A0A023QZN9_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A023QZN9, 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
1M44.4Very low72.5Confident219 Ų219102.4 Ų102.4100%1.07955%0.551SS**  0122.30-70.6159.4110.200106E3M1-E3 PolarHBondContact O-N 3.35Å
2N49Very low73.4Confident163 Ų16397 Ų9787%0.87253%0.525SS*.  trans-6787.7168.3-98.513.5000106.2N4N2-N4 PolarHBondContact O-N 3.39Å; N2-N4 VanDerWaalsContact O-N 3.13Å
3E58.3Low74.4Confident131 Ų13197.2 Ų97.261%0.61253%0.532SS*.  trans-54.8118.5166.5-73.7-76.214500106M1 L5M1-E3 PolarHBondContact O-N 3.35Å; E3-L5 PolarHBondContact O-N 3.37Å
4N75.9Confident75.3Confident129 Ų12998.1 Ų98.169%0.6953%0.534SS*.  trans-7276.7179.9-74.9-28.2000108.6N2 F6 A7N2-N4 PolarHBondContact O-N 3.39Å; N2-N4 VanDerWaalsContact O-N 3.13Å; N4-F6 PolarHBondContact O-N 3.29Å; N4-A7 HydrophobicContact CB-CB 3.85Å; N4-A7 WeakPolarHBondContact O-CB 3.4Å; N4-A7 PolarHBondContact O-N 3.41Å
5L76.7Confident75.9Confident44 Ų44103.3 Ų103.323%0.2356%0.56CS.*THydrogen-bonded Turntrans-52.8-27.5175.7-63.5176.3000111.8E3 L169 H172 L173E3-L5 PolarHBondContact O-N 3.37Å; L5-L169 HydrophobicContact CB-CD2 4.32Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.37Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.06Å; L5-L173 HydrophobicContact CD1-CD2 3.87Å; L5-L173 HydrophobicContact CD2-CD2 4.47Å
6F81.6Confident76.3Confident135 Ų135101.5 Ų101.559%0.59257%0.573SS**THydrogen-bonded Turntrans-88.4-5.9-180-64.4-76.6000114.8N4 S8 F9 L169N4-F6 PolarHBondContact O-N 3.29Å; F6-S8 PolarHBondContact O-N 3.01Å; F6-F9 AromaticContact CD1-CD2 3.96Å; F6-F9 HydrophobicContact CD1-CD2 3.96Å; F6-F9 HydrophobicContact CD1-CE2 4.35Å; F6-F9 PolarHBondContact O-N 2.94Å; F6-L169 HydrophobicContact CD1-CD2 4.47Å; F6-L169 HydrophobicContact CE1-CD1 4.07Å; F6-L169 HydrophobicContact CE1-CD2 4.12Å; F6-L169 HydrophobicContact CZ-CD2 4.49Å
7A80.7Confident76.7Confident51 Ų51103.4 Ų103.442%0.42158%0.58SS.*G310 helixtrans-59.2-34.5-17800000112.3N4 F9 I10N4-A7 HydrophobicContact CB-CB 3.85Å; N4-A7 WeakPolarHBondContact O-CB 3.4Å; N4-A7 PolarHBondContact O-N 3.41Å; A7-F9 PolarHBondContact O-N 3.36Å; A7-I10 PolarHBondContact O-N 3.49Å
8S79.9Confident77Confident61 Ų61101.5 Ų101.543%0.42758%0.575SS.*G310 helixtrans-67.4-19.2177.557.80000114F6 F92F6-S8 PolarHBondContact O-N 3.01Å; S8-F92 WeakPolarHBondContact O-CD2 3.4Å
9F82.6Confident77.5Confident22 Ų2297.2 Ų97.210%0.09655%0.553CS.*G310 helixtrans-93.6-9.9177.8-58-70.3000112.8F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 AromaticContact CD1-CD2 3.96Å; F6-F9 HydrophobicContact CD1-CD2 3.96Å; F6-F9 HydrophobicContact CD1-CE2 4.35Å; F6-F9 PolarHBondContact O-N 2.94Å; A7-F9 PolarHBondContact O-N 3.36Å; F9-A11 PolarHBondContact O-N 2.95Å; F9-T96 HydrophobicContact CD1-CG2 3.86Å; F9-T96 HydrophobicContact CE1-CG2 3.74Å; F9-Q97 PolarHBondContact O-NE2 3.01Å; F9-T165 HydrophobicContact CD1-CG2 4.45Å; F9-T165 HydrophobicContact CE1-CG2 4.16Å; F9-H168 HydrophobicContact CE1-CB 4.11Å; F9-H168 HydrophobicContact CZ-CB 3.83Å; F9-L169 HydrophobicContact CE2-CD1 4.45Å; F9-L169 HydrophobicContact CE2-CD2 3.67Å; F9-L169 HydrophobicContact CE2-CG 3.77Å; F9-L169 HydrophobicContact CZ-CD2 4.31Å; F9-L169 HydrophobicContact CZ-CG 3.94Å
10I84.6Confident77.8Confident120 Ų12093.3 Ų93.362%0.61553%0.534SS*.SBendtrans-70.1129.6178.2-59.3173.7000108.3A7 P12A7-I10 PolarHBondContact O-N 3.49Å; I10-P12 WeakPolarHBondContact O-CD 3.43Å
11A83.4Confident78.2Confident51 Ų5192.7 Ų92.742%0.42153%0.532SS..PPolyproline II helixtrans-58121.3179.700000110.1F9 T13F9-A11 PolarHBondContact O-N 2.95Å; A11-T13 PolarHBondContact O-N 2.98Å
12P83.7Confident80.2Confident38 Ų3888.3 Ų88.325%0.24751%0.512CS..PPolyproline II helixtrans-70.2127.4-174.526.4-33000109.8I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.43Å; P12-A19 HydrophobicContact CB-CB 4.18Å; P12-A19 HydrophobicContact CG-CB 4.23Å; P12-A19 WeakPolarHBondContact O-CB 3.12Å; P12-A19 PolarHBondContact O-N 2.95Å; P12-I23 HydrophobicContact CG-CD1 3.62Å; P12-F92 HydrophobicContact CG-CB 4.41Å; P12-F92 HydrophobicContact CG-CD1 4.15Å; P12-F92 HydrophobicContact CG-CG 4.11Å
13T86.8Confident82Confident99 Ų9982.9 Ų82.961%0.60748%0.482SS*.EExtended strand (participates in β ladder)trans-117.5125.9172.152.50000108.5A11 L17A11-T13 PolarHBondContact O-N 2.98Å; T13-L17 CarbonylContact C-O 3.58Å; T13-L17 VanDerWaalsContact CA-O 3.26Å; T13-L17 WeakPolarHBondContact CA-O 3.34Å
14I87.1Confident83.4Confident111 Ų11178.9 Ų78.957%0.56947%0.465SS*.EExtended strand (participates in β ladder)trans-113.2122.7175.7-62.5172.2000106.2G16 L17 A19I14-G16 PolarHBondContact O-N 3.27Å; I14-G16 VanDerWaalsContact O-N 3.13Å; I14-L17 PolarHBondContact N-O 3.02Å; I14-L17 PolarHBondContact O-N 2.99Å; I14-A19 HydrophobicContact CD1-CB 3.86Å; I14-A19 HydrophobicContact CG1-CB 3.99Å
15L83.9Confident84Confident176 Ų17678.4 Ų78.492%0.92146%0.461SS*.THydrogen-bonded Turntrans54.431.9178.3-65.4158.3000113.8L17L15-L17 VanDerWaalsContact C-N 3.28Å; L15-L17 PolarHBondContact O-N 3.44Å
16G82.7Confident84.6Confident74 Ų7480.6 Ų80.676%0.76347%0.469SS*.THydrogen-bonded Turntrans81.5-4.1-17800000115.3I14I14-G16 PolarHBondContact O-N 3.27Å; I14-G16 VanDerWaalsContact O-N 3.13Å
17L82.4Confident84.9Confident133 Ų13374.3 Ų74.370%0.69644%0.442SS*.EExtended strand (participates in β ladder)trans-94.6140.8171.8-69.7163.9000110.6T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.58Å; T13-L17 VanDerWaalsContact CA-O 3.26Å; T13-L17 WeakPolarHBondContact CA-O 3.34Å; I14-L17 PolarHBondContact N-O 3.02Å; I14-L17 PolarHBondContact O-N 2.99Å; L15-L17 VanDerWaalsContact C-N 3.28Å; L15-L17 PolarHBondContact O-N 3.44Å; L17-A19 PolarHBondContact O-N 3.16Å; L17-A19 VanDerWaalsContact O-N 3.14Å
18S82.6Confident85.1Confident70 Ų7075.1 Ų75.149%0.4944%0.443SS..EExtended strand (participates in β ladder)trans-70.8106.8176.159.10000110.7A20S18-A20 PolarHBondContact O-N 3.08Å
19A85.3Confident85.5Confident19 Ų1978.6 Ų78.616%0.15746%0.456CS..THydrogen-bonded Turntrans-69.2-14.6175.400000112.5P12 I14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.18Å; P12-A19 HydrophobicContact CG-CB 4.23Å; P12-A19 WeakPolarHBondContact O-CB 3.12Å; P12-A19 PolarHBondContact O-N 2.95Å; I14-A19 HydrophobicContact CD1-CB 3.86Å; I14-A19 HydrophobicContact CG1-CB 3.99Å; L17-A19 PolarHBondContact O-N 3.16Å; L17-A19 VanDerWaalsContact O-N 3.14Å; A19-V21 PolarHBondContact O-N 3.28Å; A19-L22 PolarHBondContact O-N 3.07Å; A19-L22 VanDerWaalsContact O-N 3.09Å; A19-I23 PolarHBondContact O-N 3.45Å
20A85.3Confident85.7Confident20 Ų2081 Ų8117%0.16547%0.47CS..Hα-helixtrans-53.4-35.1175.500000113.5S18 L22 I23 I24 F92S18-A20 PolarHBondContact O-N 3.08Å; A20-L22 VanDerWaalsContact C-N 3.35Å; A20-L22 PolarHBondContact O-N 3.5Å; A20-I23 PolarHBondContact O-N 3.27Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.43Å; A20-I24 PolarHBondContact O-N 3.32Å; A20-F92 HydrophobicContact CB-CE1 4.4Å
21V85.1Confident85.9Confident81 Ų8178 Ų7849%0.49145%0.454SS..Hα-helixtrans-62.7-42.5178.4178.70000111.4A19 I23 I24 L25A19-V21 PolarHBondContact O-N 3.28Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3Å; V21-I24 PolarHBondContact O-N 2.84Å; V21-L25 HydrophobicContact CG1-CD1 4.1Å; V21-L25 WeakPolarHBondContact O-CG 3.3Å; V21-L25 PolarHBondContact O-N 2.95Å; V21-L25 VanDerWaalsContact O-N 3.08Å
22L86Confident86Confident126 Ų12678.2 Ų78.266%0.6645%0.451SS*.Hα-helixtrans-65.9-38.5178.9-169.3145.7000111A19 A20 L25 F26A19-L22 PolarHBondContact O-N 3.07Å; A19-L22 VanDerWaalsContact O-N 3.09Å; A20-L22 VanDerWaalsContact C-N 3.35Å; A20-L22 PolarHBondContact O-N 3.5Å; L22-L25 PolarHBondContact O-N 3.46Å; L22-F26 PolarHBondContact O-N 3.06Å
23I87.9Confident86.2Confident49 Ų4982.8 Ų82.825%0.25148%0.479SS..Hα-helixtrans-66.4-41.1177.4-59.5169.2000110.8P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.62Å; A19-I23 PolarHBondContact O-N 3.45Å; A20-I23 PolarHBondContact O-N 3.27Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.1Å; I23-F26 WeakPolarHBondContact O-CB 3.48Å; I23-F26 PolarHBondContact O-N 3.01Å; I23-P27 VanDerWaalsContact O-CD 3.31Å; I23-P27 WeakPolarHBondContact O-CD 3.32Å; I23-F92 HydrophobicContact CD1-CB 4.04Å; I23-F92 HydrophobicContact CD1-CD1 3.84Å; I23-F92 HydrophobicContact CD1-CG 4.32Å; I23-F92 HydrophobicContact CG2-CD1 4.44Å; I23-F92 WeakPolarHBondContact CG2-O 3.44Å
24I88.2Confident86.2Confident48 Ų4879.9 Ų79.925%0.24646%0.463CS..Hα-helixtrans-65.4-32.3176.6-68.7164.1000111.8A20 V21 F26 P27 F78 P94 M100A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.43Å; A20-I24 PolarHBondContact O-N 3.32Å; V21-I24 PolarHBondContact O-N 2.84Å; I24-F26 VanDerWaalsContact C-N 3.34Å; I24-P27 WeakPolarHBondContact O-CD 2.92Å; I24-F78 HydrophobicContact CG2-CZ 4.31Å; I24-P94 HydrophobicContact CD1-CB 4.25Å; I24-P94 HydrophobicContact CG1-CB 3.68Å; I24-P94 HydrophobicContact CG1-CG 4.05Å; I24-M100 HydrophobicContact CD1-SD 4.28Å; I24-M100 HydrophobicContact CG2-CE 4.28Å
25L87.4Confident86.1Confident118 Ų11884.8 Ų84.862%0.61848%0.48SS*.Hα-helixtrans-81.4-10.3178.4-71.1172000114V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.1Å; V21-L25 WeakPolarHBondContact O-CG 3.3Å; V21-L25 PolarHBondContact O-N 2.95Å; V21-L25 VanDerWaalsContact O-N 3.08Å; L22-L25 PolarHBondContact O-N 3.46Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.1Å; L25-P28 WeakPolarHBondContact O-CD 3.47Å
26F88.8Confident86.2Confident90 Ų9085.3 Ų85.340%0.39547%0.471SS..Hα-helixtrans-70.3-43.9-177.3-168.5-91.8000114.8L22 I23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 3.06Å; I23-F26 WeakPolarHBondContact O-CB 3.48Å; I23-F26 PolarHBondContact O-N 3.01Å; I24-F26 VanDerWaalsContact C-N 3.34Å; F26-L29 VanDerWaalsContact O-CB 3.29Å; F26-L29 WeakPolarHBondContact O-CB 3.25Å; F26-L29 PolarHBondContact O-N 3.43Å; F26-L30 HydrophobicContact CD1-CD1 4.14Å; F26-L30 HydrophobicContact CD1-CG 4.36Å; F26-L30 HydrophobicContact CE1-CD1 3.95Å; F26-L30 HydrophobicContact CE1-CD2 3.94Å; F26-L30 HydrophobicContact CE1-CG 4.05Å; F26-L30 HydrophobicContact CZ-CD2 4.37Å; F26-L85 HydrophobicContact CD1-CD2 3.34Å; F26-L85 HydrophobicContact CE1-CD2 3.63Å; F26-L85 HydrophobicContact CG-CD2 4.48Å
27P88.6Confident86Confident3 Ų390.3 Ų90.32%0.01948%0.479CS..Hα-helixtrans-57-41.8-178.9-15.622.2000115.1I23 I24 L29 L30 T81 T82I23-P27 VanDerWaalsContact O-CD 3.31Å; I23-P27 WeakPolarHBondContact O-CD 3.32Å; I24-P27 WeakPolarHBondContact O-CD 2.92Å; P27-L29 PolarHBondContact O-N 2.89Å; P27-L30 WeakPolarHBondContact O-CB 3.48Å; P27-L30 PolarHBondContact O-N 3.18Å; P27-L30 VanDerWaalsContact O-N 3.08Å; P27-T81 WeakPolarHBondContact CB-OG1 3.25Å; P27-T82 HydrophobicContact CB-CG2 4.29Å; P27-T82 HydrophobicContact CG-CG2 3.54Å
28P84.5Confident86.2Confident69 Ų6991.4 Ų91.445%0.44848%0.484SS..Hα-helixtrans-55.5-32.9173.3-27.233.2000114.3L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.47Å; P28-L30 PolarHBondContact O-N 3.5Å; P28-I31 PolarHBondContact O-N 3.3Å
29L87.9Confident86.5Confident134 Ų13489.4 Ų89.470%0.70247%0.468SS*.Hα-helixtrans-68.2-24.6179.9-172.165.2000112.6F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.29Å; F26-L29 WeakPolarHBondContact O-CB 3.25Å; F26-L29 PolarHBondContact O-N 3.43Å; P27-L29 PolarHBondContact O-N 2.89Å; L29-I31 PolarHBondContact O-N 3.39Å
30L87.7Confident86.7Confident73 Ų7394 Ų9438%0.38249%0.489SS..THydrogen-bonded Turntrans-76.1-6.3179.5-62.8170.4000113.5F26 P27 P28 P32 Q46 L85F26-L30 HydrophobicContact CD1-CD1 4.14Å; F26-L30 HydrophobicContact CD1-CG 4.36Å; F26-L30 HydrophobicContact CE1-CD1 3.95Å; F26-L30 HydrophobicContact CE1-CD2 3.94Å; F26-L30 HydrophobicContact CE1-CG 4.05Å; F26-L30 HydrophobicContact CZ-CD2 4.37Å; P27-L30 WeakPolarHBondContact O-CB 3.48Å; P27-L30 PolarHBondContact O-N 3.18Å; P27-L30 VanDerWaalsContact O-N 3.08Å; P28-L30 PolarHBondContact O-N 3.5Å; L30-P32 VanDerWaalsContact C-CD 3.42Å; L30-P32 WeakPolarHBondContact O-CD 3.48Å; L30-Q46 PolarHBondContact O-NE2 2.98Å; L30-L85 HydrophobicContact CD1-CD1 3.23Å; L30-L85 HydrophobicContact CD1-CD2 4.25Å; L30-L85 HydrophobicContact CD1-CG 4.32Å
31I88Confident86.9Confident55 Ų55103 Ų10328%0.28252%0.519SS..SBendtrans-10883-178-53.9163.2000108.3P28 L29 T33 I77P28-I31 PolarHBondContact O-N 3.3Å; L29-I31 PolarHBondContact O-N 3.39Å; I31-T33 PolarHBondContact O-N 3.15Å; I31-I77 HydrophobicContact CD1-CG2 3.39Å; I31-I77 HydrophobicContact CG1-CG2 4.46Å
32P86.8Confident87.2Confident57 Ų57103.2 Ų103.237%0.3752%0.517SS..  trans-68.8134.7179.127.2-33.8000111L30 L42 I43L30-P32 VanDerWaalsContact C-CD 3.42Å; L30-P32 WeakPolarHBondContact O-CD 3.48Å; P32-L42 HydrophobicContact CG-CD2 3.58Å; P32-I43 HydrophobicContact CB-CD1 4.38Å; P32-I43 HydrophobicContact CB-CG1 4.43Å; P32-I43 HydrophobicContact CG-CD1 4.43Å; P32-I43 HydrophobicContact CG-CG1 3.98Å
33T86.9Confident87.4Confident134 Ų13498.1 Ų98.182%0.82249%0.49SS*.  trans-102.6132.9170.260.60000110I31I31-T33 PolarHBondContact O-N 3.15Å
34S87.2Confident87.6Confident38 Ų3898.8 Ų98.827%0.26650%0.497SS..  trans-114.9149.5170.856.20000111.5N39 I43S34-N39 WeakPolarHBondContact CB-OD1 3.26Å; S34-N39 PolarHBondContact OG-ND2 3.29Å; S34-N39 PolarHBondContact OG-OD1 3.25Å; S34-I43 WeakPolarHBondContact OG-CD1 3.22Å
35K85Confident87.8Confident214 Ų214100.5 Ų100.593%0.9351%0.51SS*.  trans-88.8-11.9177.3-62.7-179.3-179.3178.40113.3
36Y86.2Confident88Confident187 Ų18796.9 Ų96.973%0.73349%0.49SS*.SBendtrans-80.6154.9-175.2-61.4-72.4000111.8N39Y36-N39 PolarHBondContact O-ND2 3.04Å; Y36-N39 PolarHBondContact O-OD1 3.41Å
37L78.6Confident88.1Confident178 Ų17897.4 Ų97.493%0.93249%0.493SS*.SBendtrans-73.4-39.5176.7-169.675.7000111.4
38I85.3Confident88.2Confident156 Ų156105.2 Ų105.280%0.852%0.522SS*.SBendtrans-100.7115.5174.5-58.6169.8000107.3
39N89.6Confident88.6Confident28 Ų28106.9 Ų106.915%0.1553%0.527CS..  trans-109166.9-172.5-69.5-27000112.4S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.26Å; S34-N39 PolarHBondContact OG-ND2 3.29Å; S34-N39 PolarHBondContact OG-OD1 3.25Å; Y36-N39 PolarHBondContact O-ND2 3.04Å; Y36-N39 PolarHBondContact O-OD1 3.41Å; N39-I43 HydrophobicContact CB-CB 3.94Å; N39-I43 HydrophobicContact CB-CG2 3.83Å; N39-T44 HydrophobicContact CB-CG2 4.04Å; N39-Q47 PolarHBondContact ND2-NE2 3.32Å
40N90.1Very high88.7Confident115 Ų115103.4 Ų103.462%0.61551%0.508SS*.  trans-62.7152.5171.4-167.12.4000110.6L42 I43 T44N40-L42 PolarHBondContact O-N 3.43Å; N40-L42 VanDerWaalsContact O-N 3.13Å; N40-I43 HydrophobicContact CB-CD1 4.49Å; N40-I43 PolarHBondContact O-N 3.48Å; N40-T44 PolarHBondContact O-N 2.85Å
41R89.7Confident88.9Confident211 Ų211107.1 Ų107.180%0.79652%0.522SS*.Hα-helixtrans-51.8-37.6-178.9-65.2-177.1-179.8-178.60.3113T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.41Å; R41-T44 PolarHBondContact O-N 3.14Å; R41-T44 PolarHBondContact O-OG1 3.13Å; R41-T45 WeakPolarHBondContact O-CG2 3.49Å; R41-T45 PolarHBondContact O-N 3.26Å; R41-T45 PolarHBondContact O-OG1 3.41Å
42L90.1Very high89.1Confident85 Ų85107.7 Ų107.745%0.44553%0.525SS..Hα-helixtrans-66.6-41.2178.1-173.9153.5000111.8P32 N40 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.58Å; N40-L42 PolarHBondContact O-N 3.43Å; N40-L42 VanDerWaalsContact O-N 3.13Å; L42-T45 PolarHBondContact O-OG1 3.44Å; L42-Q46 VanDerWaalsContact CD2-CD 3.43Å; L42-Q46 HydrophobicContact CD2-CG 4.25Å; L42-Q46 VanDerWaalsContact CD2-NE2 3.34Å; L42-Q46 WeakPolarHBondContact O-CB 3.34Å; L42-Q46 VanDerWaalsContact O-CG 3.24Å; L42-Q46 WeakPolarHBondContact O-CG 3.49Å; L42-Q46 PolarHBondContact O-N 2.83Å
43I91.8Very high89.2Confident18 Ų18106.1 Ų106.19%0.09251%0.514CS..Hα-helixtrans-71.5-36.7179.2-60.7174.5000110P32 S34 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.38Å; P32-I43 HydrophobicContact CB-CG1 4.43Å; P32-I43 HydrophobicContact CG-CD1 4.43Å; P32-I43 HydrophobicContact CG-CG1 3.98Å; S34-I43 WeakPolarHBondContact OG-CD1 3.22Å; N39-I43 HydrophobicContact CB-CB 3.94Å; N39-I43 HydrophobicContact CB-CG2 3.83Å; N40-I43 HydrophobicContact CB-CD1 4.49Å; N40-I43 PolarHBondContact O-N 3.48Å; I43-Q46 PolarHBondContact O-N 3.34Å; I43-Q47 HydrophobicContact CG2-CG 4.26Å; I43-Q47 WeakPolarHBondContact O-CB 3.19Å; I43-Q47 VanDerWaalsContact O-CG 3.24Å; I43-Q47 WeakPolarHBondContact O-CG 3.23Å; I43-Q47 PolarHBondContact O-N 2.86Å
44T91.8Very high89.3Confident63 Ų63101.1 Ų101.139%0.38749%0.485SS..Hα-helixtrans-67.5-40.4177.359.80000112N39 N40 R41 Q47 W48N39-T44 HydrophobicContact CB-CG2 4.04Å; N40-T44 PolarHBondContact O-N 2.85Å; R41-T44 WeakPolarHBondContact CA-OG1 3.41Å; R41-T44 PolarHBondContact O-N 3.14Å; R41-T44 PolarHBondContact O-OG1 3.13Å; T44-Q47 PolarHBondContact O-N 2.97Å; T44-W48 WeakPolarHBondContact O-CB 3.34Å; T44-W48 PolarHBondContact O-N 3.48Å
45T91.4Very high89.4Confident84 Ų84107 Ų10752%0.51551%0.506SS..Hα-helixtrans-66.3-40.8174.2570000111.6R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.49Å; R41-T45 PolarHBondContact O-N 3.26Å; R41-T45 PolarHBondContact O-OG1 3.41Å; L42-T45 PolarHBondContact O-OG1 3.44Å; T45-W48 PolarHBondContact O-N 3.37Å; T45-L49 WeakPolarHBondContact O-CB 3.32Å; T45-L49 PolarHBondContact O-N 3.41Å
46Q91.4Very high89.5Confident43 Ų43102.8 Ų102.820%0.20149%0.489CS..Hα-helixtrans-59.9-50173.9-76.7176.9-18.400112L30 L42 I43 W48 L49 I50L30-Q46 PolarHBondContact O-NE2 2.98Å; L42-Q46 VanDerWaalsContact CD2-CD 3.43Å; L42-Q46 HydrophobicContact CD2-CG 4.25Å; L42-Q46 VanDerWaalsContact CD2-NE2 3.34Å; L42-Q46 WeakPolarHBondContact O-CB 3.34Å; L42-Q46 VanDerWaalsContact O-CG 3.24Å; L42-Q46 WeakPolarHBondContact O-CG 3.49Å; L42-Q46 PolarHBondContact O-N 2.83Å; I43-Q46 PolarHBondContact O-N 3.34Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 2.95Å; Q46-L49 PolarHBondContact O-N 3.14Å; Q46-L49 VanDerWaalsContact O-N 3.17Å; Q46-I50 VanDerWaalsContact O-CG1 3.26Å; Q46-I50 WeakPolarHBondContact O-CG1 3.29Å; Q46-I50 PolarHBondContact O-N 3.09Å
47Q90.6Very high89.4Confident100 Ų10094.5 Ų94.547%0.46746%0.457SS..Hα-helixtrans-60.5-39178-74.7175.4-11.700112.1N39 I43 T44 K51N39-Q47 PolarHBondContact ND2-NE2 3.32Å; I43-Q47 HydrophobicContact CG2-CG 4.26Å; I43-Q47 WeakPolarHBondContact O-CB 3.19Å; I43-Q47 VanDerWaalsContact O-CG 3.24Å; I43-Q47 WeakPolarHBondContact O-CG 3.23Å; I43-Q47 PolarHBondContact O-N 2.86Å; T44-Q47 PolarHBondContact O-N 2.97Å; Q47-K51 WeakPolarHBondContact O-CB 3.39Å; Q47-K51 PolarHBondContact O-N 3.11Å
48W92.5Very high89.7Confident167 Ų16787 Ų8763%0.63342%0.417SS*.Hα-helixtrans-63.6-44.1175.2-177.881.8000111.9T44 T45 Q46 K51 L52T44-W48 WeakPolarHBondContact O-CB 3.34Å; T44-W48 PolarHBondContact O-N 3.48Å; T45-W48 PolarHBondContact O-N 3.37Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 2.95Å; W48-K51 PolarHBondContact O-N 3.43Å; W48-L52 HydrophobicContact CD2-CD1 3.72Å; W48-L52 HydrophobicContact CD2-CG 4.37Å; W48-L52 HydrophobicContact CE3-CD1 3.74Å; W48-L52 HydrophobicContact CH2-CD1 3.41Å; W48-L52 VanDerWaalsContact CH2-CD1 3.41Å; W48-L52 HydrophobicContact CZ2-CD1 3.4Å; W48-L52 HydrophobicContact CZ2-CG 4.43Å; W48-L52 HydrophobicContact CZ3-CD1 3.58Å; W48-L52 WeakPolarHBondContact O-CG 3.33Å; W48-L52 PolarHBondContact O-N 3.34Å
49L91.3Very high89.7Confident104 Ų10483.2 Ų83.255%0.54541%0.41SS..Hα-helixtrans-64.8-42.5178.7-141.8160.2000111.6T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CB 3.32Å; T45-L49 PolarHBondContact O-N 3.41Å; Q46-L49 PolarHBondContact O-N 3.14Å; Q46-L49 VanDerWaalsContact O-N 3.17Å; L49-K51 VanDerWaalsContact C-N 3.35Å; L49-K51 PolarHBondContact O-N 3.25Å; L49-L52 PolarHBondContact O-N 3.15Å; L49-T53 HydrophobicContact CD2-CG2 4.01Å; L49-T53 WeakPolarHBondContact O-CG2 3.3Å; L49-T53 PolarHBondContact O-N 3.29Å; L49-T53 PolarHBondContact O-OG1 3.18Å
50I91.6Very high89.1Confident61 Ų6187.9 Ų87.931%0.31343%0.432SS..Hα-helixtrans-62.8-41.4174.9-66.1170.3000111.1Q46 T53 S54 V73 I77Q46-I50 VanDerWaalsContact O-CG1 3.26Å; Q46-I50 WeakPolarHBondContact O-CG1 3.29Å; Q46-I50 PolarHBondContact O-N 3.09Å; I50-T53 WeakPolarHBondContact CA-OG1 3.37Å; I50-T53 PolarHBondContact O-OG1 2.74Å; I50-T53 VanDerWaalsContact O-OG1 3.04Å; I50-S54 VanDerWaalsContact O-CB 3.29Å; I50-S54 WeakPolarHBondContact O-CB 3.34Å; I50-S54 PolarHBondContact O-N 2.84Å; I50-S54 PolarHBondContact O-OG 3.27Å; I50-V73 HydrophobicContact CG2-CG1 3.88Å; I50-I77 HydrophobicContact CD1-CD1 4.03Å; I50-I77 HydrophobicContact CG1-CD1 3.73Å
51K91.3Very high88.6Confident152 Ų15282.8 Ų82.866%0.66141%0.405SS*.Hα-helixtrans-66.3-39.7178.6-172.7176.3-179.1178.50112.1Q47 W48 L49 S54 K55Q47-K51 WeakPolarHBondContact O-CB 3.39Å; Q47-K51 PolarHBondContact O-N 3.11Å; W48-K51 PolarHBondContact O-N 3.43Å; L49-K51 VanDerWaalsContact C-N 3.35Å; L49-K51 PolarHBondContact O-N 3.25Å; K51-S54 WeakPolarHBondContact CA-OG 3.39Å; K51-S54 PolarHBondContact O-OG 3.43Å; K51-S54 VanDerWaalsContact O-OG 3.08Å; K51-K55 VanDerWaalsContact O-CB 3.27Å; K51-K55 WeakPolarHBondContact O-CB 3.37Å; K51-K55 PolarHBondContact O-N 2.94Å; K51-K55 VanDerWaalsContact O-N 3.09Å
52L91.6Very high88.2Confident67 Ų6778.1 Ų78.135%0.35140%0.396SS..Hα-helixtrans-67-50.2177.7-74.8177.3000112.2W48 L49 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.72Å; W48-L52 HydrophobicContact CD2-CG 4.37Å; W48-L52 HydrophobicContact CE3-CD1 3.74Å; W48-L52 HydrophobicContact CH2-CD1 3.41Å; W48-L52 VanDerWaalsContact CH2-CD1 3.41Å; W48-L52 HydrophobicContact CZ2-CD1 3.4Å; W48-L52 HydrophobicContact CZ2-CG 4.43Å; W48-L52 HydrophobicContact CZ3-CD1 3.58Å; W48-L52 WeakPolarHBondContact O-CG 3.33Å; W48-L52 PolarHBondContact O-N 3.34Å; L49-L52 PolarHBondContact O-N 3.15Å; L52-K55 PolarHBondContact O-N 2.96Å; L52-Q56 WeakPolarHBondContact O-CG 3.41Å; L52-Q56 PolarHBondContact O-N 3.19Å
53T88.9Confident87.6Confident24 Ų2479.8 Ų79.815%0.14741%0.409CS..Hα-helixtrans-61.3-48.3-179.448.10000111.2L49 I50 K55 Q56 M57L49-T53 HydrophobicContact CD2-CG2 4.01Å; L49-T53 WeakPolarHBondContact O-CG2 3.3Å; L49-T53 PolarHBondContact O-N 3.29Å; L49-T53 PolarHBondContact O-OG1 3.18Å; I50-T53 WeakPolarHBondContact CA-OG1 3.37Å; I50-T53 PolarHBondContact O-OG1 2.74Å; I50-T53 VanDerWaalsContact O-OG1 3.04Å; T53-K55 VanDerWaalsContact C-N 3.35Å; T53-K55 PolarHBondContact O-N 3.19Å; T53-Q56 PolarHBondContact O-N 2.92Å; T53-M57 WeakPolarHBondContact O-CG 3.22Å; T53-M57 PolarHBondContact O-N 2.94Å
54S89.3Confident87Confident29 Ų2984.8 Ų84.820%0.20343%0.431CS..Hα-helixtrans-60.1-41.8176.158.10000112.6I50 K51 Q56 M58I50-S54 VanDerWaalsContact O-CB 3.29Å; I50-S54 WeakPolarHBondContact O-CB 3.34Å; I50-S54 PolarHBondContact O-N 2.84Å; I50-S54 PolarHBondContact O-OG 3.27Å; K51-S54 WeakPolarHBondContact CA-OG 3.39Å; K51-S54 PolarHBondContact O-OG 3.43Å; K51-S54 VanDerWaalsContact O-OG 3.08Å; S54-Q56 PolarHBondContact O-N 3.46Å; S54-M58 WeakPolarHBondContact O-CB 3.24Å; S54-M58 WeakPolarHBondContact O-CG 3.01Å; S54-M58 PolarHBondContact O-N 3.38Å
55K89.3Confident86.3Confident161 Ų16181.8 Ų81.870%0.741%0.412SS*.Hα-helixtrans-62.7-43.4177.5-173.9-179.5178.6-174.30112.2K51 L52 T53 A59K51-K55 VanDerWaalsContact O-CB 3.27Å; K51-K55 WeakPolarHBondContact O-CB 3.37Å; K51-K55 PolarHBondContact O-N 2.94Å; K51-K55 VanDerWaalsContact O-N 3.09Å; L52-K55 PolarHBondContact O-N 2.96Å; T53-K55 VanDerWaalsContact C-N 3.35Å; T53-K55 PolarHBondContact O-N 3.19Å; K55-A59 PolarHBondContact O-N 3.35Å
56Q86.9Confident85.9Confident125 Ų12584.4 Ų84.458%0.58441%0.413SS*.Hα-helixtrans-68.1-48.2-179.7-73.3178.7-17.700111.7L52 T53 S54 M58 A59L52-Q56 WeakPolarHBondContact O-CG 3.41Å; L52-Q56 PolarHBondContact O-N 3.19Å; T53-Q56 PolarHBondContact O-N 2.92Å; S54-Q56 PolarHBondContact O-N 3.46Å; Q56-M58 PolarHBondContact O-N 3Å; Q56-A59 WeakPolarHBondContact O-CB 3.49Å; Q56-A59 PolarHBondContact O-N 3.34Å
57M84.5Confident85.7Confident14 Ų1487 Ų877%0.06943%0.432CS..Hα-helixtrans-67.1-39.2-178.8-62.6-172.6104.100112.2T53 A59 H61 T215T53-M57 WeakPolarHBondContact O-CG 3.22Å; T53-M57 PolarHBondContact O-N 2.94Å; M57-A59 VanDerWaalsContact C-N 3.3Å; M57-A59 PolarHBondContact O-N 3.37Å; M57-H61 PolarHBondContact O-ND1 3.33Å; M57-T215 VanDerWaalsContact CE-OG1 3.23Å; M57-T215 WeakPolarHBondContact CE-OG1 3.36Å
58M85.1Confident85.5Confident19 Ų1984.6 Ų84.69%0.09442%0.419CS..Hα-helixtrans-79.7-10.9-177.1-64-61.510600113.9S54 Q56 M60 H61 R66 S69 L72S54-M58 WeakPolarHBondContact O-CB 3.24Å; S54-M58 WeakPolarHBondContact O-CG 3.01Å; S54-M58 PolarHBondContact O-N 3.38Å; Q56-M58 PolarHBondContact O-N 3Å; M58-M60 PolarHBondContact O-N 3.3Å; M58-H61 PolarHBondContact O-N 2.88Å; M58-R66 HydrophobicContact CB-CG 4.49Å; M58-R66 HydrophobicContact SD-CB 4.37Å; M58-R66 HydrophobicContact SD-CG 4.06Å; M58-S69 VanDerWaalsContact SD-CB 3.58Å; M58-L72 HydrophobicContact CE-CD1 3.69Å
59A84.6Confident85.2Confident78 Ų7878.3 Ų78.365%0.64540%0.4SS*.THydrogen-bonded Turntrans-62.6-29.9174.500000112.1K55 Q56 M57K55-A59 PolarHBondContact O-N 3.35Å; Q56-A59 WeakPolarHBondContact O-CB 3.49Å; Q56-A59 PolarHBondContact O-N 3.34Å; M57-A59 VanDerWaalsContact C-N 3.3Å; M57-A59 PolarHBondContact O-N 3.37Å
60M76.3Confident85.2Confident126 Ų12680.3 Ų80.362%0.62141%0.411SS*.THydrogen-bonded Turntrans-85.7-7.2-178.3-55.5-177.178.900113.6M58 H223M58-M60 PolarHBondContact O-N 3.3Å; M60-H223 PolarHBondContact O-CE1 2.95Å; M60-H223 PolarHBondContact O-ND1 3.32Å
61H81.6Confident85.2Confident7 Ų780.4 Ų80.43%0.03241%0.41CS..  trans-112.8140-167.6-69.478000113.8M57 M58 R66 S219M57-H61 PolarHBondContact O-ND1 3.33Å; M58-H61 PolarHBondContact O-N 2.88Å; H61-R66 HydrophobicContact CB-CG 4.45Å; H61-R66 PolarHBondContact O-NE 3.07Å; H61-S219 PolarHBondContact NE2-O 3.47Å
62N79.3Confident85.1Confident114 Ų11473.2 Ų73.261%0.6138%0.379SS*.  trans-70.6170.4168.9-87-19.3000112.5K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.28Å; N62-K64 PolarHBondContact O-N 3.16Å; N62-G65 PolarHBondContact O-N 3.37Å; N62-R66 PolarHBondContact O-N 3.17Å
63T79.4Confident85.1Confident119 Ų11970.7 Ų70.773%0.7337%0.367SS*.THydrogen-bonded Turntrans-53.8-38.1-175.853.20000114
64K78.1Confident85.3Confident124 Ų12472.6 Ų72.654%0.53938%0.381SS..THydrogen-bonded Turntrans-67.4-44.8174.9-69.4-176.6-178.6177.20112.2N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.28Å; N62-K64 PolarHBondContact O-N 3.16Å; K64-R66 VanDerWaalsContact C-N 3.27Å; K64-R66 PolarHBondContact O-N 2.64Å; K64-T67 WeakPolarHBondContact O-CB 3.18Å; K64-T67 PolarHBondContact O-N 3.21Å; K64-T67 PolarHBondContact O-OG1 3.18Å
65G77.8Confident85.3Confident0 Ų072 Ų720%038%0.375CS..G310 helixtrans-64.2-31.1177.300000113.1N62 T67 W68N62-G65 PolarHBondContact O-N 3.37Å; G65-T67 PolarHBondContact O-N 3.03Å; G65-T67 VanDerWaalsContact O-N 3.15Å; G65-W68 WeakPolarHBondContact O-CB 3.17Å; G65-W68 PolarHBondContact O-N 3.31Å
66R83.1Confident85.4Confident138 Ų13865.3 Ų65.352%0.52135%0.347SS..G310 helixtrans-62.4-20.1175.7-72.2-178.1-176.5-175.50.9114.2M58 H61 N62 K64 W68 S69M58-R66 HydrophobicContact CB-CG 4.49Å; M58-R66 HydrophobicContact SD-CB 4.37Å; M58-R66 HydrophobicContact SD-CG 4.06Å; H61-R66 HydrophobicContact CB-CG 4.45Å; H61-R66 PolarHBondContact O-NE 3.07Å; N62-R66 PolarHBondContact O-N 3.17Å; K64-R66 VanDerWaalsContact C-N 3.27Å; K64-R66 PolarHBondContact O-N 2.64Å; R66-W68 PolarHBondContact O-N 2.8Å; R66-S69 WeakPolarHBondContact O-CB 3.44Å; R66-S69 PolarHBondContact O-N 3.13Å; R66-S69 VanDerWaalsContact O-N 3.12Å
67T86Confident85.6Confident99 Ų9961.3 Ų61.361%0.60733%0.329SS*.G310 helixtrans-63.9-25.5173.961.80000112.5K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.18Å; K64-T67 PolarHBondContact O-N 3.21Å; K64-T67 PolarHBondContact O-OG1 3.18Å; G65-T67 PolarHBondContact O-N 3.03Å; G65-T67 VanDerWaalsContact O-N 3.15Å; T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 3Å
68W86.8Confident85.9Confident49 Ų4963 Ų6319%0.18634%0.336CS..G310 helixtrans-860.8177.4-73.655000113.5G65 R66 L70 M71 L72 M115 L222G65-W68 WeakPolarHBondContact O-CB 3.17Å; G65-W68 PolarHBondContact O-N 3.31Å; R66-W68 PolarHBondContact O-N 2.8Å; W68-L70 VanDerWaalsContact C-N 3.29Å; W68-L70 PolarHBondContact O-N 3.35Å; W68-M71 HydrophobicContact CD2-CE 4.03Å; W68-M71 HydrophobicContact CE3-CE 3.07Å; W68-M71 HydrophobicContact CH2-CE 4.01Å; W68-M71 HydrophobicContact CZ3-CE 3.07Å; W68-M71 HydrophobicContact CZ3-SD 4.42Å; W68-M71 PolarHBondContact O-N 3.14Å; W68-L72 PolarHBondContact O-N 3.4Å; W68-M115 HydrophobicContact CZ2-SD 3.94Å; W68-M115 PolarHBondContact NE1-SD 2.95Å; W68-L222 HydrophobicContact CB-CD2 3.48Å; W68-L222 VanDerWaalsContact CB-CD2 3.48Å; W68-L222 HydrophobicContact CD2-CD1 3.69Å; W68-L222 HydrophobicContact CD2-CD2 4.09Å; W68-L222 HydrophobicContact CE3-CD1 3.81Å; W68-L222 HydrophobicContact CE3-CD2 4.34Å; W68-L222 HydrophobicContact CG-CD1 4Å; W68-L222 HydrophobicContact CG-CD2 3.65Å; W68-L222 HydrophobicContact CZ3-CD1 4.33Å
69S87.4Confident86.2Confident35 Ų3562.2 Ų62.225%0.24533%0.332CS..Hα-helixtrans-47.2-50.8178168.20000112.4M58 R66 T67 M71 L72 V73M58-S69 VanDerWaalsContact SD-CB 3.58Å; R66-S69 WeakPolarHBondContact O-CB 3.44Å; R66-S69 PolarHBondContact O-N 3.13Å; R66-S69 VanDerWaalsContact O-N 3.12Å; T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 3Å; S69-M71 VanDerWaalsContact C-N 3.28Å; S69-M71 PolarHBondContact O-N 2.77Å; S69-L72 PolarHBondContact O-N 3.35Å; S69-V73 WeakPolarHBondContact O-CB 3.47Å; S69-V73 VanDerWaalsContact O-CG2 3.25Å; S69-V73 WeakPolarHBondContact O-CG2 3.25Å; S69-V73 PolarHBondContact O-N 3.19Å
70L90.8Very high86.5Confident146 Ų14659.9 Ų59.976%0.76431%0.313SS*.Hα-helixtrans-59.5-41.7-177.9-169.689000111.6W68 S74W68-L70 VanDerWaalsContact C-N 3.29Å; W68-L70 PolarHBondContact O-N 3.35Å; L70-S74 WeakPolarHBondContact O-CB 3.41Å; L70-S74 PolarHBondContact O-N 3.12Å; L70-S74 PolarHBondContact O-OG 2.92Å
71M91Very high87.2Confident63 Ų6355.4 Ų55.431%0.3129%0.293SS..Hα-helixtrans-70.9-43.2-177.8-164.6176.568.800111.4W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 4.03Å; W68-M71 HydrophobicContact CE3-CE 3.07Å; W68-M71 HydrophobicContact CH2-CE 4.01Å; W68-M71 HydrophobicContact CZ3-CE 3.07Å; W68-M71 HydrophobicContact CZ3-SD 4.42Å; W68-M71 PolarHBondContact O-N 3.14Å; S69-M71 VanDerWaalsContact C-N 3.28Å; S69-M71 PolarHBondContact O-N 2.77Å; M71-V73 PolarHBondContact O-N 3.11Å; M71-S74 WeakPolarHBondContact CA-OG 3.48Å; M71-S74 PolarHBondContact O-N 3.11Å; M71-S74 PolarHBondContact O-OG 3.22Å; M71-L75 WeakPolarHBondContact O-CB 3.5Å; M71-L75 PolarHBondContact O-N 2.99Å; M71-L108 HydrophobicContact CE-CD2 3.23Å; M71-L108 HydrophobicContact CG-CD2 4.14Å; M71-L108 HydrophobicContact SD-CD2 3.52Å; M71-L108 VanDerWaalsContact SD-CD2 3.52Å
72L90.4Very high87.6Confident1 Ų155.4 Ų55.41%0.00529%0.293CS..Hα-helixtrans-64.2-40.6177.7-69170000112.1M58 W68 S69 L75 I76 V218M58-L72 HydrophobicContact CE-CD1 3.69Å; W68-L72 PolarHBondContact O-N 3.4Å; S69-L72 PolarHBondContact O-N 3.35Å; L72-L75 PolarHBondContact O-N 3.41Å; L72-I76 PolarHBondContact O-N 2.91Å; L72-V218 HydrophobicContact CD2-CB 4.2Å; L72-V218 HydrophobicContact CD2-CG1 3.84Å
73V91.5Very high88.2Confident14 Ų1450 Ų509%0.08527%0.265CS..Hα-helixtrans-69.8-42178.61730000111.5I50 S69 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.88Å; S69-V73 WeakPolarHBondContact O-CB 3.47Å; S69-V73 VanDerWaalsContact O-CG2 3.25Å; S69-V73 WeakPolarHBondContact O-CG2 3.25Å; S69-V73 PolarHBondContact O-N 3.19Å; M71-V73 PolarHBondContact O-N 3.11Å; V73-L75 VanDerWaalsContact C-N 3.33Å; V73-L75 PolarHBondContact O-N 2.96Å; V73-I76 VanDerWaalsContact O-CG2 3.28Å; V73-I76 WeakPolarHBondContact O-CG2 3.33Å; V73-I77 HydrophobicContact CG1-CD1 3.81Å; V73-I77 VanDerWaalsContact O-CD1 3.27Å; V73-I77 WeakPolarHBondContact O-CD1 3.43Å; V73-I77 WeakPolarHBondContact O-CG1 3.32Å; V73-I77 PolarHBondContact O-N 3.14Å
74S91.5Very high88.6Confident64 Ų6449 Ų4945%0.44825%0.254SS..Hα-helixtrans-65.4-38.5175.652.30000111.9L70 M71 I77 F78L70-S74 WeakPolarHBondContact O-CB 3.41Å; L70-S74 PolarHBondContact O-N 3.12Å; L70-S74 PolarHBondContact O-OG 2.92Å; M71-S74 WeakPolarHBondContact CA-OG 3.48Å; M71-S74 PolarHBondContact O-N 3.11Å; M71-S74 PolarHBondContact O-OG 3.22Å; S74-I77 PolarHBondContact O-N 3.22Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.48Å; S74-F78 PolarHBondContact O-N 3.38Å
75L90.4Very high89.2Confident17 Ų1745 Ų459%0.08924%0.239CC..Hα-helixtrans-62.1-48.6177.3-17580.5000112.7M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 WeakPolarHBondContact O-CB 3.5Å; M71-L75 PolarHBondContact O-N 2.99Å; L72-L75 PolarHBondContact O-N 3.41Å; V73-L75 VanDerWaalsContact C-N 3.33Å; V73-L75 PolarHBondContact O-N 2.96Å; L75-I77 VanDerWaalsContact C-N 3.31Å; L75-I77 PolarHBondContact O-N 3.13Å; L75-F78 PolarHBondContact O-N 2.86Å; L75-I79 HydrophobicContact CD1-CD1 4.07Å; L75-I79 HydrophobicContact CG-CD1 3.89Å; L75-I79 WeakPolarHBondContact O-CG1 3.43Å; L75-I79 PolarHBondContact O-N 2.78Å; L75-L108 HydrophobicContact CD1-CD1 3.4Å; L75-L108 VanDerWaalsContact CD1-CD1 3.4Å; L75-L108 HydrophobicContact CD2-CD1 3.82Å; L75-L108 HydrophobicContact CG-CD1 4.26Å; L75-F214 HydrophobicContact CD1-CE1 4.12Å; L75-F214 HydrophobicContact CD2-CD1 3.83Å; L75-F214 HydrophobicContact CD2-CE1 3.76Å; L75-F214 HydrophobicContact CG-CD1 4.33Å; L75-F214 HydrophobicContact CG-CE1 4.21Å; L75-T215 HydrophobicContact CB-CG2 4.2Å; L75-T215 HydrophobicContact CD2-CG2 3.53Å; L75-T215 HydrophobicContact CG-CG2 3.83Å
76I91.4Very high89.6Confident19 Ų1945.1 Ų45.110%0.09724%0.239CC..Hα-helixtrans-63.9-40.8-178.8-166.4172.7000111L72 V73 A80 A211 Y212 T215L72-I76 PolarHBondContact O-N 2.91Å; V73-I76 VanDerWaalsContact O-CG2 3.28Å; V73-I76 WeakPolarHBondContact O-CG2 3.33Å; I76-A80 WeakPolarHBondContact O-CB 3.02Å; I76-A80 PolarHBondContact O-N 3.4Å; I76-A211 HydrophobicContact CG1-CB 4.47Å; I76-Y212 HydrophobicContact CD1-CD2 4.23Å; I76-T215 VanDerWaalsContact CA-CG2 3.47Å; I76-T215 HydrophobicContact CB-CG2 3.48Å; I76-T215 VanDerWaalsContact CB-CG2 3.48Å; I76-T215 HydrophobicContact CG1-CG2 4Å
77I91.6Very high89.8Confident42 Ų4240.5 Ų40.522%0.21522%0.224CC..Hα-helixtrans-66.9-42.9178.4-63.7165.1000110.4I31 I50 V73 S74 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.39Å; I31-I77 HydrophobicContact CG1-CG2 4.46Å; I50-I77 HydrophobicContact CD1-CD1 4.03Å; I50-I77 HydrophobicContact CG1-CD1 3.73Å; V73-I77 HydrophobicContact CG1-CD1 3.81Å; V73-I77 VanDerWaalsContact O-CD1 3.27Å; V73-I77 WeakPolarHBondContact O-CD1 3.43Å; V73-I77 WeakPolarHBondContact O-CG1 3.32Å; V73-I77 PolarHBondContact O-N 3.14Å; S74-I77 PolarHBondContact O-N 3.22Å; L75-I77 VanDerWaalsContact C-N 3.31Å; L75-I77 PolarHBondContact O-N 3.13Å; I77-T81 HydrophobicContact CG2-CG2 4.29Å; I77-T81 WeakPolarHBondContact O-CB 3.48Å; I77-T81 VanDerWaalsContact O-CG2 3.25Å; I77-T81 WeakPolarHBondContact O-CG2 3.19Å; I77-T81 PolarHBondContact O-N 3.32Å; I77-T81 PolarHBondContact O-OG1 3.43Å
78F90.9Very high89.9Confident49 Ų4940.3 Ų40.322%0.21522%0.219CC..Hα-helixtrans-60.5-53.3178.2-180-103.9000111.6I24 S74 L75 A80 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.31Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.48Å; S74-F78 PolarHBondContact O-N 3.38Å; L75-F78 PolarHBondContact O-N 2.86Å; F78-A80 PolarHBondContact O-N 3.26Å; F78-T81 PolarHBondContact O-N 3.05Å; F78-T81 PolarHBondContact O-OG1 3.49Å; F78-T82 HydrophobicContact CD2-CG2 4.36Å; F78-T82 HydrophobicContact CE1-CG2 4.18Å; F78-T82 HydrophobicContact CE2-CG2 3.97Å; F78-T82 HydrophobicContact CZ-CG2 3.88Å; F78-T82 WeakPolarHBondContact O-CG2 3.21Å; F78-T82 PolarHBondContact O-N 3.1Å; F78-T82 PolarHBondContact O-OG1 3.12Å; F78-T82 VanDerWaalsContact O-OG1 3.09Å; F78-M100 HydrophobicContact CE1-CE 3.92Å; F78-M100 HydrophobicContact CZ-CE 3.9Å; F78-M104 HydrophobicContact CD1-SD 3.89Å; F78-M104 HydrophobicContact CE1-CE 4.12Å; F78-M104 HydrophobicContact CE1-SD 3.58Å; F78-M104 VanDerWaalsContact CE1-SD 3.58Å
79I90.8Very high89.7Confident2 Ų243.3 Ų43.31%0.0125%0.245CC..Hα-helixtrans-65.2-42.2-177.9-61.5170.1000111.1L75 T81 T82 N83 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 4.07Å; L75-I79 HydrophobicContact CG-CD1 3.89Å; L75-I79 WeakPolarHBondContact O-CG1 3.43Å; L75-I79 PolarHBondContact O-N 2.78Å; I79-T81 PolarHBondContact O-N 3.43Å; I79-T82 WeakPolarHBondContact CA-OG1 3.26Å; I79-T82 PolarHBondContact O-OG1 3.26Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.37Å; I79-N83 WeakPolarHBondContact O-CB 3.42Å; I79-N83 PolarHBondContact O-N 3.04Å; I79-N83 PolarHBondContact O-ND2 3.05Å; I79-N83 PolarHBondContact O-OD1 3.3Å; I79-L160 HydrophobicContact CG2-CD1 3.62Å; I79-A211 HydrophobicContact CB-CB 4.07Å; I79-A211 HydrophobicContact CG2-CB 3.75Å; I79-F214 HydrophobicContact CD1-CB 4.26Å; I79-F214 HydrophobicContact CD1-CD1 3.37Å; I79-F214 HydrophobicContact CD1-CD2 4.34Å; I79-F214 HydrophobicContact CD1-CE1 3.72Å; I79-F214 HydrophobicContact CD1-CG 3.74Å; I79-F214 HydrophobicContact CD1-CZ 4.34Å
80A90.4Very high89.5Confident29 Ų2951.4 Ų51.424%0.2428%0.279CS..Hα-helixtrans-63-43.6179.100000111.6I76 F78 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.02Å; I76-A80 PolarHBondContact O-N 3.4Å; F78-A80 PolarHBondContact O-N 3.26Å; A80-L84 VanDerWaalsContact O-CB 3.25Å; A80-L84 WeakPolarHBondContact O-CB 3.46Å; A80-L84 PolarHBondContact O-N 3.15Å; A80-A211 HydrophobicContact CB-CB 3.91Å
81T90.9Very high89.1Confident33 Ų3346.1 Ų46.120%0.20225%0.254CS..Hα-helixtrans-70-41.3179.652.70000112.3P27 I77 F78 I79 N83 L85P27-T81 WeakPolarHBondContact CB-OG1 3.25Å; I77-T81 HydrophobicContact CG2-CG2 4.29Å; I77-T81 WeakPolarHBondContact O-CB 3.48Å; I77-T81 VanDerWaalsContact O-CG2 3.25Å; I77-T81 WeakPolarHBondContact O-CG2 3.19Å; I77-T81 PolarHBondContact O-N 3.32Å; I77-T81 PolarHBondContact O-OG1 3.43Å; F78-T81 PolarHBondContact O-N 3.05Å; F78-T81 PolarHBondContact O-OG1 3.49Å; I79-T81 PolarHBondContact O-N 3.43Å; T81-N83 PolarHBondContact O-N 2.88Å; T81-L85 WeakPolarHBondContact O-CB 3.45Å; T81-L85 PolarHBondContact O-N 3.31Å
82T90.5Very high88.8Confident6 Ų644.5 Ų44.54%0.03725%0.245CC..Hα-helixtrans-63.6-41.2176520000112.4P27 F78 I79 G86 T95P27-T82 HydrophobicContact CB-CG2 4.29Å; P27-T82 HydrophobicContact CG-CG2 3.54Å; F78-T82 HydrophobicContact CD2-CG2 4.36Å; F78-T82 HydrophobicContact CE1-CG2 4.18Å; F78-T82 HydrophobicContact CE2-CG2 3.97Å; F78-T82 HydrophobicContact CZ-CG2 3.88Å; F78-T82 WeakPolarHBondContact O-CG2 3.21Å; F78-T82 PolarHBondContact O-N 3.1Å; F78-T82 PolarHBondContact O-OG1 3.12Å; F78-T82 VanDerWaalsContact O-OG1 3.09Å; I79-T82 WeakPolarHBondContact CA-OG1 3.26Å; I79-T82 PolarHBondContact O-OG1 3.26Å; T82-G86 PolarHBondContact O-N 3.49Å; T82-G86 VanDerWaalsContact O-N 3.09Å; T82-T95 WeakPolarHBondContact OG1-CG2 3.39Å
83N90.7Very high88.5Confident2 Ų244.6 Ų44.61%0.01125%0.246CC..Hα-helixtrans-71.2-41-178.8-67.7-9.1000111.2I79 T81 G86 L87 T95 I164 A207I79-N83 WeakPolarHBondContact CG2-ND2 3.37Å; I79-N83 WeakPolarHBondContact O-CB 3.42Å; I79-N83 PolarHBondContact O-N 3.04Å; I79-N83 PolarHBondContact O-ND2 3.05Å; I79-N83 PolarHBondContact O-OD1 3.3Å; T81-N83 PolarHBondContact O-N 2.88Å; N83-G86 WeakPolarHBondContact O-CA 3.08Å; N83-G86 PolarHBondContact O-N 3.38Å; N83-G86 VanDerWaalsContact O-N 3.13Å; N83-L87 PolarHBondContact O-N 3.13Å; N83-T95 WeakPolarHBondContact OD1-CB 3.43Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.42Å; N83-T95 PolarHBondContact OD1-OG1 3Å; N83-I164 HydrophobicContact CB-CD1 4.31Å; N83-I164 VanDerWaalsContact CG-CD1 3.44Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.27Å; N83-A207 HydrophobicContact CB-CB 3.93Å
84L89.6Confident88Confident96 Ų9644.4 Ų44.450%0.50325%0.245SC..Hα-helixtrans-70.5-37.8179.9-165.9134.8000112.2A80 G86 L87A80-L84 VanDerWaalsContact O-CB 3.25Å; A80-L84 WeakPolarHBondContact O-CB 3.46Å; A80-L84 PolarHBondContact O-N 3.15Å; L84-G86 PolarHBondContact O-N 3.36Å; L84-L87 PolarHBondContact O-N 2.89Å
85L89.9Confident87.7Confident42 Ų4241.4 Ų41.422%0.2222%0.224CC..Hα-helixtrans-60.6-33.9169.4-110.885000112.2F26 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD2 3.34Å; F26-L85 HydrophobicContact CE1-CD2 3.63Å; F26-L85 HydrophobicContact CG-CD2 4.48Å; L30-L85 HydrophobicContact CD1-CD1 3.23Å; L30-L85 HydrophobicContact CD1-CD2 4.25Å; L30-L85 HydrophobicContact CD1-CG 4.32Å; T81-L85 WeakPolarHBondContact O-CB 3.45Å; T81-L85 PolarHBondContact O-N 3.31Å; L85-L87 PolarHBondContact O-N 3.42Å; L85-L88 HydrophobicContact CG-CD1 4.23Å; L85-L88 VanDerWaalsContact O-CB 3.24Å; L85-L88 WeakPolarHBondContact O-CB 3.3Å; L85-L88 VanDerWaalsContact O-CG 3.28Å; L85-L88 WeakPolarHBondContact O-CG 3.19Å; L85-L88 PolarHBondContact O-N 3.29Å; L85-L88 VanDerWaalsContact O-N 3.12Å; L85-S91 PolarHBondContact O-OG 3.14Å
86G85.9Confident87.5Confident1 Ų141.1 Ų41.11%0.0122%0.223CC..Hα-helixtrans-59-31.9179.800000116T82 N83 L84 L88 S91 H168T82-G86 PolarHBondContact O-N 3.49Å; T82-G86 VanDerWaalsContact O-N 3.09Å; N83-G86 WeakPolarHBondContact O-CA 3.08Å; N83-G86 PolarHBondContact O-N 3.38Å; N83-G86 VanDerWaalsContact O-N 3.13Å; L84-G86 PolarHBondContact O-N 3.36Å; G86-L88 PolarHBondContact O-N 3.22Å; G86-S91 VanDerWaalsContact C-OG 3.29Å; G86-S91 WeakPolarHBondContact CA-OG 3.04Å; G86-S91 PolarHBondContact O-OG 3.38Å; G86-H168 PolarHBondContact O-CE1 2.84Å; G86-H168 PolarHBondContact O-NE2 2.95Å; G86-H168 VanDerWaalsContact O-NE2 3.12Å
87L86.9Confident87.4Confident41 Ų4143.3 Ų43.322%0.21523%0.233CC..THydrogen-bonded Turntrans-75.7-5.9-179.8-59.5175.6000112.7N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 3.13Å; L84-L87 PolarHBondContact O-N 2.89Å; L85-L87 PolarHBondContact O-N 3.42Å; L87-M171 HydrophobicContact CD2-CE 4Å; L87-E203 HydrophobicContact CD1-CG 4.43Å; L87-E203 HydrophobicContact CD2-CB 4.18Å; L87-E203 HydrophobicContact CD2-CG 3.4Å; L87-I204 HydrophobicContact CD1-CB 4.2Å; L87-I204 HydrophobicContact CD1-CG1 3.61Å; L87-A207 HydrophobicContact CD1-CB 4.12Å
88L87.6Confident87.1Confident96 Ų9644.5 Ų44.550%0.50324%0.239SC..SBendtrans-67.1142.7174-65.2173.4000110.6L85 G86 H90 S91L85-L88 HydrophobicContact CG-CD1 4.23Å; L85-L88 VanDerWaalsContact O-CB 3.24Å; L85-L88 WeakPolarHBondContact O-CB 3.3Å; L85-L88 VanDerWaalsContact O-CG 3.28Å; L85-L88 WeakPolarHBondContact O-CG 3.19Å; L85-L88 PolarHBondContact O-N 3.29Å; L85-L88 VanDerWaalsContact O-N 3.12Å; G86-L88 PolarHBondContact O-N 3.22Å; L88-H90 PolarHBondContact O-N 3.29Å; L88-S91 WeakPolarHBondContact O-CB 3.5Å; L88-S91 PolarHBondContact O-N 3.39Å; L88-S91 VanDerWaalsContact O-N 3.15Å; L88-S91 PolarHBondContact O-OG 3.42Å
89P82.8Confident86.9Confident112 Ų11246.2 Ų46.273%0.72726%0.257SS*.THydrogen-bonded Turntrans-58.9135-179.325-34000110.7S91P89-S91 PolarHBondContact O-N 2.93Å; P89-S91 VanDerWaalsContact O-N 3.09Å
90H82.9Confident86.7Confident204 Ų20448 Ų4894%0.94427%0.266SS*.THydrogen-bonded Turntrans57.415.9-178.5-57.1-65.7000116L88L88-H90 PolarHBondContact O-N 3.29Å
91S84.3Confident86.6Confident35 Ų3546.7 Ų46.725%0.24526%0.255CS..  trans-80141.9172.473.50000111.1L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 3.14Å; G86-S91 VanDerWaalsContact C-OG 3.29Å; G86-S91 WeakPolarHBondContact CA-OG 3.04Å; G86-S91 PolarHBondContact O-OG 3.38Å; L88-S91 WeakPolarHBondContact O-CB 3.5Å; L88-S91 PolarHBondContact O-N 3.39Å; L88-S91 VanDerWaalsContact O-N 3.15Å; L88-S91 PolarHBondContact O-OG 3.42Å; P89-S91 PolarHBondContact O-N 2.93Å; P89-S91 VanDerWaalsContact O-N 3.09Å
92F82.8Confident86.4Confident29 Ų2947.3 Ų47.313%0.12726%0.257CS..  trans-89.3122.6171.6171.5-94.3000109.2S8 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.4Å; P12-F92 HydrophobicContact CG-CB 4.41Å; P12-F92 HydrophobicContact CG-CD1 4.15Å; P12-F92 HydrophobicContact CG-CG 4.11Å; A20-F92 HydrophobicContact CB-CE1 4.4Å; I23-F92 HydrophobicContact CD1-CB 4.04Å; I23-F92 HydrophobicContact CD1-CD1 3.84Å; I23-F92 HydrophobicContact CD1-CG 4.32Å; I23-F92 HydrophobicContact CG2-CD1 4.44Å; I23-F92 WeakPolarHBondContact CG2-O 3.44Å; F92-P94 HydrophobicContact CE1-CB 4.46Å; F92-P94 WeakPolarHBondContact O-CD 3.17Å; F92-Q97 HydrophobicContact CZ-CG 4.17Å
93T84.1Confident86.3Confident4 Ų450.1 Ų50.13%0.02528%0.28CS..  trans-91.1111.9177.429.50000111.1T95 T96 I164T93-T95 PolarHBondContact O-N 3.06Å; T93-T95 VanDerWaalsContact O-N 3.17Å; T93-T96 PolarHBondContact O-N 3.44Å; T93-T96 PolarHBondContact O-OG1 3.49Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.45Å; T93-I164 HydrophobicContact CG2-CG2 4.29Å
94P82.7Confident86Confident10 Ų1051.3 Ų51.37%0.06529%0.286CS..G310 helixtrans-63.5-23.8176.526.1-33.5000112.5I24 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.25Å; I24-P94 HydrophobicContact CG1-CB 3.68Å; I24-P94 HydrophobicContact CG1-CG 4.05Å; F92-P94 HydrophobicContact CE1-CB 4.46Å; F92-P94 WeakPolarHBondContact O-CD 3.17Å; P94-T96 VanDerWaalsContact C-N 3.28Å; P94-T96 PolarHBondContact O-N 3.24Å; P94-Q97 PolarHBondContact O-N 2.94Å; P94-M100 WeakPolarHBondContact O-CB 3.36Å
95T85.1Confident85.9Confident1 Ų146.8 Ų46.81%0.00626%0.263CS..G310 helixtrans-76.2-8.1179.950.40000114.7T82 N83 T93 Q97 N101 L160 I164T82-T95 WeakPolarHBondContact OG1-CG2 3.39Å; N83-T95 WeakPolarHBondContact OD1-CB 3.43Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.42Å; N83-T95 PolarHBondContact OD1-OG1 3Å; T93-T95 PolarHBondContact O-N 3.06Å; T93-T95 VanDerWaalsContact O-N 3.17Å; T95-Q97 VanDerWaalsContact C-N 3.31Å; T95-N101 PolarHBondContact O-ND2 2.89Å; T95-L160 HydrophobicContact CG2-CD2 3.97Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.32Å
96T85.4Confident85.7Confident10 Ų1048.7 Ų48.76%0.06127%0.273CS..G310 helixtrans-74-26.9169.655.90000112.3F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.86Å; F9-T96 HydrophobicContact CE1-CG2 3.74Å; T93-T96 PolarHBondContact O-N 3.44Å; T93-T96 PolarHBondContact O-OG1 3.49Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.45Å; P94-T96 VanDerWaalsContact C-N 3.28Å; P94-T96 PolarHBondContact O-N 3.24Å; T96-L98 PolarHBondContact O-N 2.96Å; T96-T161 WeakPolarHBondContact O-CG2 3.06Å; T96-I164 HydrophobicContact CG2-CB 4.33Å; T96-I164 HydrophobicContact CG2-CG2 3.62Å; T96-T165 HydrophobicContact CG2-CG2 3.78Å
97Q88.5Confident85.9Confident66 Ų6652.5 Ų52.531%0.30830%0.297SS..SBendtrans-78.2120.1178.2-64.9-62.2-3100109.7F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 3.01Å; F92-Q97 HydrophobicContact CZ-CG 4.17Å; P94-Q97 PolarHBondContact O-N 2.94Å; T95-Q97 VanDerWaalsContact C-N 3.31Å; Q97-S99 PolarHBondContact O-N 2.98Å; Q97-M100 PolarHBondContact O-N 2.85Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; Q97-N101 PolarHBondContact O-N 3.08Å
98L86.3Confident85.9Confident67 Ų6751.3 Ų51.335%0.35129%0.291SS..Hα-helixtrans-57.6-33.3178.6-177.363.9000112.3T96 M100 N101 L102 M154 A157 V158 T161T96-L98 PolarHBondContact O-N 2.96Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 3.33Å; L98-N101 PolarHBondContact O-N 2.94Å; L98-L102 VanDerWaalsContact O-CB 3.24Å; L98-L102 WeakPolarHBondContact O-CB 3.26Å; L98-L102 PolarHBondContact O-N 3.32Å; L98-M154 HydrophobicContact CD2-CE 4.09Å; L98-A157 HydrophobicContact CD1-CB 4.35Å; L98-V158 HydrophobicContact CD1-CG2 3.91Å; L98-T161 VanDerWaalsContact CA-CG2 3.44Å; L98-T161 HydrophobicContact CB-CG2 4.01Å; L98-T161 HydrophobicContact CD1-CG2 3.99Å
99S87.4Confident85.8Confident84 Ų8448.6 Ų48.659%0.58727%0.274SS*.Hα-helixtrans-56.5-43.5176.655.60000112.5Q97 A103Q97-S99 PolarHBondContact O-N 2.98Å; S99-A103 WeakPolarHBondContact O-CB 3.46Å; S99-A103 PolarHBondContact O-N 3.19Å
100M86.9Confident85.9Confident40 Ų4044.5 Ų44.520%0.19725%0.25CC..Hα-helixtrans-67.6-46.5-179.1-176.261.6-171.700111.2I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-SD 4.28Å; I24-M100 HydrophobicContact CG2-CE 4.28Å; F78-M100 HydrophobicContact CE1-CE 3.92Å; F78-M100 HydrophobicContact CZ-CE 3.9Å; P94-M100 WeakPolarHBondContact O-CB 3.36Å; Q97-M100 PolarHBondContact O-N 2.85Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 3.33Å; M100-L102 VanDerWaalsContact C-N 3.33Å; M100-L102 PolarHBondContact O-N 3.28Å; M100-A103 PolarHBondContact O-N 3.19Å; M100-M104 HydrophobicContact CE-CE 3.75Å; M100-M104 HydrophobicContact CE-CG 4.3Å; M100-M104 HydrophobicContact CE-SD 4.11Å; M100-M104 HydrophobicContact CG-CE 3.64Å; M100-M104 PolarHBondContact O-N 3.09Å; M100-M104 HydrophobicContact SD-CE 4.37Å
101N87.6Confident86Confident1 Ų135.9 Ų35.91%0.00522%0.216CC..Hα-helixtrans-67.2-37.4-179.2-66.1-10.9000111.8T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 2.89Å; Q97-N101 PolarHBondContact O-N 3.08Å; L98-N101 PolarHBondContact O-N 2.94Å; N101-M104 PolarHBondContact O-N 3.21Å; N101-A105 VanDerWaalsContact O-CB 3.3Å; N101-A105 WeakPolarHBondContact O-CB 3.5Å; N101-A105 PolarHBondContact O-N 3.46Å; N101-A157 HydrophobicContact CB-CB 3.91Å; N101-A157 PolarHBondContact ND2-O 3.22Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.44Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.45Å; N101-T161 HydrophobicContact CB-CG2 4.36Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.37Å; N101-T161 PolarHBondContact ND2-N 2.92Å
102L85.6Confident85.9Confident46 Ų4634.2 Ų34.224%0.24120%0.204CC..Hα-helixtrans-69.5-39.2177-164.465.3000111.5L98 M100 M104 A105 I106 M154 A157L98-L102 VanDerWaalsContact O-CB 3.24Å; L98-L102 WeakPolarHBondContact O-CB 3.26Å; L98-L102 PolarHBondContact O-N 3.32Å; M100-L102 VanDerWaalsContact C-N 3.33Å; M100-L102 PolarHBondContact O-N 3.28Å; L102-M104 PolarHBondContact O-N 3.31Å; L102-A105 PolarHBondContact O-N 3.34Å; L102-I106 HydrophobicContact CD1-CD1 3.7Å; L102-I106 HydrophobicContact CD1-CG1 3.8Å; L102-I106 HydrophobicContact CD2-CD1 4.02Å; L102-I106 HydrophobicContact CG-CD1 3.5Å; L102-I106 VanDerWaalsContact CG-CD1 3.5Å; L102-I106 HydrophobicContact CG-CG1 3.98Å; L102-I106 WeakPolarHBondContact O-CG1 3.35Å; L102-I106 PolarHBondContact O-N 3.47Å; L102-M154 HydrophobicContact CD1-SD 3.47Å; L102-M154 WeakPolarHBondContact CD1-SD 3.13Å; L102-M154 HydrophobicContact CD2-SD 4.28Å; L102-A157 HydrophobicContact CD1-CB 4.2Å
103A88.5Confident85.9Confident65 Ų6533.5 Ų33.554%0.53720%0.202SC..Hα-helixtrans-62.8-29.3173.800000112.8S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.46Å; S99-A103 PolarHBondContact O-N 3.19Å; M100-A103 PolarHBondContact O-N 3.19Å; A103-P107 WeakPolarHBondContact O-CD 3.28Å; A103-P107 WeakPolarHBondContact O-CG 3.43Å
104M85.3Confident85.8Confident27 Ų2738 Ų3813%0.13323%0.225CC..Hα-helixtrans-79.7-45.2171.4-70.6-173.2-92.200112.4F78 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.89Å; F78-M104 HydrophobicContact CE1-CE 4.12Å; F78-M104 HydrophobicContact CE1-SD 3.58Å; F78-M104 VanDerWaalsContact CE1-SD 3.58Å; M100-M104 HydrophobicContact CE-CE 3.75Å; M100-M104 HydrophobicContact CE-CG 4.3Å; M100-M104 HydrophobicContact CE-SD 4.11Å; M100-M104 HydrophobicContact CG-CE 3.64Å; M100-M104 PolarHBondContact O-N 3.09Å; M100-M104 HydrophobicContact SD-CE 4.37Å; N101-M104 PolarHBondContact O-N 3.21Å; L102-M104 PolarHBondContact O-N 3.31Å; M104-L108 WeakPolarHBondContact O-CD1 2.97Å; M104-L108 VanDerWaalsContact O-CG 3.25Å; M104-L108 WeakPolarHBondContact O-CG 3.38Å
105A86.3Confident85.7Confident2 Ų239.7 Ų39.72%0.01723%0.233CC..Hα-helixtrans-71-44.3-171.800000113.5N101 L102 L108 W109 A157 F214N101-A105 VanDerWaalsContact O-CB 3.3Å; N101-A105 WeakPolarHBondContact O-CB 3.5Å; N101-A105 PolarHBondContact O-N 3.46Å; L102-A105 PolarHBondContact O-N 3.34Å; A105-L108 PolarHBondContact O-N 3.42Å; A105-W109 WeakPolarHBondContact O-CB 3.46Å; A105-W109 PolarHBondContact O-N 3.25Å; A105-A157 HydrophobicContact CB-CB 4.28Å; A105-F214 HydrophobicContact CB-CE2 4.35Å; A105-F214 HydrophobicContact CB-CZ 4.13Å
106I87.4Confident85.2Confident82 Ų8239.7 Ų39.742%0.42123%0.233SC..Hα-helixtrans-62.2-50-175.3-66.1176.6000111.8L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 3.7Å; L102-I106 HydrophobicContact CD1-CG1 3.8Å; L102-I106 HydrophobicContact CD2-CD1 4.02Å; L102-I106 HydrophobicContact CG-CD1 3.5Å; L102-I106 VanDerWaalsContact CG-CD1 3.5Å; L102-I106 HydrophobicContact CG-CG1 3.98Å; L102-I106 WeakPolarHBondContact O-CG1 3.35Å; L102-I106 PolarHBondContact O-N 3.47Å; I106-L108 PolarHBondContact O-N 3.08Å; I106-W109 PolarHBondContact O-N 2.94Å; I106-A110 WeakPolarHBondContact O-CB 3.33Å; I106-A110 PolarHBondContact O-N 3.27Å
107P88.7Confident84.8Confident80 Ų8043 Ų4352%0.51925%0.246SC..Hα-helixtrans-64.7-37.8-178.7-24.336.7000113.3A103 G111A103-P107 WeakPolarHBondContact O-CD 3.28Å; A103-P107 WeakPolarHBondContact O-CG 3.43Å; P107-G111 PolarHBondContact O-N 3.29Å
108L87.3Confident84.2Confident16 Ų1650.1 Ų50.18%0.08427%0.271CS..Hα-helixtrans-65.2-46.8178.3-69.8168.1000111.4M71 L75 M104 A105 I106 G111 A112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.23Å; M71-L108 HydrophobicContact CG-CD2 4.14Å; M71-L108 HydrophobicContact SD-CD2 3.52Å; M71-L108 VanDerWaalsContact SD-CD2 3.52Å; L75-L108 HydrophobicContact CD1-CD1 3.4Å; L75-L108 VanDerWaalsContact CD1-CD1 3.4Å; L75-L108 HydrophobicContact CD2-CD1 3.82Å; L75-L108 HydrophobicContact CG-CD1 4.26Å; M104-L108 WeakPolarHBondContact O-CD1 2.97Å; M104-L108 VanDerWaalsContact O-CG 3.25Å; M104-L108 WeakPolarHBondContact O-CG 3.38Å; A105-L108 PolarHBondContact O-N 3.42Å; I106-L108 PolarHBondContact O-N 3.08Å; L108-G111 PolarHBondContact O-N 2.89Å; L108-A112 PolarHBondContact O-N 2.71Å; L108-A112 VanDerWaalsContact O-N 3.09Å; L108-F214 HydrophobicContact CD1-CE1 4.06Å; L108-V218 HydrophobicContact CB-CG1 4.39Å
109W85.6Confident83.3Confident39 Ų3949.1 Ų49.115%0.14827%0.269CS..Hα-helixtrans-64.4-47.6176.2172.790.2000111.4A105 I106 G111 A112 V113 L149 L150 P153A105-W109 WeakPolarHBondContact O-CB 3.46Å; A105-W109 PolarHBondContact O-N 3.25Å; I106-W109 PolarHBondContact O-N 2.94Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.23Å; W109-A112 PolarHBondContact O-N 3.2Å; W109-A112 VanDerWaalsContact O-N 3.14Å; W109-V113 HydrophobicContact CD2-CG2 4.06Å; W109-V113 HydrophobicContact CH2-CG2 4.38Å; W109-V113 HydrophobicContact CZ2-CG2 3.92Å; W109-V113 WeakPolarHBondContact O-CG2 3.32Å; W109-V113 PolarHBondContact O-N 3.17Å; W109-L149 HydrophobicContact CH2-CD2 4.12Å; W109-L149 HydrophobicContact CZ2-CD2 3.42Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.42Å; W109-L149 HydrophobicContact CZ2-CG 3.92Å; W109-L149 VanDerWaalsContact CZ2-O 3.29Å; W109-L149 WeakPolarHBondContact CZ2-O 3.4Å; W109-L149 PolarHBondContact NE1-O 3.46Å; W109-L150 HydrophobicContact CH2-CD2 3.7Å; W109-L150 HydrophobicContact CZ2-CD2 4.21Å; W109-P153 HydrophobicContact CB-CB 3.91Å; W109-P153 HydrophobicContact CB-CG 4.38Å; W109-P153 HydrophobicContact CD2-CB 4.34Å; W109-P153 HydrophobicContact CD2-CG 3.83Å; W109-P153 HydrophobicContact CE3-CG 4.4Å; W109-P153 HydrophobicContact CG-CB 3.84Å; W109-P153 HydrophobicContact CG-CG 3.8Å
110A84.9Confident82.5Confident27 Ų2749.6 Ų49.622%0.22326%0.26CS..Hα-helixtrans-60.5-41.2179.100000110.9I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.33Å; I106-A110 PolarHBondContact O-N 3.27Å; A110-V113 PolarHBondContact O-N 3.39Å; A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.35Å; A110-I114 WeakPolarHBondContact O-CD1 3.42Å; A110-I114 WeakPolarHBondContact O-CG1 3.18Å; A110-I114 PolarHBondContact O-N 3.49Å
111G84.8Confident81.3Confident22 Ų2252.9 Ų52.923%0.22728%0.278CS..Hα-helixtrans-60.2-44.6174.800000113P107 L108 W109 M115P107-G111 PolarHBondContact O-N 3.29Å; L108-G111 PolarHBondContact O-N 2.89Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.23Å; G111-M115 VanDerWaalsContact O-CB 3.32Å; G111-M115 WeakPolarHBondContact O-CB 3.4Å; G111-M115 PolarHBondContact O-N 3Å
112A82.9Confident80.1Confident1 Ų161.9 Ų61.91%0.00832%0.317CS..Hα-helixtrans-63.4-45.6176.900000111.9L108 W109 M115 G116 L222L108-A112 PolarHBondContact O-N 2.71Å; L108-A112 VanDerWaalsContact O-N 3.09Å; W109-A112 PolarHBondContact O-N 3.2Å; W109-A112 VanDerWaalsContact O-N 3.14Å; A112-M115 PolarHBondContact O-N 2.82Å; A112-G116 PolarHBondContact O-N 3.46Å; A112-L222 HydrophobicContact CB-CD1 4.45Å
113V82.1Confident79.1Confident14 Ų1464.5 Ų64.59%0.08533%0.331CS..Hα-helixtrans-64.5-46.5178.6172.60000111.3W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.06Å; W109-V113 HydrophobicContact CH2-CG2 4.38Å; W109-V113 HydrophobicContact CZ2-CG2 3.92Å; W109-V113 WeakPolarHBondContact O-CG2 3.32Å; W109-V113 PolarHBondContact O-N 3.17Å; A110-V113 PolarHBondContact O-N 3.39Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.32Å; V113-G116 PolarHBondContact O-N 2.9Å; V113-G116 VanDerWaalsContact O-N 3.14Å; V113-F117 HydrophobicContact CG1-CD2 3.62Å; V113-F117 HydrophobicContact CG1-CE2 3.38Å; V113-F117 WeakPolarHBondContact O-CD2 3.49Å; V113-F117 PolarHBondContact O-N 2.9Å
114I83.5Confident77.8Confident97 Ų9762.2 Ų62.250%0.49731%0.312SS..Hα-helixtrans-61.2-39.3177.1-68.4163.4000110.6A110 G116 F117 R118A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.35Å; A110-I114 WeakPolarHBondContact O-CD1 3.42Å; A110-I114 WeakPolarHBondContact O-CG1 3.18Å; A110-I114 PolarHBondContact O-N 3.49Å; I114-G116 VanDerWaalsContact C-N 3.35Å; I114-F117 PolarHBondContact O-N 2.99Å; I114-R118 HydrophobicContact CG2-CG 4.45Å; I114-R118 WeakPolarHBondContact O-CB 3.08Å; I114-R118 VanDerWaalsContact O-CG 3.32Å; I114-R118 WeakPolarHBondContact O-CG 3.34Å; I114-R118 PolarHBondContact O-N 3.07Å
115M80.2Confident76.7Confident46 Ų4665.4 Ų65.423%0.22733%0.329CS..Hα-helixtrans-65.9-37.6176.2-171.7169.8-178.800112.1W68 G111 A112 V113 R118 S119 L222W68-M115 HydrophobicContact CZ2-SD 3.94Å; W68-M115 PolarHBondContact NE1-SD 2.95Å; G111-M115 VanDerWaalsContact O-CB 3.32Å; G111-M115 WeakPolarHBondContact O-CB 3.4Å; G111-M115 PolarHBondContact O-N 3Å; A112-M115 PolarHBondContact O-N 2.82Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.32Å; M115-R118 PolarHBondContact O-N 3.43Å; M115-S119 WeakPolarHBondContact O-CB 3.25Å; M115-S119 PolarHBondContact O-N 2.96Å; M115-S119 PolarHBondContact O-OG 2.96Å; M115-S119 VanDerWaalsContact O-OG 3.11Å; M115-L222 HydrophobicContact SD-CD1 4.22Å
116G74.8Confident75.5Confident1 Ų167.9 Ų67.91%0.0135%0.35CS..Hα-helixtrans-61.8-50.8173.200000112.8A112 V113 I114 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 3.46Å; V113-G116 PolarHBondContact O-N 2.9Å; V113-G116 VanDerWaalsContact O-N 3.14Å; I114-G116 VanDerWaalsContact C-N 3.35Å; G116-R118 VanDerWaalsContact C-N 3.32Å; G116-R118 PolarHBondContact O-N 3.49Å; G116-S119 PolarHBondContact O-N 3.49Å; G116-S119 PolarHBondContact O-OG 3.47Å; G116-K120 PolarHBondContact O-N 3.02Å; G116-N225 VanDerWaalsContact CA-O 3.23Å; G116-N225 WeakPolarHBondContact CA-O 3.17Å
117F76.8Confident74.3Confident79 Ų7969.3 Ų69.335%0.34635%0.354SS..Hα-helixtrans-59.5-40.9175.3-78.1-66.2000112.1V113 I114 I121 A124 L125 F128V113-F117 HydrophobicContact CG1-CD2 3.62Å; V113-F117 HydrophobicContact CG1-CE2 3.38Å; V113-F117 WeakPolarHBondContact O-CD2 3.49Å; V113-F117 PolarHBondContact O-N 2.9Å; I114-F117 PolarHBondContact O-N 2.99Å; F117-I121 WeakPolarHBondContact O-CG1 3.29Å; F117-A124 HydrophobicContact CD1-CB 4.32Å; F117-A124 HydrophobicContact CE1-CB 4.41Å; F117-L125 HydrophobicContact CD1-CD1 4.21Å; F117-L125 HydrophobicContact CE1-CD1 3.82Å; F117-F128 HydrophobicContact CZ-CE2 4.41Å
118R75.9Confident73Confident217 Ų21767.2 Ų67.282%0.81934%0.337SS*.Hα-helixtrans-70.2-33.7179.1-74.1-179.569.8-1692.1113.7I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.45Å; I114-R118 WeakPolarHBondContact O-CB 3.08Å; I114-R118 VanDerWaalsContact O-CG 3.32Å; I114-R118 WeakPolarHBondContact O-CG 3.34Å; I114-R118 PolarHBondContact O-N 3.07Å; M115-R118 PolarHBondContact O-N 3.43Å; G116-R118 VanDerWaalsContact C-N 3.32Å; G116-R118 PolarHBondContact O-N 3.49Å
119S67.4Low71.7Confident46 Ų4669.4 Ų69.432%0.32235%0.349SS..Hα-helixtrans-88.6-39.3-172.872.20000113.5M115 G116 N225M115-S119 WeakPolarHBondContact O-CB 3.25Å; M115-S119 PolarHBondContact O-N 2.96Å; M115-S119 PolarHBondContact O-OG 2.96Å; M115-S119 VanDerWaalsContact O-OG 3.11Å; G116-S119 PolarHBondContact O-N 3.49Å; G116-S119 PolarHBondContact O-OG 3.47Å; S119-N225 PolarHBondContact OG-O 2.98Å
120K69.1Low70.5Confident93 Ų9370.9 Ų70.940%0.40436%0.363SS..  trans-147.572-177.4-67.4175.7-178.5157.50111.5G116 K122 N123 A124 T226G116-K120 PolarHBondContact O-N 3.02Å; K120-K122 VanDerWaalsContact C-N 3.25Å; K120-K122 PolarHBondContact O-N 2.89Å; K120-K122 VanDerWaalsContact O-N 3.16Å; K120-N123 HydrophobicContact CB-CB 3.88Å; K120-N123 HydrophobicContact CD-CB 4.21Å; K120-N123 PolarHBondContact O-N 3.33Å; K120-N123 VanDerWaalsContact O-N 3.08Å; K120-A124 WeakPolarHBondContact O-CB 3.32Å; K120-A124 PolarHBondContact O-N 3.12Å; K120-T226 WeakPolarHBondContact CE-O 3.32Å; K120-T226 VanDerWaalsContact NZ-C 3.33Å; K120-T226 PolarHBondContact NZ-O 2.7Å; K120-T226 PolarHBondContact NZ-OXT 3.46Å
121I63.2Low69.3Low109 Ų10979.3 Ų79.356%0.55940%0.398SS*.Hα-helixtrans-46.5-49.1176.8-60.6172.2000111.6F117 N123 L125F117-I121 WeakPolarHBondContact O-CG1 3.29Å; I121-N123 PolarHBondContact O-N 3.21Å; I121-L125 HydrophobicContact CG2-CD1 3.8Å; I121-L125 WeakPolarHBondContact O-CD1 3.4Å; I121-L125 PolarHBondContact O-N 2.92Å
122K61.5Low68.2Low191 Ų19182.2 Ų82.283%0.8343%0.428SS*.Hα-helixtrans-66.2-36.7-176.3-63.8-175.6-179.3-177.20113.5K120 A126K120-K122 VanDerWaalsContact C-N 3.25Å; K120-K122 PolarHBondContact O-N 2.89Å; K120-K122 VanDerWaalsContact O-N 3.16Å; K122-A126 VanDerWaalsContact O-CB 3.26Å; K122-A126 WeakPolarHBondContact O-CB 3.33Å; K122-A126 PolarHBondContact O-N 3.44Å
123N65.6Low67.6Low100 Ų10083.9 Ų83.954%0.53544%0.438SS..Hα-helixtrans-79.9-36-178.3-149.161.9000111.4K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.88Å; K120-N123 HydrophobicContact CD-CB 4.21Å; K120-N123 PolarHBondContact O-N 3.33Å; K120-N123 VanDerWaalsContact O-N 3.08Å; I121-N123 PolarHBondContact O-N 3.21Å; N123-A126 PolarHBondContact O-N 2.99Å; N123-H127 PolarHBondContact O-N 3.25Å
124A61.7Low67.1Low17 Ų1786.8 Ų86.814%0.1446%0.457CS..Hα-helixtrans-63.1-42.5172.600000111.4F117 K120 H127F117-A124 HydrophobicContact CD1-CB 4.32Å; F117-A124 HydrophobicContact CE1-CB 4.41Å; K120-A124 WeakPolarHBondContact O-CB 3.32Å; K120-A124 PolarHBondContact O-N 3.12Å; A124-H127 PolarHBondContact O-N 3.2Å
125L61.5Low66.7Low94 Ų9487.8 Ų87.849%0.49247%0.468SS..Hα-helixtrans-70.3-31.9174.1-87.383000112.8F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.21Å; F117-L125 HydrophobicContact CE1-CD1 3.82Å; I121-L125 HydrophobicContact CG2-CD1 3.8Å; I121-L125 WeakPolarHBondContact O-CD1 3.4Å; I121-L125 PolarHBondContact O-N 2.92Å; L125-H127 VanDerWaalsContact C-N 3.32Å; L125-F128 PolarHBondContact O-N 3.44Å
126A60.9Low66.8Low54 Ų5490.5 Ų90.545%0.44649%0.489SS..Hα-helixtrans-68.7-29.1176.800000112.7K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.26Å; K122-A126 WeakPolarHBondContact O-CB 3.33Å; K122-A126 PolarHBondContact O-N 3.44Å; N123-A126 PolarHBondContact O-N 2.99Å; A126-F128 PolarHBondContact O-N 3.47Å; A126-L129 CarbonylContact O-C 3.53Å; A126-L129 PolarHBondContact O-N 3.34Å
127H62.7Low67Low112 Ų11295.4 Ų95.452%0.51951%0.514SS..THydrogen-bonded Turntrans-65-21.1175.6-161.9-66000112.8N123 A124 L125 L129N123-H127 PolarHBondContact O-N 3.25Å; A124-H127 PolarHBondContact O-N 3.2Å; L125-H127 VanDerWaalsContact C-N 3.32Å; H127-L129 PolarHBondContact O-N 2.87Å
128F61.6Low67.1Low36 Ų3694 Ų9416%0.15851%0.51CS..THydrogen-bonded Turntrans-69.1-14.8172.8-68-58.7000113.4F117 L125 A126 L141 E145 T146 L149F117-F128 HydrophobicContact CZ-CE2 4.41Å; L125-F128 PolarHBondContact O-N 3.44Å; A126-F128 PolarHBondContact O-N 3.47Å; F128-L141 WeakPolarHBondContact O-CD2 3.46Å; F128-E145 HydrophobicContact CD1-CB 4.2Å; F128-E145 HydrophobicContact CD1-CG 3.82Å; F128-T146 HydrophobicContact CD1-CG2 4.14Å; F128-T146 HydrophobicContact CE1-CG2 3.88Å; F128-T146 HydrophobicContact CZ-CG2 4.38Å; F128-L149 HydrophobicContact CE1-CD1 4.48Å
129L60.1Low67.3Low63 Ų6387.7 Ų87.733%0.3350%0.497SS..SBendtrans-121.9114.3175.7-99.377.5000111A126 H127 Q131 I138 V142A126-L129 CarbonylContact O-C 3.53Å; A126-L129 PolarHBondContact O-N 3.34Å; H127-L129 PolarHBondContact O-N 2.87Å; L129-Q131 PolarHBondContact O-N 3.01Å; L129-I138 HydrophobicContact CD1-CG2 3.96Å; L129-I138 HydrophobicContact CD2-CD1 4.15Å; L129-I138 HydrophobicContact CD2-CG1 4.26Å; L129-I138 HydrophobicContact CD2-CG2 3.77Å; L129-I138 HydrophobicContact CG-CG2 4.12Å; L129-V142 HydrophobicContact CD1-CG2 3.36Å
130P59.7Low68Low69 Ų6990.9 Ų90.945%0.44851%0.508SS..  trans-62.7135.7163.919.2-19.9000109.4G132 T133 L141P130-G132 PolarHBondContact O-N 3.16Å; P130-T133 HydrophobicContact CB-CG2 4.47Å; P130-T133 HydrophobicContact CG-CG2 3.75Å; P130-T133 WeakPolarHBondContact O-CG2 3.23Å; P130-T133 PolarHBondContact O-OG1 2.91Å; P130-L141 HydrophobicContact CG-CD1 3.79Å; P130-L141 HydrophobicContact CG-CD2 4Å
131Q59.6Low68.7Low205 Ų20588.7 Ų88.796%0.95850%0.501SS*.THydrogen-bonded Turntrans-63.2130.6-178.8-63-167.3-2.200110.1L129L129-Q131 PolarHBondContact O-N 3.01Å
132G60.8Low69.5Low82 Ų8285.7 Ų85.785%0.84549%0.487SS*.THydrogen-bonded Turntrans95.715.1177.900000115.8P130P130-G132 PolarHBondContact O-N 3.16Å
133T70.3Confident70.6Confident36 Ų3680.9 Ų80.922%0.22147%0.47CS..  trans-75.2135.5175.343.50000112.3P130 L141P130-T133 HydrophobicContact CB-CG2 4.47Å; P130-T133 HydrophobicContact CG-CG2 3.75Å; P130-T133 WeakPolarHBondContact O-CG2 3.23Å; P130-T133 PolarHBondContact O-OG1 2.91Å; T133-L141 HydrophobicContact CG2-CD1 3.94Å
134P72.7Confident71.6Confident75 Ų7580.5 Ų80.549%0.48747%0.467SS..  trans-68.5139.417829.1-34.4000110.4P136 L137P134-P136 VanDerWaalsContact C-N 3.34Å; P134-P136 WeakPolarHBondContact O-CD 3.16Å; P134-P136 VanDerWaalsContact O-N 3.08Å; P134-L137 HydrophobicContact CG-CB 4.38Å; P134-L137 HydrophobicContact CG-CD1 3.74Å; P134-L137 HydrophobicContact CG-CG 4.21Å; P134-L137 PolarHBondContact O-N 2.98Å
135T75.7Confident72.6Confident119 Ų11982.5 Ų82.573%0.7347%0.473SS*.THydrogen-bonded Turntrans-48.3-34.9-17250.60000117
136P81.6Confident73.5Confident102 Ų10280.5 Ų80.566%0.66247%0.465SS*.THydrogen-bonded Turntrans-76-22.3178.727-34.1000114.7P134P134-P136 VanDerWaalsContact C-N 3.34Å; P134-P136 WeakPolarHBondContact O-CD 3.16Å; P134-P136 VanDerWaalsContact O-N 3.08Å
137L79.3Confident74.6Confident105 Ų10582 Ų8255%0.5546%0.464SS..THydrogen-bonded Turntrans-88.5-11.1-177.4-66.9177000113.3P134 M140 L141P134-L137 HydrophobicContact CG-CB 4.38Å; P134-L137 HydrophobicContact CG-CD1 3.74Å; P134-L137 HydrophobicContact CG-CG 4.21Å; P134-L137 PolarHBondContact O-N 2.98Å; L137-M140 PolarHBondContact O-N 3.42Å; L137-L141 PolarHBondContact O-N 3.07Å; L137-L141 VanDerWaalsContact O-N 3.13Å
138I79.1Confident75.6Confident48 Ų4879 Ų7925%0.24646%0.457CS..Hα-helixtrans-55.9-48.8-176.5-64.1176.5000112.6L129 M140 L141 V142L129-I138 HydrophobicContact CD1-CG2 3.96Å; L129-I138 HydrophobicContact CD2-CD1 4.15Å; L129-I138 HydrophobicContact CD2-CG1 4.26Å; L129-I138 HydrophobicContact CD2-CG2 3.77Å; L129-I138 HydrophobicContact CG-CG2 4.12Å; I138-M140 VanDerWaalsContact C-N 3.32Å; I138-M140 PolarHBondContact O-N 3.3Å; I138-L141 PolarHBondContact O-N 3.48Å; I138-V142 HydrophobicContact CG2-CG2 4.45Å; I138-V142 WeakPolarHBondContact O-CG2 3.5Å; I138-V142 PolarHBondContact O-N 2.68Å; I138-V142 VanDerWaalsContact O-N 3.15Å
139P79Confident76.5Confident85 Ų8579.4 Ų79.455%0.55246%0.46SS*.Hα-helixtrans-64.4-37.5-175.4-20.733.4000112.7I143P139-I143 WeakPolarHBondContact O-CG1 3.29Å; P139-I143 PolarHBondContact O-N 3.43Å
140M82.4Confident77.6Confident114 Ų11481.7 Ų81.756%0.56247%0.472SS*.Hα-helixtrans-69-41.1178.9-173.463.8-172.600111.5L137 I138 I143 I144L137-M140 PolarHBondContact O-N 3.42Å; I138-M140 VanDerWaalsContact C-N 3.32Å; I138-M140 PolarHBondContact O-N 3.3Å; M140-I143 PolarHBondContact O-N 3.34Å; M140-I144 HydrophobicContact CE-CD1 3.99Å; M140-I144 HydrophobicContact CE-CG1 4.2Å; M140-I144 HydrophobicContact CG-CD1 4.1Å; M140-I144 WeakPolarHBondContact O-CG1 3.37Å; M140-I144 PolarHBondContact O-N 3.27Å; M140-I144 VanDerWaalsContact O-N 3.1Å
141L84.2Confident78.7Confident47 Ų4783 Ų8325%0.24647%0.474CS..Hα-helixtrans-66.8-40.3-178.4-168.2149.9000112F128 P130 T133 L137 I138 I143 I144 E145F128-L141 WeakPolarHBondContact O-CD2 3.46Å; P130-L141 HydrophobicContact CG-CD1 3.79Å; P130-L141 HydrophobicContact CG-CD2 4Å; T133-L141 HydrophobicContact CG2-CD1 3.94Å; L137-L141 PolarHBondContact O-N 3.07Å; L137-L141 VanDerWaalsContact O-N 3.13Å; I138-L141 PolarHBondContact O-N 3.48Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 3.22Å; L141-I144 PolarHBondContact O-N 3.31Å; L141-E145 WeakPolarHBondContact O-CB 3.18Å; L141-E145 PolarHBondContact O-N 3.35Å
142V80.7Confident79.8Confident45 Ų4576.7 Ų76.727%0.27345%0.445SS..Hα-helixtrans-59.7-41.8175.4174.50000111.1L129 I138 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.36Å; I138-V142 HydrophobicContact CG2-CG2 4.45Å; I138-V142 WeakPolarHBondContact O-CG2 3.5Å; I138-V142 PolarHBondContact O-N 2.68Å; I138-V142 VanDerWaalsContact O-N 3.15Å; V142-E145 PolarHBondContact O-N 3.08Å; V142-T146 HydrophobicContact CG1-CG2 4.34Å; V142-T146 WeakPolarHBondContact O-CB 3.44Å; V142-T146 VanDerWaalsContact O-CG2 3.25Å; V142-T146 WeakPolarHBondContact O-CG2 3.48Å; V142-T146 PolarHBondContact O-N 3.09Å; V142-T146 PolarHBondContact O-OG1 2.97Å
143I84.4Confident80.6Confident90 Ų9073.3 Ų73.346%0.46241%0.408SS..Hα-helixtrans-62.6-44.8176.8-66.3166.5000110.4P139 M140 L141 E145 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.29Å; P139-I143 PolarHBondContact O-N 3.43Å; M140-I143 PolarHBondContact O-N 3.34Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 3.22Å; I143-E145 PolarHBondContact O-N 3.03Å; I143-T146 WeakPolarHBondContact CA-OG1 3.31Å; I143-T146 PolarHBondContact O-N 3.09Å; I143-T146 PolarHBondContact O-OG1 2.96Å; I143-I147 HydrophobicContact CG2-CD1 3.8Å; I143-I147 WeakPolarHBondContact O-CD1 3.42Å; I143-I147 VanDerWaalsContact O-CG1 3.25Å; I143-I147 WeakPolarHBondContact O-CG1 3.39Å; I143-I147 PolarHBondContact O-N 2.98Å; I143-I147 VanDerWaalsContact O-N 3.07Å
144I85.4Confident81.2Confident93 Ų9375.3 Ų75.348%0.47742%0.416SS..Hα-helixtrans-64.3-43.7179.3-64.6165.2000111.1M140 L141 I147 S148M140-I144 HydrophobicContact CE-CD1 3.99Å; M140-I144 HydrophobicContact CE-CG1 4.2Å; M140-I144 HydrophobicContact CG-CD1 4.1Å; M140-I144 WeakPolarHBondContact O-CG1 3.37Å; M140-I144 PolarHBondContact O-N 3.27Å; M140-I144 VanDerWaalsContact O-N 3.1Å; L141-I144 PolarHBondContact O-N 3.31Å; I144-I147 PolarHBondContact O-N 2.73Å; I144-S148 WeakPolarHBondContact O-CB 3.22Å; I144-S148 PolarHBondContact O-N 3.36Å
145E83.1Confident81.8Confident58 Ų5873.7 Ų73.727%0.27141%0.409SS..Hα-helixtrans-67.6-39.7-178.4-167.461.6-160.200111.8F128 L141 V142 I143 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.2Å; F128-E145 HydrophobicContact CD1-CG 3.82Å; L141-E145 WeakPolarHBondContact O-CB 3.18Å; L141-E145 PolarHBondContact O-N 3.35Å; V142-E145 PolarHBondContact O-N 3.08Å; I143-E145 PolarHBondContact O-N 3.03Å; E145-I147 VanDerWaalsContact C-N 3.33Å; E145-I147 PolarHBondContact O-N 3.5Å; E145-S148 WeakPolarHBondContact O-CB 3.44Å; E145-S148 PolarHBondContact O-N 3.5Å; E145-L149 WeakPolarHBondContact O-CB 3.49Å; E145-L149 PolarHBondContact O-N 2.96Å
146T80.4Confident81.9Confident52 Ų5268.4 Ų68.432%0.31938%0.376SS..Hα-helixtrans-63-38.8173.954.50000112.2F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.14Å; F128-T146 HydrophobicContact CE1-CG2 3.88Å; F128-T146 HydrophobicContact CZ-CG2 4.38Å; V142-T146 HydrophobicContact CG1-CG2 4.34Å; V142-T146 WeakPolarHBondContact O-CB 3.44Å; V142-T146 VanDerWaalsContact O-CG2 3.25Å; V142-T146 WeakPolarHBondContact O-CG2 3.48Å; V142-T146 PolarHBondContact O-N 3.09Å; V142-T146 PolarHBondContact O-OG1 2.97Å; I143-T146 WeakPolarHBondContact CA-OG1 3.31Å; I143-T146 PolarHBondContact O-N 3.09Å; I143-T146 PolarHBondContact O-OG1 2.96Å; T146-L150 WeakPolarHBondContact O-CG 3.25Å; T146-L150 PolarHBondContact O-N 3.31Å
147I84.6Confident81.9Confident85 Ų8563.6 Ų63.644%0.43634%0.344SS..Hα-helixtrans-67.3-43.7174.2-68.2167000110.8I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.8Å; I143-I147 WeakPolarHBondContact O-CD1 3.42Å; I143-I147 VanDerWaalsContact O-CG1 3.25Å; I143-I147 WeakPolarHBondContact O-CG1 3.39Å; I143-I147 PolarHBondContact O-N 2.98Å; I143-I147 VanDerWaalsContact O-N 3.07Å; I144-I147 PolarHBondContact O-N 2.73Å; E145-I147 VanDerWaalsContact C-N 3.33Å; E145-I147 PolarHBondContact O-N 3.5Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 2.96Å; I147-L150 PolarHBondContact O-N 2.83Å; 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 4.15Å; I147-I151 WeakPolarHBondContact O-CG1 3.21Å; I147-I151 PolarHBondContact O-N 2.75Å
148S82.9Confident82.2Confident51 Ų5161.5 Ų61.536%0.35734%0.336SS..Hα-helixtrans-57.5-46.2178-176.70000111.8I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.22Å; I144-S148 PolarHBondContact O-N 3.36Å; E145-S148 WeakPolarHBondContact O-CB 3.44Å; E145-S148 PolarHBondContact O-N 3.5Å; S148-L150 VanDerWaalsContact C-N 3.28Å; S148-L150 PolarHBondContact O-N 3.13Å; S148-I151 PolarHBondContact O-N 3.25Å; S148-Q152 PolarHBondContact O-N 3.47Å; S148-Q152 VanDerWaalsContact O-N 3.14Å
149L81.6Confident82.5Confident44 Ų4464 Ų6423%0.2334%0.342CS..Hα-helixtrans-61-35.1177.6-174.7124.4000112.3W109 F128 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.12Å; W109-L149 HydrophobicContact CZ2-CD2 3.42Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.42Å; W109-L149 HydrophobicContact CZ2-CG 3.92Å; W109-L149 VanDerWaalsContact CZ2-O 3.29Å; W109-L149 WeakPolarHBondContact CZ2-O 3.4Å; W109-L149 PolarHBondContact NE1-O 3.46Å; F128-L149 HydrophobicContact CE1-CD1 4.48Å; E145-L149 WeakPolarHBondContact O-CB 3.49Å; E145-L149 PolarHBondContact O-N 2.96Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 2.96Å; L149-P153 WeakPolarHBondContact O-CD 3.4Å
150L81.3Confident82.6Confident110 Ų11060 Ų6058%0.57632%0.316SS*.Hα-helixtrans-78.2-34.5176.5-71.9172.7000113.7W109 T146 I147 S148 P153W109-L150 HydrophobicContact CH2-CD2 3.7Å; W109-L150 HydrophobicContact CZ2-CD2 4.21Å; T146-L150 WeakPolarHBondContact O-CG 3.25Å; T146-L150 PolarHBondContact O-N 3.31Å; I147-L150 PolarHBondContact O-N 2.83Å; I147-L150 VanDerWaalsContact O-N 3.15Å; S148-L150 VanDerWaalsContact C-N 3.28Å; S148-L150 PolarHBondContact O-N 3.13Å; L150-P153 WeakPolarHBondContact O-CD 3.36Å; L150-P153 WeakPolarHBondContact O-CG 3.11Å
151I84.7Confident82.6Confident98 Ų9855.3 Ų55.350%0.50329%0.294SS..Hα-helixtrans-72.9-32.1-179.2-69.8172.5000111.3I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.49Å; I147-I151 VanDerWaalsContact CG2-CD1 3.49Å; I147-I151 HydrophobicContact CG2-CG1 4.15Å; I147-I151 WeakPolarHBondContact O-CG1 3.21Å; I147-I151 PolarHBondContact O-N 2.75Å; S148-I151 PolarHBondContact O-N 3.25Å; I151-M154 WeakPolarHBondContact O-CB 3.5Å; I151-M154 PolarHBondContact O-N 2.97Å; I151-M154 VanDerWaalsContact O-N 3.13Å; I151-A155 HydrophobicContact CG2-CB 4.43Å; I151-A155 WeakPolarHBondContact O-CB 3.27Å; I151-A155 PolarHBondContact O-N 3.08Å
152Q82.1Confident82.6Confident71 Ų7155 Ų5533%0.33230%0.298SS..Hα-helixtrans-51.2-52.9-177.7-106.2174.9-19.500116.1S148 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 3.47Å; S148-Q152 VanDerWaalsContact O-N 3.14Å; Q152-M154 VanDerWaalsContact C-N 3.27Å; Q152-M154 PolarHBondContact O-N 3.28Å; Q152-A155 PolarHBondContact O-N 3.01Å; Q152-L156 WeakPolarHBondContact O-CB 3.13Å; Q152-L156 PolarHBondContact O-N 3.38Å; Q152-Y221 WeakPolarHBondContact CB-OH 3.37Å; Q152-Y221 HydrophobicContact CG-CE1 4.36Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.35Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.34Å; Q152-Y221 PolarHBondContact NE2-OH 2.8Å; Q152-Y221 PolarHBondContact OE1-OH 3.08Å
153P77.9Confident82.9Confident11 Ų1155.8 Ų55.87%0.07130%0.301CS..Hα-helixtrans-64.5-33.8178.624.3-34.8000112.1W109 L149 L150 L156 A157W109-P153 HydrophobicContact CB-CB 3.91Å; W109-P153 HydrophobicContact CB-CG 4.38Å; W109-P153 HydrophobicContact CD2-CB 4.34Å; W109-P153 HydrophobicContact CD2-CG 3.83Å; W109-P153 HydrophobicContact CE3-CG 4.4Å; W109-P153 HydrophobicContact CG-CB 3.84Å; W109-P153 HydrophobicContact CG-CG 3.8Å; L149-P153 WeakPolarHBondContact O-CD 3.4Å; L150-P153 WeakPolarHBondContact O-CD 3.36Å; L150-P153 WeakPolarHBondContact O-CG 3.11Å; P153-L156 WeakPolarHBondContact O-CB 3.45Å; P153-A157 PolarHBondContact O-N 3.01Å; P153-A157 VanDerWaalsContact O-N 3.17Å
154M82.6Confident82.9Confident79 Ų7951.8 Ų51.839%0.38928%0.28SS..Hα-helixtrans-67.4-46175.2-170.965.1-173.600111.2L98 L102 I151 Q152 L156 A157 V158L98-M154 HydrophobicContact CD2-CE 4.09Å; L102-M154 HydrophobicContact CD1-SD 3.47Å; L102-M154 WeakPolarHBondContact CD1-SD 3.13Å; L102-M154 HydrophobicContact CD2-SD 4.28Å; I151-M154 WeakPolarHBondContact O-CB 3.5Å; I151-M154 PolarHBondContact O-N 2.97Å; I151-M154 VanDerWaalsContact O-N 3.13Å; Q152-M154 VanDerWaalsContact C-N 3.27Å; Q152-M154 PolarHBondContact O-N 3.28Å; M154-L156 VanDerWaalsContact C-N 3.27Å; M154-L156 PolarHBondContact O-N 2.73Å; M154-A157 PolarHBondContact O-N 3.33Å; M154-V158 HydrophobicContact CE-CG2 3.99Å; M154-V158 HydrophobicContact CG-CG2 4.47Å; M154-V158 VanDerWaalsContact O-CG2 3.32Å; M154-V158 WeakPolarHBondContact O-CG2 3.33Å; M154-V158 PolarHBondContact O-N 3.49Å
155A84.1Confident83Confident41 Ų4149.1 Ų49.134%0.33927%0.268SS..Hα-helixtrans-61.5-37178.300000112I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.43Å; I151-A155 WeakPolarHBondContact O-CB 3.27Å; I151-A155 PolarHBondContact O-N 3.08Å; Q152-A155 PolarHBondContact O-N 3.01Å; A155-R159 VanDerWaalsContact O-CB 3.32Å; A155-R159 WeakPolarHBondContact O-CB 3.28Å; A155-R159 PolarHBondContact O-N 3.44Å
156L78.3Confident83.2Confident8 Ų849 Ų494%0.04228%0.277CS..Hα-helixtrans-62.1-48.5174.7-16483.8000111.9Q152 P153 M154 R159 L160 F214 L217 V218Q152-L156 WeakPolarHBondContact O-CB 3.13Å; Q152-L156 PolarHBondContact O-N 3.38Å; P153-L156 WeakPolarHBondContact O-CB 3.45Å; M154-L156 VanDerWaalsContact C-N 3.27Å; M154-L156 PolarHBondContact O-N 2.73Å; L156-R159 PolarHBondContact O-N 3.04Å; L156-L160 PolarHBondContact O-N 2.86Å; L156-F214 HydrophobicContact CD1-CD2 4.23Å; L156-F214 HydrophobicContact CD2-CD1 4.15Å; L156-F214 HydrophobicContact CD2-CD2 3.29Å; L156-F214 HydrophobicContact CD2-CE1 4.03Å; L156-F214 HydrophobicContact CD2-CE2 3.15Å; L156-F214 HydrophobicContact CD2-CG 3.81Å; L156-F214 HydrophobicContact CD2-CZ 3.55Å; L156-F214 HydrophobicContact CG-CD2 3.43Å; L156-F214 VanDerWaalsContact CG-CD2 3.43Å; L156-F214 HydrophobicContact CG-CE2 3.63Å; L156-F214 HydrophobicContact CG-CG 4.16Å; L156-F214 HydrophobicContact CG-CZ 4.48Å; L156-L217 HydrophobicContact CD1-CB 3.98Å; L156-L217 HydrophobicContact CD1-CD1 3.35Å; L156-L217 HydrophobicContact CD1-CG 4.29Å; L156-V218 HydrophobicContact CD2-CG2 4.37Å
157A81.5Confident83.5Confident0 Ų046.8 Ų46.80%027%0.265CS..Hα-helixtrans-64-44.6179.800000111.8L98 N101 L102 A105 P153 M154 L160 T161L98-A157 HydrophobicContact CD1-CB 4.35Å; N101-A157 HydrophobicContact CB-CB 3.91Å; N101-A157 PolarHBondContact ND2-O 3.22Å; L102-A157 HydrophobicContact CD1-CB 4.2Å; A105-A157 HydrophobicContact CB-CB 4.28Å; P153-A157 PolarHBondContact O-N 3.01Å; P153-A157 VanDerWaalsContact O-N 3.17Å; M154-A157 PolarHBondContact O-N 3.33Å; A157-L160 PolarHBondContact O-N 2.99Å; A157-T161 PolarHBondContact O-N 2.86Å; A157-T161 VanDerWaalsContact O-N 3.13Å; A157-T161 PolarHBondContact O-OG1 3.39Å
158V85.8Confident83.7Confident61 Ų6144.3 Ų44.337%0.3725%0.251SS..Hα-helixtrans-64.2-39.3177.51730000111.4L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.91Å; M154-V158 HydrophobicContact CE-CG2 3.99Å; M154-V158 HydrophobicContact CG-CG2 4.47Å; M154-V158 VanDerWaalsContact O-CG2 3.32Å; M154-V158 WeakPolarHBondContact O-CG2 3.33Å; M154-V158 PolarHBondContact O-N 3.49Å; V158-L160 VanDerWaalsContact C-N 3.27Å; V158-L160 PolarHBondContact O-N 3.46Å; V158-T161 WeakPolarHBondContact CA-OG1 3.38Å; V158-T161 PolarHBondContact O-N 3.05Å; V158-T161 PolarHBondContact O-OG1 3.38Å; V158-A162 WeakPolarHBondContact O-CB 3.49Å; V158-A162 PolarHBondContact O-N 2.91Å
159R85.8Confident84Confident102 Ų10243.8 Ų43.839%0.38524%0.244SC..Hα-helixtrans-59.3-41.6177.2-169.6-174.2-60.4160.32111.5A155 L156 N163 Q210A155-R159 VanDerWaalsContact O-CB 3.32Å; A155-R159 WeakPolarHBondContact O-CB 3.28Å; A155-R159 PolarHBondContact O-N 3.44Å; L156-R159 PolarHBondContact O-N 3.04Å; R159-N163 WeakPolarHBondContact O-CB 3.29Å; R159-N163 VanDerWaalsContact O-CG 3.27Å; R159-N163 PolarHBondContact O-N 3.18Å; R159-Q210 VanDerWaalsContact C-NE2 3.32Å
160L79.9Confident84.4Confident1 Ų145.4 Ų45.41%0.00525%0.253CS..Hα-helixtrans-71.7-41.5-178.1-160.8137.6000111.6I79 T95 N101 L156 A157 V158 I164 Q210 F214I79-L160 HydrophobicContact CG2-CD1 3.62Å; T95-L160 HydrophobicContact CG2-CD2 3.97Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.44Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.45Å; L156-L160 PolarHBondContact O-N 2.86Å; A157-L160 PolarHBondContact O-N 2.99Å; V158-L160 VanDerWaalsContact C-N 3.27Å; V158-L160 PolarHBondContact O-N 3.46Å; L160-I164 HydrophobicContact CD2-CD1 3.7Å; L160-I164 HydrophobicContact CG-CD1 4.21Å; L160-I164 WeakPolarHBondContact O-CD1 3.17Å; L160-I164 WeakPolarHBondContact O-CG1 3.44Å; L160-I164 PolarHBondContact O-N 3.46Å; L160-Q210 HydrophobicContact CB-CG 4.15Å; L160-Q210 HydrophobicContact CD1-CG 3.7Å; L160-Q210 HydrophobicContact CG-CG 3.75Å; L160-Q210 VanDerWaalsContact N-NE2 3.11Å; L160-F214 HydrophobicContact CD1-CD2 4.12Å
161T84Confident84.8Confident14 Ų1441.5 Ų41.59%0.08623%0.232CC..Hα-helixtrans-65.3-46.6174.549.80000112T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.06Å; L98-T161 VanDerWaalsContact CA-CG2 3.44Å; L98-T161 HydrophobicContact CB-CG2 4.01Å; L98-T161 HydrophobicContact CD1-CG2 3.99Å; N101-T161 HydrophobicContact CB-CG2 4.36Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.37Å; N101-T161 PolarHBondContact ND2-N 2.92Å; A157-T161 PolarHBondContact O-N 2.86Å; A157-T161 VanDerWaalsContact O-N 3.13Å; A157-T161 PolarHBondContact O-OG1 3.39Å; V158-T161 WeakPolarHBondContact CA-OG1 3.38Å; V158-T161 PolarHBondContact O-N 3.05Å; V158-T161 PolarHBondContact O-OG1 3.38Å; T161-N163 PolarHBondContact O-N 3.18Å; T161-I164 PolarHBondContact O-N 3.35Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 3.45Å; T161-T165 WeakPolarHBondContact O-CG2 3.34Å; T161-T165 PolarHBondContact O-N 2.86Å; T161-T165 PolarHBondContact O-OG1 3.49Å
162A83.5Confident85Confident41 Ų4140.6 Ų40.634%0.33923%0.226SC..Hα-helixtrans-62.7-45.9-172.900000111.1V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.49Å; V158-A162 PolarHBondContact O-N 2.91Å; A162-T165 PolarHBondContact O-OG1 3.28Å; A162-T165 VanDerWaalsContact O-OG1 3.12Å; A162-A166 WeakPolarHBondContact O-CB 3.47Å; A162-A166 PolarHBondContact O-N 3.35Å
163N87.5Confident85.4Confident61 Ų6141.4 Ų41.433%0.32623%0.232SC..Hα-helixtrans-62.7-48.8-179.5-69.4-5.7000111.5R159 T161 G167 V206R159-N163 WeakPolarHBondContact O-CB 3.29Å; R159-N163 VanDerWaalsContact O-CG 3.27Å; R159-N163 PolarHBondContact O-N 3.18Å; T161-N163 PolarHBondContact O-N 3.18Å; N163-G167 PolarHBondContact O-N 3.25Å; N163-V206 HydrophobicContact CB-CG1 4.1Å
164I84.6Confident86Confident6 Ų642.4 Ų42.43%0.03124%0.236CC..Hα-helixtrans-69.7-42.8-176.8-59.2172.6000111.2N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.31Å; N83-I164 VanDerWaalsContact CG-CD1 3.44Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.27Å; T93-I164 HydrophobicContact CG2-CG2 4.29Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.32Å; T96-I164 HydrophobicContact CG2-CB 4.33Å; T96-I164 HydrophobicContact CG2-CG2 3.62Å; L160-I164 HydrophobicContact CD2-CD1 3.7Å; L160-I164 HydrophobicContact CG-CD1 4.21Å; L160-I164 WeakPolarHBondContact O-CD1 3.17Å; L160-I164 WeakPolarHBondContact O-CG1 3.44Å; L160-I164 PolarHBondContact O-N 3.46Å; T161-I164 PolarHBondContact O-N 3.35Å; I164-H168 WeakPolarHBondContact O-CB 3.35Å; I164-H168 PolarHBondContact O-CD2 3.28Å; I164-H168 VanDerWaalsContact O-CD2 3.25Å; I164-H168 PolarHBondContact O-N 3.43Å
165T86.7Confident86.4Confident37 Ų3739.5 Ų39.523%0.22723%0.226CC..Hα-helixtrans-64.2-46.1177.554.40000111.9F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.45Å; F9-T165 HydrophobicContact CE1-CG2 4.16Å; T96-T165 HydrophobicContact CG2-CG2 3.78Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 3.45Å; T161-T165 WeakPolarHBondContact O-CG2 3.34Å; T161-T165 PolarHBondContact O-N 2.86Å; T161-T165 PolarHBondContact O-OG1 3.49Å; A162-T165 PolarHBondContact O-OG1 3.28Å; A162-T165 VanDerWaalsContact O-OG1 3.12Å; T165-H168 PolarHBondContact O-N 2.98Å; T165-L169 WeakPolarHBondContact O-CB 3.5Å; T165-L169 WeakPolarHBondContact O-CG 3.01Å; T165-L169 PolarHBondContact O-N 2.84Å
166A87.1Confident86.6Confident55 Ų5540 Ų4046%0.45523%0.227SC..Hα-helixtrans-64.7-44178.900000111.4A162 H168 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.47Å; A162-A166 PolarHBondContact O-N 3.35Å; A166-H168 PolarHBondContact O-N 3.01Å; A166-L169 PolarHBondContact O-N 3.32Å; A166-L170 VanDerWaalsContact O-CB 3.27Å; A166-L170 WeakPolarHBondContact O-CB 3.38Å; A166-L170 PolarHBondContact O-N 3.4Å
167G87.9Confident87.1Confident6 Ų641.5 Ų41.56%0.06224%0.24CC..Hα-helixtrans-58.7-47.2176.400000112.4N163 L170 M171N163-G167 PolarHBondContact O-N 3.25Å; G167-L170 PolarHBondContact O-N 3.31Å; G167-M171 WeakPolarHBondContact O-CB 3.47Å; G167-M171 WeakPolarHBondContact O-CG 3.41Å; G167-M171 PolarHBondContact O-N 3.38Å
168H88.1Confident87.5Confident33 Ų3342.2 Ų42.215%0.15325%0.245CC..Hα-helixtrans-62.5-43.8176-89.9-86.3000113.5F9 G86 I164 T165 A166 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.11Å; F9-H168 HydrophobicContact CZ-CB 3.83Å; G86-H168 PolarHBondContact O-CE1 2.84Å; G86-H168 PolarHBondContact O-NE2 2.95Å; G86-H168 VanDerWaalsContact O-NE2 3.12Å; I164-H168 WeakPolarHBondContact O-CB 3.35Å; I164-H168 PolarHBondContact O-CD2 3.28Å; I164-H168 VanDerWaalsContact O-CD2 3.25Å; I164-H168 PolarHBondContact O-N 3.43Å; T165-H168 PolarHBondContact O-N 2.98Å; A166-H168 PolarHBondContact O-N 3.01Å; H168-L170 VanDerWaalsContact C-N 3.33Å; H168-M171 PolarHBondContact O-N 2.84Å; H168-H172 PolarHBondContact O-N 2.83Å
169L88.1Confident87.7Confident41 Ų4145.2 Ų45.222%0.21526%0.258CS..Hα-helixtrans-62.4-42.2175.6-77.4170.9000111.4L5 F6 F9 T165 A166 H172 L173L5-L169 HydrophobicContact CB-CD2 4.32Å; F6-L169 HydrophobicContact CD1-CD2 4.47Å; F6-L169 HydrophobicContact CE1-CD1 4.07Å; F6-L169 HydrophobicContact CE1-CD2 4.12Å; F6-L169 HydrophobicContact CZ-CD2 4.49Å; F9-L169 HydrophobicContact CE2-CD1 4.45Å; F9-L169 HydrophobicContact CE2-CD2 3.67Å; F9-L169 HydrophobicContact CE2-CG 3.77Å; F9-L169 HydrophobicContact CZ-CD2 4.31Å; F9-L169 HydrophobicContact CZ-CG 3.94Å; T165-L169 WeakPolarHBondContact O-CB 3.5Å; T165-L169 WeakPolarHBondContact O-CG 3.01Å; T165-L169 PolarHBondContact O-N 2.84Å; A166-L169 PolarHBondContact O-N 3.32Å; L169-H172 PolarHBondContact O-N 3.49Å; L169-L173 WeakPolarHBondContact O-CB 3.42Å; L169-L173 VanDerWaalsContact O-CG 3.32Å; L169-L173 WeakPolarHBondContact O-CG 3.28Å; L169-L173 PolarHBondContact O-N 3.27Å
170L90.3Very high87.9Confident77 Ų7742.8 Ų42.840%0.40326%0.26SS..Hα-helixtrans-67.3-42.3-179.2-154.5156.4000110.9A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.27Å; A166-L170 WeakPolarHBondContact O-CB 3.38Å; A166-L170 PolarHBondContact O-N 3.4Å; G167-L170 PolarHBondContact O-N 3.31Å; H168-L170 VanDerWaalsContact C-N 3.33Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.04Å; L170-L173 PolarHBondContact O-N 3.12Å; L170-I174 HydrophobicContact CD2-CD1 3.43Å; L170-I174 VanDerWaalsContact CD2-CD1 3.43Å; L170-I174 HydrophobicContact CD2-CG1 3.99Å; L170-I174 WeakPolarHBondContact O-CG1 3.24Å; L170-I174 PolarHBondContact O-N 3.24Å; L170-L199 HydrophobicContact CB-CD2 4.34Å; L170-L199 HydrophobicContact CD2-CD1 3.72Å; L170-L199 HydrophobicContact CD2-CD2 3.24Å; L170-L199 HydrophobicContact CD2-CG 4.09Å; L170-L199 HydrophobicContact CG-CD2 4.36Å
171M90.6Very high88.2Confident29 Ų2945.7 Ų45.714%0.14327%0.274CS..Hα-helixtrans-59-43172.3-75-172.8-69.200111.9L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 4Å; G167-M171 WeakPolarHBondContact O-CB 3.47Å; G167-M171 WeakPolarHBondContact O-CG 3.41Å; G167-M171 PolarHBondContact O-N 3.38Å; H168-M171 PolarHBondContact O-N 2.84Å; M171-G175 PolarHBondContact O-N 3.12Å; M171-L199 HydrophobicContact CB-CD2 4.3Å; M171-L199 HydrophobicContact CG-CD2 3.55Å; M171-L199 HydrophobicContact CG-CG 4.17Å; M171-T200 HydrophobicContact SD-CG2 3.84Å; M171-E203 HydrophobicContact CE-CG 4.17Å
172H89.4Confident88.4Confident79 Ų7948.1 Ų48.137%0.36629%0.292SS..Hα-helixtrans-67.5-42178.4-167.8-62.7000112.3L5 H168 L169 L170 G175 S176L5-H172 WeakPolarHBondContact CD2-CE1 3.37Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.06Å; H168-H172 PolarHBondContact O-N 2.83Å; L169-H172 PolarHBondContact O-N 3.49Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.04Å; H172-G175 PolarHBondContact O-N 3.09Å; H172-S176 WeakPolarHBondContact O-CB 3.24Å; H172-S176 PolarHBondContact O-N 3.15Å; H172-S176 PolarHBondContact O-OG 3.17Å
173L89.9Confident88.6Confident88 Ų8851.9 Ų51.946%0.46131%0.31SS..Hα-helixtrans-63.8-47.9178.5-74.6171.1000111.2L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 3.87Å; L5-L173 HydrophobicContact CD2-CD2 4.47Å; L169-L173 WeakPolarHBondContact O-CB 3.42Å; L169-L173 VanDerWaalsContact O-CG 3.32Å; L169-L173 WeakPolarHBondContact O-CG 3.28Å; L169-L173 PolarHBondContact O-N 3.27Å; L170-L173 PolarHBondContact O-N 3.12Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 3.34Å; L173-S176 PolarHBondContact O-N 3.36Å; L173-S176 PolarHBondContact O-OG 2.93Å; L173-A177 PolarHBondContact O-N 3.44Å
174I91.3Very high88.6Confident32 Ų3254 Ų5416%0.16432%0.321CS..Hα-helixtrans-64.6-39.9176.6-64.8-172.2000110.7L170 S176 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.43Å; L170-I174 VanDerWaalsContact CD2-CD1 3.43Å; L170-I174 HydrophobicContact CD2-CG1 3.99Å; L170-I174 WeakPolarHBondContact O-CG1 3.24Å; L170-I174 PolarHBondContact O-N 3.24Å; I174-S176 PolarHBondContact O-N 2.96Å; I174-A177 WeakPolarHBondContact O-CB 3.33Å; I174-A177 PolarHBondContact O-N 3.01Å; I174-A177 VanDerWaalsContact O-N 3.16Å; I174-T178 HydrophobicContact CG2-CG2 4.42Å; I174-T178 WeakPolarHBondContact O-CG2 3.26Å; I174-T178 PolarHBondContact O-N 2.95Å; I174-I192 HydrophobicContact CG2-CG2 3.81Å; I174-I195 HydrophobicContact CD1-CG2 3.99Å; I174-L196 HydrophobicContact CB-CD1 4.2Å; I174-L196 HydrophobicContact CG2-CB 3.91Å; I174-L196 HydrophobicContact CG2-CD1 3.98Å; I174-L196 HydrophobicContact CG2-CG 4.5Å; I174-L199 HydrophobicContact CD1-CD2 4.16Å
175G89.9Confident88.8Confident17 Ų1758.2 Ų58.218%0.17534%0.344CS..Hα-helixtrans-61.4-39.2174.700000113.5M171 H172 L173 A177 T178 L179M171-G175 PolarHBondContact O-N 3.12Å; H172-G175 PolarHBondContact O-N 3.09Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 3.34Å; G175-A177 VanDerWaalsContact C-N 3.34Å; G175-T178 PolarHBondContact O-OG1 3.13Å; G175-L179 PolarHBondContact O-N 3.31Å; G175-L179 VanDerWaalsContact O-N 3.15Å
176S88.9Confident88.8Confident53 Ų5363.5 Ų63.537%0.37137%0.369SS..Hα-helixtrans-68.6-35.417471.70000112H172 L173 I174 L179 A180H172-S176 WeakPolarHBondContact O-CB 3.24Å; H172-S176 PolarHBondContact O-N 3.15Å; H172-S176 PolarHBondContact O-OG 3.17Å; L173-S176 PolarHBondContact O-N 3.36Å; L173-S176 PolarHBondContact O-OG 2.93Å; I174-S176 PolarHBondContact O-N 2.96Å; S176-L179 PolarHBondContact O-N 3.49Å; S176-A180 WeakPolarHBondContact O-CB 3.43Å; S176-A180 PolarHBondContact O-N 3.36Å
177A88.3Confident88.9Confident38 Ų3865.3 Ų65.331%0.31438%0.377SS..Hα-helixtrans-69-39.817600000112.1L173 I174 G175 L179 A180 M181L173-A177 PolarHBondContact O-N 3.44Å; I174-A177 WeakPolarHBondContact O-CB 3.33Å; I174-A177 PolarHBondContact O-N 3.01Å; I174-A177 VanDerWaalsContact O-N 3.16Å; G175-A177 VanDerWaalsContact C-N 3.34Å; A177-L179 VanDerWaalsContact C-N 3.35Å; A177-A180 PolarHBondContact O-N 3.37Å; A177-M181 WeakPolarHBondContact O-CB 3.27Å; A177-M181 WeakPolarHBondContact O-CG 3.25Å; A177-M181 PolarHBondContact O-N 3.27Å
178T90.7Very high88.9Confident16 Ų1666.8 Ų66.810%0.09839%0.386CS..Hα-helixtrans-62.5-43.4174.456.60000111I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.42Å; I174-T178 WeakPolarHBondContact O-CG2 3.26Å; I174-T178 PolarHBondContact O-N 2.95Å; G175-T178 PolarHBondContact O-OG1 3.13Å; T178-M181 PolarHBondContact O-N 3.09Å; T178-S182 WeakPolarHBondContact O-CB 3.32Å; T178-S182 PolarHBondContact O-N 2.75Å; T178-I192 HydrophobicContact CG2-CB 3.87Å; T178-I192 HydrophobicContact CG2-CG2 3.38Å
179L89.7Confident89.1Confident124 Ų12466.4 Ų66.465%0.64939%0.386SS*.Hα-helixtrans-61.3-46.5175.9-79.9163000111.8G175 S176 A177 S182G175-L179 PolarHBondContact O-N 3.31Å; G175-L179 VanDerWaalsContact O-N 3.15Å; S176-L179 PolarHBondContact O-N 3.49Å; A177-L179 VanDerWaalsContact C-N 3.35Å; L179-S182 WeakPolarHBondContact O-CB 3.4Å; L179-S182 PolarHBondContact O-N 3.03Å; L179-S182 PolarHBondContact O-OG 2.89Å
180A88.6Confident89.3Confident50 Ų5070.1 Ų70.141%0.41341%0.405SS..Hα-helixtrans-62.6-45177.700000112.1S176 A177 S182 T183S176-A180 WeakPolarHBondContact O-CB 3.43Å; S176-A180 PolarHBondContact O-N 3.36Å; A177-A180 PolarHBondContact O-N 3.37Å; A180-S182 VanDerWaalsContact C-N 3.29Å; A180-S182 PolarHBondContact O-N 2.98Å; A180-T183 PolarHBondContact O-N 3.48Å; A180-T183 PolarHBondContact O-OG1 2.87Å
181M87.3Confident89.4Confident63 Ų6371.5 Ų71.531%0.3141%0.412SS..Hα-helixtrans-70-24.5-179.2-67.6-64.4114.900113.3A177 T178 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.27Å; A177-M181 WeakPolarHBondContact O-CG 3.25Å; A177-M181 PolarHBondContact O-N 3.27Å; T178-M181 PolarHBondContact O-N 3.09Å; M181-T183 PolarHBondContact O-N 3.36Å; M181-T183 VanDerWaalsContact O-N 3.16Å; M181-I184 HydrophobicContact CE-CD1 3.62Å; M181-I184 PolarHBondContact O-N 3.38Å; M181-I184 HydrophobicContact SD-CD1 4.11Å; M181-N185 PolarHBondContact O-N 3.28Å; M181-N185 VanDerWaalsContact O-N 3.09Å; M181-T189 PolarHBondContact O-OG1 2.85Å; M181-T189 VanDerWaalsContact O-OG1 3.08Å; M181-I192 HydrophobicContact CB-CD1 4.16Å; M181-I192 HydrophobicContact CG-CD1 3.64Å
182S87.6Confident89.6Confident65 Ų6572 Ų7246%0.45542%0.415SS..Hα-helixtrans-57.7-29.517776.80000112.9T178 L179 A180 T189T178-S182 WeakPolarHBondContact O-CB 3.32Å; T178-S182 PolarHBondContact O-N 2.75Å; L179-S182 WeakPolarHBondContact O-CB 3.4Å; L179-S182 PolarHBondContact O-N 3.03Å; L179-S182 PolarHBondContact O-OG 2.89Å; A180-S182 VanDerWaalsContact C-N 3.29Å; A180-S182 PolarHBondContact O-N 2.98Å; S182-T189 VanDerWaalsContact CA-OG1 3.31Å; S182-T189 WeakPolarHBondContact CA-OG1 3.5Å; S182-T189 PolarHBondContact N-OG1 3.46Å
183T87.2Confident89.7Confident119 Ų11973.2 Ų73.273%0.7342%0.42SS*.THydrogen-bonded Turntrans-80.7-19.2178.566.50000113.7A180 M181A180-T183 PolarHBondContact O-N 3.48Å; A180-T183 PolarHBondContact O-OG1 2.87Å; M181-T183 PolarHBondContact O-N 3.36Å; M181-T183 VanDerWaalsContact O-N 3.16Å
184I87.8Confident89.9Confident105 Ų10572.6 Ų72.654%0.53842%0.42SS..THydrogen-bonded Turntrans-98.6-60.3-172.9-56.1174.5000110.3M181M181-I184 HydrophobicContact CE-CD1 3.62Å; M181-I184 PolarHBondContact O-N 3.38Å; M181-I184 HydrophobicContact SD-CD1 4.11Å
185N88.4Confident90.1Very high96 Ų9675 Ų7551%0.51343%0.432SS..  trans-148.1126.4-172.6-84.8-22.1000111.5M181 S188 T189M181-N185 PolarHBondContact O-N 3.28Å; M181-N185 VanDerWaalsContact O-N 3.09Å; N185-S188 VanDerWaalsContact CB-OG 3.26Å; N185-S188 WeakPolarHBondContact CB-OG 3.48Å; N185-S188 PolarHBondContact O-OG 3.44Å; N185-T189 PolarHBondContact O-N 3.01Å; N185-T189 PolarHBondContact O-OG1 3.45Å
186L88.3Confident90.3Very high147 Ų14775.6 Ų75.677%0.7743%0.431SS*.Hα-helixtrans-62.4-45.7177.3-161.483.6000114.3S188 T189 L190L186-S188 PolarHBondContact O-N 3.47Å; L186-T189 WeakPolarHBondContact O-CB 3.5Å; L186-T189 PolarHBondContact O-N 2.9Å; L186-L190 PolarHBondContact O-N 3.32Å; L186-L190 VanDerWaalsContact O-N 3.14Å
187P89.5Confident90.5Very high93 Ų9376.8 Ų76.860%0.60443%0.432SS*.Hα-helixtrans-68.7-36.9-174.725.4-33.7000112.9T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.32Å; P187-L190 PolarHBondContact O-N 2.88Å; P187-I191 PolarHBondContact O-N 2.99Å
188S87.7Confident90.8Very high38 Ų3880.8 Ų80.827%0.26645%0.448SS..Hα-helixtrans-66.8-35.4174.2500000112N185 L186 L190 I191 I192N185-S188 VanDerWaalsContact CB-OG 3.26Å; N185-S188 WeakPolarHBondContact CB-OG 3.48Å; N185-S188 PolarHBondContact O-OG 3.44Å; L186-S188 PolarHBondContact O-N 3.47Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 3.43Å; S188-I191 PolarHBondContact O-N 3.31Å; S188-I192 WeakPolarHBondContact O-CG1 3.42Å; S188-I192 PolarHBondContact O-N 2.59Å; S188-I192 VanDerWaalsContact O-N 3.12Å
189T92.3Very high91Very high24 Ų2481 Ų8115%0.14745%0.448CS..Hα-helixtrans-62.2-41.6175.8-58.10000111.3M181 S182 N185 L186 P187 I191 I192 F193M181-T189 PolarHBondContact O-OG1 2.85Å; M181-T189 VanDerWaalsContact O-OG1 3.08Å; S182-T189 VanDerWaalsContact CA-OG1 3.31Å; S182-T189 WeakPolarHBondContact CA-OG1 3.5Å; S182-T189 PolarHBondContact N-OG1 3.46Å; N185-T189 PolarHBondContact O-N 3.01Å; N185-T189 PolarHBondContact O-OG1 3.45Å; L186-T189 WeakPolarHBondContact O-CB 3.5Å; L186-T189 PolarHBondContact O-N 2.9Å; P187-T189 VanDerWaalsContact C-N 3.32Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 2.97Å; T189-I192 PolarHBondContact O-N 3.31Å; T189-F193 VanDerWaalsContact O-CB 3.27Å; T189-F193 WeakPolarHBondContact O-CB 3.37Å; T189-F193 PolarHBondContact O-N 2.77Å
190L91.8Very high91Very high119 Ų11977.6 Ų77.662%0.62343%0.432SS*.Hα-helixtrans-59.9-42.4177-161.986000111.5L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 3.32Å; L186-L190 VanDerWaalsContact O-N 3.14Å; P187-L190 PolarHBondContact O-N 2.88Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 3.43Å; L190-F193 PolarHBondContact O-N 3.05Å; L190-T194 WeakPolarHBondContact O-CG2 3.31Å; L190-T194 PolarHBondContact O-N 2.95Å; L190-T194 PolarHBondContact O-OG1 2.87Å
191I93.3Very high91.2Very high106 Ų10680.1 Ų80.154%0.54444%0.438SS..Hα-helixtrans-64.6-44.4179.1-63.2165.3000111.2P187 S188 T189 F193 T194 I195P187-I191 PolarHBondContact O-N 2.99Å; S188-I191 PolarHBondContact O-N 3.31Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 2.97Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 3.41Å; I191-T194 PolarHBondContact O-N 2.99Å; I191-T194 PolarHBondContact O-OG1 3.37Å; I191-I195 HydrophobicContact CG2-CD1 4.34Å; I191-I195 WeakPolarHBondContact O-CG1 3.46Å; I191-I195 PolarHBondContact O-N 3.42Å
192I93.4Very high91.5Very high41 Ų4181.9 Ų81.921%0.2145%0.448CS..Hα-helixtrans-70.6-33.5179.8-57.1167.1000110.2I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.81Å; T178-I192 HydrophobicContact CG2-CB 3.87Å; T178-I192 HydrophobicContact CG2-CG2 3.38Å; M181-I192 HydrophobicContact CB-CD1 4.16Å; M181-I192 HydrophobicContact CG-CD1 3.64Å; S188-I192 WeakPolarHBondContact O-CG1 3.42Å; S188-I192 PolarHBondContact O-N 2.59Å; S188-I192 VanDerWaalsContact O-N 3.12Å; T189-I192 PolarHBondContact O-N 3.31Å; I192-I195 WeakPolarHBondContact O-CB 3.27Å; I192-I195 PolarHBondContact O-N 2.96Å; I192-L196 PolarHBondContact O-N 2.97Å
193F92.9Very high91.6Very high104 Ų10479.4 Ų79.446%0.45643%0.429SS..Hα-helixtrans-66.5-38.9175.1-174.4-106.4000112.7T189 L190 I191 I195 L196 I197T189-F193 VanDerWaalsContact O-CB 3.27Å; T189-F193 WeakPolarHBondContact O-CB 3.37Å; T189-F193 PolarHBondContact O-N 2.77Å; L190-F193 PolarHBondContact O-N 3.05Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 3.41Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 2.94Å; F193-L196 HydrophobicContact CD2-CD2 4.42Å; F193-L196 WeakPolarHBondContact O-CB 3.35Å; F193-L196 PolarHBondContact O-N 2.8Å; F193-I197 HydrophobicContact CD1-CD1 3.84Å; F193-I197 HydrophobicContact CE1-CD1 3.48Å; F193-I197 VanDerWaalsContact CE1-CD1 3.48Å; F193-I197 HydrophobicContact CE1-CG1 4.27Å; F193-I197 HydrophobicContact CZ-CD1 4.06Å; F193-I197 HydrophobicContact CZ-CG1 4.44Å; F193-I197 PolarHBondContact O-N 3.02Å
194T94Very high91.8Very high75 Ų7577.8 Ų77.846%0.4642%0.415SS..Hα-helixtrans-65-37173.356.90000111.7L190 I191 L196 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.31Å; L190-T194 PolarHBondContact O-N 2.95Å; L190-T194 PolarHBondContact O-OG1 2.87Å; I191-T194 PolarHBondContact O-N 2.99Å; I191-T194 PolarHBondContact O-OG1 3.37Å; T194-L196 VanDerWaalsContact C-N 3.34Å; T194-I197 PolarHBondContact O-N 3.16Å; T194-L198 PolarHBondContact O-N 3.48Å
195I94.6Very high92Very high81 Ų8174.9 Ų74.942%0.41541%0.407SS..Hα-helixtrans-62.1-42172.7-65.4166.5000110.9I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 3.99Å; I191-I195 HydrophobicContact CG2-CD1 4.34Å; I191-I195 WeakPolarHBondContact O-CG1 3.46Å; I191-I195 PolarHBondContact O-N 3.42Å; I192-I195 WeakPolarHBondContact O-CB 3.27Å; I192-I195 PolarHBondContact O-N 2.96Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 2.94Å; I195-I197 VanDerWaalsContact C-N 3.35Å; I195-I197 PolarHBondContact O-N 2.97Å; I195-L198 PolarHBondContact O-N 3.35Å; I195-L199 WeakPolarHBondContact O-CB 3.39Å; I195-L199 PolarHBondContact O-N 3.46Å
196L93.8Very high92.2Very high31 Ų3172.2 Ų72.216%0.16239%0.394CS..Hα-helixtrans-59.9-44176.2-177.166.9000111.7I174 I192 F193 T194 L199 T200I174-L196 HydrophobicContact CB-CD1 4.2Å; I174-L196 HydrophobicContact CG2-CB 3.91Å; I174-L196 HydrophobicContact CG2-CD1 3.98Å; I174-L196 HydrophobicContact CG2-CG 4.5Å; I192-L196 PolarHBondContact O-N 2.97Å; F193-L196 HydrophobicContact CD2-CD2 4.42Å; F193-L196 WeakPolarHBondContact O-CB 3.35Å; F193-L196 PolarHBondContact O-N 2.8Å; T194-L196 VanDerWaalsContact C-N 3.34Å; L196-L199 PolarHBondContact O-N 3.15Å; L196-T200 WeakPolarHBondContact O-CG2 3.24Å; L196-T200 PolarHBondContact O-N 2.84Å
197I93.3Very high92.2Very high77 Ų7765.4 Ų65.440%0.39536%0.359SS..Hα-helixtrans-63-42.8176-66.9165.4000111.1F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.84Å; F193-I197 HydrophobicContact CE1-CD1 3.48Å; F193-I197 VanDerWaalsContact CE1-CD1 3.48Å; F193-I197 HydrophobicContact CE1-CG1 4.27Å; F193-I197 HydrophobicContact CZ-CD1 4.06Å; F193-I197 HydrophobicContact CZ-CG1 4.44Å; F193-I197 PolarHBondContact O-N 3.02Å; T194-I197 PolarHBondContact O-N 3.16Å; I195-I197 VanDerWaalsContact C-N 3.35Å; I195-I197 PolarHBondContact O-N 2.97Å; I197-L199 VanDerWaalsContact C-N 3.29Å; I197-L199 PolarHBondContact O-N 2.96Å; I197-T200 PolarHBondContact O-N 3.35Å; I197-T200 PolarHBondContact O-OG1 3.02Å; I197-I201 HydrophobicContact CG2-CD1 4.12Å; I197-I201 WeakPolarHBondContact O-CG1 3.42Å; I197-I201 PolarHBondContact O-N 3.19Å
198L95.1Very high92.2Very high122 Ų12266.3 Ų66.364%0.63936%0.358SS*.Hα-helixtrans-63.5-39.5178.5-174.464.6000111.4T194 I195 I201 L202T194-L198 PolarHBondContact O-N 3.48Å; I195-L198 PolarHBondContact O-N 3.35Å; L198-I201 PolarHBondContact O-N 2.89Å; L198-L202 PolarHBondContact O-N 3.47Å
199L93.6Very high92.3Very high22 Ų2269.1 Ų69.112%0.11537%0.369CS..Hα-helixtrans-64.3-42.2176.9-178.172.7000112.2L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.34Å; L170-L199 HydrophobicContact CD2-CD1 3.72Å; L170-L199 HydrophobicContact CD2-CD2 3.24Å; L170-L199 HydrophobicContact CD2-CG 4.09Å; L170-L199 HydrophobicContact CG-CD2 4.36Å; M171-L199 HydrophobicContact CB-CD2 4.3Å; M171-L199 HydrophobicContact CG-CD2 3.55Å; M171-L199 HydrophobicContact CG-CG 4.17Å; I174-L199 HydrophobicContact CD1-CD2 4.16Å; I195-L199 WeakPolarHBondContact O-CB 3.39Å; I195-L199 PolarHBondContact O-N 3.46Å; L196-L199 PolarHBondContact O-N 3.15Å; I197-L199 VanDerWaalsContact C-N 3.29Å; I197-L199 PolarHBondContact O-N 2.96Å; L199-I201 VanDerWaalsContact C-N 3.3Å; L199-I201 PolarHBondContact O-N 3.27Å; L199-L202 HydrophobicContact CD1-CD2 4.47Å; L199-L202 WeakPolarHBondContact O-CB 3.44Å; L199-L202 PolarHBondContact O-N 3.47Å; L199-E203 PolarHBondContact O-N 2.89Å
200T91.5Very high92.1Very high51 Ų5168.5 Ų68.531%0.31337%0.365SS..Hα-helixtrans-64.4-38.1178.757.30000111.4M171 L196 I197 L202 E203 I204M171-T200 HydrophobicContact SD-CG2 3.84Å; L196-T200 WeakPolarHBondContact O-CG2 3.24Å; L196-T200 PolarHBondContact O-N 2.84Å; I197-T200 PolarHBondContact O-N 3.35Å; I197-T200 PolarHBondContact O-OG1 3.02Å; T200-L202 VanDerWaalsContact C-N 3.35Å; T200-E203 PolarHBondContact O-N 3.44Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.37Å; T200-I204 PolarHBondContact O-N 3.48Å
201I92.9Very high92Very high103 Ų10362.9 Ų62.953%0.52834%0.335SS..Hα-helixtrans-62.4-43.9173.7-65.4166.6000110.8I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.12Å; I197-I201 WeakPolarHBondContact O-CG1 3.42Å; I197-I201 PolarHBondContact O-N 3.19Å; L198-I201 PolarHBondContact O-N 2.89Å; L199-I201 VanDerWaalsContact C-N 3.3Å; L199-I201 PolarHBondContact O-N 3.27Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.02Å; I201-I204 PolarHBondContact O-N 3.32Å; I201-A205 PolarHBondContact O-N 3.43Å
202L92.1Very high91.8Very high100 Ų10062.8 Ų62.852%0.52433%0.329SS..Hα-helixtrans-59.6-45.7176179.968.2000111L198 L199 T200 I204 A205 V206L198-L202 PolarHBondContact O-N 3.47Å; L199-L202 HydrophobicContact CD1-CD2 4.47Å; L199-L202 WeakPolarHBondContact O-CB 3.44Å; L199-L202 PolarHBondContact O-N 3.47Å; T200-L202 VanDerWaalsContact C-N 3.35Å; L202-I204 PolarHBondContact O-N 3.17Å; L202-A205 WeakPolarHBondContact O-CB 3.41Å; L202-A205 PolarHBondContact O-N 3.19Å; L202-A205 VanDerWaalsContact O-N 3.12Å; L202-V206 HydrophobicContact CD1-CG2 4.38Å; L202-V206 HydrophobicContact CG-CG2 4.32Å; L202-V206 WeakPolarHBondContact O-CG2 3.34Å; L202-V206 PolarHBondContact O-N 3.41Å
203E90.9Very high91.7Very high13 Ų1362.8 Ų62.86%0.06133%0.331CS..Hα-helixtrans-67.1-36.4-176.8-161.865.2-161.900112.1L87 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.43Å; L87-E203 HydrophobicContact CD2-CB 4.18Å; L87-E203 HydrophobicContact CD2-CG 3.4Å; M171-E203 HydrophobicContact CE-CG 4.17Å; L199-E203 PolarHBondContact O-N 2.89Å; T200-E203 PolarHBondContact O-N 3.44Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.02Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.45Å; E203-V206 PolarHBondContact O-N 3.12Å; E203-A207 VanDerWaalsContact O-CB 3.31Å; E203-A207 WeakPolarHBondContact O-CB 3.28Å; E203-A207 PolarHBondContact O-N 3.13Å
204I90.9Very high91.3Very high86 Ų8658 Ų5844%0.44131%0.31SS..Hα-helixtrans-59.5-43.4171.6-67.4164.7000110.6L87 T200 I201 L202 L208L87-I204 HydrophobicContact CD1-CB 4.2Å; L87-I204 HydrophobicContact CD1-CG1 3.61Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.37Å; T200-I204 PolarHBondContact O-N 3.48Å; I201-I204 PolarHBondContact O-N 3.32Å; L202-I204 PolarHBondContact O-N 3.17Å; I204-L208 PolarHBondContact O-N 3.04Å
205A91.8Very high91.1Very high44 Ų4454.4 Ų54.436%0.36429%0.288SS..Hα-helixtrans-65.6-45.6177.300000111.7I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 3.43Å; L202-A205 WeakPolarHBondContact O-CB 3.41Å; L202-A205 PolarHBondContact O-N 3.19Å; L202-A205 VanDerWaalsContact O-N 3.12Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.45Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.23Å; A205-L208 PolarHBondContact O-N 2.91Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.44Å; A205-I209 PolarHBondContact O-N 2.63Å
206V91.6Very high90.7Very high39 Ų3953 Ų5324%0.23628%0.281CS..Hα-helixtrans-61.1-42.3178.2172.80000111.1N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.1Å; L202-V206 HydrophobicContact CD1-CG2 4.38Å; L202-V206 HydrophobicContact CG-CG2 4.32Å; L202-V206 WeakPolarHBondContact O-CG2 3.34Å; L202-V206 PolarHBondContact O-N 3.41Å; E203-V206 PolarHBondContact O-N 3.12Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 2.9Å; V206-I209 PolarHBondContact O-N 3.03Å; V206-Q210 WeakPolarHBondContact O-CB 3.47Å; V206-Q210 PolarHBondContact O-N 3.36Å
207A89.1Confident90.4Very high5 Ų553.3 Ų53.34%0.04128%0.282CS..Hα-helixtrans-57.6-41.9178.400000112.8N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.93Å; L87-A207 HydrophobicContact CD1-CB 4.12Å; E203-A207 VanDerWaalsContact O-CB 3.31Å; E203-A207 WeakPolarHBondContact O-CB 3.28Å; E203-A207 PolarHBondContact O-N 3.13Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.23Å; A207-A211 PolarHBondContact O-N 3.39Å
208L88.8Confident89.9Confident112 Ų11250 Ų5059%0.58627%0.266SS*.Hα-helixtrans-75.9-43.8179.4-170.9143.2000112.1I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 3.04Å; A205-L208 PolarHBondContact O-N 2.91Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 2.9Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 2.78Å; L208-A211 PolarHBondContact O-N 2.95Å; L208-Y212 PolarHBondContact O-N 2.93Å
209I90.6Very high89.5Confident96 Ų9644.4 Ų44.449%0.49224%0.237SC..Hα-helixtrans-61.1-40.4177.3-68.5166.7000110.3A205 V206 A211 Y212 V213A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.44Å; A205-I209 PolarHBondContact O-N 2.63Å; V206-I209 PolarHBondContact O-N 3.03Å; I209-A211 PolarHBondContact O-N 3.21Å; I209-Y212 WeakPolarHBondContact O-CB 3.42Å; I209-Y212 PolarHBondContact O-N 3.4Å; I209-V213 HydrophobicContact CG2-CG2 4.04Å; I209-V213 WeakPolarHBondContact O-CG2 3.41Å; I209-V213 PolarHBondContact O-N 3.48Å
210Q88.8Confident89Confident11 Ų1146.8 Ų46.85%0.05125%0.249CC..Hα-helixtrans-65.9-38.6-178-174.162.77.800112.2R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact C-NE2 3.32Å; L160-Q210 HydrophobicContact CB-CG 4.15Å; L160-Q210 HydrophobicContact CD1-CG 3.7Å; L160-Q210 HydrophobicContact CG-CG 3.75Å; L160-Q210 VanDerWaalsContact N-NE2 3.11Å; V206-Q210 WeakPolarHBondContact O-CB 3.47Å; V206-Q210 PolarHBondContact O-N 3.36Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 2.78Å; Q210-Y212 VanDerWaalsContact C-N 3.34Å; Q210-F214 WeakPolarHBondContact O-CB 3.47Å; Q210-F214 PolarHBondContact O-N 3.39Å
211A89.3Confident88.4Confident1 Ų145.3 Ų45.31%0.00824%0.238CC..Hα-helixtrans-62.2-42.8172.500000111.5I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.47Å; I79-A211 HydrophobicContact CB-CB 4.07Å; I79-A211 HydrophobicContact CG2-CB 3.75Å; A80-A211 HydrophobicContact CB-CB 3.91Å; A207-A211 PolarHBondContact O-N 3.39Å; L208-A211 PolarHBondContact O-N 2.95Å; I209-A211 PolarHBondContact O-N 3.21Å; A211-T215 WeakPolarHBondContact O-CG2 3.43Å; A211-T215 PolarHBondContact O-N 3.48Å; A211-T215 PolarHBondContact O-OG1 3.42Å
212Y89.5Confident87.8Confident105 Ų10540.5 Ų40.541%0.41221%0.213SC..Hα-helixtrans-63.4-50.9176.7177-101.4000112.3I76 L208 I209 Q210 F214 T215 L216I76-Y212 HydrophobicContact CD1-CD2 4.23Å; L208-Y212 PolarHBondContact O-N 2.93Å; I209-Y212 WeakPolarHBondContact O-CB 3.42Å; I209-Y212 PolarHBondContact O-N 3.4Å; Q210-Y212 VanDerWaalsContact C-N 3.34Å; Y212-F214 VanDerWaalsContact C-N 3.29Å; Y212-F214 PolarHBondContact O-N 3.22Å; Y212-T215 PolarHBondContact O-N 3.06Å; Y212-T215 PolarHBondContact O-OG1 2.89Å; Y212-L216 HydrophobicContact CE1-CD1 3.65Å; Y212-L216 HydrophobicContact CE2-CD1 4.45Å; Y212-L216 WeakPolarHBondContact O-CB 3.4Å; Y212-L216 PolarHBondContact O-N 3.35Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.41Å
213V89.5Confident87.2Confident40 Ų4039.8 Ų39.824%0.24221%0.207CC..Hα-helixtrans-61.6-38.3179.9173.20000111.4I209 L217I209-V213 HydrophobicContact CG2-CG2 4.04Å; I209-V213 WeakPolarHBondContact O-CG2 3.41Å; I209-V213 PolarHBondContact O-N 3.48Å; V213-L217 HydrophobicContact CG1-CD1 3.93Å; V213-L217 WeakPolarHBondContact O-CG 3.45Å; V213-L217 PolarHBondContact O-N 2.85Å; V213-L217 VanDerWaalsContact O-N 3.07Å
214F86.6Confident86.5Confident3 Ų342.6 Ų42.61%0.01322%0.223CC..Hα-helixtrans-57.3-53.6176-172.6-80.3000111.2L75 I79 A105 L108 L156 L160 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.12Å; L75-F214 HydrophobicContact CD2-CD1 3.83Å; L75-F214 HydrophobicContact CD2-CE1 3.76Å; L75-F214 HydrophobicContact CG-CD1 4.33Å; L75-F214 HydrophobicContact CG-CE1 4.21Å; I79-F214 HydrophobicContact CD1-CB 4.26Å; I79-F214 HydrophobicContact CD1-CD1 3.37Å; I79-F214 HydrophobicContact CD1-CD2 4.34Å; I79-F214 HydrophobicContact CD1-CE1 3.72Å; I79-F214 HydrophobicContact CD1-CG 3.74Å; I79-F214 HydrophobicContact CD1-CZ 4.34Å; A105-F214 HydrophobicContact CB-CE2 4.35Å; A105-F214 HydrophobicContact CB-CZ 4.13Å; L108-F214 HydrophobicContact CD1-CE1 4.06Å; L156-F214 HydrophobicContact CD1-CD2 4.23Å; L156-F214 HydrophobicContact CD2-CD1 4.15Å; L156-F214 HydrophobicContact CD2-CD2 3.29Å; L156-F214 HydrophobicContact CD2-CE1 4.03Å; L156-F214 HydrophobicContact CD2-CE2 3.15Å; L156-F214 HydrophobicContact CD2-CG 3.81Å; L156-F214 HydrophobicContact CD2-CZ 3.55Å; L156-F214 HydrophobicContact CG-CD2 3.43Å; L156-F214 VanDerWaalsContact CG-CD2 3.43Å; L156-F214 HydrophobicContact CG-CE2 3.63Å; L156-F214 HydrophobicContact CG-CG 4.16Å; L156-F214 HydrophobicContact CG-CZ 4.48Å; L160-F214 HydrophobicContact CD1-CD2 4.12Å; Q210-F214 WeakPolarHBondContact O-CB 3.47Å; Q210-F214 PolarHBondContact O-N 3.39Å; Y212-F214 VanDerWaalsContact C-N 3.29Å; Y212-F214 PolarHBondContact O-N 3.22Å; F214-L217 PolarHBondContact O-N 2.95Å; F214-V218 HydrophobicContact CD1-CG2 4.37Å; F214-V218 HydrophobicContact CE1-CG2 4.18Å; F214-V218 WeakPolarHBondContact O-CG2 3.35Å; F214-V218 PolarHBondContact O-N 3.43Å
215T88.4Confident85.6Confident0 Ų040 Ų400%021%0.21CC..Hα-helixtrans-72.3-33.3-175.761.10000112.7M57 L75 I76 A211 Y212 V218 S219M57-T215 VanDerWaalsContact CE-OG1 3.23Å; M57-T215 WeakPolarHBondContact CE-OG1 3.36Å; L75-T215 HydrophobicContact CB-CG2 4.2Å; L75-T215 HydrophobicContact CD2-CG2 3.53Å; L75-T215 HydrophobicContact CG-CG2 3.83Å; I76-T215 VanDerWaalsContact CA-CG2 3.47Å; I76-T215 HydrophobicContact CB-CG2 3.48Å; I76-T215 VanDerWaalsContact CB-CG2 3.48Å; I76-T215 HydrophobicContact CG1-CG2 4Å; A211-T215 WeakPolarHBondContact O-CG2 3.43Å; A211-T215 PolarHBondContact O-N 3.48Å; A211-T215 PolarHBondContact O-OG1 3.42Å; Y212-T215 PolarHBondContact O-N 3.06Å; Y212-T215 PolarHBondContact O-OG1 2.89Å; T215-V218 PolarHBondContact O-N 3.46Å; T215-S219 WeakPolarHBondContact O-CB 3.19Å; T215-S219 PolarHBondContact O-N 3.24Å
216L87.5Confident84.4Confident51 Ų5139.3 Ų39.327%0.26720%0.201SC..Hα-helixtrans-63.2-45.2174.6-175.3148.6000111.5Y212 V218 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.65Å; Y212-L216 HydrophobicContact CE2-CD1 4.45Å; Y212-L216 WeakPolarHBondContact O-CB 3.4Å; Y212-L216 PolarHBondContact O-N 3.35Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.41Å; L216-V218 PolarHBondContact O-N 3.32Å; L216-S219 CarbonylContact O-C 3.59Å; L216-S219 WeakPolarHBondContact O-CB 3.42Å; L216-S219 PolarHBondContact O-N 3.3Å; L216-S219 VanDerWaalsContact O-N 3.14Å; L216-S219 PolarHBondContact O-OG 2.99Å; L216-L220 PolarHBondContact O-N 2.79Å
217L85.8Confident84Confident38 Ų3839.3 Ų39.320%0.19920%0.199CC..Hα-helixtrans-63.2-42.7177.8-76.3167.7000111.5L156 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 3.98Å; L156-L217 HydrophobicContact CD1-CD1 3.35Å; L156-L217 HydrophobicContact CD1-CG 4.29Å; V213-L217 HydrophobicContact CG1-CD1 3.93Å; V213-L217 WeakPolarHBondContact O-CG 3.45Å; V213-L217 PolarHBondContact O-N 2.85Å; V213-L217 VanDerWaalsContact O-N 3.07Å; F214-L217 PolarHBondContact O-N 2.95Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3.17Å; L217-L220 PolarHBondContact O-N 3.09Å; L217-Y221 HydrophobicContact CB-CE2 4.17Å; L217-Y221 WeakPolarHBondContact O-CD2 3.39Å; L217-Y221 WeakPolarHBondContact O-CE2 3.41Å; L217-Y221 PolarHBondContact O-N 2.98Å
218V84.4Confident83.8Confident7 Ų741.1 Ų41.14%0.04221%0.208CC..Hα-helixtrans-59-41.2172.9177.90000111.4L72 L108 L156 F214 T215 L216 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.2Å; L72-V218 HydrophobicContact CD2-CG1 3.84Å; L108-V218 HydrophobicContact CB-CG1 4.39Å; L156-V218 HydrophobicContact CD2-CG2 4.37Å; F214-V218 HydrophobicContact CD1-CG2 4.37Å; F214-V218 HydrophobicContact CE1-CG2 4.18Å; F214-V218 WeakPolarHBondContact O-CG2 3.35Å; F214-V218 PolarHBondContact O-N 3.43Å; T215-V218 PolarHBondContact O-N 3.46Å; L216-V218 PolarHBondContact O-N 3.32Å; V218-Y221 PolarHBondContact O-N 3.32Å; V218-L222 PolarHBondContact O-N 3.12Å
219S85.2Confident83.5Confident5 Ų537.2 Ų37.24%0.03519%0.186CC..Hα-helixtrans-66.5-38177.484.80000112.4H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact NE2-O 3.47Å; T215-S219 WeakPolarHBondContact O-CB 3.19Å; T215-S219 PolarHBondContact O-N 3.24Å; L216-S219 CarbonylContact O-C 3.59Å; L216-S219 WeakPolarHBondContact O-CB 3.42Å; L216-S219 PolarHBondContact O-N 3.3Å; L216-S219 VanDerWaalsContact O-N 3.14Å; L216-S219 PolarHBondContact O-OG 2.99Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3.17Å; S219-L222 WeakPolarHBondContact O-CB 3.47Å; S219-L222 PolarHBondContact O-N 3.29Å; S219-H223 PolarHBondContact O-N 3.37Å
220L83.2Confident83.1Confident73 Ų7333.7 Ų33.738%0.38217%0.168SC..Hα-helixtrans-65.8-41.9176.4-170.6148.5000111L216 L217 L222 H223 D224L216-L220 PolarHBondContact O-N 2.79Å; L217-L220 PolarHBondContact O-N 3.09Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3Å; L220-H223 WeakPolarHBondContact O-CA 3.31Å; L220-H223 WeakPolarHBondContact O-CB 3.43Å; L220-H223 PolarHBondContact O-N 3.14Å; L220-H223 VanDerWaalsContact O-N 3.08Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.27Å; L220-D224 PolarHBondContact O-N 3.41Å
221Y79.1Confident82.7Confident20 Ų2035.1 Ų35.18%0.07818%0.176CC..Hα-helixtrans-60.9-39172.6-61.4-48.2000112.5Q152 L217 V218 H223 N225Q152-Y221 WeakPolarHBondContact CB-OH 3.37Å; Q152-Y221 HydrophobicContact CG-CE1 4.36Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.35Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.34Å; Q152-Y221 PolarHBondContact NE2-OH 2.8Å; Q152-Y221 PolarHBondContact OE1-OH 3.08Å; L217-Y221 HydrophobicContact CB-CE2 4.17Å; L217-Y221 WeakPolarHBondContact O-CD2 3.39Å; L217-Y221 WeakPolarHBondContact O-CE2 3.41Å; L217-Y221 PolarHBondContact O-N 2.98Å; V218-Y221 PolarHBondContact O-N 3.32Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; Y221-N225 VanDerWaalsContact O-CB 3.3Å; Y221-N225 WeakPolarHBondContact O-CB 3.26Å; Y221-N225 PolarHBondContact O-N 3.16Å; Y221-N225 VanDerWaalsContact O-N 3.11Å; Y221-N225 PolarHBondContact O-ND2 3.47Å
222L80.3Confident82.3Confident1 Ų137.4 Ų37.41%0.00519%0.187CC..Hα-helixtrans-64.2-41.2175.6-168.874.7000110.7W68 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 3.69Å; W68-L222 HydrophobicContact CD2-CD2 4.09Å; W68-L222 HydrophobicContact CE3-CD1 3.81Å; W68-L222 HydrophobicContact CE3-CD2 4.34Å; W68-L222 HydrophobicContact CG-CD1 4Å; W68-L222 HydrophobicContact CG-CD2 3.65Å; W68-L222 HydrophobicContact CZ3-CD1 4.33Å; A112-L222 HydrophobicContact CB-CD1 4.45Å; M115-L222 HydrophobicContact SD-CD1 4.22Å; V218-L222 PolarHBondContact O-N 3.12Å; S219-L222 WeakPolarHBondContact O-CB 3.47Å; S219-L222 PolarHBondContact O-N 3.29Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3Å; L222-N225 PolarHBondContact O-N 3.27Å; L222-T226 HydrophobicContact CD1-CG2 4.4Å; L222-T226 HydrophobicContact CG-CG2 4.26Å; L222-T226 WeakPolarHBondContact O-CB 3.47Å; L222-T226 WeakPolarHBondContact O-CG2 3.39Å; L222-T226 PolarHBondContact O-N 3.23Å; L222-T226 VanDerWaalsContact O-N 3.11Å; L222-T226 PolarHBondContact O-OG1 3.47Å
223H80.2Confident81.8Confident85 Ų8532.6 Ų32.639%0.39417%0.171SC..Hα-helixtrans-59.5-51.7176.1-174.186.5000111.6M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 2.95Å; M60-H223 PolarHBondContact O-ND1 3.32Å; S219-H223 PolarHBondContact O-N 3.37Å; L220-H223 WeakPolarHBondContact O-CA 3.31Å; L220-H223 WeakPolarHBondContact O-CB 3.43Å; L220-H223 PolarHBondContact O-N 3.14Å; L220-H223 VanDerWaalsContact O-N 3.08Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; H223-N225 PolarHBondContact O-N 3.36Å; H223-T226 PolarHBondContact O-N 3.47Å; H223-T226 VanDerWaalsContact O-N 3.12Å; H223-T226 PolarHBondContact O-OG1 3.4Å
224D75.8Confident81.2Confident72 Ų7232 Ų3239%0.38517%0.165SC..Hα-helixtrans-61-31.5-179.4-64.8-16000112.6L220L220-D224 WeakPolarHBondContact CD2-OD2 3.27Å; L220-D224 PolarHBondContact O-N 3.41Å
225N71.7Confident80.7Confident32 Ų3234.4 Ų34.417%0.17118%0.178CC..THydrogen-bonded Turntrans-90.2-2.7-180-74.9-69.5000114.4G116 S119 Y221 L222 H223G116-N225 VanDerWaalsContact CA-O 3.23Å; G116-N225 WeakPolarHBondContact CA-O 3.17Å; S119-N225 PolarHBondContact OG-O 2.98Å; Y221-N225 VanDerWaalsContact O-CB 3.3Å; Y221-N225 WeakPolarHBondContact O-CB 3.26Å; Y221-N225 PolarHBondContact O-N 3.16Å; Y221-N225 VanDerWaalsContact O-N 3.11Å; Y221-N225 PolarHBondContact O-ND2 3.47Å; L222-N225 PolarHBondContact O-N 3.27Å; H223-N225 PolarHBondContact O-N 3.36Å
226T67.2Low80Confident29 Ų2937.5 Ų37.518%0.17819%0.194CC..  trans-107.10-178.154.80000114.9K120 L222 H223K120-T226 WeakPolarHBondContact CE-O 3.32Å; K120-T226 VanDerWaalsContact NZ-C 3.33Å; K120-T226 PolarHBondContact NZ-O 2.7Å; K120-T226 PolarHBondContact NZ-OXT 3.46Å; L222-T226 HydrophobicContact CD1-CG2 4.4Å; L222-T226 HydrophobicContact CG-CG2 4.26Å; L222-T226 WeakPolarHBondContact O-CB 3.47Å; L222-T226 WeakPolarHBondContact O-CG2 3.39Å; L222-T226 PolarHBondContact O-N 3.23Å; L222-T226 VanDerWaalsContact O-N 3.11Å; L222-T226 PolarHBondContact O-OG1 3.47Å; H223-T226 PolarHBondContact O-N 3.47Å; H223-T226 VanDerWaalsContact O-N 3.12Å; H223-T226 PolarHBondContact O-OG1 3.4Å

Retrieved 226 of 226 residues in 95.5 ms (Link to these results)

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