I85.1Confident78.4Confident120 Ų12092.7 Ų92.762%0.61553%0.528SS*.SBendtrans-68.8129178.2-59.6174.3000108.4A7 P12A7-I10 PolarHBondContact O-N 3.13Å; I10-P12 WeakPolarHBondContact O-CD 3.38Å
11A83.8Confident78.8Confident51 Ų5192 Ų9242%0.42153%0.526SS..PPolyproline II helixtrans-58.3121.8179.800000110.2F9 T13 F92F9-A11 PolarHBondContact O-N 3.37Å; A11-T13 PolarHBondContact O-N 2.96Å; A11-F92 HydrophobicContact CB-CZ 4.49Å
12P83.8Confident80.7Confident39 Ų3987.7 Ų87.725%0.25351%0.507SS..PPolyproline II helixtrans-72.2126.2-17426.9-33.3000110.4I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.38Å; P12-A19 HydrophobicContact CB-CB 4.26Å; P12-A19 HydrophobicContact CG-CB 4.37Å; P12-A19 WeakPolarHBondContact O-CB 3.35Å; P12-A19 PolarHBondContact O-N 2.97Å; P12-I23 HydrophobicContact CG-CD1 3.68Å; P12-F92 HydrophobicContact CG-CB 4.39Å; P12-F92 HydrophobicContact CG-CD1 4.12Å; P12-F92 HydrophobicContact CG-CD2 4.48Å; P12-F92 HydrophobicContact CG-CG 4.07Å
13T87.3Confident82.6Confident99 Ų9982.4 Ų82.461%0.60748%0.478SS*.EExtended strand (participates in β ladder)trans-117.6121.8171.2560000109.4A11 L17A11-T13 PolarHBondContact O-N 2.96Å; T13-L17 CarbonylContact C-O 3.53Å; T13-L17 VanDerWaalsContact CA-O 3.25Å; T13-L17 WeakPolarHBondContact CA-O 3.45Å
14I87.3Confident84.1Confident111 Ų11178.8 Ų78.857%0.56946%0.462SS*.EExtended strand (participates in β ladder)trans-106.4123.5175-62.9171.2000107G16 L17 A19I14-G16 PolarHBondContact O-N 3.4Å; I14-G16 VanDerWaalsContact O-N 3.12Å; I14-L17 PolarHBondContact N-O 2.94Å; I14-L17 PolarHBondContact O-N 3.35Å; I14-A19 HydrophobicContact CB-CB 4.47Å; I14-A19 HydrophobicContact CD1-CB 3.83Å; I14-A19 HydrophobicContact CG1-CB 3.91Å
15L85.7Confident84.7Confident176 Ų17678.4 Ų78.492%0.92146%0.459SS*.THydrogen-bonded Turntrans53.732.5178.4-72.7149.7000113.7L17L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 3.47Å
16G84.4Confident85.4Confident71 Ų7180.8 Ų80.873%0.73247%0.468SS*.THydrogen-bonded Turntrans79.8-2.6-177.200000115.3I14I14-G16 PolarHBondContact O-N 3.4Å; I14-G16 VanDerWaalsContact O-N 3.12Å
17L85.4Confident85.7Confident126 Ų12674.5 Ų74.566%0.6644%0.441SS*.EExtended strand (participates in β ladder)trans-92.9139.9173-66.5169000111T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.53Å; T13-L17 VanDerWaalsContact CA-O 3.25Å; T13-L17 WeakPolarHBondContact CA-O 3.45Å; I14-L17 PolarHBondContact N-O 2.94Å; I14-L17 PolarHBondContact O-N 3.35Å; L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 3.47Å; L17-A19 PolarHBondContact O-N 3.13Å
18P85.6Confident86Confident80 Ų8075.3 Ų75.352%0.51944%0.442SS..EExtended strand (participates in β ladder)trans-71.5100.617829.2-33.5000110.5A20 V21P18-A20 PolarHBondContact O-N 2.98Å; P18-V21 HydrophobicContact CB-CG2 4.45Å; P18-V21 HydrophobicContact CG-CG2 4.2Å; P18-V21 PolarHBondContact O-N 3.25Å
19A86.6Confident86.4Confident20 Ų2079 Ų7917%0.16546%0.456CS..THydrogen-bonded Turntrans-68-17.4176.900000112.3P12 I14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.26Å; P12-A19 HydrophobicContact CG-CB 4.37Å; P12-A19 WeakPolarHBondContact O-CB 3.35Å; P12-A19 PolarHBondContact O-N 2.97Å; I14-A19 HydrophobicContact CB-CB 4.47Å; I14-A19 HydrophobicContact CD1-CB 3.83Å; I14-A19 HydrophobicContact CG1-CB 3.91Å; L17-A19 PolarHBondContact O-N 3.13Å; A19-V21 PolarHBondContact O-N 3.2Å; A19-V21 VanDerWaalsContact O-N 3.17Å; A19-L22 WeakPolarHBondContact O-CB 3.12Å; A19-L22 PolarHBondContact O-N 2.97Å; A19-L22 VanDerWaalsContact O-N 3.08Å; A19-I23 PolarHBondContact O-N 3.05Å
20A86.1Confident86.6Confident19 Ų1981.3 Ų81.316%0.15747%0.469CS..Hα-helixtrans-53.1-33.3173.200000113.2P18 L22 I23 I24 F92P18-A20 PolarHBondContact O-N 2.98Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 3.28Å; A20-I23 PolarHBondContact O-N 3.25Å; A20-I24 VanDerWaalsContact O-CG1 3.28Å; A20-I24 WeakPolarHBondContact O-CG1 3.44Å; A20-I24 PolarHBondContact O-N 3.41Å; A20-F92 HydrophobicContact CB-CE1 4.3Å
21V86.1Confident86.8Confident80 Ų8078.3 Ų78.349%0.48545%0.454SS..Hα-helixtrans-63.3-42178.7179.70000111.2P18 A19 I23 I24 L25P18-V21 HydrophobicContact CB-CG2 4.45Å; P18-V21 HydrophobicContact CG-CG2 4.2Å; P18-V21 PolarHBondContact O-N 3.25Å; A19-V21 PolarHBondContact O-N 3.2Å; A19-V21 VanDerWaalsContact O-N 3.17Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3.42Å; V21-I24 PolarHBondContact O-N 2.74Å; V21-L25 HydrophobicContact CG1-CD1 4.11Å; V21-L25 WeakPolarHBondContact O-CG 3.3Å; V21-L25 PolarHBondContact O-N 3.33Å; V21-L25 VanDerWaalsContact O-N 3.08Å
22L86.8Confident87Confident126 Ų12678.5 Ų78.566%0.6645%0.451SS*.Hα-helixtrans-65.5-38.7178.7-168.5148.7000111A19 A20 L25 F26A19-L22 WeakPolarHBondContact O-CB 3.12Å; A19-L22 PolarHBondContact O-N 2.97Å; A19-L22 VanDerWaalsContact O-N 3.08Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 3.28Å; L22-L25 PolarHBondContact O-N 2.96Å; L22-F26 PolarHBondContact O-N 3.45Å
23I88.4Confident87.2Confident51 Ų5183.1 Ų83.126%0.26248%0.478SS..Hα-helixtrans-66.3-41.1177.6-58.4172.7000110.9P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.68Å; A19-I23 PolarHBondContact O-N 3.05Å; A20-I23 PolarHBondContact O-N 3.25Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3.42Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.42Å; I23-F26 WeakPolarHBondContact O-CB 3.22Å; I23-F26 PolarHBondContact O-N 3.11Å; I23-P27 VanDerWaalsContact O-CD 3.29Å; I23-P27 WeakPolarHBondContact O-CD 3.3Å; I23-F92 HydrophobicContact CD1-CB 3.97Å; I23-F92 HydrophobicContact CD1-CD1 3.86Å; I23-F92 HydrophobicContact CD1-CG 4.3Å; I23-F92 HydrophobicContact CG2-CD1 4.43Å
24I88.9Confident87.2Confident50 Ų5080.2 Ų80.226%0.25646%0.462SS..Hα-helixtrans-65.3-33.1176.5-68.4164.2000111.8A20 V21 F26 P27 F78 P94 M100A20-I24 VanDerWaalsContact O-CG1 3.28Å; A20-I24 WeakPolarHBondContact O-CG1 3.44Å; A20-I24 PolarHBondContact O-N 3.41Å; V21-I24 PolarHBondContact O-N 2.74Å; I24-F26 VanDerWaalsContact C-N 3.33Å; I24-P27 WeakPolarHBondContact O-CD 3.44Å; I24-F78 HydrophobicContact CG2-CZ 4.27Å; I24-P94 HydrophobicContact CD1-CB 4.24Å; I24-P94 HydrophobicContact CG1-CB 3.68Å; I24-P94 HydrophobicContact CG1-CG 4.03Å; I24-M100 HydrophobicContact CD1-SD 4.38Å; I24-M100 HydrophobicContact CG2-CE 4.31Å
25L88Confident87.2Confident118 Ų11885.2 Ų85.262%0.61848%0.48SS*.Hα-helixtrans-80.5-10.7178.7-72171.8000114.1V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.11Å; V21-L25 WeakPolarHBondContact O-CG 3.3Å; V21-L25 PolarHBondContact O-N 3.33Å; V21-L25 VanDerWaalsContact O-N 3.08Å; L22-L25 PolarHBondContact O-N 2.96Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.42Å; L25-P28 WeakPolarHBondContact O-CD 2.94Å
26F89.4Confident87.3Confident94 Ų9485.7 Ų85.741%0.41247%0.471SS..Hα-helixtrans-72.2-42.7-175.6-171.6-100.9000114.7L22 I23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 3.45Å; I23-F26 WeakPolarHBondContact O-CB 3.22Å; I23-F26 PolarHBondContact O-N 3.11Å; I24-F26 VanDerWaalsContact C-N 3.33Å; F26-L29 WeakPolarHBondContact O-CB 3.46Å; F26-L29 PolarHBondContact O-N 3.29Å; F26-L29 VanDerWaalsContact O-N 3.07Å; F26-L30 HydrophobicContact CD1-CD1 4.39Å; F26-L30 HydrophobicContact CE1-CD1 4.03Å; F26-L30 HydrophobicContact CE1-CD2 4.35Å; F26-L30 HydrophobicContact CE1-CG 4.28Å; F26-L30 HydrophobicContact CZ-CD2 4.41Å; F26-L85 HydrophobicContact CD1-CD2 3.29Å; F26-L85 HydrophobicContact CE1-CD2 3.52Å
27P89.3Confident87.1Confident4 Ų490.7 Ų90.73%0.02648%0.48CS..Hα-helixtrans-57.4-42179.8-18.525.8000115.3I23 I24 L29 L30 M81 T82I23-P27 VanDerWaalsContact O-CD 3.29Å; I23-P27 WeakPolarHBondContact O-CD 3.3Å; I24-P27 WeakPolarHBondContact O-CD 3.44Å; P27-L29 PolarHBondContact O-N 3.03Å; P27-L30 WeakPolarHBondContact O-CB 3.33Å; P27-L30 PolarHBondContact O-N 3.02Å; P27-L30 VanDerWaalsContact O-N 3.12Å; P27-M81 HydrophobicContact CB-CB 3.85Å; P27-T82 HydrophobicContact CB-CG2 4.39Å; P27-T82 HydrophobicContact CG-CG2 3.63Å
28P85.5Confident87.2Confident68 Ų6892.2 Ų92.244%0.44249%0.487SS..Hα-helixtrans-56.7-33.4173.9-26.733.4000114.1L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 2.94Å; P28-L30 PolarHBondContact O-N 3.48Å; P28-I31 PolarHBondContact O-N 3.14Å
29L88.6Confident87.5Confident135 Ų13589.5 Ų89.571%0.70747%0.468SS*.Hα-helixtrans-66.9-25.9179.7-172.366.5000112.4F26 P27 I31F26-L29 WeakPolarHBondContact O-CB 3.46Å; F26-L29 PolarHBondContact O-N 3.29Å; F26-L29 VanDerWaalsContact O-N 3.07Å; P27-L29 PolarHBondContact O-N 3.03Å; L29-I31 PolarHBondContact O-N 3.28Å
30L87.8Confident87.7Confident70 Ų7094 Ų9437%0.36649%0.49SS..THydrogen-bonded Turntrans-75.9-3.7178.6-65.2175.2000113.8F26 P27 P28 P32 Q46 M81 L85F26-L30 HydrophobicContact CD1-CD1 4.39Å; F26-L30 HydrophobicContact CE1-CD1 4.03Å; F26-L30 HydrophobicContact CE1-CD2 4.35Å; F26-L30 HydrophobicContact CE1-CG 4.28Å; F26-L30 HydrophobicContact CZ-CD2 4.41Å; P27-L30 WeakPolarHBondContact O-CB 3.33Å; P27-L30 PolarHBondContact O-N 3.02Å; P27-L30 VanDerWaalsContact O-N 3.12Å; P28-L30 PolarHBondContact O-N 3.48Å; L30-P32 VanDerWaalsContact C-CD 3.43Å; L30-P32 WeakPolarHBondContact O-CD 3.26Å; L30-Q46 PolarHBondContact O-NE2 3.43Å; L30-M81 HydrophobicContact CB-CE 3.84Å; L30-M81 HydrophobicContact CD1-CE 4.28Å; L30-L85 HydrophobicContact CD1-CD1 3.57Å; L30-L85 HydrophobicContact CD1-CD2 3.79Å; L30-L85 HydrophobicContact CD1-CG 4.13Å
31I88.6Confident87.9Confident56 Ų56103.1 Ų103.129%0.28752%0.52SS..SBendtrans-106.483179.7-53.6165.7000108.4P28 L29 I77 M81P28-I31 PolarHBondContact O-N 3.14Å; L29-I31 PolarHBondContact O-N 3.28Å; I31-I77 HydrophobicContact CD1-CG2 3.42Å; I31-I77 VanDerWaalsContact CD1-CG2 3.42Å; I31-M81 HydrophobicContact CG1-CE 4.35Å
32P87.7Confident88.1Confident56 Ų56103.3 Ų103.336%0.36452%0.518SS..  trans-67.1138.917827.3-33.8000110.7L30 L42 I43L30-P32 VanDerWaalsContact C-CD 3.43Å; L30-P32 WeakPolarHBondContact O-CD 3.26Å; P32-L42 HydrophobicContact CG-CD2 3.49Å; P32-L42 VanDerWaalsContact CG-CD2 3.49Å; P32-I43 HydrophobicContact CB-CD1 4.41Å; P32-I43 HydrophobicContact CB-CG1 4.42Å; P32-I43 HydrophobicContact CG-CD1 4.46Å; P32-I43 HydrophobicContact CG-CG1 3.98Å
33T87.6Confident88.4Confident135 Ų13598.2 Ų98.283%0.82849%0.491SS*.  trans-105.2143.217158.30000109.6
34S88Confident88.5Confident39 Ų3998.8 Ų98.827%0.27350%0.497SS..  trans-124.7144.3174.2169.20000110Y36 N39S34-Y36 PolarHBondContact OG-N 3.17Å; S34-Y36 VanDerWaalsContact OG-N 3.08Å; S34-N39 WeakPolarHBondContact CB-OD1 3.28Å; S34-N39 PolarHBondContact OG-OD1 2.91Å
35K87.4Confident88.7Confident215 Ų215100.5 Ų100.594%0.93551%0.51SS*.  trans-85.8-13.7174.8-62.5-179.3-178.9177.90112.7
36Y87.9Confident88.8Confident186 Ų18696.7 Ų96.773%0.72949%0.489SS*.SBendtrans-82153.8-175.2-60-73.5000112.1S34 N39S34-Y36 PolarHBondContact OG-N 3.17Å; S34-Y36 VanDerWaalsContact OG-N 3.08Å; Y36-N39 PolarHBondContact O-ND2 3.39Å; Y36-N39 PolarHBondContact O-OD1 3.15Å
37L80.4Confident88.9Confident177 Ų17796.8 Ų96.893%0.92749%0.491SS*.SBendtrans-73.1-41176.9-171.673.1000111.4
38I87.7Confident89.1Confident157 Ų157104.7 Ų104.781%0.80552%0.52SS*.SBendtrans-98112.2173.9-58.7171.6000107.1
39N90.8Very high89.4Confident24 Ų24105.9 Ų105.913%0.12852%0.522CS..  trans-107.4167.9-174.3-74.1-22000112.6S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.28Å; S34-N39 PolarHBondContact OG-OD1 2.91Å; Y36-N39 PolarHBondContact O-ND2 3.39Å; Y36-N39 PolarHBondContact O-OD1 3.15Å; N39-I43 HydrophobicContact CB-CB 3.94Å; N39-I43 HydrophobicContact CB-CG2 3.8Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.34Å; N39-T44 HydrophobicContact CB-CG2 4.14Å; N39-Q47 PolarHBondContact ND2-NE2 3.14Å
40N90.8Very high89.5Confident115 Ų115102.4 Ų102.462%0.61550%0.504SS*.  trans-63.4153.3172.2-165.21.2000111.1L42 I43 T44N40-L42 PolarHBondContact O-N 2.86Å; N40-L42 VanDerWaalsContact O-N 3.15Å; N40-I43 PolarHBondContact O-N 3.33Å; N40-T44 PolarHBondContact O-N 3.13Å
41R90.2Very high89.7Confident210 Ų210106.3 Ų106.379%0.79252%0.517SS*.Hα-helixtrans-52-38.9-178.3-64-177.4-179.5-176.50.3112.9T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.42Å; R41-T44 PolarHBondContact O-N 3.19Å; R41-T44 PolarHBondContact O-OG1 3.07Å; R41-T45 WeakPolarHBondContact O-CG2 3.46Å; R41-T45 PolarHBondContact O-N 3.27Å; R41-T45 PolarHBondContact O-OG1 3.38Å
42L90.4Very high89.9Confident84 Ų84106.8 Ų106.844%0.4452%0.52SS..Hα-helixtrans-63.3-47.8177.8-174.4153.9000111P32 N40 T44 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.49Å; P32-L42 VanDerWaalsContact CG-CD2 3.49Å; N40-L42 PolarHBondContact O-N 2.86Å; N40-L42 VanDerWaalsContact O-N 3.15Å; L42-T44 VanDerWaalsContact C-N 3.34Å; L42-T44 PolarHBondContact O-N 3.44Å; L42-T45 PolarHBondContact O-N 3.44Å; L42-T45 PolarHBondContact O-OG1 2.83Å; L42-Q46 VanDerWaalsContact CD2-CD 3.4Å; L42-Q46 HydrophobicContact CD2-CG 4.2Å; L42-Q46 VanDerWaalsContact CD2-NE2 3.35Å; L42-Q46 WeakPolarHBondContact O-CG 3.01Å; L42-Q46 PolarHBondContact O-N 3.47Å
43I92.4Very high90Very high18 Ų18105.3 Ų105.39%0.09251%0.51CS..Hα-helixtrans-66.1-37.3179.7-60.4173.8000110.8P32 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.41Å; P32-I43 HydrophobicContact CB-CG1 4.42Å; P32-I43 HydrophobicContact CG-CD1 4.46Å; P32-I43 HydrophobicContact CG-CG1 3.98Å; N39-I43 HydrophobicContact CB-CB 3.94Å; N39-I43 HydrophobicContact CB-CG2 3.8Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.34Å; N40-I43 PolarHBondContact O-N 3.33Å; I43-Q46 PolarHBondContact O-N 3.41Å; I43-Q47 HydrophobicContact CG2-CG 4.27Å; I43-Q47 WeakPolarHBondContact O-CB 3.18Å; I43-Q47 VanDerWaalsContact O-CG 3.27Å; I43-Q47 WeakPolarHBondContact O-CG 3.19Å; I43-Q47 PolarHBondContact O-N 2.96Å
44T92Very high90.1Very high63 Ų63100.2 Ų100.239%0.38748%0.48SS..Hα-helixtrans-66.7-41177.560.30000111.9N39 N40 R41 L42 Q47 W48N39-T44 HydrophobicContact CB-CG2 4.14Å; N40-T44 PolarHBondContact O-N 3.13Å; R41-T44 WeakPolarHBondContact CA-OG1 3.42Å; R41-T44 PolarHBondContact O-N 3.19Å; R41-T44 PolarHBondContact O-OG1 3.07Å; L42-T44 VanDerWaalsContact C-N 3.34Å; L42-T44 PolarHBondContact O-N 3.44Å; T44-Q47 PolarHBondContact O-N 3.33Å; T44-W48 WeakPolarHBondContact O-CB 3.42Å; T44-W48 PolarHBondContact O-N 3.27Å
45T91.6Very high90.2Very high86 Ų86105.7 Ų105.753%0.52850%0.499SS..Hα-helixtrans-65-39.7174.359.80000112.2R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.46Å; R41-T45 PolarHBondContact O-N 3.27Å; R41-T45 PolarHBondContact O-OG1 3.38Å; L42-T45 PolarHBondContact O-N 3.44Å; L42-T45 PolarHBondContact O-OG1 2.83Å; T45-W48 PolarHBondContact O-N 3.08Å; T45-L49 WeakPolarHBondContact O-CB 3.3Å; T45-L49 PolarHBondContact O-N 2.99Å
46Q91.6Very high90.2Very high38 Ų38101.3 Ų101.318%0.17848%0.482CS..Hα-helixtrans-62.8-48.1174.7-73.9178.4-22.300111.9L30 L42 I43 W48 L49 I50L30-Q46 PolarHBondContact O-NE2 3.43Å; L42-Q46 VanDerWaalsContact CD2-CD 3.4Å; L42-Q46 HydrophobicContact CD2-CG 4.2Å; L42-Q46 VanDerWaalsContact CD2-NE2 3.35Å; L42-Q46 WeakPolarHBondContact O-CG 3.01Å; L42-Q46 PolarHBondContact O-N 3.47Å; I43-Q46 PolarHBondContact O-N 3.41Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 2.93Å; Q46-L49 PolarHBondContact O-N 2.99Å; Q46-I50 WeakPolarHBondContact O-CG1 3.36Å; Q46-I50 PolarHBondContact O-N 3.07Å
47Q91Very high90.1Very high97 Ų9793.2 Ų93.245%0.45345%0.451SS..Hα-helixtrans-61.7-38.8177.4-74.3177.1-13.500111.8N39 I43 T44 K51N39-Q47 PolarHBondContact ND2-NE2 3.14Å; I43-Q47 HydrophobicContact CG2-CG 4.27Å; I43-Q47 WeakPolarHBondContact O-CB 3.18Å; I43-Q47 VanDerWaalsContact O-CG 3.27Å; I43-Q47 WeakPolarHBondContact O-CG 3.19Å; I43-Q47 PolarHBondContact O-N 2.96Å; T44-Q47 PolarHBondContact O-N 3.33Å; Q47-K51 VanDerWaalsContact O-CB 3.32Å; Q47-K51 WeakPolarHBondContact O-CB 3.31Å; Q47-K51 PolarHBondContact O-N 3.42Å
48W92.9Very high90.3Very high170 Ų17085.7 Ų85.764%0.64441%0.411SS*.Hα-helixtrans-63.4-44.9175-178.282000111.8T44 T45 Q46 K51 L52T44-W48 WeakPolarHBondContact O-CB 3.42Å; T44-W48 PolarHBondContact O-N 3.27Å; T45-W48 PolarHBondContact O-N 3.08Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 2.93Å; W48-K51 PolarHBondContact O-N 3.3Å; W48-L52 HydrophobicContact CD2-CD1 3.71Å; W48-L52 HydrophobicContact CD2-CG 4.37Å; W48-L52 VanDerWaalsContact CE2-CD1 3.48Å; W48-L52 HydrophobicContact CE3-CD1 3.76Å; W48-L52 HydrophobicContact CH2-CD1 3.41Å; W48-L52 VanDerWaalsContact CH2-CD1 3.41Å; W48-L52 HydrophobicContact CZ2-CD1 3.36Å; W48-L52 HydrophobicContact CZ2-CG 4.43Å; W48-L52 HydrophobicContact CZ3-CD1 3.6Å; W48-L52 WeakPolarHBondContact O-CG 3.37Å; W48-L52 PolarHBondContact O-N 2.74Å
49L91.5Very high90.2Very high93 Ų9382.2 Ų82.249%0.48740%0.398SS..Hα-helixtrans-64.4-42.8177.5-169.3141.1000112.2T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CB 3.3Å; T45-L49 PolarHBondContact O-N 2.99Å; Q46-L49 PolarHBondContact O-N 2.99Å; L49-K51 VanDerWaalsContact C-N 3.33Å; L49-K51 PolarHBondContact O-N 3.29Å; L49-L52 PolarHBondContact O-N 3.35Å; L49-T53 HydrophobicContact CD2-CG2 4.28Å; L49-T53 WeakPolarHBondContact O-CG2 3.33Å; L49-T53 PolarHBondContact O-N 3.15Å; L49-T53 PolarHBondContact O-OG1 2.99Å
50I92.1Very high89.6Confident62 Ų6287.3 Ų87.332%0.31842%0.422SS..Hα-helixtrans-60.3-42.9173.8-71.7160.6000111Q46 T53 S54 V73 I77Q46-I50 WeakPolarHBondContact O-CG1 3.36Å; Q46-I50 PolarHBondContact O-N 3.07Å; I50-T53 WeakPolarHBondContact CA-OG1 3.4Å; I50-T53 PolarHBondContact O-OG1 2.85Å; I50-T53 VanDerWaalsContact O-OG1 3.06Å; I50-S54 VanDerWaalsContact O-CB 3.3Å; I50-S54 WeakPolarHBondContact O-CB 3.24Å; I50-S54 PolarHBondContact O-N 3.27Å; I50-S54 PolarHBondContact O-OG 3.42Å; I50-V73 HydrophobicContact CG2-CG1 3.99Å; I50-I77 HydrophobicContact CD1-CD1 4.15Å; I50-I77 HydrophobicContact CG1-CD1 3.55Å
51K91.8Very high89.3Confident151 Ų15182.1 Ų82.166%0.65739%0.394SS*.Hα-helixtrans-66.5-39179.9-174176.7-178.6178.70111.8Q47 W48 L49 S54 K55Q47-K51 VanDerWaalsContact O-CB 3.32Å; Q47-K51 WeakPolarHBondContact O-CB 3.31Å; Q47-K51 PolarHBondContact O-N 3.42Å; W48-K51 PolarHBondContact O-N 3.3Å; L49-K51 VanDerWaalsContact C-N 3.33Å; L49-K51 PolarHBondContact O-N 3.29Å; K51-S54 PolarHBondContact O-OG 2.97Å; K51-S54 VanDerWaalsContact O-OG 3.1Å; K51-K55 VanDerWaalsContact O-CB 3.23Å; K51-K55 WeakPolarHBondContact O-CB 3.39Å; K51-K55 PolarHBondContact O-N 2.78Å; K51-K55 VanDerWaalsContact O-N 3.07Å
52L92.2Very high89Confident67 Ų6777.2 Ų77.235%0.35138%0.384SS..Hα-helixtrans-68.3-50.1178.6-75.4177.9000112W48 L49 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.71Å; W48-L52 HydrophobicContact CD2-CG 4.37Å; W48-L52 VanDerWaalsContact CE2-CD1 3.48Å; W48-L52 HydrophobicContact CE3-CD1 3.76Å; W48-L52 HydrophobicContact CH2-CD1 3.41Å; W48-L52 VanDerWaalsContact CH2-CD1 3.41Å; W48-L52 HydrophobicContact CZ2-CD1 3.36Å; W48-L52 HydrophobicContact CZ2-CG 4.43Å; W48-L52 HydrophobicContact CZ3-CD1 3.6Å; W48-L52 WeakPolarHBondContact O-CG 3.37Å; W48-L52 PolarHBondContact O-N 2.74Å; L49-L52 PolarHBondContact O-N 3.35Å; L52-K55 PolarHBondContact O-N 3.39Å; L52-Q56 WeakPolarHBondContact O-CG 3.35Å; L52-Q56 PolarHBondContact O-N 3.46Å
53T89.3Confident88.5Confident25 Ų2578.8 Ų78.815%0.15340%0.397CS..Hα-helixtrans-61.4-47.9179.949.90000111.4L49 I50 K55 Q56 M57L49-T53 HydrophobicContact CD2-CG2 4.28Å; L49-T53 WeakPolarHBondContact O-CG2 3.33Å; L49-T53 PolarHBondContact O-N 3.15Å; L49-T53 PolarHBondContact O-OG1 2.99Å; I50-T53 WeakPolarHBondContact CA-OG1 3.4Å; I50-T53 PolarHBondContact O-OG1 2.85Å; I50-T53 VanDerWaalsContact O-OG1 3.06Å; T53-K55 PolarHBondContact O-N 2.91Å; T53-Q56 PolarHBondContact O-N 3.39Å; T53-M57 WeakPolarHBondContact O-CB 3.42Å; T53-M57 WeakPolarHBondContact O-CG 3.48Å; T53-M57 PolarHBondContact O-N 2.94Å
54S89.9Confident88Confident28 Ų2884 Ų8420%0.19642%0.419CS..Hα-helixtrans-60.6-42.1175.658.10000112.5I50 K51 M58I50-S54 VanDerWaalsContact O-CB 3.3Å; I50-S54 WeakPolarHBondContact O-CB 3.24Å; I50-S54 PolarHBondContact O-N 3.27Å; I50-S54 PolarHBondContact O-OG 3.42Å; K51-S54 PolarHBondContact O-OG 2.97Å; K51-S54 VanDerWaalsContact O-OG 3.1Å; S54-M58 VanDerWaalsContact O-CB 3.24Å; S54-M58 WeakPolarHBondContact O-CB 3.21Å; S54-M58 WeakPolarHBondContact O-CG 3.31Å; S54-M58 PolarHBondContact O-N 3.38Å
55K89.6Confident87.4Confident153 Ų15381 Ų8167%0.66540%0.4SS*.Hα-helixtrans-62.1-45.6177.8-174.3180178.9-174.80111.8K51 L52 T53 T59K51-K55 VanDerWaalsContact O-CB 3.23Å; K51-K55 WeakPolarHBondContact O-CB 3.39Å; K51-K55 PolarHBondContact O-N 2.78Å; K51-K55 VanDerWaalsContact O-N 3.07Å; L52-K55 PolarHBondContact O-N 3.39Å; T53-K55 PolarHBondContact O-N 2.91Å; K55-T59 WeakPolarHBondContact O-CG2 3.34Å; K55-T59 PolarHBondContact O-N 2.93Å
56Q87.3Confident87Confident124 Ų12483.3 Ų83.358%0.57940%0.4SS*.Hα-helixtrans-68.7-39.7-178.7-74.3-179.8-26.100112.8L52 T53 T59L52-Q56 WeakPolarHBondContact O-CG 3.35Å; L52-Q56 PolarHBondContact O-N 3.46Å; T53-Q56 PolarHBondContact O-N 3.39Å; Q56-T59 PolarHBondContact O-OG1 3.1Å
57M85.5Confident86.8Confident15 Ų1586.2 Ų86.27%0.07442%0.42CS..Hα-helixtrans-74.2-36.6-179.8-67.7-169.7141.500112.5T53 T59 H61 I76 T215T53-M57 WeakPolarHBondContact O-CB 3.42Å; T53-M57 WeakPolarHBondContact O-CG 3.48Å; T53-M57 PolarHBondContact O-N 2.94Å; M57-T59 VanDerWaalsContact C-N 3.35Å; M57-T59 PolarHBondContact O-N 3.19Å; M57-H61 PolarHBondContact O-ND1 3.33Å; M57-I76 HydrophobicContact CE-CD1 4.11Å; M57-T215 VanDerWaalsContact CE-OG1 3.25Å; M57-T215 WeakPolarHBondContact CE-OG1 3.34Å
58M86.1Confident86.7Confident19 Ų1983.7 Ų83.79%0.09441%0.407CS..Hα-helixtrans-83-8.1-174.6-64.6-50.7112.600114.4S54 M60 H61 R66 S69 L72S54-M58 VanDerWaalsContact O-CB 3.24Å; S54-M58 WeakPolarHBondContact O-CB 3.21Å; S54-M58 WeakPolarHBondContact O-CG 3.31Å; S54-M58 PolarHBondContact O-N 3.38Å; M58-M60 PolarHBondContact O-N 3Å; M58-H61 PolarHBondContact O-N 3.31Å; M58-R66 HydrophobicContact CB-CG 4.41Å; M58-R66 HydrophobicContact SD-CG 4.31Å; M58-S69 VanDerWaalsContact SD-CB 3.58Å; M58-L72 HydrophobicContact CE-CD1 3.74Å
59T85.1Confident86.4Confident85 Ų8577 Ų7752%0.52139%0.386SS..THydrogen-bonded Turntrans-62.7-34.1173.554.30000112K55 Q56 M57 H61K55-T59 WeakPolarHBondContact O-CG2 3.34Å; K55-T59 PolarHBondContact O-N 2.93Å; Q56-T59 PolarHBondContact O-OG1 3.1Å; M57-T59 VanDerWaalsContact C-N 3.35Å; M57-T59 PolarHBondContact O-N 3.19Å; T59-H61 VanDerWaalsContact C-N 3.31Å; T59-H61 PolarHBondContact O-N 3.35Å
60M78.7Confident86.4Confident131 Ų13179.7 Ų79.765%0.64540%0.4SS*.THydrogen-bonded Turntrans-79.5-10.8-178.6-58.5-61.9160.800113.3M58 H223M58-M60 PolarHBondContact O-N 3Å; M60-H223 PolarHBondContact O-CE1 2.89Å; M60-H223 PolarHBondContact O-ND1 3.42Å
61H84.6Confident86.4Confident5 Ų579.8 Ų79.82%0.02340%0.4CS..  trans-108.9139.1-168.5-69.177.6000113.6M57 M58 T59 R66 S219M57-H61 PolarHBondContact O-ND1 3.33Å; M58-H61 PolarHBondContact O-N 3.31Å; T59-H61 VanDerWaalsContact C-N 3.31Å; T59-H61 PolarHBondContact O-N 3.35Å; H61-R66 HydrophobicContact CB-CG 4.32Å; H61-R66 PolarHBondContact O-NE 3.18Å; H61-S219 PolarHBondContact NE2-O 3.09Å
62N82.3Confident86.4Confident107 Ų10772.7 Ų72.757%0.57237%0.369SS*.  trans-70170.3168.6-80.6-20.1000112.3K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.27Å; N62-K64 PolarHBondContact O-N 3.35Å; N62-G65 PolarHBondContact O-N 3.25Å; N62-R66 WeakPolarHBondContact O-CG 3.42Å; N62-R66 PolarHBondContact O-N 2.63Å
63T81.5Confident86.3Confident118 Ų11870.2 Ų70.272%0.72436%0.356SS*.THydrogen-bonded Turntrans-53.7-38.4-176.553.70000113.9
64K80.6Confident86.5Confident126 Ų12672.1 Ų72.155%0.54837%0.371SS..THydrogen-bonded Turntrans-67.3-45.3174.5-69.4-176.8-177.5176.20112.2N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.27Å; N62-K64 PolarHBondContact O-N 3.35Å; K64-R66 VanDerWaalsContact C-N 3.28Å; K64-R66 PolarHBondContact O-N 3.49Å; K64-T67 WeakPolarHBondContact O-CB 3.21Å; K64-T67 PolarHBondContact O-N 3.23Å; K64-T67 PolarHBondContact O-OG1 3.06Å
65G79.6Confident86.5Confident0 Ų071.5 Ų71.50%037%0.365CS..G310 helixtrans-63.7-32.1177.500000113N62 T67 W68N62-G65 PolarHBondContact O-N 3.25Å; G65-T67 PolarHBondContact O-N 3.02Å; G65-T67 VanDerWaalsContact O-N 3.14Å; G65-W68 WeakPolarHBondContact O-CB 3.22Å; G65-W68 PolarHBondContact O-N 3.42Å
66R84.5Confident86.6Confident135 Ų13565.1 Ų65.151%0.50934%0.338SS..G310 helixtrans-62.6-19.9176-71.2179.8-174-176.10.9114.1M58 H61 N62 K64 W68 S69M58-R66 HydrophobicContact CB-CG 4.41Å; M58-R66 HydrophobicContact SD-CG 4.31Å; H61-R66 HydrophobicContact CB-CG 4.32Å; H61-R66 PolarHBondContact O-NE 3.18Å; N62-R66 WeakPolarHBondContact O-CG 3.42Å; N62-R66 PolarHBondContact O-N 2.63Å; K64-R66 VanDerWaalsContact C-N 3.28Å; K64-R66 PolarHBondContact O-N 3.49Å; R66-W68 PolarHBondContact O-N 3Å; R66-S69 WeakPolarHBondContact O-CB 3.46Å; R66-S69 PolarHBondContact O-N 3.18Å; R66-S69 VanDerWaalsContact O-N 3.1Å
67T87.1Confident86.9Confident100 Ų10060.7 Ų60.761%0.61332%0.318SS*.G310 helixtrans-63.1-25.217462.80000112.4K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.21Å; K64-T67 PolarHBondContact O-N 3.23Å; K64-T67 PolarHBondContact O-OG1 3.06Å; G65-T67 PolarHBondContact O-N 3.02Å; G65-T67 VanDerWaalsContact O-N 3.14Å; T67-S69 VanDerWaalsContact C-N 3.3Å; T67-S69 PolarHBondContact O-N 3.28Å
68W87.6Confident87.1Confident44 Ų4462.3 Ų62.317%0.16733%0.325CS..G310 helixtrans-85.40.6177.2-74.852.3000113.7G65 R66 L70 M71 L72 M115 L222G65-W68 WeakPolarHBondContact O-CB 3.22Å; G65-W68 PolarHBondContact O-N 3.42Å; R66-W68 PolarHBondContact O-N 3Å; W68-L70 VanDerWaalsContact C-N 3.29Å; W68-L70 PolarHBondContact O-N 2.81Å; W68-M71 HydrophobicContact CD2-CE 3.69Å; W68-M71 HydrophobicContact CE3-CE 2.96Å; W68-M71 HydrophobicContact CH2-CE 3.67Å; W68-M71 HydrophobicContact CZ2-CE 4.32Å; W68-M71 HydrophobicContact CZ3-CE 2.96Å; W68-M71 PolarHBondContact O-N 2.99Å; W68-L72 PolarHBondContact O-N 2.96Å; W68-M115 HydrophobicContact CZ2-SD 3.97Å; W68-M115 PolarHBondContact NE1-SD 3.37Å; W68-L222 HydrophobicContact CB-CD2 3.48Å; W68-L222 VanDerWaalsContact CB-CD2 3.48Å; W68-L222 HydrophobicContact CD2-CD1 3.66Å; W68-L222 HydrophobicContact CD2-CD2 3.97Å; W68-L222 HydrophobicContact CD2-CG 4.48Å; W68-L222 HydrophobicContact CE3-CD1 3.8Å; W68-L222 HydrophobicContact CE3-CD2 4.19Å; W68-L222 HydrophobicContact CG-CD1 4.03Å; W68-L222 HydrophobicContact CG-CD2 3.62Å; W68-L222 HydrophobicContact CZ2-CD1 4.41Å; W68-L222 HydrophobicContact CZ3-CD1 4.25Å
69S88.4Confident87.4Confident30 Ų3061.4 Ų61.421%0.2132%0.32CS..Hα-helixtrans-53-46.1-1781790000112.3M58 R66 T67 M71 L72 V73M58-S69 VanDerWaalsContact SD-CB 3.58Å; R66-S69 WeakPolarHBondContact O-CB 3.46Å; R66-S69 PolarHBondContact O-N 3.18Å; R66-S69 VanDerWaalsContact O-N 3.1Å; T67-S69 VanDerWaalsContact C-N 3.3Å; T67-S69 PolarHBondContact O-N 3.28Å; S69-M71 VanDerWaalsContact C-N 3.3Å; S69-M71 PolarHBondContact O-N 3.4Å; S69-L72 PolarHBondContact O-N 3.33Å; S69-V73 WeakPolarHBondContact O-CB 3.23Å; S69-V73 VanDerWaalsContact O-CG2 3.24Å; S69-V73 WeakPolarHBondContact O-CG2 3.34Å; S69-V73 PolarHBondContact O-N 3.21Å
70L91.4Very high87.7Confident149 Ų14958.7 Ų58.778%0.7831%0.307SS*.Hα-helixtrans-57.9-44.7179.3-170.597.4000111.4W68 S74W68-L70 VanDerWaalsContact C-N 3.29Å; W68-L70 PolarHBondContact O-N 2.81Å; L70-S74 WeakPolarHBondContact O-CB 3.31Å; L70-S74 PolarHBondContact O-N 3.37Å; L70-S74 PolarHBondContact O-OG 2.98Å
71M91.5Very high88.3Confident64 Ų6454.7 Ų54.732%0.31529%0.287SS..Hα-helixtrans-66.8-47.4-178.3-173.6160.966.600111.3W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 3.69Å; W68-M71 HydrophobicContact CE3-CE 2.96Å; W68-M71 HydrophobicContact CH2-CE 3.67Å; W68-M71 HydrophobicContact CZ2-CE 4.32Å; W68-M71 HydrophobicContact CZ3-CE 2.96Å; W68-M71 PolarHBondContact O-N 2.99Å; S69-M71 VanDerWaalsContact C-N 3.3Å; S69-M71 PolarHBondContact O-N 3.4Å; M71-V73 VanDerWaalsContact C-N 3.33Å; M71-V73 PolarHBondContact O-N 3.13Å; M71-S74 WeakPolarHBondContact CA-OG 3.49Å; M71-S74 PolarHBondContact O-N 3.14Å; M71-S74 PolarHBondContact O-OG 2.92Å; M71-L75 VanDerWaalsContact O-CB 3.27Å; M71-L75 WeakPolarHBondContact O-CB 3.45Å; M71-L75 PolarHBondContact O-N 3.36Å; M71-L108 HydrophobicContact CE-CD2 3.59Å; M71-L108 HydrophobicContact CG-CD2 4.03Å; M71-L108 HydrophobicContact SD-CD2 3.54Å; M71-L108 VanDerWaalsContact SD-CD2 3.54Å
72L90.9Very high88.6Confident1 Ų154.6 Ų54.61%0.00529%0.287CS..Hα-helixtrans-61.3-41179-69.2170000112.2M58 W68 S69 L75 I76 V218M58-L72 HydrophobicContact CE-CD1 3.74Å; W68-L72 PolarHBondContact O-N 2.96Å; S69-L72 PolarHBondContact O-N 3.33Å; L72-L75 PolarHBondContact O-N 3.08Å; L72-I76 PolarHBondContact O-N 3.09Å; L72-I76 VanDerWaalsContact O-N 3.08Å; L72-V218 HydrophobicContact CD2-CB 4.24Å; L72-V218 HydrophobicContact CD2-CG1 3.87Å
73V91.9Very high89Confident15 Ų1549.6 Ų49.69%0.09126%0.26CS..Hα-helixtrans-68-41.3176.71730000111.4I50 S69 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.99Å; S69-V73 WeakPolarHBondContact O-CB 3.23Å; S69-V73 VanDerWaalsContact O-CG2 3.24Å; S69-V73 WeakPolarHBondContact O-CG2 3.34Å; S69-V73 PolarHBondContact O-N 3.21Å; M71-V73 VanDerWaalsContact C-N 3.33Å; M71-V73 PolarHBondContact O-N 3.13Å; V73-L75 VanDerWaalsContact C-N 3.3Å; V73-L75 PolarHBondContact O-N 3.11Å; V73-I76 VanDerWaalsContact O-CG2 3.31Å; V73-I76 WeakPolarHBondContact O-CG2 3.42Å; V73-I77 HydrophobicContact CG1-CD1 3.88Å; V73-I77 WeakPolarHBondContact O-CD1 3.44Å; V73-I77 WeakPolarHBondContact O-CG1 3.27Å; V73-I77 PolarHBondContact O-N 3.22Å
74S91.8Very high89.4Confident65 Ų6548.2 Ų48.246%0.45525%0.248SC..Hα-helixtrans-64.2-38.3176.270.40000112L70 M71 F78L70-S74 WeakPolarHBondContact O-CB 3.31Å; L70-S74 PolarHBondContact O-N 3.37Å; L70-S74 PolarHBondContact O-OG 2.98Å; M71-S74 WeakPolarHBondContact CA-OG 3.49Å; M71-S74 PolarHBondContact O-N 3.14Å; M71-S74 PolarHBondContact O-OG 2.92Å; S74-F78 VanDerWaalsContact O-CB 3.26Å; S74-F78 WeakPolarHBondContact O-CB 3.09Å; S74-F78 PolarHBondContact O-N 3.26Å
75L91.3Very high89.9Confident16 Ų1643.8 Ų43.88%0.08423%0.23CC..Hα-helixtrans-66-47.8-179.5-175.579.1000112M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 VanDerWaalsContact O-CB 3.27Å; M71-L75 WeakPolarHBondContact O-CB 3.45Å; M71-L75 PolarHBondContact O-N 3.36Å; L72-L75 PolarHBondContact O-N 3.08Å; V73-L75 VanDerWaalsContact C-N 3.3Å; V73-L75 PolarHBondContact O-N 3.11Å; L75-I77 VanDerWaalsContact C-N 3.32Å; L75-I77 PolarHBondContact O-N 3.32Å; L75-F78 PolarHBondContact O-N 2.9Å; L75-I79 HydrophobicContact CD1-CD1 4.09Å; L75-I79 HydrophobicContact CG-CD1 3.93Å; L75-I79 WeakPolarHBondContact O-CG1 3.02Å; L75-I79 PolarHBondContact O-N 3.34Å; L75-L108 HydrophobicContact CD1-CD1 3.43Å; L75-L108 VanDerWaalsContact CD1-CD1 3.43Å; L75-L108 HydrophobicContact CD2-CD1 3.79Å; L75-L108 HydrophobicContact CG-CD1 4.26Å; L75-F214 HydrophobicContact CD1-CE1 4.11Å; L75-F214 HydrophobicContact CD2-CD1 3.88Å; L75-F214 HydrophobicContact CD2-CE1 3.8Å; L75-F214 HydrophobicContact CG-CD1 4.33Å; L75-F214 HydrophobicContact CG-CE1 4.21Å; L75-T215 HydrophobicContact CB-CG2 4.08Å; L75-T215 HydrophobicContact CD2-CG2 3.47Å; L75-T215 VanDerWaalsContact CD2-CG2 3.47Å; L75-T215 HydrophobicContact CG-CG2 3.72Å
76I91.9Very high90.2Very high18 Ų1843.9 Ų43.99%0.09223%0.231CC..Hα-helixtrans-64.2-40.8-178.9-166.4172.3000111M57 L72 V73 A80 A211 Y212 T215M57-I76 HydrophobicContact CE-CD1 4.11Å; L72-I76 PolarHBondContact O-N 3.09Å; L72-I76 VanDerWaalsContact O-N 3.08Å; V73-I76 VanDerWaalsContact O-CG2 3.31Å; V73-I76 WeakPolarHBondContact O-CG2 3.42Å; I76-A80 WeakPolarHBondContact O-CB 3.31Å; I76-A80 PolarHBondContact O-N 3.17Å; I76-A211 HydrophobicContact CG1-CB 4.46Å; I76-Y212 HydrophobicContact CD1-CD2 4.17Å; I76-T215 VanDerWaalsContact CA-CG2 3.45Å; I76-T215 HydrophobicContact CB-CG2 3.5Å; I76-T215 VanDerWaalsContact CB-CG2 3.5Å; I76-T215 WeakPolarHBondContact CD1-OG1 3.41Å; I76-T215 HydrophobicContact CG1-CG2 4.06Å
77I91.8Very high90.3Very high31 Ų3139.3 Ų39.316%0.15922%0.216CC..Hα-helixtrans-68-42.6178.4-67.4167.6000110.4I31 I50 V73 L75 M81I31-I77 HydrophobicContact CD1-CG2 3.42Å; I31-I77 VanDerWaalsContact CD1-CG2 3.42Å; I50-I77 HydrophobicContact CD1-CD1 4.15Å; I50-I77 HydrophobicContact CG1-CD1 3.55Å; V73-I77 HydrophobicContact CG1-CD1 3.88Å; V73-I77 WeakPolarHBondContact O-CD1 3.44Å; V73-I77 WeakPolarHBondContact O-CG1 3.27Å; V73-I77 PolarHBondContact O-N 3.22Å; L75-I77 VanDerWaalsContact C-N 3.32Å; L75-I77 PolarHBondContact O-N 3.32Å; I77-M81 HydrophobicContact CG2-CG 4.2Å; I77-M81 WeakPolarHBondContact O-CB 3.5Å; I77-M81 WeakPolarHBondContact O-CG 3.22Å; I77-M81 PolarHBondContact O-N 3.08Å
78F91.4Very high90.3Very high49 Ų4939.3 Ų39.322%0.21521%0.212CC..Hα-helixtrans-59.6-53.8178179.5-103.5000111.7I24 S74 L75 A80 M81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.27Å; S74-F78 VanDerWaalsContact O-CB 3.26Å; S74-F78 WeakPolarHBondContact O-CB 3.09Å; S74-F78 PolarHBondContact O-N 3.26Å; L75-F78 PolarHBondContact O-N 2.9Å; F78-A80 PolarHBondContact O-N 3.02Å; F78-M81 PolarHBondContact O-N 3.12Å; F78-T82 HydrophobicContact CD2-CG2 4.37Å; F78-T82 HydrophobicContact CE1-CG2 4.14Å; F78-T82 HydrophobicContact CE2-CG2 3.96Å; F78-T82 HydrophobicContact CZ-CG2 3.83Å; F78-T82 WeakPolarHBondContact O-CG2 3.25Å; F78-T82 PolarHBondContact O-N 2.96Å; F78-T82 PolarHBondContact O-OG1 3.46Å; F78-T82 VanDerWaalsContact O-OG1 3.1Å; F78-M100 HydrophobicContact CE1-CE 3.82Å; F78-M100 HydrophobicContact CZ-CE 3.82Å; F78-M104 HydrophobicContact CD1-SD 3.92Å; F78-M104 HydrophobicContact CE1-CE 4.47Å; F78-M104 HydrophobicContact CE1-SD 3.6Å; F78-M104 VanDerWaalsContact CE1-SD 3.6Å
79I91.5Very high90.1Very high0 Ų042.6 Ų42.60%024%0.239CC..Hα-helixtrans-64.6-42.9-177.7-60.6168.5000110.9L75 M81 T82 N83 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 4.09Å; L75-I79 HydrophobicContact CG-CD1 3.93Å; L75-I79 WeakPolarHBondContact O-CG1 3.02Å; L75-I79 PolarHBondContact O-N 3.34Å; I79-M81 PolarHBondContact O-N 3.02Å; I79-T82 WeakPolarHBondContact CA-OG1 3.5Å; I79-T82 PolarHBondContact O-N 3.35Å; I79-T82 PolarHBondContact O-OG1 3.33Å; I79-N83 WeakPolarHBondContact O-CB 3.37Å; I79-N83 PolarHBondContact O-N 3.33Å; I79-N83 PolarHBondContact O-ND2 3.46Å; I79-N83 PolarHBondContact O-OD1 2.95Å; I79-L160 HydrophobicContact CG2-CD1 3.99Å; I79-L160 HydrophobicContact CG2-CD2 4.2Å; I79-A211 HydrophobicContact CB-CB 4.03Å; I79-A211 HydrophobicContact CG2-CB 3.78Å; I79-F214 HydrophobicContact CD1-CB 4.24Å; I79-F214 HydrophobicContact CD1-CD1 3.37Å; I79-F214 HydrophobicContact CD1-CD2 4.35Å; I79-F214 HydrophobicContact CD1-CE1 3.71Å; I79-F214 HydrophobicContact CD1-CG 3.74Å; I79-F214 HydrophobicContact CD1-CZ 4.34Å
80A91Very high89.8Confident28 Ų2850.9 Ų50.923%0.23127%0.274CS..Hα-helixtrans-61.5-44.7178.800000111.5I76 F78 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.31Å; I76-A80 PolarHBondContact O-N 3.17Å; F78-A80 PolarHBondContact O-N 3.02Å; A80-L84 VanDerWaalsContact O-CB 3.27Å; A80-L84 WeakPolarHBondContact O-CB 3.37Å; A80-L84 PolarHBondContact O-N 3.28Å; A80-A211 HydrophobicContact CB-CB 3.91Å
81M91.1Very high89.5Confident47 Ų4745.5 Ų45.523%0.23225%0.249CC..Hα-helixtrans-69-44.3179.7-64.9-67.7-91.600111.4P27 L30 I31 I77 F78 I79 N83 L84 L85P27-M81 HydrophobicContact CB-CB 3.85Å; L30-M81 HydrophobicContact CB-CE 3.84Å; L30-M81 HydrophobicContact CD1-CE 4.28Å; I31-M81 HydrophobicContact CG1-CE 4.35Å; I77-M81 HydrophobicContact CG2-CG 4.2Å; I77-M81 WeakPolarHBondContact O-CB 3.5Å; I77-M81 WeakPolarHBondContact O-CG 3.22Å; I77-M81 PolarHBondContact O-N 3.08Å; F78-M81 PolarHBondContact O-N 3.12Å; I79-M81 PolarHBondContact O-N 3.02Å; M81-N83 VanDerWaalsContact C-N 3.3Å; M81-N83 PolarHBondContact O-N 2.9Å; M81-L84 PolarHBondContact O-N 3.25Å; M81-L85 HydrophobicContact CB-CD1 4.39Å; M81-L85 WeakPolarHBondContact O-CB 3.39Å; M81-L85 WeakPolarHBondContact O-CD1 3.39Å; M81-L85 PolarHBondContact O-N 3.3Å
82T91Very high89.1Confident3 Ų343.7 Ų43.72%0.01824%0.239CC..Hα-helixtrans-60.4-39.5177.150.50000112.5P27 F78 I79 G86 P94 T95P27-T82 HydrophobicContact CB-CG2 4.39Å; P27-T82 HydrophobicContact CG-CG2 3.63Å; F78-T82 HydrophobicContact CD2-CG2 4.37Å; F78-T82 HydrophobicContact CE1-CG2 4.14Å; F78-T82 HydrophobicContact CE2-CG2 3.96Å; F78-T82 HydrophobicContact CZ-CG2 3.83Å; F78-T82 WeakPolarHBondContact O-CG2 3.25Å; F78-T82 PolarHBondContact O-N 2.96Å; F78-T82 PolarHBondContact O-OG1 3.46Å; F78-T82 VanDerWaalsContact O-OG1 3.1Å; I79-T82 WeakPolarHBondContact CA-OG1 3.5Å; I79-T82 PolarHBondContact O-N 3.35Å; I79-T82 PolarHBondContact O-OG1 3.33Å; T82-G86 PolarHBondContact O-N 3.3Å; T82-G86 VanDerWaalsContact O-N 3.12Å; T82-P94 HydrophobicContact CG2-CG 4.45Å; T82-T95 WeakPolarHBondContact OG1-CG2 3.39Å
83N91.4Very high88.8Confident2 Ų243.8 Ų43.81%0.01124%0.24CC..Hα-helixtrans-72.2-42.1-179.8-65.5-10.1000111.3I79 M81 G86 L87 T95 I164 A207I79-N83 WeakPolarHBondContact O-CB 3.37Å; I79-N83 PolarHBondContact O-N 3.33Å; I79-N83 PolarHBondContact O-ND2 3.46Å; I79-N83 PolarHBondContact O-OD1 2.95Å; M81-N83 VanDerWaalsContact C-N 3.3Å; M81-N83 PolarHBondContact O-N 2.9Å; N83-G86 WeakPolarHBondContact O-CA 3.49Å; N83-G86 PolarHBondContact O-N 2.75Å; N83-G86 VanDerWaalsContact O-N 3.12Å; N83-L87 PolarHBondContact O-N 3.29Å; N83-T95 WeakPolarHBondContact OD1-CB 3.34Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.08Å; N83-T95 PolarHBondContact OD1-OG1 3.05Å; N83-I164 HydrophobicContact CB-CD1 4.28Å; N83-I164 VanDerWaalsContact CG-CD1 3.42Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.38Å; N83-A207 HydrophobicContact CB-CB 3.88Å; N83-A207 PolarHBondContact ND2-O 3.08Å
84L90Very high88.3Confident90 Ų9043.5 Ų43.547%0.47124%0.239SC..Hα-helixtrans-70.5-40-178-165.4130.7000112.2A80 M81 G86 L87A80-L84 VanDerWaalsContact O-CB 3.27Å; A80-L84 WeakPolarHBondContact O-CB 3.37Å; A80-L84 PolarHBondContact O-N 3.28Å; M81-L84 PolarHBondContact O-N 3.25Å; L84-G86 PolarHBondContact O-N 3.28Å; L84-L87 PolarHBondContact O-N 3.37Å
85L89.8Confident88Confident33 Ų3340.5 Ų40.517%0.17322%0.217CC..Hα-helixtrans-61.6-31.9169.7-9083.3000111.8F26 L30 M81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD2 3.29Å; F26-L85 HydrophobicContact CE1-CD2 3.52Å; L30-L85 HydrophobicContact CD1-CD1 3.57Å; L30-L85 HydrophobicContact CD1-CD2 3.79Å; L30-L85 HydrophobicContact CD1-CG 4.13Å; M81-L85 HydrophobicContact CB-CD1 4.39Å; M81-L85 WeakPolarHBondContact O-CB 3.39Å; M81-L85 WeakPolarHBondContact O-CD1 3.39Å; M81-L85 PolarHBondContact O-N 3.3Å; L85-L87 VanDerWaalsContact C-N 3.26Å; L85-L87 PolarHBondContact O-N 2.78Å; L85-L88 VanDerWaalsContact O-CB 3.26Å; L85-L88 WeakPolarHBondContact O-CB 3.45Å; L85-L88 VanDerWaalsContact O-CG 3.3Å; L85-L88 WeakPolarHBondContact O-CG 3.28Å; L85-L88 PolarHBondContact O-N 3.38Å; L85-S91 PolarHBondContact O-OG 3.05Å
86G86.1Confident87.8Confident2 Ų240.1 Ų40.12%0.02122%0.216CC..Hα-helixtrans-60.4-30.9177.600000116.4T82 N83 L84 L88 S91 H168T82-G86 PolarHBondContact O-N 3.3Å; T82-G86 VanDerWaalsContact O-N 3.12Å; N83-G86 WeakPolarHBondContact O-CA 3.49Å; N83-G86 PolarHBondContact O-N 2.75Å; N83-G86 VanDerWaalsContact O-N 3.12Å; L84-G86 PolarHBondContact O-N 3.28Å; G86-L88 PolarHBondContact O-N 2.91Å; G86-S91 VanDerWaalsContact C-OG 3.27Å; G86-S91 WeakPolarHBondContact CA-OG 3.48Å; G86-S91 PolarHBondContact O-OG 2.91Å; G86-H168 PolarHBondContact O-CE1 3.42Å; G86-H168 PolarHBondContact O-NE2 2.85Å
87L87.1Confident87.7Confident38 Ų3842.5 Ų42.520%0.19923%0.226CC..THydrogen-bonded Turntrans-77.1-5.3179.7-61.1173.9000112.6N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 3.29Å; L84-L87 PolarHBondContact O-N 3.37Å; L85-L87 VanDerWaalsContact C-N 3.26Å; L85-L87 PolarHBondContact O-N 2.78Å; L87-M171 HydrophobicContact CD2-CE 3.93Å; L87-E203 HydrophobicContact CD1-CG 4.44Å; L87-E203 HydrophobicContact CD2-CB 4.2Å; L87-E203 HydrophobicContact CD2-CG 3.42Å; L87-E203 VanDerWaalsContact CD2-CG 3.42Å; L87-I204 HydrophobicContact CD1-CB 4.21Å; L87-I204 HydrophobicContact CD1-CG1 3.62Å; L87-A207 HydrophobicContact CD1-CB 4.08Å
88L87.6Confident87.5Confident100 Ų10044.2 Ų44.252%0.52424%0.236SC..SBendtrans-67.3143.5174.7-65.6172.6000110.5L85 G86 H90 S91L85-L88 VanDerWaalsContact O-CB 3.26Å; L85-L88 WeakPolarHBondContact O-CB 3.45Å; L85-L88 VanDerWaalsContact O-CG 3.3Å; L85-L88 WeakPolarHBondContact O-CG 3.28Å; L85-L88 PolarHBondContact O-N 3.38Å; G86-L88 PolarHBondContact O-N 2.91Å; L88-H90 PolarHBondContact O-N 3.48Å; L88-S91 WeakPolarHBondContact O-CB 3.36Å; L88-S91 PolarHBondContact O-N 3.35Å; L88-S91 VanDerWaalsContact O-N 3.14Å; L88-S91 PolarHBondContact O-OG 3.4Å
89P82.5Confident87.3Confident113 Ų11346 Ų4673%0.73425%0.254SS*.THydrogen-bonded Turntrans-58.6134.5-179.424.8-33.9000110.8S91P89-S91 PolarHBondContact O-N 3.47Å; P89-S91 VanDerWaalsContact O-N 3.1Å
90H82.9Confident87.1Confident204 Ų20447.8 Ų47.894%0.94426%0.263SS*.THydrogen-bonded Turntrans57.516.7-178.6-56.7-65.8000115.9L88L88-H90 PolarHBondContact O-N 3.48Å
91S84.6Confident87Confident36 Ų3646.5 Ų46.525%0.25225%0.252SS..  trans-81.1143.4172.172.50000111.2L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 3.05Å; G86-S91 VanDerWaalsContact C-OG 3.27Å; G86-S91 WeakPolarHBondContact CA-OG 3.48Å; G86-S91 PolarHBondContact O-OG 2.91Å; L88-S91 WeakPolarHBondContact O-CB 3.36Å; L88-S91 PolarHBondContact O-N 3.35Å; L88-S91 VanDerWaalsContact O-N 3.14Å; L88-S91 PolarHBondContact O-OG 3.4Å; P89-S91 PolarHBondContact O-N 3.47Å; P89-S91 VanDerWaalsContact O-N 3.1Å
92F82.8Confident86.8Confident27 Ų2746.3 Ų46.312%0.11825%0.252CS..  trans-89.8124.3171.8170.9-95.1000109.3S8 A11 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.39Å; A11-F92 HydrophobicContact CB-CZ 4.49Å; P12-F92 HydrophobicContact CG-CB 4.39Å; P12-F92 HydrophobicContact CG-CD1 4.12Å; P12-F92 HydrophobicContact CG-CD2 4.48Å; P12-F92 HydrophobicContact CG-CG 4.07Å; A20-F92 HydrophobicContact CB-CE1 4.3Å; I23-F92 HydrophobicContact CD1-CB 3.97Å; I23-F92 HydrophobicContact CD1-CD1 3.86Å; I23-F92 HydrophobicContact CD1-CG 4.3Å; I23-F92 HydrophobicContact CG2-CD1 4.43Å; F92-P94 HydrophobicContact CE1-CB 4.35Å; F92-P94 WeakPolarHBondContact O-CD 3.27Å; F92-Q97 HydrophobicContact CZ-CG 4.17Å
93T84.3Confident86.7Confident3 Ų349.2 Ų49.22%0.01828%0.276CS..  trans-92.7109.6177.928.50000111T95 T96 I164T93-T95 PolarHBondContact O-N 3.06Å; T93-T95 VanDerWaalsContact O-N 3.17Å; T93-T96 PolarHBondContact O-N 3.34Å; T93-T96 PolarHBondContact O-OG1 3.26Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.34Å; T93-I164 HydrophobicContact CG2-CG2 4.27Å
94P83Confident86.4Confident9 Ų950.3 Ų50.36%0.05828%0.282CS..G310 helixtrans-63.6-23.7176.926-33.6000112.7I24 T82 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.24Å; I24-P94 HydrophobicContact CG1-CB 3.68Å; I24-P94 HydrophobicContact CG1-CG 4.03Å; T82-P94 HydrophobicContact CG2-CG 4.45Å; F92-P94 HydrophobicContact CE1-CB 4.35Å; F92-P94 WeakPolarHBondContact O-CD 3.27Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 3.49Å; P94-Q97 PolarHBondContact O-N 3.1Å; P94-M100 WeakPolarHBondContact O-CB 3.27Å
95T85.9Confident86.3Confident1 Ų146.1 Ų46.11%0.00626%0.26CS..G310 helixtrans-76-7.2179.1510000114.5T82 N83 T93 Q97 N101 L160 I164T82-T95 WeakPolarHBondContact OG1-CG2 3.39Å; N83-T95 WeakPolarHBondContact OD1-CB 3.34Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.08Å; N83-T95 PolarHBondContact OD1-OG1 3.05Å; T93-T95 PolarHBondContact O-N 3.06Å; T93-T95 VanDerWaalsContact O-N 3.17Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; T95-N101 PolarHBondContact O-ND2 3.12Å; T95-L160 HydrophobicContact CG2-CD2 4.39Å; T95-I164 VanDerWaalsContact OG1-CD1 3.31Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.3Å
96T86.1Confident86.2Confident9 Ų948.4 Ų48.46%0.05527%0.272CS..G310 helixtrans-74.5-26.7169.356.80000112.3F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.85Å; F9-T96 HydrophobicContact CE1-CG2 3.74Å; T93-T96 PolarHBondContact O-N 3.34Å; T93-T96 PolarHBondContact O-OG1 3.26Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.34Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 3.49Å; T96-L98 PolarHBondContact O-N 3.27Å; T96-T161 WeakPolarHBondContact O-CG2 3.47Å; T96-I164 HydrophobicContact CG2-CB 4.37Å; T96-I164 HydrophobicContact CG2-CG2 3.67Å; T96-T165 HydrophobicContact CG2-CG2 3.73Å
97Q89.4Confident86.4Confident67 Ų6752.2 Ų52.231%0.31330%0.296SS..SBendtrans-78120178.2-66-63.4-29.100109.7F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 2.85Å; F92-Q97 HydrophobicContact CZ-CG 4.17Å; P94-Q97 PolarHBondContact O-N 3.1Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; Q97-S99 PolarHBondContact O-N 3.2Å; Q97-M100 PolarHBondContact O-N 2.88Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; Q97-N101 PolarHBondContact O-N 3.36Å
98L87.1Confident86.4Confident68 Ų6851.2 Ų51.236%0.35629%0.291SS..Hα-helixtrans-57.8-33.3178.6-176.763.8000112.1T96 M100 N101 L102 M154 A157 V158 T161T96-L98 PolarHBondContact O-N 3.27Å; L98-M100 VanDerWaalsContact C-N 3.33Å; L98-M100 PolarHBondContact O-N 3.39Å; L98-N101 PolarHBondContact O-N 3.14Å; L98-L102 WeakPolarHBondContact O-CB 3.42Å; L98-L102 PolarHBondContact O-N 3.29Å; L98-M154 HydrophobicContact CD2-CE 4.09Å; L98-A157 HydrophobicContact CD1-CB 4.37Å; L98-V158 HydrophobicContact CD1-CG2 3.9Å; L98-T161 VanDerWaalsContact CA-CG2 3.45Å; L98-T161 HydrophobicContact CB-CG2 4.03Å; L98-T161 HydrophobicContact CD1-CG2 3.99Å
99S88.1Confident86.4Confident85 Ų8548.1 Ų48.159%0.59427%0.272SS*.Hα-helixtrans-56.5-43.8176.456.40000112.7Q97 A103Q97-S99 PolarHBondContact O-N 3.2Å; S99-A103 WeakPolarHBondContact O-CB 3.48Å; S99-A103 PolarHBondContact O-N 2.84Å
100M87.7Confident86.6Confident39 Ų3944 Ų4419%0.19225%0.248CC..Hα-helixtrans-67.4-46.4-178.9-176.658.2-172.400111.3I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-SD 4.38Å; I24-M100 HydrophobicContact CG2-CE 4.31Å; F78-M100 HydrophobicContact CE1-CE 3.82Å; F78-M100 HydrophobicContact CZ-CE 3.82Å; P94-M100 WeakPolarHBondContact O-CB 3.27Å; Q97-M100 PolarHBondContact O-N 2.88Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; L98-M100 VanDerWaalsContact C-N 3.33Å; L98-M100 PolarHBondContact O-N 3.39Å; M100-L102 VanDerWaalsContact C-N 3.33Å; M100-L102 PolarHBondContact O-N 2.94Å; M100-A103 PolarHBondContact O-N 3.47Å; M100-M104 HydrophobicContact CE-CE 4.13Å; M100-M104 HydrophobicContact CE-CG 4.33Å; M100-M104 HydrophobicContact CE-SD 3.99Å; M100-M104 HydrophobicContact CG-CE 3.97Å; M100-M104 PolarHBondContact O-N 3.41Å; M100-M104 VanDerWaalsContact O-N 3.09Å
101N88.4Confident86.7Confident0 Ų035.4 Ų35.40%021%0.214CC..Hα-helixtrans-67.7-37.3-178.8-65.3-8.7000111.8T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 3.12Å; Q97-N101 PolarHBondContact O-N 3.36Å; L98-N101 PolarHBondContact O-N 3.14Å; N101-M104 PolarHBondContact O-N 3.47Å; N101-A105 VanDerWaalsContact O-CB 3.31Å; N101-A105 WeakPolarHBondContact O-CB 3.12Å; N101-A105 PolarHBondContact O-N 2.94Å; N101-A157 HydrophobicContact CB-CB 3.93Å; N101-A157 PolarHBondContact ND2-O 3.43Å; N101-L160 HydrophobicContact CB-CD2 4.25Å; N101-L160 WeakPolarHBondContact ND2-CB 3.37Å; N101-L160 VanDerWaalsContact ND2-CD2 3.34Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.49Å; N101-L160 VanDerWaalsContact ND2-CG 3.34Å; N101-L160 WeakPolarHBondContact ND2-CG 3.18Å; N101-L160 VanDerWaalsContact OD1-CD2 3.27Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.31Å; N101-T161 HydrophobicContact CB-CG2 4.3Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.42Å; N101-T161 PolarHBondContact ND2-N 3.31Å
102L86.7Confident86.7Confident43 Ų4333.8 Ų33.823%0.22520%0.202CC..Hα-helixtrans-70.3-38.5177.4-158.968.4000111.7L98 M100 M104 A105 I106 M154 A157L98-L102 WeakPolarHBondContact O-CB 3.42Å; L98-L102 PolarHBondContact O-N 3.29Å; M100-L102 VanDerWaalsContact C-N 3.33Å; M100-L102 PolarHBondContact O-N 2.94Å; L102-M104 PolarHBondContact O-N 3.22Å; L102-A105 PolarHBondContact O-N 3.38Å; L102-I106 HydrophobicContact CD1-CD1 3.93Å; L102-I106 HydrophobicContact CD1-CG1 4.03Å; L102-I106 HydrophobicContact CD2-CD1 3.97Å; L102-I106 HydrophobicContact CG-CD1 3.53Å; L102-I106 HydrophobicContact CG-CG1 4Å; L102-I106 WeakPolarHBondContact O-CG1 3.47Å; L102-I106 PolarHBondContact O-N 3.15Å; L102-M154 HydrophobicContact CD1-CE 4.48Å; L102-M154 HydrophobicContact CD1-SD 3.34Å; L102-M154 WeakPolarHBondContact CD1-SD 3.36Å; L102-M154 HydrophobicContact CD2-SD 4.14Å; L102-M154 HydrophobicContact CG-SD 4.39Å; L102-A157 HydrophobicContact CB-CB 4.44Å; L102-A157 HydrophobicContact CD1-CB 3.9Å
103A89.3Confident86.7Confident65 Ų6533.1 Ų33.154%0.53720%0.201SC..Hα-helixtrans-62.6-29173.100000112.8S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.48Å; S99-A103 PolarHBondContact O-N 2.84Å; M100-A103 PolarHBondContact O-N 3.47Å; A103-P107 WeakPolarHBondContact O-CD 3.37Å; A103-P107 WeakPolarHBondContact O-CG 3.43Å
104M85.8Confident86.7Confident25 Ų2537.6 Ų37.612%0.12322%0.223CC..Hα-helixtrans-80.3-45.5171.6-69.3-175.4-74.700112.4F78 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.92Å; F78-M104 HydrophobicContact CE1-CE 4.47Å; F78-M104 HydrophobicContact CE1-SD 3.6Å; F78-M104 VanDerWaalsContact CE1-SD 3.6Å; M100-M104 HydrophobicContact CE-CE 4.13Å; M100-M104 HydrophobicContact CE-CG 4.33Å; M100-M104 HydrophobicContact CE-SD 3.99Å; M100-M104 HydrophobicContact CG-CE 3.97Å; M100-M104 PolarHBondContact O-N 3.41Å; M100-M104 VanDerWaalsContact O-N 3.09Å; N101-M104 PolarHBondContact O-N 3.47Å; L102-M104 PolarHBondContact O-N 3.22Å; M104-L108 VanDerWaalsContact O-CD1 3.23Å; M104-L108 WeakPolarHBondContact O-CD1 3.29Å; M104-L108 WeakPolarHBondContact O-CG 3.46Å
105A86.9Confident86.7Confident2 Ų239.4 Ų39.42%0.01723%0.232CC..Hα-helixtrans-70.5-45.2-171.700000113.4N101 L102 L108 W109 L156 A157 F214N101-A105 VanDerWaalsContact O-CB 3.31Å; N101-A105 WeakPolarHBondContact O-CB 3.12Å; N101-A105 PolarHBondContact O-N 2.94Å; L102-A105 PolarHBondContact O-N 3.38Å; A105-L108 PolarHBondContact O-N 2.96Å; A105-W109 VanDerWaalsContact O-CB 3.3Å; A105-W109 WeakPolarHBondContact O-CB 3.38Å; A105-W109 PolarHBondContact O-N 2.97Å; A105-L156 HydrophobicContact CB-CD2 4.35Å; A105-A157 HydrophobicContact CB-CB 4.22Å; A105-F214 HydrophobicContact CB-CE2 4.31Å; A105-F214 HydrophobicContact CB-CZ 4.12Å
106I88.4Confident86.3Confident81 Ų8139.4 Ų39.442%0.41523%0.232SC..Hα-helixtrans-62.6-49.8-174.8-66.1177000111.8L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 3.93Å; L102-I106 HydrophobicContact CD1-CG1 4.03Å; L102-I106 HydrophobicContact CD2-CD1 3.97Å; L102-I106 HydrophobicContact CG-CD1 3.53Å; L102-I106 HydrophobicContact CG-CG1 4Å; L102-I106 WeakPolarHBondContact O-CG1 3.47Å; L102-I106 PolarHBondContact O-N 3.15Å; I106-L108 PolarHBondContact O-N 3.43Å; I106-W109 PolarHBondContact O-N 3.5Å; I106-A110 WeakPolarHBondContact O-CB 3.31Å; I106-A110 PolarHBondContact O-N 2.95Å
107P89.4Confident86Confident81 Ų8142.7 Ų42.753%0.52625%0.245SC..Hα-helixtrans-65.2-38-178.6-24.436.9000113.4A103 G111A103-P107 WeakPolarHBondContact O-CD 3.37Å; A103-P107 WeakPolarHBondContact O-CG 3.43Å; P107-G111 PolarHBondContact O-N 2.94Å
108L88.2Confident85.5Confident18 Ų1849.8 Ų49.89%0.09427%0.27CS..Hα-helixtrans-65.3-46.4178.1-72.9167.2000111.5M71 L75 M104 A105 I106 G111 A112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.59Å; M71-L108 HydrophobicContact CG-CD2 4.03Å; M71-L108 HydrophobicContact SD-CD2 3.54Å; M71-L108 VanDerWaalsContact SD-CD2 3.54Å; L75-L108 HydrophobicContact CD1-CD1 3.43Å; L75-L108 VanDerWaalsContact CD1-CD1 3.43Å; L75-L108 HydrophobicContact CD2-CD1 3.79Å; L75-L108 HydrophobicContact CG-CD1 4.26Å; M104-L108 VanDerWaalsContact O-CD1 3.23Å; M104-L108 WeakPolarHBondContact O-CD1 3.29Å; M104-L108 WeakPolarHBondContact O-CG 3.46Å; A105-L108 PolarHBondContact O-N 2.96Å; I106-L108 PolarHBondContact O-N 3.43Å; L108-G111 PolarHBondContact O-N 3.06Å; L108-A112 PolarHBondContact O-N 2.69Å; L108-A112 VanDerWaalsContact O-N 3.08Å; L108-F214 HydrophobicContact CD1-CE1 4.19Å; L108-V218 HydrophobicContact CB-CG1 4.32Å
109W86.7Confident84.7Confident35 Ų3548.9 Ų48.913%0.13327%0.269CS..Hα-helixtrans-64.1-48.2176.2172.589.5000111.3A105 I106 G111 A112 V113 L149 L150 P153A105-W109 VanDerWaalsContact O-CB 3.3Å; A105-W109 WeakPolarHBondContact O-CB 3.38Å; A105-W109 PolarHBondContact O-N 2.97Å; I106-W109 PolarHBondContact O-N 3.5Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.19Å; W109-A112 PolarHBondContact O-N 2.83Å; W109-A112 VanDerWaalsContact O-N 3.13Å; W109-V113 HydrophobicContact CD2-CG2 4.06Å; W109-V113 HydrophobicContact CG-CG2 4.5Å; W109-V113 HydrophobicContact CH2-CG2 4.37Å; W109-V113 HydrophobicContact CZ2-CG2 3.89Å; W109-V113 WeakPolarHBondContact O-CG2 3.24Å; W109-V113 PolarHBondContact O-N 3.47Å; W109-L149 HydrophobicContact CH2-CD2 4.08Å; W109-L149 HydrophobicContact CZ2-CD2 3.44Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.44Å; W109-L149 HydrophobicContact CZ2-CG 3.89Å; W109-L149 VanDerWaalsContact CZ2-O 3.24Å; W109-L149 WeakPolarHBondContact CZ2-O 3.08Å; W109-L149 PolarHBondContact NE1-O 3.17Å; W109-L150 HydrophobicContact CH2-CD2 3.76Å; W109-L150 HydrophobicContact CZ2-CD2 4.34Å; W109-P153 HydrophobicContact CB-CB 3.89Å; W109-P153 HydrophobicContact CB-CG 4.39Å; W109-P153 HydrophobicContact CD2-CB 4.25Å; W109-P153 HydrophobicContact CD2-CG 3.77Å; W109-P153 HydrophobicContact CE3-CG 4.25Å; W109-P153 HydrophobicContact CG-CB 3.82Å; W109-P153 HydrophobicContact CG-CG 3.81Å
110A85.9Confident84Confident27 Ų2749.1 Ų49.122%0.22326%0.259CS..Hα-helixtrans-60.3-40.917900000111I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.31Å; I106-A110 PolarHBondContact O-N 2.95Å; A110-V113 PolarHBondContact O-N 3.13Å; A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.4Å; A110-I114 WeakPolarHBondContact O-CD1 3.44Å; A110-I114 WeakPolarHBondContact O-CG1 3.46Å; A110-I114 PolarHBondContact O-N 3.43Å
111G86Confident83Confident23 Ų2352.5 Ų52.524%0.23728%0.277CS..Hα-helixtrans-60.1-44.5174.800000113P107 L108 W109 M115P107-G111 PolarHBondContact O-N 2.94Å; L108-G111 PolarHBondContact O-N 3.06Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.19Å; G111-M115 VanDerWaalsContact O-CB 3.31Å; G111-M115 WeakPolarHBondContact O-CB 3.48Å; G111-M115 PolarHBondContact O-N 2.85Å
112A84.3Confident82Confident1 Ų161.7 Ų61.71%0.00832%0.317CS..Hα-helixtrans-63.6-45.6177.200000111.9L108 W109 M115 G116 L222L108-A112 PolarHBondContact O-N 2.69Å; L108-A112 VanDerWaalsContact O-N 3.08Å; W109-A112 PolarHBondContact O-N 2.83Å; W109-A112 VanDerWaalsContact O-N 3.13Å; A112-M115 PolarHBondContact O-N 3.24Å; A112-G116 PolarHBondContact O-N 2.9Å; A112-L222 HydrophobicContact CB-CD1 4.47Å
113V83.6Confident81.2Confident14 Ų1464.5 Ų64.59%0.08533%0.332CS..Hα-helixtrans-64.1-47.2178.6172.40000111.4W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.06Å; W109-V113 HydrophobicContact CG-CG2 4.5Å; W109-V113 HydrophobicContact CH2-CG2 4.37Å; W109-V113 HydrophobicContact CZ2-CG2 3.89Å; W109-V113 WeakPolarHBondContact O-CG2 3.24Å; W109-V113 PolarHBondContact O-N 3.47Å; A110-V113 PolarHBondContact O-N 3.13Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.2Å; V113-G116 PolarHBondContact O-N 3.3Å; V113-G116 VanDerWaalsContact O-N 3.13Å; V113-F117 HydrophobicContact CG1-CD2 3.65Å; V113-F117 HydrophobicContact CG1-CE2 3.37Å; V113-F117 WeakPolarHBondContact O-CD2 3.39Å; V113-F117 PolarHBondContact O-N 3.28Å
114I84.8Confident80.1Confident96 Ų9662.2 Ų62.249%0.49231%0.313SS..Hα-helixtrans-61.4-39.2177.5-68.4163.7000110.6A110 G116 F117 R118A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.4Å; A110-I114 WeakPolarHBondContact O-CD1 3.44Å; A110-I114 WeakPolarHBondContact O-CG1 3.46Å; A110-I114 PolarHBondContact O-N 3.43Å; I114-G116 VanDerWaalsContact C-N 3.34Å; I114-F117 PolarHBondContact O-N 3.08Å; I114-R118 HydrophobicContact CG2-CG 4.42Å; I114-R118 WeakPolarHBondContact O-CB 2.98Å; I114-R118 VanDerWaalsContact O-CG 3.3Å; I114-R118 WeakPolarHBondContact O-CG 3.31Å; I114-R118 PolarHBondContact O-N 3.03Å
115M82.3Confident79.2Confident47 Ų4765.5 Ų65.523%0.23233%0.331CS..Hα-helixtrans-65.2-38176-173169.9179.700112.2W68 G111 A112 V113 R118 S119 L222 T226W68-M115 HydrophobicContact CZ2-SD 3.97Å; W68-M115 PolarHBondContact NE1-SD 3.37Å; G111-M115 VanDerWaalsContact O-CB 3.31Å; G111-M115 WeakPolarHBondContact O-CB 3.48Å; G111-M115 PolarHBondContact O-N 2.85Å; A112-M115 PolarHBondContact O-N 3.24Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.2Å; M115-R118 PolarHBondContact O-N 2.69Å; M115-S119 WeakPolarHBondContact O-CB 3.26Å; M115-S119 PolarHBondContact O-N 3.17Å; M115-S119 PolarHBondContact O-OG 3.33Å; M115-S119 VanDerWaalsContact O-OG 3.07Å; M115-L222 HydrophobicContact SD-CD1 4.21Å; M115-T226 HydrophobicContact CE-CG2 4.41Å
116G77.7Confident78.1Confident1 Ų168.1 Ų68.11%0.0135%0.352CS..Hα-helixtrans-61.9-50.3173.300000112.8A112 V113 I114 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 2.9Å; V113-G116 PolarHBondContact O-N 3.3Å; V113-G116 VanDerWaalsContact O-N 3.13Å; I114-G116 VanDerWaalsContact C-N 3.34Å; G116-R118 VanDerWaalsContact C-N 3.3Å; G116-R118 PolarHBondContact O-N 3.17Å; G116-S119 PolarHBondContact O-N 3.1Å; G116-S119 PolarHBondContact O-OG 2.94Å; G116-K120 PolarHBondContact O-N 3.03Å; G116-N225 WeakPolarHBondContact CA-O 3.2Å
117F79.1Confident77.1Confident78 Ų7869.5 Ų69.534%0.34236%0.357SS..Hα-helixtrans-59.8-39.9175.4-76.7-63.6000112.3V113 I114 I121 A124 L125 F128V113-F117 HydrophobicContact CG1-CD2 3.65Å; V113-F117 HydrophobicContact CG1-CE2 3.37Å; V113-F117 WeakPolarHBondContact O-CD2 3.39Å; V113-F117 PolarHBondContact O-N 3.28Å; I114-F117 PolarHBondContact O-N 3.08Å; F117-I121 WeakPolarHBondContact O-CG1 3.22Å; F117-A124 HydrophobicContact CD1-CB 4.17Å; F117-A124 HydrophobicContact CE1-CB 4.25Å; F117-L125 HydrophobicContact CD1-CD1 4.2Å; F117-L125 HydrophobicContact CE1-CD1 3.86Å; F117-F128 HydrophobicContact CZ-CE2 4.38Å
118R78.4Confident76Confident217 Ų21767.4 Ų67.482%0.81934%0.34SS*.Hα-helixtrans-70.2-34.4178.7-73.8-178.870.1-167.12113.6I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.42Å; I114-R118 WeakPolarHBondContact O-CB 2.98Å; I114-R118 VanDerWaalsContact O-CG 3.3Å; I114-R118 WeakPolarHBondContact O-CG 3.31Å; I114-R118 PolarHBondContact O-N 3.03Å; M115-R118 PolarHBondContact O-N 2.69Å; G116-R118 VanDerWaalsContact C-N 3.3Å; G116-R118 PolarHBondContact O-N 3.17Å
119S71.3Confident74.9Confident48 Ų4869.5 Ų69.534%0.33635%0.35SS..Hα-helixtrans-89.2-39.6-17370.30000113.5M115 G116M115-S119 WeakPolarHBondContact O-CB 3.26Å; M115-S119 PolarHBondContact O-N 3.17Å; M115-S119 PolarHBondContact O-OG 3.33Å; M115-S119 VanDerWaalsContact O-OG 3.07Å; G116-S119 PolarHBondContact O-N 3.1Å; G116-S119 PolarHBondContact O-OG 2.94Å
120K72.6Confident73.8Confident91 Ų9171 Ų7140%0.39636%0.364SS..  trans-146.372.2-176.1-67.7175.5-178.7161.40111.5G116 K122 N123 A124 T226G116-K120 PolarHBondContact O-N 3.03Å; K120-K122 VanDerWaalsContact C-N 3.29Å; K120-K122 PolarHBondContact O-N 2.94Å; K120-N123 HydrophobicContact CB-CB 3.94Å; K120-N123 HydrophobicContact CD-CB 4.32Å; K120-N123 PolarHBondContact O-N 3.35Å; K120-N123 VanDerWaalsContact O-N 3.13Å; K120-A124 WeakPolarHBondContact O-CB 3.34Å; K120-A124 PolarHBondContact O-N 3.48Å; K120-T226 WeakPolarHBondContact CE-O 3.37Å; K120-T226 PolarHBondContact NZ-O 3.49Å; K120-T226 PolarHBondContact NZ-OXT 2.92Å
121I68.1Low72.9Confident109 Ų10979.2 Ų79.256%0.55940%0.398SS*.Hα-helixtrans-48-49.7178-60.1170.9000111.8F117 N123 A124 L125F117-I121 WeakPolarHBondContact O-CG1 3.22Å; I121-N123 PolarHBondContact O-N 3.33Å; I121-A124 PolarHBondContact O-N 3.24Å; I121-L125 HydrophobicContact CG2-CD1 3.75Å; I121-L125 WeakPolarHBondContact O-CD1 3.42Å; I121-L125 PolarHBondContact O-N 2.75Å
122K67.1Low71.8Confident193 Ų19382 Ų8284%0.83943%0.427SS*.Hα-helixtrans-65.6-37.5-176-64.9-175.7-179.2-177.40113.4K120 A126K120-K122 VanDerWaalsContact C-N 3.29Å; K120-K122 PolarHBondContact O-N 2.94Å; K122-A126 VanDerWaalsContact O-CB 3.28Å; K122-A126 WeakPolarHBondContact O-CB 3.1Å; K122-A126 PolarHBondContact O-N 3.39Å
123N70Confident71.3Confident102 Ų10283.6 Ų83.655%0.54544%0.437SS..Hα-helixtrans-78.2-36.5-178-146.461.1000111.2K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.94Å; K120-N123 HydrophobicContact CD-CB 4.32Å; K120-N123 PolarHBondContact O-N 3.35Å; K120-N123 VanDerWaalsContact O-N 3.13Å; I121-N123 PolarHBondContact O-N 3.33Å; N123-A126 PolarHBondContact O-N 3.34Å; N123-H127 PolarHBondContact O-N 3.4Å; N123-H127 VanDerWaalsContact O-N 3.11Å
124A65.9Low70.9Confident18 Ų1886.6 Ų86.615%0.14946%0.456CS..Hα-helixtrans-63.1-43.1173.500000111.7F117 K120 I121 H127F117-A124 HydrophobicContact CD1-CB 4.17Å; F117-A124 HydrophobicContact CE1-CB 4.25Å; K120-A124 WeakPolarHBondContact O-CB 3.34Å; K120-A124 PolarHBondContact O-N 3.48Å; I121-A124 PolarHBondContact O-N 3.24Å; A124-H127 PolarHBondContact O-N 2.98Å
125L66.2Low70.5Confident94 Ų9487.7 Ų87.749%0.49247%0.468SS..Hα-helixtrans-70.3-31.8174.6-85.886.4000112.9F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.2Å; F117-L125 HydrophobicContact CE1-CD1 3.86Å; I121-L125 HydrophobicContact CG2-CD1 3.75Å; I121-L125 WeakPolarHBondContact O-CD1 3.42Å; I121-L125 PolarHBondContact O-N 2.75Å; L125-H127 VanDerWaalsContact C-N 3.28Å; L125-H127 PolarHBondContact O-N 3Å; L125-F128 PolarHBondContact O-N 2.91Å
126A64.1Low70.5Confident56 Ų5690.4 Ų90.446%0.46349%0.489SS..Hα-helixtrans-67.7-27.4176.500000112.6K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.28Å; K122-A126 WeakPolarHBondContact O-CB 3.1Å; K122-A126 PolarHBondContact O-N 3.39Å; N123-A126 PolarHBondContact O-N 3.34Å; A126-F128 PolarHBondContact O-N 3Å; A126-L129 PolarHBondContact O-N 3.44Å
127H67.5Low70.7Confident110 Ų11095.4 Ų95.451%0.50952%0.515SS..THydrogen-bonded Turntrans-64.7-22.5175.3-165.1-68.7000112.8N123 A124 L125 L129N123-H127 PolarHBondContact O-N 3.4Å; N123-H127 VanDerWaalsContact O-N 3.11Å; A124-H127 PolarHBondContact O-N 2.98Å; L125-H127 VanDerWaalsContact C-N 3.28Å; L125-H127 PolarHBondContact O-N 3Å; H127-L129 PolarHBondContact O-N 3.3Å
128F65.9Low70.7Confident38 Ų3894.2 Ų94.217%0.16751%0.512CS..THydrogen-bonded Turntrans-68.3-11.6173.9-68-55.8000113.6F117 L125 A126 E145 T146 L149F117-F128 HydrophobicContact CZ-CE2 4.38Å; L125-F128 PolarHBondContact O-N 2.91Å; A126-F128 PolarHBondContact O-N 3Å; F128-E145 HydrophobicContact CD1-CB 4.34Å; F128-E145 HydrophobicContact CD1-CG 3.93Å; F128-T146 HydrophobicContact CD1-CG2 4.16Å; F128-T146 HydrophobicContact CE1-CG2 3.99Å; F128-T146 HydrophobicContact CZ-CG2 4.48Å; F128-L149 HydrophobicContact CE1-CD1 4.35Å
129L66.4Low70.8Confident61 Ų6187.9 Ų87.932%0.31950%0.499SS..SBendtrans-129.6110.3-179.6-149.876.7000111.8A126 H127 I138 V142A126-L129 PolarHBondContact O-N 3.44Å; H127-L129 PolarHBondContact O-N 3.3Å; L129-I138 HydrophobicContact CD1-CB 4.33Å; L129-I138 HydrophobicContact CD1-CG1 4.3Å; L129-I138 HydrophobicContact CD1-CG2 3.73Å; L129-I138 HydrophobicContact CD2-CD1 4.31Å; L129-I138 HydrophobicContact CD2-CG1 4.39Å; L129-I138 HydrophobicContact CD2-CG2 4.34Å; L129-V142 HydrophobicContact CD1-CG2 3.74Å
130P63.3Low71.4Confident66 Ų6691 Ų9143%0.42951%0.51SS..  trans-63.8140.1172.120.8-22.5000109.9G132 T133 L141P130-G132 PolarHBondContact O-N 3.08Å; P130-T133 HydrophobicContact CB-CG2 4.47Å; P130-T133 HydrophobicContact CG-CG2 3.72Å; P130-T133 WeakPolarHBondContact O-CG2 3.35Å; P130-L141 HydrophobicContact CG-CD1 3.81Å; P130-L141 HydrophobicContact CG-CD2 3.89Å
131Q65.4Low72Confident201 Ų20189 Ų8994%0.93950%0.503SS*.THydrogen-bonded Turntrans-65.6130.4-177.8-62.3-169.2-0.100110.4
132G64.6Low72.7Confident82 Ų8286.2 Ų86.285%0.84549%0.49SS*.THydrogen-bonded Turntrans97.112.6175.400000116.3P130P130-G132 PolarHBondContact O-N 3.08Å
133T72.8Confident73.6Confident33 Ų3381.3 Ų81.320%0.20247%0.473CS..  trans-73.5135.4176.355.30000112.4P130 L141P130-T133 HydrophobicContact CB-CG2 4.47Å; P130-T133 HydrophobicContact CG-CG2 3.72Å; P130-T133 WeakPolarHBondContact O-CG2 3.35Å; T133-L141 HydrophobicContact CG2-CD1 3.82Å
134P75Confident74.4Confident77 Ų7780.9 Ų80.950%0.547%0.469SS..  trans-66.1141.8176.630.1-36.5000111.1P136 L137P134-P136 WeakPolarHBondContact O-CD 3.37Å; P134-P136 VanDerWaalsContact O-N 3.14Å; P134-L137 HydrophobicContact CG-CB 4.43Å; P134-L137 HydrophobicContact CG-CD1 3.81Å; P134-L137 HydrophobicContact CG-CG 4.37Å; P134-L137 PolarHBondContact O-N 3.46Å; P134-L137 VanDerWaalsContact O-N 3.09Å
135T76.6Confident75.2Confident120 Ų12082.7 Ų82.774%0.73648%0.475SS*.THydrogen-bonded Turntrans-51.4-34.6-170.349.70000117.1I138T135-I138 HydrophobicContact CG2-CD1 4.46Å
136P83.1Confident76Confident104 Ų10480.8 Ų80.868%0.67547%0.467SS*.THydrogen-bonded Turntrans-77-21.1-18029.1-35000114.2P134P134-P136 WeakPolarHBondContact O-CD 3.37Å; P134-P136 VanDerWaalsContact O-N 3.14Å
137L80.9Confident77Confident106 Ų10682.1 Ų82.156%0.55547%0.466SS*.THydrogen-bonded Turntrans-88-10.3-178.1-70.5173.6000113.3P134 M140 L141P134-L137 HydrophobicContact CG-CB 4.43Å; P134-L137 HydrophobicContact CG-CD1 3.81Å; P134-L137 HydrophobicContact CG-CG 4.37Å; P134-L137 PolarHBondContact O-N 3.46Å; P134-L137 VanDerWaalsContact O-N 3.09Å; L137-M140 PolarHBondContact O-N 2.99Å; L137-L141 PolarHBondContact O-N 3.42Å; L137-L141 VanDerWaalsContact O-N 3.13Å
138I79.9Confident77.8Confident52 Ų5279.4 Ų79.427%0.26746%0.459SS..Hα-helixtrans-54.5-49.9-177-68176.9000112.6L129 T135 M140 L141 V142L129-I138 HydrophobicContact CD1-CB 4.33Å; L129-I138 HydrophobicContact CD1-CG1 4.3Å; L129-I138 HydrophobicContact CD1-CG2 3.73Å; L129-I138 HydrophobicContact CD2-CD1 4.31Å; L129-I138 HydrophobicContact CD2-CG1 4.39Å; L129-I138 HydrophobicContact CD2-CG2 4.34Å; T135-I138 HydrophobicContact CG2-CD1 4.46Å; I138-M140 VanDerWaalsContact C-N 3.34Å; I138-M140 PolarHBondContact O-N 3.46Å; I138-L141 PolarHBondContact O-N 2.96Å; I138-V142 WeakPolarHBondContact O-CG2 3.13Å; I138-V142 PolarHBondContact O-N 2.92Å; I138-V142 VanDerWaalsContact O-N 3.15Å
139P80.3Confident78.6Confident85 Ų8579.7 Ų79.755%0.55246%0.462SS*.Hα-helixtrans-65-37.3-175.1-2133.8000113I143P139-I143 WeakPolarHBondContact O-CG1 3.31Å; P139-I143 PolarHBondContact O-N 3.15Å
140M84Confident79.4Confident114 Ų11482 Ų8256%0.56247%0.474SS*.Hα-helixtrans-69.5-41.2179.2-174.263.8-172.200111.5L137 I138 I143 I144L137-M140 PolarHBondContact O-N 2.99Å; I138-M140 VanDerWaalsContact C-N 3.34Å; I138-M140 PolarHBondContact O-N 3.46Å; M140-I143 PolarHBondContact O-N 2.67Å; M140-I144 HydrophobicContact CE-CD1 3.96Å; M140-I144 HydrophobicContact CE-CG1 4.17Å; M140-I144 HydrophobicContact CG-CD1 4.13Å; M140-I144 WeakPolarHBondContact O-CG1 3.24Å; M140-I144 PolarHBondContact O-N 2.92Å; M140-I144 VanDerWaalsContact O-N 3.14Å
141L85.5Confident80.5Confident48 Ų4883.5 Ų83.525%0.25148%0.478SS..Hα-helixtrans-66.3-41.8-178.4-167.5152.2000111.8P130 T133 L137 I138 I143 I144 E145P130-L141 HydrophobicContact CG-CD1 3.81Å; P130-L141 HydrophobicContact CG-CD2 3.89Å; T133-L141 HydrophobicContact CG2-CD1 3.82Å; L137-L141 PolarHBondContact O-N 3.42Å; L137-L141 VanDerWaalsContact O-N 3.13Å; I138-L141 PolarHBondContact O-N 2.96Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 2.89Å; L141-I144 PolarHBondContact O-N 3.46Å; L141-I144 VanDerWaalsContact O-N 3.17Å; L141-E145 PolarHBondContact O-N 3.24Å
142V82.2Confident81.4Confident50 Ų5077.1 Ų77.130%0.30345%0.448SS..Hα-helixtrans-59-42.2176.6173.50000110.9L129 I138 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.74Å; I138-V142 WeakPolarHBondContact O-CG2 3.13Å; I138-V142 PolarHBondContact O-N 2.92Å; I138-V142 VanDerWaalsContact O-N 3.15Å; V142-E145 PolarHBondContact O-N 3.47Å; V142-T146 HydrophobicContact CG1-CG2 4.41Å; V142-T146 VanDerWaalsContact O-CG2 3.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.42Å; V142-T146 PolarHBondContact O-N 3.45Å; V142-T146 PolarHBondContact O-OG1 3.31Å
143I85.5Confident82.1Confident91 Ų9173.7 Ų73.747%0.46741%0.41SS..Hα-helixtrans-61.2-47.6176.5-66.3167.2000110.6P139 M140 L141 E145 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.31Å; P139-I143 PolarHBondContact O-N 3.15Å; M140-I143 PolarHBondContact O-N 2.67Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 2.89Å; I143-E145 VanDerWaalsContact C-N 3.34Å; I143-E145 PolarHBondContact O-N 3.09Å; I143-T146 PolarHBondContact O-N 3.47Å; I143-T146 PolarHBondContact O-OG1 3.42Å; I143-I147 HydrophobicContact CG2-CD1 3.81Å; I143-I147 WeakPolarHBondContact O-CG1 3.39Å; I143-I147 PolarHBondContact O-N 2.97Å
144I86.3Confident82.7Confident93 Ų9375.9 Ų75.948%0.47742%0.419SS..Hα-helixtrans-61.5-43.3179.8-64.5165.9000111.1M140 L141 I147 S148M140-I144 HydrophobicContact CE-CD1 3.96Å; M140-I144 HydrophobicContact CE-CG1 4.17Å; M140-I144 HydrophobicContact CG-CD1 4.13Å; M140-I144 WeakPolarHBondContact O-CG1 3.24Å; M140-I144 PolarHBondContact O-N 2.92Å; M140-I144 VanDerWaalsContact O-N 3.14Å; L141-I144 PolarHBondContact O-N 3.46Å; L141-I144 VanDerWaalsContact O-N 3.17Å; I144-I147 PolarHBondContact O-N 2.97Å; I144-S148 WeakPolarHBondContact O-CB 3.46Å; I144-S148 PolarHBondContact O-N 3.2Å
145E84.5Confident83.2Confident56 Ų5674.1 Ų74.126%0.26241%0.412SS..Hα-helixtrans-66.4-40.1-179.7-167.261.4-160.700111.7F128 L141 V142 I143 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.34Å; F128-E145 HydrophobicContact CD1-CG 3.93Å; L141-E145 PolarHBondContact O-N 3.24Å; V142-E145 PolarHBondContact O-N 3.47Å; I143-E145 VanDerWaalsContact C-N 3.34Å; I143-E145 PolarHBondContact O-N 3.09Å; E145-I147 VanDerWaalsContact C-N 3.31Å; E145-I147 PolarHBondContact O-N 2.86Å; E145-S148 WeakPolarHBondContact O-CB 3.5Å; E145-S148 PolarHBondContact O-N 3.39Å; E145-L149 WeakPolarHBondContact O-CB 3.29Å; E145-L149 PolarHBondContact O-N 2.86Å
146T81.9Confident83.4Confident54 Ų5468.7 Ų68.733%0.33138%0.378SS..Hα-helixtrans-62.4-38.2174.1600000112.4F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.16Å; F128-T146 HydrophobicContact CE1-CG2 3.99Å; F128-T146 HydrophobicContact CZ-CG2 4.48Å; V142-T146 HydrophobicContact CG1-CG2 4.41Å; V142-T146 VanDerWaalsContact O-CG2 3.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.42Å; V142-T146 PolarHBondContact O-N 3.45Å; V142-T146 PolarHBondContact O-OG1 3.31Å; I143-T146 PolarHBondContact O-N 3.47Å; I143-T146 PolarHBondContact O-OG1 3.42Å; T146-L150 WeakPolarHBondContact O-CG 3.36Å; T146-L150 PolarHBondContact O-N 3.18Å
147I85.8Confident83.4Confident84 Ų8463.8 Ų63.843%0.43135%0.346SS..Hα-helixtrans-68.8-43.3175.5-67.2167.4000110.6I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.81Å; I143-I147 WeakPolarHBondContact O-CG1 3.39Å; I143-I147 PolarHBondContact O-N 2.97Å; I144-I147 PolarHBondContact O-N 2.97Å; E145-I147 VanDerWaalsContact C-N 3.31Å; E145-I147 PolarHBondContact O-N 2.86Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 3.32Å; I147-L150 PolarHBondContact O-N 3Å; I147-L150 VanDerWaalsContact O-N 3.15Å; I147-I151 HydrophobicContact CG2-CD1 3.49Å; I147-I151 VanDerWaalsContact CG2-CD1 3.49Å; I147-I151 HydrophobicContact CG2-CG1 4.14Å; I147-I151 WeakPolarHBondContact O-CG1 3.17Å; I147-I151 PolarHBondContact O-N 2.98Å
148S84.6Confident83.7Confident53 Ų5361.7 Ų61.737%0.37134%0.337SS..Hα-helixtrans-57-46.3177.6-176.40000111.7I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.46Å; I144-S148 PolarHBondContact O-N 3.2Å; E145-S148 WeakPolarHBondContact O-CB 3.5Å; E145-S148 PolarHBondContact O-N 3.39Å; S148-L150 VanDerWaalsContact C-N 3.3Å; S148-L150 PolarHBondContact O-N 3.48Å; S148-I151 PolarHBondContact O-N 3.42Å; S148-Q152 PolarHBondContact O-N 3.32Å; S148-Q152 VanDerWaalsContact O-N 3.14Å
149L82.9Confident84.1Confident43 Ų4363.8 Ų63.823%0.22534%0.342CS..Hα-helixtrans-60.9-36.3177.6-174.6124.7000112.3W109 F128 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.08Å; W109-L149 HydrophobicContact CZ2-CD2 3.44Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.44Å; W109-L149 HydrophobicContact CZ2-CG 3.89Å; W109-L149 VanDerWaalsContact CZ2-O 3.24Å; W109-L149 WeakPolarHBondContact CZ2-O 3.08Å; W109-L149 PolarHBondContact NE1-O 3.17Å; F128-L149 HydrophobicContact CE1-CD1 4.35Å; E145-L149 WeakPolarHBondContact O-CB 3.29Å; E145-L149 PolarHBondContact O-N 2.86Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 3.32Å; L149-P153 WeakPolarHBondContact O-CD 3.25Å
150L83.1Confident84.2Confident110 Ų11059.8 Ų59.858%0.57632%0.316SS*.Hα-helixtrans-77.5-34.6176.8-71.5173.3000113.7W109 T146 I147 S148 Q152 P153W109-L150 HydrophobicContact CH2-CD2 3.76Å; W109-L150 HydrophobicContact CZ2-CD2 4.34Å; T146-L150 WeakPolarHBondContact O-CG 3.36Å; T146-L150 PolarHBondContact O-N 3.18Å; I147-L150 PolarHBondContact O-N 3Å; I147-L150 VanDerWaalsContact O-N 3.15Å; S148-L150 VanDerWaalsContact C-N 3.3Å; S148-L150 PolarHBondContact O-N 3.48Å; L150-Q152 VanDerWaalsContact C-N 3.35Å; L150-P153 WeakPolarHBondContact O-CD 3.35Å; L150-P153 WeakPolarHBondContact O-CG 3.5Å
151I85.6Confident84.3Confident98 Ų9855 Ų5550%0.50329%0.293SS..Hα-helixtrans-72.3-31.1-179.5-69.9173.5000111.2I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.49Å; I147-I151 VanDerWaalsContact CG2-CD1 3.49Å; I147-I151 HydrophobicContact CG2-CG1 4.14Å; I147-I151 WeakPolarHBondContact O-CG1 3.17Å; I147-I151 PolarHBondContact O-N 2.98Å; S148-I151 PolarHBondContact O-N 3.42Å; I151-M154 WeakPolarHBondContact O-CB 3.26Å; I151-M154 PolarHBondContact O-N 3.24Å; I151-M154 VanDerWaalsContact O-N 3.13Å; I151-A155 HydrophobicContact CG2-CB 4.44Å; I151-A155 WeakPolarHBondContact O-CB 3.49Å; I151-A155 PolarHBondContact O-N 3.07Å
152Q83.6Confident84.3Confident67 Ų6754.7 Ų54.731%0.31330%0.297SS..Hα-helixtrans-51.1-53.3-177.5-109.5175.9-13.100116.2S148 L150 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 3.32Å; S148-Q152 VanDerWaalsContact O-N 3.14Å; L150-Q152 VanDerWaalsContact C-N 3.35Å; Q152-M154 VanDerWaalsContact C-N 3.27Å; Q152-M154 PolarHBondContact O-N 2.89Å; Q152-A155 PolarHBondContact O-N 3.25Å; Q152-L156 WeakPolarHBondContact O-CB 3.21Å; Q152-L156 PolarHBondContact O-N 3.33Å; Q152-Y221 HydrophobicContact CG-CE1 4.33Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.46Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.28Å; Q152-Y221 PolarHBondContact NE2-OH 3.47Å; Q152-Y221 PolarHBondContact OE1-OH 3.42Å
153P80.1Confident84.6Confident9 Ų955.2 Ų55.26%0.05830%0.299CS..Hα-helixtrans-64.2-33.9178.524.1-34.7000112.2W109 L149 L150 A157W109-P153 HydrophobicContact CB-CB 3.89Å; W109-P153 HydrophobicContact CB-CG 4.39Å; W109-P153 HydrophobicContact CD2-CB 4.25Å; W109-P153 HydrophobicContact CD2-CG 3.77Å; W109-P153 HydrophobicContact CE3-CG 4.25Å; W109-P153 HydrophobicContact CG-CB 3.82Å; W109-P153 HydrophobicContact CG-CG 3.81Å; L149-P153 WeakPolarHBondContact O-CD 3.25Å; L150-P153 WeakPolarHBondContact O-CD 3.35Å; L150-P153 WeakPolarHBondContact O-CG 3.5Å; P153-A157 PolarHBondContact O-N 3.26Å
154M84.6Confident84.6Confident79 Ų7951.1 Ų51.139%0.38928%0.278SS..Hα-helixtrans-66.5-46.1174.8-169.269-171.600111L98 L102 I151 Q152 L156 A157 V158L98-M154 HydrophobicContact CD2-CE 4.09Å; L102-M154 HydrophobicContact CD1-CE 4.48Å; L102-M154 HydrophobicContact CD1-SD 3.34Å; L102-M154 WeakPolarHBondContact CD1-SD 3.36Å; L102-M154 HydrophobicContact CD2-SD 4.14Å; L102-M154 HydrophobicContact CG-SD 4.39Å; I151-M154 WeakPolarHBondContact O-CB 3.26Å; I151-M154 PolarHBondContact O-N 3.24Å; I151-M154 VanDerWaalsContact O-N 3.13Å; Q152-M154 VanDerWaalsContact C-N 3.27Å; Q152-M154 PolarHBondContact O-N 2.89Å; M154-L156 VanDerWaalsContact C-N 3.29Å; M154-L156 PolarHBondContact O-N 3.3Å; M154-A157 PolarHBondContact O-N 2.82Å; M154-V158 HydrophobicContact CE-CG2 4.1Å; M154-V158 HydrophobicContact CG-CG2 4.46Å; M154-V158 VanDerWaalsContact O-CG2 3.31Å; M154-V158 WeakPolarHBondContact O-CG2 3.33Å; M154-V158 PolarHBondContact O-N 3.03Å
155A85.7Confident84.7Confident41 Ų4148.4 Ų48.434%0.33927%0.266SS..Hα-helixtrans-62.1-37.5178.900000112.1I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.44Å; I151-A155 WeakPolarHBondContact O-CB 3.49Å; I151-A155 PolarHBondContact O-N 3.07Å; Q152-A155 PolarHBondContact O-N 3.25Å; A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.32Å; A155-R159 PolarHBondContact O-N 3.14Å
156L81.1Confident84.9Confident6 Ų648.4 Ų48.43%0.03128%0.275CS..Hα-helixtrans-61.5-48.2174.6-165.588000111.8A105 Q152 M154 R159 L160 F214 L217 V218A105-L156 HydrophobicContact CB-CD2 4.35Å; Q152-L156 WeakPolarHBondContact O-CB 3.21Å; Q152-L156 PolarHBondContact O-N 3.33Å; M154-L156 VanDerWaalsContact C-N 3.29Å; M154-L156 PolarHBondContact O-N 3.3Å; L156-R159 PolarHBondContact O-N 3.12Å; L156-L160 PolarHBondContact O-N 3.31Å; L156-F214 HydrophobicContact CD1-CD2 4.22Å; L156-F214 HydrophobicContact CD2-CD1 4.13Å; L156-F214 HydrophobicContact CD2-CD2 3.31Å; L156-F214 HydrophobicContact CD2-CE1 3.98Å; L156-F214 HydrophobicContact CD2-CE2 3.13Å; L156-F214 HydrophobicContact CD2-CG 3.83Å; L156-F214 HydrophobicContact CD2-CZ 3.49Å; L156-F214 VanDerWaalsContact CD2-CZ 3.49Å; L156-F214 HydrophobicContact CG-CD2 3.44Å; L156-F214 VanDerWaalsContact CG-CD2 3.44Å; L156-F214 HydrophobicContact CG-CE2 3.63Å; L156-F214 HydrophobicContact CG-CG 4.15Å; L156-F214 HydrophobicContact CG-CZ 4.45Å; L156-L217 HydrophobicContact CD1-CB 3.84Å; L156-L217 HydrophobicContact CD1-CD1 3.37Å; L156-L217 HydrophobicContact CD1-CG 4.24Å; L156-V218 HydrophobicContact CD2-CG2 4.3Å
157A84.3Confident85.2Confident0 Ų046.1 Ų46.10%026%0.262CS..Hα-helixtrans-64.8-45179.900000111.9L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.37Å; N101-A157 HydrophobicContact CB-CB 3.93Å; N101-A157 PolarHBondContact ND2-O 3.43Å; L102-A157 HydrophobicContact CB-CB 4.44Å; L102-A157 HydrophobicContact CD1-CB 3.9Å; A105-A157 HydrophobicContact CB-CB 4.22Å; P153-A157 PolarHBondContact O-N 3.26Å; M154-A157 PolarHBondContact O-N 2.82Å; A157-R159 VanDerWaalsContact C-N 3.33Å; A157-R159 PolarHBondContact O-N 2.8Å; A157-L160 PolarHBondContact O-N 3.06Å; A157-T161 PolarHBondContact O-N 3.12Å; A157-T161 VanDerWaalsContact O-N 3.12Å; A157-T161 PolarHBondContact O-OG1 3.12Å
158V87.3Confident85.3Confident62 Ų6243.7 Ų43.738%0.37625%0.249SC..Hα-helixtrans-63.4-38.7177.6172.90000111.3L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.9Å; M154-V158 HydrophobicContact CE-CG2 4.1Å; M154-V158 HydrophobicContact CG-CG2 4.46Å; M154-V158 VanDerWaalsContact O-CG2 3.31Å; M154-V158 WeakPolarHBondContact O-CG2 3.33Å; M154-V158 PolarHBondContact O-N 3.03Å; V158-L160 VanDerWaalsContact C-N 3.33Å; V158-L160 PolarHBondContact O-N 2.97Å; V158-T161 WeakPolarHBondContact CA-OG1 3.45Å; V158-T161 PolarHBondContact O-N 3.34Å; V158-T161 PolarHBondContact O-OG1 3.37Å; V158-A162 WeakPolarHBondContact O-CB 3.24Å; V158-A162 PolarHBondContact O-N 3.19Å
159R87.6Confident85.5Confident97 Ų9743.1 Ų43.137%0.36624%0.241SC..Hα-helixtrans-60.8-43177.5-168.1-173.1-60.5154.72.5111.8A155 L156 A157 N163 Q210A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.32Å; A155-R159 PolarHBondContact O-N 3.14Å; L156-R159 PolarHBondContact O-N 3.12Å; A157-R159 VanDerWaalsContact C-N 3.33Å; A157-R159 PolarHBondContact O-N 2.8Å; R159-N163 VanDerWaalsContact O-CG 3.29Å; R159-N163 PolarHBondContact O-N 2.93Å; R159-Q210 VanDerWaalsContact C-NE2 3.25Å; R159-Q210 VanDerWaalsContact CG-NE2 3.32Å
160L81.9Confident85.9Confident0 Ų045 Ų450%025%0.251CS..Hα-helixtrans-66.7-44.8179.2-179.871.4000110.7I79 T95 N101 L156 A157 V158 I164 Q210I79-L160 HydrophobicContact CG2-CD1 3.99Å; I79-L160 HydrophobicContact CG2-CD2 4.2Å; T95-L160 HydrophobicContact CG2-CD2 4.39Å; N101-L160 HydrophobicContact CB-CD2 4.25Å; N101-L160 WeakPolarHBondContact ND2-CB 3.37Å; N101-L160 VanDerWaalsContact ND2-CD2 3.34Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.49Å; N101-L160 VanDerWaalsContact ND2-CG 3.34Å; N101-L160 WeakPolarHBondContact ND2-CG 3.18Å; N101-L160 VanDerWaalsContact OD1-CD2 3.27Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.31Å; L156-L160 PolarHBondContact O-N 3.31Å; A157-L160 PolarHBondContact O-N 3.06Å; V158-L160 VanDerWaalsContact C-N 3.33Å; V158-L160 PolarHBondContact O-N 2.97Å; L160-I164 HydrophobicContact CD1-CD1 3.76Å; L160-I164 HydrophobicContact CG-CD1 4.17Å; L160-I164 WeakPolarHBondContact O-CG1 3.4Å; L160-I164 PolarHBondContact O-N 3.35Å; L160-Q210 VanDerWaalsContact CA-NE2 3.25Å; L160-Q210 HydrophobicContact CB-CG 4.27Å; L160-Q210 HydrophobicContact CD1-CB 4.34Å; L160-Q210 HydrophobicContact CD1-CG 3.38Å; L160-Q210 HydrophobicContact CG-CG 4.41Å
161T85.9Confident86.2Confident13 Ų1341.1 Ų41.18%0.0823%0.231CC..Hα-helixtrans-65.7-46.2177.948.80000112.4T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.47Å; L98-T161 VanDerWaalsContact CA-CG2 3.45Å; L98-T161 HydrophobicContact CB-CG2 4.03Å; L98-T161 HydrophobicContact CD1-CG2 3.99Å; N101-T161 HydrophobicContact CB-CG2 4.3Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.42Å; N101-T161 PolarHBondContact ND2-N 3.31Å; A157-T161 PolarHBondContact O-N 3.12Å; A157-T161 VanDerWaalsContact O-N 3.12Å; A157-T161 PolarHBondContact O-OG1 3.12Å; V158-T161 WeakPolarHBondContact CA-OG1 3.45Å; V158-T161 PolarHBondContact O-N 3.34Å; V158-T161 PolarHBondContact O-OG1 3.37Å; T161-N163 PolarHBondContact O-N 3.48Å; T161-I164 PolarHBondContact O-N 3.47Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 3.26Å; T161-T165 WeakPolarHBondContact O-CG2 3.4Å; T161-T165 PolarHBondContact O-N 2.83Å; T161-T165 PolarHBondContact O-OG1 3.33Å
162A85.7Confident86.4Confident42 Ų4240.1 Ų40.135%0.34722%0.223SC..Hα-helixtrans-63.7-44.2-172.700000111V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.24Å; V158-A162 PolarHBondContact O-N 3.19Å; A162-T165 WeakPolarHBondContact CA-OG1 3Å; A162-T165 PolarHBondContact O-OG1 3.36Å; A162-A166 WeakPolarHBondContact O-CB 3.48Å; A162-A166 PolarHBondContact O-N 2.98Å
163N88.6Confident86.7Confident62 Ų6241.1 Ų41.133%0.33223%0.23SC..Hα-helixtrans-64.3-48.5-179.2-69.3-5.8000111.3R159 T161 G167 V206R159-N163 VanDerWaalsContact O-CG 3.29Å; R159-N163 PolarHBondContact O-N 2.93Å; T161-N163 PolarHBondContact O-N 3.48Å; N163-G167 PolarHBondContact O-N 3.35Å; N163-V206 HydrophobicContact CB-CG1 4.1Å
164I86Confident87.3Confident5 Ų542.3 Ų42.33%0.02624%0.236CC..Hα-helixtrans-70.3-40.2-177.1-59.1172.6000111.4N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.28Å; N83-I164 VanDerWaalsContact CG-CD1 3.42Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.38Å; T93-I164 HydrophobicContact CG2-CG2 4.27Å; T95-I164 VanDerWaalsContact OG1-CD1 3.31Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.3Å; T96-I164 HydrophobicContact CG2-CB 4.37Å; T96-I164 HydrophobicContact CG2-CG2 3.67Å; L160-I164 HydrophobicContact CD1-CD1 3.76Å; L160-I164 HydrophobicContact CG-CD1 4.17Å; L160-I164 WeakPolarHBondContact O-CG1 3.4Å; L160-I164 PolarHBondContact O-N 3.35Å; T161-I164 PolarHBondContact O-N 3.47Å; I164-H168 WeakPolarHBondContact O-CB 3.43Å; I164-H168 PolarHBondContact O-CD2 3.06Å; I164-H168 PolarHBondContact O-N 2.97Å; I164-H168 VanDerWaalsContact O-N 3.09Å
165T88.5Confident87.6Confident36 Ų3639.7 Ų39.722%0.22123%0.229CC..Hα-helixtrans-66.6-46.1177.352.30000111.8F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.42Å; F9-T165 HydrophobicContact CE1-CG2 4.14Å; T96-T165 HydrophobicContact CG2-CG2 3.73Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 3.26Å; T161-T165 WeakPolarHBondContact O-CG2 3.4Å; T161-T165 PolarHBondContact O-N 2.83Å; T161-T165 PolarHBondContact O-OG1 3.33Å; A162-T165 WeakPolarHBondContact CA-OG1 3Å; A162-T165 PolarHBondContact O-OG1 3.36Å; T165-H168 PolarHBondContact O-N 3.01Å; T165-L169 WeakPolarHBondContact O-CB 3.35Å; T165-L169 WeakPolarHBondContact O-CG 3.34Å; T165-L169 PolarHBondContact O-N 3.48Å
166A87.9Confident87.7Confident55 Ų5540.3 Ų40.346%0.45523%0.231SC..Hα-helixtrans-64.2-42.9178.500000111.5A162 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.48Å; A162-A166 PolarHBondContact O-N 2.98Å; A166-L169 PolarHBondContact O-N 2.85Å; A166-L170 VanDerWaalsContact O-CB 3.26Å; A166-L170 WeakPolarHBondContact O-CB 3.41Å; A166-L170 PolarHBondContact O-N 3.07Å
167G88.6Confident88.1Confident6 Ų641.9 Ų41.96%0.06225%0.245CC..Hα-helixtrans-59-48176.400000112.5N163 L170 M171 E203N163-G167 PolarHBondContact O-N 3.35Å; G167-L170 PolarHBondContact O-N 3.46Å; G167-M171 WeakPolarHBondContact O-CB 3.34Å; G167-M171 WeakPolarHBondContact O-CG 3.13Å; G167-M171 PolarHBondContact O-N 3.1Å; G167-E203 WeakPolarHBondContact CA-OE2 3.28Å
168H88.4Confident88.4Confident33 Ų3342.9 Ų42.915%0.15325%0.251CS..Hα-helixtrans-62.8-43.1176.1-91.6-88.6000113.4F9 G86 I164 T165 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.07Å; F9-H168 HydrophobicContact CZ-CB 3.83Å; G86-H168 PolarHBondContact O-CE1 3.42Å; G86-H168 PolarHBondContact O-NE2 2.85Å; I164-H168 WeakPolarHBondContact O-CB 3.43Å; I164-H168 PolarHBondContact O-CD2 3.06Å; I164-H168 PolarHBondContact O-N 2.97Å; I164-H168 VanDerWaalsContact O-N 3.09Å; T165-H168 PolarHBondContact O-N 3.01Å; H168-L170 VanDerWaalsContact C-N 3.34Å; H168-M171 PolarHBondContact O-N 2.74Å; H168-H172 PolarHBondContact O-N 2.98Å
169L88.5Confident88.5Confident42 Ų4246 Ų4622%0.2227%0.265CS..Hα-helixtrans-62-43.6175.6-78.5170.5000111.3L5 F6 F9 T165 A166 H172 L173L5-L169 HydrophobicContact CB-CD2 4.33Å; F6-L169 HydrophobicContact CD1-CD2 4.43Å; F6-L169 HydrophobicContact CE1-CD1 4.07Å; F6-L169 HydrophobicContact CE1-CD2 4.08Å; F6-L169 HydrophobicContact CZ-CD2 4.45Å; F9-L169 HydrophobicContact CE2-CD1 4.42Å; F9-L169 HydrophobicContact CE2-CD2 3.69Å; F9-L169 HydrophobicContact CE2-CG 3.75Å; F9-L169 HydrophobicContact CZ-CD2 4.32Å; F9-L169 HydrophobicContact CZ-CG 3.92Å; T165-L169 WeakPolarHBondContact O-CB 3.35Å; T165-L169 WeakPolarHBondContact O-CG 3.34Å; T165-L169 PolarHBondContact O-N 3.48Å; A166-L169 PolarHBondContact O-N 2.85Å; L169-H172 PolarHBondContact O-N 3.26Å; L169-L173 WeakPolarHBondContact O-CG 3.27Å; L169-L173 PolarHBondContact O-N 3.42Å
170L90.5Very high88.6Confident82 Ų8243.7 Ų43.743%0.42927%0.266SS..Hα-helixtrans-68.3-39.4-178.7-163.1125.3000111.4A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.26Å; A166-L170 WeakPolarHBondContact O-CB 3.41Å; A166-L170 PolarHBondContact O-N 3.07Å; G167-L170 PolarHBondContact O-N 3.46Å; H168-L170 VanDerWaalsContact C-N 3.34Å; L170-H172 VanDerWaalsContact C-N 3.35Å; L170-H172 PolarHBondContact O-N 3.35Å; L170-L173 PolarHBondContact O-N 3.32Å; L170-I174 HydrophobicContact CD2-CD1 3.94Å; L170-I174 HydrophobicContact CG-CD1 4.42Å; L170-I174 WeakPolarHBondContact O-CG1 3.38Å; L170-I174 PolarHBondContact O-N 2.87Å; L170-L199 HydrophobicContact CD2-CD1 3.26Å; L170-L199 HydrophobicContact CD2-CD2 3.47Å; L170-L199 VanDerWaalsContact CD2-CD2 3.47Å; L170-L199 HydrophobicContact CD2-CG 3.95Å
171M90.8Very high88.9Confident29 Ų2946.7 Ų46.714%0.14328%0.281CS..Hα-helixtrans-59.6-43.3170.8-75.7-171.8-69.400111.9L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 3.93Å; G167-M171 WeakPolarHBondContact O-CB 3.34Å; G167-M171 WeakPolarHBondContact O-CG 3.13Å; G167-M171 PolarHBondContact O-N 3.1Å; H168-M171 PolarHBondContact O-N 2.74Å; M171-G175 PolarHBondContact O-N 3.36Å; M171-L199 HydrophobicContact CB-CD2 4.21Å; M171-L199 HydrophobicContact CG-CD2 3.45Å; M171-L199 VanDerWaalsContact CG-CD2 3.45Å; M171-L199 HydrophobicContact CG-CG 4.09Å; M171-T200 HydrophobicContact SD-CG2 3.92Å; M171-E203 HydrophobicContact CE-CG 4.16Å
172H89.5Confident89Confident76 Ų7649.3 Ų49.335%0.35230%0.3SS..Hα-helixtrans-67.1-41.9178.8-167.7-63.8000112.3L5 H168 L169 L170 G175 S176L5-H172 VanDerWaalsContact CD2-CE1 3.41Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.49Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.13Å; H168-H172 PolarHBondContact O-N 2.98Å; L169-H172 PolarHBondContact O-N 3.26Å; L170-H172 VanDerWaalsContact C-N 3.35Å; L170-H172 PolarHBondContact O-N 3.35Å; H172-G175 PolarHBondContact O-N 3.01Å; H172-S176 PolarHBondContact O-N 2.84Å; H172-S176 PolarHBondContact O-OG 2.9Å
173L90.1Very high89.1Confident88 Ų8853 Ų5346%0.46132%0.318SS..Hα-helixtrans-63.4-47.9178.4-73.6171.9000111.2L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 3.88Å; L5-L173 HydrophobicContact CD2-CD2 4.41Å; L169-L173 WeakPolarHBondContact O-CG 3.27Å; L169-L173 PolarHBondContact O-N 3.42Å; L170-L173 PolarHBondContact O-N 3.32Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 2.9Å; L173-S176 PolarHBondContact O-N 3.46Å; L173-S176 PolarHBondContact O-OG 3.37Å; L173-A177 PolarHBondContact O-N 2.97Å
174I91.4Very high89Confident35 Ų3555 Ų5518%0.17933%0.328CS..Hα-helixtrans-65.9-39177.6-63.9-177.9000110.6L170 S176 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.94Å; L170-I174 HydrophobicContact CG-CD1 4.42Å; L170-I174 WeakPolarHBondContact O-CG1 3.38Å; L170-I174 PolarHBondContact O-N 2.87Å; I174-S176 PolarHBondContact O-N 2.86Å; I174-A177 WeakPolarHBondContact O-CB 3.23Å; I174-A177 PolarHBondContact O-N 3.35Å; I174-T178 HydrophobicContact CG2-CG2 4.44Å; I174-T178 WeakPolarHBondContact O-CG2 3.33Å; I174-T178 PolarHBondContact O-N 3.32Å; I174-T178 PolarHBondContact O-OG1 3.32Å; I174-I192 HydrophobicContact CG2-CG2 3.84Å; I174-I195 HydrophobicContact CD1-CG2 4.19Å; I174-L196 HydrophobicContact CB-CD1 4.25Å; I174-L196 HydrophobicContact CG2-CB 4Å; I174-L196 HydrophobicContact CG2-CD1 4.04Å; I174-L199 HydrophobicContact CD1-CD2 4.1Å
175G90.2Very high89.2Confident23 Ų2359.2 Ų59.224%0.23735%0.35CS..Hα-helixtrans-61.7-38.5174.100000113.7M171 H172 L173 A177 T178 L179M171-G175 PolarHBondContact O-N 3.36Å; H172-G175 PolarHBondContact O-N 3.01Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 2.9Å; G175-A177 VanDerWaalsContact C-N 3.35Å; G175-T178 WeakPolarHBondContact CA-OG1 3.3Å; G175-T178 PolarHBondContact O-OG1 2.97Å; G175-L179 PolarHBondContact O-N 3.41Å
176S89.1Confident89.1Confident54 Ų5464.3 Ų64.338%0.37838%0.375SS..Hα-helixtrans-68.5-36.1173.771.70000112H172 L173 I174 L179 A180H172-S176 PolarHBondContact O-N 2.84Å; H172-S176 PolarHBondContact O-OG 2.9Å; L173-S176 PolarHBondContact O-N 3.46Å; L173-S176 PolarHBondContact O-OG 3.37Å; I174-S176 PolarHBondContact O-N 2.86Å; S176-L179 PolarHBondContact O-N 3.36Å; S176-A180 WeakPolarHBondContact O-CB 3.46Å; S176-A180 PolarHBondContact O-N 2.83Å
177A88.7Confident89.2Confident39 Ų3966.2 Ų66.232%0.32238%0.383SS..Hα-helixtrans-68.9-40.1176.500000112L173 I174 G175 L179 A180 M181L173-A177 PolarHBondContact O-N 2.97Å; I174-A177 WeakPolarHBondContact O-CB 3.23Å; I174-A177 PolarHBondContact O-N 3.35Å; G175-A177 VanDerWaalsContact C-N 3.35Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 3.28Å; A177-A180 PolarHBondContact O-N 2.61Å; A177-M181 WeakPolarHBondContact O-CB 3.26Å; A177-M181 WeakPolarHBondContact O-CG 3.38Å; A177-M181 PolarHBondContact O-N 3.08Å
178T90.8Very high89.1Confident22 Ų2267.7 Ų67.714%0.13539%0.393CS..Hα-helixtrans-61.6-4217555.70000111.2I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.44Å; I174-T178 WeakPolarHBondContact O-CG2 3.33Å; I174-T178 PolarHBondContact O-N 3.32Å; I174-T178 PolarHBondContact O-OG1 3.32Å; G175-T178 WeakPolarHBondContact CA-OG1 3.3Å; G175-T178 PolarHBondContact O-OG1 2.97Å; T178-M181 PolarHBondContact O-N 3.33Å; T178-S182 PolarHBondContact O-N 3.34Å; T178-I192 HydrophobicContact CG2-CB 3.88Å; T178-I192 HydrophobicContact CG2-CG2 3.37Å
179L89.9Confident89.3Confident128 Ų12867 Ų6767%0.6739%0.391SS*.Hα-helixtrans-69.9-36179-167.7139.3000112.6G175 S176 A177 S182G175-L179 PolarHBondContact O-N 3.41Å; S176-L179 PolarHBondContact O-N 3.36Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 3.28Å; L179-S182 PolarHBondContact O-OG 3.41Å
180A88.8Confident89.5Confident47 Ų4770.6 Ų70.639%0.38841%0.41SS..Hα-helixtrans-66-46.1172.500000111.3S176 A177 S182 T183S176-A180 WeakPolarHBondContact O-CB 3.46Å; S176-A180 PolarHBondContact O-N 2.83Å; A177-A180 PolarHBondContact O-N 2.61Å; A180-S182 VanDerWaalsContact C-N 3.27Å; A180-S182 PolarHBondContact O-N 2.78Å; A180-T183 PolarHBondContact O-N 3.1Å; A180-T183 PolarHBondContact O-OG1 2.8Å
181M88.1Confident89.6Confident63 Ų6371.8 Ų71.831%0.3142%0.415SS..Hα-helixtrans-69.4-22.9-178.3-67-65.6110.300113A177 T178 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.26Å; A177-M181 WeakPolarHBondContact O-CG 3.38Å; A177-M181 PolarHBondContact O-N 3.08Å; T178-M181 PolarHBondContact O-N 3.33Å; M181-T183 PolarHBondContact O-N 3.33Å; M181-T183 VanDerWaalsContact O-N 3.17Å; M181-I184 HydrophobicContact CE-CD1 3.6Å; M181-I184 PolarHBondContact O-N 2.99Å; M181-I184 HydrophobicContact SD-CD1 4.26Å; M181-N185 PolarHBondContact O-N 3.42Å; M181-N185 VanDerWaalsContact O-N 3.11Å; M181-T189 HydrophobicContact CB-CG2 3.63Å; M181-T189 WeakPolarHBondContact O-CG2 3.49Å; M181-I192 HydrophobicContact CB-CD1 4.25Å; M181-I192 HydrophobicContact CG-CD1 3.7Å
182S88.1Confident89.7Confident68 Ų6872.4 Ų72.448%0.47642%0.419SS..THydrogen-bonded Turntrans-63-24.1-179.569.40000112.6T178 L179 A180 T189T178-S182 PolarHBondContact O-N 3.34Å; L179-S182 PolarHBondContact O-OG 3.41Å; A180-S182 VanDerWaalsContact C-N 3.27Å; A180-S182 PolarHBondContact O-N 2.78Å; S182-T189 VanDerWaalsContact N-CG2 3.27Å
183T87.6Confident89.9Confident119 Ų11973.8 Ų73.873%0.7342%0.424SS*.THydrogen-bonded Turntrans-82.5-19.117666.50000113.5A180 M181A180-T183 PolarHBondContact O-N 3.1Å; A180-T183 PolarHBondContact O-OG1 2.8Å; M181-T183 PolarHBondContact O-N 3.33Å; M181-T183 VanDerWaalsContact O-N 3.17Å
184I88.2Confident90.1Very high104 Ų10473.1 Ų73.153%0.53342%0.424SS..THydrogen-bonded Turntrans-100.4-61.7-171.8-53.9177.1000110.9M181M181-I184 HydrophobicContact CE-CD1 3.6Å; M181-I184 PolarHBondContact O-N 2.99Å; M181-I184 HydrophobicContact SD-CD1 4.26Å
185N88.7Confident90.2Very high94 Ų9475.4 Ų75.450%0.50344%0.435SS..  trans-147.8113.1-170.5-83.5-22.6000112.7M181 S188 T189M181-N185 PolarHBondContact O-N 3.42Å; M181-N185 VanDerWaalsContact O-N 3.11Å; N185-S188 WeakPolarHBondContact CB-OG 3.5Å; N185-S188 PolarHBondContact O-N 3.33Å; N185-S188 PolarHBondContact O-OG 3.31Å; N185-T189 VanDerWaalsContact O-CG2 3.25Å; N185-T189 WeakPolarHBondContact O-CG2 3.3Å; N185-T189 PolarHBondContact O-N 3.38Å
186L87.6Confident90.4Very high143 Ų14375.8 Ų75.875%0.74943%0.432SS*.Hα-helixtrans-56.8-39.9178.4-160.281.2000116.1S188 T189 L190L186-S188 PolarHBondContact O-N 2.88Å; L186-T189 WeakPolarHBondContact CA-OG1 3.37Å; L186-T189 PolarHBondContact O-N 3.37Å; L186-T189 PolarHBondContact O-OG1 3.4Å; L186-L190 PolarHBondContact O-N 2.94Å
187P89.1Confident90.6Very high96 Ų9676.9 Ų76.962%0.62343%0.433SS*.Hα-helixtrans-69.7-36-179.524.9-32.4000111.9T189 L190P187-T189 VanDerWaalsContact C-N 3.32Å; P187-T189 PolarHBondContact O-N 3.31Å; P187-L190 PolarHBondContact O-N 2.94Å
188S88Confident90.9Very high36 Ų3680.9 Ų80.925%0.25245%0.448SS..Hα-helixtrans-67.7-33.7177.171.20000112.3N185 L186 L190 I191 I192N185-S188 WeakPolarHBondContact CB-OG 3.5Å; N185-S188 PolarHBondContact O-N 3.33Å; N185-S188 PolarHBondContact O-OG 3.31Å; L186-S188 PolarHBondContact O-N 2.88Å; S188-L190 VanDerWaalsContact C-N 3.33Å; S188-L190 PolarHBondContact O-N 3.46Å; S188-I191 PolarHBondContact O-N 2.95Å; S188-I192 WeakPolarHBondContact O-CG1 3.05Å; S188-I192 PolarHBondContact O-N 3.44Å
189T92.2Very high91Very high19 Ų1980.8 Ų80.812%0.11745%0.447CS..Hα-helixtrans-68.7-36.2179.259.30000112.1M181 S182 N185 L186 P187 I191 I192 F193M181-T189 HydrophobicContact CB-CG2 3.63Å; M181-T189 WeakPolarHBondContact O-CG2 3.49Å; S182-T189 VanDerWaalsContact N-CG2 3.27Å; N185-T189 VanDerWaalsContact O-CG2 3.25Å; N185-T189 WeakPolarHBondContact O-CG2 3.3Å; N185-T189 PolarHBondContact O-N 3.38Å; L186-T189 WeakPolarHBondContact CA-OG1 3.37Å; L186-T189 PolarHBondContact O-N 3.37Å; L186-T189 PolarHBondContact O-OG1 3.4Å; P187-T189 VanDerWaalsContact C-N 3.32Å; P187-T189 PolarHBondContact O-N 3.31Å; T189-I191 VanDerWaalsContact C-N 3.27Å; T189-I191 PolarHBondContact O-N 2.96Å; T189-I192 PolarHBondContact O-N 3.39Å; T189-F193 WeakPolarHBondContact O-CB 3.13Å; T189-F193 PolarHBondContact O-N 3.46Å
190L91.7Very high91.1Very high118 Ų11877.2 Ų77.262%0.61843%0.43SS*.Hα-helixtrans-60.5-41.8176.7-160.486000110.6L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 2.94Å; P187-L190 PolarHBondContact O-N 2.94Å; S188-L190 VanDerWaalsContact C-N 3.33Å; S188-L190 PolarHBondContact O-N 3.46Å; L190-F193 PolarHBondContact O-N 3.28Å; L190-T194 WeakPolarHBondContact O-CG2 3.45Å; L190-T194 PolarHBondContact O-N 3.22Å; L190-T194 PolarHBondContact O-OG1 2.92Å
191I93.2Very high91.3Very high106 Ų10679.9 Ų79.954%0.54444%0.437SS..Hα-helixtrans-65.1-45.2178.7-61.1166.2000111.2S188 T189 F193 T194 I195S188-I191 PolarHBondContact O-N 2.95Å; T189-I191 VanDerWaalsContact C-N 3.27Å; T189-I191 PolarHBondContact O-N 2.96Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 3.39Å; I191-T194 PolarHBondContact O-N 3.48Å; I191-T194 PolarHBondContact O-OG1 3.25Å; I191-I195 HydrophobicContact CG2-CD1 4.33Å; I191-I195 WeakPolarHBondContact O-CG1 3.01Å; I191-I195 PolarHBondContact O-N 2.97Å; I191-I195 VanDerWaalsContact O-N 3.17Å
192I93.3Very high91.5Very high42 Ų4281.7 Ų81.722%0.21545%0.447CS..Hα-helixtrans-70.2-33.8179.9-56168.5000110.4I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.84Å; T178-I192 HydrophobicContact CG2-CB 3.88Å; T178-I192 HydrophobicContact CG2-CG2 3.37Å; M181-I192 HydrophobicContact CB-CD1 4.25Å; M181-I192 HydrophobicContact CG-CD1 3.7Å; S188-I192 WeakPolarHBondContact O-CG1 3.05Å; S188-I192 PolarHBondContact O-N 3.44Å; T189-I192 PolarHBondContact O-N 3.39Å; I192-I195 WeakPolarHBondContact O-CB 3.46Å; I192-I195 PolarHBondContact O-N 2.88Å; I192-L196 PolarHBondContact O-N 3.18Å
193F93Very high91.7Very high106 Ų10679 Ų7947%0.46543%0.427SS..Hα-helixtrans-66.7-38.9175.6-174.2-106000112.5T189 L190 I191 I195 L196 I197T189-F193 WeakPolarHBondContact O-CB 3.13Å; T189-F193 PolarHBondContact O-N 3.46Å; L190-F193 PolarHBondContact O-N 3.28Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 3.39Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 3.49Å; F193-L196 HydrophobicContact CD2-CD2 4.42Å; F193-L196 WeakPolarHBondContact O-CB 3.35Å; F193-L196 PolarHBondContact O-N 3Å; F193-I197 HydrophobicContact CD1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CD1 3.49Å; F193-I197 VanDerWaalsContact CE1-CD1 3.49Å; F193-I197 HydrophobicContact CE1-CG1 4.26Å; F193-I197 HydrophobicContact CZ-CD1 4.09Å; F193-I197 HydrophobicContact CZ-CG1 4.44Å; F193-I197 PolarHBondContact O-N 2.74Å
194T93.8Very high91.9Very high74 Ų7477.4 Ų77.445%0.45441%0.413SS..Hα-helixtrans-64.9-37173.256.40000111.7L190 I191 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.45Å; L190-T194 PolarHBondContact O-N 3.22Å; L190-T194 PolarHBondContact O-OG1 2.92Å; I191-T194 PolarHBondContact O-N 3.48Å; I191-T194 PolarHBondContact O-OG1 3.25Å; T194-I197 PolarHBondContact O-N 3.48Å; T194-L198 PolarHBondContact O-N 3.36Å
195I94.4Very high92.1Very high82 Ų8274.6 Ų74.642%0.42141%0.405SS..Hα-helixtrans-62.2-42.7172.7-66166.1000110.9I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.19Å; I191-I195 HydrophobicContact CG2-CD1 4.33Å; I191-I195 WeakPolarHBondContact O-CG1 3.01Å; I191-I195 PolarHBondContact O-N 2.97Å; I191-I195 VanDerWaalsContact O-N 3.17Å; I192-I195 WeakPolarHBondContact O-CB 3.46Å; I192-I195 PolarHBondContact O-N 2.88Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 3.49Å; I195-I197 PolarHBondContact O-N 2.89Å; I195-L198 PolarHBondContact O-N 2.88Å; I195-L199 WeakPolarHBondContact O-CB 3.27Å; I195-L199 PolarHBondContact O-N 3.31Å
196L93.7Very high92.2Very high32 Ų3272 Ų7217%0.16839%0.393CS..Hα-helixtrans-59.4-45.2176-177.767.2000111.5I174 I192 F193 L198 L199 T200I174-L196 HydrophobicContact CB-CD1 4.25Å; I174-L196 HydrophobicContact CG2-CB 4Å; I174-L196 HydrophobicContact CG2-CD1 4.04Å; I192-L196 PolarHBondContact O-N 3.18Å; F193-L196 HydrophobicContact CD2-CD2 4.42Å; F193-L196 WeakPolarHBondContact O-CB 3.35Å; F193-L196 PolarHBondContact O-N 3Å; L196-L198 PolarHBondContact O-N 3.15Å; L196-L199 WeakPolarHBondContact O-CB 3.4Å; L196-L199 PolarHBondContact O-N 2.87Å; L196-T200 WeakPolarHBondContact O-CG2 3.32Å; L196-T200 PolarHBondContact O-N 3.44Å
197I93.3Very high92.3Very high77 Ų7765.4 Ų65.440%0.39536%0.359SS..Hα-helixtrans-60.9-47.6176.5-67.6165.8000110.5F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CD1 3.49Å; F193-I197 VanDerWaalsContact CE1-CD1 3.49Å; F193-I197 HydrophobicContact CE1-CG1 4.26Å; F193-I197 HydrophobicContact CZ-CD1 4.09Å; F193-I197 HydrophobicContact CZ-CG1 4.44Å; F193-I197 PolarHBondContact O-N 2.74Å; T194-I197 PolarHBondContact O-N 3.48Å; I195-I197 PolarHBondContact O-N 2.89Å; I197-L199 VanDerWaalsContact C-N 3.27Å; I197-L199 PolarHBondContact O-N 3.43Å; I197-T200 PolarHBondContact O-N 3.05Å; I197-T200 VanDerWaalsContact O-N 3.13Å; I197-T200 PolarHBondContact O-OG1 3.48Å; I197-I201 HydrophobicContact CG2-CD1 4.11Å; I197-I201 WeakPolarHBondContact O-CG1 3.5Å; I197-I201 PolarHBondContact O-N 3.01Å; I197-I201 VanDerWaalsContact O-N 3.12Å
198L95.2Very high92.4Very high122 Ų12266 Ų6664%0.63936%0.357SS*.Hα-helixtrans-59.4-41.6179.6-177.664.6000111.6T194 I195 L196 I201 L202T194-L198 PolarHBondContact O-N 3.36Å; I195-L198 PolarHBondContact O-N 2.88Å; L196-L198 PolarHBondContact O-N 3.15Å; L198-I201 PolarHBondContact O-N 3.35Å; L198-L202 PolarHBondContact O-N 3Å
199L93.8Very high92.5Very high21 Ų2168.9 Ų68.911%0.1137%0.368CS..Hα-helixtrans-61.8-43.7175.5176.774.2000112.1L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CD2-CD1 3.26Å; L170-L199 HydrophobicContact CD2-CD2 3.47Å; L170-L199 VanDerWaalsContact CD2-CD2 3.47Å; L170-L199 HydrophobicContact CD2-CG 3.95Å; M171-L199 HydrophobicContact CB-CD2 4.21Å; M171-L199 HydrophobicContact CG-CD2 3.45Å; M171-L199 VanDerWaalsContact CG-CD2 3.45Å; M171-L199 HydrophobicContact CG-CG 4.09Å; I174-L199 HydrophobicContact CD1-CD2 4.1Å; I195-L199 WeakPolarHBondContact O-CB 3.27Å; I195-L199 PolarHBondContact O-N 3.31Å; L196-L199 WeakPolarHBondContact O-CB 3.4Å; L196-L199 PolarHBondContact O-N 2.87Å; I197-L199 VanDerWaalsContact C-N 3.27Å; I197-L199 PolarHBondContact O-N 3.43Å; L199-I201 VanDerWaalsContact C-N 3.26Å; L199-I201 PolarHBondContact O-N 3.13Å; L199-L202 WeakPolarHBondContact O-CB 3.46Å; L199-L202 PolarHBondContact O-N 3.15Å; L199-L202 VanDerWaalsContact O-N 3.15Å; L199-E203 PolarHBondContact O-N 3.47Å
200T91.8Very high92.4Very high52 Ų5268.5 Ų68.532%0.31937%0.365SS..Hα-helixtrans-61.6-38.1178.360.60000111.8M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.92Å; L196-T200 WeakPolarHBondContact O-CG2 3.32Å; L196-T200 PolarHBondContact O-N 3.44Å; I197-T200 PolarHBondContact O-N 3.05Å; I197-T200 VanDerWaalsContact O-N 3.13Å; I197-T200 PolarHBondContact O-OG1 3.48Å; T200-E203 PolarHBondContact O-N 2.98Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.43Å; T200-I204 PolarHBondContact O-N 3.28Å
201I93.3Very high92.3Very high103 Ų10362.9 Ų62.953%0.52834%0.336SS..Hα-helixtrans-64.8-43.4175.4-64.4167.6000110.4I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.11Å; I197-I201 WeakPolarHBondContact O-CG1 3.5Å; I197-I201 PolarHBondContact O-N 3.01Å; I197-I201 VanDerWaalsContact O-N 3.12Å; L198-I201 PolarHBondContact O-N 3.35Å; L199-I201 VanDerWaalsContact C-N 3.26Å; L199-I201 PolarHBondContact O-N 3.13Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.15Å; I201-I204 PolarHBondContact O-N 3.03Å; I201-A205 PolarHBondContact O-N 3.43Å; I201-A205 VanDerWaalsContact O-N 3.15Å
202L92.4Very high92.2Very high102 Ų10262.7 Ų62.753%0.53433%0.329SS..Hα-helixtrans-59.4-45.2175.8179.467.7000111.1L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 3Å; L199-L202 WeakPolarHBondContact O-CB 3.46Å; L199-L202 PolarHBondContact O-N 3.15Å; L199-L202 VanDerWaalsContact O-N 3.15Å; L202-I204 PolarHBondContact O-N 2.89Å; L202-A205 WeakPolarHBondContact O-CB 3.47Å; L202-A205 PolarHBondContact O-N 2.98Å; L202-A205 VanDerWaalsContact O-N 3.13Å; L202-V206 HydrophobicContact CD1-CG2 4.38Å; L202-V206 HydrophobicContact CG-CG2 4.34Å; L202-V206 WeakPolarHBondContact O-CG2 3.5Å; L202-V206 PolarHBondContact O-N 3.38Å
203E91.1Very high92.1Very high12 Ų1262.7 Ų62.76%0.05633%0.331CS..Hα-helixtrans-67.7-36.8-176.9-162.264.4-160.200112L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.44Å; L87-E203 HydrophobicContact CD2-CB 4.2Å; L87-E203 HydrophobicContact CD2-CG 3.42Å; L87-E203 VanDerWaalsContact CD2-CG 3.42Å; G167-E203 WeakPolarHBondContact CA-OE2 3.28Å; M171-E203 HydrophobicContact CE-CG 4.16Å; L199-E203 PolarHBondContact O-N 3.47Å; T200-E203 PolarHBondContact O-N 2.98Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.15Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 2.79Å; E203-V206 PolarHBondContact O-N 2.85Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.4Å; E203-A207 PolarHBondContact O-N 3.46Å
204I91.4Very high91.8Very high85 Ų8557.7 Ų57.744%0.43631%0.308SS..Hα-helixtrans-59.5-43.2171.4-67.5165000110.6L87 T200 I201 L202 L208L87-I204 HydrophobicContact CD1-CB 4.21Å; L87-I204 HydrophobicContact CD1-CG1 3.62Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.43Å; T200-I204 PolarHBondContact O-N 3.28Å; I201-I204 PolarHBondContact O-N 3.03Å; L202-I204 PolarHBondContact O-N 2.89Å; I204-L208 PolarHBondContact O-N 2.8Å
205A92.3Very high91.6Very high45 Ų4554.1 Ų54.137%0.37229%0.287SS..Hα-helixtrans-65.5-45.5177.200000111.7I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 3.43Å; I201-A205 VanDerWaalsContact O-N 3.15Å; L202-A205 WeakPolarHBondContact O-CB 3.47Å; L202-A205 PolarHBondContact O-N 2.98Å; L202-A205 VanDerWaalsContact O-N 3.13Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 2.79Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 3.2Å; A205-L208 PolarHBondContact O-N 3.5Å; A205-I209 WeakPolarHBondContact O-CB 3.49Å; A205-I209 VanDerWaalsContact O-CG1 3.26Å; A205-I209 WeakPolarHBondContact O-CG1 3.38Å; A205-I209 PolarHBondContact O-N 3.43Å
206V92.1Very high91.3Very high38 Ų3853 Ų5323%0.2328%0.281CS..Hα-helixtrans-61.1-42.6177.8172.10000111.1N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.1Å; L202-V206 HydrophobicContact CD1-CG2 4.38Å; L202-V206 HydrophobicContact CG-CG2 4.34Å; L202-V206 WeakPolarHBondContact O-CG2 3.5Å; L202-V206 PolarHBondContact O-N 3.38Å; E203-V206 PolarHBondContact O-N 2.85Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.34Å; V206-I209 PolarHBondContact O-N 2.94Å; V206-Q210 WeakPolarHBondContact O-CB 3.35Å; V206-Q210 PolarHBondContact O-N 2.85Å
207A89.8Confident91Very high5 Ų553.2 Ų53.24%0.04128%0.282CS..Hα-helixtrans-57.4-41.8178.300000112.9N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.88Å; N83-A207 PolarHBondContact ND2-O 3.08Å; L87-A207 HydrophobicContact CD1-CB 4.08Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.4Å; E203-A207 PolarHBondContact O-N 3.46Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 3.2Å; A207-A211 PolarHBondContact O-N 3.47Å
208L89.8Confident90.7Very high110 Ų11049.7 Ų49.758%0.57627%0.265SS*.Hα-helixtrans-75.2-45.3178.7-169.4151.7000111.9I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 2.8Å; A205-L208 PolarHBondContact O-N 3.5Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.34Å; L208-Q210 VanDerWaalsContact C-N 3.25Å; L208-Q210 PolarHBondContact O-N 3.04Å; L208-A211 PolarHBondContact O-N 2.94Å; L208-Y212 PolarHBondContact O-N 3.29Å; L208-Y212 VanDerWaalsContact O-N 3.17Å
209I91.4Very high90.3Very high96 Ų9644.5 Ų44.549%0.49224%0.238SC..Hα-helixtrans-59.9-40.6177.9-69.2166.2000110.3A205 V206 A211 Y212 V213A205-I209 WeakPolarHBondContact O-CB 3.49Å; A205-I209 VanDerWaalsContact O-CG1 3.26Å; A205-I209 WeakPolarHBondContact O-CG1 3.38Å; A205-I209 PolarHBondContact O-N 3.43Å; V206-I209 PolarHBondContact O-N 2.94Å; I209-A211 PolarHBondContact O-N 3.23Å; I209-Y212 WeakPolarHBondContact O-CB 3.47Å; I209-Y212 PolarHBondContact O-N 2.67Å; I209-V213 HydrophobicContact CG2-CG2 4.03Å; I209-V213 WeakPolarHBondContact O-CG2 3.4Å; I209-V213 PolarHBondContact O-N 2.99Å
210Q89.6Confident89.9Confident11 Ų1147.1 Ų47.15%0.05125%0.252CS..Hα-helixtrans-67.2-37.6-177.6-173.463.37.100112.3R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact C-NE2 3.25Å; R159-Q210 VanDerWaalsContact CG-NE2 3.32Å; L160-Q210 VanDerWaalsContact CA-NE2 3.25Å; L160-Q210 HydrophobicContact CB-CG 4.27Å; L160-Q210 HydrophobicContact CD1-CB 4.34Å; L160-Q210 HydrophobicContact CD1-CG 3.38Å; L160-Q210 HydrophobicContact CG-CG 4.41Å; V206-Q210 WeakPolarHBondContact O-CB 3.35Å; V206-Q210 PolarHBondContact O-N 2.85Å; L208-Q210 VanDerWaalsContact C-N 3.25Å; L208-Q210 PolarHBondContact O-N 3.04Å; Q210-Y212 VanDerWaalsContact C-N 3.33Å; Q210-F214 VanDerWaalsContact O-CB 3.31Å; Q210-F214 WeakPolarHBondContact O-CB 3.26Å; Q210-F214 PolarHBondContact O-N 3.34Å
211A90.1Very high89.4Confident0 Ų045.6 Ų45.60%024%0.241CC..Hα-helixtrans-62.2-41.917200000111.6I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.46Å; I79-A211 HydrophobicContact CB-CB 4.03Å; I79-A211 HydrophobicContact CG2-CB 3.78Å; A80-A211 HydrophobicContact CB-CB 3.91Å; A207-A211 PolarHBondContact O-N 3.47Å; L208-A211 PolarHBondContact O-N 2.94Å; I209-A211 PolarHBondContact O-N 3.23Å; A211-T215 WeakPolarHBondContact O-CG2 3.49Å; A211-T215 PolarHBondContact O-N 2.91Å; A211-T215 PolarHBondContact O-OG1 3Å
212Y90.3Very high88.9Confident102 Ų10240.7 Ų40.740%0.422%0.216SC..Hα-helixtrans-64.8-49176.3176.1-100.9000112.6I76 L208 I209 Q210 F214 T215 L216I76-Y212 HydrophobicContact CD1-CD2 4.17Å; L208-Y212 PolarHBondContact O-N 3.29Å; L208-Y212 VanDerWaalsContact O-N 3.17Å; I209-Y212 WeakPolarHBondContact O-CB 3.47Å; I209-Y212 PolarHBondContact O-N 2.67Å; Q210-Y212 VanDerWaalsContact C-N 3.33Å; Y212-F214 VanDerWaalsContact C-N 3.31Å; Y212-F214 PolarHBondContact O-N 2.99Å; Y212-T215 PolarHBondContact O-N 3.5Å; Y212-T215 PolarHBondContact O-OG1 3.28Å; Y212-L216 HydrophobicContact CE1-CD1 3.67Å; Y212-L216 HydrophobicContact CE2-CD1 4.41Å; Y212-L216 VanDerWaalsContact O-CB 3.26Å; Y212-L216 WeakPolarHBondContact O-CB 3.41Å; Y212-L216 PolarHBondContact O-N 3.13Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.33Å
213V90.4Very high88.4Confident42 Ų4239.8 Ų39.826%0.25521%0.208SC..Hα-helixtrans-63-38.9179.4172.50000111.2I209 L217I209-V213 HydrophobicContact CG2-CG2 4.03Å; I209-V213 WeakPolarHBondContact O-CG2 3.4Å; I209-V213 PolarHBondContact O-N 2.99Å; V213-L217 HydrophobicContact CG1-CD1 3.9Å; V213-L217 WeakPolarHBondContact O-CG 3.38Å; V213-L217 PolarHBondContact O-N 3.12Å
214F88.2Confident87.8Confident0 Ų042.8 Ų42.80%023%0.225CC..Hα-helixtrans-57.5-52.9176.6-173.5-80000111.1L75 I79 A105 L108 L156 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.11Å; L75-F214 HydrophobicContact CD2-CD1 3.88Å; L75-F214 HydrophobicContact CD2-CE1 3.8Å; L75-F214 HydrophobicContact CG-CD1 4.33Å; L75-F214 HydrophobicContact CG-CE1 4.21Å; I79-F214 HydrophobicContact CD1-CB 4.24Å; I79-F214 HydrophobicContact CD1-CD1 3.37Å; I79-F214 HydrophobicContact CD1-CD2 4.35Å; I79-F214 HydrophobicContact CD1-CE1 3.71Å; I79-F214 HydrophobicContact CD1-CG 3.74Å; I79-F214 HydrophobicContact CD1-CZ 4.34Å; A105-F214 HydrophobicContact CB-CE2 4.31Å; A105-F214 HydrophobicContact CB-CZ 4.12Å; L108-F214 HydrophobicContact CD1-CE1 4.19Å; L156-F214 HydrophobicContact CD1-CD2 4.22Å; L156-F214 HydrophobicContact CD2-CD1 4.13Å; L156-F214 HydrophobicContact CD2-CD2 3.31Å; L156-F214 HydrophobicContact CD2-CE1 3.98Å; L156-F214 HydrophobicContact CD2-CE2 3.13Å; L156-F214 HydrophobicContact CD2-CG 3.83Å; L156-F214 HydrophobicContact CD2-CZ 3.49Å; L156-F214 VanDerWaalsContact CD2-CZ 3.49Å; L156-F214 HydrophobicContact CG-CD2 3.44Å; L156-F214 VanDerWaalsContact CG-CD2 3.44Å; L156-F214 HydrophobicContact CG-CE2 3.63Å; L156-F214 HydrophobicContact CG-CG 4.15Å; L156-F214 HydrophobicContact CG-CZ 4.45Å; Q210-F214 VanDerWaalsContact O-CB 3.31Å; Q210-F214 WeakPolarHBondContact O-CB 3.26Å; Q210-F214 PolarHBondContact O-N 3.34Å; Y212-F214 VanDerWaalsContact C-N 3.31Å; Y212-F214 PolarHBondContact O-N 2.99Å; F214-L217 PolarHBondContact O-N 3.34Å; F214-V218 HydrophobicContact CD1-CG2 4.36Å; F214-V218 HydrophobicContact CE1-CG2 4.17Å; F214-V218 WeakPolarHBondContact O-CG2 3.2Å; F214-V218 PolarHBondContact O-N 3.32Å
215T89.4Confident87Confident0 Ų040.2 Ų40.20%021%0.212CC..Hα-helixtrans-71.9-34.9-175.952.60000112.7M57 L75 I76 A211 Y212 V218 S219M57-T215 VanDerWaalsContact CE-OG1 3.25Å; M57-T215 WeakPolarHBondContact CE-OG1 3.34Å; L75-T215 HydrophobicContact CB-CG2 4.08Å; L75-T215 HydrophobicContact CD2-CG2 3.47Å; L75-T215 VanDerWaalsContact CD2-CG2 3.47Å; L75-T215 HydrophobicContact CG-CG2 3.72Å; I76-T215 VanDerWaalsContact CA-CG2 3.45Å; I76-T215 HydrophobicContact CB-CG2 3.5Å; I76-T215 VanDerWaalsContact CB-CG2 3.5Å; I76-T215 WeakPolarHBondContact CD1-OG1 3.41Å; I76-T215 HydrophobicContact CG1-CG2 4.06Å; A211-T215 WeakPolarHBondContact O-CG2 3.49Å; A211-T215 PolarHBondContact O-N 2.91Å; A211-T215 PolarHBondContact O-OG1 3Å; Y212-T215 PolarHBondContact O-N 3.5Å; Y212-T215 PolarHBondContact O-OG1 3.28Å; T215-V218 PolarHBondContact O-N 3.32Å; T215-S219 WeakPolarHBondContact O-CB 3.38Å; T215-S219 PolarHBondContact O-N 3.11Å
216L88.8Confident85.9Confident59 Ų5939.4 Ų39.431%0.30920%0.202SC..Hα-helixtrans-62.8-44.8174-175.6148.6000111.8Y212 V218 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.67Å; Y212-L216 HydrophobicContact CE2-CD1 4.41Å; Y212-L216 VanDerWaalsContact O-CB 3.26Å; Y212-L216 WeakPolarHBondContact O-CB 3.41Å; Y212-L216 PolarHBondContact O-N 3.13Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.33Å; L216-V218 PolarHBondContact O-N 3.17Å; L216-S219 CarbonylContact O-C 3.6Å; L216-S219 WeakPolarHBondContact O-CB 3.41Å; L216-S219 PolarHBondContact O-N 2.97Å; L216-S219 VanDerWaalsContact O-N 3.15Å; L216-S219 PolarHBondContact O-OG 3.23Å; L216-L220 PolarHBondContact O-N 3.41Å
217L86.9Confident85.6Confident35 Ų3539.5 Ų39.518%0.18320%0.201CC..Hα-helixtrans-63.6-42.5178-76.4167.1000111.5L156 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 3.84Å; L156-L217 HydrophobicContact CD1-CD1 3.37Å; L156-L217 HydrophobicContact CD1-CG 4.24Å; V213-L217 HydrophobicContact CG1-CD1 3.9Å; V213-L217 WeakPolarHBondContact O-CG 3.38Å; V213-L217 PolarHBondContact O-N 3.12Å; F214-L217 PolarHBondContact O-N 3.34Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 2.72Å; L217-L220 PolarHBondContact O-N 3.48Å; L217-Y221 HydrophobicContact CB-CE2 4.14Å; L217-Y221 WeakPolarHBondContact O-CD2 3.47Å; L217-Y221 WeakPolarHBondContact O-CE2 3.47Å; L217-Y221 PolarHBondContact O-N 3.39Å
218V86.1Confident85.4Confident4 Ų441.3 Ų41.32%0.02421%0.209CC..Hα-helixtrans-59.4-41.1173.1177.50000111.3L72 L108 L156 F214 T215 L216 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.24Å; L72-V218 HydrophobicContact CD2-CG1 3.87Å; L108-V218 HydrophobicContact CB-CG1 4.32Å; L156-V218 HydrophobicContact CD2-CG2 4.3Å; F214-V218 HydrophobicContact CD1-CG2 4.36Å; F214-V218 HydrophobicContact CE1-CG2 4.17Å; F214-V218 WeakPolarHBondContact O-CG2 3.2Å; F214-V218 PolarHBondContact O-N 3.32Å; T215-V218 PolarHBondContact O-N 3.32Å; L216-V218 PolarHBondContact O-N 3.17Å; V218-Y221 PolarHBondContact O-N 3.42Å; V218-L222 PolarHBondContact O-N 3.17Å
219S87.2Confident85.2Confident12 Ų1237.5 Ų37.58%0.08419%0.189CC..Hα-helixtrans-66.2-37.917785.40000112.4H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact NE2-O 3.09Å; T215-S219 WeakPolarHBondContact O-CB 3.38Å; T215-S219 PolarHBondContact O-N 3.11Å; L216-S219 CarbonylContact O-C 3.6Å; L216-S219 WeakPolarHBondContact O-CB 3.41Å; L216-S219 PolarHBondContact O-N 2.97Å; L216-S219 VanDerWaalsContact O-N 3.15Å; L216-S219 PolarHBondContact O-OG 3.23Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 2.72Å; S219-L222 WeakPolarHBondContact O-CB 3.34Å; S219-L222 PolarHBondContact O-N 2.95Å; S219-H223 PolarHBondContact O-N 3.32Å
220L85.1Confident84.8Confident77 Ų7734.1 Ų34.140%0.40317%0.171SC..Hα-helixtrans-65.7-42.1176.4-172.7145.2000111L216 L217 L222 H223 D224L216-L220 PolarHBondContact O-N 3.41Å; L217-L220 PolarHBondContact O-N 3.48Å; L220-L222 VanDerWaalsContact C-N 3.26Å; L220-L222 PolarHBondContact O-N 3.43Å; L220-H223 WeakPolarHBondContact O-CB 3.44Å; L220-H223 PolarHBondContact O-N 2.75Å; L220-H223 VanDerWaalsContact O-N 3.08Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.25Å; L220-D224 PolarHBondContact O-N 3.31Å
221Y81.2Confident84.5Confident20 Ų2035.5 Ų35.58%0.07818%0.179CC..Hα-helixtrans-61-38173.1-60.9-46.8000112.5Q152 L217 V218 H223 N225Q152-Y221 HydrophobicContact CG-CE1 4.33Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.46Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.28Å; Q152-Y221 PolarHBondContact NE2-OH 3.47Å; Q152-Y221 PolarHBondContact OE1-OH 3.42Å; L217-Y221 HydrophobicContact CB-CE2 4.14Å; L217-Y221 WeakPolarHBondContact O-CD2 3.47Å; L217-Y221 WeakPolarHBondContact O-CE2 3.47Å; L217-Y221 PolarHBondContact O-N 3.39Å; V218-Y221 PolarHBondContact O-N 3.42Å; Y221-H223 VanDerWaalsContact C-N 3.34Å; Y221-N225 VanDerWaalsContact O-CB 3.31Å; Y221-N225 WeakPolarHBondContact O-CB 3.11Å; Y221-N225 PolarHBondContact O-N 2.85Å; Y221-N225 VanDerWaalsContact O-N 3.14Å; Y221-N225 PolarHBondContact O-ND2 3.18Å
222L82.5Confident84.1Confident0 Ų037.9 Ų37.90%019%0.191CC..Hα-helixtrans-64.9-42.7175.3-17073000110.6W68 A112 M115 V218 S219 L220 N225 T226W68-L222 HydrophobicContact CB-CD2 3.48Å; W68-L222 VanDerWaalsContact CB-CD2 3.48Å; W68-L222 HydrophobicContact CD2-CD1 3.66Å; W68-L222 HydrophobicContact CD2-CD2 3.97Å; W68-L222 HydrophobicContact CD2-CG 4.48Å; W68-L222 HydrophobicContact CE3-CD1 3.8Å; W68-L222 HydrophobicContact CE3-CD2 4.19Å; W68-L222 HydrophobicContact CG-CD1 4.03Å; W68-L222 HydrophobicContact CG-CD2 3.62Å; W68-L222 HydrophobicContact CZ2-CD1 4.41Å; W68-L222 HydrophobicContact CZ3-CD1 4.25Å; A112-L222 HydrophobicContact CB-CD1 4.47Å; M115-L222 HydrophobicContact SD-CD1 4.21Å; V218-L222 PolarHBondContact O-N 3.17Å; S219-L222 WeakPolarHBondContact O-CB 3.34Å; S219-L222 PolarHBondContact O-N 2.95Å; L220-L222 VanDerWaalsContact C-N 3.26Å; L220-L222 PolarHBondContact O-N 3.43Å; L222-N225 PolarHBondContact O-N 3.41Å; L222-T226 HydrophobicContact CD1-CG2 4.35Å; L222-T226 HydrophobicContact CG-CG2 4.29Å; L222-T226 WeakPolarHBondContact O-CB 3.46Å; L222-T226 VanDerWaalsContact O-CG2 3.27Å; L222-T226 WeakPolarHBondContact O-CG2 3.44Å; L222-T226 PolarHBondContact O-N 3.29Å; L222-T226 VanDerWaalsContact O-N 3.09Å; L222-T226 PolarHBondContact O-OG1 3.48Å
223H82.6Confident83.7Confident83 Ų8333.3 Ų33.338%0.38418%0.176SC..Hα-helixtrans-58.4-51.2176.3-175.384.1000111.7M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 2.89Å; M60-H223 PolarHBondContact O-ND1 3.42Å; S219-H223 PolarHBondContact O-N 3.32Å; L220-H223 WeakPolarHBondContact O-CB 3.44Å; L220-H223 PolarHBondContact O-N 2.75Å; L220-H223 VanDerWaalsContact O-N 3.08Å; Y221-H223 VanDerWaalsContact C-N 3.34Å; H223-N225 PolarHBondContact O-N 3.48Å; H223-T226 PolarHBondContact O-N 2.8Å; H223-T226 VanDerWaalsContact O-N 3.11Å; H223-T226 PolarHBondContact O-OG1 3.34Å
224D79.1Confident83.2Confident75 Ų7532.6 Ų32.640%0.40117%0.17SC..Hα-helixtrans-61.2-31-179.4-64.3-18.1000112.6L220L220-D224 WeakPolarHBondContact CD2-OD2 3.25Å; L220-D224 PolarHBondContact O-N 3.31Å
225N74.6Confident82.8Confident31 Ų3135.3 Ų35.317%0.16618%0.184CC..Hα-helixtrans-91.3-2179.8-75-68.5000114.4G116 Y221 L222 H223G116-N225 WeakPolarHBondContact CA-O 3.2Å; Y221-N225 VanDerWaalsContact O-CB 3.31Å; Y221-N225 WeakPolarHBondContact O-CB 3.11Å; Y221-N225 PolarHBondContact O-N 2.85Å; Y221-N225 VanDerWaalsContact O-N 3.14Å; Y221-N225 PolarHBondContact O-ND2 3.18Å; L222-N225 PolarHBondContact O-N 3.41Å; H223-N225 PolarHBondContact O-N 3.48Å
226T69.7Low82.2Confident28 Ų2838.5 Ų38.517%0.17220%0.2CC..  trans-107.30-179.154.90000115.5M115 K120 L222 H223M115-T226 HydrophobicContact CE-CG2 4.41Å; K120-T226 WeakPolarHBondContact CE-O 3.37Å; K120-T226 PolarHBondContact NZ-O 3.49Å; K120-T226 PolarHBondContact NZ-OXT 2.92Å; L222-T226 HydrophobicContact CD1-CG2 4.35Å; L222-T226 HydrophobicContact CG-CG2 4.29Å; L222-T226 WeakPolarHBondContact O-CB 3.46Å; L222-T226 VanDerWaalsContact O-CG2 3.27Å; L222-T226 WeakPolarHBondContact O-CG2 3.44Å; L222-T226 PolarHBondContact O-N 3.29Å; L222-T226 VanDerWaalsContact O-N 3.09Å; L222-T226 PolarHBondContact O-OG1 3.48Å; H223-T226 PolarHBondContact O-N 2.8Å; H223-T226 VanDerWaalsContact O-N 3.11Å; H223-T226 PolarHBondContact O-OG1 3.34Å

Retrieved 226 of 226 residues in 41.6 ms (Link to these results)

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