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NADH-ubiquinone oxidoreductase chain 1

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) which catalyzes electron transfer from NADH through the respiratory chain, using ubiquinone as an electron acceptor1. Essential for the catalytic activity and assembly of complex I2,3.

AlphaFold DB , UniProt , Accession P03886, Species HUMAN (Homo sapiens, Human), Gene MT-ND1, Length 318 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M67.6Low90.3Very high186 Ų18689.7 Ų89.792%0.91649%0.492SS*.  0-55.10-63.4-51.3-156.600113.7M3 A4 N5M1-M3 PolarHBondContact O-N 2.93Å; M1-A4 PolarHBondContact O-N 3.02Å; M1-A4 VanDerWaalsContact O-N 3.16Å; M1-N5 PolarHBondContact O-N 3.1Å; M1-N5 VanDerWaalsContact O-N 3.08Å
2P82.8Confident90.8Very high109 Ų10987.8 Ų87.871%0.70849%0.487SS*.Hα-helixtrans-64.5-40.5-17424.9-33.9000113A4 N5 L6P2-A4 VanDerWaalsContact C-N 3.32Å; P2-A4 PolarHBondContact O-N 3.3Å; P2-N5 PolarHBondContact O-N 3.1Å; P2-L6 PolarHBondContact O-N 2.98Å
3M90.4Very high91.2Very high122 Ų12281.8 Ų81.860%0.60145%0.454SS*.Hα-helixtrans-64.5-36.1176.8-170.361.9-173.600112.7M1 L6 L7M1-M3 PolarHBondContact O-N 2.93Å; M3-L6 PolarHBondContact O-N 3.42Å; M3-L6 HydrophobicContact SD-CD2 4.45Å; M3-L7 HydrophobicContact CE-CD1 4.39Å; M3-L7 HydrophobicContact CE-CD2 4.45Å; M3-L7 HydrophobicContact CE-CG 4.3Å; M3-L7 HydrophobicContact CG-CD1 4.43Å; M3-L7 WeakPolarHBondContact O-CG 3.37Å; M3-L7 PolarHBondContact O-N 3.24Å
4A93.1Very high91.5Very high46 Ų4680.1 Ų80.138%0.3844%0.443SS..Hα-helixtrans-66.2-44.5176.500000110.8M1 P2 L6 L7 L8M1-A4 PolarHBondContact O-N 3.02Å; M1-A4 VanDerWaalsContact O-N 3.16Å; P2-A4 VanDerWaalsContact C-N 3.32Å; P2-A4 PolarHBondContact O-N 3.3Å; A4-L6 VanDerWaalsContact C-N 3.32Å; A4-L6 PolarHBondContact O-N 3.22Å; A4-L7 PolarHBondContact O-N 3.11Å; A4-L8 WeakPolarHBondContact O-CB 3.43Å; A4-L8 WeakPolarHBondContact O-CD1 3.07Å; A4-L8 PolarHBondContact O-N 3.17Å
5N92.5Very high91.7Very high89 Ų8980.1 Ų80.148%0.47644%0.441SS..Hα-helixtrans-61.7-39.5175.8-72.85000112.2M1 P2 L8 L9 L95M1-N5 PolarHBondContact O-N 3.1Å; M1-N5 VanDerWaalsContact O-N 3.08Å; P2-N5 PolarHBondContact O-N 3.1Å; N5-L8 PolarHBondContact O-N 3.14Å; N5-L9 PolarHBondContact O-N 3.4Å; N5-L95 HydrophobicContact CB-CD1 3.74Å
6L93.8Very high92Very high64 Ų6477.9 Ų77.934%0.33544%0.437SS..Hα-helixtrans-63.9-43.1176.4-175.9149.2000111.6P2 M3 A4 L9 I10P2-L6 PolarHBondContact O-N 2.98Å; M3-L6 PolarHBondContact O-N 3.42Å; M3-L6 HydrophobicContact SD-CD2 4.45Å; A4-L6 VanDerWaalsContact C-N 3.32Å; A4-L6 PolarHBondContact O-N 3.22Å; L6-L9 PolarHBondContact O-N 2.96Å; L6-I10 HydrophobicContact CD2-CD1 3.4Å; L6-I10 VanDerWaalsContact CD2-CD1 3.4Å; L6-I10 HydrophobicContact CD2-CG1 4.32Å; L6-I10 HydrophobicContact CG-CD1 4.01Å; L6-I10 WeakPolarHBondContact O-CG1 3.48Å; L6-I10 PolarHBondContact O-N 3.43Å
7L93.6Very high92.2Very high88 Ų8873.7 Ų73.746%0.46141%0.413SS..Hα-helixtrans-64.8-41.4174.9-72.5167.4000111.9M3 A4 L9 I10 V11M3-L7 HydrophobicContact CE-CD1 4.39Å; M3-L7 HydrophobicContact CE-CD2 4.45Å; M3-L7 HydrophobicContact CE-CG 4.3Å; M3-L7 HydrophobicContact CG-CD1 4.43Å; M3-L7 WeakPolarHBondContact O-CG 3.37Å; M3-L7 PolarHBondContact O-N 3.24Å; A4-L7 PolarHBondContact O-N 3.11Å; L7-L9 PolarHBondContact O-N 2.65Å; L7-I10 PolarHBondContact O-N 2.94Å; L7-V11 WeakPolarHBondContact O-CB 3.33Å; L7-V11 WeakPolarHBondContact O-CG2 3.31Å; L7-V11 PolarHBondContact O-N 3.13Å
8L94.3Very high92.3Very high124 Ų12470.7 Ų70.765%0.64940%0.399SS*.Hα-helixtrans-64-22.9174.5-86.6152.2000113.1A4 N5 P12A4-L8 WeakPolarHBondContact O-CB 3.43Å; A4-L8 WeakPolarHBondContact O-CD1 3.07Å; A4-L8 PolarHBondContact O-N 3.17Å; N5-L8 PolarHBondContact O-N 3.14Å; L8-P12 WeakPolarHBondContact O-CD 3.17Å; L8-P12 WeakPolarHBondContact O-CG 3.31Å
9L94.2Very high92.5Very high39 Ų3970.5 Ų70.520%0.20439%0.393CS..Hα-helixtrans-81.4-54.6171.6-176.870.9000110.7N5 L6 L7 P12 I13 W86 L95N5-L9 PolarHBondContact O-N 3.4Å; L6-L9 PolarHBondContact O-N 2.96Å; L7-L9 PolarHBondContact O-N 2.65Å; L9-P12 WeakPolarHBondContact O-CD 3.03Å; L9-I13 HydrophobicContact CD1-CD1 3.91Å; L9-I13 HydrophobicContact CG-CD1 3.73Å; L9-I13 WeakPolarHBondContact O-CD1 3.32Å; L9-I13 WeakPolarHBondContact O-CG1 3.08Å; L9-I13 PolarHBondContact O-N 3.37Å; L9-W86 HydrophobicContact CD2-CB 4.26Å; L9-L95 HydrophobicContact CD2-CB 4.29Å; L9-L95 HydrophobicContact CD2-CD2 3.99Å
10I95.2Very high92.7Very high46 Ų4667.6 Ų67.624%0.23638%0.377CS..Hα-helixtrans-68.2-43.1-169.9-65.1176.7000112.2L6 L7 I13 L14 L83L6-I10 HydrophobicContact CD2-CD1 3.4Å; L6-I10 VanDerWaalsContact CD2-CD1 3.4Å; L6-I10 HydrophobicContact CD2-CG1 4.32Å; L6-I10 HydrophobicContact CG-CD1 4.01Å; L6-I10 WeakPolarHBondContact O-CG1 3.48Å; L6-I10 PolarHBondContact O-N 3.43Å; L7-I10 PolarHBondContact O-N 2.94Å; I10-I13 PolarHBondContact O-N 3.44Å; I10-L14 HydrophobicContact CG2-CD1 3.96Å; I10-L14 HydrophobicContact CG2-CG 4.34Å; I10-L14 WeakPolarHBondContact O-CG 3.34Å; I10-L14 PolarHBondContact O-N 2.88Å; I10-L83 HydrophobicContact CG2-CD1 4.16Å; I10-L83 HydrophobicContact CG2-CD2 4.2Å
11V95.9Very high92.7Very high74 Ų7466.3 Ų66.345%0.44837%0.369SS..Hα-helixtrans-63.6-49.5-174.6172.80000111.5L7 I13 L14 I15L7-V11 WeakPolarHBondContact O-CB 3.33Å; L7-V11 WeakPolarHBondContact O-CG2 3.31Å; L7-V11 PolarHBondContact O-N 3.13Å; V11-I13 VanDerWaalsContact C-N 3.32Å; V11-I13 PolarHBondContact O-N 3.47Å; V11-L14 PolarHBondContact O-N 3.29Å; V11-I15 HydrophobicContact CG1-CD1 3.8Å; V11-I15 VanDerWaalsContact O-CG1 3.32Å; V11-I15 WeakPolarHBondContact O-CG1 3.21Å; V11-I15 PolarHBondContact O-N 3.43Å
12P95.8Very high94Very high67 Ų6757.8 Ų57.844%0.43533%0.327SS..Hα-helixtrans-61.7-34.6174.9-27.839.2000114.1L8 L9 I15 A16L8-P12 WeakPolarHBondContact O-CD 3.17Å; L8-P12 WeakPolarHBondContact O-CG 3.31Å; L9-P12 WeakPolarHBondContact O-CD 3.03Å; P12-I15 PolarHBondContact O-N 3.12Å; P12-A16 VanDerWaalsContact O-CB 3.27Å; P12-A16 WeakPolarHBondContact O-CB 3.17Å; P12-A16 PolarHBondContact O-N 2.87Å
13I95.9Very high94.6Very high10 Ų1055.5 Ų55.55%0.05131%0.311CS..Hα-helixtrans-63.3-45.3176.8-67.9162.8000110.8L9 I10 V11 I15 A16 M17 L83 W86 T229L9-I13 HydrophobicContact CD1-CD1 3.91Å; L9-I13 HydrophobicContact CG-CD1 3.73Å; L9-I13 WeakPolarHBondContact O-CD1 3.32Å; L9-I13 WeakPolarHBondContact O-CG1 3.08Å; L9-I13 PolarHBondContact O-N 3.37Å; I10-I13 PolarHBondContact O-N 3.44Å; V11-I13 VanDerWaalsContact C-N 3.32Å; V11-I13 PolarHBondContact O-N 3.47Å; I13-I15 VanDerWaalsContact C-N 3.31Å; I13-I15 PolarHBondContact O-N 3.41Å; I13-A16 PolarHBondContact O-N 3.41Å; I13-M17 WeakPolarHBondContact O-CB 3.38Å; I13-M17 PolarHBondContact O-N 3.47Å; I13-L83 HydrophobicContact CG2-CD2 4.35Å; I13-W86 HydrophobicContact CD1-CB 3.86Å; I13-W86 HydrophobicContact CD1-CD2 3.38Å; I13-W86 HydrophobicContact CD1-CE3 3.5Å; I13-W86 VanDerWaalsContact CD1-CE3 3.5Å; I13-W86 HydrophobicContact CD1-CG 3.54Å; I13-W86 HydrophobicContact CD1-CZ3 4.13Å; I13-W86 HydrophobicContact CG1-CD2 3.95Å; I13-W86 HydrophobicContact CG1-CE3 3.82Å; I13-W86 HydrophobicContact CG1-CH2 4.15Å; I13-W86 HydrophobicContact CG1-CZ2 4.31Å; I13-W86 HydrophobicContact CG1-CZ3 3.9Å; I13-W86 HydrophobicContact CG2-CD2 4.37Å; I13-W86 HydrophobicContact CG2-CH2 4.39Å; I13-W86 HydrophobicContact CG2-CZ2 3.85Å; I13-T229 HydrophobicContact CG2-CG2 3.92Å
14L95.2Very high94.8Very high57 Ų5749.9 Ų49.930%0.29828%0.283SS..Hα-helixtrans-64.4-38.1177.3-68.1175.1000111.7I10 V11 M17 A18 L83I10-L14 HydrophobicContact CG2-CD1 3.96Å; I10-L14 HydrophobicContact CG2-CG 4.34Å; I10-L14 WeakPolarHBondContact O-CG 3.34Å; I10-L14 PolarHBondContact O-N 2.88Å; V11-L14 PolarHBondContact O-N 3.29Å; L14-M17 HydrophobicContact CD2-CE 4.13Å; L14-M17 WeakPolarHBondContact O-CE 3.4Å; L14-A18 PolarHBondContact O-N 3.23Å; L14-L83 HydrophobicContact CD2-CD2 4.45Å
15I95.9Very high94.9Very high80 Ų8052.6 Ų52.641%0.4128%0.283SS..Hα-helixtrans-66.2-44.3174.6-65.5167.2000110.6V11 P12 I13 M17 A18 F19V11-I15 HydrophobicContact CG1-CD1 3.8Å; V11-I15 VanDerWaalsContact O-CG1 3.32Å; V11-I15 WeakPolarHBondContact O-CG1 3.21Å; V11-I15 PolarHBondContact O-N 3.43Å; P12-I15 PolarHBondContact O-N 3.12Å; I13-I15 VanDerWaalsContact C-N 3.31Å; I13-I15 PolarHBondContact O-N 3.41Å; I15-M17 VanDerWaalsContact C-N 3.33Å; I15-M17 PolarHBondContact O-N 3.02Å; I15-A18 WeakPolarHBondContact O-CB 2.88Å; I15-A18 PolarHBondContact O-N 3.2Å; I15-A18 VanDerWaalsContact O-N 3.14Å; I15-F19 HydrophobicContact CG2-CD2 3.71Å; I15-F19 HydrophobicContact CG2-CE2 3.66Å; I15-F19 VanDerWaalsContact O-CD2 3.29Å; I15-F19 WeakPolarHBondContact O-CD2 3.05Å; I15-F19 PolarHBondContact O-N 3.23Å
16A95.8Very high95Very high46 Ų4650.8 Ų50.838%0.3827%0.271SS..Hα-helixtrans-60.4-43.217800000111.4P12 I13 A18 F19 L20 I232P12-A16 VanDerWaalsContact O-CB 3.27Å; P12-A16 WeakPolarHBondContact O-CB 3.17Å; P12-A16 PolarHBondContact O-N 2.87Å; I13-A16 PolarHBondContact O-N 3.41Å; A16-A18 PolarHBondContact O-N 3.01Å; A16-F19 PolarHBondContact O-N 2.76Å; A16-L20 WeakPolarHBondContact O-CB 3.19Å; A16-L20 PolarHBondContact O-N 2.88Å; A16-I232 HydrophobicContact CB-CD1 4.34Å
17M95.4Very high95Very high6 Ų649.9 Ų49.93%0.0327%0.266CS..Hα-helixtrans-59.6-44.4173.1169.5-81.6-62.100111.9I13 L14 I15 F19 L20 M21 M225 Y228 T229 I232I13-M17 WeakPolarHBondContact O-CB 3.38Å; I13-M17 PolarHBondContact O-N 3.47Å; L14-M17 HydrophobicContact CD2-CE 4.13Å; L14-M17 WeakPolarHBondContact O-CE 3.4Å; I15-M17 VanDerWaalsContact C-N 3.33Å; I15-M17 PolarHBondContact O-N 3.02Å; M17-F19 VanDerWaalsContact C-N 3.32Å; M17-F19 PolarHBondContact O-N 3.39Å; M17-L20 WeakPolarHBondContact O-CB 3.48Å; M17-L20 PolarHBondContact O-N 2.81Å; M17-L20 VanDerWaalsContact O-N 3.16Å; M17-M21 PolarHBondContact O-N 3.21Å; M17-M21 HydrophobicContact SD-CE 3.77Å; M17-M225 HydrophobicContact CE-CB 3.72Å; M17-M225 HydrophobicContact CE-CG 3.29Å; M17-M225 HydrophobicContact CE-SD 3.64Å; M17-M225 HydrophobicContact SD-CB 4.26Å; M17-M225 HydrophobicContact SD-CG 3.86Å; M17-Y228 VanDerWaalsContact CG-CB 3.47Å; M17-T229 HydrophobicContact CB-CG2 3.93Å; M17-T229 HydrophobicContact CG-CG2 4.08Å; M17-I232 HydrophobicContact CB-CD1 4.39Å
18A94.8Very high95Very high19 Ų1946.9 Ų46.916%0.15725%0.25CS..Hα-helixtrans-60.4-42.8178.400000111.8L14 I15 A16 M21 P48L14-A18 PolarHBondContact O-N 3.23Å; I15-A18 WeakPolarHBondContact O-CB 2.88Å; I15-A18 PolarHBondContact O-N 3.2Å; I15-A18 VanDerWaalsContact O-N 3.14Å; A16-A18 PolarHBondContact O-N 3.01Å; A18-M21 PolarHBondContact O-N 3.08Å; A18-P48 HydrophobicContact CB-CB 3.89Å; A18-P48 VanDerWaalsContact O-CB 3.29Å; A18-P48 WeakPolarHBondContact O-CB 3.39Å; A18-P48 WeakPolarHBondContact O-CG 3.5Å
19F95.6Very high94.9Very high68 Ų6841 Ų4130%0.29822%0.22SC..Hα-helixtrans-73.5-28.7176.1-77-70.5000113.5I15 A16 M17 M21 L22 T23 L45 F49I15-F19 HydrophobicContact CG2-CD2 3.71Å; I15-F19 HydrophobicContact CG2-CE2 3.66Å; I15-F19 VanDerWaalsContact O-CD2 3.29Å; I15-F19 WeakPolarHBondContact O-CD2 3.05Å; I15-F19 PolarHBondContact O-N 3.23Å; A16-F19 PolarHBondContact O-N 2.76Å; M17-F19 VanDerWaalsContact C-N 3.32Å; M17-F19 PolarHBondContact O-N 3.39Å; F19-M21 VanDerWaalsContact C-N 3.26Å; F19-M21 PolarHBondContact O-N 3.44Å; F19-L22 HydrophobicContact CD1-CD2 4.26Å; F19-L22 WeakPolarHBondContact O-CB 3.42Å; F19-L22 PolarHBondContact O-N 3.38Å; F19-T23 WeakPolarHBondContact O-CG2 3.33Å; F19-T23 PolarHBondContact O-N 3.41Å; F19-T23 PolarHBondContact O-OG1 3.28Å; F19-L45 HydrophobicContact CE1-CD2 4.19Å; F19-F49 HydrophobicContact CZ-CE2 4.16Å
20L95.5Very high95Very high12 Ų1246.2 Ų46.26%0.06324%0.238CC..Hα-helixtrans-60.1-37.8173.5-170.9103.1000111.4A16 M17 L22 T23 E24 Y228 I231 I232 T267A16-L20 WeakPolarHBondContact O-CB 3.19Å; A16-L20 PolarHBondContact O-N 2.88Å; M17-L20 WeakPolarHBondContact O-CB 3.48Å; M17-L20 PolarHBondContact O-N 2.81Å; M17-L20 VanDerWaalsContact O-N 3.16Å; L20-L22 VanDerWaalsContact C-N 3.3Å; L20-L22 PolarHBondContact O-N 2.93Å; L20-T23 WeakPolarHBondContact CA-OG1 3.19Å; L20-T23 PolarHBondContact O-N 3.02Å; L20-T23 PolarHBondContact O-OG1 2.92Å; L20-E24 VanDerWaalsContact O-CB 3.31Å; L20-E24 WeakPolarHBondContact O-CB 3.45Å; L20-E24 PolarHBondContact O-N 3.14Å; L20-Y228 HydrophobicContact CD2-CD1 3.35Å; L20-Y228 HydrophobicContact CD2-CE1 4.11Å; L20-Y228 HydrophobicContact CD2-CG 4.09Å; L20-I231 HydrophobicContact CD2-CG2 4.48Å; L20-I232 HydrophobicContact CB-CD1 4.21Å; L20-I232 HydrophobicContact CD1-CD1 4.19Å; L20-I232 HydrophobicContact CD1-CG1 3.91Å; L20-I232 HydrophobicContact CD2-CD1 4.39Å; L20-I232 HydrophobicContact CD2-CG1 4.21Å; L20-I232 HydrophobicContact CG-CD1 4.5Å; L20-T267 HydrophobicContact CD1-CG2 4.39Å
21M93.3Very high94.9Very high41 Ų4147.9 Ų47.920%0.20225%0.246CC..Hα-helixtrans-61.6-38.3173.8-66.2-170.7-78.700112.4M17 A18 F19 R25 Y228M17-M21 PolarHBondContact O-N 3.21Å; M17-M21 HydrophobicContact SD-CE 3.77Å; A18-M21 PolarHBondContact O-N 3.08Å; F19-M21 VanDerWaalsContact C-N 3.26Å; F19-M21 PolarHBondContact O-N 3.44Å; M21-R25 WeakPolarHBondContact O-CG 3.43Å; M21-R25 PolarHBondContact O-N 3.09Å; M21-Y228 HydrophobicContact CG-CD2 3.67Å; M21-Y228 HydrophobicContact CG-CE2 3.58Å; M21-Y228 HydrophobicContact CG-CG 4.27Å; M21-Y228 HydrophobicContact SD-CD2 4.03Å; M21-Y228 HydrophobicContact SD-CE2 3.93Å
22L95.5Very high94.8Very high7 Ų749.3 Ų49.34%0.03725%0.247CC..Hα-helixtrans-69.1-45.5175.9176.165.4000111.4F19 L20 E24 R25 K26 P37 G44 L45 Q47 P48F19-L22 HydrophobicContact CD1-CD2 4.26Å; F19-L22 WeakPolarHBondContact O-CB 3.42Å; F19-L22 PolarHBondContact O-N 3.38Å; L20-L22 VanDerWaalsContact C-N 3.3Å; L20-L22 PolarHBondContact O-N 2.93Å; L22-E24 VanDerWaalsContact C-N 3.3Å; L22-E24 PolarHBondContact O-N 3.14Å; L22-R25 PolarHBondContact O-N 3.35Å; L22-K26 PolarHBondContact O-N 3.17Å; L22-K26 VanDerWaalsContact O-N 3.09Å; L22-P37 HydrophobicContact CD1-CB 4.32Å; L22-P37 HydrophobicContact CD1-CG 4.47Å; L22-G44 WeakPolarHBondContact CD1-O 3.27Å; L22-G44 WeakPolarHBondContact CD2-O 3.39Å; L22-L45 HydrophobicContact CD2-CD2 4.23Å; L22-Q47 HydrophobicContact CD1-CB 4.11Å; L22-P48 HydrophobicContact CB-CG 3.87Å
23T94.9Very high94.8Very high61 Ų6154.3 Ų54.337%0.37427%0.27SS..Hα-helixtrans-63-41.2-179.958.40000110.5F19 L20 K26 I27F19-T23 WeakPolarHBondContact O-CG2 3.33Å; F19-T23 PolarHBondContact O-N 3.41Å; F19-T23 PolarHBondContact O-OG1 3.28Å; L20-T23 WeakPolarHBondContact CA-OG1 3.19Å; L20-T23 PolarHBondContact O-N 3.02Å; L20-T23 PolarHBondContact O-OG1 2.92Å; T23-K26 PolarHBondContact O-N 2.83Å; T23-I27 WeakPolarHBondContact O-CB 3.2Å; T23-I27 VanDerWaalsContact O-CG1 3.3Å; T23-I27 WeakPolarHBondContact O-CG1 3.42Å; T23-I27 PolarHBondContact O-N 3.16Å
24E94.4Very high94.8Very high4 Ų460.1 Ų60.12%0.01929%0.291CS..Hα-helixtrans-54.1-56.7172.6171.7160.9-160.900111.8L20 L22 K26 I27 L28 R195 Y228 L271 R274L20-E24 VanDerWaalsContact O-CB 3.31Å; L20-E24 WeakPolarHBondContact O-CB 3.45Å; L20-E24 PolarHBondContact O-N 3.14Å; L22-E24 VanDerWaalsContact C-N 3.3Å; L22-E24 PolarHBondContact O-N 3.14Å; E24-K26 PolarHBondContact O-N 3.34Å; E24-I27 PolarHBondContact O-N 3.48Å; E24-L28 HydrophobicContact CG-CD1 3.46Å; E24-L28 VanDerWaalsContact CG-CD1 3.46Å; E24-L28 HydrophobicContact CG-CG 4.01Å; E24-L28 VanDerWaalsContact O-CB 3.27Å; E24-L28 WeakPolarHBondContact O-CB 3.5Å; E24-L28 WeakPolarHBondContact O-CG 3.4Å; E24-L28 PolarHBondContact O-N 3.32Å; E24-R195 IonicContact OE1-CZ 2.65Å; E24-R195 IonicContact OE1-NH2 3.79Å; E24-R195 PolarHBondContact OE1-NH2 3.4Å; E24-R195 IonicContact OE2-CZ 3.39Å; E24-R195 IonicContact OE2-NH2 3.93Å; E24-R195 PolarHBondContact OE2-NH2 3.29Å; E24-Y228 WeakPolarHBondContact OE2-CE1 3.43Å; E24-Y228 PolarHBondContact OE2-OH 3.15Å; E24-L271 HydrophobicContact CB-CD1 4.28Å; E24-L271 HydrophobicContact CB-CD2 3.68Å; E24-L271 HydrophobicContact CG-CD2 3.74Å; E24-R274 WeakPolarHBondContact OE1-CD 3.42Å; E24-R274 IonicContact OE1-CZ 3.95Å; E24-R274 IonicContact OE1-NE 2.82Å; E24-R274 IonicContact OE1-NH1 3.19Å; E24-R274 PolarHBondContact OE1-NH1 3.49Å
25R94.7Very high94.7Very high102 Ų10264.7 Ų64.739%0.38531%0.308SS..Hα-helixtrans-60.3-32-178-70.4-177.4-177.5164.411.2112.7M21 L22 G29 P37 D51M21-R25 WeakPolarHBondContact O-CG 3.43Å; M21-R25 PolarHBondContact O-N 3.09Å; L22-R25 PolarHBondContact O-N 3.35Å; R25-G29 PolarHBondContact O-N 3.26Å; R25-G29 VanDerWaalsContact O-N 3.09Å; R25-P37 HydrophobicContact CB-CG 3.97Å; R25-D51 IonicContact CZ-OD2 3.8Å; R25-D51 IonicContact NH1-OD1 3.95Å; R25-D51 IonicContact NH1-OD2 2.74Å; R25-D51 PolarHBondContact NH1-OD2 3.09Å; R25-D51 IonicContact NH2-OD2 2.67Å; R25-D51 PolarHBondContact NH2-OD2 3.32Å
26K94.6Very high94.6Very high51 Ų5161.3 Ų61.322%0.22229%0.293CS..Hα-helixtrans-73.4-49.9175.7-76.7-172.5172.9-178.50112.4L22 T23 E24 G29 Y30 Y43L22-K26 PolarHBondContact O-N 3.17Å; L22-K26 VanDerWaalsContact O-N 3.09Å; T23-K26 PolarHBondContact O-N 2.83Å; E24-K26 PolarHBondContact O-N 3.34Å; K26-G29 WeakPolarHBondContact O-CA 3.33Å; K26-G29 PolarHBondContact O-N 3.48Å; K26-G29 VanDerWaalsContact O-N 3.14Å; K26-Y30 HydrophobicContact CB-CE2 4.42Å; K26-Y30 WeakPolarHBondContact O-CD2 3.45Å; K26-Y30 PolarHBondContact O-N 2.89Å; K26-Y43 WeakPolarHBondContact CE-O 3.45Å; K26-Y43 PolarHBondContact NZ-O 3.35Å
27I94.4Very high94.4Very high46 Ų4660.5 Ų60.524%0.23628%0.284CS..Hα-helixtrans-60.9-48.5-179.5-70.8166.9000109.8T23 E24 G29 Y30 M31 L271T23-I27 WeakPolarHBondContact O-CB 3.2Å; T23-I27 VanDerWaalsContact O-CG1 3.3Å; T23-I27 WeakPolarHBondContact O-CG1 3.42Å; T23-I27 PolarHBondContact O-N 3.16Å; E24-I27 PolarHBondContact O-N 3.48Å; I27-G29 VanDerWaalsContact C-N 3.3Å; I27-G29 PolarHBondContact O-N 2.9Å; I27-Y30 PolarHBondContact O-N 2.89Å; I27-M31 HydrophobicContact CG2-CE 3.55Å; I27-M31 HydrophobicContact CG2-CG 4.49Å; I27-M31 HydrophobicContact CG2-SD 3.64Å; I27-M31 WeakPolarHBondContact O-CB 3.29Å; I27-M31 WeakPolarHBondContact O-CG 3.36Å; I27-M31 PolarHBondContact O-N 3.1Å; I27-L271 HydrophobicContact CD1-CD1 3.62Å; I27-L271 HydrophobicContact CG2-CB 4.21Å
28L93.2Very high94.3Very high24 Ų2464.3 Ų64.313%0.12630%0.304CS..Hα-helixtrans-55-46.2172.6-70.6172.5000111.4E24 M31 Q32 R274 T275E24-L28 HydrophobicContact CG-CD1 3.46Å; E24-L28 VanDerWaalsContact CG-CD1 3.46Å; E24-L28 HydrophobicContact CG-CG 4.01Å; E24-L28 VanDerWaalsContact O-CB 3.27Å; E24-L28 WeakPolarHBondContact O-CB 3.5Å; E24-L28 WeakPolarHBondContact O-CG 3.4Å; E24-L28 PolarHBondContact O-N 3.32Å; L28-M31 PolarHBondContact O-N 2.99Å; L28-Q32 VanDerWaalsContact O-CB 3.31Å; L28-Q32 WeakPolarHBondContact O-CB 3.31Å; L28-Q32 WeakPolarHBondContact O-CG 3.3Å; L28-Q32 PolarHBondContact O-N 3.47Å; L28-R274 HydrophobicContact CD2-CG 4.01Å; L28-T275 HydrophobicContact CD2-CG2 3.27Å; L28-T275 HydrophobicContact CG-CG2 4.35Å
29G93.5Very high94.3Very high0 Ų069.4 Ų69.40%033%0.333CS..Hα-helixtrans-56.4-55.2178.600000111.6R25 K26 I27 M31 Q32 L33 R34R25-G29 PolarHBondContact O-N 3.26Å; R25-G29 VanDerWaalsContact O-N 3.09Å; K26-G29 WeakPolarHBondContact O-CA 3.33Å; K26-G29 PolarHBondContact O-N 3.48Å; K26-G29 VanDerWaalsContact O-N 3.14Å; I27-G29 VanDerWaalsContact C-N 3.3Å; I27-G29 PolarHBondContact O-N 2.9Å; G29-M31 PolarHBondContact O-N 3.19Å; G29-Q32 CarbonylContact O-C 3.55Å; G29-Q32 PolarHBondContact O-N 2.97Å; G29-Q32 VanDerWaalsContact O-N 3.1Å; G29-L33 PolarHBondContact O-N 3.31Å; G29-R34 CarbonylContact C-O 3.37Å; G29-R34 CarbonylContact O-C 3.6Å; G29-R34 WeakPolarHBondContact O-CG 3.21Å; G29-R34 PolarHBondContact O-N 2.87Å
30Y95.3Very high94Very high149 Ų14968.8 Ų68.858%0.58434%0.335SS*.Hα-helixtrans-63.7-39.2-177.7-73.7-65.2000112.7K26 I27 Q32 L33 R34K26-Y30 HydrophobicContact CB-CE2 4.42Å; K26-Y30 WeakPolarHBondContact O-CD2 3.45Å; K26-Y30 PolarHBondContact O-N 2.89Å; I27-Y30 PolarHBondContact O-N 2.89Å; Y30-Q32 VanDerWaalsContact C-N 3.25Å; Y30-Q32 PolarHBondContact O-N 3.27Å; Y30-L33 PolarHBondContact O-N 3.48Å; Y30-L33 VanDerWaalsContact O-N 3.14Å; Y30-R34 PolarHBondContact N-O 2.92Å
31M94Very high93.7Very high82 Ų8269.4 Ų69.440%0.40434%0.344SS..Hα-helixtrans-65.2-30.5175.2-71.8172.8173.700112.4I27 L28 G29 L33 W272 T275I27-M31 HydrophobicContact CG2-CE 3.55Å; I27-M31 HydrophobicContact CG2-CG 4.49Å; I27-M31 HydrophobicContact CG2-SD 3.64Å; I27-M31 WeakPolarHBondContact O-CB 3.29Å; I27-M31 WeakPolarHBondContact O-CG 3.36Å; I27-M31 PolarHBondContact O-N 3.1Å; L28-M31 PolarHBondContact O-N 2.99Å; G29-M31 PolarHBondContact O-N 3.19Å; M31-L33 VanDerWaalsContact C-N 3.29Å; M31-L33 PolarHBondContact O-N 3.37Å; M31-W272 HydrophobicContact CE-CB 3.72Å; M31-W272 HydrophobicContact CE-CG 3.73Å; M31-W272 HydrophobicContact SD-CB 4.46Å; M31-W272 HydrophobicContact SD-CG 4.47Å; M31-T275 HydrophobicContact CB-CG2 3.92Å; M31-T275 HydrophobicContact CG-CG2 4.36Å; M31-T275 HydrophobicContact SD-CG2 3.51Å; M31-T275 VanDerWaalsContact SD-CG2 3.51Å; M31-T275 PolarHBondContact SD-OG1 3.43Å
32Q93.6Very high93.7Very high103 Ų10371.6 Ų71.648%0.48136%0.362SS..THydrogen-bonded Turntrans-89.316.5175.1-66.5173.6-8.700113.4L28 G29 Y30 R34L28-Q32 VanDerWaalsContact O-CB 3.31Å; L28-Q32 WeakPolarHBondContact O-CB 3.31Å; L28-Q32 WeakPolarHBondContact O-CG 3.3Å; L28-Q32 PolarHBondContact O-N 3.47Å; G29-Q32 CarbonylContact O-C 3.55Å; G29-Q32 PolarHBondContact O-N 2.97Å; G29-Q32 VanDerWaalsContact O-N 3.1Å; Y30-Q32 VanDerWaalsContact C-N 3.25Å; Y30-Q32 PolarHBondContact O-N 3.27Å; Q32-R34 HydrophobicContact CB-CG 4.2Å; Q32-R34 PolarHBondContact O-N 3.23Å; Q32-R34 VanDerWaalsContact OE1-CZ 3.31Å
33L95.5Very high93.6Very high173 Ų17380 Ų8091%0.90639%0.394SS*.THydrogen-bonded Turntrans56.829.4-179-60.3171.3000114.4G29 Y30 M31G29-L33 PolarHBondContact O-N 3.31Å; Y30-L33 PolarHBondContact O-N 3.48Å; Y30-L33 VanDerWaalsContact O-N 3.14Å; M31-L33 VanDerWaalsContact C-N 3.29Å; M31-L33 PolarHBondContact O-N 3.37Å
34R96Very high93.4Very high132 Ų13277.1 Ų77.150%0.49838%0.376SS..SBendtrans-128.9171.6174.164.9-178.2180910.3111.2G29 Y30 Q32G29-R34 CarbonylContact C-O 3.37Å; G29-R34 CarbonylContact O-C 3.6Å; G29-R34 WeakPolarHBondContact O-CG 3.21Å; G29-R34 PolarHBondContact O-N 2.87Å; Y30-R34 PolarHBondContact N-O 2.92Å; Q32-R34 HydrophobicContact CB-CG 4.2Å; Q32-R34 PolarHBondContact O-N 3.23Å; Q32-R34 VanDerWaalsContact OE1-CZ 3.31Å
35K92.8Very high93.4Very high152 Ų15281 Ų8166%0.66140%0.397SS*.  trans-91141.4174.1-67.1-177.6-179178.10110.3
36G93.5Very high93.4Very high9 Ų980.5 Ų80.59%0.09340%0.401CS..  trans-73.9-173.116500000112.1N38G36-N38 PolarHBondContact O-N 3Å; G36-N38 VanDerWaalsContact O-N 3.16Å
37P92.6Very high93.5Very high29 Ų2979.6 Ų79.619%0.18840%0.398CS..SBendtrans-56.4120.4178.6-22.232.1000111.4L22 R25 Q47L22-P37 HydrophobicContact CD1-CB 4.32Å; L22-P37 HydrophobicContact CD1-CG 4.47Å; R25-P37 HydrophobicContact CB-CG 3.97Å; P37-Q47 HydrophobicContact CB-CB 4.4Å; P37-Q47 HydrophobicContact CB-CG 4.08Å; P37-Q47 HydrophobicContact CG-CG 4.31Å
38N93.4Very high93.4Very high86 Ų8677.6 Ų77.646%0.4639%0.388SS..  trans-132.2-6.6-179.864.3-17.7000113.7G36G36-N38 PolarHBondContact O-N 3Å; G36-N38 VanDerWaalsContact O-N 3.16Å
39V93.1Very high93.4Very high126 Ų12681.3 Ų81.376%0.76440%0.403SS*.SBendtrans-90.6-44.3-175.6-175.80000112.5G41V39-G41 PolarHBondContact O-N 2.95Å
40V89.4Confident93.4Very high56 Ų5683.2 Ų83.234%0.33942%0.419SS..SBendtrans-7788.6-176-175.70000110G44 L46 Q47 A50V40-G44 CarbonylContact O-C 3.52Å; V40-G44 VanDerWaalsContact O-C 3.31Å; V40-G44 WeakPolarHBondContact O-CA 3.28Å; V40-L46 HydrophobicContact CG1-CB 4.3Å; V40-L46 PolarHBondContact O-N 3.31Å; V40-Q47 VanDerWaalsContact CG2-OE1 3.26Å; V40-A50 HydrophobicContact CG1-CB 3.96Å
41G90.9Very high93.3Very high24 Ų2477.5 Ų77.525%0.24740%0.398CS..SBendtrans83.6173-175.600000113.7V39 Y43 G44V39-G41 PolarHBondContact O-N 2.95Å; G41-Y43 PolarHBondContact O-N 3.45Å; G41-Y43 VanDerWaalsContact O-N 3.11Å; G41-G44 PolarHBondContact O-N 3.43Å
42P93Very high93.2Very high88 Ų8875.5 Ų75.557%0.57140%0.395SS*.G310 helixtrans-60.2118.4-179.325.3-33000109.7G44 L45P42-G44 PolarHBondContact O-N 2.94Å; P42-G44 VanDerWaalsContact O-N 3.1Å; P42-L45 WeakPolarHBondContact O-CG 3.33Å; P42-L45 PolarHBondContact O-N 2.89Å
43Y91.8Very high93.2Very high184 Ų18477.2 Ų77.272%0.72241%0.405SS*.G310 helixtrans5228.3-173.6-57.9-80.2000114.2K26 G41 L45K26-Y43 WeakPolarHBondContact CE-O 3.45Å; K26-Y43 PolarHBondContact NZ-O 3.35Å; G41-Y43 PolarHBondContact O-N 3.45Å; G41-Y43 VanDerWaalsContact O-N 3.11Å; Y43-L45 VanDerWaalsContact C-N 3.32Å; Y43-L45 PolarHBondContact O-N 3.47Å
44G92.5Very high93.1Very high0 Ų075.5 Ų75.50%039%0.39CS..G310 helixtrans76.79.8178.700000115.6L22 V40 G41 P42 L46 Q47L22-G44 WeakPolarHBondContact CD1-O 3.27Å; L22-G44 WeakPolarHBondContact CD2-O 3.39Å; V40-G44 CarbonylContact O-C 3.52Å; V40-G44 VanDerWaalsContact O-C 3.31Å; V40-G44 WeakPolarHBondContact O-CA 3.28Å; G41-G44 PolarHBondContact O-N 3.43Å; P42-G44 PolarHBondContact O-N 2.94Å; P42-G44 VanDerWaalsContact O-N 3.1Å; G44-L46 PolarHBondContact O-N 3.12Å; G44-L46 VanDerWaalsContact O-N 3.14Å; G44-Q47 WeakPolarHBondContact O-CB 3.42Å; G44-Q47 PolarHBondContact O-N 3.43Å
45L93.9Very high92.8Very high86 Ų8671.4 Ų71.445%0.4538%0.378SS..THydrogen-bonded Turntrans-58.6-26.6-177.6-75.1171.2000113.8F19 L22 P42 Y43 Q47 P48F19-L45 HydrophobicContact CE1-CD2 4.19Å; L22-L45 HydrophobicContact CD2-CD2 4.23Å; P42-L45 WeakPolarHBondContact O-CG 3.33Å; P42-L45 PolarHBondContact O-N 2.89Å; Y43-L45 VanDerWaalsContact C-N 3.32Å; Y43-L45 PolarHBondContact O-N 3.47Å; L45-Q47 VanDerWaalsContact C-N 3.35Å; L45-P48 WeakPolarHBondContact O-CD 3.38Å
46L94.6Very high92.7Very high91 Ų9170.2 Ų70.248%0.47637%0.373SS..THydrogen-bonded Turntrans-88.6-1.6179.8-64.2175.2000113.3V40 G44 F49 A50V40-L46 HydrophobicContact CG1-CB 4.3Å; V40-L46 PolarHBondContact O-N 3.31Å; G44-L46 PolarHBondContact O-N 3.12Å; G44-L46 VanDerWaalsContact O-N 3.14Å; L46-F49 HydrophobicContact CD2-CD2 4.18Å; L46-F49 PolarHBondContact O-N 2.98Å; L46-A50 PolarHBondContact O-N 2.91Å; L46-A50 VanDerWaalsContact O-N 3.13Å
47Q95.6Very high92.7Very high31 Ų3175.4 Ų75.415%0.14540%0.403CS..Hα-helixtrans-57.2-45-179.5-173.371.246.700113.5L22 P37 V40 G44 L45 F49 A50 D51L22-Q47 HydrophobicContact CD1-CB 4.11Å; P37-Q47 HydrophobicContact CB-CB 4.4Å; P37-Q47 HydrophobicContact CB-CG 4.08Å; P37-Q47 HydrophobicContact CG-CG 4.31Å; V40-Q47 VanDerWaalsContact CG2-OE1 3.26Å; G44-Q47 WeakPolarHBondContact O-CB 3.42Å; G44-Q47 PolarHBondContact O-N 3.43Å; L45-Q47 VanDerWaalsContact C-N 3.35Å; Q47-F49 VanDerWaalsContact C-N 3.29Å; Q47-F49 PolarHBondContact O-N 3.45Å; Q47-A50 PolarHBondContact O-N 3.19Å; Q47-D51 PolarHBondContact NE2-OD1 2.66Å; Q47-D51 PolarHBondContact O-N 3.11Å
48P93.8Very high92.7Very high5 Ų579.9 Ų79.93%0.03242%0.419CS..Hα-helixtrans-62.6-36.8-178.9-2436.2000112.9A18 L22 L45 D51 A52A18-P48 HydrophobicContact CB-CB 3.89Å; A18-P48 VanDerWaalsContact O-CB 3.29Å; A18-P48 WeakPolarHBondContact O-CB 3.39Å; A18-P48 WeakPolarHBondContact O-CG 3.5Å; L22-P48 HydrophobicContact CB-CG 3.87Å; L45-P48 WeakPolarHBondContact O-CD 3.38Å; P48-D51 PolarHBondContact O-N 3.42Å; P48-A52 WeakPolarHBondContact O-CB 3.39Å; P48-A52 PolarHBondContact O-N 3Å
49F92.8Very high92.5Very high102 Ų10282.9 Ų82.945%0.44743%0.431SS..Hα-helixtrans-68.5-39.3177.3-63-72.2000111.8F19 L46 Q47 A52 M53F19-F49 HydrophobicContact CZ-CE2 4.16Å; L46-F49 HydrophobicContact CD2-CD2 4.18Å; L46-F49 PolarHBondContact O-N 2.98Å; Q47-F49 VanDerWaalsContact C-N 3.29Å; Q47-F49 PolarHBondContact O-N 3.45Å; F49-A52 PolarHBondContact O-N 3.34Å; F49-M53 WeakPolarHBondContact O-CG 3.07Å; F49-M53 PolarHBondContact O-N 3.46Å
50A94.2Very high92.1Very high40 Ų4080.3 Ų80.333%0.33142%0.417SS..Hα-helixtrans-64-42.3174.500000111.8V40 L46 Q47 M53 K54V40-A50 HydrophobicContact CG1-CB 3.96Å; L46-A50 PolarHBondContact O-N 2.91Å; L46-A50 VanDerWaalsContact O-N 3.13Å; Q47-A50 PolarHBondContact O-N 3.19Å; A50-M53 PolarHBondContact O-N 3.26Å; A50-K54 VanDerWaalsContact O-CB 3.3Å; A50-K54 WeakPolarHBondContact O-CB 3.45Å; A50-K54 PolarHBondContact O-N 2.98Å
51D92.3Very high91.8Very high28 Ų2882.8 Ų82.815%0.1543%0.427CS..Hα-helixtrans-65.4-42177.2-72.91.8000111.1R25 Q47 P48 K54 L55R25-D51 IonicContact CZ-OD2 3.8Å; R25-D51 IonicContact NH1-OD1 3.95Å; R25-D51 IonicContact NH1-OD2 2.74Å; R25-D51 PolarHBondContact NH1-OD2 3.09Å; R25-D51 IonicContact NH2-OD2 2.67Å; R25-D51 PolarHBondContact NH2-OD2 3.32Å; Q47-D51 PolarHBondContact NE2-OD1 2.66Å; Q47-D51 PolarHBondContact O-N 3.11Å; P48-D51 PolarHBondContact O-N 3.42Å; D51-K54 PolarHBondContact O-N 3.22Å; D51-L55 WeakPolarHBondContact O-CG 3.45Å; D51-L55 PolarHBondContact O-N 2.86Å
52A91.6Very high91.5Very high40 Ų4088 Ų8833%0.33144%0.443SS..Hα-helixtrans-61.7-50.5175.400000111.8P48 F49 K54 L55 F56P48-A52 WeakPolarHBondContact O-CB 3.39Å; P48-A52 PolarHBondContact O-N 3Å; F49-A52 PolarHBondContact O-N 3.34Å; A52-K54 VanDerWaalsContact C-N 3.3Å; A52-K54 PolarHBondContact O-N 3.49Å; A52-L55 PolarHBondContact O-N 2.87Å; A52-F56 WeakPolarHBondContact O-CD2 3.26Å; A52-F56 PolarHBondContact O-N 3.44Å
53M93Very high90.9Very high140 Ų14084.9 Ų84.969%0.6942%0.423SS*.Hα-helixtrans-59.3-41.7176.8-74.4-162.5-164.100111.9F49 A50 L55 F56 T57F49-M53 WeakPolarHBondContact O-CG 3.07Å; F49-M53 PolarHBondContact O-N 3.46Å; A50-M53 PolarHBondContact O-N 3.26Å; M53-L55 PolarHBondContact O-N 2.99Å; M53-F56 PolarHBondContact O-N 2.64Å; M53-T57 WeakPolarHBondContact O-CB 3.37Å; M53-T57 VanDerWaalsContact O-CG2 3.23Å; M53-T57 WeakPolarHBondContact O-CG2 3.35Å; M53-T57 PolarHBondContact O-N 3.35Å; M53-T57 PolarHBondContact O-OG1 2.98Å
54K93.5Very high90.5Very high136 Ų13681.5 Ų81.559%0.59143%0.433SS*.Hα-helixtrans-59-45.5176.4178.3-173.8175.2-175.30111.9A50 D51 A52 T57 K58A50-K54 VanDerWaalsContact O-CB 3.3Å; A50-K54 WeakPolarHBondContact O-CB 3.45Å; A50-K54 PolarHBondContact O-N 2.98Å; D51-K54 PolarHBondContact O-N 3.22Å; A52-K54 VanDerWaalsContact C-N 3.3Å; A52-K54 PolarHBondContact O-N 3.49Å; K54-T57 PolarHBondContact O-OG1 3.23Å; K54-K58 WeakPolarHBondContact O-CB 3.25Å; K54-K58 PolarHBondContact O-N 2.94Å
55L91.3Very high90Very high46 Ų4685.6 Ų85.624%0.24146%0.458CS..Hα-helixtrans-70.1-35.6-177.3-71.2170.1000112.5D51 A52 M53 A217 G218 F220 A221D51-L55 WeakPolarHBondContact O-CG 3.45Å; D51-L55 PolarHBondContact O-N 2.86Å; A52-L55 PolarHBondContact O-N 2.87Å; M53-L55 PolarHBondContact O-N 2.99Å; L55-A217 CarbonylContact O-C 2.87Å; L55-A217 WeakPolarHBondContact O-CA 3.04Å; L55-A217 WeakPolarHBondContact O-CB 3.46Å; L55-G218 PolarHBondContact O-N 3.31Å; L55-F220 HydrophobicContact CD2-CD1 4.3Å; L55-A221 HydrophobicContact CB-CB 4.16Å; L55-A221 HydrophobicContact CD1-CB 3.85Å
56F90.8Very high89.6Confident128 Ų12882.1 Ų82.156%0.56144%0.441SS*.Hα-helixtrans-80.8-24.1179.2-71.7-62000114.3A52 M53 M225A52-F56 WeakPolarHBondContact O-CD2 3.26Å; A52-F56 PolarHBondContact O-N 3.44Å; M53-F56 PolarHBondContact O-N 2.64Å; F56-M225 HydrophobicContact CZ-CE 4.33Å
57T92.9Very high89.4Confident118 Ų11880.3 Ų80.372%0.72443%0.434SS*.Hα-helixtrans-84-20.5175.252.20000113M53 K54M53-T57 WeakPolarHBondContact O-CB 3.37Å; M53-T57 VanDerWaalsContact O-CG2 3.23Å; M53-T57 WeakPolarHBondContact O-CG2 3.35Å; M53-T57 PolarHBondContact O-N 3.35Å; M53-T57 PolarHBondContact O-OG1 2.98Å; K54-T57 PolarHBondContact O-OG1 3.23Å
58K92.2Very high89Confident122 Ų12284 Ų8453%0.5345%0.453SS..SBendtrans-71.5142.2179.6-167.4173.9-176.4-173.30110.7K54 A217K54-K58 WeakPolarHBondContact O-CB 3.25Å; K54-K58 PolarHBondContact O-N 2.94Å; K58-A217 HydrophobicContact CB-CB 3.8Å; K58-A217 HydrophobicContact CG-CB 4.2Å; K58-A217 VanDerWaalsContact O-CB 3.3Å; K58-A217 WeakPolarHBondContact O-CB 2.96Å
59E89Confident88.9Confident150 Ų15088.8 Ų88.870%0.70148%0.482SS*.  trans-59127.9178.8-172.5177.9175.500111.3L61E59-L61 PolarHBondContact O-N 3.38Å
60P85.7Confident88.9Confident72 Ų7285.7 Ų85.747%0.46847%0.47SS..  trans-74.7108.6174.129.3-32000110K62P60-K62 PolarHBondContact O-N 3.24Å
61L83.3Confident88.7Confident108 Ų10884 Ų8457%0.56546%0.456SS*.  trans-70124.6171.4-68.8161.4000109.7E59 Y71 A216E59-L61 PolarHBondContact O-N 3.38Å; L61-Y71 PolarHBondContact O-OH 2.79Å; L61-A216 HydrophobicContact CB-CB 3.7Å; L61-A216 HydrophobicContact CD1-CB 3.81Å; L61-A216 HydrophobicContact CG-CB 4Å
62K82.9Confident88.7Confident134 Ų13486.7 Ų86.758%0.58347%0.469SS*.  trans-112.9110.8170.7-70-176.6-179178.60108.2P60P60-K62 PolarHBondContact O-N 3.24Å
63P82.2Confident88.8Confident22 Ų2287.5 Ų87.514%0.14347%0.47CS..  trans-64137.4179.4-13.223.3000110.9T65 S66 Y71 E214P63-T65 PolarHBondContact O-N 2.85Å; P63-S66 WeakPolarHBondContact O-CB 3.34Å; P63-S66 PolarHBondContact O-N 3.19Å; P63-S66 PolarHBondContact O-OG 3.1Å; P63-Y71 HydrophobicContact CG-CE2 4.27Å; P63-E214 HydrophobicContact CG-CB 3.81Å; P63-E214 HydrophobicContact CG-CG 4.28Å
64A81.6Confident88.8Confident112 Ų11280.9 Ų80.993%0.92644%0.437SS*.THydrogen-bonded Turntrans-65.1-26.8179.200000113.1S66A64-S66 VanDerWaalsContact C-N 3.31Å
65T83.7Confident88.9Confident86 Ų8674.5 Ų74.553%0.52841%0.409SS..THydrogen-bonded Turntrans-84.3-4.6179.750.30000113.4P63 N124P63-T65 PolarHBondContact O-N 2.85Å; T65-N124 WeakPolarHBondContact O-CB 3.38Å; T65-N124 PolarHBondContact O-ND2 3.44Å
66S84.8Confident89Confident13 Ų1375.4 Ų75.49%0.09142%0.417CS..SBendtrans-82.6147.8-171.368.10000113.5P63 A64 I68 A122P63-S66 WeakPolarHBondContact O-CB 3.34Å; P63-S66 PolarHBondContact O-N 3.19Å; P63-S66 PolarHBondContact O-OG 3.1Å; A64-S66 VanDerWaalsContact C-N 3.31Å; S66-I68 PolarHBondContact O-N 3.08Å; S66-A122 CarbonylContact C-O 3.56Å; S66-A122 WeakPolarHBondContact CA-O 3.45Å; S66-A122 WeakPolarHBondContact CB-O 3.23Å
67T90.5Very high89.3Confident54 Ų5471.3 Ų71.333%0.33140%0.401SS..  trans-79.7102166.953.70000109.1T69 L70 Y71 W121 A122T67-T69 VanDerWaalsContact C-N 3.28Å; T67-T69 PolarHBondContact O-N 2.59Å; T67-L70 PolarHBondContact O-N 3.26Å; T67-Y71 WeakPolarHBondContact O-CB 3.23Å; T67-Y71 PolarHBondContact O-N 3.2Å; T67-W121 HydrophobicContact CG2-CZ3 4.27Å; T67-A122 PolarHBondContact N-O 3.12Å; T67-A122 WeakPolarHBondContact OG1-CA 3.45Å
68I87.8Confident89.4Confident109 Ų10966 Ų6656%0.55937%0.369SS*.Hα-helixtrans-56.6-39.4-168.2-65.7150.7000112.9S66 Y71 I72S66-I68 PolarHBondContact O-N 3.08Å; I68-Y71 PolarHBondContact O-N 3.43Å; I68-I72 HydrophobicContact CG2-CD1 3.8Å; I68-I72 WeakPolarHBondContact O-CG1 3.15Å; I68-I72 PolarHBondContact O-N 2.87Å; I68-I72 VanDerWaalsContact O-N 3.12Å
69T91.4Very high89.5Confident104 Ų10461.6 Ų61.664%0.63835%0.351SS*.Hα-helixtrans-61.7-53.4-178.450.10000111.1T67 I72 T73T67-T69 VanDerWaalsContact C-N 3.28Å; T67-T69 PolarHBondContact O-N 2.59Å; T69-I72 PolarHBondContact O-N 3.22Å; T69-T73 VanDerWaalsContact O-CG2 3.28Å; T69-T73 WeakPolarHBondContact O-CG2 3.41Å; T69-T73 PolarHBondContact O-N 2.96Å; T69-T73 PolarHBondContact O-OG1 3.41Å
70L91.8Very high89.9Confident37 Ų3758 Ų5819%0.19434%0.34CS..Hα-helixtrans-68.6-35.5-179.9-67.3175.4000112.5T67 I72 T73 A74 W118 W121 A122T67-L70 PolarHBondContact O-N 3.26Å; L70-I72 VanDerWaalsContact C-N 3.28Å; L70-I72 PolarHBondContact O-N 3.13Å; L70-T73 WeakPolarHBondContact CA-OG1 3.38Å; L70-T73 PolarHBondContact O-N 3.35Å; L70-T73 PolarHBondContact O-OG1 3.33Å; L70-A74 VanDerWaalsContact O-CB 3.28Å; L70-A74 WeakPolarHBondContact O-CB 3.44Å; L70-A74 PolarHBondContact O-N 3.13Å; L70-W118 HydrophobicContact CD2-CD2 3.9Å; L70-W118 HydrophobicContact CD2-CE3 3.98Å; L70-W118 HydrophobicContact CD2-CG 4.16Å; L70-W121 HydrophobicContact CD1-CE3 3.39Å; L70-W121 HydrophobicContact CD1-CZ3 3.35Å; L70-A122 HydrophobicContact CB-CB 3.65Å
71Y90.4Very high90.4Very high6 Ų655.2 Ų55.22%0.02432%0.321CS..Hα-helixtrans-62.4-36.5178-173.4-94.6000112.1L61 P63 T67 I68 P75 E214 Y215L61-Y71 PolarHBondContact O-OH 2.79Å; P63-Y71 HydrophobicContact CG-CE2 4.27Å; T67-Y71 WeakPolarHBondContact O-CB 3.23Å; T67-Y71 PolarHBondContact O-N 3.2Å; I68-Y71 PolarHBondContact O-N 3.43Å; Y71-P75 WeakPolarHBondContact O-CD 3.46Å; Y71-E214 HydrophobicContact CE2-CB 4.43Å; Y71-E214 PolarHBondContact OH-O 3.17Å; Y71-Y215 WeakPolarHBondContact CA-OH 3.25Å; Y71-Y215 HydrophobicContact CD1-CE1 4.14Å; Y71-Y215 HydrophobicContact CD2-CD1 4.28Å; Y71-Y215 AromaticContact CD2-CE1 3.55Å; Y71-Y215 HydrophobicContact CD2-CE1 3.55Å; Y71-Y215 AromaticContact CD2-CE2 4Å; Y71-Y215 HydrophobicContact CD2-CE2 4Å; Y71-Y215 AromaticContact CD2-CZ 3.38Å; Y71-Y215 WeakPolarHBondContact CD2-OH 3.28Å; Y71-Y215 HydrophobicContact CE1-CD1 4.15Å; Y71-Y215 HydrophobicContact CE1-CE1 4.01Å; Y71-Y215 AromaticContact CE2-CD1 3.63Å; Y71-Y215 HydrophobicContact CE2-CD1 3.63Å; Y71-Y215 AromaticContact CE2-CD2 3.98Å; Y71-Y215 HydrophobicContact CE2-CD2 3.98Å; Y71-Y215 AromaticContact CE2-CE1 3.37Å; Y71-Y215 HydrophobicContact CE2-CE1 3.37Å; Y71-Y215 AromaticContact CE2-CE2 3.75Å; Y71-Y215 HydrophobicContact CE2-CE2 3.75Å; Y71-Y215 AromaticContact CE2-CG 3.94Å; Y71-Y215 HydrophobicContact CE2-CG 3.94Å; Y71-Y215 AromaticContact CE2-CZ 3.44Å; Y71-Y215 VanDerWaalsContact CE2-CZ 3.44Å; Y71-Y215 AromaticContact CG-CE1 3.93Å; Y71-Y215 HydrophobicContact CG-CE1 3.93Å; Y71-Y215 AromaticContact CZ-CD1 3.57Å; Y71-Y215 AromaticContact CZ-CE1 3.64Å; Y71-Y215 WeakPolarHBondContact O-CE1 3.45Å; Y71-Y215 PolarHBondContact O-OH 2.88Å; Y71-Y215 WeakPolarHBondContact OH-CA 3.42Å
72I91.4Very high91Very high84 Ų8450.1 Ų50.143%0.43129%0.294SS..Hα-helixtrans-81.3-37.6177.4-64170000111.2I68 T69 L70I68-I72 HydrophobicContact CG2-CD1 3.8Å; I68-I72 WeakPolarHBondContact O-CG1 3.15Å; I68-I72 PolarHBondContact O-N 2.87Å; I68-I72 VanDerWaalsContact O-N 3.12Å; T69-I72 PolarHBondContact O-N 3.22Å; L70-I72 VanDerWaalsContact C-N 3.28Å; L70-I72 PolarHBondContact O-N 3.13Å
73T93.8Very high91.7Very high57 Ų5745.2 Ų45.235%0.3527%0.274SS..Hα-helixtrans-74.5-35.5-176.257.90000112.9T69 L70 T76 L77T69-T73 VanDerWaalsContact O-CG2 3.28Å; T69-T73 WeakPolarHBondContact O-CG2 3.41Å; T69-T73 PolarHBondContact O-N 2.96Å; T69-T73 PolarHBondContact O-OG1 3.41Å; L70-T73 WeakPolarHBondContact CA-OG1 3.38Å; L70-T73 PolarHBondContact O-N 3.35Å; L70-T73 PolarHBondContact O-OG1 3.33Å; T73-T76 WeakPolarHBondContact CA-OG1 3.32Å; T73-T76 PolarHBondContact O-N 3.37Å; T73-T76 PolarHBondContact O-OG1 3.3Å; T73-L77 WeakPolarHBondContact O-CB 3.41Å; T73-L77 PolarHBondContact O-N 3.01Å
74A94.1Very high92.3Very high0 Ų048.1 Ų48.10%029%0.287CS..Hα-helixtrans-57.8-49.6-174.200000114.1L70 T76 L77 A78 W118 F223L70-A74 VanDerWaalsContact O-CB 3.28Å; L70-A74 WeakPolarHBondContact O-CB 3.44Å; L70-A74 PolarHBondContact O-N 3.13Å; A74-T76 VanDerWaalsContact C-N 3.34Å; A74-T76 PolarHBondContact O-N 3.16Å; A74-L77 PolarHBondContact O-N 3.26Å; A74-A78 PolarHBondContact O-N 3.07Å; A74-W118 HydrophobicContact CB-CB 3.96Å; A74-F223 HydrophobicContact CB-CZ 4.17Å
75P94.3Very high93Very high2 Ų242.8 Ų42.81%0.01324%0.244CC..Hα-helixtrans-65.4-36177.1-12.622.3000113Y71 A78 L79 Y215 P219 L222 F223Y71-P75 WeakPolarHBondContact O-CD 3.46Å; P75-A78 PolarHBondContact O-N 3.43Å; P75-L79 PolarHBondContact O-N 2.88Å; P75-Y215 HydrophobicContact CG-CD1 4.03Å; P75-Y215 HydrophobicContact CG-CE1 3.56Å; P75-P219 HydrophobicContact CG-CB 4.14Å; P75-L222 HydrophobicContact CB-CB 3.71Å; P75-L222 HydrophobicContact CB-CD1 3.85Å; P75-L222 HydrophobicContact CB-CG 4.44Å; P75-F223 HydrophobicContact CB-CD2 4.14Å; P75-F223 HydrophobicContact CB-CE2 3.83Å; P75-F223 HydrophobicContact CB-CZ 4.03Å; P75-F223 HydrophobicContact CG-CD2 4.27Å; P75-F223 HydrophobicContact CG-CE2 3.57Å; P75-F223 HydrophobicContact CG-CZ 3.88Å
76T94.8Very high93.6Very high65 Ų6539.4 Ų39.440%0.39922%0.221SC..Hα-helixtrans-66.3-40.9176.9620000111.1T73 A74 L79 T80 L222T73-T76 WeakPolarHBondContact CA-OG1 3.32Å; T73-T76 PolarHBondContact O-N 3.37Å; T73-T76 PolarHBondContact O-OG1 3.3Å; A74-T76 VanDerWaalsContact C-N 3.34Å; A74-T76 PolarHBondContact O-N 3.16Å; T76-L79 PolarHBondContact O-N 3.08Å; T76-T80 VanDerWaalsContact O-CG2 3.24Å; T76-T80 WeakPolarHBondContact O-CG2 3.18Å; T76-T80 PolarHBondContact O-N 2.74Å; T76-T80 PolarHBondContact O-OG1 3.38Å; T76-L222 HydrophobicContact CG2-CD1 4.4Å
77L96.1Very high94.1Very high43 Ų4339.9 Ų39.923%0.22522%0.223CC..Hα-helixtrans-64.1-44.1177.8-170.9139.9000110.7T73 A74 L79 T80 I81 W118T73-L77 WeakPolarHBondContact O-CB 3.41Å; T73-L77 PolarHBondContact O-N 3.01Å; A74-L77 PolarHBondContact O-N 3.26Å; L77-L79 PolarHBondContact O-N 3.38Å; L77-T80 WeakPolarHBondContact CA-OG1 3.29Å; L77-T80 PolarHBondContact O-N 3.02Å; L77-T80 PolarHBondContact O-OG1 3.47Å; L77-I81 HydrophobicContact CD2-CD1 3.37Å; L77-I81 HydrophobicContact CD2-CG1 4.33Å; L77-I81 HydrophobicContact CG-CD1 3.99Å; L77-I81 WeakPolarHBondContact O-CG1 3.38Å; L77-I81 PolarHBondContact O-N 3.14Å; L77-W118 HydrophobicContact CD1-CE3 4.43Å; L77-W118 HydrophobicContact CD1-CH2 4.21Å; L77-W118 HydrophobicContact CD1-CZ3 3.73Å
78A95.1Very high94.3Very high6 Ų637.4 Ų37.45%0.0521%0.209CC..Hα-helixtrans-53.6-51.617500000112.2A74 P75 A82 F223 A226A74-A78 PolarHBondContact O-N 3.07Å; P75-A78 PolarHBondContact O-N 3.43Å; A78-A82 WeakPolarHBondContact O-CB 3.27Å; A78-A82 PolarHBondContact O-N 3.49Å; A78-F223 HydrophobicContact CB-CD1 3.85Å; A78-F223 HydrophobicContact CB-CE1 3.85Å; A78-A226 HydrophobicContact CB-CB 3.9Å
79L95.8Very high94.6Very high30 Ų3032.5 Ų32.516%0.15718%0.183CC..Hα-helixtrans-66.7-41.3-179.9-174.171000112P75 T76 L77 I81 A82 L83 L222 M225P75-L79 PolarHBondContact O-N 2.88Å; T76-L79 PolarHBondContact O-N 3.08Å; L77-L79 PolarHBondContact O-N 3.38Å; L79-I81 PolarHBondContact O-N 3.32Å; L79-A82 PolarHBondContact O-N 3.26Å; L79-L83 HydrophobicContact CD1-CD1 4.48Å; L79-L83 HydrophobicContact CG-CD1 4.11Å; L79-L83 HydrophobicContact CG-CG 4.49Å; L79-L83 WeakPolarHBondContact O-CG 3.02Å; L79-L83 PolarHBondContact O-N 2.78Å; L79-L222 HydrophobicContact CD2-CD2 3.68Å; L79-M225 HydrophobicContact CD1-CB 4.02Å
80T96.4Very high94.6Very high75 Ų7527.5 Ų27.546%0.4615%0.153SC..Hα-helixtrans-62.1-43.2-179.955.90000112T76 L77 L83 L84T76-T80 VanDerWaalsContact O-CG2 3.24Å; T76-T80 WeakPolarHBondContact O-CG2 3.18Å; T76-T80 PolarHBondContact O-N 2.74Å; T76-T80 PolarHBondContact O-OG1 3.38Å; L77-T80 WeakPolarHBondContact CA-OG1 3.29Å; L77-T80 PolarHBondContact O-N 3.02Å; L77-T80 PolarHBondContact O-OG1 3.47Å; T80-L83 PolarHBondContact O-N 3.44Å; T80-L84 WeakPolarHBondContact O-CB 3.13Å; T80-L84 VanDerWaalsContact O-CG 3.24Å; T80-L84 WeakPolarHBondContact O-CG 3.21Å; T80-L84 PolarHBondContact O-N 2.89Å
81I96.6Very high94.5Very high13 Ų1328.7 Ų28.77%0.06716%0.158CC..Hα-helixtrans-65.5-45.1177-66.2175.6000110.2L77 L79 L83 L84 L85 T108 L111 A112L77-I81 HydrophobicContact CD2-CD1 3.37Å; L77-I81 HydrophobicContact CD2-CG1 4.33Å; L77-I81 HydrophobicContact CG-CD1 3.99Å; L77-I81 WeakPolarHBondContact O-CG1 3.38Å; L77-I81 PolarHBondContact O-N 3.14Å; L79-I81 PolarHBondContact O-N 3.32Å; I81-L83 PolarHBondContact O-N 3.45Å; I81-L84 PolarHBondContact O-N 3.38Å; I81-L84 VanDerWaalsContact O-N 3.12Å; I81-L85 HydrophobicContact CG2-CD1 4.05Å; I81-L85 WeakPolarHBondContact O-CG 3.47Å; I81-L85 PolarHBondContact O-N 3.03Å; I81-L85 VanDerWaalsContact O-N 3.11Å; I81-T108 VanDerWaalsContact CG2-O 3.24Å; I81-T108 WeakPolarHBondContact CG2-O 3.44Å; I81-L111 HydrophobicContact CD1-CB 3.82Å; I81-L111 WeakPolarHBondContact CD1-O 3.44Å; I81-A112 HydrophobicContact CG2-CB 3.97Å
82A96.2Very high94.4Very high0 Ų028.9 Ų28.90%016%0.16CC..Hα-helixtrans-59.4-35179.800000112.7A78 L79 W86 A226 T229 N230A78-A82 WeakPolarHBondContact O-CB 3.27Å; A78-A82 PolarHBondContact O-N 3.49Å; L79-A82 PolarHBondContact O-N 3.26Å; A82-W86 PolarHBondContact O-NE1 3.22Å; A82-A226 HydrophobicContact CB-CB 4.06Å; A82-T229 VanDerWaalsContact CB-OG1 3.23Å; A82-T229 WeakPolarHBondContact CB-OG1 3.11Å; A82-N230 WeakPolarHBondContact CA-OD1 3.45Å; A82-N230 VanDerWaalsContact CB-OD1 3.31Å; A82-N230 WeakPolarHBondContact CB-OD1 3.47Å
83L96Very high94.4Very high31 Ų3130.3 Ų30.316%0.16217%0.169CC..Hα-helixtrans-78.6-35.2174.7-67.4174.2000113.1I10 I13 L14 L79 T80 I81 L85 W86I10-L83 HydrophobicContact CG2-CD1 4.16Å; I10-L83 HydrophobicContact CG2-CD2 4.2Å; I13-L83 HydrophobicContact CG2-CD2 4.35Å; L14-L83 HydrophobicContact CD2-CD2 4.45Å; L79-L83 HydrophobicContact CD1-CD1 4.48Å; L79-L83 HydrophobicContact CG-CD1 4.11Å; L79-L83 HydrophobicContact CG-CG 4.49Å; L79-L83 WeakPolarHBondContact O-CG 3.02Å; L79-L83 PolarHBondContact O-N 2.78Å; T80-L83 PolarHBondContact O-N 3.44Å; I81-L83 PolarHBondContact O-N 3.45Å; L83-L85 VanDerWaalsContact C-N 3.28Å; L83-L85 PolarHBondContact O-N 3.33Å; L83-W86 PolarHBondContact O-N 3.06Å
84L95.9Very high94.4Very high83 Ų8328.7 Ų28.744%0.43516%0.159SC..Hα-helixtrans-63.2-34.7178.1-78.7168.7000112.5T80 I81 W86 T87T80-L84 WeakPolarHBondContact O-CB 3.13Å; T80-L84 VanDerWaalsContact O-CG 3.24Å; T80-L84 WeakPolarHBondContact O-CG 3.21Å; T80-L84 PolarHBondContact O-N 2.89Å; I81-L84 PolarHBondContact O-N 3.38Å; I81-L84 VanDerWaalsContact O-N 3.12Å; L84-W86 PolarHBondContact O-N 3.36Å; L84-W86 VanDerWaalsContact O-N 3.07Å; L84-T87 WeakPolarHBondContact O-CG2 3.31Å; L84-T87 PolarHBondContact O-N 2.94Å; L84-T87 VanDerWaalsContact O-N 3.09Å; L84-T87 PolarHBondContact O-OG1 3.28Å
85L96.1Very high94.4Very high1 Ų131.7 Ų31.71%0.00518%0.175CC..THydrogen-bonded Turntrans-58.5-20.2178.7-76.7159000113.5I81 L83 P88 I105 T108 M233I81-L85 HydrophobicContact CG2-CD1 4.05Å; I81-L85 WeakPolarHBondContact O-CG 3.47Å; I81-L85 PolarHBondContact O-N 3.03Å; I81-L85 VanDerWaalsContact O-N 3.11Å; L83-L85 VanDerWaalsContact C-N 3.28Å; L83-L85 PolarHBondContact O-N 3.33Å; L85-P88 WeakPolarHBondContact O-CD 3.2Å; L85-I105 HydrophobicContact CD2-CB 4.32Å; L85-I105 HydrophobicContact CD2-CG2 3.73Å; L85-T108 WeakPolarHBondContact CD2-OG1 3.47Å; L85-M233 HydrophobicContact CB-CE 3.87Å; L85-M233 HydrophobicContact CB-CG 3.84Å; L85-M233 HydrophobicContact CB-SD 3.94Å; L85-M233 HydrophobicContact CD1-CE 3.53Å; L85-M233 HydrophobicContact CD2-CE 4.11Å; L85-M233 HydrophobicContact CD2-SD 4.45Å; L85-M233 HydrophobicContact CG-CE 4.04Å
86W96.4Very high94.3Very high14 Ų1434.7 Ų34.75%0.05319%0.193CC..THydrogen-bonded Turntrans-83.1-18.9178.8-69.677.8000114.6L9 I13 A82 L83 L84 L89 M91 I232 M233 T236L9-W86 HydrophobicContact CD2-CB 4.26Å; I13-W86 HydrophobicContact CD1-CB 3.86Å; I13-W86 HydrophobicContact CD1-CD2 3.38Å; I13-W86 HydrophobicContact CD1-CE3 3.5Å; I13-W86 VanDerWaalsContact CD1-CE3 3.5Å; I13-W86 HydrophobicContact CD1-CG 3.54Å; I13-W86 HydrophobicContact CD1-CZ3 4.13Å; I13-W86 HydrophobicContact CG1-CD2 3.95Å; I13-W86 HydrophobicContact CG1-CE3 3.82Å; I13-W86 HydrophobicContact CG1-CH2 4.15Å; I13-W86 HydrophobicContact CG1-CZ2 4.31Å; I13-W86 HydrophobicContact CG1-CZ3 3.9Å; I13-W86 HydrophobicContact CG2-CD2 4.37Å; I13-W86 HydrophobicContact CG2-CH2 4.39Å; I13-W86 HydrophobicContact CG2-CZ2 3.85Å; A82-W86 PolarHBondContact O-NE1 3.22Å; L83-W86 PolarHBondContact O-N 3.06Å; L84-W86 PolarHBondContact O-N 3.36Å; L84-W86 VanDerWaalsContact O-N 3.07Å; W86-L89 HydrophobicContact CD2-CD1 4.27Å; W86-L89 HydrophobicContact CE3-CD1 4.09Å; W86-L89 PolarHBondContact O-N 3.31Å; W86-M91 HydrophobicContact CE3-CE 3.89Å; W86-M91 HydrophobicContact CZ3-CE 3.58Å; W86-I232 HydrophobicContact CH2-CB 4.09Å; W86-I232 HydrophobicContact CH2-CG2 3.54Å; W86-I232 HydrophobicContact CZ2-CB 3.96Å; W86-I232 HydrophobicContact CZ2-CG2 3.95Å; W86-M233 HydrophobicContact CZ2-CB 3.95Å; W86-T236 HydrophobicContact CH2-CG2 4.11Å; W86-T236 HydrophobicContact CZ3-CG2 4.17Å
87T94.3Very high94.3Very high23 Ų2336.4 Ų36.414%0.14120%0.199CC..THydrogen-bonded Turntrans-61.6-37.7-172.2600000115.1L84 L95 V96L84-T87 WeakPolarHBondContact O-CG2 3.31Å; L84-T87 PolarHBondContact O-N 2.94Å; L84-T87 VanDerWaalsContact O-N 3.09Å; L84-T87 PolarHBondContact O-OG1 3.28Å; T87-L95 HydrophobicContact CG2-CD2 4.09Å; T87-L95 WeakPolarHBondContact O-CB 3.34Å; T87-L95 PolarHBondContact O-N 3.22Å; T87-V96 PolarHBondContact O-N 2.87Å
88P95.1Very high94.1Very high3 Ų336.9 Ų36.92%0.01920%0.202CC..THydrogen-bonded Turntrans-89.8-5.8178.439.3-41000113.8L85 P90 P94 L98 F104 I105 L162L85-P88 WeakPolarHBondContact O-CD 3.2Å; P88-P90 WeakPolarHBondContact O-CD 3.42Å; P88-P94 WeakPolarHBondContact O-CB 3.37Å; P88-L98 HydrophobicContact CB-CD1 4.41Å; P88-F104 HydrophobicContact CG-CD1 3.92Å; P88-F104 HydrophobicContact CG-CE1 4.27Å; P88-I105 HydrophobicContact CG-CD1 3.8Å; P88-I105 HydrophobicContact CG-CG1 3.66Å; P88-L162 HydrophobicContact CB-CD1 4.14Å; P88-L162 HydrophobicContact CG-CD1 4.28Å; P88-L162 WeakPolarHBondContact O-CD1 3.43Å
89L94.5Very high94.1Very high5 Ų542.3 Ų42.33%0.02623%0.23CC..  trans-68.2124.6-175.2-75.4175.4000110.6W86 M91 P94 I105 L162 M233 T236 L237W86-L89 HydrophobicContact CD2-CD1 4.27Å; W86-L89 HydrophobicContact CE3-CD1 4.09Å; W86-L89 PolarHBondContact O-N 3.31Å; L89-M91 PolarHBondContact O-N 3.34Å; L89-P94 WeakPolarHBondContact O-CA 3.27Å; L89-I105 HydrophobicContact CD2-CD1 4.16Å; L89-L162 HydrophobicContact CD2-CD1 4.39Å; L89-M233 HydrophobicContact CD1-CG 4.12Å; L89-T236 WeakPolarHBondContact CD1-OG1 3.48Å; L89-L237 HydrophobicContact CD2-CB 4.25Å; L89-L237 HydrophobicContact CD2-CD1 4.41Å
90P92.6Very high94Very high0 Ų045.5 Ų45.50%025%0.247CC..  trans-78.8120.6-178.432.1-36000110.6P88 P92 L162 I166 T240P88-P90 WeakPolarHBondContact O-CD 3.42Å; P90-P92 WeakPolarHBondContact CB-O 3.2Å; P90-L162 HydrophobicContact CG-CB 3.9Å; P90-I166 HydrophobicContact CB-CD1 3.86Å; P90-I166 HydrophobicContact CG-CD1 4.17Å; P90-T240 HydrophobicContact CG-CG2 4.03Å
91M89.1Confident93.9Very high61 Ų6142 Ų4230%0.323%0.226SC..SBendtrans-13485.9171.3-62.8-164.8-164.600112.2W86 L89 N93 T236 F259W86-M91 HydrophobicContact CE3-CE 3.89Å; W86-M91 HydrophobicContact CZ3-CE 3.58Å; L89-M91 PolarHBondContact O-N 3.34Å; M91-N93 PolarHBondContact O-N 3.3Å; M91-T236 HydrophobicContact CE-CG2 4.34Å; M91-F259 HydrophobicContact CE-CE1 4.04Å; M91-F259 HydrophobicContact CG-CD1 4.33Å; M91-F259 HydrophobicContact CG-CE1 4.06Å; M91-F259 HydrophobicContact SD-CE1 4.33Å
92P88.3Confident93.8Very high10 Ų1041.5 Ų41.57%0.06522%0.223CC..SBend-50.7-19.9-53.926.9-35.7000113.8P90 Y247 P252 Y255 T256P90-P92 WeakPolarHBondContact CB-O 3.2Å; P92-Y247 HydrophobicContact CB-CD2 3.66Å; P92-Y247 HydrophobicContact CB-CE2 3.67Å; P92-Y247 HydrophobicContact CG-CD2 4.08Å; P92-Y247 HydrophobicContact CG-CE2 3.7Å; P92-P252 HydrophobicContact CG-CB 3.86Å; P92-Y255 HydrophobicContact CB-CD1 3.59Å; P92-Y255 HydrophobicContact CB-CD2 4.38Å; P92-Y255 HydrophobicContact CB-CE1 3.98Å; P92-Y255 HydrophobicContact CB-CG 3.85Å; P92-Y255 HydrophobicContact CG-CD1 4.18Å; P92-Y255 HydrophobicContact CG-CG 4.4Å; P92-T256 VanDerWaalsContact CD-CG2 3.44Å
93N91.3Very high93.7Very high115 Ų11545 Ų4562%0.61524%0.241SC*.SBendtrans-99.2126.6177.1-64.6-33.6000109.5M91M91-N93 PolarHBondContact O-N 3.3Å
94P93.9Very high93.7Very high23 Ų2346.6 Ų46.615%0.14925%0.247CC..  trans-72.6156.1175.431.1-35.3000111.2P88 L89 V96 N97P88-P94 WeakPolarHBondContact O-CB 3.37Å; L89-P94 WeakPolarHBondContact O-CA 3.27Å; P94-V96 VanDerWaalsContact C-N 3.31Å; P94-N97 HydrophobicContact CG-CB 3.87Å
95L93.4Very high93.7Very high63 Ų6343 Ų4333%0.3323%0.228SC..SBendtrans-62.2-44173.5-175.483000110.4N5 L9 T87N5-L95 HydrophobicContact CB-CD1 3.74Å; L9-L95 HydrophobicContact CD2-CB 4.29Å; L9-L95 HydrophobicContact CD2-CD2 3.99Å; T87-L95 HydrophobicContact CG2-CD2 4.09Å; T87-L95 WeakPolarHBondContact O-CB 3.34Å; T87-L95 PolarHBondContact O-N 3.22Å
96V93.4Very high93.6Very high65 Ų6544.5 Ų44.539%0.39424%0.236SC..SBendtrans-124.9106.7176.2-172.60000108.1T87 P94 L98T87-V96 PolarHBondContact O-N 2.87Å; P94-V96 VanDerWaalsContact C-N 3.31Å; V96-L98 HydrophobicContact CG1-CD2 3.6Å; V96-L98 HydrophobicContact CG1-CG 3.85Å; V96-L98 PolarHBondContact O-N 3.38Å; V96-L98 VanDerWaalsContact O-N 3.16Å
97N93.2Very high93.5Very high100 Ų10046.3 Ų46.354%0.53525%0.254SS..  trans-76.4103.1175.4-169.7-2.1000109.6P94 N161P94-N97 HydrophobicContact CG-CB 3.87Å; N97-N161 PolarHBondContact OD1-ND2 3.26Å; N97-N161 VanDerWaalsContact OD1-ND2 3.08Å; N97-N161 PolarHBondContact OD1-OD1 3.18Å
98L93.7Very high93.5Very high54 Ų5445.9 Ų45.928%0.28325%0.251SS..  trans-105130179.4-62.6176.5000109.7P88 V96 L100 G101 F104 N161P88-L98 HydrophobicContact CB-CD1 4.41Å; V96-L98 HydrophobicContact CG1-CD2 3.6Å; V96-L98 HydrophobicContact CG1-CG 3.85Å; V96-L98 PolarHBondContact O-N 3.38Å; V96-L98 VanDerWaalsContact O-N 3.16Å; L98-L100 PolarHBondContact O-N 3.24Å; L98-G101 PolarHBondContact O-N 3.16Å; L98-G101 VanDerWaalsContact O-N 3.09Å; L98-F104 HydrophobicContact CD1-CB 4.05Å; L98-F104 HydrophobicContact CD1-CD1 4.23Å; L98-F104 HydrophobicContact CD1-CD2 4.22Å; L98-F104 HydrophobicContact CD1-CG 3.9Å; L98-N161 PolarHBondContact O-OD1 3.48Å
99N94Very high93.4Very high119 Ų11946 Ų4664%0.63625%0.252SS*.THydrogen-bonded Turntrans-60.2-32.4174.6-165.114.8000112.2F160 N161N99-F160 CarbonylContact O-C 3.41Å; N99-N161 PolarHBondContact O-N 2.86Å
100L94.1Very high93.2Very high98 Ų9847.7 Ų47.751%0.51327%0.265SS..THydrogen-bonded Turntrans-107.740.6176.1-55.2177.6000111.3L98 L102 L103 F104 F160L98-L100 PolarHBondContact O-N 3.24Å; L100-L102 VanDerWaalsContact C-N 3.31Å; L100-L102 PolarHBondContact O-N 2.61Å; L100-L103 HydrophobicContact CB-CB 4.34Å; L100-L103 HydrophobicContact CB-CD1 4.19Å; L100-L103 HydrophobicContact CD1-CD1 4.45Å; L100-L103 HydrophobicContact CD2-CD1 4.02Å; L100-L103 HydrophobicContact CG-CD1 4.44Å; L100-L103 PolarHBondContact O-N 2.84Å; L100-F104 PolarHBondContact O-N 3.27Å; L100-F160 HydrophobicContact CD2-CB 4.03Å; L100-F160 HydrophobicContact CD2-CD2 4.12Å; L100-F160 HydrophobicContact CD2-CG 4.33Å
101G94.1Very high93.2Very high1 Ų151.8 Ų51.81%0.0129%0.286CS..Hα-helixtrans-57.1-40.3-175.400000113.5L98 F104 I105 F160L98-G101 PolarHBondContact O-N 3.16Å; L98-G101 VanDerWaalsContact O-N 3.09Å; G101-F104 WeakPolarHBondContact O-CB 3.44Å; G101-F104 PolarHBondContact O-N 3.4Å; G101-I105 WeakPolarHBondContact O-CG1 3.18Å; G101-I105 PolarHBondContact O-N 3.3Å; G101-I105 VanDerWaalsContact O-N 3.17Å; G101-F160 PolarHBondContact N-O 3.4Å
102L94Very high93.4Very high2 Ų249.8 Ų49.81%0.0128%0.279CS..Hα-helixtrans-71.1-39.5-178.8-151.8150.6000112.5L100 F104 I105 L106 L150 L154 F160 L162 L165 I241L100-L102 VanDerWaalsContact C-N 3.31Å; L100-L102 PolarHBondContact O-N 2.61Å; L102-F104 VanDerWaalsContact C-N 3.29Å; L102-F104 PolarHBondContact O-N 2.66Å; L102-I105 PolarHBondContact O-N 2.92Å; L102-L106 HydrophobicContact CD2-CD1 4.03Å; L102-L106 HydrophobicContact CD2-CG 4.42Å; L102-L106 PolarHBondContact O-N 2.9Å; L102-L150 HydrophobicContact CD1-CD2 3.85Å; L102-L150 HydrophobicContact CD2-CB 3.97Å; L102-L150 HydrophobicContact CD2-CD1 3.62Å; L102-L150 HydrophobicContact CD2-CD2 3.59Å; L102-L150 HydrophobicContact CD2-CG 3.88Å; L102-L150 HydrophobicContact CG-CD2 4.26Å; L102-L154 HydrophobicContact CB-CD1 4.44Å; L102-L154 HydrophobicContact CD1-CD1 4.02Å; L102-L154 HydrophobicContact CD1-CD2 3.78Å; L102-L154 HydrophobicContact CD1-CG 4.14Å; L102-L154 HydrophobicContact CD2-CD1 4.16Å; L102-L154 HydrophobicContact CG-CD1 4.42Å; L102-F160 PolarHBondContact N-O 2.8Å; L102-F160 VanDerWaalsContact N-O 3.08Å; L102-L162 HydrophobicContact CB-CD2 4.2Å; L102-L162 HydrophobicContact CD1-CD2 3.8Å; L102-L162 HydrophobicContact CG-CD2 4.1Å; L102-L165 HydrophobicContact CD1-CD1 4.27Å; L102-I241 HydrophobicContact CD1-CD1 4.43Å
103L94.5Very high93.5Very high74 Ų7450.1 Ų50.139%0.38728%0.281SS..Hα-helixtrans-63.8-35.8173.5-75.5162.4000111.8L100 I105 L106 A107 F160L100-L103 HydrophobicContact CB-CB 4.34Å; L100-L103 HydrophobicContact CB-CD1 4.19Å; L100-L103 HydrophobicContact CD1-CD1 4.45Å; L100-L103 HydrophobicContact CD2-CD1 4.02Å; L100-L103 HydrophobicContact CG-CD1 4.44Å; L100-L103 PolarHBondContact O-N 2.84Å; L103-I105 VanDerWaalsContact C-N 3.33Å; L103-I105 PolarHBondContact O-N 3.47Å; L103-L106 PolarHBondContact O-N 3.11Å; L103-A107 WeakPolarHBondContact O-CB 3.19Å; L103-A107 PolarHBondContact O-N 3.39Å; L103-F160 HydrophobicContact CD1-CD1 3.86Å; L103-F160 HydrophobicContact CD1-CD2 4.27Å; L103-F160 HydrophobicContact CD1-CE1 4.1Å; L103-F160 HydrophobicContact CD1-CE2 4.48Å; L103-F160 HydrophobicContact CD1-CG 3.97Å; L103-F160 HydrophobicContact CD1-CZ 4.41Å; L103-F160 HydrophobicContact CD2-CE1 4.39Å; L103-F160 HydrophobicContact CG-CD1 3.8Å; L103-F160 HydrophobicContact CG-CE1 4.08Å; L103-F160 HydrophobicContact CG-CG 4.33Å
104F96Very high93.6Very high65 Ų6550.5 Ų50.529%0.28528%0.275SS..Hα-helixtrans-60.8-42.3173.1172-91.8000111.6P88 L98 L100 G101 L102 A107 T108P88-F104 HydrophobicContact CG-CD1 3.92Å; P88-F104 HydrophobicContact CG-CE1 4.27Å; L98-F104 HydrophobicContact CD1-CB 4.05Å; L98-F104 HydrophobicContact CD1-CD1 4.23Å; L98-F104 HydrophobicContact CD1-CD2 4.22Å; L98-F104 HydrophobicContact CD1-CG 3.9Å; L100-F104 PolarHBondContact O-N 3.27Å; G101-F104 WeakPolarHBondContact O-CB 3.44Å; G101-F104 PolarHBondContact O-N 3.4Å; L102-F104 VanDerWaalsContact C-N 3.29Å; L102-F104 PolarHBondContact O-N 2.66Å; F104-A107 PolarHBondContact O-N 3.1Å; F104-T108 HydrophobicContact CD1-CG2 4.42Å; F104-T108 HydrophobicContact CD2-CG2 4.2Å; F104-T108 HydrophobicContact CE1-CG2 4.02Å; F104-T108 HydrophobicContact CE2-CG2 3.77Å; F104-T108 HydrophobicContact CZ-CG2 3.68Å; F104-T108 WeakPolarHBondContact O-CB 3.34Å; F104-T108 WeakPolarHBondContact O-CG2 3.34Å; F104-T108 PolarHBondContact O-N 3.37Å; F104-T108 PolarHBondContact O-OG1 3.01Å
105I95.5Very high93.6Very high7 Ų749.7 Ų49.74%0.03627%0.27CS..Hα-helixtrans-63.5-47176.4-65.2-177.5000110.9L85 P88 L89 G101 L102 L103 A107 T108 S109 L162 L237L85-I105 HydrophobicContact CD2-CB 4.32Å; L85-I105 HydrophobicContact CD2-CG2 3.73Å; P88-I105 HydrophobicContact CG-CD1 3.8Å; P88-I105 HydrophobicContact CG-CG1 3.66Å; L89-I105 HydrophobicContact CD2-CD1 4.16Å; G101-I105 WeakPolarHBondContact O-CG1 3.18Å; G101-I105 PolarHBondContact O-N 3.3Å; G101-I105 VanDerWaalsContact O-N 3.17Å; L102-I105 PolarHBondContact O-N 2.92Å; L103-I105 VanDerWaalsContact C-N 3.33Å; L103-I105 PolarHBondContact O-N 3.47Å; I105-A107 VanDerWaalsContact C-N 3.35Å; I105-A107 PolarHBondContact O-N 3.28Å; I105-T108 WeakPolarHBondContact CA-OG1 3.37Å; I105-T108 PolarHBondContact O-N 3.5Å; I105-T108 PolarHBondContact O-OG1 3.36Å; I105-T108 VanDerWaalsContact O-OG1 3.11Å; I105-S109 WeakPolarHBondContact O-CB 3.33Å; I105-S109 PolarHBondContact O-N 3.2Å; I105-S109 PolarHBondContact O-OG 3.47Å; I105-L162 HydrophobicContact CD1-CD1 3.65Å; I105-L237 HydrophobicContact CB-CD1 4.34Å; I105-L237 HydrophobicContact CD1-CD1 3.35Å; I105-L237 HydrophobicContact CG1-CD1 4.42Å; I105-L237 HydrophobicContact CG2-CD1 3.62Å
106L93.8Very high93.5Very high32 Ų3247.5 Ų47.517%0.16826%0.258CS..Hα-helixtrans-59.4-43.5176.7-83.1168.3000112.7L102 L103 T108 S109 S110 L146 A147 L150L102-L106 HydrophobicContact CD2-CD1 4.03Å; L102-L106 HydrophobicContact CD2-CG 4.42Å; L102-L106 PolarHBondContact O-N 2.9Å; L103-L106 PolarHBondContact O-N 3.11Å; L106-T108 VanDerWaalsContact C-N 3.35Å; L106-S109 PolarHBondContact O-OG 2.81Å; L106-S110 PolarHBondContact O-N 3.46Å; L106-S110 VanDerWaalsContact O-N 3.15Å; L106-S110 PolarHBondContact O-OG 3.19Å; L106-L146 HydrophobicContact CD2-CD2 3.7Å; L106-L146 HydrophobicContact CD2-CG 4.43Å; L106-A147 HydrophobicContact CD2-CB 4.44Å; L106-L150 HydrophobicContact CD1-CD1 3.8Å; L106-L150 HydrophobicContact CD2-CD1 3.67Å; L106-L150 HydrophobicContact CG-CD1 3.77Å
107A94.5Very high93.5Very high52 Ų5246.9 Ų46.943%0.4325%0.252SS..Hα-helixtrans-67.8-35.9178.400000112L103 F104 I105 S110 L111L103-A107 WeakPolarHBondContact O-CB 3.19Å; L103-A107 PolarHBondContact O-N 3.39Å; F104-A107 PolarHBondContact O-N 3.1Å; I105-A107 VanDerWaalsContact C-N 3.35Å; I105-A107 PolarHBondContact O-N 3.28Å; A107-S110 PolarHBondContact O-OG 3.25Å; A107-L111 WeakPolarHBondContact O-CG 3.38Å; A107-L111 PolarHBondContact O-N 2.97Å
108T94.9Very high93.5Very high14 Ų1446.4 Ų46.49%0.08624%0.243CC..Hα-helixtrans-79.1-31.2178.748.60000112.7I81 L85 F104 I105 L106 L111 A112I81-T108 VanDerWaalsContact CG2-O 3.24Å; I81-T108 WeakPolarHBondContact CG2-O 3.44Å; L85-T108 WeakPolarHBondContact CD2-OG1 3.47Å; F104-T108 HydrophobicContact CD1-CG2 4.42Å; F104-T108 HydrophobicContact CD2-CG2 4.2Å; F104-T108 HydrophobicContact CE1-CG2 4.02Å; F104-T108 HydrophobicContact CE2-CG2 3.77Å; F104-T108 HydrophobicContact CZ-CG2 3.68Å; F104-T108 WeakPolarHBondContact O-CB 3.34Å; F104-T108 WeakPolarHBondContact O-CG2 3.34Å; F104-T108 PolarHBondContact O-N 3.37Å; F104-T108 PolarHBondContact O-OG1 3.01Å; I105-T108 WeakPolarHBondContact CA-OG1 3.37Å; I105-T108 PolarHBondContact O-N 3.5Å; I105-T108 PolarHBondContact O-OG1 3.36Å; I105-T108 VanDerWaalsContact O-OG1 3.11Å; L106-T108 VanDerWaalsContact C-N 3.35Å; T108-L111 WeakPolarHBondContact O-CB 3.17Å; T108-L111 PolarHBondContact O-N 3.26Å; T108-A112 PolarHBondContact O-N 2.86Å
109S92.1Very high93.4Very high6 Ų643.8 Ų43.84%0.04223%0.23CC..Hα-helixtrans-67.5-40.4173.572.90000111.7I105 L106 L111 A112 E192I105-S109 WeakPolarHBondContact O-CB 3.33Å; I105-S109 PolarHBondContact O-N 3.2Å; I105-S109 PolarHBondContact O-OG 3.47Å; L106-S109 PolarHBondContact O-OG 2.81Å; S109-L111 PolarHBondContact O-N 3.3Å; S109-A112 WeakPolarHBondContact O-CB 3.33Å; S109-A112 PolarHBondContact O-N 3Å; S109-E192 VanDerWaalsContact CB-OE1 3.27Å; S109-E192 WeakPolarHBondContact CB-OE1 3.23Å; S109-E192 PolarHBondContact OG-OE1 2.95Å
110S91.3Very high93.2Very high41 Ų4138.1 Ų38.129%0.28720%0.199SC..Hα-helixtrans-61.9-27.7173.260.40000113.9L106 A107 A112 E143L106-S110 PolarHBondContact O-N 3.46Å; L106-S110 VanDerWaalsContact O-N 3.15Å; L106-S110 PolarHBondContact O-OG 3.19Å; A107-S110 PolarHBondContact O-OG 3.25Å; S110-A112 VanDerWaalsContact C-N 3.33Å; S110-E143 VanDerWaalsContact CA-OE1 3.28Å; S110-E143 WeakPolarHBondContact CA-OE1 3.25Å; S110-E143 WeakPolarHBondContact CB-OE2 3.48Å
111L93.3Very high93.1Very high86 Ų8640.8 Ų40.845%0.4520%0.202SC..Hα-helixtrans-71.5-25.8172.5-70.3168.7000113.1I81 A107 T108 S109 V113 Y114I81-L111 HydrophobicContact CD1-CB 3.82Å; I81-L111 WeakPolarHBondContact CD1-O 3.44Å; A107-L111 WeakPolarHBondContact O-CG 3.38Å; A107-L111 PolarHBondContact O-N 2.97Å; T108-L111 WeakPolarHBondContact O-CB 3.17Å; T108-L111 PolarHBondContact O-N 3.26Å; S109-L111 PolarHBondContact O-N 3.3Å; L111-V113 PolarHBondContact O-N 3.23Å; L111-Y114 HydrophobicContact CD2-CD2 4.12Å; L111-Y114 HydrophobicContact CD2-CE2 4.11Å; L111-Y114 PolarHBondContact O-N 3.47Å
112A91.5Very high93Very high19 Ų1940.7 Ų40.716%0.15720%0.202CC..Hα-helixtrans-61.7-28.9-178.800000112I81 T108 S109 S110 Y114 S115I81-A112 HydrophobicContact CG2-CB 3.97Å; T108-A112 PolarHBondContact O-N 2.86Å; S109-A112 WeakPolarHBondContact O-CB 3.33Å; S109-A112 PolarHBondContact O-N 3Å; S110-A112 VanDerWaalsContact C-N 3.33Å; A112-Y114 PolarHBondContact O-N 3.1Å; A112-S115 WeakPolarHBondContact O-CB 3.41Å; A112-S115 PolarHBondContact O-N 2.83Å; A112-S115 VanDerWaalsContact O-N 3.11Å; A112-S115 PolarHBondContact O-OG 3.35Å
113V92.1Very high92.6Very high16 Ų1640.6 Ų40.610%0.09720%0.201CC..Hα-helixtrans-59.2-34.5178.6-173.20000112.2L111 S115 I116 L117 V136 T139 E143L111-V113 PolarHBondContact O-N 3.23Å; V113-S115 VanDerWaalsContact C-N 3.28Å; V113-S115 PolarHBondContact O-N 3.25Å; V113-I116 PolarHBondContact O-N 3.24Å; V113-L117 PolarHBondContact O-N 3.23Å; V113-V136 HydrophobicContact CG1-CB 4.07Å; V113-V136 HydrophobicContact CG1-CG1 3.99Å; V113-V136 HydrophobicContact CG1-CG2 3.72Å; V113-T139 VanDerWaalsContact CG1-OG1 3.23Å; V113-T139 WeakPolarHBondContact CG1-OG1 3.22Å; V113-T139 HydrophobicContact CG2-CG2 4.03Å; V113-T139 WeakPolarHBondContact CG2-OG1 2.96Å; V113-E143 WeakPolarHBondContact CG2-OE1 3.47Å
114Y93.2Very high92.3Very high123 Ų12342.3 Ų42.348%0.48221%0.211SC..Hα-helixtrans-65.3-31.9178.7-69.2-69.8000112.7L111 A112 I116 L117 W118L111-Y114 HydrophobicContact CD2-CD2 4.12Å; L111-Y114 HydrophobicContact CD2-CE2 4.11Å; L111-Y114 PolarHBondContact O-N 3.47Å; A112-Y114 PolarHBondContact O-N 3.1Å; Y114-I116 VanDerWaalsContact C-N 3.28Å; Y114-I116 PolarHBondContact O-N 3.16Å; Y114-L117 PolarHBondContact O-N 3.21Å; Y114-W118 VanDerWaalsContact O-CB 3.3Å; Y114-W118 WeakPolarHBondContact O-CB 3.43Å; Y114-W118 VanDerWaalsContact O-CG 3.24Å; Y114-W118 PolarHBondContact O-N 2.66Å
115S93.1Very high92Very high6 Ų640.2 Ų40.24%0.04220%0.204CC..Hα-helixtrans-60.7-42.2175.872.30000111.3A112 V113 S119A112-S115 WeakPolarHBondContact O-CB 3.41Å; A112-S115 PolarHBondContact O-N 2.83Å; A112-S115 VanDerWaalsContact O-N 3.11Å; A112-S115 PolarHBondContact O-OG 3.35Å; V113-S115 VanDerWaalsContact C-N 3.28Å; V113-S115 PolarHBondContact O-N 3.25Å; S115-S119 VanDerWaalsContact O-CB 3.27Å; S115-S119 WeakPolarHBondContact O-CB 3.46Å; S115-S119 PolarHBondContact O-N 3.16Å; S115-S119 PolarHBondContact O-OG 2.78Å
116I91.4Very high91.6Very high18 Ų1846.1 Ų46.19%0.09224%0.236CC..Hα-helixtrans-70.6-45.4179.5-55.9169.5000109.8V113 Y114 W118 S119 G120 A135 F211V113-I116 PolarHBondContact O-N 3.24Å; Y114-I116 VanDerWaalsContact C-N 3.28Å; Y114-I116 PolarHBondContact O-N 3.16Å; I116-W118 PolarHBondContact O-N 3.47Å; I116-S119 PolarHBondContact O-N 3.06Å; I116-S119 PolarHBondContact O-OG 3.49Å; I116-G120 PolarHBondContact O-N 3.2Å; I116-G120 VanDerWaalsContact O-N 3.12Å; I116-A135 HydrophobicContact CG2-CB 3.69Å; I116-F211 HydrophobicContact CG2-CB 4.12Å; I116-F211 HydrophobicContact CG2-CD1 3.7Å; I116-F211 HydrophobicContact CG2-CD2 4.19Å; I116-F211 HydrophobicContact CG2-CE1 4.1Å; I116-F211 HydrophobicContact CG2-CG 3.74Å; I116-F211 HydrophobicContact CG2-CZ 4.5Å
117L92.7Very high91.4Very high52 Ų5251.7 Ų51.727%0.27226%0.256SS..Hα-helixtrans-60.5-49178.6-177.867.8000112.2V113 Y114 S119 G120 W121 V136V113-L117 PolarHBondContact O-N 3.23Å; Y114-L117 PolarHBondContact O-N 3.21Å; L117-S119 VanDerWaalsContact C-N 3.28Å; L117-S119 PolarHBondContact O-N 2.7Å; L117-G120 PolarHBondContact O-N 2.99Å; L117-W121 PolarHBondContact O-N 3.41Å; L117-V136 HydrophobicContact CB-CG2 3.88Å; L117-V136 HydrophobicContact CD1-CG2 3.96Å; L117-V136 HydrophobicContact CG-CG2 4.42Å
118W93.6Very high91.1Very high89 Ų8949.2 Ų49.234%0.33724%0.235SC..Hα-helixtrans-63.4-38.2178.9-70.10.3000111.2L70 A74 L77 Y114 I116 G120 A122L70-W118 HydrophobicContact CD2-CD2 3.9Å; L70-W118 HydrophobicContact CD2-CE3 3.98Å; L70-W118 HydrophobicContact CD2-CG 4.16Å; A74-W118 HydrophobicContact CB-CB 3.96Å; L77-W118 HydrophobicContact CD1-CE3 4.43Å; L77-W118 HydrophobicContact CD1-CH2 4.21Å; L77-W118 HydrophobicContact CD1-CZ3 3.73Å; Y114-W118 VanDerWaalsContact O-CB 3.3Å; Y114-W118 WeakPolarHBondContact O-CB 3.43Å; Y114-W118 VanDerWaalsContact O-CG 3.24Å; Y114-W118 PolarHBondContact O-N 2.66Å; I116-W118 PolarHBondContact O-N 3.47Å; W118-G120 PolarHBondContact O-N 3.04Å; W118-A122 WeakPolarHBondContact O-CB 3.37Å; W118-A122 PolarHBondContact O-N 2.98Å
119S91.7Very high90.9Very high0 Ų051.6 Ų51.60%025%0.247CC..Hα-helixtrans-62-45.2179750000112.7S115 I116 L117 S123 F211 Y215 F223S115-S119 VanDerWaalsContact O-CB 3.27Å; S115-S119 WeakPolarHBondContact O-CB 3.46Å; S115-S119 PolarHBondContact O-N 3.16Å; S115-S119 PolarHBondContact O-OG 2.78Å; I116-S119 PolarHBondContact O-N 3.06Å; I116-S119 PolarHBondContact O-OG 3.49Å; L117-S119 VanDerWaalsContact C-N 3.28Å; L117-S119 PolarHBondContact O-N 2.7Å; S119-S123 PolarHBondContact O-N 2.85Å; S119-F211 WeakPolarHBondContact OG-CD2 3.47Å; S119-Y215 WeakPolarHBondContact CA-OH 3.23Å; S119-F223 VanDerWaalsContact CB-CZ 3.5Å
120G90.1Very high90.8Very high0 Ų055.3 Ų55.30%027%0.266CS..Hα-helixtrans-67.6-45.3178.800000112.3I116 L117 W118 S123I116-G120 PolarHBondContact O-N 3.2Å; I116-G120 VanDerWaalsContact O-N 3.12Å; L117-G120 PolarHBondContact O-N 2.99Å; W118-G120 PolarHBondContact O-N 3.04Å; G120-S123 PolarHBondContact O-OG 3.36Å
121W91.8Very high90.7Very high153 Ų15353.3 Ų53.358%0.5825%0.252SS*.Hα-helixtrans-67.1-40.2178.8-168.474.8000112.4T67 L70 L117 S123 N124 L129T67-W121 HydrophobicContact CG2-CZ3 4.27Å; L70-W121 HydrophobicContact CD1-CE3 3.39Å; L70-W121 HydrophobicContact CD1-CZ3 3.35Å; L117-W121 PolarHBondContact O-N 3.41Å; W121-S123 VanDerWaalsContact C-N 3.28Å; W121-S123 PolarHBondContact O-N 3.37Å; W121-N124 PolarHBondContact O-N 3.13Å; W121-L129 HydrophobicContact CB-CD1 4.5Å
122A91.6Very high90.6Very high0 Ų049.2 Ų49.20%023%0.231CC..Hα-helixtrans-66.5-30.7-177.900000113.3S66 T67 L70 W118 N124S66-A122 CarbonylContact C-O 3.56Å; S66-A122 WeakPolarHBondContact CA-O 3.45Å; S66-A122 WeakPolarHBondContact CB-O 3.23Å; T67-A122 PolarHBondContact N-O 3.12Å; T67-A122 WeakPolarHBondContact OG1-CA 3.45Å; L70-A122 HydrophobicContact CB-CB 3.65Å; W118-A122 WeakPolarHBondContact O-CB 3.37Å; W118-A122 PolarHBondContact O-N 2.98Å; A122-N124 PolarHBondContact O-N 3.37Å
123S86.5Confident90.6Very high0 Ų052.9 Ų52.90%025%0.247CC..THydrogen-bonded Turntrans-69.3-19.3-179.376.50000113.8S119 G120 W121 S125 A128S119-S123 PolarHBondContact O-N 2.85Å; G120-S123 PolarHBondContact O-OG 3.36Å; W121-S123 VanDerWaalsContact C-N 3.28Å; W121-S123 PolarHBondContact O-N 3.37Å; S123-S125 PolarHBondContact O-N 2.87Å; S123-A128 WeakPolarHBondContact OG-CB 3.32Å
124N88.8Confident90.5Very high109 Ų10954 Ų5458%0.58325%0.25SC*.THydrogen-bonded Turntrans5136-179.7-155.714000114T65 W121 A122T65-N124 WeakPolarHBondContact O-CB 3.38Å; T65-N124 PolarHBondContact O-ND2 3.44Å; W121-N124 PolarHBondContact O-N 3.13Å; A122-N124 PolarHBondContact O-N 3.37Å
125S88Confident90.3Very high22 Ų2248.2 Ų48.215%0.15423%0.227CC..  trans-114.6140.517175.30000110.3S123 Y127 A128 L129S123-S125 PolarHBondContact O-N 2.87Å; S125-Y127 VanDerWaalsContact C-N 3.3Å; S125-Y127 PolarHBondContact O-N 3.28Å; S125-A128 PolarHBondContact O-N 3.13Å; S125-A128 WeakPolarHBondContact OG-CB 3.32Å; S125-A128 PolarHBondContact OG-N 2.75Å; S125-L129 PolarHBondContact O-N 3.03Å
126N88Confident90.2Very high130 Ų13049 Ų4970%0.69523%0.231SC*.Hα-helixtrans-62.8-38.7-176.3-68.7-23.5000112L129 I130N126-L129 PolarHBondContact O-N 3Å; N126-I130 WeakPolarHBondContact O-CD1 3.13Å; N126-I130 VanDerWaalsContact O-CG1 3.27Å; N126-I130 WeakPolarHBondContact O-CG1 3.44Å; N126-I130 PolarHBondContact O-N 2.82Å
127Y89.6Confident90.2Very high149 Ų14949.4 Ų49.458%0.58424%0.238SC*.Hα-helixtrans-68.2-41.5179.7-70.5-75.4000112.4S125 L129 I130 G131 L207S125-Y127 VanDerWaalsContact C-N 3.3Å; S125-Y127 PolarHBondContact O-N 3.28Å; Y127-L129 VanDerWaalsContact C-N 3.33Å; Y127-L129 PolarHBondContact O-N 3.24Å; Y127-I130 PolarHBondContact O-N 3.23Å; Y127-G131 PolarHBondContact O-N 3.24Å; Y127-L207 HydrophobicContact CD1-CD2 4.11Å
128A88.9Confident90.1Very high0 Ų047 Ų470%023%0.225CC..Hα-helixtrans-67.6-36.1177.200000112.2S123 S125 G131 A132 G210S123-A128 WeakPolarHBondContact OG-CB 3.32Å; S125-A128 PolarHBondContact O-N 3.13Å; S125-A128 WeakPolarHBondContact OG-CB 3.32Å; S125-A128 PolarHBondContact OG-N 2.75Å; A128-G131 PolarHBondContact O-N 2.95Å; A128-A132 WeakPolarHBondContact O-CB 3.31Å; A128-A132 PolarHBondContact O-N 3.3Å; A128-G210 WeakPolarHBondContact CA-O 3.34Å; A128-G210 WeakPolarHBondContact CB-O 3.31Å
129L90.4Very high89.9Confident64 Ų6443.1 Ų43.134%0.33521%0.211SC..Hα-helixtrans-64-44.1174.1-173.465000111.7W121 S125 N126 Y127 A132 L133W121-L129 HydrophobicContact CB-CD1 4.5Å; S125-L129 PolarHBondContact O-N 3.03Å; N126-L129 PolarHBondContact O-N 3Å; Y127-L129 VanDerWaalsContact C-N 3.33Å; Y127-L129 PolarHBondContact O-N 3.24Å; L129-A132 PolarHBondContact O-N 3.37Å; L129-L133 HydrophobicContact CG-CD1 4.25Å; L129-L133 WeakPolarHBondContact O-CG 3.48Å; L129-L133 PolarHBondContact O-N 3.26Å
130I90.1Very high89.7Confident84 Ų8447.4 Ų47.443%0.43123%0.233SC..Hα-helixtrans-62.7-43.7176.4-67.8164.2000110.8N126 Y127 L133 R134 L207N126-I130 WeakPolarHBondContact O-CD1 3.13Å; N126-I130 VanDerWaalsContact O-CG1 3.27Å; N126-I130 WeakPolarHBondContact O-CG1 3.44Å; N126-I130 PolarHBondContact O-N 2.82Å; Y127-I130 PolarHBondContact O-N 3.23Å; I130-L133 PolarHBondContact O-N 3.45Å; I130-R134 WeakPolarHBondContact O-CG 3.33Å; I130-R134 PolarHBondContact O-N 2.93Å; I130-L207 HydrophobicContact CB-CD2 4.49Å; I130-L207 HydrophobicContact CG2-CD2 4.14Å
131G88.2Confident89.8Confident0 Ų047.7 Ų47.70%024%0.235CC..Hα-helixtrans-60.6-45.9176.200000112.6Y127 A128 R134 A135Y127-G131 PolarHBondContact O-N 3.24Å; A128-G131 PolarHBondContact O-N 2.95Å; G131-R134 PolarHBondContact O-N 3.36Å; G131-A135 WeakPolarHBondContact O-CB 3.46Å; G131-A135 PolarHBondContact O-N 2.96Å
132A91.2Very high89.7Confident0 Ų040.4 Ų40.40%021%0.207CC..Hα-helixtrans-64.2-42.717800000112.4A128 L129 R134 A135 V136 F211A128-A132 WeakPolarHBondContact O-CB 3.31Å; A128-A132 PolarHBondContact O-N 3.3Å; L129-A132 PolarHBondContact O-N 3.37Å; A132-R134 VanDerWaalsContact C-N 3.33Å; A132-R134 PolarHBondContact O-N 2.95Å; A132-A135 PolarHBondContact O-N 3.49Å; A132-V136 WeakPolarHBondContact O-CB 3.4Å; A132-V136 WeakPolarHBondContact O-CG2 3.23Å; A132-V136 PolarHBondContact O-N 2.92Å; A132-F211 HydrophobicContact CB-CB 4.21Å
133L91.5Very high89.7Confident96 Ų9642.5 Ų42.550%0.50322%0.217SC..Hα-helixtrans-63.7-38.3177-71.9172.6000112.2L129 I130 A137L129-L133 HydrophobicContact CG-CD1 4.25Å; L129-L133 WeakPolarHBondContact O-CG 3.48Å; L129-L133 PolarHBondContact O-N 3.26Å; I130-L133 PolarHBondContact O-N 3.45Å; L133-A137 WeakPolarHBondContact O-CB 3.37Å; L133-A137 PolarHBondContact O-N 3.03Å
134R90.4Very high90.1Very high40 Ų4045.3 Ų45.315%0.15123%0.234CC..Hα-helixtrans-65.4-44.4174.3-7417364.9172.50.9111.9I130 G131 A132 V136 A137 Q138 E206 Y282I130-R134 WeakPolarHBondContact O-CG 3.33Å; I130-R134 PolarHBondContact O-N 2.93Å; G131-R134 PolarHBondContact O-N 3.36Å; A132-R134 VanDerWaalsContact C-N 3.33Å; A132-R134 PolarHBondContact O-N 2.95Å; R134-V136 VanDerWaalsContact C-N 3.34Å; R134-V136 PolarHBondContact O-N 3.42Å; R134-A137 PolarHBondContact O-N 3.42Å; R134-Q138 VanDerWaalsContact O-CB 3.25Å; R134-Q138 WeakPolarHBondContact O-CB 3.38Å; R134-Q138 PolarHBondContact O-N 2.98Å; R134-E206 IonicContact CZ-OE2 3.38Å; R134-E206 IonicContact NH1-OE2 2.78Å; R134-E206 PolarHBondContact NH1-OE2 3.18Å; R134-E206 IonicContact NH2-OE2 2.82Å; R134-E206 PolarHBondContact NH2-OE2 3.31Å; R134-Y282 HydrophobicContact CB-CD2 4.49Å; R134-Y282 HydrophobicContact CB-CE2 4.45Å; R134-Y282 HydrophobicContact CG-CD2 4.39Å; R134-Y282 HydrophobicContact CG-CE2 4.45Å
135A88.8Confident90.3Very high0 Ų040.1 Ų40.10%021%0.206CC..Hα-helixtrans-61.6-42.6177.200000111.6I116 G131 A132 Q138 T139 A201I116-A135 HydrophobicContact CG2-CB 3.69Å; G131-A135 WeakPolarHBondContact O-CB 3.46Å; G131-A135 PolarHBondContact O-N 2.96Å; A132-A135 PolarHBondContact O-N 3.49Å; A135-Q138 VanDerWaalsContact O-CB 3.31Å; A135-Q138 WeakPolarHBondContact O-CB 3.45Å; A135-Q138 PolarHBondContact O-N 3.43Å; A135-T139 WeakPolarHBondContact O-CG2 3.42Å; A135-T139 PolarHBondContact O-N 2.99Å; A135-T139 PolarHBondContact O-OG1 3.42Å; A135-A201 HydrophobicContact CB-CB 3.63Å
136V90.5Very high90.6Very high22 Ų2239.3 Ų39.313%0.13320%0.2CC..Hα-helixtrans-65.9-44.81781720000111.2V113 L117 A132 R134 Q138 T139 I140V113-V136 HydrophobicContact CG1-CB 4.07Å; V113-V136 HydrophobicContact CG1-CG1 3.99Å; V113-V136 HydrophobicContact CG1-CG2 3.72Å; L117-V136 HydrophobicContact CB-CG2 3.88Å; L117-V136 HydrophobicContact CD1-CG2 3.96Å; L117-V136 HydrophobicContact CG-CG2 4.42Å; A132-V136 WeakPolarHBondContact O-CB 3.4Å; A132-V136 WeakPolarHBondContact O-CG2 3.23Å; A132-V136 PolarHBondContact O-N 2.92Å; R134-V136 VanDerWaalsContact C-N 3.34Å; R134-V136 PolarHBondContact O-N 3.42Å; V136-Q138 PolarHBondContact O-N 2.98Å; V136-T139 PolarHBondContact O-N 3.47Å; V136-T139 PolarHBondContact O-OG1 3.43Å; V136-T139 VanDerWaalsContact O-OG1 3.04Å; V136-I140 HydrophobicContact CG1-CD1 3.66Å; V136-I140 HydrophobicContact CG1-CG1 4.45Å; V136-I140 WeakPolarHBondContact O-CD1 3.32Å; V136-I140 VanDerWaalsContact O-CG1 3.23Å; V136-I140 WeakPolarHBondContact O-CG1 3.3Å; V136-I140 PolarHBondContact O-N 3.25Å; V136-I140 VanDerWaalsContact O-N 3.11Å
137A91.2Very high90.9Very high28 Ų2835 Ų3523%0.23118%0.183CC..Hα-helixtrans-62-38.717600000111.3L133 R134 S141 Y282 M286L133-A137 WeakPolarHBondContact O-CB 3.37Å; L133-A137 PolarHBondContact O-N 3.03Å; R134-A137 PolarHBondContact O-N 3.42Å; A137-S141 WeakPolarHBondContact O-CB 3.47Å; A137-S141 PolarHBondContact O-N 2.82Å; A137-S141 PolarHBondContact O-OG 3.07Å; A137-Y282 HydrophobicContact CB-CE2 4.2Å; A137-Y282 WeakPolarHBondContact CB-OH 3.47Å; A137-M286 HydrophobicContact CB-CE 4.01Å; A137-M286 WeakPolarHBondContact O-CE 3.5Å
138Q90.9Very high91.2Very high0 Ų029.3 Ų29.30%016%0.162CC..Hα-helixtrans-59.8-57.8174.6-174174.2-34.900111.3R134 A135 V136 I140 S141 Y142 A191 N194 F198 L285R134-Q138 VanDerWaalsContact O-CB 3.25Å; R134-Q138 WeakPolarHBondContact O-CB 3.38Å; R134-Q138 PolarHBondContact O-N 2.98Å; A135-Q138 VanDerWaalsContact O-CB 3.31Å; A135-Q138 WeakPolarHBondContact O-CB 3.45Å; A135-Q138 PolarHBondContact O-N 3.43Å; V136-Q138 PolarHBondContact O-N 2.98Å; Q138-I140 PolarHBondContact O-N 2.97Å; Q138-S141 PolarHBondContact O-N 3.3Å; Q138-S141 VanDerWaalsContact O-N 3.15Å; Q138-S141 PolarHBondContact O-OG 2.91Å; Q138-Y142 HydrophobicContact CG-CD2 3.71Å; Q138-Y142 HydrophobicContact CG-CE2 3.36Å; Q138-Y142 WeakPolarHBondContact O-CD2 3.45Å; Q138-Y142 PolarHBondContact O-N 3.48Å; Q138-Y142 VanDerWaalsContact O-N 3.15Å; Q138-A191 PolarHBondContact NE2-O 3.17Å; Q138-N194 PolarHBondContact NE2-OD1 3.31Å; Q138-F198 PolarHBondContact NE2-O 3.11Å; Q138-F198 PolarHBondContact OE1-O 2.73Å; Q138-L285 HydrophobicContact CG-CD1 4.08Å; Q138-L285 HydrophobicContact CG-CD2 4.44Å
139T89.6Confident91.6Very high8 Ų829.3 Ų29.35%0.04916%0.162CC..Hα-helixtrans-60-45.4-175.753.90000112.2V113 A135 V136 S141 Y142 E143V113-T139 VanDerWaalsContact CG1-OG1 3.23Å; V113-T139 WeakPolarHBondContact CG1-OG1 3.22Å; V113-T139 HydrophobicContact CG2-CG2 4.03Å; V113-T139 WeakPolarHBondContact CG2-OG1 2.96Å; A135-T139 WeakPolarHBondContact O-CG2 3.42Å; A135-T139 PolarHBondContact O-N 2.99Å; A135-T139 PolarHBondContact O-OG1 3.42Å; V136-T139 PolarHBondContact O-N 3.47Å; V136-T139 PolarHBondContact O-OG1 3.43Å; V136-T139 VanDerWaalsContact O-OG1 3.04Å; T139-S141 VanDerWaalsContact C-N 3.28Å; T139-S141 PolarHBondContact O-N 3.49Å; T139-Y142 PolarHBondContact O-N 3.04Å; T139-Y142 VanDerWaalsContact O-N 3.14Å; T139-E143 WeakPolarHBondContact O-CG 3.44Å; T139-E143 PolarHBondContact O-N 2.75Å
140I88.9Confident91.8Very high91 Ų9126.5 Ų26.547%0.46715%0.147SC..Hα-helixtrans-59.1-41.9178.5-65166.6000110.9V136 Q138 Y142 E143V136-I140 HydrophobicContact CG1-CD1 3.66Å; V136-I140 HydrophobicContact CG1-CG1 4.45Å; V136-I140 WeakPolarHBondContact O-CD1 3.32Å; V136-I140 VanDerWaalsContact O-CG1 3.23Å; V136-I140 WeakPolarHBondContact O-CG1 3.3Å; V136-I140 PolarHBondContact O-N 3.25Å; V136-I140 VanDerWaalsContact O-N 3.11Å; Q138-I140 PolarHBondContact O-N 2.97Å; I140-Y142 VanDerWaalsContact C-N 3.33Å; I140-Y142 PolarHBondContact O-N 3.06Å; I140-E143 PolarHBondContact O-N 3Å
141S91.2Very high92Very high5 Ų526 Ų264%0.03515%0.145CC..Hα-helixtrans-66-35.6-179.665.50000112.8A137 Q138 T139 L289A137-S141 WeakPolarHBondContact O-CB 3.47Å; A137-S141 PolarHBondContact O-N 2.82Å; A137-S141 PolarHBondContact O-OG 3.07Å; Q138-S141 PolarHBondContact O-N 3.3Å; Q138-S141 VanDerWaalsContact O-N 3.15Å; Q138-S141 PolarHBondContact O-OG 2.91Å; T139-S141 VanDerWaalsContact C-N 3.28Å; T139-S141 PolarHBondContact O-N 3.49Å; S141-L289 WeakPolarHBondContact OG-CD1 3.1Å
142Y90Very high92.4Very high1 Ų126 Ų260%0.00415%0.145CC..Hα-helixtrans-76.3-38.5176.7-72.3-70000113Q138 T139 I140 V144 T145 L146 A191 F198 L285 L289Q138-Y142 HydrophobicContact CG-CD2 3.71Å; Q138-Y142 HydrophobicContact CG-CE2 3.36Å; Q138-Y142 WeakPolarHBondContact O-CD2 3.45Å; Q138-Y142 PolarHBondContact O-N 3.48Å; Q138-Y142 VanDerWaalsContact O-N 3.15Å; T139-Y142 PolarHBondContact O-N 3.04Å; T139-Y142 VanDerWaalsContact O-N 3.14Å; I140-Y142 VanDerWaalsContact C-N 3.33Å; I140-Y142 PolarHBondContact O-N 3.06Å; Y142-V144 PolarHBondContact O-N 2.65Å; Y142-T145 PolarHBondContact O-N 2.86Å; Y142-T145 PolarHBondContact O-OG1 3.49Å; Y142-L146 WeakPolarHBondContact O-CB 3.36Å; Y142-L146 PolarHBondContact O-N 3.41Å; Y142-A191 HydrophobicContact CD1-CB 3.77Å; Y142-A191 HydrophobicContact CD2-CB 3.67Å; Y142-A191 HydrophobicContact CE1-CB 3.27Å; Y142-A191 HydrophobicContact CE2-CB 3.15Å; Y142-A191 HydrophobicContact CG-CB 3.98Å; Y142-A191 VanDerWaalsContact OH-CB 3.23Å; Y142-A191 WeakPolarHBondContact OH-CB 3.33Å; Y142-F198 WeakPolarHBondContact OH-CD1 3.46Å; Y142-L285 HydrophobicContact CE2-CD1 4.08Å; Y142-L285 HydrophobicContact CE2-CD2 3.63Å; Y142-L285 HydrophobicContact CE2-CG 4.22Å; Y142-L285 VanDerWaalsContact OH-CD1 3.25Å; Y142-L285 WeakPolarHBondContact OH-CD1 3.14Å; Y142-L285 WeakPolarHBondContact OH-CD2 3.48Å; Y142-L285 WeakPolarHBondContact OH-CG 3.23Å; Y142-L289 HydrophobicContact CD1-CD1 3.51Å; Y142-L289 HydrophobicContact CD1-CD2 3.18Å; Y142-L289 HydrophobicContact CD1-CG 3.75Å; Y142-L289 HydrophobicContact CD2-CD1 3.91Å; Y142-L289 HydrophobicContact CE1-CD1 3.34Å; Y142-L289 HydrophobicContact CE1-CD2 3.16Å; Y142-L289 HydrophobicContact CE1-CG 3.36Å; Y142-L289 HydrophobicContact CE2-CD1 3.75Å; Y142-L289 HydrophobicContact CG-CD1 3.76Å; Y142-L289 HydrophobicContact CG-CD2 4.16Å; Y142-L289 HydrophobicContact CG-CG 4.48Å; Y142-L289 VanDerWaalsContact CZ-CD1 3.42Å
143E91.8Very high92.5Very high44 Ų4426.1 Ų26.121%0.20615%0.146CC..Hα-helixtrans-54.3-39-179.7-83.6175.8-153.100112.6S110 V113 T139 I140 L146 A147S110-E143 VanDerWaalsContact CA-OE1 3.28Å; S110-E143 WeakPolarHBondContact CA-OE1 3.25Å; S110-E143 WeakPolarHBondContact CB-OE2 3.48Å; V113-E143 WeakPolarHBondContact CG2-OE1 3.47Å; T139-E143 WeakPolarHBondContact O-CG 3.44Å; T139-E143 PolarHBondContact O-N 2.75Å; I140-E143 PolarHBondContact O-N 3Å; E143-L146 PolarHBondContact O-N 3.21Å; E143-A147 WeakPolarHBondContact O-CB 3.38Å; E143-A147 PolarHBondContact O-N 3.1Å
144V94Very high92.6Very high58 Ų5822 Ų2235%0.35212%0.124SC..Hα-helixtrans-60.8-49.9177179.20000110.7Y142 I148 L294Y142-V144 PolarHBondContact O-N 2.65Å; V144-I148 HydrophobicContact CG1-CD1 4.05Å; V144-I148 WeakPolarHBondContact O-CD1 3.3Å; V144-I148 VanDerWaalsContact O-CG1 3.3Å; V144-I148 WeakPolarHBondContact O-CG1 3.47Å; V144-I148 PolarHBondContact O-N 2.9Å; V144-L294 HydrophobicContact CG1-CD1 3.81Å
145T93.6Very high92.8Very high1 Ų122.7 Ų22.71%0.00613%0.131CC..Hα-helixtrans-67.9-38.8178.957.40000112.1Y142 A147 I148 I149 L289 F293 L294Y142-T145 PolarHBondContact O-N 2.86Å; Y142-T145 PolarHBondContact O-OG1 3.49Å; T145-A147 PolarHBondContact O-N 3.35Å; T145-I148 PolarHBondContact O-N 2.81Å; T145-I149 WeakPolarHBondContact O-CB 3.46Å; T145-I149 WeakPolarHBondContact O-CD1 3.39Å; T145-I149 WeakPolarHBondContact O-CG1 3.47Å; T145-I149 PolarHBondContact O-N 3.36Å; T145-L289 HydrophobicContact CG2-CD2 4.05Å; T145-F293 HydrophobicContact CG2-CB 4.16Å; T145-L294 HydrophobicContact CG2-CB 4.46Å
146L93.5Very high93Very high5 Ų525.4 Ų25.43%0.02614%0.144CC..Hα-helixtrans-59.1-48178.2-16589.4000110.6L106 Y142 E143 I149 L150 W185 T189 E192L106-L146 HydrophobicContact CD2-CD2 3.7Å; L106-L146 HydrophobicContact CD2-CG 4.43Å; Y142-L146 WeakPolarHBondContact O-CB 3.36Å; Y142-L146 PolarHBondContact O-N 3.41Å; E143-L146 PolarHBondContact O-N 3.21Å; L146-I149 PolarHBondContact O-N 3.48Å; L146-L150 HydrophobicContact CD2-CD1 4.44Å; L146-L150 HydrophobicContact CG-CD1 4.21Å; L146-L150 WeakPolarHBondContact O-CB 3.38Å; L146-L150 WeakPolarHBondContact O-CD1 3.46Å; L146-L150 WeakPolarHBondContact O-CG 3.29Å; L146-L150 PolarHBondContact O-N 2.8Å; L146-W185 HydrophobicContact CB-CZ3 4.48Å; L146-W185 HydrophobicContact CD1-CE3 3.87Å; L146-W185 HydrophobicContact CD1-CH2 3.4Å; L146-W185 HydrophobicContact CD1-CZ2 4.15Å; L146-W185 HydrophobicContact CD1-CZ3 3.24Å; L146-W185 HydrophobicContact CD2-CH2 4.31Å; L146-W185 HydrophobicContact CD2-CZ3 4.43Å; L146-W185 HydrophobicContact CG-CE3 4.37Å; L146-W185 HydrophobicContact CG-CH2 3.74Å; L146-W185 HydrophobicContact CG-CZ3 3.44Å; L146-W185 VanDerWaalsContact CG-CZ3 3.44Å; L146-T189 HydrophobicContact CD1-CG2 4.15Å; L146-E192 WeakPolarHBondContact CD2-OE2 3.38Å
147A95.3Very high93.1Very high40 Ų4024.6 Ų24.633%0.33114%0.139SC..Hα-helixtrans-64-42.1179.300000112.6L106 E143 T145 L150 L151L106-A147 HydrophobicContact CD2-CB 4.44Å; E143-A147 WeakPolarHBondContact O-CB 3.38Å; E143-A147 PolarHBondContact O-N 3.1Å; T145-A147 PolarHBondContact O-N 3.35Å; A147-L150 PolarHBondContact O-N 3.07Å; A147-L151 WeakPolarHBondContact O-CB 3.48Å; A147-L151 PolarHBondContact O-N 3.18Å
148I95.8Very high93.1Very high28 Ų2824.7 Ų24.714%0.14414%0.143CC..Hα-helixtrans-67.6-43.3178.4-63.6165.2000110.8V144 T145 L151 S152 L298 L301V144-I148 HydrophobicContact CG1-CD1 4.05Å; V144-I148 WeakPolarHBondContact O-CD1 3.3Å; V144-I148 VanDerWaalsContact O-CG1 3.3Å; V144-I148 WeakPolarHBondContact O-CG1 3.47Å; V144-I148 PolarHBondContact O-N 2.9Å; T145-I148 PolarHBondContact O-N 2.81Å; I148-L151 PolarHBondContact O-N 3.33Å; I148-S152 PolarHBondContact O-N 3.39Å; I148-S152 PolarHBondContact O-OG 3.31Å; I148-L298 HydrophobicContact CD1-CD2 4.15Å; I148-L301 HydrophobicContact CG2-CB 4.16Å; I148-L301 HydrophobicContact CG2-CD2 4.28Å
149I96.4Very high93.3Very high0 Ų025.3 Ų25.30%015%0.148CC..Hα-helixtrans-61.1-47.8176.7-67.8163.3000109.9T145 L146 L151 S152 T153 L181 M184 W185 T297T145-I149 WeakPolarHBondContact O-CB 3.46Å; T145-I149 WeakPolarHBondContact O-CD1 3.39Å; T145-I149 WeakPolarHBondContact O-CG1 3.47Å; T145-I149 PolarHBondContact O-N 3.36Å; L146-I149 PolarHBondContact O-N 3.48Å; I149-L151 PolarHBondContact O-N 3.13Å; I149-S152 WeakPolarHBondContact CA-OG 3.4Å; I149-S152 PolarHBondContact O-N 2.9Å; I149-S152 VanDerWaalsContact O-N 3.16Å; I149-S152 PolarHBondContact O-OG 3.09Å; I149-T153 PolarHBondContact O-N 3.25Å; I149-T153 PolarHBondContact O-OG1 3.21Å; I149-L181 HydrophobicContact CG1-CD2 4.22Å; I149-L181 HydrophobicContact CG2-CB 4.12Å; I149-L181 HydrophobicContact CG2-CD2 4.22Å; I149-M184 HydrophobicContact CD1-CB 3.82Å; I149-W185 HydrophobicContact CB-CE3 4.3Å; I149-W185 HydrophobicContact CG2-CB 4.02Å; I149-W185 HydrophobicContact CG2-CE3 3.87Å; I149-T297 HydrophobicContact CD1-CG2 3.8Å; I149-T297 HydrophobicContact CG1-CG2 3.48Å; I149-T297 VanDerWaalsContact CG1-CG2 3.48Å
150L95Very high93.5Very high5 Ų528.4 Ų28.43%0.02616%0.16CC..Hα-helixtrans-57.8-48.7177-79.6162.9000112.1L102 L106 L146 A147 S152 T153 L154 W185 I241L102-L150 HydrophobicContact CD1-CD2 3.85Å; L102-L150 HydrophobicContact CD2-CB 3.97Å; L102-L150 HydrophobicContact CD2-CD1 3.62Å; L102-L150 HydrophobicContact CD2-CD2 3.59Å; L102-L150 HydrophobicContact CD2-CG 3.88Å; L102-L150 HydrophobicContact CG-CD2 4.26Å; L106-L150 HydrophobicContact CD1-CD1 3.8Å; L106-L150 HydrophobicContact CD2-CD1 3.67Å; L106-L150 HydrophobicContact CG-CD1 3.77Å; L146-L150 HydrophobicContact CD2-CD1 4.44Å; L146-L150 HydrophobicContact CG-CD1 4.21Å; L146-L150 WeakPolarHBondContact O-CB 3.38Å; L146-L150 WeakPolarHBondContact O-CD1 3.46Å; L146-L150 WeakPolarHBondContact O-CG 3.29Å; L146-L150 PolarHBondContact O-N 2.8Å; A147-L150 PolarHBondContact O-N 3.07Å; L150-S152 VanDerWaalsContact C-N 3.28Å; L150-S152 PolarHBondContact O-N 3.16Å; L150-T153 WeakPolarHBondContact CA-OG1 3.44Å; L150-T153 PolarHBondContact O-N 3.14Å; L150-T153 PolarHBondContact O-OG1 3.44Å; L150-L154 WeakPolarHBondContact O-CB 3.07Å; L150-L154 VanDerWaalsContact O-CG 3.26Å; L150-L154 WeakPolarHBondContact O-CG 3.13Å; L150-L154 PolarHBondContact O-N 2.9Å; L150-W185 HydrophobicContact CD1-CH2 3.67Å; L150-W185 HydrophobicContact CD1-CZ3 3.49Å; L150-W185 VanDerWaalsContact CD1-CZ3 3.49Å; L150-W185 HydrophobicContact CD2-CE3 4.36Å; L150-W185 HydrophobicContact CD2-CH2 3.84Å; L150-W185 HydrophobicContact CD2-CZ3 3.66Å; L150-W185 HydrophobicContact CG-CE3 4.17Å; L150-W185 HydrophobicContact CG-CH2 3.83Å; L150-W185 HydrophobicContact CG-CZ3 3.32Å; L150-I241 HydrophobicContact CD2-CD1 3.36Å; L150-I241 HydrophobicContact CD2-CG1 4.49Å
151L95.3Very high93.7Very high75 Ų7525 Ų2539%0.39314%0.143SC..Hα-helixtrans-55.3-47.1176.9-176.965.3000111.1A147 I148 I149 T153 L154 L155 L301A147-L151 WeakPolarHBondContact O-CB 3.48Å; A147-L151 PolarHBondContact O-N 3.18Å; I148-L151 PolarHBondContact O-N 3.33Å; I149-L151 PolarHBondContact O-N 3.13Å; L151-T153 PolarHBondContact O-N 3.08Å; L151-L154 PolarHBondContact O-N 3.12Å; L151-L155 WeakPolarHBondContact O-CG 3.18Å; L151-L155 PolarHBondContact O-N 2.9Å; L151-L155 VanDerWaalsContact O-N 3.15Å; L151-L301 HydrophobicContact CB-CD1 4.38Å; L151-L301 HydrophobicContact CD2-CD1 3.86Å; L151-L301 HydrophobicContact CD2-CD2 4.48Å; L151-L301 HydrophobicContact CG-CD1 4.01Å
152S95.2Very high93.8Very high0 Ų024.9 Ų24.90%014%0.142CC..Hα-helixtrans-63.5-37.1179.864.30000113.4I148 I149 L150 L181I148-S152 PolarHBondContact O-N 3.39Å; I148-S152 PolarHBondContact O-OG 3.31Å; I149-S152 WeakPolarHBondContact CA-OG 3.4Å; I149-S152 PolarHBondContact O-N 2.9Å; I149-S152 VanDerWaalsContact O-N 3.16Å; I149-S152 PolarHBondContact O-OG 3.09Å; L150-S152 VanDerWaalsContact C-N 3.28Å; L150-S152 PolarHBondContact O-N 3.16Å; S152-L181 WeakPolarHBondContact OG-CD1 3.46Å; S152-L181 WeakPolarHBondContact OG-CD2 3.45Å
153T93.8Very high93.9Very high1 Ų126.4 Ų26.41%0.00615%0.153CC..Hα-helixtrans-69.9-38.1173.957.60000112.4I149 L150 L151 L155 M156 L174 L181 I241 F242I149-T153 PolarHBondContact O-N 3.25Å; I149-T153 PolarHBondContact O-OG1 3.21Å; L150-T153 WeakPolarHBondContact CA-OG1 3.44Å; L150-T153 PolarHBondContact O-N 3.14Å; L150-T153 PolarHBondContact O-OG1 3.44Å; L151-T153 PolarHBondContact O-N 3.08Å; T153-L155 VanDerWaalsContact C-N 3.28Å; T153-L155 PolarHBondContact O-N 3.23Å; T153-M156 WeakPolarHBondContact O-CB 3.39Å; T153-M156 PolarHBondContact O-N 3.09Å; T153-M156 VanDerWaalsContact O-N 3.13Å; T153-L174 HydrophobicContact CG2-CD2 4.18Å; T153-L181 HydrophobicContact CG2-CB 4.42Å; T153-L181 HydrophobicContact CG2-CD1 4Å; T153-I241 HydrophobicContact CG2-CG2 4.32Å; T153-F242 HydrophobicContact CG2-CE1 3.7Å; T153-F242 HydrophobicContact CG2-CZ 3.71Å
154L93.7Very high94Very high10 Ų1025.4 Ų25.45%0.05215%0.15CC..Hα-helixtrans-69.7-24.8-177.7-74.5177.1000113L102 L150 L151 M156 S157 G158 S159 F160 L165L102-L154 HydrophobicContact CB-CD1 4.44Å; L102-L154 HydrophobicContact CD1-CD1 4.02Å; L102-L154 HydrophobicContact CD1-CD2 3.78Å; L102-L154 HydrophobicContact CD1-CG 4.14Å; L102-L154 HydrophobicContact CD2-CD1 4.16Å; L102-L154 HydrophobicContact CG-CD1 4.42Å; L150-L154 WeakPolarHBondContact O-CB 3.07Å; L150-L154 VanDerWaalsContact O-CG 3.26Å; L150-L154 WeakPolarHBondContact O-CG 3.13Å; L150-L154 PolarHBondContact O-N 2.9Å; L151-L154 PolarHBondContact O-N 3.12Å; L154-M156 PolarHBondContact O-N 2.97Å; L154-M156 VanDerWaalsContact O-N 3.16Å; L154-S157 WeakPolarHBondContact CA-OG 3.21Å; L154-S157 WeakPolarHBondContact CD2-OG 3.43Å; L154-S157 WeakPolarHBondContact O-CA 3.4Å; L154-S157 PolarHBondContact O-N 2.86Å; L154-S157 PolarHBondContact O-OG 3.43Å; L154-G158 PolarHBondContact O-N 2.95Å; L154-S159 WeakPolarHBondContact CD2-O 3.49Å; L154-F160 HydrophobicContact CD1-CD1 3.33Å; L154-F160 HydrophobicContact CD1-CE1 3.49Å; L154-F160 VanDerWaalsContact CD1-CE1 3.49Å; L154-F160 HydrophobicContact CD1-CG 4.31Å; L154-L165 HydrophobicContact CD2-CD1 4.47Å
155L94.2Very high94Very high55 Ų5522.7 Ų22.729%0.28813%0.133SC..THydrogen-bonded Turntrans-58.9-23.4171.8-70.3171.1000113L151 T153 L301 V305 P315L151-L155 WeakPolarHBondContact O-CG 3.18Å; L151-L155 PolarHBondContact O-N 2.9Å; L151-L155 VanDerWaalsContact O-N 3.15Å; T153-L155 VanDerWaalsContact C-N 3.28Å; T153-L155 PolarHBondContact O-N 3.23Å; L155-L301 HydrophobicContact CD1-CD1 4.3Å; L155-V305 HydrophobicContact CD1-CB 4.39Å; L155-V305 HydrophobicContact CD1-CG2 3.5Å; L155-P315 WeakPolarHBondContact O-CD 3.17Å; L155-P315 WeakPolarHBondContact O-CG 3.22Å
156M92.5Very high94Very high57 Ų5723.3 Ų23.328%0.28114%0.136SC..THydrogen-bonded Turntrans-82.4-20.3172.4-62.2-172.860.400113.2T153 L154 L174 P177 Y304 P315T153-M156 WeakPolarHBondContact O-CB 3.39Å; T153-M156 PolarHBondContact O-N 3.09Å; T153-M156 VanDerWaalsContact O-N 3.13Å; L154-M156 PolarHBondContact O-N 2.97Å; L154-M156 VanDerWaalsContact O-N 3.16Å; M156-L174 HydrophobicContact CB-CD1 4.14Å; M156-L174 HydrophobicContact CE-CD1 4.2Å; M156-L174 HydrophobicContact SD-CD1 4.34Å; M156-L174 HydrophobicContact SD-CG 4.41Å; M156-P177 HydrophobicContact CE-CB 3.8Å; M156-P177 HydrophobicContact CE-CG 3.51Å; M156-P177 HydrophobicContact SD-CB 4.3Å; M156-P177 HydrophobicContact SD-CG 4.17Å; M156-Y304 HydrophobicContact CG-CD1 4.2Å; M156-Y304 HydrophobicContact SD-CD1 4.08Å; M156-Y304 HydrophobicContact SD-CE1 3.8Å; M156-P315 WeakPolarHBondContact O-CB 3.48Å; M156-P315 WeakPolarHBondContact O-CG 3.3Å
157S93.1Very high93.9Very high4 Ų427 Ų273%0.02816%0.159CC..THydrogen-bonded Turntrans-95-29-179.4730000114.4L154 S159L154-S157 WeakPolarHBondContact CA-OG 3.21Å; L154-S157 WeakPolarHBondContact CD2-OG 3.43Å; L154-S157 WeakPolarHBondContact O-CA 3.4Å; L154-S157 PolarHBondContact O-N 2.86Å; L154-S157 PolarHBondContact O-OG 3.43Å; S157-S159 VanDerWaalsContact C-N 3.29Å; S157-S159 PolarHBondContact O-N 3.28Å; S157-S159 PolarHBondContact OG-O 3.21Å; S157-S159 VanDerWaalsContact OG-O 3.11Å
158G92.2Very high93.8Very high30 Ų3027.2 Ų27.231%0.30916%0.157SC..SBendtrans82.5-11.8-18000000115.8L154 P315L154-G158 PolarHBondContact O-N 2.95Å; G158-P315 VanDerWaalsContact N-CG 3.29Å
159S93.8Very high93.8Very high14 Ų1426 Ų2610%0.09815%0.15CC..SBendtrans-144.6158.5-176.756.80000112.5L154 S157 N161 T164L154-S159 WeakPolarHBondContact CD2-O 3.49Å; S157-S159 VanDerWaalsContact C-N 3.29Å; S157-S159 PolarHBondContact O-N 3.28Å; S157-S159 PolarHBondContact OG-O 3.21Å; S157-S159 VanDerWaalsContact OG-O 3.11Å; S159-N161 VanDerWaalsContact C-N 3.32Å; S159-T164 VanDerWaalsContact OG-CB 3.31Å; S159-T164 WeakPolarHBondContact OG-CB 3.44Å; S159-T164 WeakPolarHBondContact OG-CG2 2.99Å; S159-T164 PolarHBondContact OG-OG1 2.75Å
160F93.5Very high93.5Very high72 Ų7230.3 Ų30.332%0.31617%0.17SC..SBendtrans-89.13.3178.3-69.5-85.1000113.6N99 L100 G101 L102 L103 L154N99-F160 CarbonylContact O-C 3.41Å; L100-F160 HydrophobicContact CD2-CB 4.03Å; L100-F160 HydrophobicContact CD2-CD2 4.12Å; L100-F160 HydrophobicContact CD2-CG 4.33Å; G101-F160 PolarHBondContact N-O 3.4Å; L102-F160 PolarHBondContact N-O 2.8Å; L102-F160 VanDerWaalsContact N-O 3.08Å; L103-F160 HydrophobicContact CD1-CD1 3.86Å; L103-F160 HydrophobicContact CD1-CD2 4.27Å; L103-F160 HydrophobicContact CD1-CE1 4.1Å; L103-F160 HydrophobicContact CD1-CE2 4.48Å; L103-F160 HydrophobicContact CD1-CG 3.97Å; L103-F160 HydrophobicContact CD1-CZ 4.41Å; L103-F160 HydrophobicContact CD2-CE1 4.39Å; L103-F160 HydrophobicContact CG-CD1 3.8Å; L103-F160 HydrophobicContact CG-CE1 4.08Å; L103-F160 HydrophobicContact CG-CG 4.33Å; L154-F160 HydrophobicContact CD1-CD1 3.33Å; L154-F160 HydrophobicContact CD1-CE1 3.49Å; L154-F160 VanDerWaalsContact CD1-CE1 3.49Å; L154-F160 HydrophobicContact CD1-CG 4.31Å
161N94.4Very high93.3Very high21 Ų2138.4 Ų38.411%0.11221%0.208CC..  trans-76.3136.8178.5-166.4-12.9000109.2N97 L98 N99 S159 S163 T164N97-N161 PolarHBondContact OD1-ND2 3.26Å; N97-N161 VanDerWaalsContact OD1-ND2 3.08Å; N97-N161 PolarHBondContact OD1-OD1 3.18Å; L98-N161 PolarHBondContact O-OD1 3.48Å; N99-N161 PolarHBondContact O-N 2.86Å; S159-N161 VanDerWaalsContact C-N 3.32Å; N161-S163 VanDerWaalsContact C-N 3.34Å; N161-S163 VanDerWaalsContact CG-OG 3.32Å; N161-S163 PolarHBondContact ND2-OG 3.1Å; N161-S163 VanDerWaalsContact ND2-OG 3.16Å; N161-S163 PolarHBondContact OD1-N 3.48Å; N161-S163 VanDerWaalsContact OD1-N 3.16Å; N161-S163 PolarHBondContact OD1-OG 3.32Å; N161-T164 HydrophobicContact CB-CG2 4.1Å; N161-T164 PolarHBondContact O-OG1 3.42Å
162L92.8Very high93.2Very high1 Ų140.4 Ų40.41%0.00522%0.218CC..Hα-helixtrans-75.8-25178-68.1170.2000112.1P88 L89 P90 L102 I105 T164 L165P88-L162 HydrophobicContact CB-CD1 4.14Å; P88-L162 HydrophobicContact CG-CD1 4.28Å; P88-L162 WeakPolarHBondContact O-CD1 3.43Å; L89-L162 HydrophobicContact CD2-CD1 4.39Å; P90-L162 HydrophobicContact CG-CB 3.9Å; L102-L162 HydrophobicContact CB-CD2 4.2Å; L102-L162 HydrophobicContact CD1-CD2 3.8Å; L102-L162 HydrophobicContact CG-CD2 4.1Å; I105-L162 HydrophobicContact CD1-CD1 3.65Å; L162-T164 VanDerWaalsContact C-N 3.33Å; L162-L165 HydrophobicContact CD2-CD1 3.9Å; L162-L165 WeakPolarHBondContact O-CB 3.4Å; L162-L165 PolarHBondContact O-N 3.35Å
163S92.6Very high93.2Very high33 Ų3346.2 Ų46.223%0.23124%0.24CC..Hα-helixtrans-70.3-30.5177.764.60000112.5N161 L165 I166N161-S163 VanDerWaalsContact C-N 3.34Å; N161-S163 VanDerWaalsContact CG-OG 3.32Å; N161-S163 PolarHBondContact ND2-OG 3.1Å; N161-S163 VanDerWaalsContact ND2-OG 3.16Å; N161-S163 PolarHBondContact OD1-N 3.48Å; N161-S163 VanDerWaalsContact OD1-N 3.16Å; N161-S163 PolarHBondContact OD1-OG 3.32Å; S163-L165 VanDerWaalsContact C-N 3.28Å; S163-L165 PolarHBondContact O-N 2.78Å; S163-I166 WeakPolarHBondContact O-CB 3.48Å; S163-I166 PolarHBondContact O-N 3.3Å
164T93.1Very high93.2Very high23 Ų2346.4 Ų46.414%0.14124%0.241CC..Hα-helixtrans-71.5-24.1176.754.50000111.8S159 N161 L162 I166 T167 T168S159-T164 VanDerWaalsContact OG-CB 3.31Å; S159-T164 WeakPolarHBondContact OG-CB 3.44Å; S159-T164 WeakPolarHBondContact OG-CG2 2.99Å; S159-T164 PolarHBondContact OG-OG1 2.75Å; N161-T164 HydrophobicContact CB-CG2 4.1Å; N161-T164 PolarHBondContact O-OG1 3.42Å; L162-T164 VanDerWaalsContact C-N 3.33Å; T164-I166 PolarHBondContact O-N 2.88Å; T164-T167 PolarHBondContact O-N 2.96Å; T164-T167 PolarHBondContact O-OG1 2.66Å; T164-T168 WeakPolarHBondContact O-CG2 3.07Å; T164-T168 PolarHBondContact O-N 3.16Å
165L94.2Very high93.3Very high1 Ų148.9 Ų48.91%0.00525%0.254CS..Hα-helixtrans-61.3-28.8171-79.1167.1000112.4L102 L154 L162 S163 T168 Q169 I241L102-L165 HydrophobicContact CD1-CD1 4.27Å; L154-L165 HydrophobicContact CD2-CD1 4.47Å; L162-L165 HydrophobicContact CD2-CD1 3.9Å; L162-L165 WeakPolarHBondContact O-CB 3.4Å; L162-L165 PolarHBondContact O-N 3.35Å; S163-L165 VanDerWaalsContact C-N 3.28Å; S163-L165 PolarHBondContact O-N 2.78Å; L165-T168 VanDerWaalsContact CA-OG1 3.32Å; L165-T168 WeakPolarHBondContact CA-OG1 3.18Å; L165-T168 PolarHBondContact O-OG1 3.17Å; L165-Q169 WeakPolarHBondContact O-CG 3.47Å; L165-Q169 PolarHBondContact O-N 3.33Å; L165-Q169 PolarHBondContact O-NE2 2.92Å; L165-I241 HydrophobicContact CD1-CG1 4.1Å
166I93.6Very high93.3Very high14 Ų1451.4 Ų51.47%0.07227%0.267CS..Hα-helixtrans-65.8-48.8175.6-58.9176.8000110.2P90 S163 T164 T168 Q169 Y255P90-I166 HydrophobicContact CB-CD1 3.86Å; P90-I166 HydrophobicContact CG-CD1 4.17Å; S163-I166 WeakPolarHBondContact O-CB 3.48Å; S163-I166 PolarHBondContact O-N 3.3Å; T164-I166 PolarHBondContact O-N 2.88Å; I166-T168 VanDerWaalsContact C-N 3.31Å; I166-T168 PolarHBondContact O-N 3.11Å; I166-Q169 PolarHBondContact O-N 3.42Å; I166-Y255 HydrophobicContact CD1-CE1 4.4Å; I166-Y255 HydrophobicContact CD1-CE2 3.92Å; I166-Y255 VanDerWaalsContact CD1-OH 3.26Å; I166-Y255 WeakPolarHBondContact CD1-OH 3.38Å; I166-Y255 HydrophobicContact CG1-CE2 4.17Å; I166-Y255 WeakPolarHBondContact CG1-OH 3.39Å; I166-Y255 HydrophobicContact CG2-CE2 3.72Å
167T92.1Very high93.3Very high82 Ų8251.6 Ų51.650%0.50327%0.273SS..Hα-helixtrans-66.5-35.6-179.458.60000111.4T164 Q169 E170T164-T167 PolarHBondContact O-N 2.96Å; T164-T167 PolarHBondContact O-OG1 2.66Å; T167-Q169 PolarHBondContact O-N 2.77Å; T167-E170 WeakPolarHBondContact O-CG 3.42Å; T167-E170 PolarHBondContact O-N 3.27Å
168T93.5Very high93.4Very high46 Ų4651.4 Ų51.428%0.28227%0.272SS..Hα-helixtrans-65-22.7177.964.50000113.7T164 L165 I166T164-T168 WeakPolarHBondContact O-CG2 3.07Å; T164-T168 PolarHBondContact O-N 3.16Å; L165-T168 VanDerWaalsContact CA-OG1 3.32Å; L165-T168 WeakPolarHBondContact CA-OG1 3.18Å; L165-T168 PolarHBondContact O-OG1 3.17Å; I166-T168 VanDerWaalsContact C-N 3.31Å; I166-T168 PolarHBondContact O-N 3.11Å
169Q93.9Very high93.6Very high2 Ų257.8 Ų57.81%0.00929%0.286CS..THydrogen-bonded Turntrans-10613.8-174.9-66.3176.652.400113.4L165 I166 T167 H171 L172 L174 T240 I241L165-Q169 WeakPolarHBondContact O-CG 3.47Å; L165-Q169 PolarHBondContact O-N 3.33Å; L165-Q169 PolarHBondContact O-NE2 2.92Å; I166-Q169 PolarHBondContact O-N 3.42Å; T167-Q169 PolarHBondContact O-N 2.77Å; Q169-H171 VanDerWaalsContact C-N 3.34Å; Q169-H171 PolarHBondContact O-N 3.16Å; Q169-L172 WeakPolarHBondContact CA-O 3.39Å; Q169-L174 HydrophobicContact CG-CB 4.16Å; Q169-L174 HydrophobicContact CG-CD1 4.36Å; Q169-T240 PolarHBondContact NE2-O 3.21Å; Q169-I241 PolarHBondContact NE2-O 3.42Å
170E91.1Very high93.7Very high90 Ų9058.5 Ų58.542%0.42129%0.291SS..SBendtrans-61.5-40.7179.8-77.5-178.8-173.900112.8T167T167-E170 WeakPolarHBondContact O-CG 3.42Å; T167-E170 PolarHBondContact O-N 3.27Å
171H90.4Very high93.8Very high176 Ų17655 Ų5582%0.81528%0.276SS*.SBendtrans-90-44.2-177.6-62.1-44.1000113.2Q169Q169-H171 VanDerWaalsContact C-N 3.34Å; Q169-H171 PolarHBondContact O-N 3.16Å
172L93.6Very high93.9Very high116 Ų11654.6 Ų54.661%0.60728%0.275SS*.SBendtrans-141.1138.6-174.8-69.8170.3000109.1Q169 L176Q169-L172 WeakPolarHBondContact CA-O 3.39Å; L172-L176 HydrophobicContact CD2-CD1 4.25Å
173W95Very high94Very high122 Ų12260.3 Ų60.346%0.46230%0.303SS..  trans-65.8139172.3-63.3-17.9000110.6L175 L176 P177 L243 G244W173-L175 PolarHBondContact O-N 2.89Å; W173-L175 VanDerWaalsContact O-N 3.12Å; W173-L176 PolarHBondContact O-N 2.95Å; W173-L176 VanDerWaalsContact O-N 3.13Å; W173-P177 VanDerWaalsContact O-CD 3.23Å; W173-P177 WeakPolarHBondContact O-CD 3.41Å; W173-L243 HydrophobicContact CD2-CD2 4.3Å; W173-L243 HydrophobicContact CE3-CD2 3.86Å; W173-L243 HydrophobicContact CZ3-CD2 4.31Å; W173-G244 PolarHBondContact NE1-O 3.42Å
174L94.9Very high94.2Very high6 Ų659.1 Ų59.13%0.03129%0.294CS..THydrogen-bonded Turntrans-62.7-22.5179.1-143.189.2000111.9T153 M156 Q169 L176 P177 S178 I241 F242T153-L174 HydrophobicContact CG2-CD2 4.18Å; M156-L174 HydrophobicContact CB-CD1 4.14Å; M156-L174 HydrophobicContact CE-CD1 4.2Å; M156-L174 HydrophobicContact SD-CD1 4.34Å; M156-L174 HydrophobicContact SD-CG 4.41Å; Q169-L174 HydrophobicContact CG-CB 4.16Å; Q169-L174 HydrophobicContact CG-CD1 4.36Å; L174-L176 PolarHBondContact O-N 3.15Å; L174-P177 VanDerWaalsContact O-CD 3.23Å; L174-P177 WeakPolarHBondContact O-CD 3.42Å; L174-P177 WeakPolarHBondContact O-CG 3.09Å; L174-S178 WeakPolarHBondContact O-CB 3.18Å; L174-S178 PolarHBondContact O-N 3.44Å; L174-S178 VanDerWaalsContact O-N 3.08Å; L174-S178 PolarHBondContact O-OG 3.45Å; L174-I241 VanDerWaalsContact CB-O 3.25Å; L174-I241 WeakPolarHBondContact CB-O 3.32Å; L174-I241 HydrophobicContact CD2-CG2 4.45Å; L174-F242 PolarHBondContact N-O 2.72Å
175L94.7Very high94.3Very high62 Ų6258.1 Ų58.133%0.32529%0.288SS..THydrogen-bonded Turntrans-55.6-36174.6-171.1139.9000113.1W173 S178 W179 A182 F242 L243W173-L175 PolarHBondContact O-N 2.89Å; W173-L175 VanDerWaalsContact O-N 3.12Å; L175-S178 CarbonylContact O-C 3.31Å; L175-W179 WeakPolarHBondContact O-CA 3.43Å; L175-W179 VanDerWaalsContact O-CB 3.28Å; L175-W179 WeakPolarHBondContact O-CB 3.4Å; L175-W179 PolarHBondContact O-N 3.37Å; L175-A182 HydrophobicContact CD1-CB 4.38Å; L175-A182 HydrophobicContact CG-CB 4.26Å; L175-F242 HydrophobicContact CB-CB 4.14Å; L175-F242 WeakPolarHBondContact CB-O 3.24Å; L175-F242 PolarHBondContact N-O 2.81Å; L175-F242 VanDerWaalsContact N-O 3.1Å; L175-L243 HydrophobicContact CB-CD2 4.25Å; L175-L243 HydrophobicContact CD1-CD2 3.93Å; L175-L243 HydrophobicContact CD1-CG 4.36Å
176L93.9Very high94.4Very high107 Ų10760 Ų6056%0.5630%0.295SS*.THydrogen-bonded Turntrans-68.1-54.6-176.6-67.9172000112.9L172 W173 L174 S178L172-L176 HydrophobicContact CD2-CD1 4.25Å; W173-L176 PolarHBondContact O-N 2.95Å; W173-L176 VanDerWaalsContact O-N 3.13Å; L174-L176 PolarHBondContact O-N 3.15Å; L176-S178 VanDerWaalsContact C-N 3.27Å; L176-S178 PolarHBondContact O-N 3.12Å
177P93.6Very high94.4Very high62 Ų6261.5 Ų61.540%0.40330%0.304SS..THydrogen-bonded Turntrans-72.1-21176.828.8-36.1000113.2M156 W173 L174 Y304M156-P177 HydrophobicContact CE-CB 3.8Å; M156-P177 HydrophobicContact CE-CG 3.51Å; M156-P177 HydrophobicContact SD-CB 4.3Å; M156-P177 HydrophobicContact SD-CG 4.17Å; W173-P177 VanDerWaalsContact O-CD 3.23Å; W173-P177 WeakPolarHBondContact O-CD 3.41Å; L174-P177 VanDerWaalsContact O-CD 3.23Å; L174-P177 WeakPolarHBondContact O-CD 3.42Å; L174-P177 WeakPolarHBondContact O-CG 3.09Å; P177-Y304 PolarHBondContact O-OH 3.36Å
178S95Very high94.4Very high0 Ų057.6 Ų57.60%028%0.28CS..THydrogen-bonded Turntrans-119.829.3-175.473.50000115.3L174 L175 L176 P180 L181 A182 F242 Y304L174-S178 WeakPolarHBondContact O-CB 3.18Å; L174-S178 PolarHBondContact O-N 3.44Å; L174-S178 VanDerWaalsContact O-N 3.08Å; L174-S178 PolarHBondContact O-OG 3.45Å; L175-S178 CarbonylContact O-C 3.31Å; L176-S178 VanDerWaalsContact C-N 3.27Å; L176-S178 PolarHBondContact O-N 3.12Å; S178-P180 VanDerWaalsContact C-N 3.34Å; S178-L181 CarbonylContact O-C 3.58Å; S178-L181 WeakPolarHBondContact O-CA 3.49Å; S178-L181 WeakPolarHBondContact O-CB 3.26Å; S178-L181 PolarHBondContact O-N 2.83Å; S178-A182 PolarHBondContact O-N 3.24Å; S178-F242 WeakPolarHBondContact OG-CE1 3.42Å; S178-Y304 VanDerWaalsContact CA-OH 3.23Å; S178-Y304 WeakPolarHBondContact CA-OH 3.11Å
179W95.5Very high94.5Very high163 Ų16355.4 Ų55.462%0.61727%0.266SS*.Hα-helixtrans-54.3-36.8-17776-94.5000115L175 A182 M183L175-W179 WeakPolarHBondContact O-CA 3.43Å; L175-W179 VanDerWaalsContact O-CB 3.28Å; L175-W179 WeakPolarHBondContact O-CB 3.4Å; L175-W179 PolarHBondContact O-N 3.37Å; W179-A182 PolarHBondContact O-N 3.13Å; W179-M183 PolarHBondContact O-N 3.14Å
180P96.2Very high94.4Very high29 Ų2955.6 Ų55.619%0.18827%0.267CS..Hα-helixtrans-68.7-38.7177.5-16.231.7000111.3S178 M183 M184 L300S178-P180 VanDerWaalsContact C-N 3.34Å; P180-M183 PolarHBondContact O-N 3.34Å; P180-M184 WeakPolarHBondContact O-CG 3.47Å; P180-M184 PolarHBondContact O-N 3.34Å; P180-M184 VanDerWaalsContact O-N 3.1Å; P180-L300 HydrophobicContact CB-CD1 3.97Å
181L96Very high94.4Very high0 Ų051.3 Ų51.30%025%0.247CC..Hα-helixtrans-65.2-43.7174.4-68.2177000110.7I149 S152 T153 S178 M183 M184 W185 L300 Y304I149-L181 HydrophobicContact CG1-CD2 4.22Å; I149-L181 HydrophobicContact CG2-CB 4.12Å; I149-L181 HydrophobicContact CG2-CD2 4.22Å; S152-L181 WeakPolarHBondContact OG-CD1 3.46Å; S152-L181 WeakPolarHBondContact OG-CD2 3.45Å; T153-L181 HydrophobicContact CG2-CB 4.42Å; T153-L181 HydrophobicContact CG2-CD1 4Å; S178-L181 CarbonylContact O-C 3.58Å; S178-L181 WeakPolarHBondContact O-CA 3.49Å; S178-L181 WeakPolarHBondContact O-CB 3.26Å; S178-L181 PolarHBondContact O-N 2.83Å; L181-M183 VanDerWaalsContact C-N 3.33Å; L181-M183 PolarHBondContact O-N 3.07Å; L181-M184 HydrophobicContact CD2-CE 3.88Å; L181-M184 PolarHBondContact O-N 3.37Å; L181-W185 WeakPolarHBondContact O-CB 3.43Å; L181-W185 PolarHBondContact O-N 2.92Å; L181-L300 HydrophobicContact CD2-CB 3.91Å; L181-L300 HydrophobicContact CD2-CD1 3.77Å; L181-L300 HydrophobicContact CD2-CG 4.46Å; L181-L300 HydrophobicContact CG-CD1 4.21Å; L181-Y304 HydrophobicContact CD1-CD2 3.55Å; L181-Y304 HydrophobicContact CD1-CE1 4.5Å; L181-Y304 HydrophobicContact CD1-CE2 3.15Å; L181-Y304 HydrophobicContact CD1-CG 4.42Å; L181-Y304 HydrophobicContact CG-CD2 4.45Å; L181-Y304 HydrophobicContact CG-CE2 3.8Å
182A96Very high94.4Very high11 Ų1144.1 Ų44.19%0.09121%0.214CC..Hα-helixtrans-60.2-41.2178.100000112.1L175 S178 W179 W185 F186 F242L175-A182 HydrophobicContact CD1-CB 4.38Å; L175-A182 HydrophobicContact CG-CB 4.26Å; S178-A182 PolarHBondContact O-N 3.24Å; W179-A182 PolarHBondContact O-N 3.13Å; A182-W185 WeakPolarHBondContact O-CB 3.36Å; A182-F186 WeakPolarHBondContact O-CB 3.33Å; A182-F186 PolarHBondContact O-N 2.84Å; A182-F242 HydrophobicContact CB-CD1 3.54Å; A182-F242 HydrophobicContact CB-CD2 4.31Å; A182-F242 HydrophobicContact CB-CE1 3.59Å; A182-F242 HydrophobicContact CB-CE2 4.37Å; A182-F242 HydrophobicContact CB-CG 3.9Å; A182-F242 HydrophobicContact CB-CZ 4.02Å
183M95.2Very high94.3Very high121 Ų12139 Ų3960%0.59619%0.187SC*.Hα-helixtrans-67.1-46.7177-176.8176.8-85.100111.7W179 P180 L181 W185 F186 I187W179-M183 PolarHBondContact O-N 3.14Å; P180-M183 PolarHBondContact O-N 3.34Å; L181-M183 VanDerWaalsContact C-N 3.33Å; L181-M183 PolarHBondContact O-N 3.07Å; M183-W185 VanDerWaalsContact C-N 3.32Å; M183-W185 PolarHBondContact O-N 2.94Å; M183-F186 PolarHBondContact O-N 3.46Å; M183-I187 HydrophobicContact CG-CD1 4.39Å; M183-I187 WeakPolarHBondContact O-CG1 3.44Å; M183-I187 PolarHBondContact O-N 3.44Å
184M96.2Very high93.8Very high8 Ų834 Ų344%0.03917%0.17CC..Hα-helixtrans-63.9-40.1176.9-69.3-172.4-65.100111.9I149 P180 L181 F186 I187 S188 F293 L296 T297 L300I149-M184 HydrophobicContact CD1-CB 3.82Å; P180-M184 WeakPolarHBondContact O-CG 3.47Å; P180-M184 PolarHBondContact O-N 3.34Å; P180-M184 VanDerWaalsContact O-N 3.1Å; L181-M184 HydrophobicContact CD2-CE 3.88Å; L181-M184 PolarHBondContact O-N 3.37Å; M184-F186 VanDerWaalsContact C-N 3.35Å; M184-F186 PolarHBondContact O-N 3.01Å; M184-I187 PolarHBondContact O-N 3.06Å; M184-S188 PolarHBondContact O-N 3.43Å; M184-S188 PolarHBondContact O-OG 3.14Å; M184-F293 HydrophobicContact CG-CD1 4.28Å; M184-F293 HydrophobicContact CG-CE1 4.29Å; M184-F293 HydrophobicContact SD-CD1 4.3Å; M184-L296 HydrophobicContact CE-CD2 4.29Å; M184-L296 HydrophobicContact CE-CG 4.22Å; M184-L296 HydrophobicContact SD-CB 4.19Å; M184-L296 HydrophobicContact SD-CD2 3.64Å; M184-L296 HydrophobicContact SD-CG 3.96Å; M184-T297 HydrophobicContact CE-CG2 3.55Å; M184-T297 HydrophobicContact SD-CG2 3.72Å; M184-L300 HydrophobicContact CE-CD1 3.36Å
185W96Very high93.2Very high3 Ų334.4 Ų34.41%0.01117%0.171CC..Hα-helixtrans-57.7-46.1175.2172.6-94.1000112.3L146 I149 L150 L181 A182 M183 I187 S188 T189 L237 I241 F242L146-W185 HydrophobicContact CB-CZ3 4.48Å; L146-W185 HydrophobicContact CD1-CE3 3.87Å; L146-W185 HydrophobicContact CD1-CH2 3.4Å; L146-W185 HydrophobicContact CD1-CZ2 4.15Å; L146-W185 HydrophobicContact CD1-CZ3 3.24Å; L146-W185 HydrophobicContact CD2-CH2 4.31Å; L146-W185 HydrophobicContact CD2-CZ3 4.43Å; L146-W185 HydrophobicContact CG-CE3 4.37Å; L146-W185 HydrophobicContact CG-CH2 3.74Å; L146-W185 HydrophobicContact CG-CZ3 3.44Å; L146-W185 VanDerWaalsContact CG-CZ3 3.44Å; I149-W185 HydrophobicContact CB-CE3 4.3Å; I149-W185 HydrophobicContact CG2-CB 4.02Å; I149-W185 HydrophobicContact CG2-CE3 3.87Å; L150-W185 HydrophobicContact CD1-CH2 3.67Å; L150-W185 HydrophobicContact CD1-CZ3 3.49Å; L150-W185 VanDerWaalsContact CD1-CZ3 3.49Å; L150-W185 HydrophobicContact CD2-CE3 4.36Å; L150-W185 HydrophobicContact CD2-CH2 3.84Å; L150-W185 HydrophobicContact CD2-CZ3 3.66Å; L150-W185 HydrophobicContact CG-CE3 4.17Å; L150-W185 HydrophobicContact CG-CH2 3.83Å; L150-W185 HydrophobicContact CG-CZ3 3.32Å; L181-W185 WeakPolarHBondContact O-CB 3.43Å; L181-W185 PolarHBondContact O-N 2.92Å; A182-W185 WeakPolarHBondContact O-CB 3.36Å; M183-W185 VanDerWaalsContact C-N 3.32Å; M183-W185 PolarHBondContact O-N 2.94Å; W185-I187 VanDerWaalsContact C-N 3.3Å; W185-I187 PolarHBondContact O-N 3.21Å; W185-S188 WeakPolarHBondContact CA-OG 3.07Å; W185-S188 PolarHBondContact O-N 2.72Å; W185-S188 PolarHBondContact O-OG 3.2Å; W185-T189 HydrophobicContact CD2-CG2 4.21Å; W185-T189 VanDerWaalsContact CE2-CG2 3.5Å; W185-T189 HydrophobicContact CH2-CG2 4.21Å; W185-T189 HydrophobicContact CZ2-CG2 3.44Å; W185-T189 VanDerWaalsContact CZ2-CG2 3.44Å; W185-T189 WeakPolarHBondContact O-CG2 3.1Å; W185-T189 PolarHBondContact O-N 2.86Å; W185-T189 PolarHBondContact O-OG1 3.44Å; W185-L237 HydrophobicContact CH2-CD2 3.57Å; W185-L237 HydrophobicContact CZ2-CD2 3.09Å; W185-I241 HydrophobicContact CH2-CD1 4.41Å; W185-I241 HydrophobicContact CZ2-CD1 4.18Å; W185-F242 HydrophobicContact CB-CE2 3.78Å; W185-F242 HydrophobicContact CB-CZ 3.99Å; W185-F242 AromaticContact CD1-CD2 3.93Å; W185-F242 AromaticContact CD1-CE2 3.37Å; W185-F242 HydrophobicContact CD2-CE2 4.01Å; W185-F242 HydrophobicContact CG-CD2 4.36Å; W185-F242 AromaticContact CG-CE2 3.4Å; W185-F242 HydrophobicContact CG-CE2 3.4Å; W185-F242 HydrophobicContact CG-CZ 4.05Å; W185-F242 AromaticContact NE1-CE2 3.93Å
186F95.1Very high92.6Very high39 Ų3932 Ų3217%0.17116%0.158CC..Hα-helixtrans-65.9-36.5-179.7-173.3-98.9000111.5A182 M183 M184 T189 L190 L266 L269 F270 I273A182-F186 WeakPolarHBondContact O-CB 3.33Å; A182-F186 PolarHBondContact O-N 2.84Å; M183-F186 PolarHBondContact O-N 3.46Å; M184-F186 VanDerWaalsContact C-N 3.35Å; M184-F186 PolarHBondContact O-N 3.01Å; F186-T189 WeakPolarHBondContact CA-OG1 3.24Å; F186-T189 PolarHBondContact O-OG1 3.43Å; F186-L190 HydrophobicContact CD1-CD1 3.96Å; F186-L190 HydrophobicContact CE1-CD1 3.78Å; F186-L190 WeakPolarHBondContact O-CG 3.46Å; F186-L190 PolarHBondContact O-N 3.47Å; F186-L190 VanDerWaalsContact O-N 3.12Å; F186-L266 HydrophobicContact CE2-CD2 4.26Å; F186-L269 HydrophobicContact CZ-CB 4.12Å; F186-F270 AromaticContact CD2-CE1 3.94Å; F186-F270 HydrophobicContact CD2-CE1 3.94Å; F186-F270 HydrophobicContact CE1-CD1 4.37Å; F186-F270 HydrophobicContact CE1-CE1 4.26Å; F186-F270 AromaticContact CE2-CD1 3.65Å; F186-F270 HydrophobicContact CE2-CD1 3.65Å; F186-F270 AromaticContact CE2-CE1 3.34Å; F186-F270 HydrophobicContact CE2-CE1 3.34Å; F186-F270 AromaticContact CZ-CD1 3.48Å; F186-F270 HydrophobicContact CZ-CD1 3.48Å; F186-F270 VanDerWaalsContact CZ-CD1 3.48Å; F186-F270 AromaticContact CZ-CE1 3.53Å; F186-F270 HydrophobicContact CZ-CE1 3.53Å; F186-I273 HydrophobicContact CE1-CD1 3.43Å; F186-I273 VanDerWaalsContact CE1-CD1 3.43Å; F186-I273 HydrophobicContact CZ-CD1 4.02Å
187I93.9Very high92.2Very high47 Ų4727.2 Ų27.224%0.24113%0.134CC..Hα-helixtrans-70.3-40174.1-61.1169.5000111.2M183 M184 W185 L190 A191 F198 L288 F293M183-I187 HydrophobicContact CG-CD1 4.39Å; M183-I187 WeakPolarHBondContact O-CG1 3.44Å; M183-I187 PolarHBondContact O-N 3.44Å; M184-I187 PolarHBondContact O-N 3.06Å; W185-I187 VanDerWaalsContact C-N 3.3Å; W185-I187 PolarHBondContact O-N 3.21Å; I187-L190 WeakPolarHBondContact O-CB 3.32Å; I187-L190 PolarHBondContact O-N 3.35Å; I187-A191 PolarHBondContact O-N 3.2Å; I187-F198 HydrophobicContact CG2-CE2 3.71Å; I187-F198 HydrophobicContact CG2-CZ 3.69Å; I187-L288 HydrophobicContact CG2-CD2 4.47Å; I187-F293 HydrophobicContact CB-CE2 3.95Å; I187-F293 HydrophobicContact CB-CZ 3.96Å; I187-F293 HydrophobicContact CD1-CZ 3.81Å; I187-F293 HydrophobicContact CG1-CZ 4.5Å; I187-F293 HydrophobicContact CG2-CE2 3.66Å; I187-F293 HydrophobicContact CG2-CZ 3.72Å
188S93.7Very high91.9Very high0 Ų024.5 Ų24.50%012%0.116CC..Hα-helixtrans-66.1-38.4177.560.40000112.2M184 W185 A191 E192M184-S188 PolarHBondContact O-N 3.43Å; M184-S188 PolarHBondContact O-OG 3.14Å; W185-S188 WeakPolarHBondContact CA-OG 3.07Å; W185-S188 PolarHBondContact O-N 2.72Å; W185-S188 PolarHBondContact O-OG 3.2Å; S188-A191 PolarHBondContact O-N 2.89Å; S188-E192 WeakPolarHBondContact O-CB 3.5Å; S188-E192 PolarHBondContact O-N 2.75Å
189T94.1Very high91.3Very high0 Ų025 Ų250%012%0.119CC..Hα-helixtrans-70-35.3176.549.90000113.2L146 W185 F186 A191 T193 M234 T238L146-T189 HydrophobicContact CD1-CG2 4.15Å; W185-T189 HydrophobicContact CD2-CG2 4.21Å; W185-T189 VanDerWaalsContact CE2-CG2 3.5Å; W185-T189 HydrophobicContact CH2-CG2 4.21Å; W185-T189 HydrophobicContact CZ2-CG2 3.44Å; W185-T189 VanDerWaalsContact CZ2-CG2 3.44Å; W185-T189 WeakPolarHBondContact O-CG2 3.1Å; W185-T189 PolarHBondContact O-N 2.86Å; W185-T189 PolarHBondContact O-OG1 3.44Å; F186-T189 WeakPolarHBondContact CA-OG1 3.24Å; F186-T189 PolarHBondContact O-OG1 3.43Å; T189-A191 PolarHBondContact O-N 3.3Å; T189-T193 PolarHBondContact O-N 2.98Å; T189-T193 PolarHBondContact O-OG1 2.88Å; T189-M234 HydrophobicContact CG2-CB 4.46Å; T189-M234 HydrophobicContact CG2-SD 4.47Å; T189-T238 HydrophobicContact CG2-CG2 4.1Å
190L92.6Very high90.2Very high6 Ų617.5 Ų17.53%0.0319%0.09CC..Hα-helixtrans-56.8-37.9169-86162.9000111.7F186 I187 T193 R195 F198 F270 I273F186-L190 HydrophobicContact CD1-CD1 3.96Å; F186-L190 HydrophobicContact CE1-CD1 3.78Å; F186-L190 WeakPolarHBondContact O-CG 3.46Å; F186-L190 PolarHBondContact O-N 3.47Å; F186-L190 VanDerWaalsContact O-N 3.12Å; I187-L190 WeakPolarHBondContact O-CB 3.32Å; I187-L190 PolarHBondContact O-N 3.35Å; L190-T193 PolarHBondContact O-OG1 3Å; L190-R195 PolarHBondContact O-N 3.04Å; L190-F198 HydrophobicContact CB-CD2 4.24Å; L190-F198 HydrophobicContact CB-CE2 4.41Å; L190-F270 HydrophobicContact CB-CZ 4.46Å; L190-F270 HydrophobicContact CD2-CB 4.45Å; L190-F270 HydrophobicContact CD2-CD1 3.74Å; L190-F270 HydrophobicContact CD2-CD2 3.8Å; L190-F270 HydrophobicContact CD2-CE1 3.81Å; L190-F270 HydrophobicContact CD2-CE2 3.89Å; L190-F270 HydrophobicContact CD2-CG 3.73Å; L190-F270 HydrophobicContact CD2-CZ 3.89Å; L190-F270 HydrophobicContact CG-CD1 4.1Å; L190-F270 HydrophobicContact CG-CE1 3.69Å; L190-F270 HydrophobicContact CG-CE2 4.24Å; L190-F270 HydrophobicContact CG-CZ 3.77Å; L190-I273 HydrophobicContact CD1-CD1 3.87Å; L190-I273 HydrophobicContact CD1-CG2 4.16Å; L190-I273 HydrophobicContact CD2-CG2 4.38Å
191A91.4Very high89Confident0 Ų016.1 Ų16.10%08%0.082CC..Hα-helixtrans-86.3-30.3-176.200000114.3Q138 Y142 I187 S188 T189 T193 N194 F198Q138-A191 PolarHBondContact NE2-O 3.17Å; Y142-A191 HydrophobicContact CD1-CB 3.77Å; Y142-A191 HydrophobicContact CD2-CB 3.67Å; Y142-A191 HydrophobicContact CE1-CB 3.27Å; Y142-A191 HydrophobicContact CE2-CB 3.15Å; Y142-A191 HydrophobicContact CG-CB 3.98Å; Y142-A191 VanDerWaalsContact OH-CB 3.23Å; Y142-A191 WeakPolarHBondContact OH-CB 3.33Å; I187-A191 PolarHBondContact O-N 3.2Å; S188-A191 PolarHBondContact O-N 2.89Å; T189-A191 PolarHBondContact O-N 3.3Å; A191-T193 VanDerWaalsContact C-N 3.26Å; A191-T193 PolarHBondContact O-N 3.47Å; A191-N194 PolarHBondContact O-N 3.25Å; A191-F198 HydrophobicContact CB-CB 3.81Å; A191-F198 HydrophobicContact CB-CD1 4.43Å; A191-F198 HydrophobicContact CB-CD2 3.54Å; A191-F198 HydrophobicContact CB-CE2 4.19Å; A191-F198 HydrophobicContact CB-CG 3.67Å
192E90.7Very high87.9Confident25 Ų2517.4 Ų17.412%0.1179%0.088CC..Hα-helixtrans-63.1-35.2170.3-173.3175.1-17700111.5S109 L146 S188 N194 M234S109-E192 VanDerWaalsContact CB-OE1 3.27Å; S109-E192 WeakPolarHBondContact CB-OE1 3.23Å; S109-E192 PolarHBondContact OG-OE1 2.95Å; L146-E192 WeakPolarHBondContact CD2-OE2 3.38Å; S188-E192 WeakPolarHBondContact O-CB 3.5Å; S188-E192 PolarHBondContact O-N 2.75Å; E192-N194 PolarHBondContact O-N 3.4Å; E192-M234 HydrophobicContact CG-CE 3.99Å; E192-M234 WeakPolarHBondContact OE1-CE 3.24Å; E192-M234 VanDerWaalsContact OE2-CE 3.29Å; E192-M234 WeakPolarHBondContact OE2-CE 3.34Å
193T89.9Confident86.6Confident8 Ų817 Ų175%0.0499%0.085CC..THydrogen-bonded Turntrans-81.27.5176.253.50000113.9T189 L190 A191 R195 N230 I231 M234T189-T193 PolarHBondContact O-N 2.98Å; T189-T193 PolarHBondContact O-OG1 2.88Å; L190-T193 PolarHBondContact O-OG1 3Å; A191-T193 VanDerWaalsContact C-N 3.26Å; A191-T193 PolarHBondContact O-N 3.47Å; T193-R195 PolarHBondContact O-N 3.46Å; T193-R195 VanDerWaalsContact O-N 3.17Å; T193-N230 HydrophobicContact CG2-CB 4.45Å; T193-I231 HydrophobicContact CG2-CG1 4.29Å; T193-M234 HydrophobicContact CG2-CB 4.24Å; T193-M234 HydrophobicContact CG2-CG 3.74Å
194N85.5Confident84.9Confident17 Ų1717.5 Ų17.59%0.0919%0.086CC..THydrogen-bonded Turntrans51.833.2-178.4-61.3-44.1000113.8Q138 A191 E192 D199 A201Q138-N194 PolarHBondContact NE2-OD1 3.31Å; A191-N194 PolarHBondContact O-N 3.25Å; E192-N194 PolarHBondContact O-N 3.4Å; N194-D199 VanDerWaalsContact O-CA 3.3Å; N194-D199 WeakPolarHBondContact O-CA 3.13Å; N194-D199 VanDerWaalsContact O-CB 3.23Å; N194-D199 WeakPolarHBondContact O-CB 3.18Å; N194-A201 HydrophobicContact CB-CB 4.4Å
195R82.6Confident83.2Confident15 Ų1521.9 Ų21.96%0.05712%0.117CC..  trans-94.6148.5-179.1-65.5-62-79.8-160.7-14.7111.9E24 L190 T193 F198 D199 E227 I231E24-R195 IonicContact OE1-CZ 2.65Å; E24-R195 IonicContact OE1-NH2 3.79Å; E24-R195 PolarHBondContact OE1-NH2 3.4Å; E24-R195 IonicContact OE2-CZ 3.39Å; E24-R195 IonicContact OE2-NH2 3.93Å; E24-R195 PolarHBondContact OE2-NH2 3.29Å; L190-R195 PolarHBondContact O-N 3.04Å; T193-R195 PolarHBondContact O-N 3.46Å; T193-R195 VanDerWaalsContact O-N 3.17Å; R195-F198 CarbonylContact O-C 3.44Å; R195-F198 WeakPolarHBondContact O-CA 3.37Å; R195-F198 PolarHBondContact O-N 2.97Å; R195-D199 PolarHBondContact O-N 2.82Å; R195-E227 WeakPolarHBondContact CD-OE1 3.36Å; R195-E227 IonicContact CZ-OE1 3.59Å; R195-E227 IonicContact NE-OE1 2.86Å; R195-E227 IonicContact NH1-OE1 3.84Å; R195-E227 PolarHBondContact NH1-OE1 3.12Å; R195-I231 HydrophobicContact CG-CD1 4Å; R195-I231 HydrophobicContact CG-CG1 4.17Å
196T81.8Confident81.1Confident10 Ų1026.3 Ų26.36%0.06114%0.138CC..THydrogen-bonded Turntrans-53.6128.1173.650.10000109.8D199 R274 R279T196-D199 HydrophobicContact CG2-CB 3.73Å; T196-R274 WeakPolarHBondContact OG1-CA 3.47Å; T196-R274 WeakPolarHBondContact OG1-CB 3.43Å; T196-R274 WeakPolarHBondContact OG1-CG 3.41Å; T196-R279 HydrophobicContact CG2-CG 4.31Å
197P84.5Confident79.9Confident7 Ų724.8 Ų24.85%0.04513%0.131CC..THydrogen-bonded Turncis-88.41.321.336-39.1000116.3P278 R279 F280P197-P278 WeakPolarHBondContact CB-O 3.33Å; P197-R279 WeakPolarHBondContact O-CA 3.18Å; P197-F280 HydrophobicContact CB-CD2 3.65Å; P197-F280 HydrophobicContact CB-CE2 3.83Å; P197-F280 HydrophobicContact CG-CD2 3.88Å; P197-F280 HydrophobicContact CG-CE2 3.75Å; P197-F280 PolarHBondContact O-N 2.86Å
198F87Confident78.9Confident6 Ų627.9 Ų27.93%0.02615%0.152CC..SBendtrans-103.423.9-177.7-51.9-67.2000114.1Q138 Y142 I187 L190 A191 R195 L200 F280 L285 L288Q138-F198 PolarHBondContact NE2-O 3.11Å; Q138-F198 PolarHBondContact OE1-O 2.73Å; Y142-F198 WeakPolarHBondContact OH-CD1 3.46Å; I187-F198 HydrophobicContact CG2-CE2 3.71Å; I187-F198 HydrophobicContact CG2-CZ 3.69Å; L190-F198 HydrophobicContact CB-CD2 4.24Å; L190-F198 HydrophobicContact CB-CE2 4.41Å; A191-F198 HydrophobicContact CB-CB 3.81Å; A191-F198 HydrophobicContact CB-CD1 4.43Å; A191-F198 HydrophobicContact CB-CD2 3.54Å; A191-F198 HydrophobicContact CB-CE2 4.19Å; A191-F198 HydrophobicContact CB-CG 3.67Å; R195-F198 CarbonylContact O-C 3.44Å; R195-F198 WeakPolarHBondContact O-CA 3.37Å; R195-F198 PolarHBondContact O-N 2.97Å; F198-L200 VanDerWaalsContact C-N 3.29Å; F198-L200 PolarHBondContact O-N 3.11Å; F198-F280 AromaticContact CD1-CD2 3.91Å; F198-F280 HydrophobicContact CD1-CD2 3.91Å; F198-F280 AromaticContact CE1-CD2 3.5Å; F198-F280 HydrophobicContact CE1-CD2 3.5Å; F198-F280 AromaticContact CE1-CE2 3.91Å; F198-F280 HydrophobicContact CE1-CE2 3.91Å; F198-F280 HydrophobicContact CE1-CG 4.26Å; F198-F280 HydrophobicContact CZ-CD2 4.15Å; F198-F280 HydrophobicContact CZ-CE2 4.13Å; F198-L285 HydrophobicContact CB-CD1 4.05Å; F198-L285 HydrophobicContact CD1-CD1 3.63Å; F198-L285 HydrophobicContact CD1-CG 3.95Å; F198-L285 HydrophobicContact CE1-CG 4.42Å; F198-L285 HydrophobicContact CG-CD1 4.24Å; F198-L288 HydrophobicContact CE1-CD2 4.05Å; F198-L288 HydrophobicContact CZ-CD2 4.03Å
199D83Confident78Confident11 Ų1129 Ų296%0.05916%0.16CC..  trans-80.876.3174.7-178.912.8000111N194 R195 T196 E202N194-D199 VanDerWaalsContact O-CA 3.3Å; N194-D199 WeakPolarHBondContact O-CA 3.13Å; N194-D199 VanDerWaalsContact O-CB 3.23Å; N194-D199 WeakPolarHBondContact O-CB 3.18Å; R195-D199 PolarHBondContact O-N 2.82Å; T196-D199 HydrophobicContact CG2-CB 3.73Å; D199-E202 WeakPolarHBondContact OD1-CB 3.38Å; D199-E202 PolarHBondContact OD1-N 3.4Å; D199-E202 VanDerWaalsContact OD1-N 3.15Å
200L73.8Confident77.5Confident4 Ų429 Ų292%0.02116%0.16CC..  trans-94.3-20.7176.5-58-179.3000112.6F198 F280 Y282 L285F198-L200 VanDerWaalsContact C-N 3.29Å; F198-L200 PolarHBondContact O-N 3.11Å; L200-F280 WeakPolarHBondContact CD2-O 3.36Å; L200-Y282 HydrophobicContact CD1-CD2 3.76Å; L200-Y282 HydrophobicContact CD1-CG 4.29Å; L200-L285 HydrophobicContact CD1-CB 4.31Å; L200-L285 HydrophobicContact CD1-CD1 3.45Å; L200-L285 VanDerWaalsContact CD1-CD1 3.45Å; L200-L285 HydrophobicContact CD1-CG 4.44Å; L200-L285 HydrophobicContact CG-CD1 4.22Å
201A70.9Confident76.9Confident1 Ų129.5 Ų29.51%0.00816%0.162CC..SBendtrans-75.2-39.9-176.500000111.2A135 N194 G210 F211A135-A201 HydrophobicContact CB-CB 3.63Å; N194-A201 HydrophobicContact CB-CB 4.4Å; A201-G210 VanDerWaalsContact O-CA 3.27Å; A201-G210 WeakPolarHBondContact O-CA 3.39Å; A201-F211 HydrophobicContact CB-CD1 4.14Å; A201-F211 HydrophobicContact CB-CE1 4.14Å
202E72.4Confident76.6Confident27 Ų2729.7 Ų29.713%0.12616%0.163CC..SBendtrans-102.1-6.5-178.8-175.3164.6-135.600112.7D199 E204 S209 N212 F224D199-E202 WeakPolarHBondContact OD1-CB 3.38Å; D199-E202 PolarHBondContact OD1-N 3.4Å; D199-E202 VanDerWaalsContact OD1-N 3.15Å; E202-E204 PolarHBondContact O-N 2.89Å; E202-S209 CarbonylContact O-C 3.39Å; E202-S209 WeakPolarHBondContact O-CA 3.3Å; E202-N212 PolarHBondContact OE1-ND2 3.41Å; E202-F224 WeakPolarHBondContact OE1-CZ 3.42Å
203G67.6Low76.3Confident3 Ų331 Ų313%0.03117%0.17CC..  trans-32.294.2-170.100000115.7S205 E206 L207G203-S205 PolarHBondContact O-N 3.21Å; G203-S205 VanDerWaalsContact O-N 3.08Å; G203-E206 PolarHBondContact O-N 3.01Å; G203-L207 PolarHBondContact O-N 3.34Å
204E60.7Low76.1Confident131 Ų13133.9 Ų33.961%0.61218%0.183SC*.Hα-helixtrans-54-37.1-172.5-64.7174.8153.200113.3E202 E206 V208 R279E202-E204 PolarHBondContact O-N 2.89Å; E204-E206 VanDerWaalsContact C-N 3.29Å; E204-E206 PolarHBondContact O-N 2.75Å; E204-V208 WeakPolarHBondContact CA-O 3.47Å; E204-V208 WeakPolarHBondContact O-CA 3.37Å; E204-V208 PolarHBondContact O-N 3.17Å; E204-R279 IonicContact OE2-NH2 3.19Å
205S60Low76.3Confident99 Ų9933.5 Ų33.569%0.69218%0.18SC*.Hα-helixtrans-69.6-24.4-179.553.60000113.9G203G203-S205 PolarHBondContact O-N 3.21Å; G203-S205 VanDerWaalsContact O-N 3.08Å
206E52.7Low76.4Confident97 Ų9733.3 Ų33.345%0.45318%0.182SC..Hα-helixtrans-109.2-35.8-173.6-63.3178.9-175.100112R134 G203 E204R134-E206 IonicContact CZ-OE2 3.38Å; R134-E206 IonicContact NH1-OE2 2.78Å; R134-E206 PolarHBondContact NH1-OE2 3.18Å; R134-E206 IonicContact NH2-OE2 2.82Å; R134-E206 PolarHBondContact NH2-OE2 3.31Å; G203-E206 PolarHBondContact O-N 3.01Å; E204-E206 VanDerWaalsContact C-N 3.29Å; E204-E206 PolarHBondContact O-N 2.75Å
207L68.6Low76.7Confident7 Ų733 Ų334%0.03718%0.181CC..Hα-helixtrans-131.19.9-168.1-58.8175.3000113.6Y127 I130 G203 S209 G210 I213Y127-L207 HydrophobicContact CD1-CD2 4.11Å; I130-L207 HydrophobicContact CB-CD2 4.49Å; I130-L207 HydrophobicContact CG2-CD2 4.14Å; G203-L207 PolarHBondContact O-N 3.34Å; L207-S209 PolarHBondContact O-N 3.47Å; L207-G210 PolarHBondContact O-N 3.24Å; L207-I213 WeakPolarHBondContact O-CD1 3.45Å
208V73.7Confident76.9Confident112 Ų11233.4 Ų33.468%0.67919%0.185SC*.THydrogen-bonded Turntrans64.2-54.6-174.3-173.90000113.2E204E204-V208 WeakPolarHBondContact CA-O 3.47Å; E204-V208 WeakPolarHBondContact O-CA 3.37Å; E204-V208 PolarHBondContact O-N 3.17Å
209S75.1Confident77.1Confident22 Ų2234.8 Ų34.815%0.15420%0.195CC..THydrogen-bonded Turntrans-156.69.4165.673.80000113.6E202 L207 F211 N212 I213E202-S209 CarbonylContact O-C 3.39Å; E202-S209 WeakPolarHBondContact O-CA 3.3Å; L207-S209 PolarHBondContact O-N 3.47Å; S209-F211 PolarHBondContact O-N 3.34Å; S209-N212 WeakPolarHBondContact CB-OD1 3.23Å; S209-N212 PolarHBondContact O-OD1 2.82Å; S209-N212 PolarHBondContact OG-OD1 3.06Å; S209-I213 WeakPolarHBondContact OG-CA 3.45Å; S209-I213 WeakPolarHBondContact OG-CG1 3.4Å; S209-I213 PolarHBondContact OG-N 3.38Å
210G83.1Confident77.4Confident0 Ų036.9 Ų36.90%020%0.204CC..G310 helixtrans69.1-125173.400000115.6A128 A201 L207 N212 I213A128-G210 WeakPolarHBondContact CA-O 3.34Å; A128-G210 WeakPolarHBondContact CB-O 3.31Å; A201-G210 VanDerWaalsContact O-CA 3.27Å; A201-G210 WeakPolarHBondContact O-CA 3.39Å; L207-G210 PolarHBondContact O-N 3.24Å; G210-N212 PolarHBondContact O-N 3.43Å; G210-I213 WeakPolarHBondContact O-CD1 3.47Å; G210-I213 WeakPolarHBondContact O-CG1 3.43Å
211F80.7Confident78.3Confident18 Ų1837 Ų378%0.07921%0.205CC..G310 helixtrans-68.3-22.6-171.868.5-95.1000113.7I116 S119 A132 A201 S209 F223I116-F211 HydrophobicContact CG2-CB 4.12Å; I116-F211 HydrophobicContact CG2-CD1 3.7Å; I116-F211 HydrophobicContact CG2-CD2 4.19Å; I116-F211 HydrophobicContact CG2-CE1 4.1Å; I116-F211 HydrophobicContact CG2-CG 3.74Å; I116-F211 HydrophobicContact CG2-CZ 4.5Å; S119-F211 WeakPolarHBondContact OG-CD2 3.47Å; A132-F211 HydrophobicContact CB-CB 4.21Å; A201-F211 HydrophobicContact CB-CD1 4.14Å; A201-F211 HydrophobicContact CB-CE1 4.14Å; S209-F211 PolarHBondContact O-N 3.34Å; F211-F223 AromaticContact CE2-CD1 3.99Å; F211-F223 HydrophobicContact CE2-CD1 3.99Å; F211-F223 HydrophobicContact CE2-CE1 4.22Å; F211-F223 HydrophobicContact CE2-CG 4.21Å
212N85.3Confident79.4Confident3 Ų338.7 Ų38.72%0.01621%0.214CC..G310 helixtrans-97.75.8-174.170.113.2000113.8E202 S209 G210 E214 Y215E202-N212 PolarHBondContact OE1-ND2 3.41Å; S209-N212 WeakPolarHBondContact CB-OD1 3.23Å; S209-N212 PolarHBondContact O-OD1 2.82Å; S209-N212 PolarHBondContact OG-OD1 3.06Å; G210-N212 PolarHBondContact O-N 3.43Å; N212-E214 VanDerWaalsContact C-N 3.29Å; N212-E214 PolarHBondContact O-N 3.5Å; N212-Y215 WeakPolarHBondContact O-CB 3.08Å; N212-Y215 PolarHBondContact O-N 3.34Å
213I83.8Confident80.3Confident52 Ų5238 Ų3827%0.26721%0.21SC..THydrogen-bonded Turntrans-51.6-44.3-172.9-64.6157.7000113.2L207 S209 G210 Y215L207-I213 WeakPolarHBondContact O-CD1 3.45Å; S209-I213 WeakPolarHBondContact OG-CA 3.45Å; S209-I213 WeakPolarHBondContact OG-CG1 3.4Å; S209-I213 PolarHBondContact OG-N 3.38Å; G210-I213 WeakPolarHBondContact O-CD1 3.47Å; G210-I213 WeakPolarHBondContact O-CG1 3.43Å; I213-Y215 VanDerWaalsContact C-N 3.3Å; I213-Y215 PolarHBondContact O-N 3.17Å
214E85.9Confident81.4Confident69 Ų6939.6 Ų39.632%0.32222%0.217SC..THydrogen-bonded Turntrans-81.4-12.3-176.2-65.4-62.3159.800112.8P63 Y71 N212 A216P63-E214 HydrophobicContact CG-CB 3.81Å; P63-E214 HydrophobicContact CG-CG 4.28Å; Y71-E214 HydrophobicContact CE2-CB 4.43Å; Y71-E214 PolarHBondContact OH-O 3.17Å; N212-E214 VanDerWaalsContact C-N 3.29Å; N212-E214 PolarHBondContact O-N 3.5Å; E214-A216 PolarHBondContact O-N 3.03Å
215Y88.2Confident82.9Confident9 Ų935 Ų354%0.03520%0.196CC..  trans-80.7121.4-178.1-71.1-91.2000111.1Y71 P75 S119 N212 I213 P219 F223Y71-Y215 WeakPolarHBondContact CA-OH 3.25Å; Y71-Y215 HydrophobicContact CD1-CE1 4.14Å; Y71-Y215 HydrophobicContact CD2-CD1 4.28Å; Y71-Y215 AromaticContact CD2-CE1 3.55Å; Y71-Y215 HydrophobicContact CD2-CE1 3.55Å; Y71-Y215 AromaticContact CD2-CE2 4Å; Y71-Y215 HydrophobicContact CD2-CE2 4Å; Y71-Y215 AromaticContact CD2-CZ 3.38Å; Y71-Y215 WeakPolarHBondContact CD2-OH 3.28Å; Y71-Y215 HydrophobicContact CE1-CD1 4.15Å; Y71-Y215 HydrophobicContact CE1-CE1 4.01Å; Y71-Y215 AromaticContact CE2-CD1 3.63Å; Y71-Y215 HydrophobicContact CE2-CD1 3.63Å; Y71-Y215 AromaticContact CE2-CD2 3.98Å; Y71-Y215 HydrophobicContact CE2-CD2 3.98Å; Y71-Y215 AromaticContact CE2-CE1 3.37Å; Y71-Y215 HydrophobicContact CE2-CE1 3.37Å; Y71-Y215 AromaticContact CE2-CE2 3.75Å; Y71-Y215 HydrophobicContact CE2-CE2 3.75Å; Y71-Y215 AromaticContact CE2-CG 3.94Å; Y71-Y215 HydrophobicContact CE2-CG 3.94Å; Y71-Y215 AromaticContact CE2-CZ 3.44Å; Y71-Y215 VanDerWaalsContact CE2-CZ 3.44Å; Y71-Y215 AromaticContact CG-CE1 3.93Å; Y71-Y215 HydrophobicContact CG-CE1 3.93Å; Y71-Y215 AromaticContact CZ-CD1 3.57Å; Y71-Y215 AromaticContact CZ-CE1 3.64Å; Y71-Y215 WeakPolarHBondContact O-CE1 3.45Å; Y71-Y215 PolarHBondContact O-OH 2.88Å; Y71-Y215 WeakPolarHBondContact OH-CA 3.42Å; P75-Y215 HydrophobicContact CG-CD1 4.03Å; P75-Y215 HydrophobicContact CG-CE1 3.56Å; S119-Y215 WeakPolarHBondContact CA-OH 3.23Å; N212-Y215 WeakPolarHBondContact O-CB 3.08Å; N212-Y215 PolarHBondContact O-N 3.34Å; I213-Y215 VanDerWaalsContact C-N 3.3Å; I213-Y215 PolarHBondContact O-N 3.17Å; Y215-P219 HydrophobicContact CD1-CB 3.66Å; Y215-P219 HydrophobicContact CE1-CB 4.37Å; Y215-F223 HydrophobicContact CD1-CD2 4.48Å; Y215-F223 AromaticContact CD1-CE2 3.92Å; Y215-F223 HydrophobicContact CD1-CE2 3.92Å; Y215-F223 HydrophobicContact CD2-CE2 4.08Å; Y215-F223 AromaticContact CE1-CE2 3.85Å; Y215-F223 HydrophobicContact CE1-CE2 3.85Å; Y215-F223 HydrophobicContact CE2-CE2 4.02Å; Y215-F223 HydrophobicContact CG-CD2 4.39Å; Y215-F223 HydrophobicContact CG-CE2 4.02Å; Y215-F223 AromaticContact CZ-CE2 3.9Å
216A86.3Confident84.6Confident12 Ų1230.5 Ų30.510%0.09916%0.164CC..  trans-111157.8175.400000112.2L61 E214 G218 P219L61-A216 HydrophobicContact CB-CB 3.7Å; L61-A216 HydrophobicContact CD1-CB 3.81Å; L61-A216 HydrophobicContact CG-CB 4Å; E214-A216 PolarHBondContact O-N 3.03Å; A216-G218 PolarHBondContact O-N 3.43Å; A216-P219 VanDerWaalsContact O-CD 3.25Å; A216-P219 WeakPolarHBondContact O-CD 3.3Å
217A86.5Confident86.5Confident4 Ų427.4 Ų27.43%0.03315%0.15CC..Hα-helixtrans55.1-120163.900000113.8L55 K58 F220 A221L55-A217 CarbonylContact O-C 2.87Å; L55-A217 WeakPolarHBondContact O-CA 3.04Å; L55-A217 WeakPolarHBondContact O-CB 3.46Å; K58-A217 HydrophobicContact CB-CB 3.8Å; K58-A217 HydrophobicContact CG-CB 4.2Å; K58-A217 VanDerWaalsContact O-CB 3.3Å; K58-A217 WeakPolarHBondContact O-CB 2.96Å; A217-F220 PolarHBondContact O-N 3.32Å; A217-A221 PolarHBondContact O-N 3.08Å
218G90Very high87.7Confident14 Ų1428 Ų2814%0.14415%0.152CC..Hα-helixtrans-61.3-54.3-176.800000114.3L55 A216 F220 A221 L222L55-G218 PolarHBondContact O-N 3.31Å; A216-G218 PolarHBondContact O-N 3.43Å; G218-F220 VanDerWaalsContact C-N 3.27Å; G218-F220 PolarHBondContact O-N 3.36Å; G218-A221 WeakPolarHBondContact O-CA 3.33Å; G218-A221 VanDerWaalsContact O-CB 3.24Å; G218-A221 WeakPolarHBondContact O-CB 3.49Å; G218-A221 PolarHBondContact O-N 3.3Å; G218-L222 PolarHBondContact O-N 2.95Å
219P91Very high88.7Confident35 Ų3522.7 Ų22.723%0.22712%0.119CC..Hα-helixtrans-53.9-40.1176-32.436.2000114.5P75 Y215 A216 L222P75-P219 HydrophobicContact CG-CB 4.14Å; Y215-P219 HydrophobicContact CD1-CB 3.66Å; Y215-P219 HydrophobicContact CE1-CB 4.37Å; A216-P219 VanDerWaalsContact O-CD 3.25Å; A216-P219 WeakPolarHBondContact O-CD 3.3Å; P219-L222 PolarHBondContact O-N 3.43Å
220F89.7Confident89.7Confident56 Ų5623.1 Ų23.125%0.24612%0.12CC..Hα-helixtrans-61.5-45.9172.4176.3-95.5000111.4L55 A217 G218 L222 F223 F224L55-F220 HydrophobicContact CD2-CD1 4.3Å; A217-F220 PolarHBondContact O-N 3.32Å; G218-F220 VanDerWaalsContact C-N 3.27Å; G218-F220 PolarHBondContact O-N 3.36Å; F220-L222 PolarHBondContact O-N 2.91Å; F220-F223 PolarHBondContact O-N 3.23Å; F220-F223 VanDerWaalsContact O-N 3.1Å; F220-F224 AromaticContact CD1-CD2 3.65Å; F220-F224 HydrophobicContact CD1-CD2 3.65Å; F220-F224 AromaticContact CD1-CE2 3.89Å; F220-F224 HydrophobicContact CD1-CE2 3.89Å; F220-F224 HydrophobicContact CD2-CD2 4.12Å; F220-F224 AromaticContact CD2-CE2 3.73Å; F220-F224 HydrophobicContact CD2-CE2 3.73Å; F220-F224 AromaticContact CE1-CD2 3.35Å; F220-F224 HydrophobicContact CE1-CD2 3.35Å; F220-F224 AromaticContact CE1-CE2 3.28Å; F220-F224 HydrophobicContact CE1-CE2 3.28Å; F220-F224 HydrophobicContact CE1-CG 4.31Å; F220-F224 HydrophobicContact CE1-CZ 4.06Å; F220-F224 AromaticContact CE2-CD2 3.89Å; F220-F224 HydrophobicContact CE2-CD2 3.89Å; F220-F224 AromaticContact CE2-CE2 3.12Å; F220-F224 HydrophobicContact CE2-CE2 3.12Å; F220-F224 AromaticContact CE2-CZ 3.93Å; F220-F224 HydrophobicContact CE2-CZ 3.93Å; F220-F224 HydrophobicContact CG-CD2 4.04Å; F220-F224 HydrophobicContact CG-CE2 4.1Å; F220-F224 AromaticContact CZ-CD2 3.51Å; F220-F224 HydrophobicContact CZ-CD2 3.51Å; F220-F224 AromaticContact CZ-CE2 2.86Å; F220-F224 HydrophobicContact CZ-CE2 2.86Å; F220-F224 AromaticContact CZ-CZ 3.47Å; F220-F224 HydrophobicContact CZ-CZ 3.47Å; F220-F224 VanDerWaalsContact CZ-CZ 3.47Å; F220-F224 WeakPolarHBondContact O-CD2 3.11Å; F220-F224 PolarHBondContact O-N 2.85Å
221A92.1Very high90.3Very high5 Ų523.3 Ų23.34%0.04112%0.121CC..Hα-helixtrans-56-38.3177.200000112.1L55 A217 G218 F223 F224 M225L55-A221 HydrophobicContact CB-CB 4.16Å; L55-A221 HydrophobicContact CD1-CB 3.85Å; A217-A221 PolarHBondContact O-N 3.08Å; G218-A221 WeakPolarHBondContact O-CA 3.33Å; G218-A221 VanDerWaalsContact O-CB 3.24Å; G218-A221 WeakPolarHBondContact O-CB 3.49Å; G218-A221 PolarHBondContact O-N 3.3Å; A221-F223 PolarHBondContact O-N 3.18Å; A221-F224 PolarHBondContact O-N 2.86Å; A221-M225 HydrophobicContact CB-CE 4.37Å; A221-M225 WeakPolarHBondContact O-CB 3.29Å; A221-M225 WeakPolarHBondContact O-CG 3.27Å; A221-M225 PolarHBondContact O-N 2.81Å
222L93.6Very high91Very high38 Ų3823.3 Ų23.320%0.19912%0.122CC..Hα-helixtrans-61.5-40178.2-67.4169.8000112.7P75 T76 L79 G218 P219 F220 M225 A226P75-L222 HydrophobicContact CB-CB 3.71Å; P75-L222 HydrophobicContact CB-CD1 3.85Å; P75-L222 HydrophobicContact CB-CG 4.44Å; T76-L222 HydrophobicContact CG2-CD1 4.4Å; L79-L222 HydrophobicContact CD2-CD2 3.68Å; G218-L222 PolarHBondContact O-N 2.95Å; P219-L222 PolarHBondContact O-N 3.43Å; F220-L222 PolarHBondContact O-N 2.91Å; L222-M225 HydrophobicContact CD2-CE 3.7Å; L222-M225 HydrophobicContact CG-CE 4.32Å; L222-A226 WeakPolarHBondContact O-CB 3.5Å; L222-A226 PolarHBondContact O-N 3.35Å
223F92.3Very high91.5Very high11 Ų1123.2 Ų23.25%0.04812%0.121CC..Hα-helixtrans-65.9-45.7174.5-76.9-63.2000112.3A74 P75 A78 S119 F211 Y215 F220 A221 M225 A226 E227A74-F223 HydrophobicContact CB-CZ 4.17Å; P75-F223 HydrophobicContact CB-CD2 4.14Å; P75-F223 HydrophobicContact CB-CE2 3.83Å; P75-F223 HydrophobicContact CB-CZ 4.03Å; P75-F223 HydrophobicContact CG-CD2 4.27Å; P75-F223 HydrophobicContact CG-CE2 3.57Å; P75-F223 HydrophobicContact CG-CZ 3.88Å; A78-F223 HydrophobicContact CB-CD1 3.85Å; A78-F223 HydrophobicContact CB-CE1 3.85Å; S119-F223 VanDerWaalsContact CB-CZ 3.5Å; F211-F223 AromaticContact CE2-CD1 3.99Å; F211-F223 HydrophobicContact CE2-CD1 3.99Å; F211-F223 HydrophobicContact CE2-CE1 4.22Å; F211-F223 HydrophobicContact CE2-CG 4.21Å; Y215-F223 HydrophobicContact CD1-CD2 4.48Å; Y215-F223 AromaticContact CD1-CE2 3.92Å; Y215-F223 HydrophobicContact CD1-CE2 3.92Å; Y215-F223 HydrophobicContact CD2-CE2 4.08Å; Y215-F223 AromaticContact CE1-CE2 3.85Å; Y215-F223 HydrophobicContact CE1-CE2 3.85Å; Y215-F223 HydrophobicContact CE2-CE2 4.02Å; Y215-F223 HydrophobicContact CG-CD2 4.39Å; Y215-F223 HydrophobicContact CG-CE2 4.02Å; Y215-F223 AromaticContact CZ-CE2 3.9Å; F220-F223 PolarHBondContact O-N 3.23Å; F220-F223 VanDerWaalsContact O-N 3.1Å; A221-F223 PolarHBondContact O-N 3.18Å; F223-M225 VanDerWaalsContact C-N 3.33Å; F223-M225 PolarHBondContact O-N 2.83Å; F223-A226 WeakPolarHBondContact O-CB 3.45Å; F223-A226 PolarHBondContact O-N 3.49Å; F223-A226 VanDerWaalsContact O-N 3.17Å; F223-E227 PolarHBondContact O-N 2.91Å
224F90.3Very high92Very high37 Ų3721.1 Ų21.116%0.16211%0.11CC..Hα-helixtrans-61.7-42.9177.4-86.1-82.8000112.1E202 F220 A221 A226 E227 Y228E202-F224 WeakPolarHBondContact OE1-CZ 3.42Å; F220-F224 AromaticContact CD1-CD2 3.65Å; F220-F224 HydrophobicContact CD1-CD2 3.65Å; F220-F224 AromaticContact CD1-CE2 3.89Å; F220-F224 HydrophobicContact CD1-CE2 3.89Å; F220-F224 HydrophobicContact CD2-CD2 4.12Å; F220-F224 AromaticContact CD2-CE2 3.73Å; F220-F224 HydrophobicContact CD2-CE2 3.73Å; F220-F224 AromaticContact CE1-CD2 3.35Å; F220-F224 HydrophobicContact CE1-CD2 3.35Å; F220-F224 AromaticContact CE1-CE2 3.28Å; F220-F224 HydrophobicContact CE1-CE2 3.28Å; F220-F224 HydrophobicContact CE1-CG 4.31Å; F220-F224 HydrophobicContact CE1-CZ 4.06Å; F220-F224 AromaticContact CE2-CD2 3.89Å; F220-F224 HydrophobicContact CE2-CD2 3.89Å; F220-F224 AromaticContact CE2-CE2 3.12Å; F220-F224 HydrophobicContact CE2-CE2 3.12Å; F220-F224 AromaticContact CE2-CZ 3.93Å; F220-F224 HydrophobicContact CE2-CZ 3.93Å; F220-F224 HydrophobicContact CG-CD2 4.04Å; F220-F224 HydrophobicContact CG-CE2 4.1Å; F220-F224 AromaticContact CZ-CD2 3.51Å; F220-F224 HydrophobicContact CZ-CD2 3.51Å; F220-F224 AromaticContact CZ-CE2 2.86Å; F220-F224 HydrophobicContact CZ-CE2 2.86Å; F220-F224 AromaticContact CZ-CZ 3.47Å; F220-F224 HydrophobicContact CZ-CZ 3.47Å; F220-F224 VanDerWaalsContact CZ-CZ 3.47Å; F220-F224 WeakPolarHBondContact O-CD2 3.11Å; F220-F224 PolarHBondContact O-N 2.85Å; A221-F224 PolarHBondContact O-N 2.86Å; F224-A226 VanDerWaalsContact C-N 3.32Å; F224-A226 PolarHBondContact O-N 2.92Å; F224-E227 PolarHBondContact O-N 3.39Å; F224-Y228 AromaticContact CD1-CE2 3.89Å; F224-Y228 HydrophobicContact CD1-CE2 3.89Å; F224-Y228 WeakPolarHBondContact O-CD2 3.23Å; F224-Y228 PolarHBondContact O-N 3.48Å
225M93.1Very high92.5Very high35 Ų3517.9 Ų17.917%0.17210%0.095CC..Hα-helixtrans-59.6-46.1175.1-70.2-168.4-7200110.4M17 F56 L79 A221 L222 F223 Y228 T229M17-M225 HydrophobicContact CE-CB 3.72Å; M17-M225 HydrophobicContact CE-CG 3.29Å; M17-M225 HydrophobicContact CE-SD 3.64Å; M17-M225 HydrophobicContact SD-CB 4.26Å; M17-M225 HydrophobicContact SD-CG 3.86Å; F56-M225 HydrophobicContact CZ-CE 4.33Å; L79-M225 HydrophobicContact CD1-CB 4.02Å; A221-M225 HydrophobicContact CB-CE 4.37Å; A221-M225 WeakPolarHBondContact O-CB 3.29Å; A221-M225 WeakPolarHBondContact O-CG 3.27Å; A221-M225 PolarHBondContact O-N 2.81Å; L222-M225 HydrophobicContact CD2-CE 3.7Å; L222-M225 HydrophobicContact CG-CE 4.32Å; F223-M225 VanDerWaalsContact C-N 3.33Å; F223-M225 PolarHBondContact O-N 2.83Å; M225-Y228 PolarHBondContact O-N 2.94Å; M225-T229 WeakPolarHBondContact O-CB 3.33Å; M225-T229 VanDerWaalsContact O-CG2 3.29Å; M225-T229 WeakPolarHBondContact O-CG2 3.34Å; M225-T229 PolarHBondContact O-N 2.85Å; M225-T229 PolarHBondContact O-OG1 2.98Å
226A94.4Very high92.9Very high4 Ų417.6 Ų17.63%0.0339%0.094CC..Hα-helixtrans-60.4-48.4177.800000112.6A78 A82 L222 F223 F224 Y228 T229 N230A78-A226 HydrophobicContact CB-CB 3.9Å; A82-A226 HydrophobicContact CB-CB 4.06Å; L222-A226 WeakPolarHBondContact O-CB 3.5Å; L222-A226 PolarHBondContact O-N 3.35Å; F223-A226 WeakPolarHBondContact O-CB 3.45Å; F223-A226 PolarHBondContact O-N 3.49Å; F223-A226 VanDerWaalsContact O-N 3.17Å; F224-A226 VanDerWaalsContact C-N 3.32Å; F224-A226 PolarHBondContact O-N 2.92Å; A226-Y228 PolarHBondContact O-N 3.34Å; A226-T229 VanDerWaalsContact CA-OG1 3.3Å; A226-T229 WeakPolarHBondContact CA-OG1 2.96Å; A226-T229 PolarHBondContact O-N 3.28Å; A226-T229 PolarHBondContact O-OG1 3.42Å; A226-N230 WeakPolarHBondContact O-CB 3.44Å; A226-N230 VanDerWaalsContact O-CG 3.3Å; A226-N230 PolarHBondContact O-N 2.93Å; A226-N230 PolarHBondContact O-ND2 3.37Å
227E92.4Very high93.3Very high32 Ų3217.1 Ų17.115%0.159%0.09CC..Hα-helixtrans-59.1-48.5179-172.3-166.9143.300111.5R195 F223 F224 T229 N230 I231R195-E227 WeakPolarHBondContact CD-OE1 3.36Å; R195-E227 IonicContact CZ-OE1 3.59Å; R195-E227 IonicContact NE-OE1 2.86Å; R195-E227 IonicContact NH1-OE1 3.84Å; R195-E227 PolarHBondContact NH1-OE1 3.12Å; F223-E227 PolarHBondContact O-N 2.91Å; F224-E227 PolarHBondContact O-N 3.39Å; E227-T229 PolarHBondContact O-N 2.79Å; E227-N230 WeakPolarHBondContact O-CB 3.46Å; E227-N230 PolarHBondContact O-N 3.43Å; E227-N230 VanDerWaalsContact O-N 3.13Å; E227-I231 HydrophobicContact CG-CD1 4.49Å; E227-I231 WeakPolarHBondContact O-CG1 3.24Å; E227-I231 PolarHBondContact O-N 3.32Å
228Y94.1Very high93.8Very high20 Ų2017.1 Ų17.18%0.0789%0.09CC..Hα-helixtrans-68-35.7178.9-75-59.3000113.2M17 L20 M21 E24 F224 M225 A226 N230 I231 I232M17-Y228 VanDerWaalsContact CG-CB 3.47Å; L20-Y228 HydrophobicContact CD2-CD1 3.35Å; L20-Y228 HydrophobicContact CD2-CE1 4.11Å; L20-Y228 HydrophobicContact CD2-CG 4.09Å; M21-Y228 HydrophobicContact CG-CD2 3.67Å; M21-Y228 HydrophobicContact CG-CE2 3.58Å; M21-Y228 HydrophobicContact CG-CG 4.27Å; M21-Y228 HydrophobicContact SD-CD2 4.03Å; M21-Y228 HydrophobicContact SD-CE2 3.93Å; E24-Y228 WeakPolarHBondContact OE2-CE1 3.43Å; E24-Y228 PolarHBondContact OE2-OH 3.15Å; F224-Y228 AromaticContact CD1-CE2 3.89Å; F224-Y228 HydrophobicContact CD1-CE2 3.89Å; F224-Y228 WeakPolarHBondContact O-CD2 3.23Å; F224-Y228 PolarHBondContact O-N 3.48Å; M225-Y228 PolarHBondContact O-N 2.94Å; A226-Y228 PolarHBondContact O-N 3.34Å; Y228-N230 VanDerWaalsContact C-N 3.29Å; Y228-N230 PolarHBondContact O-N 3Å; Y228-I231 HydrophobicContact CD1-CD1 3.62Å; Y228-I231 HydrophobicContact CE1-CD1 4.05Å; Y228-I231 PolarHBondContact O-N 3.1Å; Y228-I232 WeakPolarHBondContact O-CG1 3.46Å; Y228-I232 PolarHBondContact O-N 3.27Å
229T95.6Very high94.2Very high0 Ų016.5 Ų16.50%08%0.083CC..Hα-helixtrans-64-37171.150.80000111.7I13 M17 A82 M225 A226 E227 I232 M233I13-T229 HydrophobicContact CG2-CG2 3.92Å; M17-T229 HydrophobicContact CB-CG2 3.93Å; M17-T229 HydrophobicContact CG-CG2 4.08Å; A82-T229 VanDerWaalsContact CB-OG1 3.23Å; A82-T229 WeakPolarHBondContact CB-OG1 3.11Å; M225-T229 WeakPolarHBondContact O-CB 3.33Å; M225-T229 VanDerWaalsContact O-CG2 3.29Å; M225-T229 WeakPolarHBondContact O-CG2 3.34Å; M225-T229 PolarHBondContact O-N 2.85Å; M225-T229 PolarHBondContact O-OG1 2.98Å; A226-T229 VanDerWaalsContact CA-OG1 3.3Å; A226-T229 WeakPolarHBondContact CA-OG1 2.96Å; A226-T229 PolarHBondContact O-N 3.28Å; A226-T229 PolarHBondContact O-OG1 3.42Å; E227-T229 PolarHBondContact O-N 2.79Å; T229-I232 PolarHBondContact O-N 3.07Å; T229-M233 WeakPolarHBondContact O-CB 3.48Å; T229-M233 PolarHBondContact O-N 2.77Å
230N94.9Very high94.4Very high31 Ų3115 Ų1517%0.1667%0.073CC..Hα-helixtrans-68-36.3175.9-74.7-19.7000112.1A82 T193 A226 E227 Y228 I232 M233 M234A82-N230 WeakPolarHBondContact CA-OD1 3.45Å; A82-N230 VanDerWaalsContact CB-OD1 3.31Å; A82-N230 WeakPolarHBondContact CB-OD1 3.47Å; T193-N230 HydrophobicContact CG2-CB 4.45Å; A226-N230 WeakPolarHBondContact O-CB 3.44Å; A226-N230 VanDerWaalsContact O-CG 3.3Å; A226-N230 PolarHBondContact O-N 2.93Å; A226-N230 PolarHBondContact O-ND2 3.37Å; E227-N230 WeakPolarHBondContact O-CB 3.46Å; E227-N230 PolarHBondContact O-N 3.43Å; E227-N230 VanDerWaalsContact O-N 3.13Å; Y228-N230 VanDerWaalsContact C-N 3.29Å; Y228-N230 PolarHBondContact O-N 3Å; N230-I232 PolarHBondContact O-N 2.98Å; N230-M233 PolarHBondContact O-N 3.06Å; N230-M234 WeakPolarHBondContact O-CB 3.44Å; N230-M234 VanDerWaalsContact O-CG 3.3Å; N230-M234 WeakPolarHBondContact O-CG 3.4Å; N230-M234 PolarHBondContact O-N 3.5Å
231I95Very high94.7Very high5 Ų512.3 Ų12.33%0.0266%0.062CC..Hα-helixtrans-58.9-49.7173.7-70.4160000110.6L20 T193 R195 E227 Y228 M233 N235 F270L20-I231 HydrophobicContact CD2-CG2 4.48Å; T193-I231 HydrophobicContact CG2-CG1 4.29Å; R195-I231 HydrophobicContact CG-CD1 4Å; R195-I231 HydrophobicContact CG-CG1 4.17Å; E227-I231 HydrophobicContact CG-CD1 4.49Å; E227-I231 WeakPolarHBondContact O-CG1 3.24Å; E227-I231 PolarHBondContact O-N 3.32Å; Y228-I231 HydrophobicContact CD1-CD1 3.62Å; Y228-I231 HydrophobicContact CE1-CD1 4.05Å; Y228-I231 PolarHBondContact O-N 3.1Å; I231-M233 VanDerWaalsContact C-N 3.34Å; I231-N235 WeakPolarHBondContact O-CB 3.37Å; I231-N235 PolarHBondContact O-N 3.25Å; I231-N235 VanDerWaalsContact O-N 3.1Å; I231-N235 PolarHBondContact O-ND2 2.83Å; I231-F270 HydrophobicContact CG2-CD2 3.85Å; I231-F270 HydrophobicContact CG2-CE2 4.41Å
232I96Very high94.9Very high18 Ų1812.4 Ų12.49%0.0926%0.061CC..Hα-helixtrans-66.9-42.7-179.1-54.9167.6000109.4A16 M17 L20 W86 Y228 T229 N230 N235 T236A16-I232 HydrophobicContact CB-CD1 4.34Å; M17-I232 HydrophobicContact CB-CD1 4.39Å; L20-I232 HydrophobicContact CB-CD1 4.21Å; L20-I232 HydrophobicContact CD1-CD1 4.19Å; L20-I232 HydrophobicContact CD1-CG1 3.91Å; L20-I232 HydrophobicContact CD2-CD1 4.39Å; L20-I232 HydrophobicContact CD2-CG1 4.21Å; L20-I232 HydrophobicContact CG-CD1 4.5Å; W86-I232 HydrophobicContact CH2-CB 4.09Å; W86-I232 HydrophobicContact CH2-CG2 3.54Å; W86-I232 HydrophobicContact CZ2-CB 3.96Å; W86-I232 HydrophobicContact CZ2-CG2 3.95Å; Y228-I232 WeakPolarHBondContact O-CG1 3.46Å; Y228-I232 PolarHBondContact O-N 3.27Å; T229-I232 PolarHBondContact O-N 3.07Å; N230-I232 PolarHBondContact O-N 2.98Å; I232-N235 PolarHBondContact O-N 3.29Å; I232-T236 HydrophobicContact CG2-CG2 4.18Å; I232-T236 WeakPolarHBondContact O-CG2 3.33Å; I232-T236 PolarHBondContact O-N 3.03Å; I232-T236 PolarHBondContact O-OG1 3.47Å
233M95.8Very high94.9Very high0 Ų011.9 Ų11.90%06%0.058CC..Hα-helixtrans-59.6-49.4178.7-173.4-80.8-60.600112L85 W86 L89 T229 N230 I231 N235 T236 L237L85-M233 HydrophobicContact CB-CE 3.87Å; L85-M233 HydrophobicContact CB-CG 3.84Å; L85-M233 HydrophobicContact CB-SD 3.94Å; L85-M233 HydrophobicContact CD1-CE 3.53Å; L85-M233 HydrophobicContact CD2-CE 4.11Å; L85-M233 HydrophobicContact CD2-SD 4.45Å; L85-M233 HydrophobicContact CG-CE 4.04Å; W86-M233 HydrophobicContact CZ2-CB 3.95Å; L89-M233 HydrophobicContact CD1-CG 4.12Å; T229-M233 WeakPolarHBondContact O-CB 3.48Å; T229-M233 PolarHBondContact O-N 2.77Å; N230-M233 PolarHBondContact O-N 3.06Å; I231-M233 VanDerWaalsContact C-N 3.34Å; M233-N235 VanDerWaalsContact C-N 3.31Å; M233-N235 PolarHBondContact O-N 3.49Å; M233-T236 WeakPolarHBondContact CA-OG1 3.46Å; M233-T236 PolarHBondContact O-N 3.23Å; M233-T236 VanDerWaalsContact O-N 3.1Å; M233-T236 PolarHBondContact O-OG1 3.2Å; M233-L237 PolarHBondContact O-N 3.19Å
234M95.1Very high94.8Very high9 Ų911.4 Ų11.44%0.0446%0.057CC..Hα-helixtrans-61.4-41.9177.6-71.1-54.518000111.4T189 E192 T193 N230 T236 L237 T238T189-M234 HydrophobicContact CG2-CB 4.46Å; T189-M234 HydrophobicContact CG2-SD 4.47Å; E192-M234 HydrophobicContact CG-CE 3.99Å; E192-M234 WeakPolarHBondContact OE1-CE 3.24Å; E192-M234 VanDerWaalsContact OE2-CE 3.29Å; E192-M234 WeakPolarHBondContact OE2-CE 3.34Å; T193-M234 HydrophobicContact CG2-CB 4.24Å; T193-M234 HydrophobicContact CG2-CG 3.74Å; N230-M234 WeakPolarHBondContact O-CB 3.44Å; N230-M234 VanDerWaalsContact O-CG 3.3Å; N230-M234 WeakPolarHBondContact O-CG 3.4Å; N230-M234 PolarHBondContact O-N 3.5Å; M234-T236 PolarHBondContact O-N 3.3Å; M234-L237 PolarHBondContact O-N 2.94Å; M234-T238 WeakPolarHBondContact O-CG2 3.44Å; M234-T238 PolarHBondContact O-N 2.72Å
235N96.3Very high94.8Very high0 Ų010 Ų100%05%0.051CC..Hα-helixtrans-64.7-38.7175-76.2-64000112I231 I232 M233 L237 T238 T239 L266 T267 F270I231-N235 WeakPolarHBondContact O-CB 3.37Å; I231-N235 PolarHBondContact O-N 3.25Å; I231-N235 VanDerWaalsContact O-N 3.1Å; I231-N235 PolarHBondContact O-ND2 2.83Å; I232-N235 PolarHBondContact O-N 3.29Å; M233-N235 VanDerWaalsContact C-N 3.31Å; M233-N235 PolarHBondContact O-N 3.49Å; N235-L237 VanDerWaalsContact C-N 3.32Å; N235-L237 PolarHBondContact O-N 3.38Å; N235-T238 WeakPolarHBondContact CA-OG1 3.38Å; N235-T238 PolarHBondContact O-N 2.81Å; N235-T238 PolarHBondContact O-OG1 3.1Å; N235-T239 PolarHBondContact O-N 3Å; N235-T239 PolarHBondContact O-OG1 3.41Å; N235-L266 HydrophobicContact CB-CB 4.28Å; N235-L266 WeakPolarHBondContact OD1-CB 3.43Å; N235-T267 HydrophobicContact CB-CG2 3.68Å; N235-F270 WeakPolarHBondContact ND2-CD2 3.43Å; N235-F270 WeakPolarHBondContact OD1-CD1 3.37Å; N235-F270 WeakPolarHBondContact OD1-CE1 3.46Å
236T95.9Very high94.4Very high3 Ų312.9 Ų12.92%0.0187%0.07CC..Hα-helixtrans-62.5-40.6173.462.20000111.8W86 L89 M91 I232 M233 M234 T239 T240 F259 T263W86-T236 HydrophobicContact CH2-CG2 4.11Å; W86-T236 HydrophobicContact CZ3-CG2 4.17Å; L89-T236 WeakPolarHBondContact CD1-OG1 3.48Å; M91-T236 HydrophobicContact CE-CG2 4.34Å; I232-T236 HydrophobicContact CG2-CG2 4.18Å; I232-T236 WeakPolarHBondContact O-CG2 3.33Å; I232-T236 PolarHBondContact O-N 3.03Å; I232-T236 PolarHBondContact O-OG1 3.47Å; M233-T236 WeakPolarHBondContact CA-OG1 3.46Å; M233-T236 PolarHBondContact O-N 3.23Å; M233-T236 VanDerWaalsContact O-N 3.1Å; M233-T236 PolarHBondContact O-OG1 3.2Å; M234-T236 PolarHBondContact O-N 3.3Å; T236-T239 WeakPolarHBondContact CA-OG1 3.3Å; T236-T239 PolarHBondContact O-N 2.99Å; T236-T239 PolarHBondContact O-OG1 3.08Å; T236-T240 WeakPolarHBondContact O-CG2 3.45Å; T236-T240 PolarHBondContact O-N 3.18Å; T236-F259 HydrophobicContact CG2-CE1 4.32Å; T236-F259 WeakPolarHBondContact O-CZ 3.48Å; T236-T263 HydrophobicContact CG2-CG2 3.73Å
237L96.1Very high94.2Very high3 Ų317 Ų172%0.0169%0.086CC..Hα-helixtrans-68.9-38.2176.1-173.8138.5000112.4L89 I105 W185 M233 M234 N235 T239 T240 I241L89-L237 HydrophobicContact CD2-CB 4.25Å; L89-L237 HydrophobicContact CD2-CD1 4.41Å; I105-L237 HydrophobicContact CB-CD1 4.34Å; I105-L237 HydrophobicContact CD1-CD1 3.35Å; I105-L237 HydrophobicContact CG1-CD1 4.42Å; I105-L237 HydrophobicContact CG2-CD1 3.62Å; W185-L237 HydrophobicContact CH2-CD2 3.57Å; W185-L237 HydrophobicContact CZ2-CD2 3.09Å; M233-L237 PolarHBondContact O-N 3.19Å; M234-L237 PolarHBondContact O-N 2.94Å; N235-L237 VanDerWaalsContact C-N 3.32Å; N235-L237 PolarHBondContact O-N 3.38Å; L237-T239 VanDerWaalsContact C-N 3.26Å; L237-T239 PolarHBondContact O-N 2.82Å; L237-T240 WeakPolarHBondContact CA-OG1 3.46Å; L237-T240 PolarHBondContact O-N 3.41Å; L237-T240 PolarHBondContact O-OG1 3.19Å; L237-I241 HydrophobicContact CD2-CD1 3.32Å; L237-I241 HydrophobicContact CD2-CG1 4.4Å; L237-I241 HydrophobicContact CG-CD1 3.9Å; L237-I241 VanDerWaalsContact O-CG1 3.32Å; L237-I241 WeakPolarHBondContact O-CG1 3.42Å; L237-I241 PolarHBondContact O-N 3.33Å
238T96.9Very high93.9Very high4 Ų419.4 Ų19.43%0.02510%0.1CC..Hα-helixtrans-61.3-38173.769.10000111.1T189 M234 N235 F242 L266T189-T238 HydrophobicContact CG2-CG2 4.1Å; M234-T238 WeakPolarHBondContact O-CG2 3.44Å; M234-T238 PolarHBondContact O-N 2.72Å; N235-T238 WeakPolarHBondContact CA-OG1 3.38Å; N235-T238 PolarHBondContact O-N 2.81Å; N235-T238 PolarHBondContact O-OG1 3.1Å; T238-F242 PolarHBondContact O-N 2.99Å; T238-L266 WeakPolarHBondContact OG1-CD1 3.37Å
239T96.7Very high93.5Very high0 Ų021.9 Ų21.90%012%0.124CC..Hα-helixtrans-70.1-37.3175.852.30000113.1N235 T236 L237 I241 L243 G244 F259 K262 T263 L266N235-T239 PolarHBondContact O-N 3Å; N235-T239 PolarHBondContact O-OG1 3.41Å; T236-T239 WeakPolarHBondContact CA-OG1 3.3Å; T236-T239 PolarHBondContact O-N 2.99Å; T236-T239 PolarHBondContact O-OG1 3.08Å; L237-T239 VanDerWaalsContact C-N 3.26Å; L237-T239 PolarHBondContact O-N 2.82Å; T239-I241 VanDerWaalsContact C-N 3.32Å; T239-I241 PolarHBondContact O-N 3.26Å; T239-L243 CarbonylContact O-C 3.33Å; T239-L243 WeakPolarHBondContact O-CA 3.42Å; T239-L243 PolarHBondContact O-N 2.86Å; T239-G244 PolarHBondContact O-N 2.91Å; T239-F259 WeakPolarHBondContact OG1-CE2 3.3Å; T239-F259 VanDerWaalsContact OG1-CZ 3.25Å; T239-F259 WeakPolarHBondContact OG1-CZ 3.25Å; T239-K262 HydrophobicContact CG2-CB 3.88Å; T239-T263 HydrophobicContact CG2-CG2 3.57Å; T239-T263 WeakPolarHBondContact OG1-CG2 3.38Å; T239-L266 HydrophobicContact CG2-CD1 3.46Å; T239-L266 VanDerWaalsContact CG2-CD1 3.46Å; T239-L266 HydrophobicContact CG2-CG 4.2Å
240T95.5Very high93.2Very high3 Ų329.7 Ų29.72%0.01817%0.165CC..Hα-helixtrans-65.8-37.8177.255.40000111.2P90 Q169 T236 L237 F259P90-T240 HydrophobicContact CG-CG2 4.03Å; Q169-T240 PolarHBondContact NE2-O 3.21Å; T236-T240 WeakPolarHBondContact O-CG2 3.45Å; T236-T240 PolarHBondContact O-N 3.18Å; L237-T240 WeakPolarHBondContact CA-OG1 3.46Å; L237-T240 PolarHBondContact O-N 3.41Å; L237-T240 PolarHBondContact O-OG1 3.19Å; T240-F259 HydrophobicContact CG2-CE2 3.43Å; T240-F259 VanDerWaalsContact CG2-CE2 3.43Å; T240-F259 HydrophobicContact CG2-CZ 3.59Å
241I95.7Very high93Very high1 Ų129.7 Ų29.71%0.00517%0.168CC..Hα-helixtrans-77.9-43.1-176.5-63.5167.8000112.5L102 L150 T153 L165 Q169 L174 W185 L237 T239L102-I241 HydrophobicContact CD1-CD1 4.43Å; L150-I241 HydrophobicContact CD2-CD1 3.36Å; L150-I241 HydrophobicContact CD2-CG1 4.49Å; T153-I241 HydrophobicContact CG2-CG2 4.32Å; L165-I241 HydrophobicContact CD1-CG1 4.1Å; Q169-I241 PolarHBondContact NE2-O 3.42Å; L174-I241 VanDerWaalsContact CB-O 3.25Å; L174-I241 WeakPolarHBondContact CB-O 3.32Å; L174-I241 HydrophobicContact CD2-CG2 4.45Å; W185-I241 HydrophobicContact CH2-CD1 4.41Å; W185-I241 HydrophobicContact CZ2-CD1 4.18Å; L237-I241 HydrophobicContact CD2-CD1 3.32Å; L237-I241 HydrophobicContact CD2-CG1 4.4Å; L237-I241 HydrophobicContact CG-CD1 3.9Å; L237-I241 VanDerWaalsContact O-CG1 3.32Å; L237-I241 WeakPolarHBondContact O-CG1 3.42Å; L237-I241 PolarHBondContact O-N 3.33Å; T239-I241 VanDerWaalsContact C-N 3.32Å; T239-I241 PolarHBondContact O-N 3.26Å
242F96.4Very high92.9Very high6 Ų631.9 Ų31.93%0.02618%0.182CC..Hα-helixtrans-111.2-27.1-170-65.9-72.4000114.7T153 L174 L175 S178 A182 W185 T238T153-F242 HydrophobicContact CG2-CE1 3.7Å; T153-F242 HydrophobicContact CG2-CZ 3.71Å; L174-F242 PolarHBondContact N-O 2.72Å; L175-F242 HydrophobicContact CB-CB 4.14Å; L175-F242 WeakPolarHBondContact CB-O 3.24Å; L175-F242 PolarHBondContact N-O 2.81Å; L175-F242 VanDerWaalsContact N-O 3.1Å; S178-F242 WeakPolarHBondContact OG-CE1 3.42Å; A182-F242 HydrophobicContact CB-CD1 3.54Å; A182-F242 HydrophobicContact CB-CD2 4.31Å; A182-F242 HydrophobicContact CB-CE1 3.59Å; A182-F242 HydrophobicContact CB-CE2 4.37Å; A182-F242 HydrophobicContact CB-CG 3.9Å; A182-F242 HydrophobicContact CB-CZ 4.02Å; W185-F242 HydrophobicContact CB-CE2 3.78Å; W185-F242 HydrophobicContact CB-CZ 3.99Å; W185-F242 AromaticContact CD1-CD2 3.93Å; W185-F242 AromaticContact CD1-CE2 3.37Å; W185-F242 HydrophobicContact CD2-CE2 4.01Å; W185-F242 HydrophobicContact CG-CD2 4.36Å; W185-F242 AromaticContact CG-CE2 3.4Å; W185-F242 HydrophobicContact CG-CE2 3.4Å; W185-F242 HydrophobicContact CG-CZ 4.05Å; W185-F242 AromaticContact NE1-CE2 3.93Å; T238-F242 PolarHBondContact O-N 2.99Å
243L95.2Very high92.7Very high28 Ų2838.1 Ų38.115%0.14721%0.211CC..SBendtrans-12744-169.1-64.5174.8000112W173 L175 T239 K262 L266W173-L243 HydrophobicContact CD2-CD2 4.3Å; W173-L243 HydrophobicContact CE3-CD2 3.86Å; W173-L243 HydrophobicContact CZ3-CD2 4.31Å; L175-L243 HydrophobicContact CB-CD2 4.25Å; L175-L243 HydrophobicContact CD1-CD2 3.93Å; L175-L243 HydrophobicContact CD1-CG 4.36Å; T239-L243 CarbonylContact O-C 3.33Å; T239-L243 WeakPolarHBondContact O-CA 3.42Å; T239-L243 PolarHBondContact O-N 2.86Å; L243-K262 HydrophobicContact CB-CD 4.11Å; L243-K262 WeakPolarHBondContact O-CD 3.42Å; L243-K262 PolarHBondContact O-NZ 3.22Å; L243-L266 HydrophobicContact CD1-CD1 4.18Å; L243-L266 HydrophobicContact CD1-CD2 4.35Å; L243-L266 HydrophobicContact CD1-CG 4.47Å
244G89Confident92.5Very high1 Ų142.3 Ų42.31%0.0123%0.233CC..  trans-52.1152.1176.100000112.7W173 T239 K262W173-G244 PolarHBondContact NE1-O 3.42Å; T239-G244 PolarHBondContact O-N 2.91Å; G244-K262 PolarHBondContact O-NZ 3.08Å
245T90.2Very high92.5Very high8 Ų841.9 Ų41.95%0.04923%0.231CC..  trans-111.9145.8177.742.10000108.9Y247 Y255 K262T245-Y247 PolarHBondContact O-N 3.15Å; T245-Y255 WeakPolarHBondContact O-CE2 3.24Å; T245-Y255 WeakPolarHBondContact OG1-CD2 3.2Å; T245-Y255 WeakPolarHBondContact OG1-CE2 3.16Å; T245-Y255 VanDerWaalsContact OG1-CZ 3.25Å; T245-K262 HydrophobicContact CG2-CD 3.95Å
246T86.2Confident92.4Very high94 Ų9444.1 Ų44.158%0.57725%0.245SC*.  trans-62.8131175.3490000109.5
247Y88.3Confident92.3Very high92 Ų9247.6 Ų47.636%0.36127%0.266SS..  trans-94.1119.2177.8175.5-108.4000109.7P92 T245 A249 P252 Y255P92-Y247 HydrophobicContact CB-CD2 3.66Å; P92-Y247 HydrophobicContact CB-CE2 3.67Å; P92-Y247 HydrophobicContact CG-CD2 4.08Å; P92-Y247 HydrophobicContact CG-CE2 3.7Å; T245-Y247 PolarHBondContact O-N 3.15Å; Y247-A249 HydrophobicContact CE1-CB 4.05Å; Y247-P252 HydrophobicContact CE2-CB 4.43Å; Y247-Y255 HydrophobicContact CD2-CD2 4.38Å
248D87.1Confident92.3Very high82 Ų8253.6 Ų53.644%0.43929%0.289SS..  trans-105.9120.5167.2-170-10000108.7L250 S251D248-L250 PolarHBondContact O-N 2.64Å; D248-L250 PolarHBondContact OD1-N 3.39Å; D248-S251 CarbonylContact O-C 3Å; D248-S251 PolarHBondContact O-N 2.94Å
249A85.9Confident92.2Very high72 Ų7253.5 Ų53.560%0.59529%0.288SS*.THydrogen-bonded Turntrans-65.2-26-17600000112.9Y247Y247-A249 HydrophobicContact CE1-CB 4.05Å
250L89.7Confident92.2Very high163 Ų16356.6 Ų56.685%0.85331%0.307SS*.THydrogen-bonded Turntrans-75.4-26.8179.5-68.3168.9000112.4D248D248-L250 PolarHBondContact O-N 2.64Å; D248-L250 PolarHBondContact OD1-N 3.39Å
251S91Very high92.2Very high32 Ų3260 Ų6022%0.22433%0.328CS..  trans-13974.7-175.458.50000111.3D248 E253 L254D248-S251 CarbonylContact O-C 3Å; D248-S251 PolarHBondContact O-N 2.94Å; S251-E253 PolarHBondContact O-N 3.28Å; S251-E253 VanDerWaalsContact O-N 3.13Å; S251-L254 PolarHBondContact O-N 2.67Å; S251-L254 VanDerWaalsContact O-N 3.1Å; S251-L254 VanDerWaalsContact OG-CD1 3.31Å; S251-L254 WeakPolarHBondContact OG-CD1 3.34Å
252P91Very high92.3Very high50 Ų5061.6 Ų61.633%0.32534%0.335SS..Hα-helixtrans-62.1-22.1179.225.8-34.8000112.8P92 Y247 L254 Y255 T256P92-P252 HydrophobicContact CG-CB 3.86Å; Y247-P252 HydrophobicContact CE2-CB 4.43Å; P252-L254 VanDerWaalsContact C-N 3.29Å; P252-L254 PolarHBondContact O-N 2.78Å; P252-Y255 WeakPolarHBondContact O-CB 3.36Å; P252-Y255 PolarHBondContact O-N 3.33Å; P252-T256 PolarHBondContact O-N 3.15Å
253E92.4Very high92.3Very high150 Ų15061.8 Ų61.870%0.70134%0.336SS*.Hα-helixtrans-65.2-29.5176.8-62169.8-173.100112.8S251 Y255 T256 T257S251-E253 PolarHBondContact O-N 3.28Å; S251-E253 VanDerWaalsContact O-N 3.13Å; E253-Y255 VanDerWaalsContact C-N 3.33Å; E253-T256 WeakPolarHBondContact CA-OG1 3.27Å; E253-T256 PolarHBondContact O-N 3.14Å; E253-T256 PolarHBondContact O-OG1 2.9Å; E253-T257 WeakPolarHBondContact O-CG2 3.18Å; E253-T257 PolarHBondContact O-N 2.87Å; E253-T257 PolarHBondContact O-OG1 2.92Å
254L92.9Very high92.3Very high87 Ų8765.4 Ų65.446%0.45536%0.356SS..Hα-helixtrans-67.6-38.6174.3-66.9-176.7000110.9S251 P252 T257 Y258S251-L254 PolarHBondContact O-N 2.67Å; S251-L254 VanDerWaalsContact O-N 3.1Å; S251-L254 VanDerWaalsContact OG-CD1 3.31Å; S251-L254 WeakPolarHBondContact OG-CD1 3.34Å; P252-L254 VanDerWaalsContact C-N 3.29Å; P252-L254 PolarHBondContact O-N 2.78Å; L254-T257 WeakPolarHBondContact CA-OG1 3.24Å; L254-T257 PolarHBondContact O-OG1 3.49Å; L254-Y258 HydrophobicContact CB-CE2 4.34Å; L254-Y258 WeakPolarHBondContact O-CD2 3.1Å; L254-Y258 PolarHBondContact O-N 3.3Å; L254-Y258 VanDerWaalsContact O-N 3.12Å
255Y93.8Very high92.7Very high1 Ų170.6 Ų70.60%0.00438%0.383CS..Hα-helixtrans-60.3-49.8174.2-178.9-80.4000110.7P92 I166 T245 Y247 P252 E253 T257 Y258 F259P92-Y255 HydrophobicContact CB-CD1 3.59Å; P92-Y255 HydrophobicContact CB-CD2 4.38Å; P92-Y255 HydrophobicContact CB-CE1 3.98Å; P92-Y255 HydrophobicContact CB-CG 3.85Å; P92-Y255 HydrophobicContact CG-CD1 4.18Å; P92-Y255 HydrophobicContact CG-CG 4.4Å; I166-Y255 HydrophobicContact CD1-CE1 4.4Å; I166-Y255 HydrophobicContact CD1-CE2 3.92Å; I166-Y255 VanDerWaalsContact CD1-OH 3.26Å; I166-Y255 WeakPolarHBondContact CD1-OH 3.38Å; I166-Y255 HydrophobicContact CG1-CE2 4.17Å; I166-Y255 WeakPolarHBondContact CG1-OH 3.39Å; I166-Y255 HydrophobicContact CG2-CE2 3.72Å; T245-Y255 WeakPolarHBondContact O-CE2 3.24Å; T245-Y255 WeakPolarHBondContact OG1-CD2 3.2Å; T245-Y255 WeakPolarHBondContact OG1-CE2 3.16Å; T245-Y255 VanDerWaalsContact OG1-CZ 3.25Å; Y247-Y255 HydrophobicContact CD2-CD2 4.38Å; P252-Y255 WeakPolarHBondContact O-CB 3.36Å; P252-Y255 PolarHBondContact O-N 3.33Å; E253-Y255 VanDerWaalsContact C-N 3.33Å; Y255-T257 VanDerWaalsContact C-N 3.35Å; Y255-T257 PolarHBondContact O-N 3.44Å; Y255-Y258 PolarHBondContact O-N 3.14Å; Y255-F259 HydrophobicContact CD1-CB 4.33Å; Y255-F259 HydrophobicContact CE1-CB 4.08Å; Y255-F259 HydrophobicContact CE1-CD2 4.32Å; Y255-F259 HydrophobicContact CE1-CG 4.24Å; Y255-F259 WeakPolarHBondContact O-CB 3.24Å; Y255-F259 PolarHBondContact O-N 3.43Å
256T94.5Very high93Very high47 Ų4771.2 Ų71.229%0.28839%0.385SS..Hα-helixtrans-63.4-40.6-177.159.70000111.9P92 P252 E253 F259 V260P92-T256 VanDerWaalsContact CD-CG2 3.44Å; P252-T256 PolarHBondContact O-N 3.15Å; E253-T256 WeakPolarHBondContact CA-OG1 3.27Å; E253-T256 PolarHBondContact O-N 3.14Å; E253-T256 PolarHBondContact O-OG1 2.9Å; T256-F259 PolarHBondContact O-N 3.15Å; T256-V260 VanDerWaalsContact O-CB 3.31Å; T256-V260 WeakPolarHBondContact O-CB 3.48Å; T256-V260 WeakPolarHBondContact O-CG2 3.33Å; T256-V260 PolarHBondContact O-N 3.24Å
257T94.4Very high93.4Very high75 Ų7567.2 Ų67.246%0.4636%0.361SS..Hα-helixtrans-64-49.4178.151.20000112E253 L254 Y255 F259 V260 T261E253-T257 WeakPolarHBondContact O-CG2 3.18Å; E253-T257 PolarHBondContact O-N 2.87Å; E253-T257 PolarHBondContact O-OG1 2.92Å; L254-T257 WeakPolarHBondContact CA-OG1 3.24Å; L254-T257 PolarHBondContact O-OG1 3.49Å; Y255-T257 VanDerWaalsContact C-N 3.35Å; Y255-T257 PolarHBondContact O-N 3.44Å; T257-F259 PolarHBondContact O-N 3.42Å; T257-V260 PolarHBondContact O-N 2.89Å; T257-T261 WeakPolarHBondContact O-CG2 3.49Å; T257-T261 PolarHBondContact O-N 2.82Å; T257-T261 PolarHBondContact O-OG1 3.26Å
258Y95.1Very high93.7Very high130 Ų13064.9 Ų64.951%0.5136%0.358SS..Hα-helixtrans-63.3-42.7176.8-68.6-53.8000112L254 Y255 V260 T261 K262L254-Y258 HydrophobicContact CB-CE2 4.34Å; L254-Y258 WeakPolarHBondContact O-CD2 3.1Å; L254-Y258 PolarHBondContact O-N 3.3Å; L254-Y258 VanDerWaalsContact O-N 3.12Å; Y255-Y258 PolarHBondContact O-N 3.14Å; Y258-V260 PolarHBondContact O-N 3.38Å; Y258-T261 PolarHBondContact O-N 3.02Å; Y258-T261 PolarHBondContact O-OG1 3.06Å; Y258-K262 WeakPolarHBondContact O-CG 3.38Å; Y258-K262 PolarHBondContact O-N 3.36Å; Y258-K262 VanDerWaalsContact O-N 3.08Å
259F95.8Very high94Very high1 Ų164.1 Ų64.10%0.00435%0.353CS..Hα-helixtrans-58.7-48.5176.9-178-99.6000111.4M91 T236 T239 T240 Y255 T256 T257 T261 K262 T263M91-F259 HydrophobicContact CE-CE1 4.04Å; M91-F259 HydrophobicContact CG-CD1 4.33Å; M91-F259 HydrophobicContact CG-CE1 4.06Å; M91-F259 HydrophobicContact SD-CE1 4.33Å; T236-F259 HydrophobicContact CG2-CE1 4.32Å; T236-F259 WeakPolarHBondContact O-CZ 3.48Å; T239-F259 WeakPolarHBondContact OG1-CE2 3.3Å; T239-F259 VanDerWaalsContact OG1-CZ 3.25Å; T239-F259 WeakPolarHBondContact OG1-CZ 3.25Å; T240-F259 HydrophobicContact CG2-CE2 3.43Å; T240-F259 VanDerWaalsContact CG2-CE2 3.43Å; T240-F259 HydrophobicContact CG2-CZ 3.59Å; Y255-F259 HydrophobicContact CD1-CB 4.33Å; Y255-F259 HydrophobicContact CE1-CB 4.08Å; Y255-F259 HydrophobicContact CE1-CD2 4.32Å; Y255-F259 HydrophobicContact CE1-CG 4.24Å; Y255-F259 WeakPolarHBondContact O-CB 3.24Å; Y255-F259 PolarHBondContact O-N 3.43Å; T256-F259 PolarHBondContact O-N 3.15Å; T257-F259 PolarHBondContact O-N 3.42Å; F259-T261 PolarHBondContact O-N 3.4Å; F259-K262 PolarHBondContact O-N 2.98Å; F259-T263 HydrophobicContact CD1-CG2 4.27Å; F259-T263 HydrophobicContact CE1-CG2 3.9Å; F259-T263 HydrophobicContact CE2-CG2 4.49Å; F259-T263 HydrophobicContact CZ-CG2 4.02Å; F259-T263 WeakPolarHBondContact O-CG2 3.28Å; F259-T263 PolarHBondContact O-N 3.16Å; F259-T263 PolarHBondContact O-OG1 3.38Å
260V95.5Very high94.4Very high65 Ų6561.1 Ų61.139%0.39433%0.327SS..Hα-helixtrans-63.1-39.51781710000111.9T256 T257 Y258 K262 T263 L264T256-V260 VanDerWaalsContact O-CB 3.31Å; T256-V260 WeakPolarHBondContact O-CB 3.48Å; T256-V260 WeakPolarHBondContact O-CG2 3.33Å; T256-V260 PolarHBondContact O-N 3.24Å; T257-V260 PolarHBondContact O-N 2.89Å; Y258-V260 PolarHBondContact O-N 3.38Å; V260-K262 VanDerWaalsContact C-N 3.33Å; V260-K262 PolarHBondContact O-N 3.15Å; V260-T263 WeakPolarHBondContact CA-OG1 3.33Å; V260-T263 PolarHBondContact O-N 2.65Å; V260-T263 PolarHBondContact O-OG1 3.04Å; V260-L264 HydrophobicContact CG1-CD1 3.91Å; V260-L264 HydrophobicContact CG1-CG 4.28Å; V260-L264 WeakPolarHBondContact O-CB 3.19Å; V260-L264 VanDerWaalsContact O-CG 3.27Å; V260-L264 WeakPolarHBondContact O-CG 3.05Å; V260-L264 PolarHBondContact O-N 3.2Å
261T96.1Very high94.6Very high75 Ų7553.7 Ų53.746%0.4629%0.288SS..Hα-helixtrans-63.3-40.1176.359.80000112.1T257 Y258 F259 L264 L265T257-T261 WeakPolarHBondContact O-CG2 3.49Å; T257-T261 PolarHBondContact O-N 2.82Å; T257-T261 PolarHBondContact O-OG1 3.26Å; Y258-T261 PolarHBondContact O-N 3.02Å; Y258-T261 PolarHBondContact O-OG1 3.06Å; F259-T261 PolarHBondContact O-N 3.4Å; T261-L264 PolarHBondContact O-N 3.46Å; T261-L265 WeakPolarHBondContact O-CG 3.25Å; T261-L265 PolarHBondContact O-N 3.27Å
262K96.9Very high94.7Very high34 Ų3458.9 Ų58.915%0.14830%0.303CS..Hα-helixtrans-66.3-40.7176.6-67.6179.3-177.8-168.70111.9T239 L243 G244 T245 Y258 F259 V260 L265 L266T239-K262 HydrophobicContact CG2-CB 3.88Å; L243-K262 HydrophobicContact CB-CD 4.11Å; L243-K262 WeakPolarHBondContact O-CD 3.42Å; L243-K262 PolarHBondContact O-NZ 3.22Å; G244-K262 PolarHBondContact O-NZ 3.08Å; T245-K262 HydrophobicContact CG2-CD 3.95Å; Y258-K262 WeakPolarHBondContact O-CG 3.38Å; Y258-K262 PolarHBondContact O-N 3.36Å; Y258-K262 VanDerWaalsContact O-N 3.08Å; F259-K262 PolarHBondContact O-N 2.98Å; V260-K262 VanDerWaalsContact C-N 3.33Å; V260-K262 PolarHBondContact O-N 3.15Å; K262-L265 PolarHBondContact O-N 3.33Å; K262-L266 PolarHBondContact O-N 2.89Å
263T96.6Very high94.9Very high10 Ų1057.7 Ų57.76%0.06129%0.293CS..Hα-helixtrans-67.3-38.4177.257.80000111.9T236 T239 F259 V260 L265 L266 T267T236-T263 HydrophobicContact CG2-CG2 3.73Å; T239-T263 HydrophobicContact CG2-CG2 3.57Å; T239-T263 WeakPolarHBondContact OG1-CG2 3.38Å; F259-T263 HydrophobicContact CD1-CG2 4.27Å; F259-T263 HydrophobicContact CE1-CG2 3.9Å; F259-T263 HydrophobicContact CE2-CG2 4.49Å; F259-T263 HydrophobicContact CZ-CG2 4.02Å; F259-T263 WeakPolarHBondContact O-CG2 3.28Å; F259-T263 PolarHBondContact O-N 3.16Å; F259-T263 PolarHBondContact O-OG1 3.38Å; V260-T263 WeakPolarHBondContact CA-OG1 3.33Å; V260-T263 PolarHBondContact O-N 2.65Å; V260-T263 PolarHBondContact O-OG1 3.04Å; T263-L265 VanDerWaalsContact C-N 3.31Å; T263-L265 PolarHBondContact O-N 3.36Å; T263-L266 PolarHBondContact O-N 2.94Å; T263-T267 WeakPolarHBondContact O-CG2 3.01Å; T263-T267 PolarHBondContact O-N 2.99Å; T263-T267 PolarHBondContact O-OG1 3.47Å
264L96.5Very high94.8Very high105 Ų10553.9 Ų53.955%0.5527%0.273SS..Hα-helixtrans-63-37.5173.1-72.1173.6000112.1V260 T261 T267 S268V260-L264 HydrophobicContact CG1-CD1 3.91Å; V260-L264 HydrophobicContact CG1-CG 4.28Å; V260-L264 WeakPolarHBondContact O-CB 3.19Å; V260-L264 VanDerWaalsContact O-CG 3.27Å; V260-L264 WeakPolarHBondContact O-CG 3.05Å; V260-L264 PolarHBondContact O-N 3.2Å; T261-L264 PolarHBondContact O-N 3.46Å; L264-T267 VanDerWaalsContact CA-OG1 3.28Å; L264-T267 WeakPolarHBondContact CA-OG1 3.42Å; L264-T267 PolarHBondContact O-OG1 3.41Å; L264-S268 WeakPolarHBondContact O-CB 3.25Å; L264-S268 PolarHBondContact O-N 2.86Å
265L96.5Very high94.7Very high110 Ų11051.9 Ų51.958%0.57626%0.264SS*.Hα-helixtrans-64.8-47.2173.5-72.2169000111.6T261 K262 T263 S268 L269T261-L265 WeakPolarHBondContact O-CG 3.25Å; T261-L265 PolarHBondContact O-N 3.27Å; K262-L265 PolarHBondContact O-N 3.33Å; T263-L265 VanDerWaalsContact C-N 3.31Å; T263-L265 PolarHBondContact O-N 3.36Å; L265-S268 PolarHBondContact O-N 3.02Å; L265-S268 PolarHBondContact O-OG 2.94Å; L265-L269 PolarHBondContact O-N 2.87Å
266L96.1Very high94.6Very high21 Ų2154.4 Ų54.411%0.1129%0.286CS..Hα-helixtrans-65.3-40.1178.2-67.5-173.4000113F186 N235 T238 T239 L243 K262 T263 S268 L269 F270F186-L266 HydrophobicContact CE2-CD2 4.26Å; N235-L266 HydrophobicContact CB-CB 4.28Å; N235-L266 WeakPolarHBondContact OD1-CB 3.43Å; T238-L266 WeakPolarHBondContact OG1-CD1 3.37Å; T239-L266 HydrophobicContact CG2-CD1 3.46Å; T239-L266 VanDerWaalsContact CG2-CD1 3.46Å; T239-L266 HydrophobicContact CG2-CG 4.2Å; L243-L266 HydrophobicContact CD1-CD1 4.18Å; L243-L266 HydrophobicContact CD1-CD2 4.35Å; L243-L266 HydrophobicContact CD1-CG 4.47Å; K262-L266 PolarHBondContact O-N 2.89Å; T263-L266 PolarHBondContact O-N 2.94Å; L266-S268 VanDerWaalsContact C-N 3.3Å; L266-S268 PolarHBondContact O-N 3.24Å; L266-L269 HydrophobicContact CD2-CD1 3.92Å; L266-L269 WeakPolarHBondContact O-CB 3.4Å; L266-L269 PolarHBondContact O-N 3.2Å; L266-L269 VanDerWaalsContact O-N 3.11Å; L266-F270 PolarHBondContact O-N 2.85Å
267T95.5Very high94.4Very high9 Ų959 Ų596%0.05530%0.298CS..Hα-helixtrans-63.1-37.3173.153.20000111.5L20 N235 T263 L264 L269 F270 L271L20-T267 HydrophobicContact CD1-CG2 4.39Å; N235-T267 HydrophobicContact CB-CG2 3.68Å; T263-T267 WeakPolarHBondContact O-CG2 3.01Å; T263-T267 PolarHBondContact O-N 2.99Å; T263-T267 PolarHBondContact O-OG1 3.47Å; L264-T267 VanDerWaalsContact CA-OG1 3.28Å; L264-T267 WeakPolarHBondContact CA-OG1 3.42Å; L264-T267 PolarHBondContact O-OG1 3.41Å; T267-L269 VanDerWaalsContact C-N 3.31Å; T267-L269 PolarHBondContact O-N 3.43Å; T267-F270 WeakPolarHBondContact O-CB 3.33Å; T267-F270 PolarHBondContact O-N 2.71Å; T267-L271 WeakPolarHBondContact O-CG 3.35Å; T267-L271 PolarHBondContact O-N 3.46Å; T267-L271 VanDerWaalsContact O-N 3.1Å
268S94Very high94.2Very high44 Ų4460.4 Ų60.431%0.30831%0.309SS..Hα-helixtrans-65.1-33.7173.179.60000112.8L264 L265 L266 L271 W272L264-S268 WeakPolarHBondContact O-CB 3.25Å; L264-S268 PolarHBondContact O-N 2.86Å; L265-S268 PolarHBondContact O-N 3.02Å; L265-S268 PolarHBondContact O-OG 2.94Å; L266-S268 VanDerWaalsContact C-N 3.3Å; L266-S268 PolarHBondContact O-N 3.24Å; S268-L271 PolarHBondContact O-N 3.5Å; S268-W272 WeakPolarHBondContact O-CB 3.27Å; S268-W272 PolarHBondContact O-N 3.48Å
269L94.9Very high93.8Very high65 Ų6558.7 Ų58.734%0.3430%0.302SS..Hα-helixtrans-66.5-41172.4-70.3172.1000111.6F186 L265 L266 T267 L271 W272 I273F186-L269 HydrophobicContact CZ-CB 4.12Å; L265-L269 PolarHBondContact O-N 2.87Å; L266-L269 HydrophobicContact CD2-CD1 3.92Å; L266-L269 WeakPolarHBondContact O-CB 3.4Å; L266-L269 PolarHBondContact O-N 3.2Å; L266-L269 VanDerWaalsContact O-N 3.11Å; T267-L269 VanDerWaalsContact C-N 3.31Å; T267-L269 PolarHBondContact O-N 3.43Å; L269-L271 VanDerWaalsContact C-N 3.29Å; L269-L271 PolarHBondContact O-N 3.18Å; L269-W272 HydrophobicContact CD2-CE3 3.78Å; L269-W272 HydrophobicContact CD2-CZ3 4.18Å; L269-W272 PolarHBondContact O-N 3.27Å; L269-I273 WeakPolarHBondContact O-CB 3.47Å; L269-I273 VanDerWaalsContact O-CG1 3.25Å; L269-I273 WeakPolarHBondContact O-CG1 3.3Å; L269-I273 PolarHBondContact O-N 3.4Å
270F93.5Very high93.2Very high9 Ų962.4 Ų62.44%0.03932%0.318CS..Hα-helixtrans-55.3-45.8172-94.542000111.4F186 L190 I231 N235 L266 T267 I273 R274F186-F270 AromaticContact CD2-CE1 3.94Å; F186-F270 HydrophobicContact CD2-CE1 3.94Å; F186-F270 HydrophobicContact CE1-CD1 4.37Å; F186-F270 HydrophobicContact CE1-CE1 4.26Å; F186-F270 AromaticContact CE2-CD1 3.65Å; F186-F270 HydrophobicContact CE2-CD1 3.65Å; F186-F270 AromaticContact CE2-CE1 3.34Å; F186-F270 HydrophobicContact CE2-CE1 3.34Å; F186-F270 AromaticContact CZ-CD1 3.48Å; F186-F270 HydrophobicContact CZ-CD1 3.48Å; F186-F270 VanDerWaalsContact CZ-CD1 3.48Å; F186-F270 AromaticContact CZ-CE1 3.53Å; F186-F270 HydrophobicContact CZ-CE1 3.53Å; L190-F270 HydrophobicContact CB-CZ 4.46Å; L190-F270 HydrophobicContact CD2-CB 4.45Å; L190-F270 HydrophobicContact CD2-CD1 3.74Å; L190-F270 HydrophobicContact CD2-CD2 3.8Å; L190-F270 HydrophobicContact CD2-CE1 3.81Å; L190-F270 HydrophobicContact CD2-CE2 3.89Å; L190-F270 HydrophobicContact CD2-CG 3.73Å; L190-F270 HydrophobicContact CD2-CZ 3.89Å; L190-F270 HydrophobicContact CG-CD1 4.1Å; L190-F270 HydrophobicContact CG-CE1 3.69Å; L190-F270 HydrophobicContact CG-CE2 4.24Å; L190-F270 HydrophobicContact CG-CZ 3.77Å; I231-F270 HydrophobicContact CG2-CD2 3.85Å; I231-F270 HydrophobicContact CG2-CE2 4.41Å; N235-F270 WeakPolarHBondContact ND2-CD2 3.43Å; N235-F270 WeakPolarHBondContact OD1-CD1 3.37Å; N235-F270 WeakPolarHBondContact OD1-CE1 3.46Å; L266-F270 PolarHBondContact O-N 2.85Å; T267-F270 WeakPolarHBondContact O-CB 3.33Å; T267-F270 PolarHBondContact O-N 2.71Å; F270-I273 PolarHBondContact O-N 3.04Å; F270-R274 PolarHBondContact O-N 3.3Å
271L93.6Very high92.8Very high7 Ų766.4 Ų66.44%0.03733%0.326CS..Hα-helixtrans-67.1-36.8178.6-63.2176.1000112.3E24 I27 T267 S268 L269 R274 T275E24-L271 HydrophobicContact CB-CD1 4.28Å; E24-L271 HydrophobicContact CB-CD2 3.68Å; E24-L271 HydrophobicContact CG-CD2 3.74Å; I27-L271 HydrophobicContact CD1-CD1 3.62Å; I27-L271 HydrophobicContact CG2-CB 4.21Å; T267-L271 WeakPolarHBondContact O-CG 3.35Å; T267-L271 PolarHBondContact O-N 3.46Å; T267-L271 VanDerWaalsContact O-N 3.1Å; S268-L271 PolarHBondContact O-N 3.5Å; L269-L271 VanDerWaalsContact C-N 3.29Å; L269-L271 PolarHBondContact O-N 3.18Å; L271-R274 PolarHBondContact O-N 2.99Å; L271-T275 PolarHBondContact O-N 3.38Å
272W94.2Very high92.2Very high141 Ų14166 Ų6653%0.53432%0.316SS..Hα-helixtrans-66.1-45.9176-178.634.3000112M31 S268 L269 R274 T275 A276M31-W272 HydrophobicContact CE-CB 3.72Å; M31-W272 HydrophobicContact CE-CG 3.73Å; M31-W272 HydrophobicContact SD-CB 4.46Å; M31-W272 HydrophobicContact SD-CG 4.47Å; S268-W272 WeakPolarHBondContact O-CB 3.27Å; S268-W272 PolarHBondContact O-N 3.48Å; L269-W272 HydrophobicContact CD2-CE3 3.78Å; L269-W272 HydrophobicContact CD2-CZ3 4.18Å; L269-W272 PolarHBondContact O-N 3.27Å; W272-R274 PolarHBondContact O-N 3.12Å; W272-T275 PolarHBondContact O-N 3Å; W272-T275 PolarHBondContact O-OG1 3.2Å; W272-A276 PolarHBondContact O-N 2.66Å; W272-A276 VanDerWaalsContact O-N 3.11Å
273I94Very high91.8Very high25 Ų2567.7 Ų67.713%0.12833%0.327CS..Hα-helixtrans-57.8-39.6178.5-72.5168.7000110.9F186 L190 L269 F270 T275 A276 Y277F186-I273 HydrophobicContact CE1-CD1 3.43Å; F186-I273 VanDerWaalsContact CE1-CD1 3.43Å; F186-I273 HydrophobicContact CZ-CD1 4.02Å; L190-I273 HydrophobicContact CD1-CD1 3.87Å; L190-I273 HydrophobicContact CD1-CG2 4.16Å; L190-I273 HydrophobicContact CD2-CG2 4.38Å; L269-I273 WeakPolarHBondContact O-CB 3.47Å; L269-I273 VanDerWaalsContact O-CG1 3.25Å; L269-I273 WeakPolarHBondContact O-CG1 3.3Å; L269-I273 PolarHBondContact O-N 3.4Å; F270-I273 PolarHBondContact O-N 3.04Å; I273-T275 VanDerWaalsContact C-N 3.26Å; I273-T275 PolarHBondContact O-N 3.41Å; I273-A276 PolarHBondContact O-N 3.36Å; I273-Y277 HydrophobicContact CB-CD2 4.32Å; I273-Y277 HydrophobicContact CB-CE2 4.5Å; I273-Y277 HydrophobicContact CG1-CE2 4.23Å; I273-Y277 HydrophobicContact CG2-CD2 3.78Å; I273-Y277 HydrophobicContact CG2-CE2 4.22Å; I273-Y277 WeakPolarHBondContact O-CD2 3.4Å; I273-Y277 PolarHBondContact O-N 3.11Å
274R90.5Very high91.5Very high71 Ų7171.8 Ų71.827%0.26835%0.346SS..Hα-helixtrans-56.6-36.8172.8166.7163.4-163.3165.616.8113.4E24 L28 T196 F270 L271 W272E24-R274 WeakPolarHBondContact OE1-CD 3.42Å; E24-R274 IonicContact OE1-CZ 3.95Å; E24-R274 IonicContact OE1-NE 2.82Å; E24-R274 IonicContact OE1-NH1 3.19Å; E24-R274 PolarHBondContact OE1-NH1 3.49Å; L28-R274 HydrophobicContact CD2-CG 4.01Å; T196-R274 WeakPolarHBondContact OG1-CA 3.47Å; T196-R274 WeakPolarHBondContact OG1-CB 3.43Å; T196-R274 WeakPolarHBondContact OG1-CG 3.41Å; F270-R274 PolarHBondContact O-N 3.3Å; L271-R274 PolarHBondContact O-N 2.99Å; W272-R274 PolarHBondContact O-N 3.12Å
275T90Very high91.1Very high44 Ų4466.8 Ų66.827%0.2732%0.319SS..Hα-helixtrans-79.9-27.7178.562.10000114.2L28 M31 L271 W272 I273L28-T275 HydrophobicContact CD2-CG2 3.27Å; L28-T275 HydrophobicContact CG-CG2 4.35Å; M31-T275 HydrophobicContact CB-CG2 3.92Å; M31-T275 HydrophobicContact CG-CG2 4.36Å; M31-T275 HydrophobicContact SD-CG2 3.51Å; M31-T275 VanDerWaalsContact SD-CG2 3.51Å; M31-T275 PolarHBondContact SD-OG1 3.43Å; L271-T275 PolarHBondContact O-N 3.38Å; W272-T275 PolarHBondContact O-N 3Å; W272-T275 PolarHBondContact O-OG1 3.2Å; I273-T275 VanDerWaalsContact C-N 3.26Å; I273-T275 PolarHBondContact O-N 3.41Å
276A91.5Very high90.9Very high55 Ų5562.9 Ų62.946%0.45530%0.299SS..Hα-helixtrans-88.2-35.5-168.100000112.9W272 I273W272-A276 PolarHBondContact O-N 2.66Å; W272-A276 VanDerWaalsContact O-N 3.11Å; I273-A276 PolarHBondContact O-N 3.36Å
277Y91.1Very high90.7Very high142 Ų14266.4 Ų66.456%0.55731%0.314SS*.  trans-110.1142.4-167.4-62.2-71.3000113.9I273I273-Y277 HydrophobicContact CB-CD2 4.32Å; I273-Y277 HydrophobicContact CB-CE2 4.5Å; I273-Y277 HydrophobicContact CG1-CE2 4.23Å; I273-Y277 HydrophobicContact CG2-CD2 3.78Å; I273-Y277 HydrophobicContact CG2-CE2 4.22Å; I273-Y277 WeakPolarHBondContact O-CD2 3.4Å; I273-Y277 PolarHBondContact O-N 3.11Å
278P89.6Confident90.6Very high105 Ų10567.9 Ų67.968%0.68232%0.322SS*.PPolyproline II helixtrans-70.5160.6169.331.8-34.6000111P197P197-P278 WeakPolarHBondContact CB-O 3.33Å
279R86.6Confident90.5Very high95 Ų9565.9 Ų65.936%0.35831%0.308SS..PPolyproline II helixtrans-68.2141175.2-58.6-177.4-163.1171.30.6110.5T196 P197 E204T196-R279 HydrophobicContact CG2-CG 4.31Å; P197-R279 WeakPolarHBondContact O-CA 3.18Å; E204-R279 IonicContact OE2-NH2 3.19Å
280F85.1Confident90.5Very high79 Ų7969.2 Ų69.235%0.34632%0.315SS..PPolyproline II helixtrans-76.6154170.3-78.6-76.3000111P197 F198 L200 Q284P197-F280 HydrophobicContact CB-CD2 3.65Å; P197-F280 HydrophobicContact CB-CE2 3.83Å; P197-F280 HydrophobicContact CG-CD2 3.88Å; P197-F280 HydrophobicContact CG-CE2 3.75Å; P197-F280 PolarHBondContact O-N 2.86Å; F198-F280 AromaticContact CD1-CD2 3.91Å; F198-F280 HydrophobicContact CD1-CD2 3.91Å; F198-F280 AromaticContact CE1-CD2 3.5Å; F198-F280 HydrophobicContact CE1-CD2 3.5Å; F198-F280 AromaticContact CE1-CE2 3.91Å; F198-F280 HydrophobicContact CE1-CE2 3.91Å; F198-F280 HydrophobicContact CE1-CG 4.26Å; F198-F280 HydrophobicContact CZ-CD2 4.15Å; F198-F280 HydrophobicContact CZ-CE2 4.13Å; L200-F280 WeakPolarHBondContact CD2-O 3.36Å; F280-Q284 HydrophobicContact CD1-CB 4.21Å
281R85.4Confident90.5Very high148 Ų14875.2 Ų75.256%0.55834%0.342SS*.PPolyproline II helixtrans-77.3148.2163.5-166.4169.576.5-150.10.9109.8D283 Q284 L285R281-D283 VanDerWaalsContact C-N 3.29Å; R281-D283 IonicContact CZ-OD2 2.75Å; R281-D283 IonicContact NE-OD2 3Å; R281-D283 PolarHBondContact NE-OD2 3.27Å; R281-D283 IonicContact NH2-OD2 3.16Å; R281-D283 PolarHBondContact NH2-OD2 3.22Å; R281-D283 VanDerWaalsContact NH2-OD2 3.16Å; R281-D283 PolarHBondContact O-N 3.18Å; R281-Q284 HydrophobicContact CB-CG 4.21Å; R281-Q284 WeakPolarHBondContact O-CB 2.99Å; R281-Q284 PolarHBondContact O-N 3.33Å; R281-L285 PolarHBondContact O-N 3.44Å
282Y84.7Confident90.6Very high66 Ų6679.5 Ų79.526%0.25937%0.365SS..Hα-helixtrans-49.8-44.6177.5177.3-94.7000113.6R134 A137 L200 Q284 L285 M286R134-Y282 HydrophobicContact CB-CD2 4.49Å; R134-Y282 HydrophobicContact CB-CE2 4.45Å; R134-Y282 HydrophobicContact CG-CD2 4.39Å; R134-Y282 HydrophobicContact CG-CE2 4.45Å; A137-Y282 HydrophobicContact CB-CE2 4.2Å; A137-Y282 WeakPolarHBondContact CB-OH 3.47Å; L200-Y282 HydrophobicContact CD1-CD2 3.76Å; L200-Y282 HydrophobicContact CD1-CG 4.29Å; Y282-Q284 VanDerWaalsContact C-N 3.31Å; Y282-Q284 PolarHBondContact O-N 3.05Å; Y282-L285 WeakPolarHBondContact O-CB 3.08Å; Y282-L285 PolarHBondContact O-N 3.39Å; Y282-M286 HydrophobicContact CD1-CG 4.43Å; Y282-M286 HydrophobicContact CD2-CE 4.4Å; Y282-M286 HydrophobicContact CE1-CE 4.48Å; Y282-M286 HydrophobicContact CE1-CG 3.97Å; Y282-M286 HydrophobicContact CE2-CE 3.48Å; Y282-M286 VanDerWaalsContact CE2-CE 3.48Å; Y282-M286 HydrophobicContact CE2-CG 4.37Å; Y282-M286 PolarHBondContact O-N 3.28Å; Y282-M286 WeakPolarHBondContact OH-CE 3.09Å
283D88.2Confident90.6Very high71 Ų7173.6 Ų73.638%0.3834%0.343SS..Hα-helixtrans-64.7-36.3179.3-38.5-37.5000112.5R281 L285 M286 H287R281-D283 VanDerWaalsContact C-N 3.29Å; R281-D283 IonicContact CZ-OD2 2.75Å; R281-D283 IonicContact NE-OD2 3Å; R281-D283 PolarHBondContact NE-OD2 3.27Å; R281-D283 IonicContact NH2-OD2 3.16Å; R281-D283 PolarHBondContact NH2-OD2 3.22Å; R281-D283 VanDerWaalsContact NH2-OD2 3.16Å; R281-D283 PolarHBondContact O-N 3.18Å; D283-L285 VanDerWaalsContact C-N 3.33Å; D283-M286 PolarHBondContact O-N 2.88Å; D283-H287 WeakPolarHBondContact O-CB 3.27Å; D283-H287 PolarHBondContact O-CD2 3.04Å; D283-H287 PolarHBondContact O-N 3.24Å
284Q90.8Very high90.6Very high96 Ų9674.2 Ų74.245%0.44935%0.346SS..Hα-helixtrans-68.9-38.4179.6-66.2174.2-24.700110.6F280 R281 Y282 H287 L288F280-Q284 HydrophobicContact CD1-CB 4.21Å; R281-Q284 HydrophobicContact CB-CG 4.21Å; R281-Q284 WeakPolarHBondContact O-CB 2.99Å; R281-Q284 PolarHBondContact O-N 3.33Å; Y282-Q284 VanDerWaalsContact C-N 3.31Å; Y282-Q284 PolarHBondContact O-N 3.05Å; Q284-H287 PolarHBondContact O-N 3.3Å; Q284-L288 WeakPolarHBondContact O-CB 3.43Å; Q284-L288 PolarHBondContact O-N 3.39Å
285L88.4Confident90.9Very high0 Ų073.9 Ų73.90%035%0.353CS..Hα-helixtrans-59.8-50.5173.1-173.3163.8000110.5Q138 Y142 F198 L200 R281 Y282 D283 H287 L288 L289Q138-L285 HydrophobicContact CG-CD1 4.08Å; Q138-L285 HydrophobicContact CG-CD2 4.44Å; Y142-L285 HydrophobicContact CE2-CD1 4.08Å; Y142-L285 HydrophobicContact CE2-CD2 3.63Å; Y142-L285 HydrophobicContact CE2-CG 4.22Å; Y142-L285 VanDerWaalsContact OH-CD1 3.25Å; Y142-L285 WeakPolarHBondContact OH-CD1 3.14Å; Y142-L285 WeakPolarHBondContact OH-CD2 3.48Å; Y142-L285 WeakPolarHBondContact OH-CG 3.23Å; F198-L285 HydrophobicContact CB-CD1 4.05Å; F198-L285 HydrophobicContact CD1-CD1 3.63Å; F198-L285 HydrophobicContact CD1-CG 3.95Å; F198-L285 HydrophobicContact CE1-CG 4.42Å; F198-L285 HydrophobicContact CG-CD1 4.24Å; L200-L285 HydrophobicContact CD1-CB 4.31Å; L200-L285 HydrophobicContact CD1-CD1 3.45Å; L200-L285 VanDerWaalsContact CD1-CD1 3.45Å; L200-L285 HydrophobicContact CD1-CG 4.44Å; L200-L285 HydrophobicContact CG-CD1 4.22Å; R281-L285 PolarHBondContact O-N 3.44Å; Y282-L285 WeakPolarHBondContact O-CB 3.08Å; Y282-L285 PolarHBondContact O-N 3.39Å; D283-L285 VanDerWaalsContact C-N 3.33Å; L285-H287 VanDerWaalsContact C-N 3.31Å; L285-H287 PolarHBondContact O-N 2.95Å; L285-L288 WeakPolarHBondContact O-CB 3.39Å; L285-L288 PolarHBondContact O-N 2.9Å; L285-L288 VanDerWaalsContact O-N 3.16Å; L285-L289 HydrophobicContact CD2-CD1 3.82Å; L285-L289 HydrophobicContact CD2-CG 4.49Å; L285-L289 PolarHBondContact O-N 3.49Å; L285-L289 VanDerWaalsContact O-N 3.08Å
286M90.6Very high91.2Very high28 Ų2875.9 Ų75.914%0.13836%0.362CS..Hα-helixtrans-62-39.1178.1-70.4-6216600111.9A137 Y282 D283 W290A137-M286 HydrophobicContact CB-CE 4.01Å; A137-M286 WeakPolarHBondContact O-CE 3.5Å; Y282-M286 HydrophobicContact CD1-CG 4.43Å; Y282-M286 HydrophobicContact CD2-CE 4.4Å; Y282-M286 HydrophobicContact CE1-CE 4.48Å; Y282-M286 HydrophobicContact CE1-CG 3.97Å; Y282-M286 HydrophobicContact CE2-CE 3.48Å; Y282-M286 VanDerWaalsContact CE2-CE 3.48Å; Y282-M286 HydrophobicContact CE2-CG 4.37Å; Y282-M286 PolarHBondContact O-N 3.28Å; Y282-M286 WeakPolarHBondContact OH-CE 3.09Å; D283-M286 PolarHBondContact O-N 2.88Å; M286-W290 WeakPolarHBondContact O-CB 3.45Å; M286-W290 VanDerWaalsContact O-CD1 3.25Å; M286-W290 PolarHBondContact O-N 3.4Å
287H93.2Very high91.5Very high95 Ų9573.2 Ų73.244%0.4434%0.34SS..Hα-helixtrans-65.1-40.9173.8-77.8-34.7000113.2D283 Q284 L285 L289 K291D283-H287 WeakPolarHBondContact O-CB 3.27Å; D283-H287 PolarHBondContact O-CD2 3.04Å; D283-H287 PolarHBondContact O-N 3.24Å; Q284-H287 PolarHBondContact O-N 3.3Å; L285-H287 VanDerWaalsContact C-N 3.31Å; L285-H287 PolarHBondContact O-N 2.95Å; H287-L289 VanDerWaalsContact C-N 3.35Å; H287-L289 PolarHBondContact O-N 3.21Å; H287-K291 PolarHBondContact CE1-NZ 2.89Å; H287-K291 VanDerWaalsContact CE1-NZ 3.32Å; H287-K291 WeakPolarHBondContact ND1-CE 3.42Å; H287-K291 WeakPolarHBondContact O-CA 3.4Å; H287-K291 VanDerWaalsContact O-CB 3.27Å; H287-K291 WeakPolarHBondContact O-CB 3.21Å; H287-K291 PolarHBondContact O-N 2.97Å
288L93.2Very high91.7Very high40 Ų4070.2 Ų70.221%0.20933%0.333CS..Iπ-helixtrans-57.6-49.9176.8-179.970000110.6I187 F198 Q284 L285 N292 F293I187-L288 HydrophobicContact CG2-CD2 4.47Å; F198-L288 HydrophobicContact CE1-CD2 4.05Å; F198-L288 HydrophobicContact CZ-CD2 4.03Å; Q284-L288 WeakPolarHBondContact O-CB 3.43Å; Q284-L288 PolarHBondContact O-N 3.39Å; L285-L288 WeakPolarHBondContact O-CB 3.39Å; L285-L288 PolarHBondContact O-N 2.9Å; L285-L288 VanDerWaalsContact O-N 3.16Å; L288-N292 HydrophobicContact CD1-CB 4.47Å; L288-N292 WeakPolarHBondContact O-CA 3.45Å; L288-N292 VanDerWaalsContact O-CB 3.24Å; L288-N292 WeakPolarHBondContact O-CB 3.19Å; L288-N292 PolarHBondContact O-N 3.16Å; L288-N292 VanDerWaalsContact O-N 3.15Å; L288-F293 HydrophobicContact CD1-CD1 4.42Å; L288-F293 HydrophobicContact CD1-CE1 3.93Å; L288-F293 HydrophobicContact CD1-CZ 4.17Å; L288-F293 HydrophobicContact CD2-CE2 4.29Å; L288-F293 HydrophobicContact CD2-CZ 4.11Å; L288-F293 HydrophobicContact CG-CE1 4.19Å; L288-F293 HydrophobicContact CG-CE2 4.33Å; L288-F293 HydrophobicContact CG-CZ 4.09Å; L288-F293 PolarHBondContact O-N 3.11Å
289L91.8Very high92.1Very high2 Ų268 Ų681%0.0132%0.324CS..Iπ-helixtrans-68-55.7-178.1-79.3173.9000113S141 Y142 T145 L285 H287 F293 L294S141-L289 WeakPolarHBondContact OG-CD1 3.1Å; Y142-L289 HydrophobicContact CD1-CD1 3.51Å; Y142-L289 HydrophobicContact CD1-CD2 3.18Å; Y142-L289 HydrophobicContact CD1-CG 3.75Å; Y142-L289 HydrophobicContact CD2-CD1 3.91Å; Y142-L289 HydrophobicContact CE1-CD1 3.34Å; Y142-L289 HydrophobicContact CE1-CD2 3.16Å; Y142-L289 HydrophobicContact CE1-CG 3.36Å; Y142-L289 HydrophobicContact CE2-CD1 3.75Å; Y142-L289 HydrophobicContact CG-CD1 3.76Å; Y142-L289 HydrophobicContact CG-CD2 4.16Å; Y142-L289 HydrophobicContact CG-CG 4.48Å; Y142-L289 VanDerWaalsContact CZ-CD1 3.42Å; T145-L289 HydrophobicContact CG2-CD2 4.05Å; L285-L289 HydrophobicContact CD2-CD1 3.82Å; L285-L289 HydrophobicContact CD2-CG 4.49Å; L285-L289 PolarHBondContact O-N 3.49Å; L285-L289 VanDerWaalsContact O-N 3.08Å; H287-L289 VanDerWaalsContact C-N 3.35Å; H287-L289 PolarHBondContact O-N 3.21Å; L289-F293 HydrophobicContact CD2-CB 4.5Å; L289-F293 HydrophobicContact CD2-CD2 3.81Å; L289-F293 PolarHBondContact O-N 3.16Å; L289-L294 WeakPolarHBondContact O-CB 3.4Å; L289-L294 PolarHBondContact O-N 3.35Å
290W94.6Very high92.5Very high134 Ų13464.7 Ų64.751%0.50831%0.313SS..Iπ-helixtrans-76.8-35.4-169.5-7497.5000112.9M286 L294M286-W290 WeakPolarHBondContact O-CB 3.45Å; M286-W290 VanDerWaalsContact O-CD1 3.25Å; M286-W290 PolarHBondContact O-N 3.4Å; W290-L294 HydrophobicContact CE3-CD1 4.24Å; W290-L294 HydrophobicContact CZ3-CD1 4.21Å
291K94.1Very high93.1Very high135 Ų13562.4 Ų62.459%0.58730%0.304SS*.Iπ-helixtrans-97.2-27.4-176.2-60.9-174.9174176.10113.5H287 P295H287-K291 PolarHBondContact CE1-NZ 2.89Å; H287-K291 VanDerWaalsContact CE1-NZ 3.32Å; H287-K291 WeakPolarHBondContact ND1-CE 3.42Å; H287-K291 WeakPolarHBondContact O-CA 3.4Å; H287-K291 VanDerWaalsContact O-CB 3.27Å; H287-K291 WeakPolarHBondContact O-CB 3.21Å; H287-K291 PolarHBondContact O-N 2.97Å; K291-P295 WeakPolarHBondContact O-CG 3.31Å
292N94.6Very high93.7Very high97 Ų9761.8 Ų61.852%0.51931%0.309SS..Iπ-helixtrans-106.1-57.2-178.2-54-18.1000111.7L288 L296L288-N292 HydrophobicContact CD1-CB 4.47Å; L288-N292 WeakPolarHBondContact O-CA 3.45Å; L288-N292 VanDerWaalsContact O-CB 3.24Å; L288-N292 WeakPolarHBondContact O-CB 3.19Å; L288-N292 PolarHBondContact O-N 3.16Å; L288-N292 VanDerWaalsContact O-N 3.15Å; N292-L296 WeakPolarHBondContact O-CB 3.41Å; N292-L296 PolarHBondContact O-N 3.12Å
293F94Very high94.2Very high18 Ų1865.2 Ų65.28%0.07932%0.322CS..Iπ-helixtrans-72.1-43.7-173.4-720.4000112.7T145 M184 I187 L288 L289 L296 T297T145-F293 HydrophobicContact CG2-CB 4.16Å; M184-F293 HydrophobicContact CG-CD1 4.28Å; M184-F293 HydrophobicContact CG-CE1 4.29Å; M184-F293 HydrophobicContact SD-CD1 4.3Å; I187-F293 HydrophobicContact CB-CE2 3.95Å; I187-F293 HydrophobicContact CB-CZ 3.96Å; I187-F293 HydrophobicContact CD1-CZ 3.81Å; I187-F293 HydrophobicContact CG1-CZ 4.5Å; I187-F293 HydrophobicContact CG2-CE2 3.66Å; I187-F293 HydrophobicContact CG2-CZ 3.72Å; L288-F293 HydrophobicContact CD1-CD1 4.42Å; L288-F293 HydrophobicContact CD1-CE1 3.93Å; L288-F293 HydrophobicContact CD1-CZ 4.17Å; L288-F293 HydrophobicContact CD2-CE2 4.29Å; L288-F293 HydrophobicContact CD2-CZ 4.11Å; L288-F293 HydrophobicContact CG-CE1 4.19Å; L288-F293 HydrophobicContact CG-CE2 4.33Å; L288-F293 HydrophobicContact CG-CZ 4.09Å; L288-F293 PolarHBondContact O-N 3.11Å; L289-F293 HydrophobicContact CD2-CB 4.5Å; L289-F293 HydrophobicContact CD2-CD2 3.81Å; L289-F293 PolarHBondContact O-N 3.16Å; F293-L296 PolarHBondContact O-N 3.32Å; F293-T297 WeakPolarHBondContact O-CB 3.23Å; F293-T297 VanDerWaalsContact O-CG2 3.24Å; F293-T297 WeakPolarHBondContact O-CG2 3.46Å; F293-T297 PolarHBondContact O-N 3.3Å; F293-T297 PolarHBondContact O-OG1 3.15Å
294L94.8Very high94.5Very high37 Ų3762.4 Ų62.419%0.19431%0.306CS..Hα-helixtrans-62.5-46.7-176.2-172.4129.2000113V144 T145 L289 W290 L296 T297 L298V144-L294 HydrophobicContact CG1-CD1 3.81Å; T145-L294 HydrophobicContact CG2-CB 4.46Å; L289-L294 WeakPolarHBondContact O-CB 3.4Å; L289-L294 PolarHBondContact O-N 3.35Å; W290-L294 HydrophobicContact CE3-CD1 4.24Å; W290-L294 HydrophobicContact CZ3-CD1 4.21Å; L294-L296 VanDerWaalsContact C-N 3.35Å; L294-L296 PolarHBondContact O-N 3.5Å; L294-T297 WeakPolarHBondContact CA-OG1 3.42Å; L294-T297 PolarHBondContact O-N 3.06Å; L294-T297 PolarHBondContact O-OG1 2.94Å; L294-L298 HydrophobicContact CD2-CD1 3.9Å; L294-L298 HydrophobicContact CG-CD1 4.3Å; L294-L298 WeakPolarHBondContact O-CB 3.11Å; L294-L298 WeakPolarHBondContact O-CG 3.37Å; L294-L298 PolarHBondContact O-N 3.38Å
295P96.8Very high94.8Very high65 Ų6561.1 Ų61.142%0.42230%0.304SS..Hα-helixtrans-62.5-40.3174.9-25.437.1000113.1K291 A299K291-P295 WeakPolarHBondContact O-CG 3.31Å; P295-A299 WeakPolarHBondContact O-CB 3.35Å; P295-A299 PolarHBondContact O-N 3.39Å
296L96.8Very high95.1Very high85 Ų8563.4 Ų63.445%0.44532%0.321SS..Hα-helixtrans-69.9-41.6-179-174.861.1000112.1M184 N292 F293 L294 A299 L300M184-L296 HydrophobicContact CE-CD2 4.29Å; M184-L296 HydrophobicContact CE-CG 4.22Å; M184-L296 HydrophobicContact SD-CB 4.19Å; M184-L296 HydrophobicContact SD-CD2 3.64Å; M184-L296 HydrophobicContact SD-CG 3.96Å; N292-L296 WeakPolarHBondContact O-CB 3.41Å; N292-L296 PolarHBondContact O-N 3.12Å; F293-L296 PolarHBondContact O-N 3.32Å; L294-L296 VanDerWaalsContact C-N 3.35Å; L294-L296 PolarHBondContact O-N 3.5Å; L296-A299 PolarHBondContact O-N 2.76Å; L296-L300 HydrophobicContact CD1-CD1 4.35Å; L296-L300 HydrophobicContact CG-CD1 4.04Å; L296-L300 WeakPolarHBondContact O-CB 3.38Å; L296-L300 WeakPolarHBondContact O-CG 3.38Å; L296-L300 PolarHBondContact O-N 3.35Å
297T96.2Very high95.3Very high0 Ų064.6 Ų64.60%033%0.327CS..Hα-helixtrans-65.3-38.2176.850.40000111.8I149 M184 F293 L294 L300 L301I149-T297 HydrophobicContact CD1-CG2 3.8Å; I149-T297 HydrophobicContact CG1-CG2 3.48Å; I149-T297 VanDerWaalsContact CG1-CG2 3.48Å; M184-T297 HydrophobicContact CE-CG2 3.55Å; M184-T297 HydrophobicContact SD-CG2 3.72Å; F293-T297 WeakPolarHBondContact O-CB 3.23Å; F293-T297 VanDerWaalsContact O-CG2 3.24Å; F293-T297 WeakPolarHBondContact O-CG2 3.46Å; F293-T297 PolarHBondContact O-N 3.3Å; F293-T297 PolarHBondContact O-OG1 3.15Å; L294-T297 WeakPolarHBondContact CA-OG1 3.42Å; L294-T297 PolarHBondContact O-N 3.06Å; L294-T297 PolarHBondContact O-OG1 2.94Å; T297-L300 PolarHBondContact O-N 2.84Å; T297-L301 WeakPolarHBondContact O-CB 3.4Å; T297-L301 PolarHBondContact O-N 2.97Å
298L96.6Very high95.3Very high78 Ų7860.8 Ų60.841%0.40831%0.31SS..Hα-helixtrans-65.4-43.8172.4-73.1171.3000112.3I148 L294 L300 L301 M302I148-L298 HydrophobicContact CD1-CD2 4.15Å; L294-L298 HydrophobicContact CD2-CD1 3.9Å; L294-L298 HydrophobicContact CG-CD1 4.3Å; L294-L298 WeakPolarHBondContact O-CB 3.11Å; L294-L298 WeakPolarHBondContact O-CG 3.37Å; L294-L298 PolarHBondContact O-N 3.38Å; L298-L300 VanDerWaalsContact C-N 3.31Å; L298-L300 PolarHBondContact O-N 3.43Å; L298-L301 WeakPolarHBondContact O-CB 3.23Å; L298-L301 PolarHBondContact O-N 3.27Å; L298-M302 WeakPolarHBondContact O-CG 3.37Å; L298-M302 PolarHBondContact O-N 3.34Å; L298-M302 VanDerWaalsContact O-N 3.1Å
299A97.1Very high95.4Very high60 Ų6064.1 Ų64.150%0.49633%0.327SS..Hα-helixtrans-61-42.317600000111.5P295 L296 M302 W303P295-A299 WeakPolarHBondContact O-CB 3.35Å; P295-A299 PolarHBondContact O-N 3.39Å; L296-A299 PolarHBondContact O-N 2.76Å; A299-M302 PolarHBondContact O-N 3.18Å; A299-W303 PolarHBondContact O-N 3.28Å; A299-W303 VanDerWaalsContact O-N 3.12Å
300L96.6Very high95.6Very high25 Ų2569 Ų6913%0.13136%0.357CS..Hα-helixtrans-68-38.1175.9-72165.8000111.8P180 L181 M184 L296 T297 L298 M302 W303 Y304P180-L300 HydrophobicContact CB-CD1 3.97Å; L181-L300 HydrophobicContact CD2-CB 3.91Å; L181-L300 HydrophobicContact CD2-CD1 3.77Å; L181-L300 HydrophobicContact CD2-CG 4.46Å; L181-L300 HydrophobicContact CG-CD1 4.21Å; M184-L300 HydrophobicContact CE-CD1 3.36Å; L296-L300 HydrophobicContact CD1-CD1 4.35Å; L296-L300 HydrophobicContact CG-CD1 4.04Å; L296-L300 WeakPolarHBondContact O-CB 3.38Å; L296-L300 WeakPolarHBondContact O-CG 3.38Å; L296-L300 PolarHBondContact O-N 3.35Å; T297-L300 PolarHBondContact O-N 2.84Å; L298-L300 VanDerWaalsContact C-N 3.31Å; L298-L300 PolarHBondContact O-N 3.43Å; L300-M302 VanDerWaalsContact C-N 3.3Å; L300-M302 PolarHBondContact O-N 3.28Å; L300-W303 CarbonylContact O-C 3.59Å; L300-W303 WeakPolarHBondContact O-CA 3.38Å; L300-W303 WeakPolarHBondContact O-CB 3.28Å; L300-W303 PolarHBondContact O-N 3.5Å; L300-Y304 HydrophobicContact CB-CD2 4.31Å; L300-Y304 HydrophobicContact CB-CE2 4.25Å; L300-Y304 HydrophobicContact CD2-CE2 4.2Å; L300-Y304 WeakPolarHBondContact O-CD2 3.06Å; L300-Y304 PolarHBondContact O-N 2.89Å
301L97Very high95.6Very high30 Ų3067.2 Ų67.216%0.15736%0.356CS..Hα-helixtrans-55.7-47.1173.2-178.171.7000110.9I148 L151 L155 T297 L298 W303 Y304 V305I148-L301 HydrophobicContact CG2-CB 4.16Å; I148-L301 HydrophobicContact CG2-CD2 4.28Å; L151-L301 HydrophobicContact CB-CD1 4.38Å; L151-L301 HydrophobicContact CD2-CD1 3.86Å; L151-L301 HydrophobicContact CD2-CD2 4.48Å; L151-L301 HydrophobicContact CG-CD1 4.01Å; L155-L301 HydrophobicContact CD1-CD1 4.3Å; T297-L301 WeakPolarHBondContact O-CB 3.4Å; T297-L301 PolarHBondContact O-N 2.97Å; L298-L301 WeakPolarHBondContact O-CB 3.23Å; L298-L301 PolarHBondContact O-N 3.27Å; L301-W303 VanDerWaalsContact C-N 3.26Å; L301-W303 PolarHBondContact O-N 3.36Å; L301-Y304 PolarHBondContact O-N 3.41Å; L301-V305 VanDerWaalsContact O-CG2 3.3Å; L301-V305 WeakPolarHBondContact O-CG2 3.49Å; L301-V305 PolarHBondContact O-N 3.33Å
302M96.9Very high95.6Very high135 Ų13566.2 Ų66.267%0.66537%0.367SS*.Hα-helixtrans-61.2-36.1176.8-65.1-59.6-67.200112.5L298 A299 L300 S306L298-M302 WeakPolarHBondContact O-CG 3.37Å; L298-M302 PolarHBondContact O-N 3.34Å; L298-M302 VanDerWaalsContact O-N 3.1Å; A299-M302 PolarHBondContact O-N 3.18Å; L300-M302 VanDerWaalsContact C-N 3.3Å; L300-M302 PolarHBondContact O-N 3.28Å; M302-S306 PolarHBondContact O-N 2.92Å; M302-S306 VanDerWaalsContact O-N 3.14Å; M302-S306 PolarHBondContact O-OG 3.07Å
303W96Very high95.5Very high138 Ų13864.7 Ų64.752%0.52336%0.363SS..Hα-helixtrans-65.6-49.7173.7178.5-101.9000112A299 L300 L301 V305 S306 M307A299-W303 PolarHBondContact O-N 3.28Å; A299-W303 VanDerWaalsContact O-N 3.12Å; L300-W303 CarbonylContact O-C 3.59Å; L300-W303 WeakPolarHBondContact O-CA 3.38Å; L300-W303 WeakPolarHBondContact O-CB 3.28Å; L300-W303 PolarHBondContact O-N 3.5Å; L301-W303 VanDerWaalsContact C-N 3.26Å; L301-W303 PolarHBondContact O-N 3.36Å; W303-V305 VanDerWaalsContact C-N 3.27Å; W303-V305 PolarHBondContact O-N 3.04Å; W303-S306 PolarHBondContact O-N 3.46Å; W303-S306 VanDerWaalsContact O-N 3.14Å; W303-S306 PolarHBondContact O-OG 3.49Å; W303-S306 VanDerWaalsContact O-OG 3.13Å; W303-M307 HydrophobicContact CD2-CG 3.55Å; W303-M307 HydrophobicContact CD2-SD 4.16Å; W303-M307 VanDerWaalsContact CE2-SD 3.57Å; W303-M307 HydrophobicContact CE3-CG 4.09Å; W303-M307 HydrophobicContact CE3-SD 4.36Å; W303-M307 HydrophobicContact CG-CG 3.94Å; W303-M307 HydrophobicContact CH2-CE 4.07Å; W303-M307 HydrophobicContact CH2-CG 4.2Å; W303-M307 HydrophobicContact CH2-SD 3.48Å; W303-M307 WeakPolarHBondContact CH2-SD 3.48Å; W303-M307 HydrophobicContact CZ2-CE 3.3Å; W303-M307 HydrophobicContact CZ2-CG 3.69Å; W303-M307 HydrophobicContact CZ2-SD 3.23Å; W303-M307 WeakPolarHBondContact CZ2-SD 3.27Å; W303-M307 HydrophobicContact CZ3-CG 4.38Å; W303-M307 HydrophobicContact CZ3-SD 4.05Å; W303-M307 WeakPolarHBondContact O-CB 3.3Å; W303-M307 VanDerWaalsContact O-CG 3.24Å; W303-M307 WeakPolarHBondContact O-CG 3.28Å; W303-M307 PolarHBondContact O-N 3.06Å
304Y95.2Very high95.5Very high13 Ų1369.5 Ų69.55%0.05139%0.389CS..Hα-helixtrans-70.6-20.1-179.8-74.1-74.8000113.8M156 P177 S178 L181 L300 L301 P308M156-Y304 HydrophobicContact CG-CD1 4.2Å; M156-Y304 HydrophobicContact SD-CD1 4.08Å; M156-Y304 HydrophobicContact SD-CE1 3.8Å; P177-Y304 PolarHBondContact O-OH 3.36Å; S178-Y304 VanDerWaalsContact CA-OH 3.23Å; S178-Y304 WeakPolarHBondContact CA-OH 3.11Å; L181-Y304 HydrophobicContact CD1-CD2 3.55Å; L181-Y304 HydrophobicContact CD1-CE1 4.5Å; L181-Y304 HydrophobicContact CD1-CE2 3.15Å; L181-Y304 HydrophobicContact CD1-CG 4.42Å; L181-Y304 HydrophobicContact CG-CD2 4.45Å; L181-Y304 HydrophobicContact CG-CE2 3.8Å; L300-Y304 HydrophobicContact CB-CD2 4.31Å; L300-Y304 HydrophobicContact CB-CE2 4.25Å; L300-Y304 HydrophobicContact CD2-CE2 4.2Å; L300-Y304 WeakPolarHBondContact O-CD2 3.06Å; L300-Y304 PolarHBondContact O-N 2.89Å; L301-Y304 PolarHBondContact O-N 3.41Å; Y304-P308 WeakPolarHBondContact O-CD 3.33Å; Y304-P308 VanDerWaalsContact O-CG 3.3Å; Y304-P308 WeakPolarHBondContact O-CG 3.36Å
305V96Very high95.4Very high68 Ų6869 Ų6941%0.41239%0.387SS..Hα-helixtrans-73.6-44.4167.8172.20000110.9L155 L301 W303 I309L155-V305 HydrophobicContact CD1-CB 4.39Å; L155-V305 HydrophobicContact CD1-CG2 3.5Å; L301-V305 VanDerWaalsContact O-CG2 3.3Å; L301-V305 WeakPolarHBondContact O-CG2 3.49Å; L301-V305 PolarHBondContact O-N 3.33Å; W303-V305 VanDerWaalsContact C-N 3.27Å; W303-V305 PolarHBondContact O-N 3.04Å; V305-I309 WeakPolarHBondContact O-CD1 3.34Å; V305-I309 WeakPolarHBondContact O-CG1 3.05Å
306S96.1Very high95.3Very high49 Ų4970.3 Ų70.334%0.34340%0.396SS..Hα-helixtrans-80.1-35.8-174.158.50000113.8M302 W303 I309 T310M302-S306 PolarHBondContact O-N 2.92Å; M302-S306 VanDerWaalsContact O-N 3.14Å; M302-S306 PolarHBondContact O-OG 3.07Å; W303-S306 PolarHBondContact O-N 3.46Å; W303-S306 VanDerWaalsContact O-N 3.14Å; W303-S306 PolarHBondContact O-OG 3.49Å; W303-S306 VanDerWaalsContact O-OG 3.13Å; S306-I309 PolarHBondContact O-N 3.19Å; S306-T310 WeakPolarHBondContact O-CG2 3.43Å; S306-T310 PolarHBondContact O-N 2.69Å; S306-T310 PolarHBondContact O-OG1 2.99Å
307M94.3Very high94.8Very high53 Ų5374.1 Ų74.126%0.26141%0.412SS..Hα-helixtrans-59.2-51.3-175.3-79.1-74.4-81.900114.2W303 I309 T310 I311W303-M307 HydrophobicContact CD2-CG 3.55Å; W303-M307 HydrophobicContact CD2-SD 4.16Å; W303-M307 VanDerWaalsContact CE2-SD 3.57Å; W303-M307 HydrophobicContact CE3-CG 4.09Å; W303-M307 HydrophobicContact CE3-SD 4.36Å; W303-M307 HydrophobicContact CG-CG 3.94Å; W303-M307 HydrophobicContact CH2-CE 4.07Å; W303-M307 HydrophobicContact CH2-CG 4.2Å; W303-M307 HydrophobicContact CH2-SD 3.48Å; W303-M307 WeakPolarHBondContact CH2-SD 3.48Å; W303-M307 HydrophobicContact CZ2-CE 3.3Å; W303-M307 HydrophobicContact CZ2-CG 3.69Å; W303-M307 HydrophobicContact CZ2-SD 3.23Å; W303-M307 WeakPolarHBondContact CZ2-SD 3.27Å; W303-M307 HydrophobicContact CZ3-CG 4.38Å; W303-M307 HydrophobicContact CZ3-SD 4.05Å; W303-M307 WeakPolarHBondContact O-CB 3.3Å; W303-M307 VanDerWaalsContact O-CG 3.24Å; W303-M307 WeakPolarHBondContact O-CG 3.28Å; W303-M307 PolarHBondContact O-N 3.06Å; M307-I309 PolarHBondContact O-N 3.29Å; M307-T310 PolarHBondContact O-N 3.41Å; M307-T310 PolarHBondContact O-OG1 3.23Å; M307-I311 HydrophobicContact CE-CD1 3.63Å; M307-I311 PolarHBondContact O-N 3.44Å; M307-I311 HydrophobicContact SD-CD1 3.96Å
308P93.3Very high94.2Very high14 Ų1482.6 Ų82.69%0.09146%0.464CS..Hα-helixtrans-59.7-34.3178.2-24.235000112.7Y304 S312 S313 I314Y304-P308 WeakPolarHBondContact O-CD 3.33Å; Y304-P308 VanDerWaalsContact O-CG 3.3Å; Y304-P308 WeakPolarHBondContact O-CG 3.36Å; P308-S312 CarbonylContact O-C 3.41Å; P308-S312 WeakPolarHBondContact O-CA 3.34Å; P308-S312 PolarHBondContact O-N 2.96Å; P308-S312 VanDerWaalsContact O-N 3.13Å; P308-S313 PolarHBondContact O-N 3.36Å; P308-I314 HydrophobicContact CB-CG1 4.17Å
309I95.6Very high94Very high111 Ų11182.8 Ų82.857%0.56947%0.466SS*.Hα-helixtrans-69.6-48.7178.3-57.3171.8000110.3V305 S306 M307 I311 S312 I314V305-I309 WeakPolarHBondContact O-CD1 3.34Å; V305-I309 WeakPolarHBondContact O-CG1 3.05Å; S306-I309 PolarHBondContact O-N 3.19Å; M307-I309 PolarHBondContact O-N 3.29Å; I309-I311 PolarHBondContact O-N 3.18Å; I309-S312 PolarHBondContact O-N 3.03Å; I309-I314 HydrophobicContact CG1-CD1 4.28Å
310T96Very high93.9Very high104 Ų10484 Ų8464%0.63847%0.465SS*.Hα-helixtrans-66.1-35.3-177.657.30000113.5S306 M307 S312S306-T310 WeakPolarHBondContact O-CG2 3.43Å; S306-T310 PolarHBondContact O-N 2.69Å; S306-T310 PolarHBondContact O-OG1 2.99Å; M307-T310 PolarHBondContact O-N 3.41Å; M307-T310 PolarHBondContact O-OG1 3.23Å; T310-S312 VanDerWaalsContact C-N 3.33Å
311I94.4Very high93.7Very high96 Ų9687.3 Ų87.349%0.49248%0.483SS..THydrogen-bonded Turntrans-91.50.6-179.1-58.9162.7000111.1M307 I309 S313M307-I311 HydrophobicContact CE-CD1 3.63Å; M307-I311 PolarHBondContact O-N 3.44Å; M307-I311 HydrophobicContact SD-CD1 3.96Å; I309-I311 PolarHBondContact O-N 3.18Å; I311-S313 PolarHBondContact O-N 3.31Å
312S93.5Very high93.5Very high115 Ų11590.6 Ų90.680%0.80450%0.502SS*.THydrogen-bonded Turntrans52.538.1-173.162.10000113.5P308 I309 T310P308-S312 CarbonylContact O-C 3.41Å; P308-S312 WeakPolarHBondContact O-CA 3.34Å; P308-S312 PolarHBondContact O-N 2.96Å; P308-S312 VanDerWaalsContact O-N 3.13Å; I309-S312 PolarHBondContact O-N 3.03Å; T310-S312 VanDerWaalsContact C-N 3.33Å
313S92.7Very high93.3Very high64 Ų6487.9 Ų87.945%0.44849%0.492SS..  trans-113.435.2-177.354.10000112.4P308 I311 P315P308-S313 PolarHBondContact O-N 3.36Å; I311-S313 PolarHBondContact O-N 3.31Å; S313-P315 WeakPolarHBondContact O-CD 3.1Å
314I93.8Very high93.2Very high119 Ų11984.5 Ų84.561%0.6149%0.49SS*.PPolyproline II helixtrans-65.1121.9176.5-58.7174.7000108.4P308 I309P308-I314 HydrophobicContact CB-CG1 4.17Å; I309-I314 HydrophobicContact CG1-CD1 4.28Å
315P93.2Very high93Very high26 Ų2689.6 Ų89.617%0.16952%0.522CS..PPolyproline II helixtrans-68.6153.2179.729.7-37.3000111.6L155 M156 G158 S313L155-P315 WeakPolarHBondContact O-CD 3.17Å; L155-P315 WeakPolarHBondContact O-CG 3.22Å; M156-P315 WeakPolarHBondContact O-CB 3.48Å; M156-P315 WeakPolarHBondContact O-CG 3.3Å; G158-P315 VanDerWaalsContact N-CG 3.29Å; S313-P315 WeakPolarHBondContact O-CD 3.1Å
316P93.4Very high92.8Very high93 Ų9391.3 Ų91.360%0.60453%0.53SS*.PPolyproline II helixtrans-67.4150.6175.730.4-35.2000111.1
317Q87.8Confident92.5Very high166 Ų16694.8 Ų94.878%0.77655%0.546SS*.  trans-78.7-23.6174.7-168.3176.95.900112.5
318T82.1Confident92.3Very high177 Ų17798.6 Ų98.6100%1.08657%0.572SS**  trans-122.20-174.556.40000111.5

Retrieved 318 of 318 residues in 482.4 ms (Link to these results)

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