A0A087YAV1_POEFO Loading...

Short chain dehydrogenase/reductase family 42E, member 1

AlphaFold DB , UniProt , Accession A0A087YAV1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 352 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M38.9Very low53.7Low188 Ų18896.1 Ų96.193%0.92647%0.468SS*.  0-75.40-58.3-152.4-57.100112.3N3 E4M1-N3 VanDerWaalsContact C-N 3.29Å; M1-N3 PolarHBondContact O-N 2.72Å; M1-N3 VanDerWaalsContact O-N 3.16Å; M1-E4 VanDerWaalsContact CA-OE2 3.32Å; M1-E4 WeakPolarHBondContact CA-OE2 3.18Å; M1-E4 PolarHBondContact N-OE2 2.69Å; M1-E4 PolarHBondContact O-N 2.71Å; M1-E4 VanDerWaalsContact O-N 3.08Å
2E40Very low56.3Low139 Ų13988.1 Ų88.165%0.6543%0.429SS*.THydrogen-bonded Turntrans-55.7-35.9-177.8-80.9-175148.700114.5K204E2-K204 IonicContact OE1-NZ 2.96Å; E2-K204 PolarHBondContact OE1-NZ 3.4Å
3N38.2Very low59.2Low122 Ų12281.3 Ų81.365%0.65240%0.396SS*.THydrogen-bonded Turntrans-73.8-34.8175.7-81.5-2.7000114.4M1 Q5 M6M1-N3 VanDerWaalsContact C-N 3.29Å; M1-N3 PolarHBondContact O-N 2.72Å; M1-N3 VanDerWaalsContact O-N 3.16Å; N3-Q5 VanDerWaalsContact C-N 3.28Å; N3-Q5 PolarHBondContact O-N 3.25Å; N3-M6 PolarHBondContact O-N 3.37Å
4E40.7Very low61.7Low128 Ų12875.5 Ų75.560%0.59837%0.368SS*.THydrogen-bonded Turntrans-74.3-18.4-169.7-69.7163.3119.700113.3M1M1-E4 VanDerWaalsContact CA-OE2 3.32Å; M1-E4 WeakPolarHBondContact CA-OE2 3.18Å; M1-E4 PolarHBondContact N-OE2 2.69Å; M1-E4 PolarHBondContact O-N 2.71Å; M1-E4 VanDerWaalsContact O-N 3.08Å
5Q44.5Very low63.8Low113 Ų11371.1 Ų71.153%0.52835%0.35SS..THydrogen-bonded Turntrans-87.5-22.5-179.8-162.164.127.400112.4N3 N9N3-Q5 VanDerWaalsContact C-N 3.28Å; N3-Q5 PolarHBondContact O-N 3.25Å; Q5-N9 PolarHBondContact O-ND2 3.33Å
6M49.6Very low65.5Low27 Ų2766.7 Ų66.713%0.13333%0.328CS..THydrogen-bonded Turntrans-79.8-27.6174.2-91-169.565.800113.3N3 K8 N9 F11 L28 R31 A33N3-M6 PolarHBondContact O-N 3.37Å; M6-K8 PolarHBondContact O-N 2.99Å; M6-N9 PolarHBondContact O-N 3.24Å; M6-F11 HydrophobicContact CE-CE2 4.23Å; M6-L28 HydrophobicContact CE-CD2 4.21Å; M6-R31 WeakPolarHBondContact CB-O 3.31Å; M6-R31 HydrophobicContact CE-CB 3.41Å; M6-R31 VanDerWaalsContact CE-CB 3.41Å; M6-R31 HydrophobicContact CE-CG 4.35Å; M6-R31 HydrophobicContact SD-CB 3.91Å; M6-A33 HydrophobicContact CE-CB 4.02Å
7D51.6Low67.1Low90 Ų9063.6 Ų63.648%0.48132%0.315SS..THydrogen-bonded Turntrans-57.5-10.3179.3-78.3-28000115.2G32D7-G32 WeakPolarHBondContact OD1-CA 3.38Å
8K57Low68.4Low162 Ų16261.4 Ų61.470%0.70431%0.311SS*.THydrogen-bonded Turntrans-115.5-17.1-177.2-68.2-178.5-177.3171.20115.1M6M6-K8 PolarHBondContact O-N 2.99Å
9N66.5Low69.5Low42 Ų4259.6 Ų59.623%0.22530%0.3CS..  trans-78.3133.5-171.8-61.2-30.3000111.2Q5 M6 F11 R34 D72Q5-N9 PolarHBondContact O-ND2 3.33Å; M6-N9 PolarHBondContact O-N 3.24Å; N9-F11 HydrophobicContact CB-CD1 4.08Å; N9-F11 HydrophobicContact CB-CE1 3.41Å; N9-F11 VanDerWaalsContact CB-CE1 3.41Å; N9-F11 HydrophobicContact CB-CE2 4.44Å; N9-F11 HydrophobicContact CB-CZ 3.62Å; N9-R34 PolarHBondContact O-N 2.91Å; N9-D72 WeakPolarHBondContact CA-OD2 3.22Å; N9-D72 HydrophobicContact CB-CB 4.4Å
10V77.8Confident70.6Confident30 Ų3057.6 Ų57.618%0.18229%0.289CS..EExtended strand (participates in β ladder)trans-95.2113.6175.1-177.10000108.7R34 V71 D72 C73V10-R34 CarbonylContact C-O 3.59Å; V10-R34 WeakPolarHBondContact CA-O 3.2Å; V10-R34 HydrophobicContact CG2-CB 4.26Å; V10-V71 HydrophobicContact CG1-CB 4.21Å; V10-V71 HydrophobicContact CG1-CG1 4Å; V10-V71 CarbonylContact O-C 3.48Å; V10-D72 PolarHBondContact N-OD2 2.76Å; V10-D72 PolarHBondContact O-N 3.47Å; V10-C73 PolarHBondContact O-N 3.42Å
11F85.4Confident71.6Confident16 Ų1654.8 Ų54.87%0.0728%0.275CS..EExtended strand (participates in β ladder)trans-109.8133.5-179.2-58.7-31.5000112.3M6 N9 L28 A33 R34 I35 T36 C73 F75M6-F11 HydrophobicContact CE-CE2 4.23Å; N9-F11 HydrophobicContact CB-CD1 4.08Å; N9-F11 HydrophobicContact CB-CE1 3.41Å; N9-F11 VanDerWaalsContact CB-CE1 3.41Å; N9-F11 HydrophobicContact CB-CE2 4.44Å; N9-F11 HydrophobicContact CB-CZ 3.62Å; F11-L28 HydrophobicContact CD2-CB 4.22Å; F11-L28 HydrophobicContact CD2-CD1 4.01Å; F11-L28 HydrophobicContact CD2-CD2 4.09Å; F11-L28 HydrophobicContact CD2-CG 4.35Å; F11-L28 HydrophobicContact CE2-CD2 3.86Å; F11-A33 HydrophobicContact CD2-CB 3.52Å; F11-A33 HydrophobicContact CE2-CB 3.5Å; F11-A33 VanDerWaalsContact CE2-CB 3.5Å; F11-A33 HydrophobicContact CZ-CB 4.49Å; F11-R34 PolarHBondContact N-O 3.21Å; F11-I35 HydrophobicContact CB-CD1 3.84Å; F11-I35 HydrophobicContact CD2-CD1 3.91Å; F11-I35 HydrophobicContact CG-CD1 4.35Å; F11-T36 PolarHBondContact O-N 2.85Å; F11-C73 WeakPolarHBondContact CA-O 3.44Å; F11-C73 HydrophobicContact CD1-CB 3.49Å; F11-C73 VanDerWaalsContact CD1-CB 3.49Å; F11-C73 HydrophobicContact CE1-CB 3.68Å; F11-C73 HydrophobicContact CG-CB 4.49Å; F11-F75 HydrophobicContact CB-CD2 4.32Å; F11-F75 HydrophobicContact CB-CE2 4.17Å; F11-F75 HydrophobicContact CD1-CE2 4.34Å; F11-F75 AromaticContact CD2-CE2 3.97Å; F11-F75 HydrophobicContact CD2-CE2 3.97Å; F11-F75 HydrophobicContact CE2-CE2 4.4Å; F11-F75 AromaticContact CG-CE2 3.93Å; F11-F75 HydrophobicContact CG-CE2 3.93Å
12L86Confident74.1Confident0 Ų046.8 Ų46.80%024%0.235CC..EExtended strand (participates in β ladder)trans-97.6130.9170.1-172.668.6000110.3T36 F38 A67 V68 V71 C73 V74 F75L12-T36 WeakPolarHBondContact CA-O 3.4Å; L12-T36 HydrophobicContact CD1-CG2 3.87Å; L12-F38 HydrophobicContact CD1-CB 3.89Å; L12-F38 HydrophobicContact CG-CB 4.5Å; L12-A67 HydrophobicContact CD1-CB 4.14Å; L12-A67 WeakPolarHBondContact CD1-O 3.19Å; L12-A67 HydrophobicContact CD2-CB 4.06Å; L12-A67 WeakPolarHBondContact CD2-O 3.26Å; L12-V68 HydrophobicContact CD2-CB 4.5Å; L12-V68 HydrophobicContact CD2-CG2 3.65Å; L12-V71 HydrophobicContact CB-CB 4.35Å; L12-V71 HydrophobicContact CB-CG1 4.22Å; L12-V71 HydrophobicContact CB-CG2 3.99Å; L12-C73 PolarHBondContact N-O 3.01Å; L12-V74 HydrophobicContact CB-CG1 4.42Å; L12-V74 HydrophobicContact CB-CG2 4.21Å; L12-V74 HydrophobicContact CD2-CG1 4.13Å; L12-V74 HydrophobicContact CD2-CG2 4.2Å; L12-V74 CarbonylContact O-C 3.58Å; L12-V74 WeakPolarHBondContact O-CA 3.45Å; L12-F75 PolarHBondContact O-N 3.2Å
13L93.3Very high76.6Confident0 Ų043.3 Ų43.30%022%0.216CC..EExtended strand (participates in β ladder)trans-116.3107.2171.3-66.599000110.5G16 G21 L24 A25 L28 I35 T36 L37 F38 F75 I77L13-G16 PolarHBondContact O-N 2.93Å; L13-G21 WeakPolarHBondContact CD2-O 3.45Å; L13-L24 HydrophobicContact CD2-CB 4.01Å; L13-L24 HydrophobicContact CD2-CD2 3.93Å; L13-L24 HydrophobicContact CD2-CG 3.92Å; L13-A25 HydrophobicContact CD1-CB 4.08Å; L13-A25 HydrophobicContact CD2-CB 3.99Å; L13-L28 HydrophobicContact CD1-CD1 4.43Å; L13-L28 HydrophobicContact CD2-CD1 4.33Å; L13-I35 HydrophobicContact CD1-CD1 4.17Å; L13-I35 HydrophobicContact CD1-CG2 3.64Å; L13-T36 PolarHBondContact N-O 3.47Å; L13-L37 HydrophobicContact CB-CD2 4.33Å; L13-L37 HydrophobicContact CD1-CD2 4.42Å; L13-F38 PolarHBondContact O-N 3.21Å; L13-F75 HydrophobicContact CD2-CB 4.28Å; L13-F75 HydrophobicContact CG-CB 4.09Å; L13-F75 HydrophobicContact CG-CD2 4.37Å; L13-I77 HydrophobicContact CD2-CD1 4.36Å
14T94.1Very high79.1Confident0 Ų037.5 Ų37.50%019%0.185CC..EExtended strand (participates in β ladder)trans-77.7138.1172.275.60000109.8G16 F38 I58 V74 F75 H76 I77 A78 I104T14-G16 PolarHBondContact O-N 3.21Å; T14-F38 CarbonylContact C-O 3.58Å; T14-F38 WeakPolarHBondContact CA-O 3.49Å; T14-F38 HydrophobicContact CG2-CD1 4.39Å; T14-I58 HydrophobicContact CG2-CG2 4.23Å; T14-V74 HydrophobicContact CG2-CG1 4.32Å; T14-F75 PolarHBondContact N-O 2.84Å; T14-F75 VanDerWaalsContact N-O 3.14Å; T14-H76 VanDerWaalsContact OG1-CA 3.32Å; T14-H76 WeakPolarHBondContact OG1-CA 3.41Å; T14-H76 PolarHBondContact OG1-ND1 3.45Å; T14-I77 CarbonylContact O-C 3.56Å; T14-I77 WeakPolarHBondContact O-CA 3.46Å; T14-I77 VanDerWaalsContact O-CB 3.3Å; T14-I77 WeakPolarHBondContact O-CB 3.43Å; T14-I77 PolarHBondContact O-N 3.05Å; T14-I77 PolarHBondContact OG1-N 3.2Å; T14-I77 VanDerWaalsContact OG1-N 3.12Å; T14-A78 PolarHBondContact O-N 3.12Å; T14-A78 WeakPolarHBondContact OG1-CB 3.43Å; T14-A78 PolarHBondContact OG1-N 3.27Å; T14-I104 HydrophobicContact CG2-CD1 3.45Å; T14-I104 VanDerWaalsContact CG2-CD1 3.45Å; T14-I104 HydrophobicContact CG2-CG1 4.17Å
15G92.9Very high81.5Confident10 Ų1031.4 Ų31.410%0.10316%0.157CC..THydrogen-bonded Turntrans68.922.5-169.700000111.7C17 G18 F38 D39G15-C17 PolarHBondContact O-N 2.86Å; G15-G18 PolarHBondContact O-N 3.45Å; G15-F38 PolarHBondContact N-O 3.4Å; G15-D39 WeakPolarHBondContact CA-OD2 3.38Å
16G92Very high83.7Confident0 Ų027.4 Ų27.40%014%0.141CC..THydrogen-bonded Turntrans-64.8-15.6-174.300000114.2L13 T14 G21 F22 D39L13-G16 PolarHBondContact O-N 2.93Å; T14-G16 PolarHBondContact O-N 3.21Å; G16-G21 CarbonylContact O-C 3.59Å; G16-F22 WeakPolarHBondContact O-CA 3.5Å; G16-F22 WeakPolarHBondContact O-CB 3.05Å; G16-F22 PolarHBondContact O-N 3.19Å; G16-D39 PolarHBondContact N-OD2 3Å
17C92.8Very high85.7Confident14 Ų1427.4 Ų27.410%0.09515%0.145CC..THydrogen-bonded Turntrans-93-8.9175-58.90000112.4G15 D39 V41 P43G15-C17 PolarHBondContact O-N 2.86Å; C17-D39 HydrophobicContact CB-CB 3.81Å; C17-D39 WeakPolarHBondContact CB-OD2 3.44Å; C17-D39 PolarHBondContact N-OD2 3.3Å; C17-V41 WeakPolarHBondContact CB-O 3.47Å; C17-V41 PolarHBondContact SG-O 3.34Å; C17-P43 HydrophobicContact CB-CB 4.39Å
18G89.8Confident87.3Confident24 Ų2423.3 Ų23.325%0.24712%0.123CC..SBendtrans-74.816217300000113.6G15 F20 G21 F22 D39G15-G18 PolarHBondContact O-N 3.45Å; G18-F20 PolarHBondContact O-N 2.71Å; G18-G21 PolarHBondContact O-N 2.94Å; G18-F22 PolarHBondContact O-N 2.87Å; G18-D39 PolarHBondContact N-OD2 3.46Å
19Y90.2Very high88.9Confident28 Ų2817.9 Ų17.911%0.1110%0.1CC..Hα-helixtrans-41.3-55.6-175.2171.7-126.9000115.8I149 G151 P152 G153 E154 V186Y19-I149 HydrophobicContact CE1-CG2 4.06Å; Y19-G151 WeakPolarHBondContact OH-CA 3.01Å; Y19-G151 PolarHBondContact OH-N 3.19Å; Y19-G151 PolarHBondContact OH-O 3.02Å; Y19-P152 WeakPolarHBondContact CE2-O 3.32Å; Y19-G153 WeakPolarHBondContact CD2-O 3.43Å; Y19-G153 WeakPolarHBondContact CE2-O 3.45Å; Y19-E154 HydrophobicContact CD1-CB 4.05Å; Y19-E154 HydrophobicContact CD1-CG 3.79Å; Y19-E154 HydrophobicContact CE1-CB 3.65Å; Y19-E154 HydrophobicContact CE1-CG 3.63Å; Y19-E154 HydrophobicContact CE2-CB 4.25Å; Y19-E154 HydrophobicContact CG-CB 4.48Å; Y19-V186 HydrophobicContact CE1-CB 4.16Å; Y19-V186 HydrophobicContact CE1-CG2 3.85Å; Y19-V186 HydrophobicContact CE2-CG2 4.36Å; Y19-V186 WeakPolarHBondContact OH-CB 3.3Å; Y19-V186 VanDerWaalsContact OH-CG1 3.31Å; Y19-V186 WeakPolarHBondContact OH-CG1 3.25Å
20F91.1Very high89.9Confident18 Ų1824.6 Ų24.68%0.07913%0.127CC..Hα-helixtrans-79.4-42.2-178.5172.9-117000112.1G18 F22 R23 L24 I77 V186 L189 V190 H193G18-F20 PolarHBondContact O-N 2.71Å; F20-F22 VanDerWaalsContact C-N 3.35Å; F20-F22 PolarHBondContact O-N 2.99Å; F20-R23 PolarHBondContact O-N 2.82Å; F20-L24 HydrophobicContact CE1-CD2 4.44Å; F20-L24 HydrophobicContact CE2-CB 4.42Å; F20-L24 HydrophobicContact CZ-CB 4.26Å; F20-L24 HydrophobicContact CZ-CD2 4.2Å; F20-L24 PolarHBondContact O-N 3.06Å; F20-I77 HydrophobicContact CD1-CD1 3.86Å; F20-I77 HydrophobicContact CD1-CG1 4.16Å; F20-I77 HydrophobicContact CD1-CG2 3.75Å; F20-I77 HydrophobicContact CE1-CD1 3.59Å; F20-I77 HydrophobicContact CE1-CG1 3.99Å; F20-I77 HydrophobicContact CE1-CG2 4.43Å; F20-V186 HydrophobicContact CD2-CG2 3.82Å; F20-L189 HydrophobicContact CD1-CD2 4.35Å; F20-L189 HydrophobicContact CD2-CD2 4.01Å; F20-L189 HydrophobicContact CD2-CG 4.3Å; F20-L189 HydrophobicContact CE1-CD2 4.25Å; F20-L189 HydrophobicContact CE1-CG 4.39Å; F20-L189 HydrophobicContact CE2-CB 4.02Å; F20-L189 HydrophobicContact CE2-CD2 3.88Å; F20-L189 HydrophobicContact CE2-CG 3.68Å; F20-L189 HydrophobicContact CG-CD2 4.27Å; F20-L189 HydrophobicContact CZ-CD2 4.04Å; F20-L189 HydrophobicContact CZ-CG 3.77Å; F20-V190 HydrophobicContact CD2-CG2 4.3Å; F20-V190 HydrophobicContact CE2-CB 4.49Å; F20-V190 HydrophobicContact CE2-CG2 3.67Å; F20-H193 AromaticContact CE1-CE1 3.48Å; F20-H193 VanDerWaalsContact CE1-CE1 3.48Å; F20-H193 WeakPolarHBondContact CE1-CE1 3.5Å; F20-H193 AromaticContact CE1-ND1 3.95Å; F20-H193 AromaticContact CE1-NE2 3.55Å; F20-H193 AromaticContact CZ-CE1 3.39Å; F20-H193 WeakPolarHBondContact CZ-CE1 3.29Å; F20-H193 AromaticContact CZ-CG 3.8Å; F20-H193 AromaticContact CZ-ND1 3.38Å; F20-H193 WeakPolarHBondContact CZ-ND1 3.21Å; F20-H193 AromaticContact CZ-NE2 3.81Å
21G90.8Very high90.2Very high0 Ų027.8 Ų27.80%014%0.136CC..Hα-helixtrans-57-45.5-178.800000112.7L13 G16 G18 R23 L24 A25L13-G21 WeakPolarHBondContact CD2-O 3.45Å; G16-G21 CarbonylContact O-C 3.59Å; G18-G21 PolarHBondContact O-N 2.94Å; G21-R23 PolarHBondContact O-N 2.75Å; G21-L24 PolarHBondContact O-N 2.92Å; G21-A25 WeakPolarHBondContact O-CB 3.44Å; G21-A25 PolarHBondContact O-N 2.99Å
22F92.3Very high90.2Very high20 Ų2028.3 Ų28.39%0.08815%0.146CC..Hα-helixtrans-65.7-38.9179.7-169.8-97.9000112.4G16 G18 F20 A25 C26 L37 P43 Q45 L47G16-F22 WeakPolarHBondContact O-CA 3.5Å; G16-F22 WeakPolarHBondContact O-CB 3.05Å; G16-F22 PolarHBondContact O-N 3.19Å; G18-F22 PolarHBondContact O-N 2.87Å; F20-F22 VanDerWaalsContact C-N 3.35Å; F20-F22 PolarHBondContact O-N 2.99Å; F22-A25 WeakPolarHBondContact O-CB 3.46Å; F22-A25 PolarHBondContact O-N 3.14Å; F22-C26 PolarHBondContact O-N 3.24Å; F22-C26 PolarHBondContact O-SG 3.07Å; F22-C26 VanDerWaalsContact O-SG 3.38Å; F22-L37 HydrophobicContact CD2-CD1 4.04Å; F22-L37 HydrophobicContact CE2-CD1 4.34Å; F22-P43 HydrophobicContact CD2-CB 4.45Å; F22-P43 HydrophobicContact CE2-CB 4.16Å; F22-Q45 HydrophobicContact CE1-CB 4.09Å; F22-Q45 HydrophobicContact CE2-CB 4.49Å; F22-Q45 HydrophobicContact CZ-CB 3.78Å; F22-L47 HydrophobicContact CE2-CD2 4.11Å
23R92.3Very high89.9Confident66 Ų6628.4 Ų28.425%0.24915%0.147CC..Hα-helixtrans-65.3-43.6175.9-80.8178.8164.1-1015.6112F20 G21 A25 C26 A27 P152 D187 V190F20-R23 PolarHBondContact O-N 2.82Å; G21-R23 PolarHBondContact O-N 2.75Å; R23-A25 VanDerWaalsContact C-N 3.35Å; R23-C26 PolarHBondContact O-N 3.46Å; R23-A27 WeakPolarHBondContact O-CB 3.45Å; R23-A27 PolarHBondContact O-N 2.86Å; R23-P152 PolarHBondContact NH2-O 3.37Å; R23-D187 IonicContact CZ-OD1 3.51Å; R23-D187 IonicContact NH1-OD1 2.64Å; R23-D187 PolarHBondContact NH1-OD1 3.18Å; R23-D187 IonicContact NH1-OD2 2.75Å; R23-D187 PolarHBondContact NH1-OD2 3.09Å; R23-V190 HydrophobicContact CB-CG2 4.25Å
24L90.6Very high89.5Confident0 Ų035.9 Ų35.90%018%0.175CC..Hα-helixtrans-62.7-43.1174.9-178.261.9000111.2L13 F20 G21 C26 A27 L28 F75 I77 V190 H193 M194L13-L24 HydrophobicContact CD2-CB 4.01Å; L13-L24 HydrophobicContact CD2-CD2 3.93Å; L13-L24 HydrophobicContact CD2-CG 3.92Å; F20-L24 HydrophobicContact CE1-CD2 4.44Å; F20-L24 HydrophobicContact CE2-CB 4.42Å; F20-L24 HydrophobicContact CZ-CB 4.26Å; F20-L24 HydrophobicContact CZ-CD2 4.2Å; F20-L24 PolarHBondContact O-N 3.06Å; G21-L24 PolarHBondContact O-N 2.92Å; L24-C26 PolarHBondContact O-N 2.97Å; L24-A27 PolarHBondContact O-N 3.04Å; L24-L28 HydrophobicContact CD1-CD1 4.04Å; L24-L28 HydrophobicContact CD1-CG 4.1Å; L24-L28 HydrophobicContact CD2-CD1 4.37Å; L24-L28 HydrophobicContact CG-CD1 3.76Å; L24-L28 HydrophobicContact CG-CG 4.29Å; L24-L28 VanDerWaalsContact O-CG 3.32Å; L24-L28 WeakPolarHBondContact O-CG 3.37Å; L24-L28 PolarHBondContact O-N 3.38Å; L24-F75 HydrophobicContact CD2-CB 4.11Å; L24-F75 HydrophobicContact CD2-CD1 3.65Å; L24-F75 HydrophobicContact CD2-CE1 4.21Å; L24-F75 HydrophobicContact CD2-CG 3.91Å; L24-I77 HydrophobicContact CD2-CD1 3.65Å; L24-V190 HydrophobicContact CB-CG2 4.22Å; L24-V190 HydrophobicContact CD1-CB 4.4Å; L24-V190 HydrophobicContact CD1-CG1 3.95Å; L24-V190 HydrophobicContact CD1-CG2 4.4Å; L24-H193 HydrophobicContact CD1-CB 3.89Å; L24-H193 HydrophobicContact CD2-CB 4Å; L24-M194 HydrophobicContact CD1-CG 4.33Å
25A91.7Very high89.4Confident0 Ų036 Ų360%018%0.176CC..Hα-helixtrans-56.6-50.8176.700000112.2L13 G21 F22 R23 A27 L28 H29 I35 L37 M51L13-A25 HydrophobicContact CD1-CB 4.08Å; L13-A25 HydrophobicContact CD2-CB 3.99Å; G21-A25 WeakPolarHBondContact O-CB 3.44Å; G21-A25 PolarHBondContact O-N 2.99Å; F22-A25 WeakPolarHBondContact O-CB 3.46Å; F22-A25 PolarHBondContact O-N 3.14Å; R23-A25 VanDerWaalsContact C-N 3.35Å; A25-A27 VanDerWaalsContact C-N 3.3Å; A25-A27 PolarHBondContact O-N 2.95Å; A25-L28 PolarHBondContact O-N 3.03Å; A25-H29 WeakPolarHBondContact O-CB 3.17Å; A25-H29 PolarHBondContact O-N 2.84Å; A25-I35 HydrophobicContact CB-CG2 4.04Å; A25-L37 HydrophobicContact CB-CD2 3.44Å; A25-L37 VanDerWaalsContact CB-CD2 3.44Å; A25-M51 HydrophobicContact CB-CE 4.42Å; A25-M51 HydrophobicContact CB-SD 4.23Å
26C91Very high89.3Confident29 Ų2935.9 Ų35.920%0.19617%0.173CC..Hα-helixtrans-62-34.8176.6-71.50000112.9F22 R23 L24 K30F22-C26 PolarHBondContact O-N 3.24Å; F22-C26 PolarHBondContact O-SG 3.07Å; F22-C26 VanDerWaalsContact O-SG 3.38Å; R23-C26 PolarHBondContact O-N 3.46Å; L24-C26 PolarHBondContact O-N 2.97Å; C26-K30 WeakPolarHBondContact O-CB 3.44Å; C26-K30 VanDerWaalsContact O-CG 3.22Å; C26-K30 WeakPolarHBondContact O-CG 3.34Å; C26-K30 PolarHBondContact O-N 3.31Å; C26-K30 VanDerWaalsContact O-N 3.09Å
27A89.9Confident89.4Confident26 Ų2635.9 Ų35.922%0.21517%0.173CC..Hα-helixtrans-72.4-39.5177.100000113R23 L24 A25 V190 M194R23-A27 WeakPolarHBondContact O-CB 3.45Å; R23-A27 PolarHBondContact O-N 2.86Å; L24-A27 PolarHBondContact O-N 3.04Å; A25-A27 VanDerWaalsContact C-N 3.3Å; A25-A27 PolarHBondContact O-N 2.95Å; A27-V190 HydrophobicContact CB-CG1 3.4Å; A27-M194 HydrophobicContact CB-CE 4.45Å; A27-M194 HydrophobicContact CB-SD 4.37Å
28L86.3Confident89.5Confident4 Ų435.3 Ų35.32%0.02117%0.169CC..Hα-helixtrans-67.6-44.5175.3-67.6164.4000111.3M6 F11 L13 L24 A25 K30 R31 A33 I35 F75 M194M6-L28 HydrophobicContact CE-CD2 4.21Å; F11-L28 HydrophobicContact CD2-CB 4.22Å; F11-L28 HydrophobicContact CD2-CD1 4.01Å; F11-L28 HydrophobicContact CD2-CD2 4.09Å; F11-L28 HydrophobicContact CD2-CG 4.35Å; F11-L28 HydrophobicContact CE2-CD2 3.86Å; L13-L28 HydrophobicContact CD1-CD1 4.43Å; L13-L28 HydrophobicContact CD2-CD1 4.33Å; L24-L28 HydrophobicContact CD1-CD1 4.04Å; L24-L28 HydrophobicContact CD1-CG 4.1Å; L24-L28 HydrophobicContact CD2-CD1 4.37Å; L24-L28 HydrophobicContact CG-CD1 3.76Å; L24-L28 HydrophobicContact CG-CG 4.29Å; L24-L28 VanDerWaalsContact O-CG 3.32Å; L24-L28 WeakPolarHBondContact O-CG 3.37Å; L24-L28 PolarHBondContact O-N 3.38Å; A25-L28 PolarHBondContact O-N 3.03Å; L28-K30 PolarHBondContact O-N 3.42Å; L28-R31 CarbonylContact O-C 3.55Å; L28-R31 PolarHBondContact O-N 2.82Å; L28-A33 HydrophobicContact CB-CB 4.3Å; L28-A33 WeakPolarHBondContact O-CB 3.2Å; L28-A33 PolarHBondContact O-N 3.25Å; L28-I35 HydrophobicContact CB-CD1 3.79Å; L28-I35 HydrophobicContact CD1-CD1 4.44Å; L28-F75 HydrophobicContact CD1-CD2 3.9Å; L28-F75 HydrophobicContact CD1-CE2 3.53Å; L28-F75 HydrophobicContact CD1-CZ 3.9Å; L28-F75 HydrophobicContact CD2-CE2 4.33Å; L28-F75 HydrophobicContact CD2-CZ 4.08Å; L28-M194 HydrophobicContact CD2-CE 3.87Å; L28-M194 HydrophobicContact CD2-CG 4.15Å; L28-M194 HydrophobicContact CG-CE 4.38Å
29H89.9Confident89.8Confident49 Ų4935.3 Ų35.323%0.22716%0.163CC..Hα-helixtrans-63.1-38.5176.7173.871.9000112.8A25 R31 G32 I35 P48 E49 M51A25-H29 WeakPolarHBondContact O-CB 3.17Å; A25-H29 PolarHBondContact O-N 2.84Å; H29-R31 PolarHBondContact O-N 2.91Å; H29-R31 VanDerWaalsContact O-N 3.09Å; H29-G32 PolarHBondContact O-N 2.88Å; H29-I35 HydrophobicContact CB-CG1 3.84Å; H29-P48 WeakPolarHBondContact NE2-CB 3.45Å; H29-E49 PolarHBondContact CE1-O 3.27Å; H29-M51 HydrophobicContact CB-CE 3.48Å; H29-M51 VanDerWaalsContact CB-CE 3.48Å
30K88.6Confident90Very high182 Ų18237.1 Ų37.179%0.79118%0.177SC*.THydrogen-bonded Turntrans-61-15.6172.2-81.5176.4179.2-174.20114.4C26 L28C26-K30 WeakPolarHBondContact O-CB 3.44Å; C26-K30 VanDerWaalsContact O-CG 3.22Å; C26-K30 WeakPolarHBondContact O-CG 3.34Å; C26-K30 PolarHBondContact O-N 3.31Å; C26-K30 VanDerWaalsContact O-N 3.09Å; L28-K30 PolarHBondContact O-N 3.42Å
31R84.3Confident90.1Very high97 Ų9740.2 Ų40.237%0.36620%0.197SC..THydrogen-bonded Turntrans-104.221171.9-67.4-163.4-168.8173.12112.5M6 L28 H29 M194 E198M6-R31 WeakPolarHBondContact CB-O 3.31Å; M6-R31 HydrophobicContact CE-CB 3.41Å; M6-R31 VanDerWaalsContact CE-CB 3.41Å; M6-R31 HydrophobicContact CE-CG 4.35Å; M6-R31 HydrophobicContact SD-CB 3.91Å; L28-R31 CarbonylContact O-C 3.55Å; L28-R31 PolarHBondContact O-N 2.82Å; H29-R31 PolarHBondContact O-N 2.91Å; H29-R31 VanDerWaalsContact O-N 3.09Å; R31-M194 HydrophobicContact CG-CE 4.03Å; R31-M194 VanDerWaalsContact NE-CE 3.31Å; R31-E198 IonicContact CZ-OE1 3.63Å; R31-E198 IonicContact NH1-OE1 2.86Å; R31-E198 PolarHBondContact NH1-OE1 2.86Å; R31-E198 IonicContact NH2-OE1 3.97Å
32G84.1Confident90Very high28 Ų2843.3 Ų43.329%0.28922%0.218SC..THydrogen-bonded Turntrans89.9-6.7172.800000116.5D7 H29D7-G32 WeakPolarHBondContact OD1-CA 3.38Å; H29-G32 PolarHBondContact O-N 2.88Å
33A80Confident89.8Confident1 Ų143.7 Ų43.71%0.00822%0.222CC..  trans-68.1142.8-176.500000112.9M6 F11 L28 I35M6-A33 HydrophobicContact CE-CB 4.02Å; F11-A33 HydrophobicContact CD2-CB 3.52Å; F11-A33 HydrophobicContact CE2-CB 3.5Å; F11-A33 VanDerWaalsContact CE2-CB 3.5Å; F11-A33 HydrophobicContact CZ-CB 4.49Å; L28-A33 HydrophobicContact CB-CB 4.3Å; L28-A33 WeakPolarHBondContact O-CB 3.2Å; L28-A33 PolarHBondContact O-N 3.25Å; A33-I35 HydrophobicContact CB-CD1 3.9Å
34R85.7Confident89.3Confident158 Ų15846 Ų4660%0.59625%0.247SC*.EExtended strand (participates in β ladder)trans-82.9122.4173.3-66.2-176.266.8177.20.9109.2N9 V10 F11N9-R34 PolarHBondContact O-N 2.91Å; V10-R34 CarbonylContact C-O 3.59Å; V10-R34 WeakPolarHBondContact CA-O 3.2Å; V10-R34 HydrophobicContact CG2-CB 4.26Å; F11-R34 PolarHBondContact N-O 3.21Å
35I91.5Very high88.8Confident2 Ų251.7 Ų51.71%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-116.5134.4-167.2-61.7-50.4000111.8F11 L13 A25 L28 H29 A33 L37 M51 M52F11-I35 HydrophobicContact CB-CD1 3.84Å; F11-I35 HydrophobicContact CD2-CD1 3.91Å; F11-I35 HydrophobicContact CG-CD1 4.35Å; L13-I35 HydrophobicContact CD1-CD1 4.17Å; L13-I35 HydrophobicContact CD1-CG2 3.64Å; A25-I35 HydrophobicContact CB-CG2 4.04Å; L28-I35 HydrophobicContact CB-CD1 3.79Å; L28-I35 HydrophobicContact CD1-CD1 4.44Å; H29-I35 HydrophobicContact CB-CG1 3.84Å; A33-I35 HydrophobicContact CB-CD1 3.9Å; I35-L37 HydrophobicContact CG2-CD2 3.85Å; I35-M51 HydrophobicContact CB-CG 3.76Å; I35-M51 HydrophobicContact CG2-CE 4.5Å; I35-M51 HydrophobicContact CG2-CG 3.67Å; I35-M51 HydrophobicContact CG2-SD 4.08Å; I35-M52 PolarHBondContact O-N 3.32Å
36T90.4Very high88.5Confident7 Ų760.6 Ų60.64%0.04332%0.315CS..EExtended strand (participates in β ladder)trans-117.6119.8164.7-54.20000110.1F11 L12 L13 M52 M54F11-T36 PolarHBondContact O-N 2.85Å; L12-T36 WeakPolarHBondContact CA-O 3.4Å; L12-T36 HydrophobicContact CD1-CG2 3.87Å; L13-T36 PolarHBondContact N-O 3.47Å; T36-M52 CarbonylContact C-O 3.56Å; T36-M52 WeakPolarHBondContact CA-O 3.17Å; T36-M52 HydrophobicContact CG2-CB 4.43Å; T36-M52 VanDerWaalsContact OG1-CE 3.22Å; T36-M52 WeakPolarHBondContact OG1-CE 3.45Å; T36-M54 HydrophobicContact CG2-CB 4.19Å
37L95.1Very high88.2Confident0 Ų061.9 Ų61.90%032%0.32CS..EExtended strand (participates in β ladder)trans-84.3128.2168.3-52.2-172000109.5L13 F22 A25 I35 L47 M51 M52 F53 M54L13-L37 HydrophobicContact CB-CD2 4.33Å; L13-L37 HydrophobicContact CD1-CD2 4.42Å; F22-L37 HydrophobicContact CD2-CD1 4.04Å; F22-L37 HydrophobicContact CE2-CD1 4.34Å; A25-L37 HydrophobicContact CB-CD2 3.44Å; A25-L37 VanDerWaalsContact CB-CD2 3.44Å; I35-L37 HydrophobicContact CG2-CD2 3.85Å; L37-L47 HydrophobicContact CD1-CD2 3.56Å; L37-L47 HydrophobicContact CG-CD2 4.44Å; L37-M51 HydrophobicContact CD1-SD 4.48Å; L37-M51 HydrophobicContact CD2-SD 4.42Å; L37-M51 HydrophobicContact CG-SD 4.49Å; L37-M52 PolarHBondContact N-O 3.34Å; L37-F53 HydrophobicContact CB-CD2 4.26Å; L37-M54 PolarHBondContact O-N 2.74Å
38F94.5Very high87.9Confident2 Ų262.7 Ų62.71%0.00932%0.323CS..EExtended strand (participates in β ladder)trans-116.7112.8172.3-175.4-99.5000110.2L12 L13 T14 G15 M54 G56 I58 Q63 V64 A67L12-F38 HydrophobicContact CD1-CB 3.89Å; L12-F38 HydrophobicContact CG-CB 4.5Å; L13-F38 PolarHBondContact O-N 3.21Å; T14-F38 CarbonylContact C-O 3.58Å; T14-F38 WeakPolarHBondContact CA-O 3.49Å; T14-F38 HydrophobicContact CG2-CD1 4.39Å; G15-F38 PolarHBondContact N-O 3.4Å; F38-M54 WeakPolarHBondContact CA-O 3.35Å; F38-M54 HydrophobicContact CD2-CB 4.18Å; F38-M54 HydrophobicContact CD2-CG 4.09Å; F38-M54 HydrophobicContact CD2-SD 4.14Å; F38-M54 HydrophobicContact CE2-CG 4.39Å; F38-M54 HydrophobicContact CE2-SD 4.28Å; F38-G56 VanDerWaalsContact CZ-C 3.47Å; F38-I58 HydrophobicContact CD1-CG2 3.98Å; F38-I58 HydrophobicContact CE1-CG2 3.73Å; F38-Q63 HydrophobicContact CE2-CB 4.34Å; F38-Q63 HydrophobicContact CZ-CB 4.01Å; F38-V64 HydrophobicContact CE1-CG2 4.26Å; F38-V64 HydrophobicContact CZ-CG2 4.4Å; F38-A67 HydrophobicContact CD2-CB 3.48Å; F38-A67 VanDerWaalsContact CD2-CB 3.48Å; F38-A67 HydrophobicContact CE2-CB 3.7Å; F38-A67 HydrophobicContact CG-CB 4.02Å; F38-A67 HydrophobicContact CZ-CB 4.41Å
39D96.4Very high87.4Confident25 Ų2570.8 Ų70.813%0.13436%0.361CS..EExtended strand (participates in β ladder)trans-153.4157.4-177.8-147.7-41.3000112.1G15 G16 C17 G18 V41 F53 M54 Q55 G56G15-D39 WeakPolarHBondContact CA-OD2 3.38Å; G16-D39 PolarHBondContact N-OD2 3Å; C17-D39 HydrophobicContact CB-CB 3.81Å; C17-D39 WeakPolarHBondContact CB-OD2 3.44Å; C17-D39 PolarHBondContact N-OD2 3.3Å; G18-D39 PolarHBondContact N-OD2 3.46Å; D39-V41 VanDerWaalsContact C-N 3.29Å; D39-F53 HydrophobicContact CB-CE2 4.32Å; D39-M54 PolarHBondContact N-O 2.96Å; D39-Q55 WeakPolarHBondContact O-CA 3.08Å; D39-G56 CarbonylContact C-O 3.49Å; D39-G56 PolarHBondContact O-N 3.26Å
40T94.3Very high87Confident65 Ų6575.6 Ų75.640%0.39939%0.388SS..SBendtrans-71.6-25.7177.753.70000112.7Q55 G56 D57T40-Q55 PolarHBondContact O-NE2 2.75Å; T40-G56 WeakPolarHBondContact CA-O 3.48Å; T40-G56 WeakPolarHBondContact CG2-O 3.4Å; T40-G56 PolarHBondContact N-O 2.83Å; T40-G56 VanDerWaalsContact N-O 3.14Å; T40-D57 HydrophobicContact CG2-CB 3.89Å
41V91.6Very high87.2Confident83 Ų8367.4 Ų67.450%0.50335%0.353SS..SBendtrans-122.8134.4-177.7-176.90000108.5C17 D39C17-V41 WeakPolarHBondContact CB-O 3.47Å; C17-V41 PolarHBondContact SG-O 3.34Å; D39-V41 VanDerWaalsContact C-N 3.29Å
42P89.5Confident87.5Confident66 Ų6667.6 Ų67.643%0.42936%0.359SS..  trans-60.7157.7175.726.2-35.5000112.5C44 F53P42-C44 PolarHBondContact O-N 2.91Å; P42-F53 VanDerWaalsContact CA-CZ 3.46Å; P42-F53 HydrophobicContact CB-CE1 3.82Å; P42-F53 HydrophobicContact CB-CZ 3.95Å
43P88Confident88Confident27 Ų2769.3 Ų69.318%0.17536%0.359CS..  trans-64.1135.1-179.427.9-34.7000111C17 F22 Q45 L47C17-P43 HydrophobicContact CB-CB 4.39Å; F22-P43 HydrophobicContact CD2-CB 4.45Å; F22-P43 HydrophobicContact CE2-CB 4.16Å; P43-Q45 PolarHBondContact O-N 3.32Å; P43-L47 HydrophobicContact CB-CD2 4.41Å; P43-L47 HydrophobicContact CG-CD1 4.07Å; P43-L47 HydrophobicContact CG-CD2 4Å; P43-L47 HydrophobicContact CG-CG 3.91Å
44C80.9Confident88.7Confident115 Ų11571.8 Ų71.878%0.77737%0.371SS*.SBendtrans-75.74.5176-56.50000113.8P42P42-C44 PolarHBondContact O-N 2.91Å
45Q81.3Confident89.2Confident119 Ų11970.4 Ų70.456%0.55637%0.371SS*.SBendtrans-133150-178.1-72.2171.596.200107.5F22 P43F22-Q45 HydrophobicContact CE1-CB 4.09Å; F22-Q45 HydrophobicContact CE2-CB 4.49Å; F22-Q45 HydrophobicContact CZ-CB 3.78Å; P43-Q45 PolarHBondContact O-N 3.32Å
46E84.5Confident89.3Confident187 Ų18770.6 Ų70.687%0.87437%0.374SS*.PPolyproline II helixtrans-59.5142.2172.2-69.1177.4164.500110.3
47L86.3Confident89.5Confident56 Ų5671.4 Ų71.429%0.29338%0.378SS..PPolyproline II helixtrans-82.4139.9177.3-71.2168.2000109.3F22 L37 P43 M51 F53F22-L47 HydrophobicContact CE2-CD2 4.11Å; L37-L47 HydrophobicContact CD1-CD2 3.56Å; L37-L47 HydrophobicContact CG-CD2 4.44Å; P43-L47 HydrophobicContact CB-CD2 4.41Å; P43-L47 HydrophobicContact CG-CD1 4.07Å; P43-L47 HydrophobicContact CG-CD2 4Å; P43-L47 HydrophobicContact CG-CG 3.91Å; L47-M51 HydrophobicContact CB-CB 4.34Å; L47-M51 HydrophobicContact CD2-CB 4.39Å; L47-M51 HydrophobicContact CD2-CG 4.35Å; L47-M51 HydrophobicContact CD2-SD 3.95Å; L47-F53 HydrophobicContact CD1-CB 3.78Å
48P83.6Confident89.5Confident44 Ų4471.9 Ų71.929%0.28638%0.38SS..PPolyproline II helixtrans-53.7151.5162.8-24.936.2000111.2H29 M51H29-P48 WeakPolarHBondContact NE2-CB 3.45Å; P48-M51 HydrophobicContact CB-CB 4.41Å; P48-M51 HydrophobicContact CB-CE 4.29Å; P48-M51 HydrophobicContact CG-CE 3.7Å; P48-M51 HydrophobicContact CG-SD 4.36Å; P48-M51 VanDerWaalsContact O-CB 3.28Å; P48-M51 WeakPolarHBondContact O-CB 3.49Å; P48-M51 PolarHBondContact O-N 3.45Å; P48-M51 VanDerWaalsContact O-N 3.12Å
49E74.1Confident89.5Confident173 Ų17376.5 Ų76.581%0.80840%0.398SS*.THydrogen-bonded Turntrans-54.2145.8171.3-64.1-178.4160.200109.9H29 M51H29-E49 PolarHBondContact CE1-O 3.27Å; E49-M51 PolarHBondContact O-N 3Å; E49-M51 VanDerWaalsContact O-N 3.1Å
50D83.2Confident89.4Confident150 Ų15080.2 Ų80.280%0.80241%0.414SS*.THydrogen-bonded Turntrans63.6-1.2-172.1-53.7-38.4000117.7
51M91.4Very high89.1Confident11 Ų1178.8 Ų78.85%0.05440%0.402CS..  trans-84.1116.4173.3-149.3-176-83.800111.1A25 H29 I35 L37 L47 P48 E49A25-M51 HydrophobicContact CB-CE 4.42Å; A25-M51 HydrophobicContact CB-SD 4.23Å; H29-M51 HydrophobicContact CB-CE 3.48Å; H29-M51 VanDerWaalsContact CB-CE 3.48Å; I35-M51 HydrophobicContact CB-CG 3.76Å; I35-M51 HydrophobicContact CG2-CE 4.5Å; I35-M51 HydrophobicContact CG2-CG 3.67Å; I35-M51 HydrophobicContact CG2-SD 4.08Å; L37-M51 HydrophobicContact CD1-SD 4.48Å; L37-M51 HydrophobicContact CD2-SD 4.42Å; L37-M51 HydrophobicContact CG-SD 4.49Å; L47-M51 HydrophobicContact CB-CB 4.34Å; L47-M51 HydrophobicContact CD2-CB 4.39Å; L47-M51 HydrophobicContact CD2-CG 4.35Å; L47-M51 HydrophobicContact CD2-SD 3.95Å; P48-M51 HydrophobicContact CB-CB 4.41Å; P48-M51 HydrophobicContact CB-CE 4.29Å; P48-M51 HydrophobicContact CG-CE 3.7Å; P48-M51 HydrophobicContact CG-SD 4.36Å; P48-M51 VanDerWaalsContact O-CB 3.28Å; P48-M51 WeakPolarHBondContact O-CB 3.49Å; P48-M51 PolarHBondContact O-N 3.45Å; P48-M51 VanDerWaalsContact O-N 3.12Å; E49-M51 PolarHBondContact O-N 3Å; E49-M51 VanDerWaalsContact O-N 3.1Å
52M91.3Very high89Confident101 Ų10178.2 Ų78.250%0.49841%0.405SS..EExtended strand (participates in β ladder)trans-89.2145.3-178.2-61.3-165.2-56.800112.3I35 T36 L37I35-M52 PolarHBondContact O-N 3.32Å; T36-M52 CarbonylContact C-O 3.56Å; T36-M52 WeakPolarHBondContact CA-O 3.17Å; T36-M52 HydrophobicContact CG2-CB 4.43Å; T36-M52 VanDerWaalsContact OG1-CE 3.22Å; T36-M52 WeakPolarHBondContact OG1-CE 3.45Å; L37-M52 PolarHBondContact N-O 3.34Å
53F94.9Very high89.2Confident64 Ų6478.9 Ų78.928%0.28140%0.403SS..EExtended strand (participates in β ladder)trans-117.1129.1167.1167-110.7000110.6L37 D39 P42 L47 Q55L37-F53 HydrophobicContact CB-CD2 4.26Å; D39-F53 HydrophobicContact CB-CE2 4.32Å; P42-F53 VanDerWaalsContact CA-CZ 3.46Å; P42-F53 HydrophobicContact CB-CE1 3.82Å; P42-F53 HydrophobicContact CB-CZ 3.95Å; L47-F53 HydrophobicContact CD1-CB 3.78Å; F53-Q55 HydrophobicContact CE1-CB 3.72Å; F53-Q55 HydrophobicContact CE1-CG 4.42Å; F53-Q55 HydrophobicContact CE2-CB 4.47Å; F53-Q55 HydrophobicContact CZ-CB 3.52Å; F53-Q55 HydrophobicContact CZ-CG 3.91Å
54M93.3Very high89.3Confident53 Ų5377.6 Ų77.626%0.26140%0.395SS..EExtended strand (participates in β ladder)trans-117110.8171.2-173.1-178.7-56.100108.6T36 L37 F38 D39 G56 K66 A67T36-M54 HydrophobicContact CG2-CB 4.19Å; L37-M54 PolarHBondContact O-N 2.74Å; F38-M54 WeakPolarHBondContact CA-O 3.35Å; F38-M54 HydrophobicContact CD2-CB 4.18Å; F38-M54 HydrophobicContact CD2-CG 4.09Å; F38-M54 HydrophobicContact CD2-SD 4.14Å; F38-M54 HydrophobicContact CE2-CG 4.39Å; F38-M54 HydrophobicContact CE2-SD 4.28Å; D39-M54 PolarHBondContact N-O 2.96Å; M54-G56 PolarHBondContact O-N 2.94Å; M54-K66 HydrophobicContact SD-CG 4.48Å; M54-A67 HydrophobicContact SD-CB 3.73Å
55Q96.3Very high89.5Confident128 Ų12876.7 Ų76.760%0.59838%0.379SS*.EExtended strand (participates in β ladder)trans-70129.8173.9-166.1171.813.500110.1D39 T40 F53D39-Q55 WeakPolarHBondContact O-CA 3.08Å; T40-Q55 PolarHBondContact O-NE2 2.75Å; F53-Q55 HydrophobicContact CE1-CB 3.72Å; F53-Q55 HydrophobicContact CE1-CG 4.42Å; F53-Q55 HydrophobicContact CE2-CB 4.47Å; F53-Q55 HydrophobicContact CZ-CB 3.52Å; F53-Q55 HydrophobicContact CZ-CG 3.91Å
56G94.3Very high89.7Confident7 Ų778.2 Ų78.27%0.07238%0.384CS..  trans-179.3170174.200000113.8F38 D39 T40 M54F38-G56 VanDerWaalsContact CZ-C 3.47Å; D39-G56 CarbonylContact C-O 3.49Å; D39-G56 PolarHBondContact O-N 3.26Å; T40-G56 WeakPolarHBondContact CA-O 3.48Å; T40-G56 WeakPolarHBondContact CG2-O 3.4Å; T40-G56 PolarHBondContact N-O 2.83Å; T40-G56 VanDerWaalsContact N-O 3.14Å; M54-G56 PolarHBondContact O-N 2.94Å
57D95.6Very high89.8Confident24 Ų2469.5 Ų69.513%0.12834%0.344CS..  trans-114.9127.8-178.1-163.5-44.9000110.6T40 R59 E60T40-D57 HydrophobicContact CG2-CB 3.89Å; D57-R59 VanDerWaalsContact CG-NE 3.32Å; D57-R59 PolarHBondContact O-N 3.06Å; D57-R59 WeakPolarHBondContact OD1-CB 3.44Å; D57-R59 WeakPolarHBondContact OD1-CG 3.34Å; D57-R59 PolarHBondContact OD1-N 3.14Å; D57-R59 IonicContact OD1-NE 2.69Å; D57-R59 PolarHBondContact OD1-NE 3.04Å; D57-R59 IonicContact OD2-CZ 3.13Å; D57-R59 IonicContact OD2-NE 2.71Å; D57-R59 PolarHBondContact OD2-NE 3.37Å; D57-R59 IonicContact OD2-NH2 3.18Å; D57-R59 PolarHBondContact OD2-NH2 3.3Å; D57-E60 HydrophobicContact CB-CG 4.25Å; D57-E60 PolarHBondContact O-N 3.42Å
58I94.6Very high89.4Confident9 Ų967.7 Ų67.75%0.04634%0.335CS..THydrogen-bonded Turntrans-61.2-19.7178.260.6166.6000112.9T14 F38 E60 V64 A78 V96 G100 N103 I104T14-I58 HydrophobicContact CG2-CG2 4.23Å; F38-I58 HydrophobicContact CD1-CG2 3.98Å; F38-I58 HydrophobicContact CE1-CG2 3.73Å; I58-E60 VanDerWaalsContact C-N 3.26Å; I58-E60 PolarHBondContact O-N 3.34Å; I58-V64 HydrophobicContact CB-CG2 4.27Å; I58-V64 HydrophobicContact CG2-CG2 4.5Å; I58-V64 WeakPolarHBondContact O-CG2 3.31Å; I58-A78 HydrophobicContact CD1-CB 3.71Å; I58-A78 HydrophobicContact CG1-CB 4.45Å; I58-A78 HydrophobicContact CG2-CB 4.15Å; I58-V96 HydrophobicContact CD1-CG1 3.91Å; I58-V96 WeakPolarHBondContact CD1-O 3.48Å; I58-V96 HydrophobicContact CG1-CG1 4.47Å; I58-G100 VanDerWaalsContact O-CA 3.31Å; I58-G100 WeakPolarHBondContact O-CA 3.38Å; I58-N103 WeakPolarHBondContact O-CB 3.42Å; I58-N103 PolarHBondContact O-ND2 3.07Å; I58-I104 HydrophobicContact CG2-CG1 4.41Å
59R94.4Very high89.1Confident100 Ų10074.5 Ų74.538%0.37736%0.36SS..THydrogen-bonded Turntrans-69.2-23.3174.9-61.6177.2-66.6155.6-0.2112.8D57 A95 V96 N103D57-R59 VanDerWaalsContact CG-NE 3.32Å; D57-R59 PolarHBondContact O-N 3.06Å; D57-R59 WeakPolarHBondContact OD1-CB 3.44Å; D57-R59 WeakPolarHBondContact OD1-CG 3.34Å; D57-R59 PolarHBondContact OD1-N 3.14Å; D57-R59 IonicContact OD1-NE 2.69Å; D57-R59 PolarHBondContact OD1-NE 3.04Å; D57-R59 IonicContact OD2-CZ 3.13Å; D57-R59 IonicContact OD2-NE 2.71Å; D57-R59 PolarHBondContact OD2-NE 3.37Å; D57-R59 IonicContact OD2-NH2 3.18Å; D57-R59 PolarHBondContact OD2-NH2 3.3Å; R59-A95 HydrophobicContact CG-CB 4.38Å; R59-V96 HydrophobicContact CG-CG2 4.46Å; R59-N103 PolarHBondContact O-ND2 2.94Å
60E95Very high88.8Confident102 Ų10269.1 Ų69.148%0.47735%0.352SS..SBendtrans-98.399.5-177.9-60.8-52.5139.100110.9D57 I58 A62 Q63 V64D57-E60 HydrophobicContact CB-CG 4.25Å; D57-E60 PolarHBondContact O-N 3.42Å; I58-E60 VanDerWaalsContact C-N 3.26Å; I58-E60 PolarHBondContact O-N 3.34Å; E60-A62 VanDerWaalsContact C-N 3.33Å; E60-A62 PolarHBondContact O-N 3.46Å; E60-Q63 HydrophobicContact CB-CB 4.29Å; E60-Q63 HydrophobicContact CB-CG 3.9Å; E60-Q63 WeakPolarHBondContact O-CB 3.28Å; E60-Q63 PolarHBondContact O-N 2.81Å; E60-V64 PolarHBondContact O-N 3.22Å
61Y88Confident88.5Confident36 Ų3663.4 Ų63.414%0.14132%0.322CS..Hα-helixtrans-54-43.5-170.6176-104.5000114.1Q63 V64 E65 N103 R106 A107Y61-Q63 PolarHBondContact O-N 3.35Å; Y61-V64 WeakPolarHBondContact O-CB 3.4Å; Y61-V64 PolarHBondContact O-N 2.88Å; Y61-E65 HydrophobicContact CE1-CB 4.14Å; Y61-E65 HydrophobicContact CE1-CG 4.42Å; Y61-E65 WeakPolarHBondContact CE1-OE1 3.42Å; Y61-E65 HydrophobicContact CE2-CB 4.42Å; Y61-E65 VanDerWaalsContact CZ-OE1 3.29Å; Y61-E65 WeakPolarHBondContact O-CB 3.43Å; Y61-E65 PolarHBondContact O-N 3.3Å; Y61-E65 PolarHBondContact OH-OE1 2.84Å; Y61-N103 HydrophobicContact CD2-CB 4.17Å; Y61-R106 HydrophobicContact CD2-CB 4.24Å; Y61-R106 HydrophobicContact CD2-CG 4.04Å; Y61-R106 HydrophobicContact CE2-CB 3.79Å; Y61-R106 VanDerWaalsContact CE2-CD 3.4Å; Y61-R106 HydrophobicContact CE2-CG 3.41Å; Y61-R106 VanDerWaalsContact CE2-CG 3.41Å; Y61-A107 HydrophobicContact CE2-CB 4.09Å
62A88.9Confident87.3Confident70 Ų7068 Ų6858%0.57935%0.347SS*.Hα-helixtrans-63.4-27-18000000113.6E60 K66E60-A62 VanDerWaalsContact C-N 3.33Å; E60-A62 PolarHBondContact O-N 3.46Å; A62-K66 WeakPolarHBondContact O-CB 3.23Å; A62-K66 PolarHBondContact O-N 3.14Å
63Q93.6Very high86.7Confident81 Ų8164.8 Ų64.838%0.37933%0.334SS..Hα-helixtrans-76.5-37.3174.5-57.6-179.114.500110.6F38 E60 Y61 A67F38-Q63 HydrophobicContact CE2-CB 4.34Å; F38-Q63 HydrophobicContact CZ-CB 4.01Å; E60-Q63 HydrophobicContact CB-CB 4.29Å; E60-Q63 HydrophobicContact CB-CG 3.9Å; E60-Q63 WeakPolarHBondContact O-CB 3.28Å; E60-Q63 PolarHBondContact O-N 2.81Å; Y61-Q63 PolarHBondContact O-N 3.35Å; Q63-A67 WeakPolarHBondContact O-CB 3.24Å; Q63-A67 PolarHBondContact O-N 3.44Å; Q63-A67 VanDerWaalsContact O-N 3.09Å
64V89.5Confident86.1Confident0 Ų063.5 Ų63.50%033%0.331CS..Hα-helixtrans-67.4-46.9176178.10000111.9F38 I58 E60 Y61 K66 A67 V68 N103 I104 A107F38-V64 HydrophobicContact CE1-CG2 4.26Å; F38-V64 HydrophobicContact CZ-CG2 4.4Å; I58-V64 HydrophobicContact CB-CG2 4.27Å; I58-V64 HydrophobicContact CG2-CG2 4.5Å; I58-V64 WeakPolarHBondContact O-CG2 3.31Å; E60-V64 PolarHBondContact O-N 3.22Å; Y61-V64 WeakPolarHBondContact O-CB 3.4Å; Y61-V64 PolarHBondContact O-N 2.88Å; V64-K66 VanDerWaalsContact C-N 3.32Å; V64-K66 PolarHBondContact O-N 2.98Å; V64-A67 PolarHBondContact O-N 3.45Å; V64-V68 HydrophobicContact CG1-CG2 4.21Å; V64-V68 WeakPolarHBondContact O-CG2 3.42Å; V64-V68 PolarHBondContact O-N 2.91Å; V64-N103 HydrophobicContact CG2-CB 4.28Å; V64-I104 HydrophobicContact CG1-CB 4.46Å; V64-I104 HydrophobicContact CG1-CD1 3.38Å; V64-I104 HydrophobicContact CG1-CG1 3.84Å; V64-A107 HydrophobicContact CG1-CB 3.81Å
65E85.1Confident85.8Confident95 Ų9561.8 Ų61.844%0.44432%0.322SS..Hα-helixtrans-55.7-47.2176.2-178.1174.7-105.200111.2Y61 A67 V68 F69Y61-E65 HydrophobicContact CE1-CB 4.14Å; Y61-E65 HydrophobicContact CE1-CG 4.42Å; Y61-E65 WeakPolarHBondContact CE1-OE1 3.42Å; Y61-E65 HydrophobicContact CE2-CB 4.42Å; Y61-E65 VanDerWaalsContact CZ-OE1 3.29Å; Y61-E65 WeakPolarHBondContact O-CB 3.43Å; Y61-E65 PolarHBondContact O-N 3.3Å; Y61-E65 PolarHBondContact OH-OE1 2.84Å; E65-A67 VanDerWaalsContact C-N 3.3Å; E65-A67 PolarHBondContact O-N 2.64Å; E65-V68 PolarHBondContact O-N 2.81Å; E65-F69 PolarHBondContact O-N 2.92Å; E65-F69 VanDerWaalsContact O-N 3.12Å
66K85.7Confident85.5Confident152 Ų15258.3 Ų58.366%0.66131%0.306SS*.Hα-helixtrans-61.1-35.8173.9-174.8-178.5178.1-175.70113.2M54 A62 V64M54-K66 HydrophobicContact SD-CG 4.48Å; A62-K66 WeakPolarHBondContact O-CB 3.23Å; A62-K66 PolarHBondContact O-N 3.14Å; V64-K66 VanDerWaalsContact C-N 3.32Å; V64-K66 PolarHBondContact O-N 2.98Å
67A86.3Confident85.4Confident4 Ų459.4 Ų59.43%0.03331%0.31CS..Hα-helixtrans-77.2-31.7-178.400000113.3L12 F38 M54 Q63 V64 E65L12-A67 HydrophobicContact CD1-CB 4.14Å; L12-A67 WeakPolarHBondContact CD1-O 3.19Å; L12-A67 HydrophobicContact CD2-CB 4.06Å; L12-A67 WeakPolarHBondContact CD2-O 3.26Å; F38-A67 HydrophobicContact CD2-CB 3.48Å; F38-A67 VanDerWaalsContact CD2-CB 3.48Å; F38-A67 HydrophobicContact CE2-CB 3.7Å; F38-A67 HydrophobicContact CG-CB 4.02Å; F38-A67 HydrophobicContact CZ-CB 4.41Å; M54-A67 HydrophobicContact SD-CB 3.73Å; Q63-A67 WeakPolarHBondContact O-CB 3.24Å; Q63-A67 PolarHBondContact O-N 3.44Å; Q63-A67 VanDerWaalsContact O-N 3.09Å; V64-A67 PolarHBondContact O-N 3.45Å; E65-A67 VanDerWaalsContact C-N 3.3Å; E65-A67 PolarHBondContact O-N 2.64Å
68V79.3Confident85.2Confident18 Ų1859 Ų5911%0.10931%0.31CS..Hα-helixtrans-83.1-19.2178.5173.90000112.1L12 V64 E65 G70 V71 V74 I104 A107L12-V68 HydrophobicContact CD2-CB 4.5Å; L12-V68 HydrophobicContact CD2-CG2 3.65Å; V64-V68 HydrophobicContact CG1-CG2 4.21Å; V64-V68 WeakPolarHBondContact O-CG2 3.42Å; V64-V68 PolarHBondContact O-N 2.91Å; E65-V68 PolarHBondContact O-N 2.81Å; V68-G70 PolarHBondContact O-N 2.93Å; V68-G70 VanDerWaalsContact O-N 3.14Å; V68-V71 HydrophobicContact CG1-CG2 4.47Å; V68-V71 WeakPolarHBondContact O-CG2 3.36Å; V68-V71 PolarHBondContact O-N 2.79Å; V68-V74 HydrophobicContact CG1-CG2 4.34Å; V68-V74 HydrophobicContact CG2-CG2 4.17Å; V68-I104 HydrophobicContact CG2-CD1 4.22Å; V68-A107 HydrophobicContact CB-CB 3.99Å; V68-A107 HydrophobicContact CG1-CB 4.22Å; V68-A107 HydrophobicContact CG2-CB 3.93Å
69F76.9Confident85.1Confident186 Ų18660.6 Ų60.682%0.81632%0.322SS*.THydrogen-bonded Turntrans-59.3118.4179.9-173.8-92.2000112.6E65E65-F69 PolarHBondContact O-N 2.92Å; E65-F69 VanDerWaalsContact O-N 3.12Å
70G67.8Low84.9Confident61 Ų6158.1 Ų58.163%0.62931%0.313SS*.THydrogen-bonded Turntrans78.420.3175.500000115.6V68V68-G70 PolarHBondContact O-N 2.93Å; V68-G70 VanDerWaalsContact O-N 3.14Å
71V77.4Confident84.5Confident30 Ų3053.8 Ų53.818%0.18230%0.295CS..  trans-104.3140.4175.8-42.80000111.5V10 L12 V68 V74V10-V71 HydrophobicContact CG1-CB 4.21Å; V10-V71 HydrophobicContact CG1-CG1 4Å; V10-V71 CarbonylContact O-C 3.48Å; L12-V71 HydrophobicContact CB-CB 4.35Å; L12-V71 HydrophobicContact CB-CG1 4.22Å; L12-V71 HydrophobicContact CB-CG2 3.99Å; V68-V71 HydrophobicContact CG1-CG2 4.47Å; V68-V71 WeakPolarHBondContact O-CG2 3.36Å; V68-V71 PolarHBondContact O-N 2.79Å; V71-V74 HydrophobicContact CG2-CG2 3.72Å
72D65.4Low84.1Confident106 Ų10655.4 Ų55.457%0.56731%0.305SS*.SBendtrans-81.9-28.3-178.7-59.2-72000112.7N9 V10N9-D72 WeakPolarHBondContact CA-OD2 3.22Å; N9-D72 HydrophobicContact CB-CB 4.4Å; V10-D72 PolarHBondContact N-OD2 2.76Å; V10-D72 PolarHBondContact O-N 3.47Å
73C78.3Confident83.7Confident34 Ų3452.3 Ų52.323%0.2328%0.279CS..EExtended strand (participates in β ladder)trans-147.8143.9177.7-162.90000112.2V10 F11 L12 F75V10-C73 PolarHBondContact O-N 3.42Å; F11-C73 WeakPolarHBondContact CA-O 3.44Å; F11-C73 HydrophobicContact CD1-CB 3.49Å; F11-C73 VanDerWaalsContact CD1-CB 3.49Å; F11-C73 HydrophobicContact CE1-CB 3.68Å; F11-C73 HydrophobicContact CG-CB 4.49Å; L12-C73 PolarHBondContact N-O 3.01Å; C73-F75 HydrophobicContact CB-CE2 4.48Å
74V83.3Confident83Confident37 Ų3748.6 Ų48.622%0.22426%0.263CS..EExtended strand (participates in β ladder)trans-115.7111.4174.7-176.80000109.7L12 T14 V68 V71 H76 I104L12-V74 HydrophobicContact CB-CG1 4.42Å; L12-V74 HydrophobicContact CB-CG2 4.21Å; L12-V74 HydrophobicContact CD2-CG1 4.13Å; L12-V74 HydrophobicContact CD2-CG2 4.2Å; L12-V74 CarbonylContact O-C 3.58Å; L12-V74 WeakPolarHBondContact O-CA 3.45Å; T14-V74 HydrophobicContact CG2-CG1 4.32Å; V68-V74 HydrophobicContact CG1-CG2 4.34Å; V68-V74 HydrophobicContact CG2-CG2 4.17Å; V71-V74 HydrophobicContact CG2-CG2 3.72Å; V74-H76 PolarHBondContact O-N 3.01Å; V74-I104 HydrophobicContact CG1-CD1 4.38Å; V74-I104 HydrophobicContact CG1-CG2 4.14Å
75F85.9Confident82.5Confident17 Ų1754 Ų548%0.07528%0.283CS..EExtended strand (participates in β ladder)trans-85.596.2167.3-64.2-89.2000109F11 L12 L13 T14 L24 L28 C73 I77 H193 A197F11-F75 HydrophobicContact CB-CD2 4.32Å; F11-F75 HydrophobicContact CB-CE2 4.17Å; F11-F75 HydrophobicContact CD1-CE2 4.34Å; F11-F75 AromaticContact CD2-CE2 3.97Å; F11-F75 HydrophobicContact CD2-CE2 3.97Å; F11-F75 HydrophobicContact CE2-CE2 4.4Å; F11-F75 AromaticContact CG-CE2 3.93Å; F11-F75 HydrophobicContact CG-CE2 3.93Å; L12-F75 PolarHBondContact O-N 3.2Å; L13-F75 HydrophobicContact CD2-CB 4.28Å; L13-F75 HydrophobicContact CG-CB 4.09Å; L13-F75 HydrophobicContact CG-CD2 4.37Å; T14-F75 PolarHBondContact N-O 2.84Å; T14-F75 VanDerWaalsContact N-O 3.14Å; L24-F75 HydrophobicContact CD2-CB 4.11Å; L24-F75 HydrophobicContact CD2-CD1 3.65Å; L24-F75 HydrophobicContact CD2-CE1 4.21Å; L24-F75 HydrophobicContact CD2-CG 3.91Å; L28-F75 HydrophobicContact CD1-CD2 3.9Å; L28-F75 HydrophobicContact CD1-CE2 3.53Å; L28-F75 HydrophobicContact CD1-CZ 3.9Å; L28-F75 HydrophobicContact CD2-CE2 4.33Å; L28-F75 HydrophobicContact CD2-CZ 4.08Å; C73-F75 HydrophobicContact CB-CE2 4.48Å; F75-I77 HydrophobicContact CB-CD1 4.23Å; F75-I77 PolarHBondContact O-N 3.27Å; F75-H193 HydrophobicContact CE1-CB 4.36Å; F75-A197 HydrophobicContact CE1-CB 3.93Å; F75-A197 HydrophobicContact CZ-CB 3.77Å
76H90.9Very high82.5Confident55 Ų5551.5 Ų51.526%0.25527%0.271SS..EExtended strand (participates in β ladder)trans-82.996.3-178.3-176.658.8000112.2T14 V74 T101 I104T14-H76 VanDerWaalsContact OG1-CA 3.32Å; T14-H76 WeakPolarHBondContact OG1-CA 3.41Å; T14-H76 PolarHBondContact OG1-ND1 3.45Å; V74-H76 PolarHBondContact O-N 3.01Å; H76-T101 PolarHBondContact NE2-OG1 2.95Å; H76-I104 HydrophobicContact CB-CG2 4.32Å
77I91.3Very high82.4Confident31 Ų3145.4 Ų45.416%0.15925%0.245CC..  trans-112.2-19.6-174.5-64.2164000112.1L13 T14 F20 L24 F75 S79L13-I77 HydrophobicContact CD2-CD1 4.36Å; T14-I77 CarbonylContact O-C 3.56Å; T14-I77 WeakPolarHBondContact O-CA 3.46Å; T14-I77 VanDerWaalsContact O-CB 3.3Å; T14-I77 WeakPolarHBondContact O-CB 3.43Å; T14-I77 PolarHBondContact O-N 3.05Å; T14-I77 PolarHBondContact OG1-N 3.2Å; T14-I77 VanDerWaalsContact OG1-N 3.12Å; F20-I77 HydrophobicContact CD1-CD1 3.86Å; F20-I77 HydrophobicContact CD1-CG1 4.16Å; F20-I77 HydrophobicContact CD1-CG2 3.75Å; F20-I77 HydrophobicContact CE1-CD1 3.59Å; F20-I77 HydrophobicContact CE1-CG1 3.99Å; F20-I77 HydrophobicContact CE1-CG2 4.43Å; L24-I77 HydrophobicContact CD2-CD1 3.65Å; F75-I77 HydrophobicContact CB-CD1 4.23Å; F75-I77 PolarHBondContact O-N 3.27Å; I77-S79 PolarHBondContact O-N 3.34Å; I77-S79 VanDerWaalsContact O-N 3.14Å; I77-S79 PolarHBondContact O-OG 2.89Å
78A92.1Very high82.2Confident15 Ų1547.9 Ų47.912%0.12426%0.258CS..  trans-50.8117.9-178.600000112.4T14 I58T14-A78 PolarHBondContact O-N 3.12Å; T14-A78 WeakPolarHBondContact OG1-CB 3.43Å; T14-A78 PolarHBondContact OG1-N 3.27Å; I58-A78 HydrophobicContact CD1-CB 3.71Å; I58-A78 HydrophobicContact CG1-CB 4.45Å; I58-A78 HydrophobicContact CG2-CB 4.15Å
79S91.1Very high82.5Confident42 Ų4250.2 Ų50.229%0.29427%0.269SS..  trans-156.5153.6177.162.50000115.5I77 N97 K117I77-S79 PolarHBondContact O-N 3.34Å; I77-S79 VanDerWaalsContact O-N 3.14Å; I77-S79 PolarHBondContact O-OG 2.89Å; S79-N97 WeakPolarHBondContact CA-OD1 3.38Å; S79-N97 WeakPolarHBondContact CB-OD1 3.42Å; S79-K117 PolarHBondContact OG-NZ 2.81Å
80Y90.9Very high82.8Confident49 Ų4949.9 Ų49.919%0.19226%0.263CS..  trans-127151.8-176.2-174.8-91.8000112.1E86 N89 L92 I93 N97Y80-E86 HydrophobicContact CE1-CB 3.94Å; Y80-E86 HydrophobicContact CE1-CG 4.49Å; Y80-E86 WeakPolarHBondContact CE1-O 3.44Å; Y80-E86 HydrophobicContact CE2-CB 4.07Å; Y80-E86 HydrophobicContact CE2-CG 3.78Å; Y80-E86 WeakPolarHBondContact OH-CG 3.4Å; Y80-N89 HydrophobicContact CE1-CB 4.18Å; Y80-L92 HydrophobicContact CD1-CB 4.15Å; Y80-L92 HydrophobicContact CD1-CD2 4.26Å; Y80-L92 HydrophobicContact CD1-CG 3.93Å; Y80-L92 HydrophobicContact CD2-CD2 4.26Å; Y80-L92 HydrophobicContact CD2-CG 4.49Å; Y80-L92 HydrophobicContact CE1-CB 3.93Å; Y80-L92 HydrophobicContact CE1-CD2 3.83Å; Y80-L92 HydrophobicContact CE1-CG 3.89Å; Y80-L92 HydrophobicContact CE2-CD2 3.81Å; Y80-L92 HydrophobicContact CE2-CG 4.45Å; Y80-L92 HydrophobicContact CG-CD2 4.47Å; Y80-L92 HydrophobicContact CG-CG 4.24Å; Y80-I93 HydrophobicContact CD1-CG1 3.8Å; Y80-I93 HydrophobicContact CE1-CG1 4.22Å; Y80-N97 PolarHBondContact N-OD1 3.34Å; Y80-N97 PolarHBondContact O-ND2 2.81Å
81G86Confident83.7Confident10 Ų1054.2 Ų54.210%0.10327%0.266CS..  trans70.835.1173.900000116.3Q87G81-Q87 VanDerWaalsContact O-CG 3.29Å; G81-Q87 WeakPolarHBondContact O-CG 3.21Å
82M81.4Confident84.2Confident71 Ų7154.5 Ų54.535%0.3527%0.267SS..SBendtrans-79.2-26.8174.7-64.8-56.1-66.900113.4Q87 K117M82-Q87 PolarHBondContact O-NE2 3.03Å; M82-K117 HydrophobicContact SD-CD 4.34Å; M82-K117 PolarHBondContact SD-NZ 2.87Å
83S78.8Confident85.1Confident4 Ų450.9 Ų50.93%0.02825%0.247CC..SBendtrans-143160.4-175.29.60000110.5R156 H157S83-R156 WeakPolarHBondContact OG-CB 3.31Å; S83-H157 WeakPolarHBondContact CB-CE1 3.39Å; S83-H157 VanDerWaalsContact CB-NE2 3.34Å; S83-H157 WeakPolarHBondContact CB-NE2 3.46Å; S83-H157 PolarHBondContact OG-CD2 3.21Å; S83-H157 PolarHBondContact OG-CE1 3.03Å; S83-H157 PolarHBondContact OG-NE2 3.04Å
84G80.3Confident85.4Confident4 Ų451.3 Ų51.34%0.04125%0.245CC..SBendtrans70.8-160.6160.600000114.5E86 Q87 E276G84-E86 PolarHBondContact O-N 2.73Å; G84-Q87 WeakPolarHBondContact O-CB 3.35Å; G84-Q87 PolarHBondContact O-N 3.5Å; G84-Q87 VanDerWaalsContact O-N 3.1Å; G84-E276 PolarHBondContact N-OE1 3.32Å
85R78.5Confident85.7Confident113 Ų11350.5 Ų50.543%0.42624%0.243SC..G310 helixtrans-59.9-26.2178.963.8178.9-172.4164.73.3112.3Q87 L88 Q269R85-Q87 PolarHBondContact O-N 2.99Å; R85-L88 VanDerWaalsContact O-CB 3.31Å; R85-L88 WeakPolarHBondContact O-CB 3.37Å; R85-L88 PolarHBondContact O-N 3.35Å; R85-Q269 HydrophobicContact CB-CB 4.49Å; R85-Q269 HydrophobicContact CB-CG 4.02Å
86E85.9Confident85.9Confident42 Ų4250.6 Ų50.620%0.19625%0.245CC..G310 helixtrans-60.5-25.8178.1-66.762.7-145.800111.4Y80 G84 L88 N89Y80-E86 HydrophobicContact CE1-CB 3.94Å; Y80-E86 HydrophobicContact CE1-CG 4.49Å; Y80-E86 WeakPolarHBondContact CE1-O 3.44Å; Y80-E86 HydrophobicContact CE2-CB 4.07Å; Y80-E86 HydrophobicContact CE2-CG 3.78Å; Y80-E86 WeakPolarHBondContact OH-CG 3.4Å; G84-E86 PolarHBondContact O-N 2.73Å; E86-L88 PolarHBondContact O-N 2.79Å; E86-N89 PolarHBondContact O-N 2.85Å
87Q82.3Confident85.8Confident25 Ų2548.4 Ų48.412%0.11724%0.235CC..G310 helixtrans-63.5-22.7171.7-72.5179.2-3.800114G81 M82 G84 R85 I93 T273G81-Q87 VanDerWaalsContact O-CG 3.29Å; G81-Q87 WeakPolarHBondContact O-CG 3.21Å; M82-Q87 PolarHBondContact O-NE2 3.03Å; G84-Q87 WeakPolarHBondContact O-CB 3.35Å; G84-Q87 PolarHBondContact O-N 3.5Å; G84-Q87 VanDerWaalsContact O-N 3.1Å; R85-Q87 PolarHBondContact O-N 2.99Å; Q87-I93 WeakPolarHBondContact O-CD1 3.29Å; Q87-T273 HydrophobicContact CB-CG2 4.46Å; Q87-T273 PolarHBondContact OE1-OG1 3.26Å
88L82.7Confident85.4Confident56 Ų5647 Ų4729%0.29323%0.228SC..G310 helixtrans-84-20.9-176.5-52.6176.9000111.8R85 E86 R90 E256 H259 P270 T273R85-L88 VanDerWaalsContact O-CB 3.31Å; R85-L88 WeakPolarHBondContact O-CB 3.37Å; R85-L88 PolarHBondContact O-N 3.35Å; E86-L88 PolarHBondContact O-N 2.79Å; L88-R90 VanDerWaalsContact C-N 3.33Å; L88-R90 PolarHBondContact O-N 2.92Å; L88-E256 HydrophobicContact CD2-CG 4.01Å; L88-H259 WeakPolarHBondContact CD1-CD2 3.43Å; L88-P270 HydrophobicContact CD1-CG 4Å; L88-T273 HydrophobicContact CD2-CG2 3.96Å; L88-T273 HydrophobicContact CG-CG2 4.48Å
89N85.3Confident85.2Confident67 Ų6750 Ų5036%0.35824%0.239SC..  trans-84.973.5178.4-172.2-14.1000111.4Y80 E86 H91 L92 I93Y80-N89 HydrophobicContact CE1-CB 4.18Å; E86-N89 PolarHBondContact O-N 2.85Å; N89-H91 PolarHBondContact O-N 3.3Å; N89-L92 HydrophobicContact CB-CB 4.41Å; N89-L92 VanDerWaalsContact CG-CB 3.49Å; N89-L92 WeakPolarHBondContact ND2-CB 3.44Å; N89-L92 PolarHBondContact O-N 3.06Å; N89-L92 WeakPolarHBondContact OD1-CB 3.35Å; N89-L92 PolarHBondContact OD1-N 2.86Å; N89-I93 VanDerWaalsContact O-CG1 3.29Å; N89-I93 WeakPolarHBondContact O-CG1 3.17Å; N89-I93 PolarHBondContact O-N 2.97Å
90R84.1Confident85.1Confident179 Ų17948 Ų4868%0.67523%0.225SC*.Hα-helixtrans-55.2-35.5-179.1-171175.9-177.2174.32.7113.5L88 E94L88-R90 VanDerWaalsContact C-N 3.33Å; L88-R90 PolarHBondContact O-N 2.92Å; R90-E94 WeakPolarHBondContact O-CB 3.5Å; R90-E94 PolarHBondContact O-N 3.14Å
91H86.3Confident84.9Confident151 Ų15146 Ų4670%0.69922%0.219SC*.Hα-helixtrans-64.5-48.7178.5-178.9-84.9000111.7N89 E94 A95N89-H91 PolarHBondContact O-N 3.3Å; H91-E94 PolarHBondContact O-N 2.8Å; H91-A95 WeakPolarHBondContact O-CB 3.33Å; H91-A95 PolarHBondContact O-N 3.32Å
92L88.3Confident84.8Confident37 Ų3747.4 Ų47.419%0.19422%0.222CC..Hα-helixtrans-72.4-33.1-179.9-17157.2000112.4Y80 N89 E94 A95 V96Y80-L92 HydrophobicContact CD1-CB 4.15Å; Y80-L92 HydrophobicContact CD1-CD2 4.26Å; Y80-L92 HydrophobicContact CD1-CG 3.93Å; Y80-L92 HydrophobicContact CD2-CD2 4.26Å; Y80-L92 HydrophobicContact CD2-CG 4.49Å; Y80-L92 HydrophobicContact CE1-CB 3.93Å; Y80-L92 HydrophobicContact CE1-CD2 3.83Å; Y80-L92 HydrophobicContact CE1-CG 3.89Å; Y80-L92 HydrophobicContact CE2-CD2 3.81Å; Y80-L92 HydrophobicContact CE2-CG 4.45Å; Y80-L92 HydrophobicContact CG-CD2 4.47Å; Y80-L92 HydrophobicContact CG-CG 4.24Å; N89-L92 HydrophobicContact CB-CB 4.41Å; N89-L92 VanDerWaalsContact CG-CB 3.49Å; N89-L92 WeakPolarHBondContact ND2-CB 3.44Å; N89-L92 PolarHBondContact O-N 3.06Å; N89-L92 WeakPolarHBondContact OD1-CB 3.35Å; N89-L92 PolarHBondContact OD1-N 2.86Å; L92-E94 VanDerWaalsContact C-N 3.29Å; L92-E94 PolarHBondContact O-N 3.37Å; L92-A95 PolarHBondContact O-N 2.82Å; L92-V96 HydrophobicContact CD1-CG2 3.85Å; L92-V96 HydrophobicContact CG-CG2 4.23Å; L92-V96 WeakPolarHBondContact O-CB 3.45Å; L92-V96 WeakPolarHBondContact O-CG2 3.27Å; L92-V96 PolarHBondContact O-N 3.41Å
93I84.1Confident85.1Confident29 Ų2944.4 Ų44.415%0.14921%0.207CC..Hα-helixtrans-55.8-46.2168.8-70.2171.7000110.7Y80 Q87 N89 N97Y80-I93 HydrophobicContact CD1-CG1 3.8Å; Y80-I93 HydrophobicContact CE1-CG1 4.22Å; Q87-I93 WeakPolarHBondContact O-CD1 3.29Å; N89-I93 VanDerWaalsContact O-CG1 3.29Å; N89-I93 WeakPolarHBondContact O-CG1 3.17Å; N89-I93 PolarHBondContact O-N 2.97Å; I93-N97 WeakPolarHBondContact O-CB 3.45Å; I93-N97 PolarHBondContact O-N 2.87Å; I93-N97 PolarHBondContact O-ND2 3.04Å
94E83.6Confident85.5Confident43 Ų4344.5 Ų44.520%0.20121%0.207CC..Hα-helixtrans-68.1-49.8178-175.4169.5179.600111.5R90 H91 L92 V96 V98 Q99 R115R90-E94 WeakPolarHBondContact O-CB 3.5Å; R90-E94 PolarHBondContact O-N 3.14Å; H91-E94 PolarHBondContact O-N 2.8Å; L92-E94 VanDerWaalsContact C-N 3.29Å; L92-E94 PolarHBondContact O-N 3.37Å; E94-V96 PolarHBondContact O-N 2.88Å; E94-V98 HydrophobicContact CG-CB 4.31Å; E94-V98 HydrophobicContact CG-CG2 4.09Å; E94-V98 WeakPolarHBondContact O-CA 3.38Å; E94-V98 WeakPolarHBondContact O-CB 3.35Å; E94-V98 WeakPolarHBondContact O-CG2 3.37Å; E94-V98 PolarHBondContact O-N 3.26Å; E94-Q99 PolarHBondContact O-N 2.98Å; E94-R115 HydrophobicContact CG-CG 4.37Å; E94-R115 WeakPolarHBondContact OE1-CD 3.42Å; E94-R115 WeakPolarHBondContact OE1-CG 3.48Å; E94-R115 IonicContact OE1-CZ 3.3Å; E94-R115 IonicContact OE1-NE 2.67Å; E94-R115 PolarHBondContact OE1-NE 3.09Å; E94-R115 IonicContact OE1-NH2 3.12Å; E94-R115 IonicContact OE2-CZ 3.63Å; E94-R115 VanDerWaalsContact OE2-CZ 3.28Å; E94-R115 IonicContact OE2-NE 3.53Å; E94-R115 PolarHBondContact OE2-NE 3.36Å; E94-R115 IonicContact OE2-NH2 2.83Å; E94-R115 PolarHBondContact OE2-NH2 2.98Å
95A89.7Confident85.5Confident21 Ų2145 Ų4517%0.17421%0.209CC..Iπ-helixtrans-56.3-46.7179.900000112.5R59 H91 L92 Q99 G100R59-A95 HydrophobicContact CG-CB 4.38Å; H91-A95 WeakPolarHBondContact O-CB 3.33Å; H91-A95 PolarHBondContact O-N 3.32Å; L92-A95 PolarHBondContact O-N 2.82Å; A95-Q99 WeakPolarHBondContact O-CB 3.38Å; A95-Q99 PolarHBondContact O-N 2.92Å; A95-G100 PolarHBondContact O-N 3.45Å
96V90.6Very high85.6Confident19 Ų1944.8 Ų44.812%0.11521%0.208CC..Iπ-helixtrans-73.9-60.5179.9177.40000111.2I58 R59 L92 E94 V98 G100I58-V96 HydrophobicContact CD1-CG1 3.91Å; I58-V96 WeakPolarHBondContact CD1-O 3.48Å; I58-V96 HydrophobicContact CG1-CG1 4.47Å; R59-V96 HydrophobicContact CG-CG2 4.46Å; L92-V96 HydrophobicContact CD1-CG2 3.85Å; L92-V96 HydrophobicContact CG-CG2 4.23Å; L92-V96 WeakPolarHBondContact O-CB 3.45Å; L92-V96 WeakPolarHBondContact O-CG2 3.27Å; L92-V96 PolarHBondContact O-N 3.41Å; E94-V96 PolarHBondContact O-N 2.88Å; V96-V98 VanDerWaalsContact C-N 3.27Å; V96-V98 PolarHBondContact O-N 2.9Å; V96-G100 WeakPolarHBondContact O-CA 3.48Å; V96-G100 PolarHBondContact O-N 2.84Å
97N89.3Confident85.2Confident8 Ų844 Ų444%0.04321%0.208CC..Iπ-helixtrans-75-17.2-168.3-57.1-29.1000113.2S79 Y80 I93 T101 T116 K117 A120S79-N97 WeakPolarHBondContact CA-OD1 3.38Å; S79-N97 WeakPolarHBondContact CB-OD1 3.42Å; Y80-N97 PolarHBondContact N-OD1 3.34Å; Y80-N97 PolarHBondContact O-ND2 2.81Å; I93-N97 WeakPolarHBondContact O-CB 3.45Å; I93-N97 PolarHBondContact O-N 2.87Å; I93-N97 PolarHBondContact O-ND2 3.04Å; N97-T101 PolarHBondContact O-OG1 3.48Å; N97-T116 WeakPolarHBondContact CB-O 3.14Å; N97-K117 HydrophobicContact CB-CG 4.15Å; N97-A120 WeakPolarHBondContact O-CB 3.25Å
98V83.2Confident84.6Confident3 Ų344.1 Ų44.12%0.01821%0.212CC..Iπ-helixtrans-111.3-65.6-179.6-172.80000111.2E94 V96 G100 T101 K102 S114E94-V98 HydrophobicContact CG-CB 4.31Å; E94-V98 HydrophobicContact CG-CG2 4.09Å; E94-V98 WeakPolarHBondContact O-CA 3.38Å; E94-V98 WeakPolarHBondContact O-CB 3.35Å; E94-V98 WeakPolarHBondContact O-CG2 3.37Å; E94-V98 PolarHBondContact O-N 3.26Å; V96-V98 VanDerWaalsContact C-N 3.27Å; V96-V98 PolarHBondContact O-N 2.9Å; V98-G100 VanDerWaalsContact C-N 3.31Å; V98-G100 PolarHBondContact O-N 2.85Å; V98-T101 PolarHBondContact O-N 3.48Å; V98-K102 WeakPolarHBondContact O-CG 3.18Å; V98-K102 PolarHBondContact O-N 2.84Å; V98-S114 WeakPolarHBondContact CG1-OG 3.43Å
99Q86.2Confident83.7Confident77 Ų7743.3 Ų43.336%0.3621%0.209SC..Iπ-helixtrans-68.5-37.6-173-171.256.645.200110.3E94 A95 K102 N103E94-Q99 PolarHBondContact O-N 2.98Å; A95-Q99 WeakPolarHBondContact O-CB 3.38Å; A95-Q99 PolarHBondContact O-N 2.92Å; Q99-K102 WeakPolarHBondContact O-CB 3.48Å; Q99-K102 PolarHBondContact O-N 2.93Å; Q99-N103 PolarHBondContact NE2-OD1 2.82Å; Q99-N103 WeakPolarHBondContact O-CB 3.46Å; Q99-N103 PolarHBondContact O-N 3.29Å; Q99-N103 PolarHBondContact O-OD1 3.14Å
100G89Confident82.4Confident0 Ų044.4 Ų44.40%021%0.212CC..Iπ-helixtrans-62.8-40.9171.100000114I58 A95 V96 V98 N103 I104I58-G100 VanDerWaalsContact O-CA 3.31Å; I58-G100 WeakPolarHBondContact O-CA 3.38Å; A95-G100 PolarHBondContact O-N 3.45Å; V96-G100 WeakPolarHBondContact O-CA 3.48Å; V96-G100 PolarHBondContact O-N 2.84Å; V98-G100 VanDerWaalsContact C-N 3.31Å; V98-G100 PolarHBondContact O-N 2.85Å; G100-N103 PolarHBondContact O-N 3.2Å; G100-I104 PolarHBondContact O-N 3.32Å
101T87.8Confident79.9Confident8 Ų843.1 Ų43.15%0.04922%0.219CC..Hα-helixtrans-66.8-39173.9-48.70000112.3H76 N97 V98 N103 I104 L105 A120 V124H76-T101 PolarHBondContact NE2-OG1 2.95Å; N97-T101 PolarHBondContact O-OG1 3.48Å; V98-T101 PolarHBondContact O-N 3.48Å; T101-N103 VanDerWaalsContact C-N 3.3Å; T101-N103 PolarHBondContact O-N 2.98Å; T101-I104 PolarHBondContact O-N 3.23Å; T101-L105 HydrophobicContact CG2-CD1 4.27Å; T101-L105 WeakPolarHBondContact O-CG 3.13Å; T101-L105 PolarHBondContact O-N 2.83Å; T101-A120 HydrophobicContact CG2-CB 3.82Å; T101-V124 HydrophobicContact CG2-CG2 4.41Å
102K83.5Confident77.3Confident38 Ų3838.5 Ų38.517%0.16521%0.212CC..Hα-helixtrans-61-39.7170.6-71.8-176.5-155.5155.50111.5V98 Q99 I104 L105 R106 V113 S114V98-K102 WeakPolarHBondContact O-CG 3.18Å; V98-K102 PolarHBondContact O-N 2.84Å; Q99-K102 WeakPolarHBondContact O-CB 3.48Å; Q99-K102 PolarHBondContact O-N 2.93Å; K102-I104 VanDerWaalsContact C-N 3.32Å; K102-L105 PolarHBondContact O-N 3.49Å; K102-R106 WeakPolarHBondContact O-CA 3.36Å; K102-R106 WeakPolarHBondContact O-CB 3.5Å; K102-R106 PolarHBondContact O-N 3.42Å; K102-V113 WeakPolarHBondContact CE-O 3.3Å; K102-V113 WeakPolarHBondContact CG-O 3.35Å; K102-S114 VanDerWaalsContact CE-CB 3.48Å; K102-S114 VanDerWaalsContact CE-OG 3.3Å; K102-S114 WeakPolarHBondContact CE-OG 3.44Å; K102-S114 PolarHBondContact NZ-OG 3.42Å
103N88.7Confident74.4Confident8 Ų842.1 Ų42.14%0.04324%0.236CC..Hα-helixtrans-66.5-36.7179.2-69.6-8.5000111.3I58 R59 Y61 V64 Q99 G100 T101 R106 A107I58-N103 WeakPolarHBondContact O-CB 3.42Å; I58-N103 PolarHBondContact O-ND2 3.07Å; R59-N103 PolarHBondContact O-ND2 2.94Å; Y61-N103 HydrophobicContact CD2-CB 4.17Å; V64-N103 HydrophobicContact CG2-CB 4.28Å; Q99-N103 PolarHBondContact NE2-OD1 2.82Å; Q99-N103 WeakPolarHBondContact O-CB 3.46Å; Q99-N103 PolarHBondContact O-N 3.29Å; Q99-N103 PolarHBondContact O-OD1 3.14Å; G100-N103 PolarHBondContact O-N 3.2Å; T101-N103 VanDerWaalsContact C-N 3.3Å; T101-N103 PolarHBondContact O-N 2.98Å; N103-R106 WeakPolarHBondContact O-CB 3.17Å; N103-R106 PolarHBondContact O-N 3.32Å; N103-A107 WeakPolarHBondContact O-CB 3.35Å; N103-A107 PolarHBondContact O-N 3.14Å
104I86.6Confident71.8Confident7 Ų742.4 Ų42.44%0.03624%0.24CC..Hα-helixtrans-65.8-51172.5-74.2-77.3000111.1T14 I58 V64 V68 V74 H76 G100 T101 K102 R106 A107 C108T14-I104 HydrophobicContact CG2-CD1 3.45Å; T14-I104 VanDerWaalsContact CG2-CD1 3.45Å; T14-I104 HydrophobicContact CG2-CG1 4.17Å; I58-I104 HydrophobicContact CG2-CG1 4.41Å; V64-I104 HydrophobicContact CG1-CB 4.46Å; V64-I104 HydrophobicContact CG1-CD1 3.38Å; V64-I104 HydrophobicContact CG1-CG1 3.84Å; V68-I104 HydrophobicContact CG2-CD1 4.22Å; V74-I104 HydrophobicContact CG1-CD1 4.38Å; V74-I104 HydrophobicContact CG1-CG2 4.14Å; H76-I104 HydrophobicContact CB-CG2 4.32Å; G100-I104 PolarHBondContact O-N 3.32Å; T101-I104 PolarHBondContact O-N 3.23Å; K102-I104 VanDerWaalsContact C-N 3.32Å; I104-R106 PolarHBondContact O-N 2.9Å; I104-A107 PolarHBondContact O-N 3.22Å; I104-C108 PolarHBondContact O-N 3.27Å; I104-C108 PolarHBondContact O-SG 2.87Å
105L81Confident69.6Low15 Ų1546.6 Ų46.68%0.07925%0.254CS..Hα-helixtrans-61.3-33.8175-69.2171.5000112.2T101 K102 C108 V109 A123 V124 A127T101-L105 HydrophobicContact CG2-CD1 4.27Å; T101-L105 WeakPolarHBondContact O-CG 3.13Å; T101-L105 PolarHBondContact O-N 2.83Å; K102-L105 PolarHBondContact O-N 3.49Å; L105-C108 CarbonylContact O-C 3.15Å; L105-C108 PolarHBondContact O-N 3.23Å; L105-V109 WeakPolarHBondContact O-CA 3.32Å; L105-V109 VanDerWaalsContact O-CB 3.25Å; L105-V109 WeakPolarHBondContact O-CB 3.39Å; L105-V109 PolarHBondContact O-N 3.12Å; L105-A123 VanDerWaalsContact CD1-C 3.49Å; L105-A123 HydrophobicContact CD1-CB 3.5Å; L105-A123 VanDerWaalsContact CD1-CB 3.5Å; L105-V124 HydrophobicContact CD1-CG2 4.06Å; L105-V124 HydrophobicContact CD2-CB 4.39Å; L105-V124 HydrophobicContact CD2-CG2 3.98Å; L105-V124 HydrophobicContact CG-CG2 4.37Å; L105-A127 HydrophobicContact CD2-CB 4.12Å
106R79.9Confident68.1Low107 Ų10748.5 Ų48.540%0.40426%0.264SS..Hα-helixtrans-63.2-54.2173.2-177.2-178.6174.4-164.8-8.1109.6Y61 K102 N103 I104 C108 V109 E110Y61-R106 HydrophobicContact CD2-CB 4.24Å; Y61-R106 HydrophobicContact CD2-CG 4.04Å; Y61-R106 HydrophobicContact CE2-CB 3.79Å; Y61-R106 VanDerWaalsContact CE2-CD 3.4Å; Y61-R106 HydrophobicContact CE2-CG 3.41Å; Y61-R106 VanDerWaalsContact CE2-CG 3.41Å; K102-R106 WeakPolarHBondContact O-CA 3.36Å; K102-R106 WeakPolarHBondContact O-CB 3.5Å; K102-R106 PolarHBondContact O-N 3.42Å; N103-R106 WeakPolarHBondContact O-CB 3.17Å; N103-R106 PolarHBondContact O-N 3.32Å; I104-R106 PolarHBondContact O-N 2.9Å; R106-C108 PolarHBondContact O-N 3.46Å; R106-V109 CarbonylContact O-C 3.55Å; R106-V109 PolarHBondContact O-N 3.37Å; R106-E110 HydrophobicContact CG-CB 4.25Å; R106-E110 HydrophobicContact CG-CG 3.81Å; R106-E110 IonicContact CZ-OE1 3.77Å; R106-E110 IonicContact NE-OE1 2.7Å; R106-E110 PolarHBondContact NE-OE1 3.06Å; R106-E110 IonicContact NH2-OE1 3.94Å; R106-E110 PolarHBondContact NH2-OE1 3.18Å; R106-E110 WeakPolarHBondContact O-CA 3.2Å; R106-E110 WeakPolarHBondContact O-CG 3.5Å; R106-E110 PolarHBondContact O-N 3.42Å
107A76.8Confident66.7Low25 Ų2551.7 Ų51.721%0.20728%0.276CS..Hα-helixtrans-60.3-23.217800000113.2Y61 V64 V68 N103 I104Y61-A107 HydrophobicContact CE2-CB 4.09Å; V64-A107 HydrophobicContact CG1-CB 3.81Å; V68-A107 HydrophobicContact CB-CB 3.99Å; V68-A107 HydrophobicContact CG1-CB 4.22Å; V68-A107 HydrophobicContact CG2-CB 3.93Å; N103-A107 WeakPolarHBondContact O-CB 3.35Å; N103-A107 PolarHBondContact O-N 3.14Å; I104-A107 PolarHBondContact O-N 3.22Å
108C70.6Confident65.3Low28 Ų2855 Ų5519%0.18930%0.3CS..Hα-helixtrans-88.7-19.4172.1-600000115.5I104 L105 R106 L139I104-C108 PolarHBondContact O-N 3.27Å; I104-C108 PolarHBondContact O-SG 2.87Å; L105-C108 CarbonylContact O-C 3.15Å; L105-C108 PolarHBondContact O-N 3.23Å; R106-C108 PolarHBondContact O-N 3.46Å; C108-L139 HydrophobicContact CB-CD2 4.12Å
109V62.8Low64.4Low40 Ų4058.3 Ų58.324%0.24232%0.317CS..Hα-helixtrans-154-33.9-164.5-172.50000116.6L105 R106 A127 A130 L139L105-V109 WeakPolarHBondContact O-CA 3.32Å; L105-V109 VanDerWaalsContact O-CB 3.25Å; L105-V109 WeakPolarHBondContact O-CB 3.39Å; L105-V109 PolarHBondContact O-N 3.12Å; R106-V109 CarbonylContact O-C 3.55Å; R106-V109 PolarHBondContact O-N 3.37Å; V109-A127 HydrophobicContact CG2-CB 4.17Å; V109-A130 HydrophobicContact CG1-CB 3.44Å; V109-A130 VanDerWaalsContact CG1-CB 3.44Å; V109-A130 HydrophobicContact CG2-CB 4.42Å; V109-L139 HydrophobicContact CG2-CB 4.33Å; V109-L139 HydrophobicContact CG2-CD2 3.26Å; V109-L139 HydrophobicContact CG2-CG 4.37Å
110E59.3Low63.6Low90 Ų9055.1 Ų55.142%0.42130%0.304SS..SBendtrans65.747.7-175.7-63.4-141.710000120R106R106-E110 HydrophobicContact CG-CB 4.25Å; R106-E110 HydrophobicContact CG-CG 3.81Å; R106-E110 IonicContact CZ-OE1 3.77Å; R106-E110 IonicContact NE-OE1 2.7Å; R106-E110 PolarHBondContact NE-OE1 3.06Å; R106-E110 IonicContact NH2-OE1 3.94Å; R106-E110 PolarHBondContact NH2-OE1 3.18Å; R106-E110 WeakPolarHBondContact O-CA 3.2Å; R106-E110 WeakPolarHBondContact O-CG 3.5Å; R106-E110 PolarHBondContact O-N 3.42Å
111N31.3Very low63.1Low151 Ų15157 Ų5781%0.80731%0.313SS*.  trans-152.2160157.9-93.1-66.2000112.2
112G30.5Very low62.6Low55 Ų5560.7 Ų60.757%0.56733%0.331SS*.  trans-142.1-161.9-160.200000120.4
113V28.9Very low62.3Low112 Ų11259.7 Ų59.768%0.67933%0.329SS*.  trans123.7172.6179.4179.70000113K102K102-V113 WeakPolarHBondContact CE-O 3.3Å; K102-V113 WeakPolarHBondContact CG-O 3.35Å
114S29.2Very low62Low35 Ų3560.7 Ų60.725%0.24534%0.335CS..  -145.6160.9-120.2-150.20000117.8V98 K102 L119V98-S114 WeakPolarHBondContact CG1-OG 3.43Å; K102-S114 VanDerWaalsContact CE-CB 3.48Å; K102-S114 VanDerWaalsContact CE-OG 3.3Å; K102-S114 WeakPolarHBondContact CE-OG 3.44Å; K102-S114 PolarHBondContact NZ-OG 3.42Å; S114-L119 VanDerWaalsContact O-CB 3.28Å; S114-L119 WeakPolarHBondContact O-CB 3.37Å; S114-L119 VanDerWaalsContact O-CD1 3.23Å; S114-L119 WeakPolarHBondContact O-CD1 3.27Å
115R36.8Very low62Low131 Ų13162.2 Ų62.249%0.49434%0.344SS..SBendtrans96.955.3156.2-104.1-173.2177.8-174.7-2.6123.9E94 L119E94-R115 HydrophobicContact CG-CG 4.37Å; E94-R115 WeakPolarHBondContact OE1-CD 3.42Å; E94-R115 WeakPolarHBondContact OE1-CG 3.48Å; E94-R115 IonicContact OE1-CZ 3.3Å; E94-R115 IonicContact OE1-NE 2.67Å; E94-R115 PolarHBondContact OE1-NE 3.09Å; E94-R115 IonicContact OE1-NH2 3.12Å; E94-R115 IonicContact OE2-CZ 3.63Å; E94-R115 VanDerWaalsContact OE2-CZ 3.28Å; E94-R115 IonicContact OE2-NE 3.53Å; E94-R115 PolarHBondContact OE2-NE 3.36Å; E94-R115 IonicContact OE2-NH2 2.83Å; E94-R115 PolarHBondContact OE2-NH2 2.98Å; R115-L119 HydrophobicContact CB-CD1 4.27Å; R115-L119 WeakPolarHBondContact O-CD1 3.39Å
116T58.3Low62.2Low62 Ų6269 Ų6938%0.3838%0.375SS..SBend156.9-63.6116.746.90000113.1N97N97-T116 WeakPolarHBondContact CB-O 3.14Å
117K61.8Low62.4Low86 Ų8664.5 Ų64.537%0.37436%0.361SS..SBendtrans-141.9-46.7162.6-80.7-157.1169.9-162.80111.7S79 M82 N97 L119 A120 E121S79-K117 PolarHBondContact OG-NZ 2.81Å; M82-K117 HydrophobicContact SD-CD 4.34Å; M82-K117 PolarHBondContact SD-NZ 2.87Å; N97-K117 HydrophobicContact CB-CG 4.15Å; K117-L119 PolarHBondContact O-N 3.41Å; K117-A120 WeakPolarHBondContact O-CA 3.19Å; K117-A120 WeakPolarHBondContact O-CB 3.47Å; K117-A120 PolarHBondContact O-N 3.2Å; K117-E121 PolarHBondContact O-N 2.89Å
118S59.1Low63.1Low78 Ų7865.8 Ų65.855%0.54536%0.364SS..Hα-helixtrans-60.1-34.3175.3-41.80000112.8E121 M122S118-E121 WeakPolarHBondContact O-CB 3.33Å; S118-E121 PolarHBondContact O-N 3.43Å; S118-M122 WeakPolarHBondContact O-CE 3.49Å; S118-M122 WeakPolarHBondContact O-CG 3.34Å; S118-M122 PolarHBondContact O-N 3.24Å
119L65.1Low63.9Low71 Ų7166.4 Ų66.437%0.37238%0.375SS..Hα-helixtrans-79-24.1176-75.8152.7000113S114 R115 K117 M122 A123S114-L119 VanDerWaalsContact O-CB 3.28Å; S114-L119 WeakPolarHBondContact O-CB 3.37Å; S114-L119 VanDerWaalsContact O-CD1 3.23Å; S114-L119 WeakPolarHBondContact O-CD1 3.27Å; R115-L119 HydrophobicContact CB-CD1 4.27Å; R115-L119 WeakPolarHBondContact O-CD1 3.39Å; K117-L119 PolarHBondContact O-N 3.41Å; L119-M122 HydrophobicContact CD2-CE 3.61Å; L119-M122 HydrophobicContact CD2-SD 3.95Å; L119-M122 HydrophobicContact CG-CE 3.73Å; L119-A123 WeakPolarHBondContact O-CB 3.42Å; L119-A123 PolarHBondContact O-N 2.91Å
120A68.8Low65.1Low11 Ų1165.9 Ų65.99%0.09138%0.375CS..Hα-helixtrans-72-40.8168.700000110.4N97 T101 K117 A123 V124N97-A120 WeakPolarHBondContact O-CB 3.25Å; T101-A120 HydrophobicContact CG2-CB 3.82Å; K117-A120 WeakPolarHBondContact O-CA 3.19Å; K117-A120 WeakPolarHBondContact O-CB 3.47Å; K117-A120 PolarHBondContact O-N 3.2Å; A120-A123 PolarHBondContact O-N 3.13Å; A120-V124 WeakPolarHBondContact O-CG2 3.37Å; A120-V124 PolarHBondContact O-N 3.27Å
121E78.8Confident66.3Low40 Ų4065.3 Ų65.319%0.18739%0.386CS..Hα-helixtrans-61.5-46.9171.4-162.5-161.1100.100111.9K117 S118 A123 V124 L125 A143 R145K117-E121 PolarHBondContact O-N 2.89Å; S118-E121 WeakPolarHBondContact O-CB 3.33Å; S118-E121 PolarHBondContact O-N 3.43Å; E121-A123 VanDerWaalsContact C-N 3.29Å; E121-A123 PolarHBondContact O-N 2.64Å; E121-V124 WeakPolarHBondContact O-CB 3.25Å; E121-V124 PolarHBondContact O-N 3.38Å; E121-V124 VanDerWaalsContact O-N 3.14Å; E121-L125 HydrophobicContact CG-CD1 4.34Å; E121-L125 WeakPolarHBondContact O-CG 3.37Å; E121-L125 PolarHBondContact O-N 3.26Å; E121-A143 HydrophobicContact CG-CB 3.46Å; E121-A143 VanDerWaalsContact CG-CB 3.46Å; E121-R145 IonicContact OE1-CZ 3.03Å; E121-R145 VanDerWaalsContact OE1-CZ 3.3Å; E121-R145 IonicContact OE1-NE 2.74Å; E121-R145 PolarHBondContact OE1-NE 3.18Å; E121-R145 VanDerWaalsContact OE1-NE 3.15Å; E121-R145 IonicContact OE1-NH2 3.28Å; E121-R145 PolarHBondContact OE1-NH2 3.2Å; E121-R145 WeakPolarHBondContact OE2-CG 3.31Å; E121-R145 IonicContact OE2-CZ 3.87Å; E121-R145 IonicContact OE2-NE 2.71Å; E121-R145 PolarHBondContact OE2-NE 3.08Å; E121-R145 IonicContact OE2-NH2 2.97Å
122M77.1Confident68.5Low85 Ų8561 Ų6142%0.41936%0.362SS..Hα-helixtrans-57.4-42.6173.7-77.3179.7-107.100111.7S118 L119 L125 Q126S118-M122 WeakPolarHBondContact O-CE 3.49Å; S118-M122 WeakPolarHBondContact O-CG 3.34Å; S118-M122 PolarHBondContact O-N 3.24Å; L119-M122 HydrophobicContact CD2-CE 3.61Å; L119-M122 HydrophobicContact CD2-SD 3.95Å; L119-M122 HydrophobicContact CG-CE 3.73Å; M122-L125 PolarHBondContact O-N 2.88Å; M122-Q126 VanDerWaalsContact O-CB 3.26Å; M122-Q126 WeakPolarHBondContact O-CB 3.19Å; M122-Q126 WeakPolarHBondContact O-CG 3.32Å; M122-Q126 PolarHBondContact O-N 3.03Å
123A77.3Confident70.5Confident16 Ų1668.3 Ų68.313%0.13238%0.379CS..Hα-helixtrans-64.5-38.8176.100000112.4L105 L119 A120 E121 A127L105-A123 VanDerWaalsContact CD1-C 3.49Å; L105-A123 HydrophobicContact CD1-CB 3.5Å; L105-A123 VanDerWaalsContact CD1-CB 3.5Å; L119-A123 WeakPolarHBondContact O-CB 3.42Å; L119-A123 PolarHBondContact O-N 2.91Å; A120-A123 PolarHBondContact O-N 3.13Å; E121-A123 VanDerWaalsContact C-N 3.29Å; E121-A123 PolarHBondContact O-N 2.64Å; A123-A127 VanDerWaalsContact O-CB 3.31Å; A123-A127 WeakPolarHBondContact O-CB 3.27Å; A123-A127 PolarHBondContact O-N 3.37Å
124V81.9Confident72.5Confident29 Ų2966.8 Ų66.818%0.17639%0.386CS..Hα-helixtrans-58.2-52171.8171.80000109.9T101 L105 A120 E121 Q126 A127 T141T101-V124 HydrophobicContact CG2-CG2 4.41Å; L105-V124 HydrophobicContact CD1-CG2 4.06Å; L105-V124 HydrophobicContact CD2-CB 4.39Å; L105-V124 HydrophobicContact CD2-CG2 3.98Å; L105-V124 HydrophobicContact CG-CG2 4.37Å; A120-V124 WeakPolarHBondContact O-CG2 3.37Å; A120-V124 PolarHBondContact O-N 3.27Å; E121-V124 WeakPolarHBondContact O-CB 3.25Å; E121-V124 PolarHBondContact O-N 3.38Å; E121-V124 VanDerWaalsContact O-N 3.14Å; V124-Q126 PolarHBondContact O-N 2.74Å; V124-A127 WeakPolarHBondContact O-CB 3.37Å; V124-A127 PolarHBondContact O-N 2.9Å; V124-T141 HydrophobicContact CG1-CG2 4.22Å; V124-T141 PolarHBondContact O-OG1 2.84Å
125L86.6Confident74.5Confident40 Ų4068.4 Ų68.421%0.20940%0.397CS..Hα-helixtrans-69-33.2-176.7-60.3173.2000113E121 M122 A127 N128 A143 A212E121-L125 HydrophobicContact CG-CD1 4.34Å; E121-L125 WeakPolarHBondContact O-CG 3.37Å; E121-L125 PolarHBondContact O-N 3.26Å; M122-L125 PolarHBondContact O-N 2.88Å; L125-A127 VanDerWaalsContact C-N 3.33Å; L125-N128 VanDerWaalsContact O-CB 3.24Å; L125-N128 WeakPolarHBondContact O-CB 3.3Å; L125-N128 PolarHBondContact O-N 2.87Å; L125-A143 HydrophobicContact CD2-CB 4.04Å; L125-A143 HydrophobicContact CG-CB 4.44Å; L125-A212 HydrophobicContact CD1-CB 4.15Å
126Q85.8Confident76.3Confident158 Ų15868.7 Ų68.774%0.73842%0.416SS*.Hα-helixtrans-69.6-28.6173.9-77172-20.200112.8M122 V124 N128M122-Q126 VanDerWaalsContact O-CB 3.26Å; M122-Q126 WeakPolarHBondContact O-CB 3.19Å; M122-Q126 WeakPolarHBondContact O-CG 3.32Å; M122-Q126 PolarHBondContact O-N 3.03Å; V124-Q126 PolarHBondContact O-N 2.74Å; Q126-N128 PolarHBondContact O-N 3.27Å
127A84.6Confident77.4Confident12 Ų1267.2 Ų67.210%0.09941%0.413CS..THydrogen-bonded Turntrans-74-11.2175.200000113.3L105 V109 A123 V124 L125 G129 A130 L139L105-A127 HydrophobicContact CD2-CB 4.12Å; V109-A127 HydrophobicContact CG2-CB 4.17Å; A123-A127 VanDerWaalsContact O-CB 3.31Å; A123-A127 WeakPolarHBondContact O-CB 3.27Å; A123-A127 PolarHBondContact O-N 3.37Å; V124-A127 WeakPolarHBondContact O-CB 3.37Å; V124-A127 PolarHBondContact O-N 2.9Å; L125-A127 VanDerWaalsContact C-N 3.33Å; A127-G129 PolarHBondContact O-N 3.05Å; A127-A130 VanDerWaalsContact O-CB 3.29Å; A127-A130 WeakPolarHBondContact O-CB 3.25Å; A127-A130 PolarHBondContact O-N 3.07Å; A127-L139 HydrophobicContact CB-CD2 4.17Å
128N90.2Very high78.8Confident51 Ų5165.9 Ų65.927%0.27341%0.412SS..THydrogen-bonded Turntrans-64.3124.9176-170.480.1000111.7L125 Q126 R140 T141 A209 G210L125-N128 VanDerWaalsContact O-CB 3.24Å; L125-N128 WeakPolarHBondContact O-CB 3.3Å; L125-N128 PolarHBondContact O-N 2.87Å; Q126-N128 PolarHBondContact O-N 3.27Å; N128-R140 WeakPolarHBondContact OD1-CA 3.4Å; N128-T141 WeakPolarHBondContact CB-OG1 3.44Å; N128-T141 PolarHBondContact OD1-N 3.46Å; N128-T141 PolarHBondContact OD1-O 3.2Å; N128-A209 WeakPolarHBondContact OD1-CB 3.33Å; N128-G210 PolarHBondContact OD1-N 3.4Å
129G88.3Confident80.1Confident42 Ų4263.7 Ų63.743%0.43339%0.394SS..THydrogen-bonded Turntrans89.3-2.1-177.200000114.3A127 V138 L139A127-G129 PolarHBondContact O-N 3.05Å; G129-V138 WeakPolarHBondContact O-CG1 3.46Å; G129-L139 PolarHBondContact N-O 2.87Å
130A86.6Confident81.3Confident29 Ų2964.8 Ų64.824%0.2439%0.394CS..PPolyproline II helixtrans-65.6138.8174.100000111.1V109 A127 V138 L139V109-A130 HydrophobicContact CG1-CB 3.44Å; V109-A130 VanDerWaalsContact CG1-CB 3.44Å; V109-A130 HydrophobicContact CG2-CB 4.42Å; A127-A130 VanDerWaalsContact O-CB 3.29Å; A127-A130 WeakPolarHBondContact O-CB 3.25Å; A127-A130 PolarHBondContact O-N 3.07Å; A130-V138 CarbonylContact O-C 3.59Å; A130-V138 WeakPolarHBondContact O-CA 3.28Å; A130-L139 PolarHBondContact O-N 3.22Å
131A84.9Confident82.3Confident77 Ų7764.9 Ų64.964%0.63639%0.393SS*.BIsolated β-bridgetrans-66.1138.9179.100000111.4
132L78.8Confident83Confident61 Ų6164.3 Ų64.332%0.31939%0.393SS..PPolyproline II helixtrans-77.7134.8176.6-62.4176.9000110.5G134 G137 L139L132-G134 PolarHBondContact O-N 3.19Å; L132-G137 PolarHBondContact N-O 2.94Å; L132-L139 HydrophobicContact CD2-CB 3.92Å
133F72.4Confident83.7Confident208 Ų20860.8 Ų60.891%0.91238%0.377SS*.THydrogen-bonded Turntrans-67.1128177.1-173.9-96.1000110.6S135F133-S135 VanDerWaalsContact C-N 3.25Å; F133-S135 PolarHBondContact O-N 3.17Å
134G70.1Confident84.4Confident81 Ų8161.6 Ų61.684%0.83538%0.379SS*.THydrogen-bonded Turntrans70.88.1176.800000116.3L132L132-G134 PolarHBondContact O-N 3.19Å
135S71.1Confident84.8Confident68 Ų6864.2 Ų64.248%0.47639%0.386SS..SBendtrans-141.1139.1-178.6-177.10000112.3F133 G137F133-S135 VanDerWaalsContact C-N 3.25Å; F133-S135 PolarHBondContact O-N 3.17Å; S135-G137 PolarHBondContact O-N 3.15Å
136P74.6Confident85Confident138 Ų13865 Ų6590%0.89639%0.393SS*.SBendtrans-71.589.3174.330.5-34.3000110.7
137G82.5Confident85.2Confident31 Ų3158.7 Ų58.732%0.3237%0.368SS..  trans-175175.5178.800000113.4L132 S135L132-G137 PolarHBondContact N-O 2.94Å; S135-G137 PolarHBondContact O-N 3.15Å
138V89.4Confident85.4Confident57 Ų5759.6 Ų59.635%0.34538%0.379SS..BIsolated β-bridgetrans-126.1141.6173.7-61.90000110.6G129 A130 R140G129-V138 WeakPolarHBondContact O-CG1 3.46Å; A130-V138 CarbonylContact O-C 3.59Å; A130-V138 WeakPolarHBondContact O-CA 3.28Å; V138-R140 PolarHBondContact O-NH1 3.46Å
139L86.9Confident85.5Confident33 Ų3359.8 Ų59.817%0.17338%0.379CS..  trans-62.8136170.3-176.666.8000109.4C108 V109 A127 G129 A130 L132 T141C108-L139 HydrophobicContact CB-CD2 4.12Å; V109-L139 HydrophobicContact CG2-CB 4.33Å; V109-L139 HydrophobicContact CG2-CD2 3.26Å; V109-L139 HydrophobicContact CG2-CG 4.37Å; A127-L139 HydrophobicContact CB-CD2 4.17Å; G129-L139 PolarHBondContact N-O 2.87Å; A130-L139 PolarHBondContact O-N 3.22Å; L132-L139 HydrophobicContact CD2-CB 3.92Å; L139-T141 HydrophobicContact CD1-CG2 4.49Å; L139-T141 HydrophobicContact CD2-CG2 3.59Å; L139-T141 HydrophobicContact CG-CG2 3.74Å
140R89.9Confident85.9Confident94 Ų9457.9 Ų57.936%0.35536%0.359SS..  trans-119.3132.8172-65.7171.2178.182.1-17.2108.4N128 V138 L200 H206 A209N128-R140 WeakPolarHBondContact OD1-CA 3.4Å; V138-R140 PolarHBondContact O-NH1 3.46Å; R140-L200 HydrophobicContact CB-CD2 4.1Å; R140-H206 WeakPolarHBondContact CD-ND1 3.4Å; R140-H206 VanDerWaalsContact CZ-CE1 3.41Å; R140-H206 PolarHBondContact NE-CD2 3.4Å; R140-H206 PolarHBondContact NE-CE1 2.98Å; R140-H206 PolarHBondContact NE-ND1 2.91Å; R140-H206 PolarHBondContact NE-NE2 3.43Å; R140-H206 PolarHBondContact NH2-CE1 2.66Å; R140-H206 VanDerWaalsContact NH2-CE1 3.3Å; R140-H206 PolarHBondContact NH2-NE2 3.15Å; R140-A209 HydrophobicContact CB-CB 4.33Å; R140-A209 HydrophobicContact CG-CB 4.44Å
141T91.3Very high86.3Confident13 Ų1356.5 Ų56.58%0.0835%0.348CS..  trans-136.2149.5-174.567.40000110.7V124 N128 L139 A209 G210V124-T141 HydrophobicContact CG1-CG2 4.22Å; V124-T141 PolarHBondContact O-OG1 2.84Å; N128-T141 WeakPolarHBondContact CB-OG1 3.44Å; N128-T141 PolarHBondContact OD1-N 3.46Å; N128-T141 PolarHBondContact OD1-O 3.2Å; L139-T141 HydrophobicContact CD1-CG2 4.49Å; L139-T141 HydrophobicContact CD2-CG2 3.59Å; L139-T141 HydrophobicContact CG-CG2 3.74Å; T141-A209 CarbonylContact O-C 3.09Å; T141-G210 PolarHBondContact O-N 2.96Å
142C93.1Very high86.7Confident28 Ų2853.6 Ų53.619%0.18932%0.322CS..  trans-135.4164.8164.966.30000109.8L200 S208 Q211C142-L200 HydrophobicContact CB-CD2 4.17Å; C142-S208 WeakPolarHBondContact CB-O 3.23Å; C142-Q211 CarbonylContact C-O 3.5Å; C142-Q211 VanDerWaalsContact CA-O 3.31Å; C142-Q211 WeakPolarHBondContact CA-O 3.31Å; C142-Q211 WeakPolarHBondContact CB-O 3.39Å
143A92.1Very high87.1Confident11 Ų1151.5 Ų51.59%0.09132%0.315CS..EExtended strand (participates in β ladder)trans-122.6132175.100000111.8E121 L125 Q211 A212 Y213E121-A143 HydrophobicContact CG-CB 3.46Å; E121-A143 VanDerWaalsContact CG-CB 3.46Å; L125-A143 HydrophobicContact CD2-CB 4.04Å; L125-A143 HydrophobicContact CG-CB 4.44Å; A143-Q211 PolarHBondContact N-O 3.44Å; A143-A212 HydrophobicContact CB-CB 4.1Å; A143-A212 CarbonylContact O-C 3.47Å; A143-A212 VanDerWaalsContact O-CA 3.27Å; A143-A212 WeakPolarHBondContact O-CA 3.38Å; A143-Y213 PolarHBondContact O-N 3.12Å
144L92.3Very high88Confident33 Ų3342.2 Ų42.217%0.17328%0.275CS..EExtended strand (participates in β ladder)trans-106.2130.9170.8-60-173.8000110.1P146 A192 H193 A196 Y213 I215 L295L144-P146 VanDerWaalsContact C-CD 3.49Å; L144-P146 WeakPolarHBondContact O-CD 3.16Å; L144-A192 HydrophobicContact CD1-CB 4.4Å; L144-H193 HydrophobicContact CD1-CB 4.26Å; L144-H193 WeakPolarHBondContact CD1-ND1 3.38Å; L144-A196 HydrophobicContact CD1-CB 3.91Å; L144-A196 HydrophobicContact CD2-CB 3.98Å; L144-A196 HydrophobicContact CG-CB 4.23Å; L144-Y213 HydrophobicContact CD2-CD2 3.89Å; L144-Y213 HydrophobicContact CD2-CG 4.26Å; L144-I215 HydrophobicContact CB-CG1 4.25Å; L144-I215 HydrophobicContact CD2-CD1 4.09Å; L144-I215 HydrophobicContact CD2-CG1 4Å; L144-I215 HydrophobicContact CG-CG1 4.49Å; L144-L295 HydrophobicContact CD2-CD1 4.39Å
145R90.3Very high88.5Confident84 Ų8443.1 Ų43.132%0.31726%0.257SS..EExtended strand (participates in β ladder)trans-109.883.1178.8-61.3176.9-178.31560.2108.4E121 Y213 F214 I215E121-R145 IonicContact OE1-CZ 3.03Å; E121-R145 VanDerWaalsContact OE1-CZ 3.3Å; E121-R145 IonicContact OE1-NE 2.74Å; E121-R145 PolarHBondContact OE1-NE 3.18Å; E121-R145 VanDerWaalsContact OE1-NE 3.15Å; E121-R145 IonicContact OE1-NH2 3.28Å; E121-R145 PolarHBondContact OE1-NH2 3.2Å; E121-R145 WeakPolarHBondContact OE2-CG 3.31Å; E121-R145 IonicContact OE2-CZ 3.87Å; E121-R145 IonicContact OE2-NE 2.71Å; E121-R145 PolarHBondContact OE2-NE 3.08Å; E121-R145 IonicContact OE2-NH2 2.97Å; R145-Y213 WeakPolarHBondContact CB-O 3.24Å; R145-Y213 PolarHBondContact N-O 2.93Å; R145-F214 HydrophobicContact CB-CD1 3.64Å; R145-F214 HydrophobicContact CB-CE1 4Å; R145-F214 HydrophobicContact CB-CG 4.36Å; R145-F214 VanDerWaalsContact CD-CE1 3.4Å; R145-F214 HydrophobicContact CG-CD1 4.4Å; R145-F214 HydrophobicContact CG-CE1 4.38Å; R145-F214 VanDerWaalsContact NH1-CE2 3.31Å; R145-I215 PolarHBondContact O-N 3.1Å
146P90.7Very high88.8Confident56 Ų5645.4 Ų45.436%0.36426%0.255SS..EExtended strand (participates in β ladder)trans-65.8144.7178.425.8-33.7000111.8L144 I149 V184 L189 I215L144-P146 VanDerWaalsContact C-CD 3.49Å; L144-P146 WeakPolarHBondContact O-CD 3.16Å; P146-I149 HydrophobicContact CB-CD1 4.44Å; P146-I149 HydrophobicContact CB-CG1 4.27Å; P146-I149 HydrophobicContact CG-CD1 4.47Å; P146-V184 HydrophobicContact CB-CG1 4.1Å; P146-L189 HydrophobicContact CB-CD1 3.78Å; P146-L189 HydrophobicContact CB-CD2 3.77Å; P146-L189 HydrophobicContact CB-CG 4.44Å; P146-L189 HydrophobicContact CG-CD2 4.34Å; P146-I215 WeakPolarHBondContact CA-O 3.38Å
147A90.2Very high89.2Confident25 Ų2542 Ų4221%0.20723%0.228CC..  trans-70-167.5162.800000111.5I149 E182 V184 I215A147-I149 PolarHBondContact O-N 3.34Å; A147-I149 VanDerWaalsContact O-N 3.07Å; A147-E182 HydrophobicContact CB-CB 3.8Å; A147-E182 WeakPolarHBondContact CB-O 3.33Å; A147-V184 HydrophobicContact CB-CB 4.4Å; A147-I215 PolarHBondContact N-O 3.02Å
148G87.8Confident89.7Confident31 Ų3140.8 Ų40.832%0.3221%0.214SC..EExtended strand (participates in β ladder)trans-60.8111.7177.300000112.2E182 F183 V184G148-E182 PolarHBondContact N-O 3.04Å; G148-E182 VanDerWaalsContact N-O 3.07Å; G148-F183 CarbonylContact O-C 3.54Å; G148-F183 WeakPolarHBondContact O-CA 3.45Å; G148-F183 WeakPolarHBondContact O-CB 3.4Å; G148-F183 WeakPolarHBondContact O-CD1 3.36Å; G148-V184 PolarHBondContact O-N 3.38Å
149I93Very high89.7Confident56 Ų5640.1 Ų40.129%0.28721%0.21SC..EExtended strand (participates in β ladder)trans-75.4128.7-177-46.3175.2000109.9Y19 P146 A147 V184 V186 L189Y19-I149 HydrophobicContact CE1-CG2 4.06Å; P146-I149 HydrophobicContact CB-CD1 4.44Å; P146-I149 HydrophobicContact CB-CG1 4.27Å; P146-I149 HydrophobicContact CG-CD1 4.47Å; A147-I149 PolarHBondContact O-N 3.34Å; A147-I149 VanDerWaalsContact O-N 3.07Å; I149-V184 WeakPolarHBondContact CA-O 3.47Å; I149-V184 HydrophobicContact CB-CG1 4.45Å; I149-V184 HydrophobicContact CG1-CG1 4.03Å; I149-V186 HydrophobicContact CG2-CB 4.15Å; I149-V186 HydrophobicContact CG2-CG2 4.2Å; I149-L189 HydrophobicContact CD1-CD2 3.52Å; I149-L189 HydrophobicContact CG1-CD2 3.83Å; I149-L189 HydrophobicContact CG2-CD2 4.34Å
150Y95.9Very high89.8Confident1 Ų140.5 Ų40.50%0.00421%0.21CC..EExtended strand (participates in β ladder)trans-134.2166.917375.9-79.6000111.8F183 V184 H185 V186 D217 R219 F226 H302 L304 V307Y150-F183 HydrophobicContact CD1-CB 3.78Å; Y150-F183 HydrophobicContact CE1-CB 3.92Å; Y150-V184 VanDerWaalsContact CD1-C 3.49Å; Y150-V184 WeakPolarHBondContact CD1-O 3.32Å; Y150-V184 PolarHBondContact N-O 2.93Å; Y150-V184 VanDerWaalsContact N-O 3.09Å; Y150-H185 AromaticContact CD2-CD2 3.9Å; Y150-H185 HydrophobicContact CE1-CB 3.94Å; Y150-H185 VanDerWaalsContact CE1-N 3.25Å; Y150-H185 HydrophobicContact CE2-CB 4.26Å; Y150-H185 AromaticContact CE2-CD2 3.68Å; Y150-H185 PolarHBondContact O-CD2 3.3Å; Y150-V186 WeakPolarHBondContact O-CB 3.5Å; Y150-V186 PolarHBondContact O-N 2.88Å; Y150-D217 VanDerWaalsContact CE1-OD2 3.28Å; Y150-D217 WeakPolarHBondContact CE1-OD2 3.45Å; Y150-D217 PolarHBondContact OH-OD2 2.85Å; Y150-R219 PolarHBondContact OH-NH2 3.19Å; Y150-F226 HydrophobicContact CD1-CE1 4.49Å; Y150-F226 HydrophobicContact CD1-CE2 4.49Å; Y150-F226 AromaticContact CD1-CZ 3.67Å; Y150-F226 HydrophobicContact CD1-CZ 3.67Å; Y150-F226 AromaticContact CD2-CZ 3.98Å; Y150-F226 HydrophobicContact CD2-CZ 3.98Å; Y150-F226 HydrophobicContact CE1-CE2 4.28Å; Y150-F226 AromaticContact CE1-CZ 3.88Å; Y150-F226 HydrophobicContact CE1-CZ 3.88Å; Y150-F226 HydrophobicContact CE2-CZ 4.19Å; Y150-F226 HydrophobicContact CG-CE1 4.32Å; Y150-F226 AromaticContact CG-CZ 3.7Å; Y150-F226 HydrophobicContact CG-CZ 3.7Å; Y150-H302 WeakPolarHBondContact OH-CB 3.38Å; Y150-H302 PolarHBondContact OH-O 2.97Å; Y150-L304 HydrophobicContact CD2-CD2 3.62Å; Y150-L304 HydrophobicContact CE2-CD2 4.18Å; Y150-L304 HydrophobicContact CG-CD2 4.36Å; Y150-V307 HydrophobicContact CD2-CG2 4.49Å
151G95.8Very high89.9Confident0 Ų037.4 Ų37.40%020%0.2CC..SBendtrans145.5173.9174.700000112Y19 G153 E154 H185Y19-G151 WeakPolarHBondContact OH-CA 3.01Å; Y19-G151 PolarHBondContact OH-N 3.19Å; Y19-G151 PolarHBondContact OH-O 3.02Å; G151-G153 PolarHBondContact O-N 3.47Å; G151-E154 PolarHBondContact O-N 3.35Å; G151-H185 WeakPolarHBondContact CA-NE2 3.34Å
152P93.7Very high90Very high16 Ų1636.8 Ų36.810%0.10420%0.196CC..THydrogen-bonded Turntrans-61.1130.6178.1-24.234.9000111.4Y19 R23 E306 W310Y19-P152 WeakPolarHBondContact CE2-O 3.32Å; R23-P152 PolarHBondContact NH2-O 3.37Å; P152-E306 WeakPolarHBondContact CD-OE2 3.29Å; P152-E306 HydrophobicContact CG-CB 3.89Å; P152-E306 HydrophobicContact CG-CG 3.73Å; P152-E306 WeakPolarHBondContact CG-OE2 3.45Å; P152-W310 HydrophobicContact CB-CB 3.95Å; P152-W310 HydrophobicContact CB-CG 3.87Å
153G87.2Confident89.9Confident17 Ų1737.1 Ų37.118%0.17520%0.199CC..THydrogen-bonded Turntrans92.83.1178.500000116.3Y19 G151 Q155 W310Y19-G153 WeakPolarHBondContact CD2-O 3.43Å; Y19-G153 WeakPolarHBondContact CE2-O 3.45Å; G151-G153 PolarHBondContact O-N 3.47Å; G153-Q155 VanDerWaalsContact O-CG 3.3Å; G153-Q155 WeakPolarHBondContact O-CG 3.38Å; G153-Q155 PolarHBondContact O-N 2.92Å; G153-W310 VanDerWaalsContact CA-CZ2 3.45Å
154E91.4Very high89.8Confident13 Ų1338.3 Ų38.36%0.06120%0.201CC..  trans-59.2132.2173.8-162.4-70.6138.200110.3Y19 G151 R156 H157 L158 P159Y19-E154 HydrophobicContact CD1-CB 4.05Å; Y19-E154 HydrophobicContact CD1-CG 3.79Å; Y19-E154 HydrophobicContact CE1-CB 3.65Å; Y19-E154 HydrophobicContact CE1-CG 3.63Å; Y19-E154 HydrophobicContact CE2-CB 4.25Å; Y19-E154 HydrophobicContact CG-CB 4.48Å; G151-E154 PolarHBondContact O-N 3.35Å; E154-R156 VanDerWaalsContact CD-N 3.33Å; E154-R156 PolarHBondContact OE1-N 3.4Å; E154-R156 PolarHBondContact OE2-N 3.18Å; E154-H157 VanDerWaalsContact CD-N 3.26Å; E154-H157 IonicContact OE1-CD2 3.54Å; E154-H157 PolarHBondContact OE1-N 2.91Å; E154-H157 WeakPolarHBondContact OE2-CA 3.39Å; E154-H157 PolarHBondContact OE2-N 3.05Å; E154-L158 HydrophobicContact CB-CB 4.45Å; E154-L158 HydrophobicContact CB-CD1 3.71Å; E154-L158 HydrophobicContact CB-CG 3.94Å; E154-L158 HydrophobicContact CG-CD1 4.36Å; E154-L158 HydrophobicContact CG-CG 4.18Å; E154-L158 PolarHBondContact OE2-N 3.4Å; E154-P159 VanDerWaalsContact O-CD 3.31Å; E154-P159 WeakPolarHBondContact O-CD 3.32Å; E154-P159 VanDerWaalsContact O-CG 3.23Å; E154-P159 WeakPolarHBondContact O-CG 3.22Å; E154-P159 VanDerWaalsContact OE2-CD 3.31Å; E154-P159 WeakPolarHBondContact OE2-CD 3.32Å
155Q79.6Confident89.8Confident100 Ų10037.1 Ų37.147%0.46720%0.195SC..  trans-103-11.8-161.6-63.3176.6-1200114.9G153G153-Q155 VanDerWaalsContact O-CG 3.3Å; G153-Q155 WeakPolarHBondContact O-CG 3.38Å; G153-Q155 PolarHBondContact O-N 2.92Å
156R77.6Confident89.9Confident116 Ų11636.1 Ų36.144%0.43819%0.194SC..SBendtrans-127.1-51.3-169.4-64.8-174.9176.41661114S83 E154S83-R156 WeakPolarHBondContact OG-CB 3.31Å; E154-R156 VanDerWaalsContact CD-N 3.33Å; E154-R156 PolarHBondContact OE1-N 3.4Å; E154-R156 PolarHBondContact OE2-N 3.18Å
157H83.5Confident89.8Confident68 Ų6841.9 Ų41.932%0.31521%0.208SC..Hα-helixtrans-79.8-56.8-174.4-68.3-100.4000112.3S83 E154 R160 I161S83-H157 WeakPolarHBondContact CB-CE1 3.39Å; S83-H157 VanDerWaalsContact CB-NE2 3.34Å; S83-H157 WeakPolarHBondContact CB-NE2 3.46Å; S83-H157 PolarHBondContact OG-CD2 3.21Å; S83-H157 PolarHBondContact OG-CE1 3.03Å; S83-H157 PolarHBondContact OG-NE2 3.04Å; E154-H157 VanDerWaalsContact CD-N 3.26Å; E154-H157 IonicContact OE1-CD2 3.54Å; E154-H157 PolarHBondContact OE1-N 2.91Å; E154-H157 WeakPolarHBondContact OE2-CA 3.39Å; E154-H157 PolarHBondContact OE2-N 3.05Å; H157-R160 PolarHBondContact O-N 2.67Å; H157-I161 WeakPolarHBondContact O-CG1 3.38Å; H157-I161 PolarHBondContact O-N 3.21Å; H157-I161 VanDerWaalsContact O-N 3.09Å
158L91.9Very high89.5Confident4 Ų442.4 Ų42.42%0.02122%0.217CC..Hα-helixtrans-66.5-44.4-175.2-51.7-175.9000112.2E154 R160 I161 V162 F227 V307 F311E154-L158 HydrophobicContact CB-CB 4.45Å; E154-L158 HydrophobicContact CB-CD1 3.71Å; E154-L158 HydrophobicContact CB-CG 3.94Å; E154-L158 HydrophobicContact CG-CD1 4.36Å; E154-L158 HydrophobicContact CG-CG 4.18Å; E154-L158 PolarHBondContact OE2-N 3.4Å; L158-R160 VanDerWaalsContact C-N 3.25Å; L158-R160 PolarHBondContact O-N 3.08Å; L158-I161 HydrophobicContact CD2-CD1 4.47Å; L158-I161 PolarHBondContact O-N 3.19Å; L158-I161 VanDerWaalsContact O-N 3.13Å; L158-V162 WeakPolarHBondContact O-CG2 3.32Å; L158-V162 PolarHBondContact O-N 3.19Å; L158-F227 HydrophobicContact CD2-CD1 4.41Å; L158-F227 HydrophobicContact CD2-CE1 3.54Å; L158-F227 HydrophobicContact CD2-CZ 4.27Å; L158-V307 HydrophobicContact CD1-CG1 3.74Å; L158-F311 HydrophobicContact CB-CE2 3.79Å; L158-F311 HydrophobicContact CB-CZ 3.75Å
159P90.2Very high89.5Confident43 Ų4344.2 Ų44.228%0.27922%0.218SC..Hα-helixtrans-60.8-33.9177.5-2536.2000113E154 S163 F311E154-P159 VanDerWaalsContact O-CD 3.31Å; E154-P159 WeakPolarHBondContact O-CD 3.32Å; E154-P159 VanDerWaalsContact O-CG 3.23Å; E154-P159 WeakPolarHBondContact O-CG 3.22Å; E154-P159 VanDerWaalsContact OE2-CD 3.31Å; E154-P159 WeakPolarHBondContact OE2-CD 3.32Å; P159-S163 WeakPolarHBondContact O-CB 3.48Å; P159-S163 PolarHBondContact O-N 3.3Å; P159-F311 HydrophobicContact CB-CE1 4.41Å; P159-F311 HydrophobicContact CG-CE1 4.33Å; P159-F311 HydrophobicContact CG-CZ 4.12Å
160R89.2Confident89.1Confident41 Ų4143.7 Ų43.716%0.15521%0.214CC..Hα-helixtrans-70.5-42.3175-174.7176.960.3146.1-9.4111.9H157 L158 S163 Y164 E276H157-R160 PolarHBondContact O-N 2.67Å; L158-R160 VanDerWaalsContact C-N 3.25Å; L158-R160 PolarHBondContact O-N 3.08Å; R160-S163 PolarHBondContact O-N 3.27Å; R160-Y164 WeakPolarHBondContact CD-OH 3.29Å; R160-Y164 HydrophobicContact CG-CD2 4.48Å; R160-Y164 HydrophobicContact CG-CE1 3.94Å; R160-Y164 HydrophobicContact CG-CE2 3.89Å; R160-Y164 PolarHBondContact O-N 2.78Å; R160-E276 IonicContact CZ-OE1 3.51Å; R160-E276 VanDerWaalsContact CZ-OE1 3.3Å; R160-E276 IonicContact CZ-OE2 3.24Å; R160-E276 VanDerWaalsContact NH1-CD 3.35Å; R160-E276 IonicContact NH1-OE1 3.96Å; R160-E276 PolarHBondContact NH1-OE1 3.1Å; R160-E276 VanDerWaalsContact NH1-OE1 3.12Å; R160-E276 IonicContact NH1-OE2 3.01Å; R160-E276 PolarHBondContact NH1-OE2 3.15Å; R160-E276 VanDerWaalsContact NH2-CD 3.31Å; R160-E276 IonicContact NH2-OE1 3.91Å; R160-E276 PolarHBondContact NH2-OE1 3.01Å; R160-E276 IonicContact NH2-OE2 3.4Å
161I90.7Very high88.7Confident30 Ų3052.3 Ų52.315%0.15425%0.246CC..Hα-helixtrans-60.1-48.7174.3-69.3166.6000110.1H157 L158 S163 Y164 I165 F227 L230H157-I161 WeakPolarHBondContact O-CG1 3.38Å; H157-I161 PolarHBondContact O-N 3.21Å; H157-I161 VanDerWaalsContact O-N 3.09Å; L158-I161 HydrophobicContact CD2-CD1 4.47Å; L158-I161 PolarHBondContact O-N 3.19Å; L158-I161 VanDerWaalsContact O-N 3.13Å; I161-S163 VanDerWaalsContact C-N 3.33Å; I161-S163 PolarHBondContact O-N 2.95Å; I161-Y164 PolarHBondContact O-N 3.37Å; I161-Y164 VanDerWaalsContact O-N 3.1Å; I161-I165 HydrophobicContact CG2-CD1 3.8Å; I161-I165 WeakPolarHBondContact O-CG1 3.46Å; I161-I165 PolarHBondContact O-N 3.18Å; I161-F227 HydrophobicContact CD1-CD1 4.32Å; I161-F227 HydrophobicContact CD1-CD2 4.32Å; I161-F227 HydrophobicContact CD1-CE1 3.93Å; I161-F227 HydrophobicContact CD1-CE2 3.93Å; I161-F227 HydrophobicContact CD1-CZ 3.72Å; I161-L230 HydrophobicContact CG2-CD2 4.38Å
162V93.6Very high88.5Confident0 Ų054.7 Ų54.70%026%0.257CS..Hα-helixtrans-58-44.8175.31730000111L158 Y164 I165 E166 L230 L234 F311 H316L158-V162 WeakPolarHBondContact O-CG2 3.32Å; L158-V162 PolarHBondContact O-N 3.19Å; V162-Y164 VanDerWaalsContact C-N 3.31Å; V162-Y164 PolarHBondContact O-N 2.93Å; V162-I165 WeakPolarHBondContact O-CB 3.22Å; V162-I165 PolarHBondContact O-N 3.03Å; V162-I165 VanDerWaalsContact O-N 3.14Å; V162-E166 HydrophobicContact CG1-CG 4.16Å; V162-E166 WeakPolarHBondContact O-CG 3.46Å; V162-E166 PolarHBondContact O-N 2.93Å; V162-L230 HydrophobicContact CG2-CD1 4.36Å; V162-L230 HydrophobicContact CG2-CD2 4.24Å; V162-L234 HydrophobicContact CB-CD1 4.5Å; V162-L234 HydrophobicContact CG1-CD1 4.08Å; V162-L234 HydrophobicContact CG2-CD1 3.78Å; V162-F311 HydrophobicContact CB-CD1 4.25Å; V162-F311 HydrophobicContact CB-CE1 4.07Å; V162-F311 HydrophobicContact CB-CZ 4.47Å; V162-F311 HydrophobicContact CG1-CD1 4.06Å; V162-F311 HydrophobicContact CG1-CE1 4.31Å; V162-F311 HydrophobicContact CG2-CD1 3.86Å; V162-F311 HydrophobicContact CG2-CD2 3.97Å; V162-F311 HydrophobicContact CG2-CE1 3.76Å; V162-F311 HydrophobicContact CG2-CE2 3.89Å; V162-F311 HydrophobicContact CG2-CG 3.98Å; V162-F311 HydrophobicContact CG2-CZ 3.79Å; V162-H316 HydrophobicContact CG1-CB 4.12Å
163S91.2Very high88.6Confident35 Ų3554.1 Ų54.125%0.24525%0.253CS..Hα-helixtrans-59.5-38.3175.3-157.60000113.1P159 R160 I161 R167P159-S163 WeakPolarHBondContact O-CB 3.48Å; P159-S163 PolarHBondContact O-N 3.3Å; R160-S163 PolarHBondContact O-N 3.27Å; I161-S163 VanDerWaalsContact C-N 3.33Å; I161-S163 PolarHBondContact O-N 2.95Å; S163-R167 VanDerWaalsContact O-CB 3.24Å; S163-R167 WeakPolarHBondContact O-CB 3.49Å; S163-R167 WeakPolarHBondContact O-CD 3.3Å; S163-R167 WeakPolarHBondContact O-CG 3.33Å; S163-R167 PolarHBondContact O-N 2.92Å; S163-R167 PolarHBondContact OG-NE 2.85Å
164Y90.6Very high88.9Confident35 Ų3553.7 Ų53.714%0.13725%0.246CC..Hα-helixtrans-70.4-33.7176.2-65.6-11.8000113R160 I161 V162 G168 I169 F170 L271R160-Y164 WeakPolarHBondContact CD-OH 3.29Å; R160-Y164 HydrophobicContact CG-CD2 4.48Å; R160-Y164 HydrophobicContact CG-CE1 3.94Å; R160-Y164 HydrophobicContact CG-CE2 3.89Å; R160-Y164 PolarHBondContact O-N 2.78Å; I161-Y164 PolarHBondContact O-N 3.37Å; I161-Y164 VanDerWaalsContact O-N 3.1Å; V162-Y164 VanDerWaalsContact C-N 3.31Å; V162-Y164 PolarHBondContact O-N 2.93Å; Y164-G168 PolarHBondContact O-N 2.62Å; Y164-I169 PolarHBondContact O-N 3.1Å; Y164-F170 PolarHBondContact O-N 2.87Å; Y164-L271 HydrophobicContact CD1-CD1 4.19Å; Y164-L271 HydrophobicContact CD2-CD1 4.27Å; Y164-L271 HydrophobicContact CE1-CD1 3.81Å; Y164-L271 HydrophobicContact CE2-CD1 3.9Å; Y164-L271 HydrophobicContact CE2-CG 4.19Å; Y164-L271 WeakPolarHBondContact CE2-O 3.4Å; Y164-L271 HydrophobicContact CG-CD1 4.41Å; Y164-L271 PolarHBondContact OH-O 2.8Å
165I91.9Very high89Confident8 Ų853.6 Ų53.64%0.04125%0.248CC..Hα-helixtrans-66.3-52.7173-65.8160.9000109.8I161 V162 R167 G168 F170 V231 Y236I161-I165 HydrophobicContact CG2-CD1 3.8Å; I161-I165 WeakPolarHBondContact O-CG1 3.46Å; I161-I165 PolarHBondContact O-N 3.18Å; V162-I165 WeakPolarHBondContact O-CB 3.22Å; V162-I165 PolarHBondContact O-N 3.03Å; V162-I165 VanDerWaalsContact O-N 3.14Å; I165-R167 VanDerWaalsContact C-N 3.33Å; I165-R167 PolarHBondContact O-N 2.95Å; I165-G168 PolarHBondContact O-N 3.16Å; I165-F170 HydrophobicContact CG1-CB 4.03Å; I165-F170 HydrophobicContact CG1-CD1 4Å; I165-F170 HydrophobicContact CG1-CG 4.14Å; I165-V231 HydrophobicContact CD1-CB 4.35Å; I165-V231 HydrophobicContact CD1-CG2 3.59Å; I165-V231 HydrophobicContact CG1-CG2 4.13Å; I165-Y236 HydrophobicContact CG2-CD1 3.99Å; I165-Y236 HydrophobicContact CG2-CD2 3.39Å; I165-Y236 HydrophobicContact CG2-CE2 4.01Å; I165-Y236 HydrophobicContact CG2-CG 3.38Å
166E91.6Very high89.6Confident64 Ų6451.2 Ų51.230%0.29924%0.243SC..Hα-helixtrans-65.6-33.9-176.4-67.1-174.8136.900113V162 G168 Y236 H316 G317V162-E166 HydrophobicContact CG1-CG 4.16Å; V162-E166 WeakPolarHBondContact O-CG 3.46Å; V162-E166 PolarHBondContact O-N 2.93Å; E166-G168 PolarHBondContact O-N 3.33Å; E166-Y236 HydrophobicContact CG-CE2 4.13Å; E166-H316 WeakPolarHBondContact OE1-CA 3.2Å; E166-H316 VanDerWaalsContact OE1-CB 3.26Å; E166-H316 WeakPolarHBondContact OE1-CB 3.2Å; E166-H316 IonicContact OE1-CG 3.76Å; E166-H316 IonicContact OE1-ND1 2.84Å; E166-H316 PolarHBondContact OE1-ND1 2.79Å; E166-H316 IonicContact OE2-CE1 2.74Å; E166-H316 IonicContact OE2-CG 3.83Å; E166-H316 IonicContact OE2-ND1 3.01Å; E166-H316 PolarHBondContact OE2-ND1 2.98Å; E166-G317 PolarHBondContact OE1-N 3.5Å
167R88.5Confident90.3Very high176 Ų17649.7 Ų49.766%0.66425%0.248SC*.THydrogen-bonded Turntrans-76.6-4.8172.7-67.5172.2-176.7-161.21.2113.5S163 I165 I169S163-R167 VanDerWaalsContact O-CB 3.24Å; S163-R167 WeakPolarHBondContact O-CB 3.49Å; S163-R167 WeakPolarHBondContact O-CD 3.3Å; S163-R167 WeakPolarHBondContact O-CG 3.33Å; S163-R167 PolarHBondContact O-N 2.92Å; S163-R167 PolarHBondContact OG-NE 2.85Å; I165-R167 VanDerWaalsContact C-N 3.33Å; I165-R167 PolarHBondContact O-N 2.95Å; R167-I169 VanDerWaalsContact C-N 3.26Å; R167-I169 HydrophobicContact CB-CD1 3.71Å; R167-I169 HydrophobicContact CB-CG1 3.83Å; R167-I169 PolarHBondContact O-N 2.91Å
168G85.3Confident90.7Very high37 Ų3750.6 Ų50.638%0.38126%0.262SS..THydrogen-bonded Turntrans67.124.1-178.100000114.2Y164 I165 E166 R171Y164-G168 PolarHBondContact O-N 2.62Å; I165-G168 PolarHBondContact O-N 3.16Å; E166-G168 PolarHBondContact O-N 3.33Å; G168-R171 VanDerWaalsContact O-CD 3.27Å; G168-R171 WeakPolarHBondContact O-CD 3.4Å; G168-R171 WeakPolarHBondContact O-CG 3.36Å
169I86.2Confident90.6Very high68 Ų6850.5 Ų50.535%0.34926%0.262SS..  trans-89.1-30.6179.2-55.8170000110.6Y164 R167 R171 L271Y164-I169 PolarHBondContact O-N 3.1Å; R167-I169 VanDerWaalsContact C-N 3.26Å; R167-I169 HydrophobicContact CB-CD1 3.71Å; R167-I169 HydrophobicContact CB-CG1 3.83Å; R167-I169 PolarHBondContact O-N 2.91Å; I169-R171 VanDerWaalsContact C-N 3.26Å; I169-R171 PolarHBondContact O-N 3.33Å; I169-L271 HydrophobicContact CG2-CD1 3.62Å; I169-L271 HydrophobicContact CG2-CD2 4.21Å
170F86.5Confident90.7Very high46 Ų4651.2 Ų51.220%0.20226%0.263CS..  trans-70.279.6172.8-168.5-107.9000110.7Y164 I165 F224 V231 F238 P239Y164-F170 PolarHBondContact O-N 2.87Å; I165-F170 HydrophobicContact CG1-CB 4.03Å; I165-F170 HydrophobicContact CG1-CD1 4Å; I165-F170 HydrophobicContact CG1-CG 4.14Å; F170-F224 HydrophobicContact CE2-CD1 4.27Å; F170-F224 HydrophobicContact CZ-CD1 4.22Å; F170-V231 HydrophobicContact CD1-CG2 4.13Å; F170-V231 HydrophobicContact CE1-CG2 3.7Å; F170-F238 HydrophobicContact CE1-CE2 4.38Å; F170-P239 HydrophobicContact CD1-CG 3.56Å; F170-P239 VanDerWaalsContact CE1-CD 3.47Å; F170-P239 HydrophobicContact CE1-CG 3.52Å; F170-P239 HydrophobicContact CG-CG 4.33Å; F170-P239 HydrophobicContact CZ-CG 4.26Å; F170-P239 WeakPolarHBondContact O-CG 3.45Å
171R87Confident90.6Very high182 Ų18249.4 Ų49.469%0.68726%0.257SS*.  trans-113.7-7.7-172.7-62.5179.871.4103.9-2.9114.5G168 I169G168-R171 VanDerWaalsContact O-CD 3.27Å; G168-R171 WeakPolarHBondContact O-CD 3.4Å; G168-R171 WeakPolarHBondContact O-CG 3.36Å; I169-R171 VanDerWaalsContact C-N 3.26Å; I169-R171 PolarHBondContact O-N 3.33Å
172F92.1Very high90.6Very high50 Ų5048.7 Ų48.722%0.21925%0.253CS..EExtended strand (participates in β ladder)trans-149.2156.1-177.960.5-92.3000111.3Y174 L241 F243 I248F172-Y174 HydrophobicContact CD2-CD1 4.13Å; F172-Y174 AromaticContact CE2-CD1 3.93Å; F172-Y174 HydrophobicContact CE2-CD1 3.93Å; F172-Y174 HydrophobicContact CE2-CE1 4.42Å; F172-L241 CarbonylContact C-O 3.56Å; F172-L241 VanDerWaalsContact CA-O 3.29Å; F172-L241 WeakPolarHBondContact CA-O 3.16Å; F172-L241 HydrophobicContact CB-CB 4.16Å; F172-F243 HydrophobicContact CB-CD2 3.69Å; F172-F243 HydrophobicContact CB-CE2 3.65Å; F172-F243 HydrophobicContact CD1-CD2 4.42Å; F172-F243 HydrophobicContact CD1-CE2 4.15Å; F172-F243 AromaticContact CD2-CD2 3.7Å; F172-F243 HydrophobicContact CD2-CD2 3.7Å; F172-F243 HydrophobicContact CD2-CE2 4.24Å; F172-F243 HydrophobicContact CE2-CD2 4.44Å; F172-F243 AromaticContact CG-CD2 3.69Å; F172-F243 HydrophobicContact CG-CD2 3.69Å; F172-F243 AromaticContact CG-CE2 3.76Å; F172-F243 HydrophobicContact CG-CE2 3.76Å; F172-I248 HydrophobicContact CD2-CD1 4.36Å; F172-I248 HydrophobicContact CE2-CD1 3.73Å; F172-I248 HydrophobicContact CE2-CG1 4.35Å; F172-I248 HydrophobicContact CZ-CD1 4.31Å
173V94.6Very high90.6Very high4 Ų449.8 Ų49.82%0.02426%0.257CS..EExtended strand (participates in β ladder)trans-106.2173.2164.1-56.90000109.2F224 F238 P239 L241 R242 F243V173-F224 HydrophobicContact CB-CB 4.1Å; V173-F224 HydrophobicContact CB-CD1 3.81Å; V173-F224 HydrophobicContact CB-CD2 3.96Å; V173-F224 HydrophobicContact CB-CE1 4.22Å; V173-F224 HydrophobicContact CB-CE2 4.38Å; V173-F224 HydrophobicContact CB-CG 3.67Å; V173-F224 HydrophobicContact CB-CZ 4.49Å; V173-F224 HydrophobicContact CG1-CB 3.59Å; V173-F224 HydrophobicContact CG1-CD1 3.6Å; V173-F224 HydrophobicContact CG1-CD2 4.36Å; V173-F224 HydrophobicContact CG1-CE1 4.39Å; V173-F224 HydrophobicContact CG1-CG 3.58Å; V173-F238 HydrophobicContact CG1-CE1 4.07Å; V173-F238 HydrophobicContact CG1-CZ 4.14Å; V173-P239 HydrophobicContact CG1-CB 4.27Å; V173-L241 PolarHBondContact N-O 3.29Å; V173-R242 HydrophobicContact CG2-CB 3.74Å; V173-R242 HydrophobicContact CG2-CG 4Å; V173-R242 VanDerWaalsContact O-CA 3.31Å; V173-R242 WeakPolarHBondContact O-CA 3.24Å; V173-F243 PolarHBondContact O-N 2.88Å
174Y94.8Very high90.9Very high7 Ų748.1 Ų48.13%0.02725%0.246CC..EExtended strand (participates in β ladder)trans-151.1171.917752.7-97.3000112.7F172 F224 F243 I248 L272 V277 T280F172-Y174 HydrophobicContact CD2-CD1 4.13Å; F172-Y174 AromaticContact CE2-CD1 3.93Å; F172-Y174 HydrophobicContact CE2-CD1 3.93Å; F172-Y174 HydrophobicContact CE2-CE1 4.42Å; Y174-F224 HydrophobicContact CD1-CE1 4.19Å; Y174-F224 AromaticContact CD1-CZ 3.65Å; Y174-F224 HydrophobicContact CD1-CZ 3.65Å; Y174-F224 HydrophobicContact CD2-CE2 4.27Å; Y174-F224 AromaticContact CD2-CZ 3.9Å; Y174-F224 HydrophobicContact CD2-CZ 3.9Å; Y174-F224 AromaticContact CE1-CE1 4Å; Y174-F224 HydrophobicContact CE1-CE1 4Å; Y174-F224 AromaticContact CE1-CZ 3.57Å; Y174-F224 HydrophobicContact CE1-CZ 3.57Å; Y174-F224 HydrophobicContact CE2-CE2 4.42Å; Y174-F224 AromaticContact CE2-CZ 3.81Å; Y174-F224 HydrophobicContact CE2-CZ 3.81Å; Y174-F224 HydrophobicContact CG-CE2 4.37Å; Y174-F224 AromaticContact CG-CZ 3.84Å; Y174-F224 HydrophobicContact CG-CZ 3.84Å; Y174-F224 AromaticContact CZ-CZ 3.68Å; Y174-F224 WeakPolarHBondContact O-CE2 3.4Å; Y174-F243 WeakPolarHBondContact CA-O 3.47Å; Y174-F243 WeakPolarHBondContact CB-O 3.2Å; Y174-I248 HydrophobicContact CD1-CB 4.43Å; Y174-I248 HydrophobicContact CD1-CG1 4.07Å; Y174-I248 HydrophobicContact CD1-CG2 3.91Å; Y174-I248 HydrophobicContact CD2-CG2 4.37Å; Y174-I248 HydrophobicContact CE1-CG2 3.93Å; Y174-I248 HydrophobicContact CE2-CG2 4.4Å; Y174-I248 HydrophobicContact CG-CB 4.23Å; Y174-I248 HydrophobicContact CG-CG1 3.9Å; Y174-I248 HydrophobicContact CG-CG2 4.12Å; Y174-L272 HydrophobicContact CE1-CD1 3.68Å; Y174-V277 HydrophobicContact CD2-CG1 4.33Å; Y174-V277 HydrophobicContact CE2-CB 4.29Å; Y174-V277 HydrophobicContact CE2-CG1 3.88Å; Y174-V277 HydrophobicContact CE2-CG2 4.43Å; Y174-T280 WeakPolarHBondContact CE2-OG1 3.31Å; Y174-T280 PolarHBondContact OH-OG1 2.95Å
175G92.3Very high91.2Very high11 Ų1146.4 Ų46.411%0.11324%0.239CC..SBendtrans73.8-171.8-175.100000112.9R242 F243G175-R242 VanDerWaalsContact O-CD 3.26Å; G175-R242 WeakPolarHBondContact O-CD 3.46Å; G175-R242 PolarHBondContact O-NE 3.14Å; G175-F243 PolarHBondContact N-O 2.85Å; G175-F243 VanDerWaalsContact N-O 3.1Å
176S92.1Very high91.4Very high51 Ų5146 Ų4636%0.35724%0.237SC..  trans-71.2142.2-177.4-173.60000111.4S178 S179 N222S176-S178 PolarHBondContact O-N 2.97Å; S176-S178 PolarHBondContact OG-N 2.72Å; S176-S178 VanDerWaalsContact OG-N 3.11Å; S176-S178 PolarHBondContact OG-OG 3.36Å; S176-S179 PolarHBondContact O-N 2.74Å; S176-S179 PolarHBondContact O-OG 3.49Å; S176-N222 PolarHBondContact O-ND2 3.06Å
177P92.1Very high91.7Very high83 Ų8345.8 Ų45.854%0.53924%0.238SC..THydrogen-bonded Turntrans-57.4-31.7163.824.4-33.3000112.4N222P177-N222 PolarHBondContact O-ND2 2.94Å; P177-N222 VanDerWaalsContact O-ND2 3.15Å
178S93.5Very high92.1Very high87 Ų8737.6 Ų37.661%0.60821%0.207SC*.THydrogen-bonded Turntrans-86.24.3179.3630000114.6S176 L180S176-S178 PolarHBondContact O-N 2.97Å; S176-S178 PolarHBondContact OG-N 2.72Å; S176-S178 VanDerWaalsContact OG-N 3.11Å; S176-S178 PolarHBondContact OG-OG 3.36Å; S178-L180 PolarHBondContact O-N 3.42Å
179S89.4Confident92.7Very high3 Ų335.9 Ų35.92%0.02119%0.189CC..  trans-70.5123.1174.863.60000110S176 N222 T283S176-S179 PolarHBondContact O-N 2.74Å; S176-S179 PolarHBondContact O-OG 3.49Å; S179-N222 VanDerWaalsContact O-CA 3.3Å; S179-N222 WeakPolarHBondContact O-CA 3.43Å; S179-N222 PolarHBondContact O-ND2 3.01Å; S179-N222 VanDerWaalsContact O-ND2 3.08Å; S179-N222 PolarHBondContact OG-ND2 3.45Å; S179-N222 VanDerWaalsContact OG-ND2 3.11Å; S179-T283 WeakPolarHBondContact CA-OG1 3.3Å
180L90.9Very high93.2Very high57 Ų5733 Ų3330%0.29818%0.175SC..  trans-110.1132.3-177.3-58.5178.1000111.7S178 P220 T283 H284 Y285S178-L180 PolarHBondContact O-N 3.42Å; L180-P220 HydrophobicContact CB-CB 4.11Å; L180-P220 HydrophobicContact CD1-CB 4.2Å; L180-T283 HydrophobicContact CB-CG2 4.3Å; L180-T283 PolarHBondContact N-OG1 3.35Å; L180-T283 CarbonylContact O-C 3.52Å; L180-T283 WeakPolarHBondContact O-CA 3.19Å; L180-H284 PolarHBondContact O-N 3.15Å; L180-Y285 HydrophobicContact CB-CD1 4.08Å; L180-Y285 HydrophobicContact CB-CE1 4.32Å; L180-Y285 HydrophobicContact CD1-CE1 4.41Å
181V87.8Confident93.7Very high4 Ų433 Ų332%0.02418%0.181CC..BIsolated β-bridgetrans-125.1164.3172.9-48.20000108.9F183 P220 V221 N223 H284V181-F183 HydrophobicContact CG2-CD2 4.17Å; V181-F183 HydrophobicContact CG2-CE2 3.37Å; V181-F183 HydrophobicContact CG2-CZ 3.8Å; V181-P220 WeakPolarHBondContact O-CA 3.16Å; V181-V221 PolarHBondContact N-O 3.29Å; V181-V221 PolarHBondContact O-N 2.97Å; V181-N223 HydrophobicContact CG1-CB 4.27Å; V181-N223 HydrophobicContact CG2-CB 3.83Å; V181-H284 WeakPolarHBondContact CA-O 3.36Å; V181-H284 VanDerWaalsContact CG1-CE1 3.43Å; V181-H284 WeakPolarHBondContact CG1-CE1 3.26Å
182E90.5Very high94.2Very high15 Ų1524.3 Ų24.37%0.0715%0.148CC..  trans-113.8153.1172.9-88177.7126.700112.6A147 G148 S216 P220 Y285 F286A147-E182 HydrophobicContact CB-CB 3.8Å; A147-E182 WeakPolarHBondContact CB-O 3.33Å; G148-E182 PolarHBondContact N-O 3.04Å; G148-E182 VanDerWaalsContact N-O 3.07Å; E182-S216 VanDerWaalsContact CD-CB 3.47Å; E182-S216 VanDerWaalsContact CD-OG 3.29Å; E182-S216 VanDerWaalsContact OE1-CB 3.23Å; E182-S216 WeakPolarHBondContact OE1-CB 3.35Å; E182-S216 PolarHBondContact OE1-OG 2.9Å; E182-P220 HydrophobicContact CG-CB 4.31Å; E182-P220 HydrophobicContact CG-CG 4.01Å; E182-Y285 WeakPolarHBondContact OE2-CA 3.19Å; E182-Y285 WeakPolarHBondContact OE2-CB 3.06Å; E182-F286 PolarHBondContact OE2-N 2.78Å
183F94.6Very high94.3Very high22 Ų2223.3 Ų23.310%0.09614%0.144CC..EExtended strand (participates in β ladder)trans-125.3159.9172-64.6-87.8000109.6G148 Y150 V181 D217 V221 F226 F227G148-F183 CarbonylContact O-C 3.54Å; G148-F183 WeakPolarHBondContact O-CA 3.45Å; G148-F183 WeakPolarHBondContact O-CB 3.4Å; G148-F183 WeakPolarHBondContact O-CD1 3.36Å; Y150-F183 HydrophobicContact CD1-CB 3.78Å; Y150-F183 HydrophobicContact CE1-CB 3.92Å; V181-F183 HydrophobicContact CG2-CD2 4.17Å; V181-F183 HydrophobicContact CG2-CE2 3.37Å; V181-F183 HydrophobicContact CG2-CZ 3.8Å; F183-D217 PolarHBondContact O-N 3.42Å; F183-V221 HydrophobicContact CD2-CG1 4.02Å; F183-V221 HydrophobicContact CE2-CG1 4.17Å; F183-F226 HydrophobicContact CB-CE1 4.26Å; F183-F226 HydrophobicContact CB-CE2 3.91Å; F183-F226 HydrophobicContact CB-CZ 3.77Å; F183-F226 AromaticContact CD1-CD1 3.89Å; F183-F226 HydrophobicContact CD1-CD1 3.89Å; F183-F226 AromaticContact CD1-CE1 3.55Å; F183-F226 HydrophobicContact CD1-CE1 3.55Å; F183-F226 AromaticContact CD1-CZ 3.96Å; F183-F226 HydrophobicContact CD1-CZ 3.96Å; F183-F226 HydrophobicContact CD2-CB 4.07Å; F183-F226 AromaticContact CD2-CD1 3.6Å; F183-F226 HydrophobicContact CD2-CD1 3.6Å; F183-F226 AromaticContact CD2-CD2 3.55Å; F183-F226 HydrophobicContact CD2-CD2 3.55Å; F183-F226 AromaticContact CD2-CE1 3.85Å; F183-F226 HydrophobicContact CD2-CE1 3.85Å; F183-F226 AromaticContact CD2-CE2 3.8Å; F183-F226 HydrophobicContact CD2-CE2 3.8Å; F183-F226 AromaticContact CD2-CG 3.44Å; F183-F226 HydrophobicContact CD2-CG 3.44Å; F183-F226 VanDerWaalsContact CD2-CG 3.44Å; F183-F226 AromaticContact CD2-CZ 3.95Å; F183-F226 HydrophobicContact CD2-CZ 3.95Å; F183-F226 AromaticContact CE1-CD1 3.7Å; F183-F226 HydrophobicContact CE1-CD1 3.7Å; F183-F226 AromaticContact CE1-CE1 3.77Å; F183-F226 HydrophobicContact CE1-CE1 3.77Å; F183-F226 HydrophobicContact CE1-CG 4.48Å; F183-F226 HydrophobicContact CE2-CB 3.54Å; F183-F226 AromaticContact CE2-CD1 3.37Å; F183-F226 HydrophobicContact CE2-CD1 3.37Å; F183-F226 AromaticContact CE2-CD2 3.93Å; F183-F226 HydrophobicContact CE2-CD2 3.93Å; F183-F226 HydrophobicContact CE2-CE1 4.03Å; F183-F226 AromaticContact CE2-CG 3.31Å; F183-F226 HydrophobicContact CE2-CG 3.31Å; F183-F226 AromaticContact CG-CD1 3.85Å; F183-F226 HydrophobicContact CG-CD1 3.85Å; F183-F226 HydrophobicContact CG-CD2 4.1Å; F183-F226 AromaticContact CG-CE1 3.61Å; F183-F226 HydrophobicContact CG-CE1 3.61Å; F183-F226 AromaticContact CG-CE2 3.87Å; F183-F226 HydrophobicContact CG-CE2 3.87Å; F183-F226 HydrophobicContact CG-CG 4.09Å; F183-F226 AromaticContact CG-CZ 3.62Å; F183-F226 HydrophobicContact CG-CZ 3.62Å; F183-F226 HydrophobicContact CZ-CB 4.18Å; F183-F226 AromaticContact CZ-CD1 3.44Å; F183-F226 HydrophobicContact CZ-CD1 3.44Å; F183-F226 VanDerWaalsContact CZ-CD1 3.44Å; F183-F226 HydrophobicContact CZ-CE1 4Å; F183-F226 AromaticContact CZ-CG 3.89Å; F183-F226 HydrophobicContact CZ-CG 3.89Å; F183-F227 HydrophobicContact CE1-CE2 4.27Å; F183-F227 AromaticContact CE1-CZ 3.94Å; F183-F227 HydrophobicContact CE1-CZ 3.94Å; F183-F227 HydrophobicContact CZ-CE2 4.06Å; F183-F227 HydrophobicContact CZ-CZ 4.17Å
184V96.5Very high94.2Very high0 Ų023.6 Ų23.60%015%0.145CC..EExtended strand (participates in β ladder)trans-132.3129.1173.165.50000108.6P146 A147 G148 I149 Y150 N188 L189 I215 D217P146-V184 HydrophobicContact CB-CG1 4.1Å; A147-V184 HydrophobicContact CB-CB 4.4Å; G148-V184 PolarHBondContact O-N 3.38Å; I149-V184 WeakPolarHBondContact CA-O 3.47Å; I149-V184 HydrophobicContact CB-CG1 4.45Å; I149-V184 HydrophobicContact CG1-CG1 4.03Å; Y150-V184 VanDerWaalsContact CD1-C 3.49Å; Y150-V184 WeakPolarHBondContact CD1-O 3.32Å; Y150-V184 PolarHBondContact N-O 2.93Å; Y150-V184 VanDerWaalsContact N-O 3.09Å; V184-N188 HydrophobicContact CG2-CB 4.16Å; V184-L189 HydrophobicContact CG1-CB 4.27Å; V184-L189 HydrophobicContact CG1-CD2 4.22Å; V184-L189 HydrophobicContact CG2-CB 3.97Å; V184-I215 HydrophobicContact CG2-CG2 4.02Å; V184-D217 WeakPolarHBondContact CA-OD1 3.4Å
185H97.8Very high94.3Very high0 Ų025.1 Ų25.10%015%0.153CC..EExtended strand (participates in β ladder)trans-67.3143.3172.8-172.1-118.6000109.9Y150 G151 D187 N188 L189 D217 H302 E306Y150-H185 AromaticContact CD2-CD2 3.9Å; Y150-H185 HydrophobicContact CE1-CB 3.94Å; Y150-H185 VanDerWaalsContact CE1-N 3.25Å; Y150-H185 HydrophobicContact CE2-CB 4.26Å; Y150-H185 AromaticContact CE2-CD2 3.68Å; Y150-H185 PolarHBondContact O-CD2 3.3Å; G151-H185 WeakPolarHBondContact CA-NE2 3.34Å; H185-D187 IonicContact CE1-OD2 3.97Å; H185-D187 PolarHBondContact CE1-OD2 3.48Å; H185-D187 VanDerWaalsContact CE1-OD2 3.29Å; H185-D187 PolarHBondContact ND1-N 3.02Å; H185-D187 IonicContact ND1-OD2 3.37Å; H185-D187 PolarHBondContact O-N 3.48Å; H185-N188 HydrophobicContact CB-CB 4.24Å; H185-N188 WeakPolarHBondContact O-CB 3.01Å; H185-N188 PolarHBondContact O-N 2.58Å; H185-N188 VanDerWaalsContact O-N 3.14Å; H185-L189 PolarHBondContact O-N 3.38Å; H185-D217 PolarHBondContact N-OD1 3.05Å; H185-H302 HydrophobicContact CB-CB 3.73Å; H185-H302 AromaticContact CE1-CE1 3.44Å; H185-H302 PolarHBondContact CE1-CE1 3.38Å; H185-H302 VanDerWaalsContact CE1-CE1 3.44Å; H185-H302 AromaticContact CE1-CG 3.96Å; H185-H302 AromaticContact CE1-ND1 3.36Å; H185-H302 PolarHBondContact CE1-ND1 2.83Å; H185-H302 AromaticContact CE1-NE2 4Å; H185-H302 AromaticContact CG-CD2 3.69Å; H185-H302 AromaticContact CG-CG 3.42Å; H185-H302 VanDerWaalsContact CG-CG 3.42Å; H185-H302 AromaticContact CG-ND1 3.65Å; H185-H302 AromaticContact ND1-CD2 3.34Å; H185-H302 PolarHBondContact ND1-CD2 3.5Å; H185-H302 VanDerWaalsContact ND1-CD2 3.34Å; H185-H302 AromaticContact ND1-CE1 3.08Å; H185-H302 PolarHBondContact ND1-CE1 2.92Å; H185-H302 AromaticContact ND1-CG 3.26Å; H185-H302 VanDerWaalsContact ND1-CG 3.26Å; H185-H302 AromaticContact ND1-ND1 3.07Å; H185-H302 PolarHBondContact ND1-ND1 3.19Å; H185-H302 AromaticContact ND1-NE2 3.19Å; H185-H302 PolarHBondContact ND1-NE2 2.97Å; H185-H302 VanDerWaalsContact ND1-NE2 3.19Å; H185-E306 IonicContact CD2-OE1 2.81Å; H185-E306 IonicContact CE1-OE1 3.84Å; H185-E306 IonicContact NE2-OE1 2.67Å; H185-E306 PolarHBondContact NE2-OE1 3.16Å
186V96.3Very high94.4Very high0 Ų024.7 Ų24.70%015%0.149CC..Hα-helixtrans-58.6-35-175.6710000112.4Y19 F20 I149 Y150 L189 V190Y19-V186 HydrophobicContact CE1-CB 4.16Å; Y19-V186 HydrophobicContact CE1-CG2 3.85Å; Y19-V186 HydrophobicContact CE2-CG2 4.36Å; Y19-V186 WeakPolarHBondContact OH-CB 3.3Å; Y19-V186 VanDerWaalsContact OH-CG1 3.31Å; Y19-V186 WeakPolarHBondContact OH-CG1 3.25Å; F20-V186 HydrophobicContact CD2-CG2 3.82Å; I149-V186 HydrophobicContact CG2-CB 4.15Å; I149-V186 HydrophobicContact CG2-CG2 4.2Å; Y150-V186 WeakPolarHBondContact O-CB 3.5Å; Y150-V186 PolarHBondContact O-N 2.88Å; V186-L189 PolarHBondContact O-N 3.46Å; V186-V190 WeakPolarHBondContact O-CG2 3.22Å; V186-V190 PolarHBondContact O-N 2.88Å
187D96.4Very high94.2Very high58 Ų5823.3 Ų23.331%0.3114%0.14SC..Hα-helixtrans-80.5-30.5-179.7-60.4-33.7000112.2R23 H185 L189 V190 S191R23-D187 IonicContact CZ-OD1 3.51Å; R23-D187 IonicContact NH1-OD1 2.64Å; R23-D187 PolarHBondContact NH1-OD1 3.18Å; R23-D187 IonicContact NH1-OD2 2.75Å; R23-D187 PolarHBondContact NH1-OD2 3.09Å; H185-D187 IonicContact CE1-OD2 3.97Å; H185-D187 PolarHBondContact CE1-OD2 3.48Å; H185-D187 VanDerWaalsContact CE1-OD2 3.29Å; H185-D187 PolarHBondContact ND1-N 3.02Å; H185-D187 IonicContact ND1-OD2 3.37Å; H185-D187 PolarHBondContact O-N 3.48Å; D187-L189 VanDerWaalsContact C-N 3.31Å; D187-L189 PolarHBondContact O-N 3.09Å; D187-V190 PolarHBondContact O-N 3.39Å; D187-S191 PolarHBondContact O-N 3.16Å
188N97.8Very high94.2Very high4 Ų421.6 Ų21.62%0.02113%0.125CC..Hα-helixtrans-61.4-40.9165.2-80.7-20000111.1V184 H185 S191 A192 D217 P299 Q300V184-N188 HydrophobicContact CG2-CB 4.16Å; H185-N188 HydrophobicContact CB-CB 4.24Å; H185-N188 WeakPolarHBondContact O-CB 3.01Å; H185-N188 PolarHBondContact O-N 2.58Å; H185-N188 VanDerWaalsContact O-N 3.14Å; N188-S191 WeakPolarHBondContact O-CB 2.95Å; N188-S191 PolarHBondContact O-N 2.78Å; N188-A192 PolarHBondContact O-N 3Å; N188-D217 PolarHBondContact ND2-OD1 3.09Å; N188-P299 WeakPolarHBondContact ND2-CB 3.22Å; N188-Q300 PolarHBondContact ND2-O 2.95Å; N188-Q300 PolarHBondContact OD1-N 3.17Å
189L97.2Very high94.3Very high1 Ų117.7 Ų17.71%0.00510%0.098CC..Hα-helixtrans-69-35.6177.3-173.859.2000112.5F20 P146 I149 V184 H185 V186 D187 A192 H193 I215F20-L189 HydrophobicContact CD1-CD2 4.35Å; F20-L189 HydrophobicContact CD2-CD2 4.01Å; F20-L189 HydrophobicContact CD2-CG 4.3Å; F20-L189 HydrophobicContact CE1-CD2 4.25Å; F20-L189 HydrophobicContact CE1-CG 4.39Å; F20-L189 HydrophobicContact CE2-CB 4.02Å; F20-L189 HydrophobicContact CE2-CD2 3.88Å; F20-L189 HydrophobicContact CE2-CG 3.68Å; F20-L189 HydrophobicContact CG-CD2 4.27Å; F20-L189 HydrophobicContact CZ-CD2 4.04Å; F20-L189 HydrophobicContact CZ-CG 3.77Å; P146-L189 HydrophobicContact CB-CD1 3.78Å; P146-L189 HydrophobicContact CB-CD2 3.77Å; P146-L189 HydrophobicContact CB-CG 4.44Å; P146-L189 HydrophobicContact CG-CD2 4.34Å; I149-L189 HydrophobicContact CD1-CD2 3.52Å; I149-L189 HydrophobicContact CG1-CD2 3.83Å; I149-L189 HydrophobicContact CG2-CD2 4.34Å; V184-L189 HydrophobicContact CG1-CB 4.27Å; V184-L189 HydrophobicContact CG1-CD2 4.22Å; V184-L189 HydrophobicContact CG2-CB 3.97Å; H185-L189 PolarHBondContact O-N 3.38Å; V186-L189 PolarHBondContact O-N 3.46Å; D187-L189 VanDerWaalsContact C-N 3.31Å; D187-L189 PolarHBondContact O-N 3.09Å; L189-A192 PolarHBondContact O-N 2.78Å; L189-H193 PolarHBondContact O-N 3.35Å; L189-H193 VanDerWaalsContact O-N 3.12Å; L189-H193 PolarHBondContact O-ND1 2.98Å; L189-I215 HydrophobicContact CD1-CB 4.22Å; L189-I215 HydrophobicContact CD1-CG2 3.83Å
190V96.6Very high94.4Very high9 Ų918.9 Ų18.96%0.05510%0.104CC..Hα-helixtrans-58.9-52170.2164.10000109.8F20 R23 L24 A27 V186 D187 A192 H193 M194F20-V190 HydrophobicContact CD2-CG2 4.3Å; F20-V190 HydrophobicContact CE2-CB 4.49Å; F20-V190 HydrophobicContact CE2-CG2 3.67Å; R23-V190 HydrophobicContact CB-CG2 4.25Å; L24-V190 HydrophobicContact CB-CG2 4.22Å; L24-V190 HydrophobicContact CD1-CB 4.4Å; L24-V190 HydrophobicContact CD1-CG1 3.95Å; L24-V190 HydrophobicContact CD1-CG2 4.4Å; A27-V190 HydrophobicContact CB-CG1 3.4Å; V186-V190 WeakPolarHBondContact O-CG2 3.22Å; V186-V190 PolarHBondContact O-N 2.88Å; D187-V190 PolarHBondContact O-N 3.39Å; V190-A192 VanDerWaalsContact C-N 3.31Å; V190-A192 PolarHBondContact O-N 3.21Å; V190-H193 PolarHBondContact O-N 3Å; V190-M194 HydrophobicContact CG1-SD 4.07Å; V190-M194 WeakPolarHBondContact O-CG 3.41Å; V190-M194 PolarHBondContact O-N 3.03Å; V190-M194 VanDerWaalsContact O-N 3.08Å
191S96.9Very high94.2Very high45 Ų4518.7 Ų18.732%0.31511%0.106SC..Hα-helixtrans-54.3-46.2177.5-175.60000112D187 N188 H193 M194 L195D187-S191 PolarHBondContact O-N 3.16Å; N188-S191 WeakPolarHBondContact O-CB 2.95Å; N188-S191 PolarHBondContact O-N 2.78Å; S191-H193 VanDerWaalsContact C-N 3.32Å; S191-H193 PolarHBondContact O-N 3.18Å; S191-M194 PolarHBondContact O-N 3.34Å; S191-M194 VanDerWaalsContact O-N 3.16Å; S191-L195 WeakPolarHBondContact O-CG 3.44Å; S191-L195 PolarHBondContact O-N 3.33Å
192A97.3Very high94.2Very high0 Ų022.7 Ų22.70%013%0.134CC..Hα-helixtrans-59.2-37.417600000113.9L144 N188 L189 V190 A196 I215 Y297L144-A192 HydrophobicContact CD1-CB 4.4Å; N188-A192 PolarHBondContact O-N 3Å; L189-A192 PolarHBondContact O-N 2.78Å; V190-A192 VanDerWaalsContact C-N 3.31Å; V190-A192 PolarHBondContact O-N 3.21Å; A192-A196 VanDerWaalsContact O-CB 3.22Å; A192-A196 WeakPolarHBondContact O-CB 3.46Å; A192-A196 PolarHBondContact O-N 3.08Å; A192-I215 HydrophobicContact CB-CB 4.45Å; A192-I215 HydrophobicContact CB-CD1 3.93Å; A192-I215 HydrophobicContact CB-CG1 4.06Å; A192-I215 HydrophobicContact CB-CG2 3.54Å; A192-Y297 HydrophobicContact CB-CD2 3.78Å; A192-Y297 HydrophobicContact CB-CE2 3.73Å
193H95.4Very high94.2Very high28 Ų2827.9 Ų27.913%0.1316%0.158CC..Hα-helixtrans-69.5-37.6176.3-78.169.2000112.1F20 L24 F75 L144 L189 V190 S191 A196 A197F20-H193 AromaticContact CE1-CE1 3.48Å; F20-H193 VanDerWaalsContact CE1-CE1 3.48Å; F20-H193 WeakPolarHBondContact CE1-CE1 3.5Å; F20-H193 AromaticContact CE1-ND1 3.95Å; F20-H193 AromaticContact CE1-NE2 3.55Å; F20-H193 AromaticContact CZ-CE1 3.39Å; F20-H193 WeakPolarHBondContact CZ-CE1 3.29Å; F20-H193 AromaticContact CZ-CG 3.8Å; F20-H193 AromaticContact CZ-ND1 3.38Å; F20-H193 WeakPolarHBondContact CZ-ND1 3.21Å; F20-H193 AromaticContact CZ-NE2 3.81Å; L24-H193 HydrophobicContact CD1-CB 3.89Å; L24-H193 HydrophobicContact CD2-CB 4Å; F75-H193 HydrophobicContact CE1-CB 4.36Å; L144-H193 HydrophobicContact CD1-CB 4.26Å; L144-H193 WeakPolarHBondContact CD1-ND1 3.38Å; L189-H193 PolarHBondContact O-N 3.35Å; L189-H193 VanDerWaalsContact O-N 3.12Å; L189-H193 PolarHBondContact O-ND1 2.98Å; V190-H193 PolarHBondContact O-N 3Å; S191-H193 VanDerWaalsContact C-N 3.32Å; S191-H193 PolarHBondContact O-N 3.18Å; H193-A196 PolarHBondContact O-N 3.34Å; H193-A197 WeakPolarHBondContact O-CB 3.34Å; H193-A197 PolarHBondContact O-N 3.43Å
194M93.1Very high94Very high11 Ų1130.7 Ų30.75%0.05417%0.17CC..Hα-helixtrans-65.3-50.5176-59.8179.1102.100110.5L24 A27 L28 R31 V190 S191 A196 A197 E198L24-M194 HydrophobicContact CD1-CG 4.33Å; A27-M194 HydrophobicContact CB-CE 4.45Å; A27-M194 HydrophobicContact CB-SD 4.37Å; L28-M194 HydrophobicContact CD2-CE 3.87Å; L28-M194 HydrophobicContact CD2-CG 4.15Å; L28-M194 HydrophobicContact CG-CE 4.38Å; R31-M194 HydrophobicContact CG-CE 4.03Å; R31-M194 VanDerWaalsContact NE-CE 3.31Å; V190-M194 HydrophobicContact CG1-SD 4.07Å; V190-M194 WeakPolarHBondContact O-CG 3.41Å; V190-M194 PolarHBondContact O-N 3.03Å; V190-M194 VanDerWaalsContact O-N 3.08Å; S191-M194 PolarHBondContact O-N 3.34Å; S191-M194 VanDerWaalsContact O-N 3.16Å; M194-A196 VanDerWaalsContact C-N 3.3Å; M194-A196 PolarHBondContact O-N 2.94Å; M194-A197 PolarHBondContact O-N 3.29Å; M194-E198 WeakPolarHBondContact O-CB 3.3Å; M194-E198 VanDerWaalsContact O-CG 3.32Å; M194-E198 WeakPolarHBondContact O-CG 3.1Å; M194-E198 PolarHBondContact O-N 3.03Å
195L96.6Very high93.8Very high38 Ų3837.9 Ų37.920%0.19920%0.203CC..Hα-helixtrans-59-39176.3-67.2171.5000112.5S191 A199 L295 Y297S191-L195 WeakPolarHBondContact O-CG 3.44Å; S191-L195 PolarHBondContact O-N 3.33Å; L195-A199 WeakPolarHBondContact O-CB 3.47Å; L195-A199 PolarHBondContact O-N 2.67Å; L195-L295 HydrophobicContact CB-CB 4.26Å; L195-Y297 HydrophobicContact CD1-CD2 4.31Å
196A94.3Very high93.6Very high2 Ų240.5 Ų40.52%0.01722%0.216CC..Hα-helixtrans-67.3-39.5177.300000112.9L144 A192 H193 M194 A199 L200 S208 L295L144-A196 HydrophobicContact CD1-CB 3.91Å; L144-A196 HydrophobicContact CD2-CB 3.98Å; L144-A196 HydrophobicContact CG-CB 4.23Å; A192-A196 VanDerWaalsContact O-CB 3.22Å; A192-A196 WeakPolarHBondContact O-CB 3.46Å; A192-A196 PolarHBondContact O-N 3.08Å; H193-A196 PolarHBondContact O-N 3.34Å; M194-A196 VanDerWaalsContact C-N 3.3Å; M194-A196 PolarHBondContact O-N 2.94Å; A196-A199 PolarHBondContact O-N 2.7Å; A196-L200 PolarHBondContact O-N 2.96Å; A196-S208 PolarHBondContact O-OG 3.19Å; A196-L295 HydrophobicContact CB-CD1 4.13Å
197A88.3Confident93.6Very high22 Ų2246.8 Ų46.818%0.18224%0.24CC..Hα-helixtrans-70.6-43.8176.200000111.9F75 H193 M194 A199 L200F75-A197 HydrophobicContact CE1-CB 3.93Å; F75-A197 HydrophobicContact CZ-CB 3.77Å; H193-A197 WeakPolarHBondContact O-CB 3.34Å; H193-A197 PolarHBondContact O-N 3.43Å; M194-A197 PolarHBondContact O-N 3.29Å; A197-A199 VanDerWaalsContact C-N 3.26Å; A197-A199 PolarHBondContact O-N 2.83Å; A197-L200 WeakPolarHBondContact O-CB 3.48Å; A197-L200 PolarHBondContact O-N 3.07Å
198E91.8Very high93.5Very high47 Ų4744 Ų4422%0.2223%0.225CC..Hα-helixtrans-55.8-43.1170.3-71.5167.7-149.200110.5R31 M194 L200 T201 K204R31-E198 IonicContact CZ-OE1 3.63Å; R31-E198 IonicContact NH1-OE1 2.86Å; R31-E198 PolarHBondContact NH1-OE1 2.86Å; R31-E198 IonicContact NH2-OE1 3.97Å; M194-E198 WeakPolarHBondContact O-CB 3.3Å; M194-E198 VanDerWaalsContact O-CG 3.32Å; M194-E198 WeakPolarHBondContact O-CG 3.1Å; M194-E198 PolarHBondContact O-N 3.03Å; E198-L200 PolarHBondContact O-N 3.12Å; E198-T201 WeakPolarHBondContact O-CB 3.34Å; E198-T201 WeakPolarHBondContact O-CG2 3.48Å; E198-T201 PolarHBondContact O-N 2.97Å; E198-T201 VanDerWaalsContact O-N 3.08Å; E198-T201 PolarHBondContact O-OG1 3.12Å; E198-K204 WeakPolarHBondContact O-CB 3.42Å; E198-K204 WeakPolarHBondContact O-CG 3.42Å
199A94.9Very high93.4Very high5 Ų544.8 Ų44.84%0.04123%0.231CC..THydrogen-bonded Turntrans-66.5-14.6176.400000115.1L195 A196 A197 H206 R207 S208 L295L195-A199 WeakPolarHBondContact O-CB 3.47Å; L195-A199 PolarHBondContact O-N 2.67Å; A196-A199 PolarHBondContact O-N 2.7Å; A197-A199 VanDerWaalsContact C-N 3.26Å; A197-A199 PolarHBondContact O-N 2.83Å; A199-H206 CarbonylContact O-C 3.49Å; A199-H206 VanDerWaalsContact O-CA 3.3Å; A199-H206 WeakPolarHBondContact O-CA 3.34Å; A199-R207 PolarHBondContact O-N 3.47Å; A199-S208 WeakPolarHBondContact CB-OG 3.39Å; A199-S208 PolarHBondContact O-N 2.93Å; A199-S208 PolarHBondContact O-OG 3.11Å; A199-L295 HydrophobicContact CB-CD2 3.65Å
200L90.9Very high93.2Very high29 Ų2945.9 Ų45.915%0.15224%0.243CC..THydrogen-bonded Turntrans-81.4-16.9171.8-70.3174.5000112.7R140 C142 A196 A197 E198 H206 S208 A209R140-L200 HydrophobicContact CB-CD2 4.1Å; C142-L200 HydrophobicContact CB-CD2 4.17Å; A196-L200 PolarHBondContact O-N 2.96Å; A197-L200 WeakPolarHBondContact O-CB 3.48Å; A197-L200 PolarHBondContact O-N 3.07Å; E198-L200 PolarHBondContact O-N 3.12Å; L200-H206 PolarHBondContact O-ND1 3.45Å; L200-S208 VanDerWaalsContact CD2-OG 3.25Å; L200-S208 WeakPolarHBondContact CD2-OG 3.42Å; L200-S208 VanDerWaalsContact CG-OG 3.27Å; L200-S208 WeakPolarHBondContact CG-OG 3.47Å; L200-S208 PolarHBondContact N-OG 3.33Å; L200-S208 VanDerWaalsContact N-OG 3.13Å; L200-A209 HydrophobicContact CD2-CB 4.28Å
201T88.1Confident93.1Very high53 Ų5348.5 Ų48.533%0.32526%0.255SS..SBendtrans-69.4161.7-179.169.20000112.8E198 E203 K204 Q205 H206E198-T201 WeakPolarHBondContact O-CB 3.34Å; E198-T201 WeakPolarHBondContact O-CG2 3.48Å; E198-T201 PolarHBondContact O-N 2.97Å; E198-T201 VanDerWaalsContact O-N 3.08Å; E198-T201 PolarHBondContact O-OG1 3.12Å; T201-E203 VanDerWaalsContact C-N 3.29Å; T201-K204 PolarHBondContact OG1-N 2.95Å; T201-Q205 PolarHBondContact O-N 2.88Å; T201-H206 VanDerWaalsContact C-ND1 3.3Å; T201-H206 PolarHBondContact O-N 3.05Å; T201-H206 PolarHBondContact O-ND1 3.4Å; T201-H206 VanDerWaalsContact O-ND1 3.14Å
202S87.9Confident92.9Very high88 Ų8847.2 Ų47.262%0.61525%0.247SC*.THydrogen-bonded Turntrans-64.7-32.7172.741.20000112.7K204 Q205 H206S202-K204 VanDerWaalsContact C-N 3.35Å; S202-K204 PolarHBondContact O-N 2.87Å; S202-Q205 WeakPolarHBondContact O-CA 3.4Å; S202-Q205 PolarHBondContact O-N 2.94Å; S202-H206 WeakPolarHBondContact CA-CE1 3.33Å; S202-H206 PolarHBondContact N-CE1 3.28Å; S202-H206 VanDerWaalsContact N-CE1 3.27Å
203E89.4Confident92.8Very high124 Ų12447.2 Ų47.258%0.57925%0.247SC*.THydrogen-bonded Turntrans-60.6-42.8178.3-60.4-179.7-173.500112.1T201 Q205T201-E203 VanDerWaalsContact C-N 3.29Å; E203-Q205 PolarHBondContact O-N 3.45Å
204K91.1Very high92.6Very high80 Ų8048.5 Ų48.535%0.34825%0.252SS..THydrogen-bonded Turntrans-89.721.6173.9-50.9-63-176.7-175.90112.4E2 E198 T201 S202 H206 R207E2-K204 IonicContact OE1-NZ 2.96Å; E2-K204 PolarHBondContact OE1-NZ 3.4Å; E198-K204 WeakPolarHBondContact O-CB 3.42Å; E198-K204 WeakPolarHBondContact O-CG 3.42Å; T201-K204 PolarHBondContact OG1-N 2.95Å; S202-K204 VanDerWaalsContact C-N 3.35Å; S202-K204 PolarHBondContact O-N 2.87Å; K204-H206 PolarHBondContact O-N 2.73Å; K204-H206 VanDerWaalsContact O-N 3.15Å; K204-R207 WeakPolarHBondContact O-CB 3.48Å; K204-R207 PolarHBondContact O-N 3.01Å; K204-R207 VanDerWaalsContact O-N 3.17Å
205Q92.6Very high92.8Very high151 Ų15148 Ų4871%0.70625%0.25SC*.THydrogen-bonded Turntrans56.626.9175.7-58.5176.6-21.900114.9T201 S202 E203 R207T201-Q205 PolarHBondContact O-N 2.88Å; S202-Q205 WeakPolarHBondContact O-CA 3.4Å; S202-Q205 PolarHBondContact O-N 2.94Å; E203-Q205 PolarHBondContact O-N 3.45Å; Q205-R207 PolarHBondContact O-N 3.07Å
206H93.4Very high92.7Very high55 Ų5546.3 Ų46.326%0.25524%0.241SC..THydrogen-bonded Turntrans55.129.7-175.8-44.6-57.3000113.7R140 A199 L200 T201 S202 K204 S208 A209R140-H206 WeakPolarHBondContact CD-ND1 3.4Å; R140-H206 VanDerWaalsContact CZ-CE1 3.41Å; R140-H206 PolarHBondContact NE-CD2 3.4Å; R140-H206 PolarHBondContact NE-CE1 2.98Å; R140-H206 PolarHBondContact NE-ND1 2.91Å; R140-H206 PolarHBondContact NE-NE2 3.43Å; R140-H206 PolarHBondContact NH2-CE1 2.66Å; R140-H206 VanDerWaalsContact NH2-CE1 3.3Å; R140-H206 PolarHBondContact NH2-NE2 3.15Å; A199-H206 CarbonylContact O-C 3.49Å; A199-H206 VanDerWaalsContact O-CA 3.3Å; A199-H206 WeakPolarHBondContact O-CA 3.34Å; L200-H206 PolarHBondContact O-ND1 3.45Å; T201-H206 VanDerWaalsContact C-ND1 3.3Å; T201-H206 PolarHBondContact O-N 3.05Å; T201-H206 PolarHBondContact O-ND1 3.4Å; T201-H206 VanDerWaalsContact O-ND1 3.14Å; S202-H206 WeakPolarHBondContact CA-CE1 3.33Å; S202-H206 PolarHBondContact N-CE1 3.28Å; S202-H206 VanDerWaalsContact N-CE1 3.27Å; K204-H206 PolarHBondContact O-N 2.73Å; K204-H206 VanDerWaalsContact O-N 3.15Å; H206-S208 PolarHBondContact O-N 3.24Å; H206-S208 VanDerWaalsContact O-N 3.07Å; H206-A209 HydrophobicContact CB-CB 4.06Å; H206-A209 WeakPolarHBondContact O-CB 3.47Å; H206-A209 PolarHBondContact O-N 3.33Å
207R95.1Very high92.8Very high133 Ų13346.8 Ų46.850%0.50224%0.243SC..THydrogen-bonded Turntrans-54.3-30.6-172.4-175.1178.5-73.7179.9-2.4114.3A199 K204 Q205 E294A199-R207 PolarHBondContact O-N 3.47Å; K204-R207 WeakPolarHBondContact O-CB 3.48Å; K204-R207 PolarHBondContact O-N 3.01Å; K204-R207 VanDerWaalsContact O-N 3.17Å; Q205-R207 PolarHBondContact O-N 3.07Å; R207-E294 WeakPolarHBondContact CD-O 3.27Å; R207-E294 HydrophobicContact CG-CB 4.17Å; R207-E294 HydrophobicContact CG-CG 4.47Å
208S94.8Very high93.1Very high0 Ų047.2 Ų47.20%025%0.25CC..THydrogen-bonded Turntrans-86.8-4.6176.661.30000115.1C142 A196 A199 L200 H206 G210 Q211 Y213C142-S208 WeakPolarHBondContact CB-O 3.23Å; A196-S208 PolarHBondContact O-OG 3.19Å; A199-S208 WeakPolarHBondContact CB-OG 3.39Å; A199-S208 PolarHBondContact O-N 2.93Å; A199-S208 PolarHBondContact O-OG 3.11Å; L200-S208 VanDerWaalsContact CD2-OG 3.25Å; L200-S208 WeakPolarHBondContact CD2-OG 3.42Å; L200-S208 VanDerWaalsContact CG-OG 3.27Å; L200-S208 WeakPolarHBondContact CG-OG 3.47Å; L200-S208 PolarHBondContact N-OG 3.33Å; L200-S208 VanDerWaalsContact N-OG 3.13Å; H206-S208 PolarHBondContact O-N 3.24Å; H206-S208 VanDerWaalsContact O-N 3.07Å; S208-G210 PolarHBondContact O-N 2.81Å; S208-Q211 VanDerWaalsContact O-CB 3.32Å; S208-Q211 WeakPolarHBondContact O-CB 3.36Å; S208-Q211 PolarHBondContact O-N 3.46Å; S208-Y213 WeakPolarHBondContact CA-OH 3.41Å
209A95Very high93.1Very high19 Ų1949.9 Ų49.916%0.15726%0.258CS..THydrogen-bonded Turntrans-63.9128-177.300000112.2N128 R140 T141 L200 H206 Q211N128-A209 WeakPolarHBondContact OD1-CB 3.33Å; R140-A209 HydrophobicContact CB-CB 4.33Å; R140-A209 HydrophobicContact CG-CB 4.44Å; T141-A209 CarbonylContact O-C 3.09Å; L200-A209 HydrophobicContact CD2-CB 4.28Å; H206-A209 HydrophobicContact CB-CB 4.06Å; H206-A209 WeakPolarHBondContact O-CB 3.47Å; H206-A209 PolarHBondContact O-N 3.33Å; A209-Q211 PolarHBondContact O-N 3.04Å; A209-Q211 PolarHBondContact O-NE2 3.34Å
210G93.4Very high93Very high25 Ų2552 Ų5226%0.25827%0.272SS..THydrogen-bonded Turntrans70.98-175.400000114.3N128 T141 S208N128-G210 PolarHBondContact OD1-N 3.4Å; T141-G210 PolarHBondContact O-N 2.96Å; S208-G210 PolarHBondContact O-N 2.81Å
211Q95.7Very high93.3Very high63 Ų6352.7 Ų52.729%0.29428%0.276SS..  trans-102.1145.3-174.1-52.9-46.4-50.700113.2C142 A143 S208 A209 Y213C142-Q211 CarbonylContact C-O 3.5Å; C142-Q211 VanDerWaalsContact CA-O 3.31Å; C142-Q211 WeakPolarHBondContact CA-O 3.31Å; C142-Q211 WeakPolarHBondContact CB-O 3.39Å; A143-Q211 PolarHBondContact N-O 3.44Å; S208-Q211 VanDerWaalsContact O-CB 3.32Å; S208-Q211 WeakPolarHBondContact O-CB 3.36Å; S208-Q211 PolarHBondContact O-N 3.46Å; A209-Q211 PolarHBondContact O-N 3.04Å; A209-Q211 PolarHBondContact O-NE2 3.34Å; Q211-Y213 HydrophobicContact CB-CD2 4.44Å; Q211-Y213 HydrophobicContact CB-CE1 4.4Å; Q211-Y213 HydrophobicContact CB-CE2 3.53Å; Q211-Y213 VanDerWaalsContact CB-CZ 3.5Å; Q211-Y213 VanDerWaalsContact CB-OH 3.25Å; Q211-Y213 WeakPolarHBondContact CB-OH 3.5Å; Q211-Y213 WeakPolarHBondContact CG-OH 3.49Å
212A92.5Very high93.6Very high18 Ų1850.5 Ų50.515%0.14926%0.263CS..EExtended strand (participates in β ladder)trans-110.2142.6166.300000111.5L125 A143L125-A212 HydrophobicContact CD1-CB 4.15Å; A143-A212 HydrophobicContact CB-CB 4.1Å; A143-A212 CarbonylContact O-C 3.47Å; A143-A212 VanDerWaalsContact O-CA 3.27Å; A143-A212 WeakPolarHBondContact O-CA 3.38Å
213Y94.9Very high93.9Very high1 Ų147.1 Ų47.10%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-132.2136.1-177.5-57.5-81.5000111.9A143 L144 R145 S208 Q211 K290 A291 E294 L295A143-Y213 PolarHBondContact O-N 3.12Å; L144-Y213 HydrophobicContact CD2-CD2 3.89Å; L144-Y213 HydrophobicContact CD2-CG 4.26Å; R145-Y213 WeakPolarHBondContact CB-O 3.24Å; R145-Y213 PolarHBondContact N-O 2.93Å; S208-Y213 WeakPolarHBondContact CA-OH 3.41Å; Q211-Y213 HydrophobicContact CB-CD2 4.44Å; Q211-Y213 HydrophobicContact CB-CE1 4.4Å; Q211-Y213 HydrophobicContact CB-CE2 3.53Å; Q211-Y213 VanDerWaalsContact CB-CZ 3.5Å; Q211-Y213 VanDerWaalsContact CB-OH 3.25Å; Q211-Y213 WeakPolarHBondContact CB-OH 3.5Å; Q211-Y213 WeakPolarHBondContact CG-OH 3.49Å; Y213-K290 HydrophobicContact CD1-CB 4.29Å; Y213-K290 HydrophobicContact CD1-CD 4.03Å; Y213-K290 HydrophobicContact CD1-CG 4.02Å; Y213-K290 HydrophobicContact CE1-CD 3.91Å; Y213-K290 HydrophobicContact CE1-CG 3.84Å; Y213-A291 HydrophobicContact CD1-CB 4.21Å; Y213-E294 HydrophobicContact CE1-CB 3.89Å; Y213-E294 HydrophobicContact CE1-CG 4.5Å; Y213-E294 WeakPolarHBondContact CE1-OE2 3.33Å; Y213-E294 VanDerWaalsContact CZ-OE2 3.26Å; Y213-E294 PolarHBondContact OH-OE2 3.42Å; Y213-L295 HydrophobicContact CD1-CD1 4.14Å; Y213-L295 HydrophobicContact CD1-CG 4.25Å; Y213-L295 HydrophobicContact CD2-CD1 3.91Å; Y213-L295 HydrophobicContact CD2-CD2 4.49Å; Y213-L295 HydrophobicContact CD2-CG 4.47Å; Y213-L295 HydrophobicContact CE1-CD1 4.38Å; Y213-L295 HydrophobicContact CE1-CD2 4.24Å; Y213-L295 HydrophobicContact CE1-CG 4.05Å; Y213-L295 HydrophobicContact CE2-CD1 4.15Å; Y213-L295 HydrophobicContact CE2-CD2 3.89Å; Y213-L295 HydrophobicContact CE2-CG 4.27Å; Y213-L295 HydrophobicContact CG-CD1 3.9Å; Y213-L295 HydrophobicContact CG-CG 4.45Å
214F91.6Very high94.2Very high54 Ų5441.6 Ų41.624%0.23721%0.212CC..EExtended strand (participates in β ladder)trans-85.6131.2166.8-68.2-79000110R145 F286 M288R145-F214 HydrophobicContact CB-CD1 3.64Å; R145-F214 HydrophobicContact CB-CE1 4Å; R145-F214 HydrophobicContact CB-CG 4.36Å; R145-F214 VanDerWaalsContact CD-CE1 3.4Å; R145-F214 HydrophobicContact CG-CD1 4.4Å; R145-F214 HydrophobicContact CG-CE1 4.38Å; R145-F214 VanDerWaalsContact NH1-CE2 3.31Å; F214-F286 HydrophobicContact CB-CB 3.86Å; F214-F286 HydrophobicContact CD1-CB 3.43Å; F214-F286 VanDerWaalsContact CD1-CB 3.43Å; F214-F286 HydrophobicContact CD1-CD1 4.19Å; F214-F286 AromaticContact CD1-CD2 3.77Å; F214-F286 HydrophobicContact CD1-CD2 3.77Å; F214-F286 AromaticContact CD1-CG 3.53Å; F214-F286 HydrophobicContact CD1-CG 3.53Å; F214-F286 HydrophobicContact CD2-CB 3.81Å; F214-F286 HydrophobicContact CD2-CG 4.39Å; F214-F286 HydrophobicContact CE1-CB 3.79Å; F214-F286 AromaticContact CE1-CD1 3.62Å; F214-F286 HydrophobicContact CE1-CD1 3.62Å; F214-F286 AromaticContact CE1-CD2 3.66Å; F214-F286 HydrophobicContact CE1-CD2 3.66Å; F214-F286 HydrophobicContact CE1-CE1 4.07Å; F214-F286 HydrophobicContact CE1-CE2 4.1Å; F214-F286 AromaticContact CE1-CG 3.39Å; F214-F286 HydrophobicContact CE1-CG 3.39Å; F214-F286 HydrophobicContact CE1-CZ 4.29Å; F214-F286 HydrophobicContact CE2-CB 4.15Å; F214-F286 HydrophobicContact CE2-CD1 4.1Å; F214-F286 HydrophobicContact CE2-CG 4.28Å; F214-F286 HydrophobicContact CG-CB 3.43Å; F214-F286 VanDerWaalsContact CG-CB 3.43Å; F214-F286 HydrophobicContact CG-CG 4.03Å; F214-F286 HydrophobicContact CZ-CB 4.13Å; F214-F286 AromaticContact CZ-CD1 3.56Å; F214-F286 HydrophobicContact CZ-CD1 3.56Å; F214-F286 HydrophobicContact CZ-CD2 4.44Å; F214-F286 HydrophobicContact CZ-CE1 4.03Å; F214-F286 AromaticContact CZ-CG 3.79Å; F214-F286 HydrophobicContact CZ-CG 3.79Å; F214-M288 WeakPolarHBondContact O-CB 3.37Å
215I96.9Very high94.4Very high1 Ų141 Ų411%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-122116.9-176.6-53-60000109.2L144 R145 P146 A147 V184 L189 A192 A291 Y297L144-I215 HydrophobicContact CB-CG1 4.25Å; L144-I215 HydrophobicContact CD2-CD1 4.09Å; L144-I215 HydrophobicContact CD2-CG1 4Å; L144-I215 HydrophobicContact CG-CG1 4.49Å; R145-I215 PolarHBondContact O-N 3.1Å; P146-I215 WeakPolarHBondContact CA-O 3.38Å; A147-I215 PolarHBondContact N-O 3.02Å; V184-I215 HydrophobicContact CG2-CG2 4.02Å; L189-I215 HydrophobicContact CD1-CB 4.22Å; L189-I215 HydrophobicContact CD1-CG2 3.83Å; A192-I215 HydrophobicContact CB-CB 4.45Å; A192-I215 HydrophobicContact CB-CD1 3.93Å; A192-I215 HydrophobicContact CB-CG1 4.06Å; A192-I215 HydrophobicContact CB-CG2 3.54Å; I215-A291 HydrophobicContact CD1-CB 3.77Å; I215-Y297 HydrophobicContact CD1-CD1 4.28Å; I215-Y297 HydrophobicContact CD1-CE1 4.49Å; I215-Y297 HydrophobicContact CG2-CE1 3.92Å; I215-Y297 HydrophobicContact CG2-CE2 4.15Å
216S94.6Very high94.5Very high2 Ų235.1 Ų35.11%0.01418%0.183CC..  trans-141.9170.5178.170.50000110.7E182 G218 Y297E182-S216 VanDerWaalsContact CD-CB 3.47Å; E182-S216 VanDerWaalsContact CD-OG 3.29Å; E182-S216 VanDerWaalsContact OE1-CB 3.23Å; E182-S216 WeakPolarHBondContact OE1-CB 3.35Å; E182-S216 PolarHBondContact OE1-OG 2.9Å; S216-G218 PolarHBondContact O-N 3Å; S216-G218 PolarHBondContact OG-N 3.42Å; S216-G218 VanDerWaalsContact OG-N 3.1Å; S216-Y297 WeakPolarHBondContact O-CE1 3.46Å; S216-Y297 PolarHBondContact O-OH 2.89Å
217D96.4Very high94.6Very high13 Ų1333.4 Ų33.47%0.0717%0.174CC..  trans-75.8-0.8166.6-72.2-1.7000112.6Y150 F183 V184 H185 N188 R219Y150-D217 VanDerWaalsContact CE1-OD2 3.28Å; Y150-D217 WeakPolarHBondContact CE1-OD2 3.45Å; Y150-D217 PolarHBondContact OH-OD2 2.85Å; F183-D217 PolarHBondContact O-N 3.42Å; V184-D217 WeakPolarHBondContact CA-OD1 3.4Å; H185-D217 PolarHBondContact N-OD1 3.05Å; N188-D217 PolarHBondContact ND2-OD1 3.09Å; D217-R219 VanDerWaalsContact C-N 3.29Å; D217-R219 PolarHBondContact O-N 3.23Å; D217-R219 IonicContact OD2-NH2 2.66Å; D217-R219 PolarHBondContact OD2-NH2 3.24Å
218G93.4Very high94.7Very high31 Ų3130.6 Ų30.632%0.3216%0.164SC..SBendtrans70.615.4-179.300000116.6S216 P220S216-G218 PolarHBondContact O-N 3Å; S216-G218 PolarHBondContact OG-N 3.42Å; S216-G218 VanDerWaalsContact OG-N 3.1Å; G218-P220 WeakPolarHBondContact O-CD 3.32Å
219R93Very high94.7Very high103 Ų10333.2 Ų33.239%0.38918%0.181SC..  trans-11978.7-177.7-63.8176-63.5165.99.6110.8Y150 D217 V221 D301 H302Y150-R219 PolarHBondContact OH-NH2 3.19Å; D217-R219 VanDerWaalsContact C-N 3.29Å; D217-R219 PolarHBondContact O-N 3.23Å; D217-R219 IonicContact OD2-NH2 2.66Å; D217-R219 PolarHBondContact OD2-NH2 3.24Å; R219-V221 PolarHBondContact O-N 3.13Å; R219-D301 IonicContact CZ-OD1 3.3Å; R219-D301 IonicContact NE-OD1 3.15Å; R219-D301 IonicContact NH1-OD1 3.33Å; R219-D301 PolarHBondContact NH1-OD1 3.01Å; R219-H302 VanDerWaalsContact CZ-O 3.32Å; R219-H302 PolarHBondContact NH1-O 3.15Å; R219-H302 PolarHBondContact NH2-O 2.87Å
220P93.2Very high94.8Very high50 Ų5032.3 Ų32.333%0.32517%0.173SC..  trans-58.7126.5173.8-23.333.8000111.4L180 V181 E182 G218 Y285L180-P220 HydrophobicContact CB-CB 4.11Å; L180-P220 HydrophobicContact CD1-CB 4.2Å; V181-P220 WeakPolarHBondContact O-CA 3.16Å; E182-P220 HydrophobicContact CG-CB 4.31Å; E182-P220 HydrophobicContact CG-CG 4.01Å; G218-P220 WeakPolarHBondContact O-CD 3.32Å; P220-Y285 HydrophobicContact CB-CD1 4.34Å; P220-Y285 HydrophobicContact CB-CD2 4.16Å; P220-Y285 HydrophobicContact CB-CG 4.07Å; P220-Y285 HydrophobicContact CG-CD2 3.66Å; P220-Y285 HydrophobicContact CG-CE2 4.01Å; P220-Y285 HydrophobicContact CG-CG 4.05Å
221V95.3Very high94.9Very high42 Ų4231.2 Ų31.226%0.25516%0.161SC..BIsolated β-bridgetrans-145.1156.1-170.160.70000110.2V181 F183 R219 N223 F226V181-V221 PolarHBondContact N-O 3.29Å; V181-V221 PolarHBondContact O-N 2.97Å; F183-V221 HydrophobicContact CD2-CG1 4.02Å; F183-V221 HydrophobicContact CE2-CG1 4.17Å; R219-V221 PolarHBondContact O-N 3.13Å; V221-N223 PolarHBondContact O-N 3.25Å; V221-F226 HydrophobicContact CG1-CB 3.85Å; V221-F226 HydrophobicContact CG1-CD2 3.97Å; V221-F226 HydrophobicContact CG1-CG 4.27Å; V221-F226 HydrophobicContact CG2-CB 4.37Å
222N96.1Very high94.9Very high8 Ų832.5 Ų32.54%0.04317%0.168CC..  trans-66.4130.9171.7-174.5-84.4000110.5S176 P177 S179 F224 E225 F226S176-N222 PolarHBondContact O-ND2 3.06Å; P177-N222 PolarHBondContact O-ND2 2.94Å; P177-N222 VanDerWaalsContact O-ND2 3.15Å; S179-N222 VanDerWaalsContact O-CA 3.3Å; S179-N222 WeakPolarHBondContact O-CA 3.43Å; S179-N222 PolarHBondContact O-ND2 3.01Å; S179-N222 VanDerWaalsContact O-ND2 3.08Å; S179-N222 PolarHBondContact OG-ND2 3.45Å; S179-N222 VanDerWaalsContact OG-ND2 3.11Å; N222-F224 PolarHBondContact O-N 3.47Å; N222-F224 VanDerWaalsContact O-N 3.11Å; N222-F224 PolarHBondContact OD1-N 2.91Å; N222-F224 VanDerWaalsContact OD1-N 3.09Å; N222-E225 HydrophobicContact CB-CB 4.06Å; N222-E225 HydrophobicContact CB-CG 3.86Å; N222-E225 PolarHBondContact O-N 3.39Å; N222-E225 VanDerWaalsContact O-N 3.07Å; N222-F226 PolarHBondContact O-N 2.79Å
223N93.8Very high95Very high16 Ų1633 Ų339%0.08617%0.174CC..Hα-helixtrans-50.3-40.8-176.8174.588.7000113.5V181 V221 F227 T280V181-N223 HydrophobicContact CG1-CB 4.27Å; V181-N223 HydrophobicContact CG2-CB 3.83Å; V221-N223 PolarHBondContact O-N 3.25Å; N223-F227 WeakPolarHBondContact O-CD2 3.47Å; N223-T280 VanDerWaalsContact CB-O 3.25Å; N223-T280 WeakPolarHBondContact CB-O 3.5Å; N223-T280 WeakPolarHBondContact ND2-CB 3.22Å
224F95.1Very high95.1Very high9 Ų933.1 Ų33.14%0.03918%0.175CC..Hα-helixtrans-77.3-39.8-178.6-59.9-85000111.8F170 V173 Y174 N222 F226 F227 R228 F238F170-F224 HydrophobicContact CE2-CD1 4.27Å; F170-F224 HydrophobicContact CZ-CD1 4.22Å; V173-F224 HydrophobicContact CB-CB 4.1Å; V173-F224 HydrophobicContact CB-CD1 3.81Å; V173-F224 HydrophobicContact CB-CD2 3.96Å; V173-F224 HydrophobicContact CB-CE1 4.22Å; V173-F224 HydrophobicContact CB-CE2 4.38Å; V173-F224 HydrophobicContact CB-CG 3.67Å; V173-F224 HydrophobicContact CB-CZ 4.49Å; V173-F224 HydrophobicContact CG1-CB 3.59Å; V173-F224 HydrophobicContact CG1-CD1 3.6Å; V173-F224 HydrophobicContact CG1-CD2 4.36Å; V173-F224 HydrophobicContact CG1-CE1 4.39Å; V173-F224 HydrophobicContact CG1-CG 3.58Å; Y174-F224 HydrophobicContact CD1-CE1 4.19Å; Y174-F224 AromaticContact CD1-CZ 3.65Å; Y174-F224 HydrophobicContact CD1-CZ 3.65Å; Y174-F224 HydrophobicContact CD2-CE2 4.27Å; Y174-F224 AromaticContact CD2-CZ 3.9Å; Y174-F224 HydrophobicContact CD2-CZ 3.9Å; Y174-F224 AromaticContact CE1-CE1 4Å; Y174-F224 HydrophobicContact CE1-CE1 4Å; Y174-F224 AromaticContact CE1-CZ 3.57Å; Y174-F224 HydrophobicContact CE1-CZ 3.57Å; Y174-F224 HydrophobicContact CE2-CE2 4.42Å; Y174-F224 AromaticContact CE2-CZ 3.81Å; Y174-F224 HydrophobicContact CE2-CZ 3.81Å; Y174-F224 HydrophobicContact CG-CE2 4.37Å; Y174-F224 AromaticContact CG-CZ 3.84Å; Y174-F224 HydrophobicContact CG-CZ 3.84Å; Y174-F224 AromaticContact CZ-CZ 3.68Å; Y174-F224 WeakPolarHBondContact O-CE2 3.4Å; N222-F224 PolarHBondContact O-N 3.47Å; N222-F224 VanDerWaalsContact O-N 3.11Å; N222-F224 PolarHBondContact OD1-N 2.91Å; N222-F224 VanDerWaalsContact OD1-N 3.09Å; F224-F226 VanDerWaalsContact C-N 3.29Å; F224-F226 PolarHBondContact O-N 3.44Å; F224-F227 PolarHBondContact O-N 2.97Å; F224-F227 VanDerWaalsContact O-N 3.12Å; F224-R228 PolarHBondContact O-N 2.98Å; F224-F238 HydrophobicContact CB-CZ 4.02Å; F224-F238 VanDerWaalsContact O-CE2 3.28Å; F224-F238 WeakPolarHBondContact O-CE2 3.31Å; F224-F238 VanDerWaalsContact O-CZ 3.27Å; F224-F238 WeakPolarHBondContact O-CZ 3.39Å
225E95.3Very high95.2Very high67 Ų6732.4 Ų32.431%0.31318%0.182SC..Hα-helixtrans-64.2-34.7176.5-60.9-59.2145.400111.6N222 F227 R228N222-E225 HydrophobicContact CB-CB 4.06Å; N222-E225 HydrophobicContact CB-CG 3.86Å; N222-E225 PolarHBondContact O-N 3.39Å; N222-E225 VanDerWaalsContact O-N 3.07Å; E225-F227 VanDerWaalsContact C-N 3.26Å; E225-F227 PolarHBondContact O-N 2.71Å; E225-R228 VanDerWaalsContact CD-NH2 3.29Å; E225-R228 WeakPolarHBondContact O-CB 3.41Å; E225-R228 PolarHBondContact O-N 3.09Å; E225-R228 IonicContact OE1-NH2 3.85Å; E225-R228 PolarHBondContact OE1-NH2 3.25Å; E225-R228 IonicContact OE2-CZ 3.18Å; E225-R228 IonicContact OE2-NE 3.54Å; E225-R228 PolarHBondContact OE2-NE 3.38Å; E225-R228 IonicContact OE2-NH2 2.74Å; E225-R228 PolarHBondContact OE2-NH2 2.73Å
226F95.7Very high95.1Very high28 Ų2834.8 Ų34.812%0.12319%0.192CC..Hα-helixtrans-54-43.8170.7179.3-104.5000111.7Y150 F183 V221 N222 F224 R228 P229 L304Y150-F226 HydrophobicContact CD1-CE1 4.49Å; Y150-F226 HydrophobicContact CD1-CE2 4.49Å; Y150-F226 AromaticContact CD1-CZ 3.67Å; Y150-F226 HydrophobicContact CD1-CZ 3.67Å; Y150-F226 AromaticContact CD2-CZ 3.98Å; Y150-F226 HydrophobicContact CD2-CZ 3.98Å; Y150-F226 HydrophobicContact CE1-CE2 4.28Å; Y150-F226 AromaticContact CE1-CZ 3.88Å; Y150-F226 HydrophobicContact CE1-CZ 3.88Å; Y150-F226 HydrophobicContact CE2-CZ 4.19Å; Y150-F226 HydrophobicContact CG-CE1 4.32Å; Y150-F226 AromaticContact CG-CZ 3.7Å; Y150-F226 HydrophobicContact CG-CZ 3.7Å; F183-F226 HydrophobicContact CB-CE1 4.26Å; F183-F226 HydrophobicContact CB-CE2 3.91Å; F183-F226 HydrophobicContact CB-CZ 3.77Å; F183-F226 AromaticContact CD1-CD1 3.89Å; F183-F226 HydrophobicContact CD1-CD1 3.89Å; F183-F226 AromaticContact CD1-CE1 3.55Å; F183-F226 HydrophobicContact CD1-CE1 3.55Å; F183-F226 AromaticContact CD1-CZ 3.96Å; F183-F226 HydrophobicContact CD1-CZ 3.96Å; F183-F226 HydrophobicContact CD2-CB 4.07Å; F183-F226 AromaticContact CD2-CD1 3.6Å; F183-F226 HydrophobicContact CD2-CD1 3.6Å; F183-F226 AromaticContact CD2-CD2 3.55Å; F183-F226 HydrophobicContact CD2-CD2 3.55Å; F183-F226 AromaticContact CD2-CE1 3.85Å; F183-F226 HydrophobicContact CD2-CE1 3.85Å; F183-F226 AromaticContact CD2-CE2 3.8Å; F183-F226 HydrophobicContact CD2-CE2 3.8Å; F183-F226 AromaticContact CD2-CG 3.44Å; F183-F226 HydrophobicContact CD2-CG 3.44Å; F183-F226 VanDerWaalsContact CD2-CG 3.44Å; F183-F226 AromaticContact CD2-CZ 3.95Å; F183-F226 HydrophobicContact CD2-CZ 3.95Å; F183-F226 AromaticContact CE1-CD1 3.7Å; F183-F226 HydrophobicContact CE1-CD1 3.7Å; F183-F226 AromaticContact CE1-CE1 3.77Å; F183-F226 HydrophobicContact CE1-CE1 3.77Å; F183-F226 HydrophobicContact CE1-CG 4.48Å; F183-F226 HydrophobicContact CE2-CB 3.54Å; F183-F226 AromaticContact CE2-CD1 3.37Å; F183-F226 HydrophobicContact CE2-CD1 3.37Å; F183-F226 AromaticContact CE2-CD2 3.93Å; F183-F226 HydrophobicContact CE2-CD2 3.93Å; F183-F226 HydrophobicContact CE2-CE1 4.03Å; F183-F226 AromaticContact CE2-CG 3.31Å; F183-F226 HydrophobicContact CE2-CG 3.31Å; F183-F226 AromaticContact CG-CD1 3.85Å; F183-F226 HydrophobicContact CG-CD1 3.85Å; F183-F226 HydrophobicContact CG-CD2 4.1Å; F183-F226 AromaticContact CG-CE1 3.61Å; F183-F226 HydrophobicContact CG-CE1 3.61Å; F183-F226 AromaticContact CG-CE2 3.87Å; F183-F226 HydrophobicContact CG-CE2 3.87Å; F183-F226 HydrophobicContact CG-CG 4.09Å; F183-F226 AromaticContact CG-CZ 3.62Å; F183-F226 HydrophobicContact CG-CZ 3.62Å; F183-F226 HydrophobicContact CZ-CB 4.18Å; F183-F226 AromaticContact CZ-CD1 3.44Å; F183-F226 HydrophobicContact CZ-CD1 3.44Å; F183-F226 VanDerWaalsContact CZ-CD1 3.44Å; F183-F226 HydrophobicContact CZ-CE1 4Å; F183-F226 AromaticContact CZ-CG 3.89Å; F183-F226 HydrophobicContact CZ-CG 3.89Å; V221-F226 HydrophobicContact CG1-CB 3.85Å; V221-F226 HydrophobicContact CG1-CD2 3.97Å; V221-F226 HydrophobicContact CG1-CG 4.27Å; V221-F226 HydrophobicContact CG2-CB 4.37Å; N222-F226 PolarHBondContact O-N 2.79Å; F224-F226 VanDerWaalsContact C-N 3.29Å; F224-F226 PolarHBondContact O-N 3.44Å; F226-R228 VanDerWaalsContact C-N 3.31Å; F226-R228 PolarHBondContact O-N 3.13Å; F226-P229 VanDerWaalsContact O-CD 3.29Å; F226-P229 WeakPolarHBondContact O-CD 3.36Å; F226-L304 HydrophobicContact CD1-CD1 4.28Å; F226-L304 HydrophobicContact CE1-CD1 4.07Å; F226-L304 HydrophobicContact CE1-CD2 4.19Å; F226-L304 HydrophobicContact CE1-CG 4.41Å; F226-L304 HydrophobicContact CZ-CD1 4.3Å; F226-L304 HydrophobicContact CZ-CD2 4.07Å; F226-L304 HydrophobicContact CZ-CG 4.21Å; F226-L304 WeakPolarHBondContact O-CD1 3.29Å
227F95.2Very high95Very high19 Ų1939.6 Ų39.68%0.08322%0.223CC..THydrogen-bonded Turntrans-81.3-0.5178.2-65.9-62.6000114.7L158 I161 F183 N223 F224 E225 L230 V231 L304L158-F227 HydrophobicContact CD2-CD1 4.41Å; L158-F227 HydrophobicContact CD2-CE1 3.54Å; L158-F227 HydrophobicContact CD2-CZ 4.27Å; I161-F227 HydrophobicContact CD1-CD1 4.32Å; I161-F227 HydrophobicContact CD1-CD2 4.32Å; I161-F227 HydrophobicContact CD1-CE1 3.93Å; I161-F227 HydrophobicContact CD1-CE2 3.93Å; I161-F227 HydrophobicContact CD1-CZ 3.72Å; F183-F227 HydrophobicContact CE1-CE2 4.27Å; F183-F227 AromaticContact CE1-CZ 3.94Å; F183-F227 HydrophobicContact CE1-CZ 3.94Å; F183-F227 HydrophobicContact CZ-CE2 4.06Å; F183-F227 HydrophobicContact CZ-CZ 4.17Å; N223-F227 WeakPolarHBondContact O-CD2 3.47Å; F224-F227 PolarHBondContact O-N 2.97Å; F224-F227 VanDerWaalsContact O-N 3.12Å; E225-F227 VanDerWaalsContact C-N 3.26Å; E225-F227 PolarHBondContact O-N 2.71Å; F227-L230 HydrophobicContact CD1-CD2 4.18Å; F227-L230 WeakPolarHBondContact O-CB 3.27Å; F227-L230 PolarHBondContact O-N 2.98Å; F227-L230 VanDerWaalsContact O-N 3.16Å; F227-V231 WeakPolarHBondContact O-CG2 3.47Å; F227-V231 PolarHBondContact O-N 3.22Å; F227-V231 VanDerWaalsContact O-N 3.1Å; F227-L304 HydrophobicContact CD1-CD1 4.25Å
228R96Very high94.9Very high74 Ų7439.9 Ų39.928%0.27922%0.224SC..Hα-helixtrans-55.8-49178.7177.3-174.2-63.8-78.1-2.3113.1F224 E225 F226 L230 V231 E232 F238F224-R228 PolarHBondContact O-N 2.98Å; E225-R228 VanDerWaalsContact CD-NH2 3.29Å; E225-R228 WeakPolarHBondContact O-CB 3.41Å; E225-R228 PolarHBondContact O-N 3.09Å; E225-R228 IonicContact OE1-NH2 3.85Å; E225-R228 PolarHBondContact OE1-NH2 3.25Å; E225-R228 IonicContact OE2-CZ 3.18Å; E225-R228 IonicContact OE2-NE 3.54Å; E225-R228 PolarHBondContact OE2-NE 3.38Å; E225-R228 IonicContact OE2-NH2 2.74Å; E225-R228 PolarHBondContact OE2-NH2 2.73Å; F226-R228 VanDerWaalsContact C-N 3.31Å; F226-R228 PolarHBondContact O-N 3.13Å; R228-L230 PolarHBondContact O-N 3.14Å; R228-V231 PolarHBondContact O-N 2.84Å; R228-V231 VanDerWaalsContact O-N 3.15Å; R228-E232 HydrophobicContact CG-CG 4.13Å; R228-E232 VanDerWaalsContact CG-OE1 3.31Å; R228-E232 WeakPolarHBondContact CG-OE1 3.31Å; R228-E232 WeakPolarHBondContact CG-OE2 3.31Å; R228-E232 IonicContact CZ-OE1 3.04Å; R228-E232 IonicContact NH1-OE1 2.77Å; R228-E232 PolarHBondContact NH1-OE1 3.19Å; R228-E232 PolarHBondContact O-N 3.42Å; R228-F238 HydrophobicContact CB-CD2 3.84Å; R228-F238 HydrophobicContact CB-CE2 3.74Å; R228-F238 HydrophobicContact CB-CZ 4.35Å; R228-F238 HydrophobicContact CG-CD2 3.96Å; R228-F238 HydrophobicContact CG-CE2 4.33Å; R228-F238 HydrophobicContact CG-CG 4.25Å; R228-F238 VanDerWaalsContact CZ-CD1 3.46Å; R228-F238 VanDerWaalsContact NH1-CD1 3.33Å; R228-F238 VanDerWaalsContact NH2-CD1 3.29Å; R228-F238 VanDerWaalsContact NH2-CE1 3.31Å
229P96.2Very high94.9Very high55 Ų5539 Ų3936%0.35721%0.213SC..Hα-helixtrans-62.1-30.6179.2-21.334.3000112.6F226 G233 L304 V308F226-P229 VanDerWaalsContact O-CD 3.29Å; F226-P229 WeakPolarHBondContact O-CD 3.36Å; P229-G233 WeakPolarHBondContact O-CA 3.23Å; P229-G233 PolarHBondContact O-N 3.35Å; P229-L304 HydrophobicContact CB-CB 4.29Å; P229-V308 WeakPolarHBondContact O-CG2 3.14Å
230L96Very high94.8Very high0 Ų044 Ų440%024%0.237CC..Hα-helixtrans-67.3-46.5174.2-179.962.3000112I161 V162 F227 R228 L234 L304 V307 V308 F311I161-L230 HydrophobicContact CG2-CD2 4.38Å; V162-L230 HydrophobicContact CG2-CD1 4.36Å; V162-L230 HydrophobicContact CG2-CD2 4.24Å; F227-L230 HydrophobicContact CD1-CD2 4.18Å; F227-L230 WeakPolarHBondContact O-CB 3.27Å; F227-L230 PolarHBondContact O-N 2.98Å; F227-L230 VanDerWaalsContact O-N 3.16Å; R228-L230 PolarHBondContact O-N 3.14Å; L230-L234 HydrophobicContact CD1-CD1 3.81Å; L230-L234 HydrophobicContact CD1-CG 4.27Å; L230-L234 HydrophobicContact CG-CD1 4.22Å; L230-L234 WeakPolarHBondContact O-CB 3.38Å; L230-L234 WeakPolarHBondContact O-CD1 3.39Å; L230-L234 WeakPolarHBondContact O-CG 3.39Å; L230-L234 PolarHBondContact O-N 3.34Å; L230-L234 VanDerWaalsContact O-N 3.1Å; L230-L304 HydrophobicContact CB-CD1 4.08Å; L230-V307 HydrophobicContact CD1-CG1 4.06Å; L230-V308 HydrophobicContact CD1-CG2 3.92Å; L230-F311 HydrophobicContact CD1-CD2 4.14Å
231V95.5Very high94.9Very high1 Ų146.9 Ų46.91%0.00625%0.249CC..Hα-helixtrans-65.1-52.2-179.5178.70000111I165 F170 F227 R228 L234 Y236 F238I165-V231 HydrophobicContact CD1-CB 4.35Å; I165-V231 HydrophobicContact CD1-CG2 3.59Å; I165-V231 HydrophobicContact CG1-CG2 4.13Å; F170-V231 HydrophobicContact CD1-CG2 4.13Å; F170-V231 HydrophobicContact CE1-CG2 3.7Å; F227-V231 WeakPolarHBondContact O-CG2 3.47Å; F227-V231 PolarHBondContact O-N 3.22Å; F227-V231 VanDerWaalsContact O-N 3.1Å; R228-V231 PolarHBondContact O-N 2.84Å; R228-V231 VanDerWaalsContact O-N 3.15Å; V231-L234 PolarHBondContact O-N 3.29Å; V231-Y236 PolarHBondContact O-N 2.9Å; V231-Y236 VanDerWaalsContact O-N 3.09Å; V231-F238 HydrophobicContact CB-CD2 4.05Å; V231-F238 HydrophobicContact CG1-CD2 4.26Å; V231-F238 HydrophobicContact CG2-CD2 4.05Å; V231-F238 HydrophobicContact CG2-CE2 4.36Å
232E96Very high94.8Very high91 Ų9149.6 Ų49.643%0.42526%0.255SS..Hα-helixtrans-72.5-39-176.4-66.2175.8179.600110.8R228 L234 G235 Y236 F238R228-E232 HydrophobicContact CG-CG 4.13Å; R228-E232 VanDerWaalsContact CG-OE1 3.31Å; R228-E232 WeakPolarHBondContact CG-OE1 3.31Å; R228-E232 WeakPolarHBondContact CG-OE2 3.31Å; R228-E232 IonicContact CZ-OE1 3.04Å; R228-E232 IonicContact NH1-OE1 2.77Å; R228-E232 PolarHBondContact NH1-OE1 3.19Å; R228-E232 PolarHBondContact O-N 3.42Å; E232-L234 VanDerWaalsContact C-N 3.31Å; E232-L234 PolarHBondContact O-N 3.5Å; E232-G235 WeakPolarHBondContact O-CA 3.4Å; E232-G235 PolarHBondContact O-N 3.09Å; E232-Y236 WeakPolarHBondContact CA-O 3.48Å; E232-F238 HydrophobicContact CG-CB 4.1Å; E232-F238 VanDerWaalsContact OE1-CB 3.27Å; E232-F238 WeakPolarHBondContact OE1-CB 3.21Å
233G95.4Very high94.8Very high27 Ų2752.9 Ų52.928%0.27827%0.269SS..Hα-helixtrans-63.1-31.7174.900000113.7P229 G235 K312P229-G233 WeakPolarHBondContact O-CA 3.23Å; P229-G233 PolarHBondContact O-N 3.35Å; G233-G235 PolarHBondContact O-N 2.87Å; G233-K312 WeakPolarHBondContact O-CE 3.37Å; G233-K312 PolarHBondContact O-NZ 2.86Å
234L95.6Very high94.8Very high4 Ų455.9 Ų55.92%0.02129%0.289CS..THydrogen-bonded Turntrans-78.50170-71.2173.4000113.7V162 L230 V231 E232 Y236 F311 K312 H316 G317 K318V162-L234 HydrophobicContact CB-CD1 4.5Å; V162-L234 HydrophobicContact CG1-CD1 4.08Å; V162-L234 HydrophobicContact CG2-CD1 3.78Å; L230-L234 HydrophobicContact CD1-CD1 3.81Å; L230-L234 HydrophobicContact CD1-CG 4.27Å; L230-L234 HydrophobicContact CG-CD1 4.22Å; L230-L234 WeakPolarHBondContact O-CB 3.38Å; L230-L234 WeakPolarHBondContact O-CD1 3.39Å; L230-L234 WeakPolarHBondContact O-CG 3.39Å; L230-L234 PolarHBondContact O-N 3.34Å; L230-L234 VanDerWaalsContact O-N 3.1Å; V231-L234 PolarHBondContact O-N 3.29Å; E232-L234 VanDerWaalsContact C-N 3.31Å; E232-L234 PolarHBondContact O-N 3.5Å; L234-Y236 HydrophobicContact CB-CD2 3.95Å; L234-Y236 HydrophobicContact CB-CE2 4.3Å; L234-Y236 WeakPolarHBondContact O-CD2 3.49Å; L234-F311 HydrophobicContact CD2-CB 4.02Å; L234-K312 HydrophobicContact CD2-CG 4.19Å; L234-H316 HydrophobicContact CD2-CB 4.5Å; L234-G317 WeakPolarHBondContact O-CA 3.47Å; L234-K318 PolarHBondContact O-N 2.95Å
235G94.6Very high94.7Very high39 Ų3958 Ų5840%0.40230%0.3SS..THydrogen-bonded Turntrans86.315.6175.400000115E232 G233 K318E232-G235 WeakPolarHBondContact O-CA 3.4Å; E232-G235 PolarHBondContact O-N 3.09Å; G233-G235 PolarHBondContact O-N 2.87Å; G235-K318 WeakPolarHBondContact O-CD 3.42Å
236Y94.3Very high94.6Very high51 Ų5158.8 Ų58.820%0.231%0.314CS..PPolyproline II helixtrans-102.5147.2178.2-65.8-90.9000111.2I165 E166 V231 E232 L234 K318I165-Y236 HydrophobicContact CG2-CD1 3.99Å; I165-Y236 HydrophobicContact CG2-CD2 3.39Å; I165-Y236 HydrophobicContact CG2-CE2 4.01Å; I165-Y236 HydrophobicContact CG2-CG 3.38Å; E166-Y236 HydrophobicContact CG-CE2 4.13Å; V231-Y236 PolarHBondContact O-N 2.9Å; V231-Y236 VanDerWaalsContact O-N 3.09Å; E232-Y236 WeakPolarHBondContact CA-O 3.48Å; L234-Y236 HydrophobicContact CB-CD2 3.95Å; L234-Y236 HydrophobicContact CB-CE2 4.3Å; L234-Y236 WeakPolarHBondContact O-CD2 3.49Å; Y236-K318 HydrophobicContact CD2-CB 4.35Å; Y236-K318 HydrophobicContact CE1-CB 4.35Å; Y236-K318 HydrophobicContact CE2-CB 3.95Å
237P93Very high94.5Very high104 Ų10461.7 Ų61.768%0.67533%0.33SS*.PPolyproline II helixtrans-73.1135176.530.7-33.8000110.5
238F95Very high94.4Very high18 Ų1861.3 Ų61.38%0.07933%0.329CS..PPolyproline II helixtrans-69.8139.6175.1-167-93.9000112F170 V173 F224 R228 V231 E232F170-F238 HydrophobicContact CE1-CE2 4.38Å; V173-F238 HydrophobicContact CG1-CE1 4.07Å; V173-F238 HydrophobicContact CG1-CZ 4.14Å; F224-F238 HydrophobicContact CB-CZ 4.02Å; F224-F238 VanDerWaalsContact O-CE2 3.28Å; F224-F238 WeakPolarHBondContact O-CE2 3.31Å; F224-F238 VanDerWaalsContact O-CZ 3.27Å; F224-F238 WeakPolarHBondContact O-CZ 3.39Å; R228-F238 HydrophobicContact CB-CD2 3.84Å; R228-F238 HydrophobicContact CB-CE2 3.74Å; R228-F238 HydrophobicContact CB-CZ 4.35Å; R228-F238 HydrophobicContact CG-CD2 3.96Å; R228-F238 HydrophobicContact CG-CE2 4.33Å; R228-F238 HydrophobicContact CG-CG 4.25Å; R228-F238 VanDerWaalsContact CZ-CD1 3.46Å; R228-F238 VanDerWaalsContact NH1-CD1 3.33Å; R228-F238 VanDerWaalsContact NH2-CD1 3.29Å; R228-F238 VanDerWaalsContact NH2-CE1 3.31Å; V231-F238 HydrophobicContact CB-CD2 4.05Å; V231-F238 HydrophobicContact CG1-CD2 4.26Å; V231-F238 HydrophobicContact CG2-CD2 4.05Å; V231-F238 HydrophobicContact CG2-CE2 4.36Å; E232-F238 HydrophobicContact CG-CB 4.1Å; E232-F238 VanDerWaalsContact OE1-CB 3.27Å; E232-F238 WeakPolarHBondContact OE1-CB 3.21Å
239P92.7Very high94Very high14 Ų1462.5 Ų62.59%0.09133%0.334CS..PPolyproline II helixtrans-59.7139.7179.3-28.337.5000114.7F170 V173F170-P239 HydrophobicContact CD1-CG 3.56Å; F170-P239 VanDerWaalsContact CE1-CD 3.47Å; F170-P239 HydrophobicContact CE1-CG 3.52Å; F170-P239 HydrophobicContact CG-CG 4.33Å; F170-P239 HydrophobicContact CZ-CG 4.26Å; F170-P239 WeakPolarHBondContact O-CG 3.45Å; V173-P239 HydrophobicContact CG1-CB 4.27Å
240K91.4Very high93.7Very high206 Ų20664.3 Ų64.390%0.89634%0.34SS*.  trans-105.2-20.9175.2-60.9-173.4179.9-174.70114
241L94.1Very high93.5Very high112 Ų11269.2 Ų69.259%0.58636%0.362SS*.EExtended strand (participates in β ladder)trans-77.4131.3178.3-65174.5000110F172 V173F172-L241 CarbonylContact C-O 3.56Å; F172-L241 VanDerWaalsContact CA-O 3.29Å; F172-L241 WeakPolarHBondContact CA-O 3.16Å; F172-L241 HydrophobicContact CB-CB 4.16Å; V173-L241 PolarHBondContact N-O 3.29Å
242R94.4Very high93Very high99 Ų9969.2 Ų69.237%0.37436%0.361SS..EExtended strand (participates in β ladder)trans-122.7128175.9178.1172.8-91.3122.1-1.2110V173 G175V173-R242 HydrophobicContact CG2-CB 3.74Å; V173-R242 HydrophobicContact CG2-CG 4Å; V173-R242 VanDerWaalsContact O-CA 3.31Å; V173-R242 WeakPolarHBondContact O-CA 3.24Å; G175-R242 VanDerWaalsContact O-CD 3.26Å; G175-R242 WeakPolarHBondContact O-CD 3.46Å; G175-R242 PolarHBondContact O-NE 3.14Å
243F95.3Very high92.5Very high76 Ų7668.9 Ų68.933%0.33336%0.359SS..EExtended strand (participates in β ladder)trans-107151.9177.4-69.8-73000113F172 V173 Y174 G175 L247 I248F172-F243 HydrophobicContact CB-CD2 3.69Å; F172-F243 HydrophobicContact CB-CE2 3.65Å; F172-F243 HydrophobicContact CD1-CD2 4.42Å; F172-F243 HydrophobicContact CD1-CE2 4.15Å; F172-F243 AromaticContact CD2-CD2 3.7Å; F172-F243 HydrophobicContact CD2-CD2 3.7Å; F172-F243 HydrophobicContact CD2-CE2 4.24Å; F172-F243 HydrophobicContact CE2-CD2 4.44Å; F172-F243 AromaticContact CG-CD2 3.69Å; F172-F243 HydrophobicContact CG-CD2 3.69Å; F172-F243 AromaticContact CG-CE2 3.76Å; F172-F243 HydrophobicContact CG-CE2 3.76Å; V173-F243 PolarHBondContact O-N 2.88Å; Y174-F243 WeakPolarHBondContact CA-O 3.47Å; Y174-F243 WeakPolarHBondContact CB-O 3.2Å; G175-F243 PolarHBondContact N-O 2.85Å; G175-F243 VanDerWaalsContact N-O 3.1Å; F243-L247 HydrophobicContact CD1-CD2 3.86Å; F243-L247 HydrophobicContact CG-CD2 4.45Å; F243-I248 HydrophobicContact CB-CD1 3.84Å; F243-I248 HydrophobicContact CB-CG1 3.94Å; F243-I248 HydrophobicContact CD2-CD1 4.31Å; F243-I248 HydrophobicContact CG-CD1 4.25Å
244P94.6Very high92.2Very high79 Ų7971.4 Ų71.451%0.51337%0.365SS..  trans-58.2140.4169.9-22.734000111.7S246 L247 I248P244-S246 VanDerWaalsContact C-N 3.25Å; P244-S246 PolarHBondContact O-N 2.92Å; P244-L247 PolarHBondContact O-N 2.84Å; P244-I248 PolarHBondContact O-N 3.43Å
245I91.6Very high91.7Very high53 Ų5372.1 Ų72.127%0.27237%0.37SS..Hα-helixtrans-61.1-34.4-179.3-167.1174.2000112.4L247 I248 Y249 V277 V282I245-L247 PolarHBondContact O-N 2.91Å; I245-I248 PolarHBondContact O-N 3.2Å; I245-Y249 VanDerWaalsContact O-CB 3.24Å; I245-Y249 WeakPolarHBondContact O-CB 3.43Å; I245-Y249 PolarHBondContact O-N 3.3Å; I245-V277 HydrophobicContact CD1-CG1 4.42Å; I245-V277 HydrophobicContact CG1-CG1 3.77Å; I245-V282 HydrophobicContact CD1-CG2 3.62Å
246S93Very high91Very high85 Ų8571.3 Ų71.359%0.59436%0.356SS*.Hα-helixtrans-59.8-41.3177.6490000112.9P244 Y249 L250P244-S246 VanDerWaalsContact C-N 3.25Å; P244-S246 PolarHBondContact O-N 2.92Å; S246-Y249 PolarHBondContact O-N 3.41Å; S246-L250 WeakPolarHBondContact O-CB 3.36Å; S246-L250 PolarHBondContact O-N 3.43Å
247L94.4Very high90.6Very high88 Ų8872.6 Ų72.646%0.46137%0.366SS..Hα-helixtrans-65.1-45.5177.3178.862.6000111.3F243 P244 I245 Y249 L250 F251F243-L247 HydrophobicContact CD1-CD2 3.86Å; F243-L247 HydrophobicContact CG-CD2 4.45Å; P244-L247 PolarHBondContact O-N 2.84Å; I245-L247 PolarHBondContact O-N 2.91Å; L247-Y249 VanDerWaalsContact C-N 3.35Å; L247-L250 PolarHBondContact O-N 3.23Å; L247-F251 PolarHBondContact O-N 2.84Å
248I94Very high90.1Very high11 Ų1171.4 Ų71.46%0.05635%0.353CS..Hα-helixtrans-70.7-33.4179-55.5-51.8000111.3F172 Y174 F243 P244 I245 F251 A252 L272 V277F172-I248 HydrophobicContact CD2-CD1 4.36Å; F172-I248 HydrophobicContact CE2-CD1 3.73Å; F172-I248 HydrophobicContact CE2-CG1 4.35Å; F172-I248 HydrophobicContact CZ-CD1 4.31Å; Y174-I248 HydrophobicContact CD1-CB 4.43Å; Y174-I248 HydrophobicContact CD1-CG1 4.07Å; Y174-I248 HydrophobicContact CD1-CG2 3.91Å; Y174-I248 HydrophobicContact CD2-CG2 4.37Å; Y174-I248 HydrophobicContact CE1-CG2 3.93Å; Y174-I248 HydrophobicContact CE2-CG2 4.4Å; Y174-I248 HydrophobicContact CG-CB 4.23Å; Y174-I248 HydrophobicContact CG-CG1 3.9Å; Y174-I248 HydrophobicContact CG-CG2 4.12Å; F243-I248 HydrophobicContact CB-CD1 3.84Å; F243-I248 HydrophobicContact CB-CG1 3.94Å; F243-I248 HydrophobicContact CD2-CD1 4.31Å; F243-I248 HydrophobicContact CG-CD1 4.25Å; P244-I248 PolarHBondContact O-N 3.43Å; I245-I248 PolarHBondContact O-N 3.2Å; I248-F251 PolarHBondContact O-N 2.91Å; I248-A252 WeakPolarHBondContact O-CB 3.35Å; I248-A252 PolarHBondContact O-N 3.1Å; I248-L272 HydrophobicContact CG2-CD1 4.1Å; I248-V277 HydrophobicContact CB-CG1 4.31Å; I248-V277 HydrophobicContact CG2-CG1 4.09Å; I248-V277 HydrophobicContact CG2-CG2 3.72Å
249Y86.6Confident89.5Confident99 Ų9972.5 Ų72.539%0.38836%0.358SS..Hα-helixtrans-66.3-39.6174.5-170.1-85.2000111.9I245 S246 L247 A252 F253 R274 V277I245-Y249 VanDerWaalsContact O-CB 3.24Å; I245-Y249 WeakPolarHBondContact O-CB 3.43Å; I245-Y249 PolarHBondContact O-N 3.3Å; S246-Y249 PolarHBondContact O-N 3.41Å; L247-Y249 VanDerWaalsContact C-N 3.35Å; Y249-A252 PolarHBondContact O-N 2.6Å; Y249-F253 WeakPolarHBondContact O-CB 3.16Å; Y249-F253 PolarHBondContact O-N 3.23Å; Y249-R274 HydrophobicContact CD1-CG 4.34Å; Y249-R274 HydrophobicContact CD2-CB 4.19Å; Y249-R274 HydrophobicContact CD2-CG 4.21Å; Y249-R274 HydrophobicContact CE1-CG 4.06Å; Y249-R274 HydrophobicContact CE2-CB 3.68Å; Y249-R274 HydrophobicContact CE2-CG 3.94Å; Y249-R274 HydrophobicContact CG-CG 4.41Å; Y249-V277 HydrophobicContact CD2-CG1 4.38Å
250L91Very high88.9Confident94 Ų9478.9 Ų78.949%0.49239%0.387SS..Hα-helixtrans-64.3-42.5172.2178.961.3000111.6S246 L247 F253 L254S246-L250 WeakPolarHBondContact O-CB 3.36Å; S246-L250 PolarHBondContact O-N 3.43Å; L247-L250 PolarHBondContact O-N 3.23Å; L250-F253 HydrophobicContact CD1-CD1 4.42Å; L250-F253 WeakPolarHBondContact O-CB 3.43Å; L250-F253 PolarHBondContact O-N 3.28Å; L250-L254 HydrophobicContact CD1-CD1 4.44Å; L250-L254 HydrophobicContact CD1-CG 4.39Å; L250-L254 HydrophobicContact CG-CD1 4.31Å; L250-L254 WeakPolarHBondContact O-CG 3.4Å; L250-L254 PolarHBondContact O-N 2.91Å
251F90.4Very high88.5Confident103 Ų10374.4 Ų74.445%0.45237%0.372SS..Hα-helixtrans-62.3-42.6174.4-179.7-97.6000112.4L247 I248 L254 T255L247-F251 PolarHBondContact O-N 2.84Å; I248-F251 PolarHBondContact O-N 2.91Å; F251-L254 PolarHBondContact O-N 3.27Å; F251-T255 HydrophobicContact CD1-CG2 4.35Å; F251-T255 HydrophobicContact CE1-CG2 3.86Å; F251-T255 HydrophobicContact CE2-CG2 4.11Å; F251-T255 HydrophobicContact CZ-CG2 3.73Å; F251-T255 WeakPolarHBondContact O-CG2 3.39Å; F251-T255 PolarHBondContact O-N 3.09Å; F251-T255 PolarHBondContact O-OG1 3.27Å
252A86.3Confident88Confident0 Ų072.9 Ų72.90%036%0.363CS..Hα-helixtrans-62.8-40.417400000112.3I248 Y249 T255 E256 R274 V277I248-A252 WeakPolarHBondContact O-CB 3.35Å; I248-A252 PolarHBondContact O-N 3.1Å; Y249-A252 PolarHBondContact O-N 2.6Å; A252-T255 WeakPolarHBondContact CA-OG1 3.47Å; A252-T255 PolarHBondContact O-N 2.88Å; A252-T255 PolarHBondContact O-OG1 2.86Å; A252-E256 WeakPolarHBondContact O-CB 3.23Å; A252-E256 WeakPolarHBondContact O-CG 3.4Å; A252-E256 PolarHBondContact O-N 3Å; A252-R274 HydrophobicContact CB-CG 3.94Å; A252-V277 HydrophobicContact CB-CG2 3.85Å
253F85.3Confident87.2Confident84 Ų8469.1 Ų69.137%0.36836%0.356SS..Hα-helixtrans-58.4-49.8172.7176-108.4000112.2Y249 L250 E256 L257 R274Y249-F253 WeakPolarHBondContact O-CB 3.16Å; Y249-F253 PolarHBondContact O-N 3.23Å; L250-F253 HydrophobicContact CD1-CD1 4.42Å; L250-F253 WeakPolarHBondContact O-CB 3.43Å; L250-F253 PolarHBondContact O-N 3.28Å; F253-E256 PolarHBondContact O-N 3.41Å; F253-L257 WeakPolarHBondContact O-CB 3.35Å; F253-L257 PolarHBondContact O-N 3.24Å; F253-R274 HydrophobicContact CB-CG 4.32Å
254L88.4Confident86.6Confident80 Ų8070.4 Ų70.442%0.41937%0.372SS..Hα-helixtrans-64.5-41.7-179-68.2172.3000111.5L250 F251 L257 I258L250-L254 HydrophobicContact CD1-CD1 4.44Å; L250-L254 HydrophobicContact CD1-CG 4.39Å; L250-L254 HydrophobicContact CG-CD1 4.31Å; L250-L254 WeakPolarHBondContact O-CG 3.4Å; L250-L254 PolarHBondContact O-N 2.91Å; F251-L254 PolarHBondContact O-N 3.27Å; L254-L257 PolarHBondContact O-N 2.89Å; L254-I258 WeakPolarHBondContact O-CD1 3.21Å; L254-I258 WeakPolarHBondContact O-CG1 3.34Å; L254-I258 PolarHBondContact O-N 3.01Å
255T84.8Confident86Confident19 Ų1975.5 Ų75.512%0.11739%0.386CS..Hα-helixtrans-70.3-32.7177.252.30000113.5F251 A252 H259F251-T255 HydrophobicContact CD1-CG2 4.35Å; F251-T255 HydrophobicContact CE1-CG2 3.86Å; F251-T255 HydrophobicContact CE2-CG2 4.11Å; F251-T255 HydrophobicContact CZ-CG2 3.73Å; F251-T255 WeakPolarHBondContact O-CG2 3.39Å; F251-T255 PolarHBondContact O-N 3.09Å; F251-T255 PolarHBondContact O-OG1 3.27Å; A252-T255 WeakPolarHBondContact CA-OG1 3.47Å; A252-T255 PolarHBondContact O-N 2.88Å; A252-T255 PolarHBondContact O-OG1 2.86Å; T255-H259 VanDerWaalsContact O-CB 3.32Å; T255-H259 WeakPolarHBondContact O-CB 3.49Å; T255-H259 PolarHBondContact O-N 3.14Å
256E81.1Confident85.1Confident23 Ų2380.5 Ų80.511%0.10740%0.403CS..Hα-helixtrans-63.5-42.8167.9-79.7178.3-164.600112.1L88 A252 F253 H259 H260 T273 R274L88-E256 HydrophobicContact CD2-CG 4.01Å; A252-E256 WeakPolarHBondContact O-CB 3.23Å; A252-E256 WeakPolarHBondContact O-CG 3.4Å; A252-E256 PolarHBondContact O-N 3Å; F253-E256 PolarHBondContact O-N 3.41Å; E256-H259 PolarHBondContact O-N 2.97Å; E256-H260 PolarHBondContact O-N 3.1Å; E256-T273 WeakPolarHBondContact OE1-CA 3.28Å; E256-T273 VanDerWaalsContact OE1-CB 3.3Å; E256-T273 WeakPolarHBondContact OE1-CB 3.42Å; E256-R274 PolarHBondContact OE1-N 3.24Å; E256-R274 IonicContact OE1-NE 3.65Å; E256-R274 IonicContact OE2-CZ 3.29Å; E256-R274 IonicContact OE2-NE 3.95Å; E256-R274 PolarHBondContact OE2-NE 3.29Å; E256-R274 IonicContact OE2-NH2 2.95Å; E256-R274 PolarHBondContact OE2-NH2 2.61Å
257L84.6Confident84Confident78 Ų7882.4 Ų82.441%0.40841%0.406SS..Hα-helixtrans-63.8-46.1177.4178.862.2000111.7F253 L254 H259 H260 L261F253-L257 WeakPolarHBondContact O-CB 3.35Å; F253-L257 PolarHBondContact O-N 3.24Å; L254-L257 PolarHBondContact O-N 2.89Å; L257-H259 VanDerWaalsContact C-N 3.28Å; L257-H259 PolarHBondContact O-N 3.38Å; L257-H260 WeakPolarHBondContact O-CB 3.14Å; L257-H260 PolarHBondContact O-N 2.87Å; L257-L261 HydrophobicContact CD1-CD1 4.32Å; L257-L261 HydrophobicContact CG-CD1 4.28Å; L257-L261 WeakPolarHBondContact O-CG 3.24Å; L257-L261 PolarHBondContact O-N 2.86Å
258I83.9Confident83.2Confident79 Ų7980.6 Ų80.641%0.40540%0.395SS..Hα-helixtrans-61.9-38.5175-63.3162.9000110.3L254 L261 I262 F268L254-I258 WeakPolarHBondContact O-CD1 3.21Å; L254-I258 WeakPolarHBondContact O-CG1 3.34Å; L254-I258 PolarHBondContact O-N 3.01Å; I258-L261 PolarHBondContact O-N 3.01Å; I258-I262 HydrophobicContact CG2-CD1 3.63Å; I258-I262 HydrophobicContact CG2-CG1 4.15Å; I258-I262 WeakPolarHBondContact O-CB 3.3Å; I258-I262 WeakPolarHBondContact O-CG1 3.36Å; I258-I262 PolarHBondContact O-N 3.4Å; I258-F268 HydrophobicContact CB-CZ 4.17Å; I258-F268 HydrophobicContact CG2-CE1 4.08Å; I258-F268 HydrophobicContact CG2-CZ 3.69Å
259H81.5Confident82Confident41 Ų4183.9 Ų83.919%0.1941%0.41CS..Hα-helixtrans-66.8-37.2175.5178.882.3000112.2L88 T255 E256 L257 L261 G263 F268 P270L88-H259 WeakPolarHBondContact CD1-CD2 3.43Å; T255-H259 VanDerWaalsContact O-CB 3.32Å; T255-H259 WeakPolarHBondContact O-CB 3.49Å; T255-H259 PolarHBondContact O-N 3.14Å; E256-H259 PolarHBondContact O-N 2.97Å; L257-H259 VanDerWaalsContact C-N 3.28Å; L257-H259 PolarHBondContact O-N 3.38Å; H259-L261 VanDerWaalsContact C-N 3.34Å; H259-L261 PolarHBondContact O-N 3.32Å; H259-G263 WeakPolarHBondContact O-CA 3.21Å; H259-G263 PolarHBondContact O-N 3.36Å; H259-F268 VanDerWaalsContact CA-CZ 3.48Å; H259-F268 HydrophobicContact CB-CE1 4.12Å; H259-F268 HydrophobicContact CB-CE2 4.31Å; H259-F268 HydrophobicContact CB-CZ 3.71Å; H259-F268 PolarHBondContact CE1-O 2.82Å; H259-F268 PolarHBondContact ND1-O 3.08Å; H259-P270 HydrophobicContact CB-CG 3.75Å
260H80.8Confident81.6Confident148 Ų14879.4 Ų79.469%0.68539%0.393SS*.Hα-helixtrans-64.4-39.1175.3-172.360.6000112.4E256 L257E256-H260 PolarHBondContact O-N 3.1Å; L257-H260 WeakPolarHBondContact O-CB 3.14Å; L257-H260 PolarHBondContact O-N 2.87Å
261L83.5Confident80.9Confident111 Ų11177 Ų7758%0.58138%0.38SS*.Hα-helixtrans-78.9-43.7-178.5-65.9171.9000113.6L257 I258 H259L257-L261 HydrophobicContact CD1-CD1 4.32Å; L257-L261 HydrophobicContact CG-CD1 4.28Å; L257-L261 WeakPolarHBondContact O-CG 3.24Å; L257-L261 PolarHBondContact O-N 2.86Å; I258-L261 PolarHBondContact O-N 3.01Å; H259-L261 VanDerWaalsContact C-N 3.34Å; H259-L261 PolarHBondContact O-N 3.32Å
262I82.5Confident80.4Confident80 Ų8073.3 Ų73.341%0.4137%0.365SS..Hα-helixtrans-102-22.6-171.5-46.2-176.4000111.9I258 P264 F265 Y266 F268I258-I262 HydrophobicContact CG2-CD1 3.63Å; I258-I262 HydrophobicContact CG2-CG1 4.15Å; I258-I262 WeakPolarHBondContact O-CB 3.3Å; I258-I262 WeakPolarHBondContact O-CG1 3.36Å; I258-I262 PolarHBondContact O-N 3.4Å; I262-P264 VanDerWaalsContact C-N 3.31Å; I262-P264 VanDerWaalsContact O-N 3.16Å; I262-F265 CarbonylContact O-C 3.53Å; I262-F265 WeakPolarHBondContact O-CA 3.47Å; I262-F265 PolarHBondContact O-N 3.07Å; I262-Y266 PolarHBondContact O-N 3.34Å; I262-F268 HydrophobicContact CB-CE1 4.32Å
263G77.7Confident80.1Confident21 Ų2173.4 Ų73.422%0.21637%0.366CS..THydrogen-bonded Turntrans-50.1-36.4179.800000116.2H259 F265 Y266H259-G263 WeakPolarHBondContact O-CA 3.21Å; H259-G263 PolarHBondContact O-N 3.36Å; G263-F265 PolarHBondContact O-N 3.44Å; G263-Y266 WeakPolarHBondContact CA-O 3.33Å
264P82.5Confident80Confident103 Ų10373.4 Ų73.467%0.66936%0.363SS*.THydrogen-bonded Turntrans-62.7-25173-25.236000114.7I262I262-P264 VanDerWaalsContact C-N 3.31Å; I262-P264 VanDerWaalsContact O-N 3.16Å
265F81.3Confident79.2Confident185 Ų18572.8 Ų72.881%0.81136%0.363SS*.THydrogen-bonded Turntrans-108.5-25.4-176-53.6-75.3000113.1I262 G263I262-F265 CarbonylContact O-C 3.53Å; I262-F265 WeakPolarHBondContact O-CA 3.47Å; I262-F265 PolarHBondContact O-N 3.07Å; G263-F265 PolarHBondContact O-N 3.44Å
266Y73.8Confident79Confident159 Ų15972.4 Ų72.462%0.62436%0.36SS*.SBendtrans-142.8113.3179.6-174.3-113.9000110.9I262 G263 F268I262-Y266 PolarHBondContact O-N 3.34Å; G263-Y266 WeakPolarHBondContact CA-O 3.33Å; Y266-F268 VanDerWaalsContact C-N 3.28Å; Y266-F268 HydrophobicContact CD1-CB 3.78Å; Y266-F268 HydrophobicContact CD1-CD1 4.04Å; Y266-F268 HydrophobicContact CD1-CG 4.3Å; Y266-F268 HydrophobicContact CE1-CB 3.72Å; Y266-F268 PolarHBondContact O-N 3.19Å
267N70.8Confident79.1Confident124 Ų12471.3 Ų71.366%0.66336%0.355SS*.  trans-74.275.4-178.6178.824.9000111.7
268F76.9Confident78.6Confident51 Ų5174.5 Ų74.522%0.22436%0.362CS..  trans-106.5148.4169.188-83.9000111.1I258 H259 I262 Y266I258-F268 HydrophobicContact CB-CZ 4.17Å; I258-F268 HydrophobicContact CG2-CE1 4.08Å; I258-F268 HydrophobicContact CG2-CZ 3.69Å; H259-F268 VanDerWaalsContact CA-CZ 3.48Å; H259-F268 HydrophobicContact CB-CE1 4.12Å; H259-F268 HydrophobicContact CB-CE2 4.31Å; H259-F268 HydrophobicContact CB-CZ 3.71Å; H259-F268 PolarHBondContact CE1-O 2.82Å; H259-F268 PolarHBondContact ND1-O 3.08Å; I262-F268 HydrophobicContact CB-CE1 4.32Å; Y266-F268 VanDerWaalsContact C-N 3.28Å; Y266-F268 HydrophobicContact CD1-CB 3.78Å; Y266-F268 HydrophobicContact CD1-CD1 4.04Å; Y266-F268 HydrophobicContact CD1-CG 4.3Å; Y266-F268 HydrophobicContact CE1-CB 3.72Å; Y266-F268 PolarHBondContact O-N 3.19Å
269Q69.2Low78.2Confident80 Ų8074.6 Ų74.637%0.37436%0.36SS..  trans-106.2131.3178.7171.8168.5-300110.4R85R85-Q269 HydrophobicContact CB-CB 4.49Å; R85-Q269 HydrophobicContact CB-CG 4.02Å
270P77Confident78.3Confident5 Ų574 Ų743%0.03236%0.359CS..  trans-56.2139.7169-27.236.9000111.8L88 H259 L272L88-P270 HydrophobicContact CD1-CG 4Å; H259-P270 HydrophobicContact CB-CG 3.75Å; P270-L272 VanDerWaalsContact C-N 3.29Å; P270-L272 PolarHBondContact O-N 3.27Å
271L77.5Confident78.2Confident43 Ų4367.2 Ų67.223%0.22533%0.329CS..SBendtrans-60.2-42.6178.4-172.581.8000111.5Y164 I169Y164-L271 HydrophobicContact CD1-CD1 4.19Å; Y164-L271 HydrophobicContact CD2-CD1 4.27Å; Y164-L271 HydrophobicContact CE1-CD1 3.81Å; Y164-L271 HydrophobicContact CE2-CD1 3.9Å; Y164-L271 HydrophobicContact CE2-CG 4.19Å; Y164-L271 WeakPolarHBondContact CE2-O 3.4Å; Y164-L271 HydrophobicContact CG-CD1 4.41Å; Y164-L271 PolarHBondContact OH-O 2.8Å; I169-L271 HydrophobicContact CG2-CD1 3.62Å; I169-L271 HydrophobicContact CG2-CD2 4.21Å
272L80.1Confident77.7Confident26 Ų2663.9 Ų63.914%0.13631%0.313CS..SBendtrans-143.4134.7-179.9-67.6169.2000107.8Y174 I248 P270 E276 V277Y174-L272 HydrophobicContact CE1-CD1 3.68Å; I248-L272 HydrophobicContact CG2-CD1 4.1Å; P270-L272 VanDerWaalsContact C-N 3.29Å; P270-L272 PolarHBondContact O-N 3.27Å; L272-E276 HydrophobicContact CD2-CB 4.46Å; L272-V277 HydrophobicContact CB-CG2 4.02Å; L272-V277 HydrophobicContact CD1-CG2 4.31Å
273T79.8Confident77.6Confident2 Ų263.6 Ų63.61%0.01232%0.315CS..  trans-84.7160.8166.571.60000110.3Q87 L88 E256 T275 E276 V277Q87-T273 HydrophobicContact CB-CG2 4.46Å; Q87-T273 PolarHBondContact OE1-OG1 3.26Å; L88-T273 HydrophobicContact CD2-CG2 3.96Å; L88-T273 HydrophobicContact CG-CG2 4.48Å; E256-T273 WeakPolarHBondContact OE1-CA 3.28Å; E256-T273 VanDerWaalsContact OE1-CB 3.3Å; E256-T273 WeakPolarHBondContact OE1-CB 3.42Å; T273-T275 PolarHBondContact O-N 3.49Å; T273-T275 PolarHBondContact OG1-N 2.89Å; T273-E276 PolarHBondContact N-OE2 3.11Å; T273-E276 PolarHBondContact O-N 3.09Å; T273-E276 WeakPolarHBondContact OG1-CG 3.38Å; T273-E276 PolarHBondContact OG1-N 3.44Å; T273-V277 WeakPolarHBondContact O-CG2 3.13Å; T273-V277 PolarHBondContact O-N 3.05Å
274R81.8Confident77.5Confident83 Ų8366.3 Ų66.331%0.31332%0.322SS..Hα-helixtrans-57.4-35.8171.2-75.5-178.4-71.1167.2-3111.7Y249 A252 F253 E256 E276 V277 Y278Y249-R274 HydrophobicContact CD1-CG 4.34Å; Y249-R274 HydrophobicContact CD2-CB 4.19Å; Y249-R274 HydrophobicContact CD2-CG 4.21Å; Y249-R274 HydrophobicContact CE1-CG 4.06Å; Y249-R274 HydrophobicContact CE2-CB 3.68Å; Y249-R274 HydrophobicContact CE2-CG 3.94Å; Y249-R274 HydrophobicContact CG-CG 4.41Å; A252-R274 HydrophobicContact CB-CG 3.94Å; F253-R274 HydrophobicContact CB-CG 4.32Å; E256-R274 PolarHBondContact OE1-N 3.24Å; E256-R274 IonicContact OE1-NE 3.65Å; E256-R274 IonicContact OE2-CZ 3.29Å; E256-R274 IonicContact OE2-NE 3.95Å; E256-R274 PolarHBondContact OE2-NE 3.29Å; E256-R274 IonicContact OE2-NH2 2.95Å; E256-R274 PolarHBondContact OE2-NH2 2.61Å; R274-E276 VanDerWaalsContact C-N 3.35Å; R274-V277 PolarHBondContact O-N 3.08Å; R274-Y278 WeakPolarHBondContact O-CB 3.28Å; R274-Y278 PolarHBondContact O-N 3.32Å
275T72.6Confident77.5Confident68 Ų6866.9 Ų66.942%0.41731%0.312SS..Hα-helixtrans-63.2-40.3174.7-60.60000111.5T273 K279T273-T275 PolarHBondContact O-N 3.49Å; T273-T275 PolarHBondContact OG1-N 2.89Å; T275-K279 HydrophobicContact CG2-CD 4.05Å; T275-K279 WeakPolarHBondContact O-CB 3.25Å; T275-K279 VanDerWaalsContact O-CG 3.23Å; T275-K279 WeakPolarHBondContact O-CG 3.33Å; T275-K279 PolarHBondContact O-N 2.85Å
276E80.2Confident77.6Confident11 Ų1163 Ų635%0.05130%0.295CS..Hα-helixtrans-70.3-42.8176.3-73.6170.8161.200111.9G84 R160 L272 T273 R274 Y278 K279 T280G84-E276 PolarHBondContact N-OE1 3.32Å; R160-E276 IonicContact CZ-OE1 3.51Å; R160-E276 VanDerWaalsContact CZ-OE1 3.3Å; R160-E276 IonicContact CZ-OE2 3.24Å; R160-E276 VanDerWaalsContact NH1-CD 3.35Å; R160-E276 IonicContact NH1-OE1 3.96Å; R160-E276 PolarHBondContact NH1-OE1 3.1Å; R160-E276 VanDerWaalsContact NH1-OE1 3.12Å; R160-E276 IonicContact NH1-OE2 3.01Å; R160-E276 PolarHBondContact NH1-OE2 3.15Å; R160-E276 VanDerWaalsContact NH2-CD 3.31Å; R160-E276 IonicContact NH2-OE1 3.91Å; R160-E276 PolarHBondContact NH2-OE1 3.01Å; R160-E276 IonicContact NH2-OE2 3.4Å; L272-E276 HydrophobicContact CD2-CB 4.46Å; T273-E276 PolarHBondContact N-OE2 3.11Å; T273-E276 PolarHBondContact O-N 3.09Å; T273-E276 WeakPolarHBondContact OG1-CG 3.38Å; T273-E276 PolarHBondContact OG1-N 3.44Å; R274-E276 VanDerWaalsContact C-N 3.35Å; E276-Y278 VanDerWaalsContact C-N 3.35Å; E276-Y278 PolarHBondContact O-N 3.11Å; E276-K279 PolarHBondContact O-N 3.32Å; E276-T280 WeakPolarHBondContact O-CB 3.36Å; E276-T280 WeakPolarHBondContact O-CG2 3.38Å; E276-T280 PolarHBondContact O-N 3.12Å; E276-T280 PolarHBondContact O-OG1 3.01Å
277V83.4Confident78.2Confident0 Ų059.7 Ų59.70%030%0.295CS..Hα-helixtrans-60.4-44.4175.5176.10000111.4Y174 I245 I248 Y249 A252 L272 T273 R274 G281Y174-V277 HydrophobicContact CD2-CG1 4.33Å; Y174-V277 HydrophobicContact CE2-CB 4.29Å; Y174-V277 HydrophobicContact CE2-CG1 3.88Å; Y174-V277 HydrophobicContact CE2-CG2 4.43Å; I245-V277 HydrophobicContact CD1-CG1 4.42Å; I245-V277 HydrophobicContact CG1-CG1 3.77Å; I248-V277 HydrophobicContact CB-CG1 4.31Å; I248-V277 HydrophobicContact CG2-CG1 4.09Å; I248-V277 HydrophobicContact CG2-CG2 3.72Å; Y249-V277 HydrophobicContact CD2-CG1 4.38Å; A252-V277 HydrophobicContact CB-CG2 3.85Å; L272-V277 HydrophobicContact CB-CG2 4.02Å; L272-V277 HydrophobicContact CD1-CG2 4.31Å; T273-V277 WeakPolarHBondContact O-CG2 3.13Å; T273-V277 PolarHBondContact O-N 3.05Å; R274-V277 PolarHBondContact O-N 3.08Å; V277-G281 PolarHBondContact O-N 3.41Å
278Y73.7Confident79.3Confident144 Ų14455 Ų5557%0.56527%0.269SS*.Hα-helixtrans-65-49177.5-172.1-89.1000111.6R274 E276 T280 V282R274-Y278 WeakPolarHBondContact O-CB 3.28Å; R274-Y278 PolarHBondContact O-N 3.32Å; E276-Y278 VanDerWaalsContact C-N 3.35Å; E276-Y278 PolarHBondContact O-N 3.11Å; Y278-T280 PolarHBondContact O-N 2.95Å; Y278-V282 HydrophobicContact CD2-CG2 3.92Å; Y278-V282 HydrophobicContact CE2-CG2 3.97Å; Y278-V282 HydrophobicContact CG-CG2 4.27Å; Y278-V282 VanDerWaalsContact O-CB 3.32Å; Y278-V282 WeakPolarHBondContact O-CB 3.44Å; Y278-V282 WeakPolarHBondContact O-CG2 3.45Å; Y278-V282 PolarHBondContact O-N 3.22Å
279K75Confident80.2Confident82 Ų8255.3 Ų55.336%0.35728%0.281SS..Hα-helixtrans-59.9-43.4178.6-75.6173.3179.2178.60112.4T275 E276 H284T275-K279 HydrophobicContact CG2-CD 4.05Å; T275-K279 WeakPolarHBondContact O-CB 3.25Å; T275-K279 VanDerWaalsContact O-CG 3.23Å; T275-K279 WeakPolarHBondContact O-CG 3.33Å; T275-K279 PolarHBondContact O-N 2.85Å; E276-K279 PolarHBondContact O-N 3.32Å; K279-H284 PolarHBondContact O-CE1 3.31Å; K279-H284 PolarHBondContact O-ND1 3.11Å
280T83.9Confident81.5Confident28 Ų2854.9 Ų54.917%0.17228%0.278CS..Hα-helixtrans-85.2-21.5-174.356.20000114.3Y174 N223 E276 Y278Y174-T280 WeakPolarHBondContact CE2-OG1 3.31Å; Y174-T280 PolarHBondContact OH-OG1 2.95Å; N223-T280 VanDerWaalsContact CB-O 3.25Å; N223-T280 WeakPolarHBondContact CB-O 3.5Å; N223-T280 WeakPolarHBondContact ND2-CB 3.22Å; E276-T280 WeakPolarHBondContact O-CB 3.36Å; E276-T280 WeakPolarHBondContact O-CG2 3.38Å; E276-T280 PolarHBondContact O-N 3.12Å; E276-T280 PolarHBondContact O-OG1 3.01Å; Y278-T280 PolarHBondContact O-N 2.95Å
281G78.6Confident82.4Confident5 Ų554.6 Ų54.65%0.05228%0.277CS..Hα-helixtrans-105.9-4.6-174.200000116.2V277V277-G281 PolarHBondContact O-N 3.41Å
282V74.3Confident83.3Confident42 Ų4257.1 Ų57.126%0.25529%0.286SS..SBendtrans-118.7140.2-176.9-177.10000110.7I245 Y278 H284I245-V282 HydrophobicContact CD1-CG2 3.62Å; Y278-V282 HydrophobicContact CD2-CG2 3.92Å; Y278-V282 HydrophobicContact CE2-CG2 3.97Å; Y278-V282 HydrophobicContact CG-CG2 4.27Å; Y278-V282 VanDerWaalsContact O-CB 3.32Å; Y278-V282 WeakPolarHBondContact O-CB 3.44Å; Y278-V282 WeakPolarHBondContact O-CG2 3.45Å; Y278-V282 PolarHBondContact O-N 3.22Å; V282-H284 PolarHBondContact O-N 2.78Å; V282-H284 PolarHBondContact O-ND1 2.95Å
283T79.4Confident84.1Confident74 Ų7459.6 Ų59.645%0.45431%0.31SS..  trans-60.9120.4175.6-59.60000110.9S179 L180 Y285S179-T283 WeakPolarHBondContact CA-OG1 3.3Å; L180-T283 HydrophobicContact CB-CG2 4.3Å; L180-T283 PolarHBondContact N-OG1 3.35Å; L180-T283 CarbonylContact O-C 3.52Å; L180-T283 WeakPolarHBondContact O-CA 3.19Å; T283-Y285 HydrophobicContact CG2-CD1 3.86Å; T283-Y285 HydrophobicContact CG2-CE1 3.92Å
284H75.8Confident84.9Confident77 Ų7762.1 Ų62.136%0.35632%0.321SS..BIsolated β-bridgetrans-154.6110.9170.367.9-61.6000109.4L180 V181 K279 V282L180-H284 PolarHBondContact O-N 3.15Å; V181-H284 WeakPolarHBondContact CA-O 3.36Å; V181-H284 VanDerWaalsContact CG1-CE1 3.43Å; V181-H284 WeakPolarHBondContact CG1-CE1 3.26Å; K279-H284 PolarHBondContact O-CE1 3.31Å; K279-H284 PolarHBondContact O-ND1 3.11Å; V282-H284 PolarHBondContact O-N 2.78Å; V282-H284 PolarHBondContact O-ND1 2.95Å
285Y81.7Confident85.7Confident116 Ų11658.8 Ų58.846%0.45531%0.309SS..  trans-150.4157.917773.4-90.7000108L180 E182 P220 T283L180-Y285 HydrophobicContact CB-CD1 4.08Å; L180-Y285 HydrophobicContact CB-CE1 4.32Å; L180-Y285 HydrophobicContact CD1-CE1 4.41Å; E182-Y285 WeakPolarHBondContact OE2-CA 3.19Å; E182-Y285 WeakPolarHBondContact OE2-CB 3.06Å; P220-Y285 HydrophobicContact CB-CD1 4.34Å; P220-Y285 HydrophobicContact CB-CD2 4.16Å; P220-Y285 HydrophobicContact CB-CG 4.07Å; P220-Y285 HydrophobicContact CG-CD2 3.66Å; P220-Y285 HydrophobicContact CG-CE2 4.01Å; P220-Y285 HydrophobicContact CG-CG 4.05Å; T283-Y285 HydrophobicContact CG2-CD1 3.86Å; T283-Y285 HydrophobicContact CG2-CE1 3.92Å
286F83.4Confident86.8Confident103 Ų10357.9 Ų57.945%0.45231%0.314SS..  trans-139.1147.3-166.4-60.3-81.1000112.6E182 F214 M288E182-F286 PolarHBondContact OE2-N 2.78Å; F214-F286 HydrophobicContact CB-CB 3.86Å; F214-F286 HydrophobicContact CD1-CB 3.43Å; F214-F286 VanDerWaalsContact CD1-CB 3.43Å; F214-F286 HydrophobicContact CD1-CD1 4.19Å; F214-F286 AromaticContact CD1-CD2 3.77Å; F214-F286 HydrophobicContact CD1-CD2 3.77Å; F214-F286 AromaticContact CD1-CG 3.53Å; F214-F286 HydrophobicContact CD1-CG 3.53Å; F214-F286 HydrophobicContact CD2-CB 3.81Å; F214-F286 HydrophobicContact CD2-CG 4.39Å; F214-F286 HydrophobicContact CE1-CB 3.79Å; F214-F286 AromaticContact CE1-CD1 3.62Å; F214-F286 HydrophobicContact CE1-CD1 3.62Å; F214-F286 AromaticContact CE1-CD2 3.66Å; F214-F286 HydrophobicContact CE1-CD2 3.66Å; F214-F286 HydrophobicContact CE1-CE1 4.07Å; F214-F286 HydrophobicContact CE1-CE2 4.1Å; F214-F286 AromaticContact CE1-CG 3.39Å; F214-F286 HydrophobicContact CE1-CG 3.39Å; F214-F286 HydrophobicContact CE1-CZ 4.29Å; F214-F286 HydrophobicContact CE2-CB 4.15Å; F214-F286 HydrophobicContact CE2-CD1 4.1Å; F214-F286 HydrophobicContact CE2-CG 4.28Å; F214-F286 HydrophobicContact CG-CB 3.43Å; F214-F286 VanDerWaalsContact CG-CB 3.43Å; F214-F286 HydrophobicContact CG-CG 4.03Å; F214-F286 HydrophobicContact CZ-CB 4.13Å; F214-F286 AromaticContact CZ-CD1 3.56Å; F214-F286 HydrophobicContact CZ-CD1 3.56Å; F214-F286 HydrophobicContact CZ-CD2 4.44Å; F214-F286 HydrophobicContact CZ-CE1 4.03Å; F214-F286 AromaticContact CZ-CG 3.79Å; F214-F286 HydrophobicContact CZ-CG 3.79Å; F286-M288 PolarHBondContact O-N 3.39Å
287S87.4Confident87.6Confident90 Ų9057.4 Ų57.463%0.62931%0.312SS*.  trans-71.7117.4180-176.60000111.9A289S287-A289 PolarHBondContact O-N 3.27Å; S287-A289 VanDerWaalsContact OG-CB 3.27Å; S287-A289 WeakPolarHBondContact OG-CB 3.26Å; S287-A289 PolarHBondContact OG-N 3.29Å
288M93.9Very high88.3Confident24 Ų2464.4 Ų64.412%0.11835%0.345CS..  trans-82.59.1167.965.1164.716500113.7F214 F286 K290 A291 K292 Y297 P299F214-M288 WeakPolarHBondContact O-CB 3.37Å; F286-M288 PolarHBondContact O-N 3.39Å; M288-K290 PolarHBondContact O-N 3.21Å; M288-K290 VanDerWaalsContact O-N 3.13Å; M288-A291 HydrophobicContact CB-CB 4.46Å; M288-A291 WeakPolarHBondContact O-CB 3.32Å; M288-A291 PolarHBondContact O-N 3.15Å; M288-K292 PolarHBondContact O-N 2.91Å; M288-Y297 HydrophobicContact SD-CD1 4.14Å; M288-Y297 HydrophobicContact SD-CE1 3.81Å; M288-P299 HydrophobicContact CE-CG 4.13Å; M288-P299 HydrophobicContact SD-CG 4.36Å
289A94.8Very high89.3Confident58 Ų5859.1 Ų59.148%0.47933%0.328SS..Hα-helixtrans-55.4-35-177.100000113S287 K292 A293S287-A289 PolarHBondContact O-N 3.27Å; S287-A289 VanDerWaalsContact OG-CB 3.27Å; S287-A289 WeakPolarHBondContact OG-CB 3.26Å; S287-A289 PolarHBondContact OG-N 3.29Å; A289-K292 PolarHBondContact O-N 2.84Å; A289-A293 WeakPolarHBondContact O-CB 3.36Å; A289-A293 PolarHBondContact O-N 2.95Å
290K96.5Very high90.3Very high71 Ų7162 Ų6231%0.30934%0.343SS..Hα-helixtrans-66.6-40.6174.8-163.1-170.3174.6179.30112.6Y213 M288 K292 A293 E294Y213-K290 HydrophobicContact CD1-CB 4.29Å; Y213-K290 HydrophobicContact CD1-CD 4.03Å; Y213-K290 HydrophobicContact CD1-CG 4.02Å; Y213-K290 HydrophobicContact CE1-CD 3.91Å; Y213-K290 HydrophobicContact CE1-CG 3.84Å; M288-K290 PolarHBondContact O-N 3.21Å; M288-K290 VanDerWaalsContact O-N 3.13Å; K290-K292 VanDerWaalsContact C-N 3.33Å; K290-K292 PolarHBondContact O-N 3.47Å; K290-A293 PolarHBondContact O-N 3.37Å; K290-E294 WeakPolarHBondContact CE-OE1 3.22Å; K290-E294 WeakPolarHBondContact CE-OE2 3.48Å; K290-E294 HydrophobicContact CG-CG 4.43Å; K290-E294 WeakPolarHBondContact CG-OE1 3.5Å; K290-E294 WeakPolarHBondContact O-CB 3.14Å; K290-E294 PolarHBondContact O-N 3.42Å
291A96.8Very high90.8Very high0 Ų067.2 Ų67.20%037%0.369CS..Hα-helixtrans-64.9-38.8176.900000111.2Y213 I215 M288 L295 G296 Y297Y213-A291 HydrophobicContact CD1-CB 4.21Å; I215-A291 HydrophobicContact CD1-CB 3.77Å; M288-A291 HydrophobicContact CB-CB 4.46Å; M288-A291 WeakPolarHBondContact O-CB 3.32Å; M288-A291 PolarHBondContact O-N 3.15Å; A291-L295 HydrophobicContact CB-CD1 4.43Å; A291-L295 WeakPolarHBondContact O-CA 3.38Å; A291-L295 VanDerWaalsContact O-CB 3.24Å; A291-L295 WeakPolarHBondContact O-CB 3.43Å; A291-L295 PolarHBondContact O-N 3Å; A291-G296 PolarHBondContact O-N 3.25Å; A291-Y297 HydrophobicContact CB-CD1 4.05Å; A291-Y297 HydrophobicContact CB-CG 4.45Å; A291-Y297 PolarHBondContact O-N 2.93Å
292K96.8Very high91.5Very high96 Ų9668.4 Ų68.442%0.41737%0.374SS..Hα-helixtrans-59.5-55.4171.1-71.7-172171.1-157.50112M288 A289 K290 G296 Y297M288-K292 PolarHBondContact O-N 2.91Å; A289-K292 PolarHBondContact O-N 2.84Å; K290-K292 VanDerWaalsContact C-N 3.33Å; K290-K292 PolarHBondContact O-N 3.47Å; K292-G296 VanDerWaalsContact O-CA 3.31Å; K292-G296 WeakPolarHBondContact O-CA 3.45Å; K292-G296 PolarHBondContact O-N 3.46Å; K292-G296 VanDerWaalsContact O-N 3.11Å; K292-Y297 VanDerWaalsContact CG-O 3.28Å; K292-Y297 WeakPolarHBondContact CG-O 3.22Å
293A96.9Very high92.3Very high77 Ų7770.1 Ų70.164%0.63638%0.381SS*.Hα-helixtrans-66.5-39.3-173.700000113.6A289 K290A289-A293 WeakPolarHBondContact O-CB 3.36Å; A289-A293 PolarHBondContact O-N 2.95Å; K290-A293 PolarHBondContact O-N 3.37Å
294E96.9Very high93Very high56 Ų5666.9 Ų66.926%0.26236%0.361SS..Hα-helixtrans-97.9-37.9-172.6-68172.2-152.500113.2R207 Y213 K290R207-E294 WeakPolarHBondContact CD-O 3.27Å; R207-E294 HydrophobicContact CG-CB 4.17Å; R207-E294 HydrophobicContact CG-CG 4.47Å; Y213-E294 HydrophobicContact CE1-CB 3.89Å; Y213-E294 HydrophobicContact CE1-CG 4.5Å; Y213-E294 WeakPolarHBondContact CE1-OE2 3.33Å; Y213-E294 VanDerWaalsContact CZ-OE2 3.26Å; Y213-E294 PolarHBondContact OH-OE2 3.42Å; K290-E294 WeakPolarHBondContact CE-OE1 3.22Å; K290-E294 WeakPolarHBondContact CE-OE2 3.48Å; K290-E294 HydrophobicContact CG-CG 4.43Å; K290-E294 WeakPolarHBondContact CG-OE1 3.5Å; K290-E294 WeakPolarHBondContact O-CB 3.14Å; K290-E294 PolarHBondContact O-N 3.42Å
295L97.1Very high93.9Very high12 Ų1267.3 Ų67.36%0.06337%0.366CS..Hα-helixtrans-99.8-11.5-177.3-47.8-178.5000113.6L144 L195 A196 A199 Y213 A291 Y297L144-L295 HydrophobicContact CD2-CD1 4.39Å; L195-L295 HydrophobicContact CB-CB 4.26Å; A196-L295 HydrophobicContact CB-CD1 4.13Å; A199-L295 HydrophobicContact CB-CD2 3.65Å; Y213-L295 HydrophobicContact CD1-CD1 4.14Å; Y213-L295 HydrophobicContact CD1-CG 4.25Å; Y213-L295 HydrophobicContact CD2-CD1 3.91Å; Y213-L295 HydrophobicContact CD2-CD2 4.49Å; Y213-L295 HydrophobicContact CD2-CG 4.47Å; Y213-L295 HydrophobicContact CE1-CD1 4.38Å; Y213-L295 HydrophobicContact CE1-CD2 4.24Å; Y213-L295 HydrophobicContact CE1-CG 4.05Å; Y213-L295 HydrophobicContact CE2-CD1 4.15Å; Y213-L295 HydrophobicContact CE2-CD2 3.89Å; Y213-L295 HydrophobicContact CE2-CG 4.27Å; Y213-L295 HydrophobicContact CG-CD1 3.9Å; Y213-L295 HydrophobicContact CG-CG 4.45Å; A291-L295 HydrophobicContact CB-CD1 4.43Å; A291-L295 WeakPolarHBondContact O-CA 3.38Å; A291-L295 VanDerWaalsContact O-CB 3.24Å; A291-L295 WeakPolarHBondContact O-CB 3.43Å; A291-L295 PolarHBondContact O-N 3Å; L295-Y297 PolarHBondContact O-N 3.45Å
296G96.4Very high94.6Very high50 Ų5064.9 Ų64.952%0.51536%0.359SS..  trans68.222.4-168.800000113.3A291 K292 E298A291-G296 PolarHBondContact O-N 3.25Å; K292-G296 VanDerWaalsContact O-CA 3.31Å; K292-G296 WeakPolarHBondContact O-CA 3.45Å; K292-G296 PolarHBondContact O-N 3.46Å; K292-G296 VanDerWaalsContact O-N 3.11Å; G296-E298 PolarHBondContact O-N 3.38Å
297Y97.6Very high95.2Very high0 Ų060 Ų600%034%0.337CS..  trans-72.5110-174.5171.7-108.5000112.4A192 L195 I215 S216 M288 A291 K292 L295 P299A192-Y297 HydrophobicContact CB-CD2 3.78Å; A192-Y297 HydrophobicContact CB-CE2 3.73Å; L195-Y297 HydrophobicContact CD1-CD2 4.31Å; I215-Y297 HydrophobicContact CD1-CD1 4.28Å; I215-Y297 HydrophobicContact CD1-CE1 4.49Å; I215-Y297 HydrophobicContact CG2-CE1 3.92Å; I215-Y297 HydrophobicContact CG2-CE2 4.15Å; S216-Y297 WeakPolarHBondContact O-CE1 3.46Å; S216-Y297 PolarHBondContact O-OH 2.89Å; M288-Y297 HydrophobicContact SD-CD1 4.14Å; M288-Y297 HydrophobicContact SD-CE1 3.81Å; A291-Y297 HydrophobicContact CB-CD1 4.05Å; A291-Y297 HydrophobicContact CB-CG 4.45Å; A291-Y297 PolarHBondContact O-N 2.93Å; K292-Y297 VanDerWaalsContact CG-O 3.28Å; K292-Y297 WeakPolarHBondContact CG-O 3.22Å; L295-Y297 PolarHBondContact O-N 3.45Å; Y297-P299 HydrophobicContact CE1-CG 4.47Å
298E96.6Very high95.6Very high148 Ų14855.9 Ų55.969%0.69231%0.309SS*.  trans-118.5117170.5-60.4-163.2148.200110G296G296-E298 PolarHBondContact O-N 3.38Å
299P95.8Very high95.7Very high33 Ų3360.4 Ų60.421%0.21433%0.33CS..  trans-71136.4178.926.4-31.8000111.3N188 M288 Y297N188-P299 WeakPolarHBondContact ND2-CB 3.22Å; M288-P299 HydrophobicContact CE-CG 4.13Å; M288-P299 HydrophobicContact SD-CG 4.36Å; Y297-P299 HydrophobicContact CE1-CG 4.47Å
300Q95.9Very high95.7Very high142 Ų14260.4 Ų60.466%0.66432%0.317SS*.  trans-73.6150.9167.9-62-173.2-8.400110.2N188 H302N188-Q300 PolarHBondContact ND2-O 2.95Å; N188-Q300 PolarHBondContact OD1-N 3.17Å; Q300-H302 PolarHBondContact O-CD2 3.35Å; Q300-H302 PolarHBondContact O-N 3.1Å
301D93.5Very high95.7Very high137 Ų13757.1 Ų57.173%0.73330%0.303SS*.  trans-77112.2179.1-16735.6000110.7R219R219-D301 IonicContact CZ-OD1 3.3Å; R219-D301 IonicContact NE-OD1 3.15Å; R219-D301 IonicContact NH1-OD1 3.33Å; R219-D301 PolarHBondContact NH1-OD1 3.01Å
302H94Very high95.6Very high31 Ų3161.4 Ų61.414%0.14432%0.322CS..  trans-117.9159175.5-75.6-89.3000110.5Y150 H185 R219 Q300 E306Y150-H302 WeakPolarHBondContact OH-CB 3.38Å; Y150-H302 PolarHBondContact OH-O 2.97Å; H185-H302 HydrophobicContact CB-CB 3.73Å; H185-H302 AromaticContact CE1-CE1 3.44Å; H185-H302 PolarHBondContact CE1-CE1 3.38Å; H185-H302 VanDerWaalsContact CE1-CE1 3.44Å; H185-H302 AromaticContact CE1-CG 3.96Å; H185-H302 AromaticContact CE1-ND1 3.36Å; H185-H302 PolarHBondContact CE1-ND1 2.83Å; H185-H302 AromaticContact CE1-NE2 4Å; H185-H302 AromaticContact CG-CD2 3.69Å; H185-H302 AromaticContact CG-CG 3.42Å; H185-H302 VanDerWaalsContact CG-CG 3.42Å; H185-H302 AromaticContact CG-ND1 3.65Å; H185-H302 AromaticContact ND1-CD2 3.34Å; H185-H302 PolarHBondContact ND1-CD2 3.5Å; H185-H302 VanDerWaalsContact ND1-CD2 3.34Å; H185-H302 AromaticContact ND1-CE1 3.08Å; H185-H302 PolarHBondContact ND1-CE1 2.92Å; H185-H302 AromaticContact ND1-CG 3.26Å; H185-H302 VanDerWaalsContact ND1-CG 3.26Å; H185-H302 AromaticContact ND1-ND1 3.07Å; H185-H302 PolarHBondContact ND1-ND1 3.19Å; H185-H302 AromaticContact ND1-NE2 3.19Å; H185-H302 PolarHBondContact ND1-NE2 2.97Å; H185-H302 VanDerWaalsContact ND1-NE2 3.19Å; R219-H302 VanDerWaalsContact CZ-O 3.32Å; R219-H302 PolarHBondContact NH1-O 3.15Å; R219-H302 PolarHBondContact NH2-O 2.87Å; Q300-H302 PolarHBondContact O-CD2 3.35Å; Q300-H302 PolarHBondContact O-N 3.1Å; H302-E306 IonicContact CE1-OE1 2.75Å; H302-E306 IonicContact CG-OE1 3.19Å; H302-E306 IonicContact ND1-OE1 3.96Å; H302-E306 PolarHBondContact ND1-OE1 3.25Å
303N90.4Very high95.5Very high78 Ų7861.6 Ų61.642%0.41734%0.335SS..  trans-141.6-178.1177.477.417.6000111.1D305N303-D305 PolarHBondContact ND2-OD2 3.15Å; N303-D305 VanDerWaalsContact OD1-CB 3.22Å; N303-D305 WeakPolarHBondContact OD1-CB 3Å; N303-D305 PolarHBondContact OD1-N 3.1Å; N303-D305 PolarHBondContact OD1-OD2 3.38Å
304L95.3Very high95.4Very high6 Ų665.6 Ų65.63%0.03133%0.334CS..SBendtrans-87.42.7-179.9-71.8-179.9000114.4Y150 F226 F227 P229 L230 V307 V308Y150-L304 HydrophobicContact CD2-CD2 3.62Å; Y150-L304 HydrophobicContact CE2-CD2 4.18Å; Y150-L304 HydrophobicContact CG-CD2 4.36Å; F226-L304 HydrophobicContact CD1-CD1 4.28Å; F226-L304 HydrophobicContact CE1-CD1 4.07Å; F226-L304 HydrophobicContact CE1-CD2 4.19Å; F226-L304 HydrophobicContact CE1-CG 4.41Å; F226-L304 HydrophobicContact CZ-CD1 4.3Å; F226-L304 HydrophobicContact CZ-CD2 4.07Å; F226-L304 HydrophobicContact CZ-CG 4.21Å; F226-L304 WeakPolarHBondContact O-CD1 3.29Å; F227-L304 HydrophobicContact CD1-CD1 4.25Å; P229-L304 HydrophobicContact CB-CB 4.29Å; L230-L304 HydrophobicContact CB-CD1 4.08Å; L304-V307 HydrophobicContact CD2-CB 4.06Å; L304-V307 HydrophobicContact CD2-CG1 4.37Å; L304-V307 HydrophobicContact CD2-CG2 3.76Å; L304-V307 WeakPolarHBondContact O-CB 3.27Å; L304-V307 PolarHBondContact O-N 3.43Å; L304-V308 WeakPolarHBondContact O-CG2 3.39Å; L304-V308 PolarHBondContact O-N 2.77Å
305D94.9Very high95.2Very high86 Ų8665.1 Ų65.146%0.4634%0.343SS..Hα-helixtrans-66.5-41.7-178.5-62.9-34000111N303 V307 V308 Q309N303-D305 PolarHBondContact ND2-OD2 3.15Å; N303-D305 VanDerWaalsContact OD1-CB 3.22Å; N303-D305 WeakPolarHBondContact OD1-CB 3Å; N303-D305 PolarHBondContact OD1-N 3.1Å; N303-D305 PolarHBondContact OD1-OD2 3.38Å; D305-V307 VanDerWaalsContact C-N 3.26Å; D305-V307 PolarHBondContact O-N 3.01Å; D305-V308 WeakPolarHBondContact O-CB 3.28Å; D305-V308 PolarHBondContact O-N 2.86Å; D305-V308 VanDerWaalsContact O-N 3.15Å; D305-Q309 WeakPolarHBondContact O-CG 3.39Å; D305-Q309 PolarHBondContact O-N 3.07Å
306E95Very high95.1Very high65 Ų6567.6 Ų67.630%0.30436%0.355SS..Hα-helixtrans-60.7-35.9173.659176.714100112.3P152 H185 H302 Q309 W310P152-E306 WeakPolarHBondContact CD-OE2 3.29Å; P152-E306 HydrophobicContact CG-CB 3.89Å; P152-E306 HydrophobicContact CG-CG 3.73Å; P152-E306 WeakPolarHBondContact CG-OE2 3.45Å; H185-E306 IonicContact CD2-OE1 2.81Å; H185-E306 IonicContact CE1-OE1 3.84Å; H185-E306 IonicContact NE2-OE1 2.67Å; H185-E306 PolarHBondContact NE2-OE1 3.16Å; H302-E306 IonicContact CE1-OE1 2.75Å; H302-E306 IonicContact CG-OE1 3.19Å; H302-E306 IonicContact ND1-OE1 3.96Å; H302-E306 PolarHBondContact ND1-OE1 3.25Å; E306-Q309 PolarHBondContact O-N 3.45Å; E306-W310 WeakPolarHBondContact O-CB 3.43Å; E306-W310 PolarHBondContact O-N 3.41Å
307V96.1Very high94.8Very high0 Ų065.8 Ų65.80%034%0.336CS..Hα-helixtrans-67-44.8174.2179.50000110.6Y150 L158 L230 L304 D305 Q309 W310 F311Y150-V307 HydrophobicContact CD2-CG2 4.49Å; L158-V307 HydrophobicContact CD1-CG1 3.74Å; L230-V307 HydrophobicContact CD1-CG1 4.06Å; L304-V307 HydrophobicContact CD2-CB 4.06Å; L304-V307 HydrophobicContact CD2-CG1 4.37Å; L304-V307 HydrophobicContact CD2-CG2 3.76Å; L304-V307 WeakPolarHBondContact O-CB 3.27Å; L304-V307 PolarHBondContact O-N 3.43Å; D305-V307 VanDerWaalsContact C-N 3.26Å; D305-V307 PolarHBondContact O-N 3.01Å; V307-Q309 VanDerWaalsContact C-N 3.34Å; V307-Q309 PolarHBondContact O-N 3.28Å; V307-W310 PolarHBondContact O-N 2.95Å; V307-F311 HydrophobicContact CG1-CD2 3.83Å; V307-F311 HydrophobicContact CG1-CE2 3.77Å; V307-F311 VanDerWaalsContact O-CD2 3.3Å; V307-F311 WeakPolarHBondContact O-CD2 3.39Å; V307-F311 PolarHBondContact O-N 3.16Å
308V96.5Very high94.3Very high4 Ų471.7 Ų71.72%0.02436%0.362CS..Hα-helixtrans-58.6-45.2174.9168.30000110.9P229 L230 L304 D305 F311 K312P229-V308 WeakPolarHBondContact O-CG2 3.14Å; L230-V308 HydrophobicContact CD1-CG2 3.92Å; L304-V308 WeakPolarHBondContact O-CG2 3.39Å; L304-V308 PolarHBondContact O-N 2.77Å; D305-V308 WeakPolarHBondContact O-CB 3.28Å; D305-V308 PolarHBondContact O-N 2.86Å; D305-V308 VanDerWaalsContact O-N 3.15Å; V308-F311 PolarHBondContact O-N 2.78Å; V308-K312 HydrophobicContact CG1-CD 3.93Å; V308-K312 HydrophobicContact CG1-CG 4.47Å; V308-K312 WeakPolarHBondContact O-CB 2.94Å; V308-K312 WeakPolarHBondContact O-CG 3.21Å; V308-K312 PolarHBondContact O-N 2.95Å
309Q95.9Very high93.3Very high119 Ų11973.8 Ų73.856%0.55636%0.363SS*.Hα-helixtrans-65.9-39177.5-61.2-55-13.500112D305 E306 V307 F311 K312 S313D305-Q309 WeakPolarHBondContact O-CG 3.39Å; D305-Q309 PolarHBondContact O-N 3.07Å; E306-Q309 PolarHBondContact O-N 3.45Å; V307-Q309 VanDerWaalsContact C-N 3.34Å; V307-Q309 PolarHBondContact O-N 3.28Å; Q309-F311 PolarHBondContact O-N 2.89Å; Q309-K312 PolarHBondContact O-N 2.67Å; Q309-S313 PolarHBondContact O-N 2.76Å; Q309-S313 PolarHBondContact O-OG 3.09Å
310W95.2Very high91.6Very high58 Ų5884.5 Ų84.522%0.2240%0.399CS..Hα-helixtrans-62.8-38.8176.3-17594.6000113.1P152 G153 E306 V307 S313 R314P152-W310 HydrophobicContact CB-CB 3.95Å; P152-W310 HydrophobicContact CB-CG 3.87Å; G153-W310 VanDerWaalsContact CA-CZ2 3.45Å; E306-W310 WeakPolarHBondContact O-CB 3.43Å; E306-W310 PolarHBondContact O-N 3.41Å; V307-W310 PolarHBondContact O-N 2.95Å; W310-S313 PolarHBondContact O-OG 3.43Å; W310-S313 VanDerWaalsContact O-OG 3.09Å; W310-R314 VanDerWaalsContact CE2-NE 3.31Å; W310-R314 WeakPolarHBondContact O-CG 3.39Å
311F96.3Very high89.6Confident2 Ų282.8 Ų82.81%0.00939%0.391CS..Hα-helixtrans-71.7-41.6173.3-83.2-72.6000111.9L158 P159 V162 L230 L234 V307 V308 Q309 R314 G315 H316L158-F311 HydrophobicContact CB-CE2 3.79Å; L158-F311 HydrophobicContact CB-CZ 3.75Å; P159-F311 HydrophobicContact CB-CE1 4.41Å; P159-F311 HydrophobicContact CG-CE1 4.33Å; P159-F311 HydrophobicContact CG-CZ 4.12Å; V162-F311 HydrophobicContact CB-CD1 4.25Å; V162-F311 HydrophobicContact CB-CE1 4.07Å; V162-F311 HydrophobicContact CB-CZ 4.47Å; V162-F311 HydrophobicContact CG1-CD1 4.06Å; V162-F311 HydrophobicContact CG1-CE1 4.31Å; V162-F311 HydrophobicContact CG2-CD1 3.86Å; V162-F311 HydrophobicContact CG2-CD2 3.97Å; V162-F311 HydrophobicContact CG2-CE1 3.76Å; V162-F311 HydrophobicContact CG2-CE2 3.89Å; V162-F311 HydrophobicContact CG2-CG 3.98Å; V162-F311 HydrophobicContact CG2-CZ 3.79Å; L230-F311 HydrophobicContact CD1-CD2 4.14Å; L234-F311 HydrophobicContact CD2-CB 4.02Å; V307-F311 HydrophobicContact CG1-CD2 3.83Å; V307-F311 HydrophobicContact CG1-CE2 3.77Å; V307-F311 VanDerWaalsContact O-CD2 3.3Å; V307-F311 WeakPolarHBondContact O-CD2 3.39Å; V307-F311 PolarHBondContact O-N 3.16Å; V308-F311 PolarHBondContact O-N 2.78Å; Q309-F311 PolarHBondContact O-N 2.89Å; F311-R314 CarbonylContact O-C 3.51Å; F311-R314 PolarHBondContact O-N 2.89Å; F311-R314 VanDerWaalsContact O-N 3.15Å; F311-G315 PolarHBondContact O-N 3.38Å; F311-H316 HydrophobicContact CB-CB 4.08Å; F311-H316 HydrophobicContact CD1-CB 4.41Å; F311-H316 AromaticContact CD1-CD2 3.69Å; F311-H316 WeakPolarHBondContact O-CB 3.39Å; F311-H316 PolarHBondContact O-N 2.81Å; F311-H316 VanDerWaalsContact O-N 3.15Å
312K94.6Very high87.6Confident90 Ų9081.2 Ų81.239%0.39139%0.391SS..Hα-helixtrans-60.9-44.3177.6-79.3175.1179168.10113.1G233 L234 V308 Q309 R314 G315G233-K312 WeakPolarHBondContact O-CE 3.37Å; G233-K312 PolarHBondContact O-NZ 2.86Å; L234-K312 HydrophobicContact CD2-CG 4.19Å; V308-K312 HydrophobicContact CG1-CD 3.93Å; V308-K312 HydrophobicContact CG1-CG 4.47Å; V308-K312 WeakPolarHBondContact O-CB 2.94Å; V308-K312 WeakPolarHBondContact O-CG 3.21Å; V308-K312 PolarHBondContact O-N 2.95Å; Q309-K312 PolarHBondContact O-N 2.67Å; K312-R314 PolarHBondContact O-N 3.44Å; K312-G315 PolarHBondContact O-N 3.45Å
313S94.7Very high85.8Confident100 Ų10082 Ų8270%0.69940%0.4SS*.Hα-helixtrans-63.8-21.9177.965.10000112.7Q309 W310Q309-S313 PolarHBondContact O-N 2.76Å; Q309-S313 PolarHBondContact O-OG 3.09Å; W310-S313 PolarHBondContact O-OG 3.43Å; W310-S313 VanDerWaalsContact O-OG 3.09Å
314R94.3Very high84.4Confident161 Ų16182 Ų8261%0.60840%0.403SS*.THydrogen-bonded Turntrans-92.411.5173-67.1176.9174-112.2-2.7113.9W310 F311 K312W310-R314 VanDerWaalsContact CE2-NE 3.31Å; W310-R314 WeakPolarHBondContact O-CG 3.39Å; F311-R314 CarbonylContact O-C 3.51Å; F311-R314 PolarHBondContact O-N 2.89Å; F311-R314 VanDerWaalsContact O-N 3.15Å; K312-R314 PolarHBondContact O-N 3.44Å
315G93.1Very high82.9Confident45 Ų4588.9 Ų88.946%0.46443%0.432SS..THydrogen-bonded Turntrans83.410.6172.100000115.8F311 K312F311-G315 PolarHBondContact O-N 3.38Å; K312-G315 PolarHBondContact O-N 3.45Å
316H93.9Very high81.6Confident65 Ų6593.2 Ų93.230%0.30144%0.442SS..  trans-81.2161.4172-66.8-84.8000112.2V162 E166 L234 F311V162-H316 HydrophobicContact CG1-CB 4.12Å; E166-H316 WeakPolarHBondContact OE1-CA 3.2Å; E166-H316 VanDerWaalsContact OE1-CB 3.26Å; E166-H316 WeakPolarHBondContact OE1-CB 3.2Å; E166-H316 IonicContact OE1-CG 3.76Å; E166-H316 IonicContact OE1-ND1 2.84Å; E166-H316 PolarHBondContact OE1-ND1 2.79Å; E166-H316 IonicContact OE2-CE1 2.74Å; E166-H316 IonicContact OE2-CG 3.83Å; E166-H316 IonicContact OE2-ND1 3.01Å; E166-H316 PolarHBondContact OE2-ND1 2.98Å; L234-H316 HydrophobicContact CD2-CB 4.5Å; F311-H316 HydrophobicContact CB-CB 4.08Å; F311-H316 HydrophobicContact CD1-CB 4.41Å; F311-H316 AromaticContact CD1-CD2 3.69Å; F311-H316 WeakPolarHBondContact O-CB 3.39Å; F311-H316 PolarHBondContact O-N 2.81Å; F311-H316 VanDerWaalsContact O-N 3.15Å
317G90.6Very high80.3Confident12 Ų1298.8 Ų98.812%0.12446%0.461CS..SBendtrans107.2165.8179.400000113.5E166 L234 R319E166-G317 PolarHBondContact OE1-N 3.5Å; L234-G317 WeakPolarHBondContact O-CA 3.47Å; G317-R319 PolarHBondContact O-N 2.81Å
318K86.8Confident79.4Confident124 Ų124104 Ų10454%0.53949%0.488SS..  trans-69.499.8-176.5-171.5178.1-179.5-178.30110.9L234 G235 Y236 R320L234-K318 PolarHBondContact O-N 2.95Å; G235-K318 WeakPolarHBondContact O-CD 3.42Å; Y236-K318 HydrophobicContact CD2-CB 4.35Å; Y236-K318 HydrophobicContact CE1-CB 4.35Å; Y236-K318 HydrophobicContact CE2-CB 3.95Å; K318-R320 PolarHBondContact O-N 2.75Å
319R77.3Confident78.6Confident192 Ų192107.3 Ų107.373%0.72551%0.505SS*.  trans-55.1133.1172.4-60.8-176.8-177.1-173.2-0.3109.9G317 H321G317-R319 PolarHBondContact O-N 2.81Å; R319-H321 PolarHBondContact O-CD2 2.77Å; R319-H321 PolarHBondContact O-N 3.04Å
320R58.7Low77.8Confident258 Ų258105.9 Ų105.997%0.97450%0.5SS*.  trans-59.3106.4168.7-102.5179.7166.7174.7-4.6107.8K318 S322K318-R320 PolarHBondContact O-N 2.75Å; R320-S322 PolarHBondContact O-N 3.39Å
321H54.7Low77.2Confident105 Ų105107.9 Ų107.949%0.48652%0.515SS..  trans-78.3111.9-166.1-95.4-95.5000112.8R319 S323 V324R319-H321 PolarHBondContact O-CD2 2.77Å; R319-H321 PolarHBondContact O-N 3.04Å; H321-S323 VanDerWaalsContact C-N 3.27Å; H321-S323 PolarHBondContact CE1-OG 3.27Å; H321-S323 PolarHBondContact ND1-OG 3.15Å; H321-V324 HydrophobicContact CB-CB 4.33Å; H321-V324 HydrophobicContact CB-CG2 3.85Å; H321-V324 PolarHBondContact ND1-N 3.23Å
322S51.1Low76.9Confident104 Ų104115 Ų11573%0.72755%0.546SS*.SBendtrans-75.5-18.9143.960.60000111.8R320 R326R320-S322 PolarHBondContact O-N 3.39Å; S322-R326 PolarHBondContact O-N 2.71Å
323S56.6Low76.6Confident48 Ų48115.1 Ų115.134%0.33655%0.551SS.*Hα-helixtrans-87.9-10.7-168.493.40000116.4H321 R326 R327H321-S323 VanDerWaalsContact C-N 3.27Å; H321-S323 PolarHBondContact CE1-OG 3.27Å; H321-S323 PolarHBondContact ND1-OG 3.15Å; S323-R326 PolarHBondContact O-N 3.17Å; S323-R327 WeakPolarHBondContact O-CB 3.31Å; S323-R327 PolarHBondContact O-N 3.41Å
324V60.3Low76.2Confident79 Ų79118.3 Ų118.348%0.47955%0.553SS.*Hα-helixtrans-65.3-47.7168.7170.50000109.4H321 R326 R327 L328H321-V324 HydrophobicContact CB-CB 4.33Å; H321-V324 HydrophobicContact CB-CG2 3.85Å; H321-V324 PolarHBondContact ND1-N 3.23Å; V324-R326 VanDerWaalsContact C-N 3.34Å; V324-R326 PolarHBondContact O-N 3.03Å; V324-R327 PolarHBondContact O-N 3.44Å; V324-L328 HydrophobicContact CG1-CD1 3.94Å; V324-L328 HydrophobicContact CG1-CG 4.41Å; V324-L328 WeakPolarHBondContact O-CG 3.27Å; V324-L328 PolarHBondContact O-N 2.86Å
325F65.1Low75.9Confident149 Ų149114.7 Ų114.765%0.65455%0.548SS*.Hα-helixtrans-58.6-45.3174.7-170.6-115.6000111.4R327 L328 I329F325-R327 PolarHBondContact O-N 3.48Å; F325-L328 PolarHBondContact O-N 3.21Å; F325-I329 HydrophobicContact CD1-CD1 3.65Å; F325-I329 HydrophobicContact CE1-CD1 3.42Å; F325-I329 VanDerWaalsContact CE1-CD1 3.42Å; F325-I329 HydrophobicContact CE2-CD1 4.39Å; F325-I329 HydrophobicContact CG-CD1 4.25Å; F325-I329 HydrophobicContact CZ-CD1 3.82Å; F325-I329 WeakPolarHBondContact O-CG1 3.25Å; F325-I329 PolarHBondContact O-N 2.98Å
326R65.9Low75.6Confident178 Ų178114.9 Ų114.967%0.67254%0.542SS*.Hα-helixtrans-61.7-38175.3-167.5176.4176.6-173.8-1.1113.4S322 S323 V324 L330S322-R326 PolarHBondContact O-N 2.71Å; S323-R326 PolarHBondContact O-N 3.17Å; V324-R326 VanDerWaalsContact C-N 3.34Å; V324-R326 PolarHBondContact O-N 3.03Å; R326-L330 HydrophobicContact CG-CD1 4.24Å; R326-L330 WeakPolarHBondContact O-CB 3.38Å; R326-L330 WeakPolarHBondContact O-CG 3.28Å; R326-L330 PolarHBondContact O-N 3.39Å
327R69.2Low75.2Confident182 Ų182114.4 Ų114.469%0.68755%0.55SS*.Hα-helixtrans-70.1-39.2174.2-97.2-174.4175.6172.9-0.3112.6S323 V324 F325 L330 N331S323-R327 WeakPolarHBondContact O-CB 3.31Å; S323-R327 PolarHBondContact O-N 3.41Å; V324-R327 PolarHBondContact O-N 3.44Å; F325-R327 PolarHBondContact O-N 3.48Å; R327-L330 PolarHBondContact O-N 3.34Å; R327-N331 WeakPolarHBondContact O-CB 3.43Å; R327-N331 PolarHBondContact O-N 2.91Å; R327-N331 PolarHBondContact O-OD1 2.97Å
328L76.8Confident74.8Confident109 Ų109120.8 Ų120.857%0.57158%0.575SS**Hα-helixtrans-63.7-43.1174.9-71.9170.1000111V324 F325 N331 F332V324-L328 HydrophobicContact CG1-CD1 3.94Å; V324-L328 HydrophobicContact CG1-CG 4.41Å; V324-L328 WeakPolarHBondContact O-CG 3.27Å; V324-L328 PolarHBondContact O-N 2.86Å; F325-L328 PolarHBondContact O-N 3.21Å; L328-N331 PolarHBondContact O-N 3.35Å; L328-F332 VanDerWaalsContact O-CB 3.24Å; L328-F332 WeakPolarHBondContact O-CB 3.39Å; L328-F332 PolarHBondContact O-N 3.45Å
329I80.3Confident74.6Confident74 Ų74119.1 Ų119.138%0.37957%0.57SS.*Hα-helixtrans-60.2-49.5172.5-71.3167.7000111.1F325 N331 F332 L333F325-I329 HydrophobicContact CD1-CD1 3.65Å; F325-I329 HydrophobicContact CE1-CD1 3.42Å; F325-I329 VanDerWaalsContact CE1-CD1 3.42Å; F325-I329 HydrophobicContact CE2-CD1 4.39Å; F325-I329 HydrophobicContact CG-CD1 4.25Å; F325-I329 HydrophobicContact CZ-CD1 3.82Å; F325-I329 WeakPolarHBondContact O-CG1 3.25Å; F325-I329 PolarHBondContact O-N 2.98Å; I329-N331 PolarHBondContact O-N 3.03Å; I329-F332 PolarHBondContact O-N 3.35Å; I329-L333 HydrophobicContact CG2-CD1 3.76Å; I329-L333 HydrophobicContact CG2-CG 4.29Å; I329-L333 WeakPolarHBondContact O-CB 3.45Å; I329-L333 VanDerWaalsContact O-CG 3.28Å; I329-L333 WeakPolarHBondContact O-CG 3.42Å; I329-L333 PolarHBondContact O-N 2.96Å
330L78.4Confident74.8Confident88 Ų88112.8 Ų112.846%0.46156%0.559SS.*Hα-helixtrans-61.3-42.4179.4-83.8161.4000112.6R326 R327 L333 F334R326-L330 HydrophobicContact CG-CD1 4.24Å; R326-L330 WeakPolarHBondContact O-CB 3.38Å; R326-L330 WeakPolarHBondContact O-CG 3.28Å; R326-L330 PolarHBondContact O-N 3.39Å; R327-L330 PolarHBondContact O-N 3.34Å; L330-L333 PolarHBondContact O-N 3.05Å; L330-F334 PolarHBondContact O-N 3.45Å
331N81.7Confident75.9Confident101 Ų101104.4 Ų104.454%0.5454%0.537SS..Hα-helixtrans-66.3-41.6176-71.4-0.8000111.5R327 L328 I329 F334 V335R327-N331 WeakPolarHBondContact O-CB 3.43Å; R327-N331 PolarHBondContact O-N 2.91Å; R327-N331 PolarHBondContact O-OD1 2.97Å; L328-N331 PolarHBondContact O-N 3.35Å; I329-N331 PolarHBondContact O-N 3.03Å; N331-F334 PolarHBondContact O-N 3.31Å; N331-V335 WeakPolarHBondContact O-CG2 3.28Å; N331-V335 PolarHBondContact O-N 2.86Å
332F90.1Very high76.9Confident150 Ų150102.8 Ų102.866%0.65853%0.534SS*.Hα-helixtrans-61.1-45.9175.6179.7-95.9000111.3L328 I329 F334 V335 S336L328-F332 VanDerWaalsContact O-CB 3.24Å; L328-F332 WeakPolarHBondContact O-CB 3.39Å; L328-F332 PolarHBondContact O-N 3.45Å; I329-F332 PolarHBondContact O-N 3.35Å; F332-F334 VanDerWaalsContact C-N 3.34Å; F332-F334 PolarHBondContact O-N 3.46Å; F332-V335 PolarHBondContact O-N 3.26Å; F332-S336 WeakPolarHBondContact O-CB 3.5Å; F332-S336 PolarHBondContact O-N 3.44Å; F332-S336 PolarHBondContact O-OG 3.38Å
333L89.6Confident78.2Confident94 Ų94102.7 Ų102.749%0.49253%0.525SS..Hα-helixtrans-61.6-39.3175.7-71.7171000112.5I329 L330 S336 A337I329-L333 HydrophobicContact CG2-CD1 3.76Å; I329-L333 HydrophobicContact CG2-CG 4.29Å; I329-L333 WeakPolarHBondContact O-CB 3.45Å; I329-L333 VanDerWaalsContact O-CG 3.28Å; I329-L333 WeakPolarHBondContact O-CG 3.42Å; I329-L333 PolarHBondContact O-N 2.96Å; L330-L333 PolarHBondContact O-N 3.05Å; L333-S336 WeakPolarHBondContact CA-OG 3.39Å; L333-S336 PolarHBondContact O-OG 2.97Å; L333-S336 VanDerWaalsContact O-OG 3.05Å; L333-A337 VanDerWaalsContact O-CB 3.25Å; L333-A337 WeakPolarHBondContact O-CB 3.33Å; L333-A337 PolarHBondContact O-N 3.44Å
334F85.8Confident79.2Confident167 Ų167104.6 Ų104.673%0.73254%0.538SS*.Hα-helixtrans-65.9-43.9175.7-121.3-87.5000112L330 N331 F332 F338L330-F334 PolarHBondContact O-N 3.45Å; N331-F334 PolarHBondContact O-N 3.31Å; F332-F334 VanDerWaalsContact C-N 3.34Å; F332-F334 PolarHBondContact O-N 3.46Å; F334-F338 WeakPolarHBondContact O-CB 3.3Å; F334-F338 PolarHBondContact O-N 3.5Å
335V88.2Confident80Confident85 Ų85108.8 Ų108.852%0.51555%0.55SS.*Hα-helixtrans-67.1-42.5177.6170.80000111.1N331 F332 F338 I339N331-V335 WeakPolarHBondContact O-CG2 3.28Å; N331-V335 PolarHBondContact O-N 2.86Å; F332-V335 PolarHBondContact O-N 3.26Å; V335-F338 PolarHBondContact O-N 3.46Å; V335-I339 HydrophobicContact CG1-CD1 3.77Å; V335-I339 HydrophobicContact CG1-CG1 4.46Å; V335-I339 WeakPolarHBondContact O-CB 3.35Å; V335-I339 VanDerWaalsContact O-CG1 3.28Å; V335-I339 WeakPolarHBondContact O-CG1 3.45Å; V335-I339 PolarHBondContact O-N 2.91Å
336S86.9Confident80.5Confident48 Ų48106.7 Ų106.734%0.33655%0.545SS..Hα-helixtrans-66.7-38.7177.462.30000112.3F332 L333 I339 A340F332-S336 WeakPolarHBondContact O-CB 3.5Å; F332-S336 PolarHBondContact O-N 3.44Å; F332-S336 PolarHBondContact O-OG 3.38Å; L333-S336 WeakPolarHBondContact CA-OG 3.39Å; L333-S336 PolarHBondContact O-OG 2.97Å; L333-S336 VanDerWaalsContact O-OG 3.05Å; S336-I339 PolarHBondContact O-N 2.97Å; S336-A340 WeakPolarHBondContact O-CB 3.39Å; S336-A340 PolarHBondContact O-N 2.83Å
337A85.4Confident80.5Confident56 Ų56103.9 Ų103.946%0.46355%0.55SS.*Hα-helixtrans-64.4-42.9174.100000111.6L333 A340 V341L333-A337 VanDerWaalsContact O-CB 3.25Å; L333-A337 WeakPolarHBondContact O-CB 3.33Å; L333-A337 PolarHBondContact O-N 3.44Å; A337-A340 PolarHBondContact O-N 3.29Å; A337-V341 WeakPolarHBondContact O-CG2 3.05Å; A337-V341 PolarHBondContact O-N 2.94Å
338F82.4Confident80.4Confident146 Ų146101.1 Ų101.164%0.6455%0.553SS**Hα-helixtrans-62.1-44.5175.4-176.2-98.4000112.1F334 V335 V341 V342F334-F338 WeakPolarHBondContact O-CB 3.3Å; F334-F338 PolarHBondContact O-N 3.5Å; V335-F338 PolarHBondContact O-N 3.46Å; F338-V341 PolarHBondContact O-N 2.86Å; F338-V342 HydrophobicContact CD1-CG2 4.27Å; F338-V342 HydrophobicContact CE1-CG2 3.91Å; F338-V342 HydrophobicContact CZ-CG2 4.09Å; F338-V342 WeakPolarHBondContact O-CG2 3.46Å; F338-V342 PolarHBondContact O-N 2.88Å
339I82.4Confident79.6Confident88 Ų88101 Ų10145%0.45157%0.568SS.*Hα-helixtrans-61.6-44.9175.3-69.9166.6000110.9V335 S336 V341 V342 L343V335-I339 HydrophobicContact CG1-CD1 3.77Å; V335-I339 HydrophobicContact CG1-CG1 4.46Å; V335-I339 WeakPolarHBondContact O-CB 3.35Å; V335-I339 VanDerWaalsContact O-CG1 3.28Å; V335-I339 WeakPolarHBondContact O-CG1 3.45Å; V335-I339 PolarHBondContact O-N 2.91Å; S336-I339 PolarHBondContact O-N 2.97Å; I339-V341 VanDerWaalsContact C-N 3.32Å; I339-V341 PolarHBondContact O-N 3.46Å; I339-V342 PolarHBondContact O-N 2.9Å; I339-L343 HydrophobicContact CG2-CD1 3.76Å; I339-L343 HydrophobicContact CG2-CG 4.12Å; I339-L343 WeakPolarHBondContact O-CB 3.45Å; I339-L343 VanDerWaalsContact O-CG 3.3Å; I339-L343 WeakPolarHBondContact O-CG 3.24Å; I339-L343 PolarHBondContact O-N 3.25Å
340A81.4Confident78.6Confident60 Ų60100.9 Ų100.950%0.49659%0.585SS.*Hα-helixtrans-60-41.1178.200000112.3S336 A337 L343 S344S336-A340 WeakPolarHBondContact O-CB 3.39Å; S336-A340 PolarHBondContact O-N 2.83Å; A337-A340 PolarHBondContact O-N 3.29Å; A340-L343 PolarHBondContact O-N 2.88Å; A340-S344 PolarHBondContact O-N 2.89Å
341V80.6Confident77.3Confident82 Ų82101.7 Ų101.750%0.49760%0.598SS.*Hα-helixtrans-63.8-46.7174.3171.90000111.1A337 F338 I339 L343 S344 F345A337-V341 WeakPolarHBondContact O-CG2 3.05Å; A337-V341 PolarHBondContact O-N 2.94Å; F338-V341 PolarHBondContact O-N 2.86Å; I339-V341 VanDerWaalsContact C-N 3.32Å; I339-V341 PolarHBondContact O-N 3.46Å; V341-L343 PolarHBondContact O-N 3.18Å; V341-S344 PolarHBondContact O-N 3.41Å; V341-S344 PolarHBondContact O-OG 3.29Å; V341-F345 HydrophobicContact CG1-CD2 4.35Å; V341-F345 HydrophobicContact CG1-CE2 3.8Å; V341-F345 WeakPolarHBondContact O-CD2 3.38Å
342V77.6Confident75.7Confident71 Ų71112.4 Ų112.443%0.4363%0.631SS.*Hα-helixtrans-61.3-42.8177.6171.40000111.6F338 I339 S344 F345F338-V342 HydrophobicContact CD1-CG2 4.27Å; F338-V342 HydrophobicContact CE1-CG2 3.91Å; F338-V342 HydrophobicContact CZ-CG2 4.09Å; F338-V342 WeakPolarHBondContact O-CG2 3.46Å; F338-V342 PolarHBondContact O-N 2.88Å; I339-V342 PolarHBondContact O-N 2.9Å; V342-S344 VanDerWaalsContact C-N 3.29Å; V342-S344 PolarHBondContact O-N 3.4Å; V342-F345 PolarHBondContact O-N 3.17Å
343L78.1Confident75Confident102 Ų102110.5 Ų110.553%0.53463%0.63SS.*Hα-helixtrans-65.4-30.6177.1-68.8176.3000112.6I339 A340 V341 F345 L346I339-L343 HydrophobicContact CG2-CD1 3.76Å; I339-L343 HydrophobicContact CG2-CG 4.12Å; I339-L343 WeakPolarHBondContact O-CB 3.45Å; I339-L343 VanDerWaalsContact O-CG 3.3Å; I339-L343 WeakPolarHBondContact O-CG 3.24Å; I339-L343 PolarHBondContact O-N 3.25Å; A340-L343 PolarHBondContact O-N 2.88Å; V341-L343 PolarHBondContact O-N 3.18Å; L343-F345 PolarHBondContact O-N 2.96Å; L343-L346 HydrophobicContact CD2-CD1 3.69Å; L343-L346 PolarHBondContact O-N 3.41Å; L343-L346 VanDerWaalsContact O-N 3.15Å
344S77.4Confident74.3Confident88 Ų88111.4 Ų111.462%0.61564%0.637SS**Hα-helixtrans-69.4-13.6177750000114.4A340 V341 V342A340-S344 PolarHBondContact O-N 2.89Å; V341-S344 PolarHBondContact O-N 3.41Å; V341-S344 PolarHBondContact O-OG 3.29Å; V342-S344 VanDerWaalsContact C-N 3.29Å; V342-S344 PolarHBondContact O-N 3.4Å
345F75.8Confident73.6Confident166 Ų166108.3 Ų108.373%0.72863%0.631SS**THydrogen-bonded Turntrans-97-1.6172.9-68.2-69.7000113.8V341 V342 L343V341-F345 HydrophobicContact CG1-CD2 4.35Å; V341-F345 HydrophobicContact CG1-CE2 3.8Å; V341-F345 WeakPolarHBondContact O-CD2 3.38Å; V342-F345 PolarHBondContact O-N 3.17Å; L343-F345 PolarHBondContact O-N 2.96Å
346L76.9Confident72.8Confident105 Ų105109.6 Ų109.655%0.5564%0.638SS.*SBendtrans-80.7135.5173-65.8178.8000110.1L343 V348L343-L346 HydrophobicContact CD2-CD1 3.69Å; L343-L346 PolarHBondContact O-N 3.41Å; L343-L346 VanDerWaalsContact O-N 3.15Å; L346-V348 PolarHBondContact O-N 3.14Å
347P66.4Low71.9Confident120 Ų120113.5 Ų113.578%0.77966%0.657SS**  trans-64.1132177.326.5-33.5000110.3A349P347-A349 PolarHBondContact O-N 3.15Å; P347-A349 VanDerWaalsContact O-N 3.14Å
348V66.6Low71Confident123 Ų123117.3 Ų117.375%0.74567%0.67SS**  trans-67.7112.2176.7-178.30000108.6L346 G350L346-V348 PolarHBondContact O-N 3.14Å; V348-G350 PolarHBondContact O-N 3Å
349A60.5Low70.1Confident108 Ų108115.3 Ų115.389%0.89367%0.672SS**THydrogen-bonded Turntrans-68.3100.5174.500000109.5P347P347-A349 PolarHBondContact O-N 3.15Å; P347-A349 VanDerWaalsContact O-N 3.14Å
350G58.3Low69.2Low71 Ų71117.4 Ų117.473%0.73269%0.689SS**THydrogen-bonded Turntrans15111.7179.900000117.8V348V348-G350 PolarHBondContact O-N 3Å
351S51.9Low68.2Low104 Ų104122.2 Ų122.273%0.72771%0.705SS**  trans-112.388.9170.757.70000111.1
352W48.2Very low67.1Low326 Ų326125.8 Ų125.8100%1.23572%0.724SS**  trans-121.30161-79.4100.4000107.7

Retrieved 352 of 352 residues in 100.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).