A0A077ZCE6_TRITR Loading...

DUF328 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCE6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 257 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
1M94.8Very high97.5Very high0 Ų026.3 Ų26.30%015%0.145CC..  0125.90175.3-172.5-67.400106.9H107 Q162 D164 V166 I168 I219 K226 L230M1-H107 WeakPolarHBondContact O-CB 3.34Å; M1-H107 PolarHBondContact O-ND1 2.93Å; M1-H107 VanDerWaalsContact O-ND1 3.09Å; M1-Q162 PolarHBondContact O-OE1 3.21Å; M1-D164 WeakPolarHBondContact CA-OD1 3.39Å; M1-D164 PolarHBondContact N-OD1 3.26Å; M1-D164 PolarHBondContact N-OD2 2.83Å; M1-V166 CarbonylContact C-O 3.39Å; M1-V166 HydrophobicContact CE-CG1 4.43Å; M1-V166 HydrophobicContact CG-CB 4.43Å; M1-V166 HydrophobicContact CG-CG1 3.97Å; M1-I168 HydrophobicContact CE-CD1 4.2Å; M1-I168 HydrophobicContact CE-CG1 4.39Å; M1-I168 HydrophobicContact CG-CD1 3.91Å; M1-I168 HydrophobicContact CG-CG1 3.41Å; M1-I168 VanDerWaalsContact CG-CG1 3.41Å; M1-I168 HydrophobicContact SD-CD1 3.78Å; M1-I168 HydrophobicContact SD-CG1 3.32Å; M1-I168 WeakPolarHBondContact SD-CG1 3.38Å; M1-I219 HydrophobicContact SD-CD1 4.18Å; M1-I219 HydrophobicContact SD-CG1 4.44Å; M1-I219 HydrophobicContact SD-CG2 4.05Å; M1-K226 WeakPolarHBondContact CE-O 3.39Å; M1-L230 HydrophobicContact CE-CD1 4.44Å; M1-L230 HydrophobicContact CE-CD2 4.41Å; M1-L230 HydrophobicContact CE-CG 4.37Å; M1-L230 HydrophobicContact SD-CD2 4.17Å
2L98.2Very high97.5Very high0 Ų025.9 Ų25.90%014%0.143CC..EExtended strand (participates in β ladder)trans-104.7118.8-178.1-170.566.3000111.2L4 H107 R109 L155 A158 L159 V166 V167 I168L2-L4 HydrophobicContact CD2-CD2 4.42Å; L2-L4 HydrophobicContact CG-CD2 4.39Å; L2-H107 CarbonylContact C-O 3.59Å; L2-H107 WeakPolarHBondContact CA-O 3.4Å; L2-R109 HydrophobicContact CD1-CG 3.89Å; L2-R109 HydrophobicContact CD2-CG 4.35Å; L2-R109 HydrophobicContact CG-CG 4.34Å; L2-L155 HydrophobicContact CD2-CD2 3.99Å; L2-A158 HydrophobicContact CD2-CB 4.08Å; L2-L159 HydrophobicContact CB-CD2 3.86Å; L2-L159 HydrophobicContact CD2-CD2 4.07Å; L2-L159 HydrophobicContact CD2-CG 4.02Å; L2-V166 PolarHBondContact N-O 3.31Å; L2-V167 HydrophobicContact CB-CG2 4.37Å; L2-V167 CarbonylContact O-C 3.52Å; L2-V167 VanDerWaalsContact O-CA 3.27Å; L2-V167 WeakPolarHBondContact O-CA 3.49Å; L2-I168 PolarHBondContact O-N 2.93Å
3I98.4Very high97.5Very high0 Ų029 Ų290%015%0.152CC..EExtended strand (participates in β ladder)trans-89.6131.4179.9-50.5165.9000109.2I5 H107 L108 R109 L170 I219 I220I3-I5 HydrophobicContact CG2-CG2 4.22Å; I3-H107 PolarHBondContact N-O 3.26Å; I3-L108 HydrophobicContact CB-CD1 3.62Å; I3-L108 HydrophobicContact CD1-CD1 4.47Å; I3-L108 HydrophobicContact CG2-CD1 3.57Å; I3-L108 CarbonylContact O-C 3.51Å; I3-R109 PolarHBondContact O-N 3.16Å; I3-L170 HydrophobicContact CG2-CD1 3.7Å; I3-L170 HydrophobicContact CG2-CG 4.41Å; I3-I219 HydrophobicContact CD1-CB 3.78Å; I3-I219 HydrophobicContact CD1-CD1 3.98Å; I3-I219 HydrophobicContact CD1-CG2 3.57Å; I3-I219 HydrophobicContact CG1-CD1 3.99Å; I3-I219 HydrophobicContact CG1-CG2 4.1Å; I3-I220 HydrophobicContact CD1-CG1 4.18Å
4L98.8Very high97.4Very high0 Ų039.9 Ų39.90%020%0.202CC..EExtended strand (participates in β ladder)trans-111.5124.9171.9-53.4-176.5000110.2L2 R109 L155 V167 I168 L170 A171 F176L2-L4 HydrophobicContact CD2-CD2 4.42Å; L2-L4 HydrophobicContact CG-CD2 4.39Å; L4-R109 WeakPolarHBondContact CA-O 3.43Å; L4-R109 HydrophobicContact CD2-CB 3.81Å; L4-R109 HydrophobicContact CD2-CG 4.47Å; L4-L155 HydrophobicContact CD1-CD1 3.9Å; L4-L155 HydrophobicContact CD2-CD1 4.13Å; L4-L155 HydrophobicContact CD2-CD2 3.58Å; L4-V167 HydrophobicContact CD1-CG1 3.61Å; L4-V167 HydrophobicContact CG-CG1 3.81Å; L4-I168 PolarHBondContact N-O 3.03Å; L4-L170 CarbonylContact O-C 3.56Å; L4-L170 VanDerWaalsContact O-C 3.23Å; L4-L170 VanDerWaalsContact O-CA 3.27Å; L4-L170 WeakPolarHBondContact O-CA 3.37Å; L4-L170 WeakPolarHBondContact O-CB 3.19Å; L4-L170 PolarHBondContact O-N 3.22Å; L4-A171 PolarHBondContact O-N 2.9Å; L4-F176 HydrophobicContact CD1-CD2 4.09Å; L4-F176 HydrophobicContact CD1-CE2 3.86Å
5I98.7Very high97.3Very high0 Ų041.3 Ų41.30%022%0.216CC..EExtended strand (participates in β ladder)trans-122.5159.417261.2174.8000111.5I3 V87 Y88 L91 L108 R109 M110 L111 L170 S216I3-I5 HydrophobicContact CG2-CG2 4.22Å; I5-V87 HydrophobicContact CB-CG1 4.45Å; I5-V87 HydrophobicContact CD1-CG1 4.47Å; I5-V87 HydrophobicContact CG2-CG1 4.42Å; I5-Y88 HydrophobicContact CD1-CE1 4.08Å; I5-L91 HydrophobicContact CD1-CD2 4.45Å; I5-L108 HydrophobicContact CD1-CD1 4.01Å; I5-L108 HydrophobicContact CD1-CD2 4.18Å; I5-L108 HydrophobicContact CD1-CG 4.48Å; I5-L108 HydrophobicContact CG1-CD1 3.95Å; I5-L108 HydrophobicContact CG2-CD1 4.17Å; I5-R109 PolarHBondContact N-O 2.98Å; I5-M110 HydrophobicContact CD1-CG 3.73Å; I5-M110 HydrophobicContact CG1-CB 4.39Å; I5-M110 HydrophobicContact CG1-CG 3.63Å; I5-L111 PolarHBondContact O-N 3.14Å; I5-L170 HydrophobicContact CG2-CB 3.93Å; I5-S216 WeakPolarHBondContact CG2-OG 3.34Å
6S98.3Very high97.3Very high11 Ų1146.5 Ų46.58%0.07725%0.254CS..  trans-81.2154.5171.8-71.50000110.9Y88 S172 Y175S6-Y88 PolarHBondContact O-OH 3.46Å; S6-Y88 VanDerWaalsContact O-OH 3.14Å; S6-S172 PolarHBondContact OG-N 3.25Å; S6-S172 PolarHBondContact OG-OG 3.43Å; S6-Y175 WeakPolarHBondContact OG-CD2 3.47Å
7P98.2Very high97.2Very high15 Ų1548.3 Ų48.310%0.09726%0.262CS..  trans-72.8172.1170.935.5-30000109.7F83 Y88 L111 Y175P7-F83 HydrophobicContact CB-CD1 4.05Å; P7-F83 HydrophobicContact CB-CE1 3.39Å; P7-F83 HydrophobicContact CB-CE2 4.01Å; P7-F83 HydrophobicContact CB-CZ 3.37Å; P7-Y88 WeakPolarHBondContact CA-OH 3.48Å; P7-L111 WeakPolarHBondContact CD-O 3.42Å; P7-L111 VanDerWaalsContact CG-O 3.26Å; P7-L111 WeakPolarHBondContact CG-O 3.39Å; P7-Y175 VanDerWaalsContact CD-CD1 3.44Å; P7-Y175 HydrophobicContact CG-CD1 3.92Å; P7-Y175 HydrophobicContact CG-CE1 3.19Å; P7-Y175 HydrophobicContact CG-CE2 4.02Å; P7-Y175 VanDerWaalsContact CG-OH 3.32Å; P7-Y175 WeakPolarHBondContact CG-OH 3.12Å
8A97.4Very high97.1Very high23 Ų2348.6 Ų48.619%0.1927%0.266CS..  trans-113.3157.517200000112.4F83 K84 Y88A8-F83 HydrophobicContact CB-CB 4.23Å; A8-F83 HydrophobicContact CB-CD1 4.3Å; A8-F83 VanDerWaalsContact N-CD1 3.32Å; A8-F83 WeakPolarHBondContact O-CD1 3.41Å; A8-K84 WeakPolarHBondContact CB-O 3.4Å; A8-Y88 HydrophobicContact CB-CD2 3.72Å; A8-Y88 HydrophobicContact CB-CE2 3.69Å
9K95.4Very high97.1Very high117 Ų11746.3 Ų46.351%0.50925%0.254SS..SBendtrans-79.5-28.6179-59.5-174.1-174.6-155.50112.4E130K9-E130 VanDerWaalsContact CE-CD 3.43Å; K9-E130 WeakPolarHBondContact CE-OE1 3.13Å; K9-E130 WeakPolarHBondContact CE-OE2 3.39Å; K9-E130 IonicContact NZ-OE1 3.79Å; K9-E130 PolarHBondContact NZ-OE1 3.19Å; K9-E130 IonicContact NZ-OE2 2.69Å; K9-E130 PolarHBondContact NZ-OE2 3.09Å
10T96.6Very high97.1Very high90 Ų9050 Ų5055%0.55228%0.278SS*.EExtended strand (participates in β ladder)trans-89.4135.1176.6-54.10000108.7K84T10-K84 WeakPolarHBondContact CB-O 3.2Å; T10-K84 HydrophobicContact CG2-CB 4.11Å; T10-K84 PolarHBondContact O-N 2.91Å; T10-K84 VanDerWaalsContact O-O 3.08Å
11L97.9Very high97.2Very high33 Ų3351.6 Ų51.617%0.17328%0.28CS..EExtended strand (participates in β ladder)trans-126.7149.2-180-53176.8000110Y13 A82 F83 M124 P126L11-Y13 HydrophobicContact CB-CD2 4.19Å; L11-Y13 HydrophobicContact CB-CE2 3.71Å; L11-Y13 HydrophobicContact CD1-CE2 4.02Å; L11-Y13 HydrophobicContact CG-CE2 4.44Å; L11-A82 CarbonylContact C-O 3.6Å; L11-A82 WeakPolarHBondContact CA-O 3.48Å; L11-F83 HydrophobicContact CD2-CD1 3.37Å; L11-F83 HydrophobicContact CD2-CE1 3.71Å; L11-F83 HydrophobicContact CD2-CG 4.31Å; L11-M124 HydrophobicContact CD2-CE 3.75Å; L11-P126 HydrophobicContact CD1-CB 4.09Å
12D97.7Very high97.4Very high22 Ų2257 Ų5712%0.11830%0.301CS..  trans-131119.6177.7164.628.4000109.9Q14 S15 R77 A82 K84D12-Q14 PolarHBondContact OD1-N 3.05Å; D12-S15 PolarHBondContact OD1-N 2.96Å; D12-S15 WeakPolarHBondContact OD2-CB 3.48Å; D12-S15 PolarHBondContact OD2-OG 3.34Å; D12-S15 VanDerWaalsContact OD2-OG 3.05Å; D12-R77 WeakPolarHBondContact O-CD 3.42Å; D12-R77 PolarHBondContact O-NE 3.14Å; D12-R77 PolarHBondContact O-NH1 3.31Å; D12-R77 VanDerWaalsContact O-NH1 3.07Å; D12-R77 IonicContact OD1-NH1 3.13Å; D12-R77 IonicContact OD2-NH1 2.94Å; D12-R77 PolarHBondContact OD2-NH1 2.92Å; D12-A82 PolarHBondContact N-O 3.04Å; D12-A82 WeakPolarHBondContact O-CA 3.46Å; D12-K84 HydrophobicContact CB-CD 4.2Å; D12-K84 HydrophobicContact CB-CG 3.55Å; D12-K84 WeakPolarHBondContact OD2-CE 3.45Å; D12-K84 IonicContact OD2-NZ 3.04Å
13Y97Very high97.4Very high66 Ų6658.8 Ų58.826%0.25931%0.312SS..SBendtrans-115.710.6178.1-73.2-96.5000112.1L11 R77 M124 Q125 P126L11-Y13 HydrophobicContact CB-CD2 4.19Å; L11-Y13 HydrophobicContact CB-CE2 3.71Å; L11-Y13 HydrophobicContact CD1-CE2 4.02Å; L11-Y13 HydrophobicContact CG-CE2 4.44Å; Y13-R77 VanDerWaalsContact C-CZ 3.44Å; Y13-R77 VanDerWaalsContact C-NH2 3.27Å; Y13-R77 HydrophobicContact CD1-CB 3.71Å; Y13-R77 HydrophobicContact CE1-CB 3.7Å; Y13-R77 PolarHBondContact O-NH2 3.13Å; Y13-M124 WeakPolarHBondContact CE1-O 3.04Å; Y13-M124 PolarHBondContact OH-O 2.87Å; Y13-Q125 PolarHBondContact OH-O 2.84Å; Y13-P126 HydrophobicContact CD2-CB 4.36Å; Y13-P126 HydrophobicContact CE2-CB 3.66Å; Y13-P126 HydrophobicContact CE2-CG 4.34Å; Y13-P126 WeakPolarHBondContact OH-CA 3.28Å; Y13-P126 VanDerWaalsContact OH-N 3.1Å
14Q96.4Very high97.4Very high182 Ų18262.9 Ų62.985%0.8533%0.333SS*.SBendtrans-117.9-38.8-169.3-66.2-179-3200113.4D12D12-Q14 PolarHBondContact OD1-N 3.05Å
15S96.5Very high97.4Very high60 Ų6063.2 Ų63.242%0.4234%0.336SS..SBendtrans-61.2150.6-175.9-64.10000112.5D12 R77D12-S15 PolarHBondContact OD1-N 2.96Å; D12-S15 WeakPolarHBondContact OD2-CB 3.48Å; D12-S15 PolarHBondContact OD2-OG 3.34Å; D12-S15 VanDerWaalsContact OD2-OG 3.05Å; S15-R77 PolarHBondContact O-NH1 2.85Å; S15-R77 PolarHBondContact O-NH2 2.82Å
16P96Very high97.4Very high125 Ų12567.7 Ų67.781%0.81236%0.356SS*.PPolyproline II helixtrans-52.4142.5178.1-2735.4000112.9
17L95.8Very high97.4Very high77 Ų7767.5 Ų67.540%0.40336%0.355SS..PPolyproline II helixtrans-83.5131.3177.5-63.6175.1000110.3T19 R77 L81L17-T19 VanDerWaalsContact C-N 3.31Å; L17-R77 HydrophobicContact CD2-CG 4.13Å; L17-L81 HydrophobicContact CD2-CD1 3.96Å
18T95.8Very high97.4Very high54 Ų5467.9 Ų67.933%0.33136%0.356SS..SBendtrans-77.4-19172.4-47.60000112.3E94 F96 F101T18-E94 VanDerWaalsContact CG2-O 3.3Å; T18-E94 WeakPolarHBondContact CG2-O 3.26Å; T18-E94 WeakPolarHBondContact OG1-CA 3.21Å; T18-E94 PolarHBondContact OG1-O 3.42Å; T18-F96 WeakPolarHBondContact CG2-O 3.24Å; T18-F101 HydrophobicContact CG2-CE2 4.06Å; T18-F101 HydrophobicContact CG2-CZ 4.47Å
19T98Very high97.5Very high5 Ų572.5 Ų72.53%0.03138%0.377CS..  trans-146.1148.2173.4-169.70000110.7L17 R21 Q78 L81 E98 F101 L121L17-T19 VanDerWaalsContact C-N 3.31Å; T19-R21 PolarHBondContact OG1-N 3Å; T19-Q78 PolarHBondContact O-NE2 3.09Å; T19-L81 HydrophobicContact CG2-CD1 4.32Å; T19-E98 VanDerWaalsContact CB-OE1 3.27Å; T19-E98 WeakPolarHBondContact CB-OE1 3.07Å; T19-E98 PolarHBondContact OG1-OE1 2.77Å; T19-E98 PolarHBondContact OG1-OE2 2.93Å; T19-F101 HydrophobicContact CG2-CD1 4.3Å; T19-F101 HydrophobicContact CG2-CD2 3.88Å; T19-F101 HydrophobicContact CG2-CE1 4.17Å; T19-F101 HydrophobicContact CG2-CE2 3.74Å; T19-F101 HydrophobicContact CG2-CG 4.17Å; T19-F101 HydrophobicContact CG2-CZ 3.9Å; T19-L121 HydrophobicContact CG2-CD2 3.99Å
20T97.1Very high97.6Very high119 Ų11968 Ų6873%0.7336%0.359SS*.  trans-96.7-8.417557.30000112.8
21R98.4Very high97.7Very high85 Ų8563.7 Ų63.732%0.32133%0.332SS..  trans-67.6141.3178.2-61.5-173.7-61.1130.2-10.6110.4T19 Q78 E98 F101 D102 L121T19-R21 PolarHBondContact OG1-N 3Å; R21-Q78 WeakPolarHBondContact O-CG 3.35Å; R21-Q78 PolarHBondContact O-NE2 3.34Å; R21-E98 IonicContact CZ-OE2 3.55Å; R21-E98 IonicContact NE-OE2 2.91Å; R21-E98 PolarHBondContact NE-OE2 3.06Å; R21-E98 PolarHBondContact NH2-O 3.14Å; R21-E98 IonicContact NH2-OE2 2.86Å; R21-E98 PolarHBondContact NH2-OE2 2.81Å; R21-F101 VanDerWaalsContact NH2-CB 3.35Å; R21-D102 IonicContact CZ-OD1 3.78Å; R21-D102 IonicContact NH1-OD1 3.34Å; R21-D102 PolarHBondContact NH1-OD1 3.1Å; R21-D102 IonicContact NH2-OD1 3.23Å; R21-D102 PolarHBondContact NH2-OD1 2.68Å; R21-L121 HydrophobicContact CB-CD1 4.26Å
22Y98.6Very high97.7Very high112 Ų11266.5 Ų66.544%0.43935%0.345SS..  trans-148.2161.8177.469.6-92.3000111.5L24 P73 L121 L123Y22-L24 HydrophobicContact CD2-CD2 4.49Å; Y22-L24 HydrophobicContact CE2-CD2 4.38Å; Y22-P73 HydrophobicContact CD1-CG 4.03Å; Y22-P73 HydrophobicContact CE1-CG 3.67Å; Y22-L121 CarbonylContact C-O 3.53Å; Y22-L121 WeakPolarHBondContact CA-O 3.41Å; Y22-L123 HydrophobicContact CD2-CD1 3.5Å; Y22-L123 HydrophobicContact CD2-CD2 4.38Å; Y22-L123 HydrophobicContact CD2-CG 3.68Å; Y22-L123 HydrophobicContact CE2-CD1 3.85Å; Y22-L123 HydrophobicContact CG-CD1 3.93Å; Y22-L123 HydrophobicContact CG-CD2 4.09Å; Y22-L123 HydrophobicContact CG-CG 3.91Å
23T98.8Very high97.8Very high39 Ų3969.1 Ų69.124%0.23936%0.356CS..BIsolated β-bridgetrans-126.9173.6167.351.90000109.2Q105 L121 D122 L123T23-Q105 PolarHBondContact OG1-NE2 3.18Å; T23-L121 PolarHBondContact N-O 3.04Å; T23-L121 VanDerWaalsContact OG1-C 3.31Å; T23-L121 PolarHBondContact OG1-O 3.1Å; T23-D122 WeakPolarHBondContact CB-OD1 3.17Å; T23-D122 CarbonylContact O-C 3.46Å; T23-D122 VanDerWaalsContact O-CA 3.31Å; T23-D122 WeakPolarHBondContact O-CA 3.42Å; T23-D122 WeakPolarHBondContact OG1-CA 3.35Å; T23-D122 PolarHBondContact OG1-N 2.86Å; T23-D122 PolarHBondContact OG1-OD1 3.21Å; T23-L123 PolarHBondContact O-N 3.29Å
24L98.5Very high97.8Very high85 Ų8566 Ų6645%0.44534%0.344SS..  trans-106.8144.5175.5-62.2178.8000110.2Y22 E26 F71 R119 D122 L123Y22-L24 HydrophobicContact CD2-CD2 4.49Å; Y22-L24 HydrophobicContact CE2-CD2 4.38Å; L24-E26 PolarHBondContact O-N 3.4Å; L24-F71 HydrophobicContact CD2-CB 3.95Å; L24-R119 PolarHBondContact O-NH2 3.26Å; L24-D122 VanDerWaalsContact O-OD1 3.1Å; L24-L123 HydrophobicContact CD2-CB 4.49Å; L24-L123 HydrophobicContact CD2-CD1 4.24Å
25P98.6Very high97.9Very high8 Ų857.4 Ų57.45%0.05230%0.304CS..  trans-57.7137.9174.4-21.130.3000111.9L27 L28 F71 L118 D122 L123P25-L27 VanDerWaalsContact C-N 3.26Å; P25-L27 PolarHBondContact O-N 3.19Å; P25-L28 HydrophobicContact CB-CD2 3.97Å; P25-L28 HydrophobicContact CB-CG 4.01Å; P25-L28 HydrophobicContact CG-CD2 3.95Å; P25-L28 HydrophobicContact CG-CG 4.31Å; P25-F71 HydrophobicContact CG-CD2 4.24Å; P25-F71 HydrophobicContact CG-CE2 4Å; P25-L118 HydrophobicContact CB-CD2 3.79Å; P25-L118 HydrophobicContact CG-CD2 3.77Å; P25-D122 HydrophobicContact CG-CB 4.15Å; P25-L123 VanDerWaalsContact CD-O 3.27Å; P25-L123 WeakPolarHBondContact CD-O 3.08Å; P25-L123 WeakPolarHBondContact CG-O 3.41Å
26E98.4Very high98Very high93 Ų9359.7 Ų59.744%0.43531%0.307SS..THydrogen-bonded Turntrans-82.3-4.6-175.3-59.3177.5131.300113.3L24 R119L24-E26 PolarHBondContact O-N 3.4Å; E26-R119 IonicContact OE1-CZ 2.64Å; E26-R119 IonicContact OE1-NH1 3.23Å; E26-R119 PolarHBondContact OE1-NH1 2.95Å
27L98.6Very high98.1Very high8 Ų855.9 Ų55.94%0.04228%0.279CS..THydrogen-bonded Turntrans-124.428.6-172.8-61.4176.4000112.7P25 D29 N30 S31 V117 W147 I150 K154P25-L27 VanDerWaalsContact C-N 3.26Å; P25-L27 PolarHBondContact O-N 3.19Å; L27-D29 VanDerWaalsContact C-N 3.34Å; L27-D29 PolarHBondContact O-N 2.86Å; L27-N30 WeakPolarHBondContact O-CB 3.23Å; L27-N30 PolarHBondContact O-N 3.05Å; L27-N30 VanDerWaalsContact O-N 3.16Å; L27-S31 PolarHBondContact O-N 2.93Å; L27-S31 PolarHBondContact O-OG 3.28Å; L27-V117 HydrophobicContact CD1-CG1 3.92Å; L27-W147 HydrophobicContact CB-CH2 4.38Å; L27-W147 HydrophobicContact CB-CZ3 4.22Å; L27-W147 HydrophobicContact CD1-CZ3 3.89Å; L27-I150 HydrophobicContact CD1-CG2 3.97Å; L27-I150 HydrophobicContact CD2-CG2 3.57Å; L27-I150 HydrophobicContact CG-CG2 4.43Å; L27-K154 HydrophobicContact CD1-CG 4.26Å; L27-K154 HydrophobicContact CD2-CD 4.43Å; L27-K154 HydrophobicContact CD2-CG 4.04Å; L27-K154 HydrophobicContact CG-CG 4.4Å
28L98.3Very high98.3Very high23 Ų2352.2 Ų52.212%0.1226%0.26CS..Hα-helixtrans-60.7-37.3-178.7-73.8178.2000113.3P25 N30 S31 Q32 W67 F71 Y115P25-L28 HydrophobicContact CB-CD2 3.97Å; P25-L28 HydrophobicContact CB-CG 4.01Å; P25-L28 HydrophobicContact CG-CD2 3.95Å; P25-L28 HydrophobicContact CG-CG 4.31Å; L28-N30 PolarHBondContact O-N 3.3Å; L28-S31 CarbonylContact O-C 3.59Å; L28-S31 WeakPolarHBondContact O-CA 3.39Å; L28-S31 WeakPolarHBondContact O-CB 3.34Å; L28-S31 PolarHBondContact O-N 3.1Å; L28-Q32 WeakPolarHBondContact O-CB 3.46Å; L28-Q32 PolarHBondContact O-N 2.99Å; L28-W67 HydrophobicContact CD2-CH2 4.26Å; L28-W67 HydrophobicContact CD2-CZ2 3.87Å; L28-F71 HydrophobicContact CD2-CD2 4.49Å; L28-F71 HydrophobicContact CD2-CE1 4.33Å; L28-F71 HydrophobicContact CD2-CE2 3.9Å; L28-F71 HydrophobicContact CD2-CZ 3.85Å; L28-Y115 HydrophobicContact CD2-CD1 4.36Å; L28-Y115 HydrophobicContact CD2-CE1 4.28Å
29D98.3Very high98.4Very high120 Ų12055.3 Ų55.364%0.64227%0.265SS*.Hα-helixtrans-60.2-35.5176.4-64.5-10000112.5L27 Q33L27-D29 VanDerWaalsContact C-N 3.34Å; L27-D29 PolarHBondContact O-N 2.86Å; D29-Q33 WeakPolarHBondContact O-CG 3.4Å; D29-Q33 PolarHBondContact O-N 2.91Å; D29-Q33 PolarHBondContact O-NE2 3.37Å
30N98.6Very high98.4Very high22 Ų2260.6 Ų60.612%0.11829%0.288CS..Hα-helixtrans-73.8-40.8174.2-63.9-76.4000110.5L27 L28 Q32 Q33 L34 R139 F146 W147L27-N30 WeakPolarHBondContact O-CB 3.23Å; L27-N30 PolarHBondContact O-N 3.05Å; L27-N30 VanDerWaalsContact O-N 3.16Å; L28-N30 PolarHBondContact O-N 3.3Å; N30-Q32 VanDerWaalsContact C-N 3.29Å; N30-Q32 PolarHBondContact O-N 3.1Å; N30-Q33 WeakPolarHBondContact O-CB 3.23Å; N30-Q33 PolarHBondContact O-N 3.34Å; N30-L34 PolarHBondContact O-N 2.99Å; N30-R139 PolarHBondContact OD1-NH1 3.44Å; N30-R139 PolarHBondContact OD1-NH2 2.96Å; N30-F146 HydrophobicContact CB-CE1 3.96Å; N30-F146 HydrophobicContact CB-CZ 3.97Å; N30-F146 WeakPolarHBondContact O-CZ 3.42Å; N30-W147 HydrophobicContact CB-CH2 3.68Å; N30-W147 HydrophobicContact CB-CZ3 3.53Å
31S98.6Very high98.4Very high0 Ų056.8 Ų56.80%026%0.263CS..Hα-helixtrans-59.1-42.4176.2-490000111L27 L28 Q33 L34 I35 L114 Y115L27-S31 PolarHBondContact O-N 2.93Å; L27-S31 PolarHBondContact O-OG 3.28Å; L28-S31 CarbonylContact O-C 3.59Å; L28-S31 WeakPolarHBondContact O-CA 3.39Å; L28-S31 WeakPolarHBondContact O-CB 3.34Å; L28-S31 PolarHBondContact O-N 3.1Å; S31-Q33 VanDerWaalsContact C-N 3.33Å; S31-Q33 PolarHBondContact O-N 2.82Å; S31-L34 WeakPolarHBondContact O-CB 3.48Å; S31-L34 PolarHBondContact O-N 2.79Å; S31-L34 VanDerWaalsContact O-N 3.14Å; S31-I35 WeakPolarHBondContact O-CG1 3.36Å; S31-I35 PolarHBondContact O-N 3.4Å; S31-L114 WeakPolarHBondContact CA-O 3.13Å; S31-L114 WeakPolarHBondContact CB-O 3.41Å; S31-L114 PolarHBondContact OG-O 3.47Å; S31-L114 VanDerWaalsContact OG-O 3.09Å; S31-Y115 WeakPolarHBondContact OG-CD1 3.42Å
32Q98.3Very high98.4Very high92 Ų9256 Ų5643%0.4327%0.268SS..Hα-helixtrans-63-36.7178.4-169.417737.200112.4L28 N30 I35 H36 W67L28-Q32 WeakPolarHBondContact O-CB 3.46Å; L28-Q32 PolarHBondContact O-N 2.99Å; N30-Q32 VanDerWaalsContact C-N 3.29Å; N30-Q32 PolarHBondContact O-N 3.1Å; Q32-I35 PolarHBondContact O-N 3.16Å; Q32-H36 WeakPolarHBondContact O-CB 3.45Å; Q32-H36 PolarHBondContact O-N 3.44Å; Q32-W67 HydrophobicContact CB-CH2 4.15Å; Q32-W67 HydrophobicContact CB-CZ3 3.97Å; Q32-W67 HydrophobicContact CG-CZ3 4.11Å
33Q98.5Very high98.4Very high77 Ų7753 Ų5336%0.3626%0.262SS..Hα-helixtrans-62-43173.1-72.4164.76300111.5D29 N30 S31 H36 E37 F146D29-Q33 WeakPolarHBondContact O-CG 3.4Å; D29-Q33 PolarHBondContact O-N 2.91Å; D29-Q33 PolarHBondContact O-NE2 3.37Å; N30-Q33 WeakPolarHBondContact O-CB 3.23Å; N30-Q33 PolarHBondContact O-N 3.34Å; S31-Q33 VanDerWaalsContact C-N 3.33Å; S31-Q33 PolarHBondContact O-N 2.82Å; Q33-H36 WeakPolarHBondContact O-CB 3.49Å; Q33-H36 PolarHBondContact O-N 2.83Å; Q33-E37 PolarHBondContact O-N 2.68Å; Q33-F146 HydrophobicContact CB-CE2 3.96Å; Q33-F146 HydrophobicContact CB-CZ 3.99Å
34L98.6Very high98.4Very high0 Ų055.3 Ų55.30%028%0.277CS..Hα-helixtrans-66.4-39.5175.4-68.2176.9000112.2N30 S31 H36 E37 A38 G113 L114 L129 L135 L143 F146 W147N30-L34 PolarHBondContact O-N 2.99Å; S31-L34 WeakPolarHBondContact O-CB 3.48Å; S31-L34 PolarHBondContact O-N 2.79Å; S31-L34 VanDerWaalsContact O-N 3.14Å; L34-H36 VanDerWaalsContact C-N 3.32Å; L34-E37 PolarHBondContact O-N 3.29Å; L34-A38 WeakPolarHBondContact O-CB 3.31Å; L34-A38 PolarHBondContact O-N 3.25Å; L34-G113 WeakPolarHBondContact CD1-O 3.38Å; L34-L114 HydrophobicContact CB-CD1 4.05Å; L34-L114 HydrophobicContact CD1-CD1 4.49Å; L34-L129 HydrophobicContact CD1-CD2 4.26Å; L34-L135 HydrophobicContact CD2-CD2 4.33Å; L34-L143 HydrophobicContact CD1-CD2 4.02Å; L34-L143 HydrophobicContact CD2-CD2 3.56Å; L34-L143 HydrophobicContact CG-CD2 4.43Å; L34-F146 HydrophobicContact CD1-CD1 3.72Å; L34-F146 HydrophobicContact CD1-CE1 3.59Å; L34-F146 HydrophobicContact CD1-CZ 4.3Å; L34-F146 HydrophobicContact CD2-CB 4.32Å; L34-F146 HydrophobicContact CD2-CD1 3.65Å; L34-F146 HydrophobicContact CD2-CD2 3.74Å; L34-F146 HydrophobicContact CD2-CE1 3.86Å; L34-F146 HydrophobicContact CD2-CE2 3.94Å; L34-F146 HydrophobicContact CD2-CG 3.6Å; L34-F146 HydrophobicContact CD2-CZ 4.01Å; L34-F146 HydrophobicContact CG-CD1 3.76Å; L34-F146 HydrophobicContact CG-CD2 4.35Å; L34-F146 HydrophobicContact CG-CE1 3.48Å; L34-F146 VanDerWaalsContact CG-CE1 3.48Å; L34-F146 HydrophobicContact CG-CE2 4.11Å; L34-F146 HydrophobicContact CG-CG 4.2Å; L34-F146 HydrophobicContact CG-CZ 3.69Å; L34-W147 HydrophobicContact CD1-CZ2 3.76Å
35I98.6Very high98.4Very high1 Ų155.9 Ų55.91%0.00528%0.278CS..Hα-helixtrans-63.4-39.9175.6-68.8-67.3000111.1S31 Q32 E37 A38 R39 F64 W67 L114S31-I35 WeakPolarHBondContact O-CG1 3.36Å; S31-I35 PolarHBondContact O-N 3.4Å; Q32-I35 PolarHBondContact O-N 3.16Å; I35-E37 VanDerWaalsContact C-N 3.3Å; I35-E37 PolarHBondContact O-N 3.46Å; I35-A38 PolarHBondContact O-N 3.27Å; I35-R39 HydrophobicContact CG2-CG 4.17Å; I35-R39 WeakPolarHBondContact O-CB 3.31Å; I35-R39 VanDerWaalsContact O-CG 3.27Å; I35-R39 WeakPolarHBondContact O-CG 3.29Å; I35-R39 PolarHBondContact O-N 3.25Å; I35-F64 HydrophobicContact CD1-CD1 3.79Å; I35-W67 HydrophobicContact CB-CD2 4.42Å; I35-W67 HydrophobicContact CB-CE3 4.09Å; I35-W67 HydrophobicContact CD1-CB 3.86Å; I35-W67 HydrophobicContact CD1-CD2 4.01Å; I35-W67 HydrophobicContact CD1-CG 3.68Å; I35-W67 HydrophobicContact CG1-CB 4.27Å; I35-W67 HydrophobicContact CG1-CD2 3.58Å; I35-W67 HydrophobicContact CG1-CE3 3.72Å; I35-W67 HydrophobicContact CG1-CG 3.83Å; I35-W67 HydrophobicContact CG1-CZ3 4.3Å; I35-W67 HydrophobicContact CG2-CB 4.17Å; I35-W67 HydrophobicContact CG2-CD2 4.35Å; I35-W67 HydrophobicContact CG2-CE3 3.92Å; I35-W67 HydrophobicContact CG2-CG 4.47Å; I35-L114 HydrophobicContact CD1-CD1 3.78Å; I35-L114 HydrophobicContact CD1-CD2 4.01Å; I35-L114 HydrophobicContact CG1-CD1 3.85Å
36H98.2Very high98.4Very high108 Ų10855.5 Ų55.550%0.528%0.275SS..Hα-helixtrans-57.5-43.9175.317877.6000111.7Q32 Q33 L34 K40Q32-H36 WeakPolarHBondContact O-CB 3.45Å; Q32-H36 PolarHBondContact O-N 3.44Å; Q33-H36 WeakPolarHBondContact O-CB 3.49Å; Q33-H36 PolarHBondContact O-N 2.83Å; L34-H36 VanDerWaalsContact C-N 3.32Å; H36-K40 PolarHBondContact CD2-NZ 2.84Å; H36-K40 WeakPolarHBondContact NE2-CE 3.24Å; H36-K40 PolarHBondContact NE2-NZ 3.39Å; H36-K40 VanDerWaalsContact NE2-NZ 3.16Å
37E98.3Very high98.4Very high45 Ų4551.9 Ų51.921%0.2126%0.26CS..Hα-helixtrans-69.9-44.4174.9-61.6-50.9141.200112.4Q33 L34 I35 R39 K40 L135 N137Q33-E37 PolarHBondContact O-N 2.68Å; L34-E37 PolarHBondContact O-N 3.29Å; I35-E37 VanDerWaalsContact C-N 3.3Å; I35-E37 PolarHBondContact O-N 3.46Å; E37-R39 VanDerWaalsContact C-N 3.27Å; E37-R39 PolarHBondContact O-N 2.98Å; E37-K40 WeakPolarHBondContact O-CB 3.29Å; E37-K40 PolarHBondContact O-N 2.87Å; E37-K40 VanDerWaalsContact O-N 3.11Å; E37-K40 IonicContact OE1-NZ 2.9Å; E37-K40 PolarHBondContact OE1-NZ 3.4Å; E37-K40 IonicContact OE2-NZ 2.76Å; E37-K40 PolarHBondContact OE2-NZ 3.45Å; E37-L135 HydrophobicContact CB-CD1 4.43Å; E37-L135 HydrophobicContact CB-CD2 4.38Å; E37-L135 HydrophobicContact CB-CG 4.48Å; E37-N137 HydrophobicContact CG-CB 4.2Å
38A98.3Very high98.3Very high1 Ų156.8 Ų56.81%0.00829%0.291CS..Hα-helixtrans-62.3-33.4-178.600000112.9L34 I35 K40 L41 F64L34-A38 WeakPolarHBondContact O-CB 3.31Å; L34-A38 PolarHBondContact O-N 3.25Å; I35-A38 PolarHBondContact O-N 3.27Å; A38-K40 PolarHBondContact O-N 3.4Å; A38-L41 WeakPolarHBondContact O-CB 3.27Å; A38-L41 PolarHBondContact O-N 3.29Å; A38-F64 HydrophobicContact CB-CB 4.26Å; A38-F64 HydrophobicContact CB-CD1 4.04Å; A38-F64 HydrophobicContact CB-CD2 3.71Å; A38-F64 HydrophobicContact CB-CE1 4.31Å; A38-F64 HydrophobicContact CB-CE2 4.01Å; A38-F64 HydrophobicContact CB-CG 3.74Å; A38-F64 HydrophobicContact CB-CZ 4.31Å
39R98Very high98.3Very high118 Ų11858 Ų5845%0.44530%0.297SS..THydrogen-bonded Turntrans-65.5-21.9176.3-81.2174.5169.4168-6.1114.2I35 E37 L41 F64 H65 W67I35-R39 HydrophobicContact CG2-CG 4.17Å; I35-R39 WeakPolarHBondContact O-CB 3.31Å; I35-R39 VanDerWaalsContact O-CG 3.27Å; I35-R39 WeakPolarHBondContact O-CG 3.29Å; I35-R39 PolarHBondContact O-N 3.25Å; E37-R39 VanDerWaalsContact C-N 3.27Å; E37-R39 PolarHBondContact O-N 2.98Å; R39-L41 PolarHBondContact O-N 3.04Å; R39-F64 HydrophobicContact CG-CB 4.33Å; R39-F64 VanDerWaalsContact CG-O 3.31Å; R39-F64 WeakPolarHBondContact CG-O 3.49Å; R39-F64 PolarHBondContact NE-O 3.12Å; R39-H65 PolarHBondContact NE-O 3.18Å; R39-H65 PolarHBondContact NH2-O 2.8Å; R39-W67 PolarHBondContact NH2-O 3.05Å
40K97.9Very high98.3Very high116 Ų11652.8 Ų52.850%0.50427%0.269SS..THydrogen-bonded Turntrans-75.2-16.4177.4-61171.1-170.71680112.1H36 E37 A38H36-K40 PolarHBondContact CD2-NZ 2.84Å; H36-K40 WeakPolarHBondContact NE2-CE 3.24Å; H36-K40 PolarHBondContact NE2-NZ 3.39Å; H36-K40 VanDerWaalsContact NE2-NZ 3.16Å; E37-K40 WeakPolarHBondContact O-CB 3.29Å; E37-K40 PolarHBondContact O-N 2.87Å; E37-K40 VanDerWaalsContact O-N 3.11Å; E37-K40 IonicContact OE1-NZ 2.9Å; E37-K40 PolarHBondContact OE1-NZ 3.4Å; E37-K40 IonicContact OE2-NZ 2.76Å; E37-K40 PolarHBondContact OE2-NZ 3.45Å; A38-K40 PolarHBondContact O-N 3.4Å
41L98.2Very high98.2Very high40 Ų4062.8 Ų62.821%0.20931%0.305CS..  trans-85.2131.6-175.8-55.9176.1000111.2A38 R39 Q45 I46 L49 L135A38-L41 WeakPolarHBondContact O-CB 3.27Å; A38-L41 PolarHBondContact O-N 3.29Å; R39-L41 PolarHBondContact O-N 3.04Å; L41-Q45 HydrophobicContact CB-CB 4.29Å; L41-Q45 HydrophobicContact CD2-CB 4.31Å; L41-I46 HydrophobicContact CB-CD1 4.15Å; L41-I46 HydrophobicContact CB-CG1 3.62Å; L41-I46 HydrophobicContact CD1-CG1 4.15Å; L41-L49 HydrophobicContact CD1-CD2 3.61Å; L41-L135 HydrophobicContact CD1-CD1 3.88Å
42T98.2Very high98.1Very high69 Ų6963.6 Ų63.642%0.42331%0.309SS..  trans-73.5158.1168.561.70000111.1Q45 I46T42-Q45 WeakPolarHBondContact O-CB 3.49Å; T42-Q45 PolarHBondContact O-N 3.1Å; T42-Q45 WeakPolarHBondContact OG1-CG 3.48Å; T42-Q45 PolarHBondContact OG1-OE1 2.81Å; T42-I46 PolarHBondContact O-N 3.43Å
43P98.5Very high98.1Very high49 Ų4962.2 Ų62.232%0.31831%0.31SS..Hα-helixtrans-52.7-42176.6-24.832.2000114.5Q45 I46 S47 A57 A61P43-Q45 VanDerWaalsContact C-N 3.34Å; P43-Q45 PolarHBondContact O-N 3.47Å; P43-I46 PolarHBondContact O-N 3.44Å; P43-S47 WeakPolarHBondContact O-CB 3.23Å; P43-S47 PolarHBondContact O-N 3.23Å; P43-A57 VanDerWaalsContact O-CB 3.29Å; P43-A57 WeakPolarHBondContact O-CB 3.31Å; P43-A61 HydrophobicContact CG-CB 4Å
44P98.6Very high98.1Very high86 Ų8664 Ų6456%0.55832%0.322SS*.Hα-helixtrans-61.9-36.6174.1-25.436.4000114.1S47 T48P44-S47 PolarHBondContact O-N 3.34Å; P44-T48 PolarHBondContact O-N 3.34Å; P44-T48 VanDerWaalsContact O-N 3.07Å; P44-T48 PolarHBondContact O-OG1 3.1Å
45Q98.4Very high98.1Very high97 Ų9771.8 Ų71.845%0.45336%0.356SS..Hα-helixtrans-67.3-41.8174.9-71.9168.1-49.200111.2L41 T42 P43 T48 L49L41-Q45 HydrophobicContact CB-CB 4.29Å; L41-Q45 HydrophobicContact CD2-CB 4.31Å; T42-Q45 WeakPolarHBondContact O-CB 3.49Å; T42-Q45 PolarHBondContact O-N 3.1Å; T42-Q45 WeakPolarHBondContact OG1-CG 3.48Å; T42-Q45 PolarHBondContact OG1-OE1 2.81Å; P43-Q45 VanDerWaalsContact C-N 3.34Å; P43-Q45 PolarHBondContact O-N 3.47Å; Q45-T48 PolarHBondContact O-N 2.93Å; Q45-L49 WeakPolarHBondContact O-CB 3.4Å; Q45-L49 PolarHBondContact O-N 2.79Å
46I98.4Very high98Very high0 Ų074.8 Ų74.80%037%0.371CS..Hα-helixtrans-62.4-45.4174.9-67.1169.3000110.8L41 T42 P43 T48 L49 M50 I52 A57 A61 F64L41-I46 HydrophobicContact CB-CD1 4.15Å; L41-I46 HydrophobicContact CB-CG1 3.62Å; L41-I46 HydrophobicContact CD1-CG1 4.15Å; T42-I46 PolarHBondContact O-N 3.43Å; P43-I46 PolarHBondContact O-N 3.44Å; I46-T48 VanDerWaalsContact C-N 3.32Å; I46-T48 PolarHBondContact O-N 3.17Å; I46-L49 PolarHBondContact O-N 2.72Å; I46-M50 HydrophobicContact CG2-CG 4.38Å; I46-M50 HydrophobicContact CG2-SD 3.98Å; I46-M50 WeakPolarHBondContact O-CB 3.45Å; I46-M50 PolarHBondContact O-N 3.46Å; I46-I52 HydrophobicContact CG2-CD1 4.14Å; I46-A57 HydrophobicContact CB-CB 4.26Å; I46-A57 HydrophobicContact CG2-CB 4.05Å; I46-A61 HydrophobicContact CD1-CB 3.68Å; I46-F64 HydrophobicContact CD1-CD2 4.03Å; I46-F64 HydrophobicContact CD1-CE2 4.14Å
47S98.3Very high98.1Very high17 Ų1769.6 Ų69.612%0.11935%0.347CS..Hα-helixtrans-53.7-49.5176.7-174.30000110.9P43 P44 R51 I52 D54P43-S47 WeakPolarHBondContact O-CB 3.23Å; P43-S47 PolarHBondContact O-N 3.23Å; P44-S47 PolarHBondContact O-N 3.34Å; S47-R51 VanDerWaalsContact O-CA 3.24Å; S47-R51 WeakPolarHBondContact O-CA 3.01Å; S47-R51 PolarHBondContact O-N 2.9Å; S47-I52 PolarHBondContact O-N 3.45Å; S47-I52 PolarHBondContact OG-O 2.86Å; S47-D54 PolarHBondContact OG-OD1 2.81Å
48T98.2Very high98.1Very high111 Ų11170.5 Ų70.568%0.68136%0.358SS*.Hα-helixtrans-66.3-49.8178.3-560000112.4P44 Q45 I46 M50P44-T48 PolarHBondContact O-N 3.34Å; P44-T48 VanDerWaalsContact O-N 3.07Å; P44-T48 PolarHBondContact O-OG1 3.1Å; Q45-T48 PolarHBondContact O-N 2.93Å; I46-T48 VanDerWaalsContact C-N 3.32Å; I46-T48 PolarHBondContact O-N 3.17Å; T48-M50 PolarHBondContact O-N 3.28Å
49L97.8Very high98.1Very high49 Ų4973.5 Ų73.526%0.25737%0.374SS..Hα-helixtrans-62-44.2-176.5177.965.4000111.8L41 Q45 I46 I133 R134 L135L41-L49 HydrophobicContact CD1-CD2 3.61Å; Q45-L49 WeakPolarHBondContact O-CB 3.4Å; Q45-L49 PolarHBondContact O-N 2.79Å; I46-L49 PolarHBondContact O-N 2.72Å; L49-I133 HydrophobicContact CD1-CG2 4.08Å; L49-I133 HydrophobicContact CD2-CG2 3.98Å; L49-I133 HydrophobicContact CG-CG2 3.82Å; L49-R134 WeakPolarHBondContact CD1-O 3.11Å; L49-L135 HydrophobicContact CD2-CD1 4.03Å
50M97.4Very high98.1Very high10 Ų1067.9 Ų67.95%0.04935%0.353CS..Hα-helixtrans-95.4-6-174.9-58.2-169.2174.600114I46 T48 I52 F64 R128 L129 I133I46-M50 HydrophobicContact CG2-CG 4.38Å; I46-M50 HydrophobicContact CG2-SD 3.98Å; I46-M50 WeakPolarHBondContact O-CB 3.45Å; I46-M50 PolarHBondContact O-N 3.46Å; T48-M50 PolarHBondContact O-N 3.28Å; M50-I52 HydrophobicContact CB-CD1 3.96Å; M50-I52 HydrophobicContact CB-CG1 4.05Å; M50-I52 HydrophobicContact CB-CG2 4.13Å; M50-I52 WeakPolarHBondContact O-CG2 3.09Å; M50-I52 PolarHBondContact O-N 2.8Å; M50-I52 HydrophobicContact SD-CD1 4.31Å; M50-F64 HydrophobicContact CE-CE2 3.92Å; M50-F64 HydrophobicContact CE-CZ 3.69Å; M50-R128 WeakPolarHBondContact CE-O 3.24Å; M50-R128 VanDerWaalsContact SD-O 3.41Å; M50-L129 HydrophobicContact CE-CD1 3.53Å; M50-I133 HydrophobicContact CB-CD1 4.17Å; M50-I133 HydrophobicContact CG-CD1 4.02Å; M50-I133 HydrophobicContact CG-CG1 4.46Å
51R97.2Very high98.1Very high233 Ų23363.4 Ų63.488%0.87934%0.337SS*.THydrogen-bonded Turntrans52.852.4-176.7-56.2179.8178.6-174.4-2.9111.8S47S47-R51 VanDerWaalsContact O-CA 3.24Å; S47-R51 WeakPolarHBondContact O-CA 3.01Å; S47-R51 PolarHBondContact O-N 2.9Å
52I97.4Very high98.1Very high16 Ų1663.7 Ų63.78%0.08235%0.345CS..  trans-121.8166.2-179.560.6-177.4000110.5I46 S47 M50 L56 A57I46-I52 HydrophobicContact CG2-CD1 4.14Å; S47-I52 PolarHBondContact O-N 3.45Å; S47-I52 PolarHBondContact OG-O 2.86Å; M50-I52 HydrophobicContact CB-CD1 3.96Å; M50-I52 HydrophobicContact CB-CG1 4.05Å; M50-I52 HydrophobicContact CB-CG2 4.13Å; M50-I52 WeakPolarHBondContact O-CG2 3.09Å; M50-I52 PolarHBondContact O-N 2.8Å; M50-I52 HydrophobicContact SD-CD1 4.31Å; I52-L56 HydrophobicContact CB-CB 4.07Å; I52-L56 HydrophobicContact CB-CD1 4.34Å; I52-L56 HydrophobicContact CD1-CB 3.99Å; I52-L56 HydrophobicContact CG1-CB 4.23Å; I52-A57 HydrophobicContact CD1-CB 4.31Å; I52-A57 HydrophobicContact CG1-CB 4.26Å
53S98.1Very high98.1Very high63 Ų6363.9 Ų63.944%0.44134%0.338SS..  trans-68.2157175.5630000112K55 L56 A57S53-K55 PolarHBondContact O-N 2.78Å; S53-L56 CarbonylContact O-C 3.58Å; S53-L56 WeakPolarHBondContact O-CA 3.49Å; S53-L56 WeakPolarHBondContact O-CB 3.22Å; S53-L56 PolarHBondContact O-N 2.56Å; S53-L56 WeakPolarHBondContact OG-CG 3.46Å; S53-L56 PolarHBondContact OG-N 2.77Å; S53-A57 PolarHBondContact O-N 2.89Å
54D98Very high98.1Very high115 Ų11561.6 Ų61.662%0.61532%0.323SS*.Hα-helixtrans-57.3-38.8177.8-61.1-23.1000112.4S47 L56 A57 S58S47-D54 PolarHBondContact OG-OD1 2.81Å; D54-L56 VanDerWaalsContact C-N 3.34Å; D54-L56 PolarHBondContact O-N 2.79Å; D54-A57 PolarHBondContact O-N 3.23Å; D54-S58 PolarHBondContact O-N 3.27Å; D54-S58 PolarHBondContact O-OG 3.44Å
55K98.2Very high98.1Very high164 Ų16463.8 Ų63.871%0.71333%0.326SS*.Hα-helixtrans-57.1-47.3173.4-179.5176.4178.71770111.6S53 A57 I59S53-K55 PolarHBondContact O-N 2.78Å; K55-A57 VanDerWaalsContact C-N 3.34Å; K55-I59 HydrophobicContact CG-CD1 4.2Å; K55-I59 WeakPolarHBondContact O-CD1 3.19Å; K55-I59 VanDerWaalsContact O-CG1 3.3Å; K55-I59 WeakPolarHBondContact O-CG1 3.27Å; K55-I59 PolarHBondContact O-N 3.38Å
56L97.5Very high98Very high63 Ų6364.3 Ų64.333%0.3333%0.332SS..Hα-helixtrans-69.5-34178.2-74.6170.5000111.6I52 S53 D54 I59 N60I52-L56 HydrophobicContact CB-CB 4.07Å; I52-L56 HydrophobicContact CB-CD1 4.34Å; I52-L56 HydrophobicContact CD1-CB 3.99Å; I52-L56 HydrophobicContact CG1-CB 4.23Å; S53-L56 CarbonylContact O-C 3.58Å; S53-L56 WeakPolarHBondContact O-CA 3.49Å; S53-L56 WeakPolarHBondContact O-CB 3.22Å; S53-L56 PolarHBondContact O-N 2.56Å; S53-L56 WeakPolarHBondContact OG-CG 3.46Å; S53-L56 PolarHBondContact OG-N 2.77Å; D54-L56 VanDerWaalsContact C-N 3.34Å; D54-L56 PolarHBondContact O-N 2.79Å; L56-I59 PolarHBondContact O-N 3.15Å; L56-N60 PolarHBondContact O-N 2.78Å; L56-N60 PolarHBondContact O-ND2 2.66Å
57A98.5Very high98Very high0 Ų064.5 Ų64.50%033%0.332CS..Hα-helixtrans-64.9-46176.700000111.7P43 I46 I52 S53 D54 K55 I59 N60 A61P43-A57 VanDerWaalsContact O-CB 3.29Å; P43-A57 WeakPolarHBondContact O-CB 3.31Å; I46-A57 HydrophobicContact CB-CB 4.26Å; I46-A57 HydrophobicContact CG2-CB 4.05Å; I52-A57 HydrophobicContact CD1-CB 4.31Å; I52-A57 HydrophobicContact CG1-CB 4.26Å; S53-A57 PolarHBondContact O-N 2.89Å; D54-A57 PolarHBondContact O-N 3.23Å; K55-A57 VanDerWaalsContact C-N 3.34Å; A57-I59 PolarHBondContact O-N 2.82Å; A57-N60 PolarHBondContact O-N 2.88Å; A57-A61 WeakPolarHBondContact O-CB 3.43Å; A57-A61 PolarHBondContact O-N 3.33Å
58S98.4Very high98Very high63 Ų6366.4 Ų66.444%0.44134%0.339SS..Hα-helixtrans-60.9-41.7175-61.40000112.4D54 N60 A61 A62D54-S58 PolarHBondContact O-N 3.27Å; D54-S58 PolarHBondContact O-OG 3.44Å; S58-N60 VanDerWaalsContact C-N 3.34Å; S58-N60 PolarHBondContact O-N 3.01Å; S58-A61 PolarHBondContact O-N 3.05Å; S58-A62 PolarHBondContact O-N 3.09Å; S58-A62 VanDerWaalsContact O-N 3.11Å
59I98.2Very high97.8Very high65 Ų6563.3 Ų63.333%0.33332%0.321SS..Hα-helixtrans-60.7-43.5175-70.2165.5000111.1K55 L56 A57 A62 R63K55-I59 HydrophobicContact CG-CD1 4.2Å; K55-I59 WeakPolarHBondContact O-CD1 3.19Å; K55-I59 VanDerWaalsContact O-CG1 3.3Å; K55-I59 WeakPolarHBondContact O-CG1 3.27Å; K55-I59 PolarHBondContact O-N 3.38Å; L56-I59 PolarHBondContact O-N 3.15Å; A57-I59 PolarHBondContact O-N 2.82Å; I59-A62 PolarHBondContact O-N 2.93Å; I59-R63 VanDerWaalsContact O-CG 3.32Å; I59-R63 WeakPolarHBondContact O-CG 3.46Å; I59-R63 PolarHBondContact O-N 2.87Å
60N98.2Very high97.8Very high0 Ų066.9 Ų66.90%034%0.34CS..Hα-helixtrans-76.4-30-178.7-70.5-65.6000112.9L56 A57 S58 R63 F64 R128L56-N60 PolarHBondContact O-N 2.78Å; L56-N60 PolarHBondContact O-ND2 2.66Å; A57-N60 PolarHBondContact O-N 2.88Å; S58-N60 VanDerWaalsContact C-N 3.34Å; S58-N60 PolarHBondContact O-N 3.01Å; N60-R63 PolarHBondContact O-N 3.26Å; N60-R63 WeakPolarHBondContact OD1-CD 3.32Å; N60-R63 PolarHBondContact OD1-NH1 3.07Å; N60-F64 HydrophobicContact CB-CE2 4.2Å; N60-F64 HydrophobicContact CB-CZ 4.38Å; N60-F64 WeakPolarHBondContact O-CD2 3.23Å; N60-F64 WeakPolarHBondContact O-CG 3.27Å; N60-F64 PolarHBondContact O-N 3.27Å; N60-R128 WeakPolarHBondContact OD1-CB 3.18Å; N60-R128 PolarHBondContact OD1-N 3.04Å
61A98.5Very high97.8Very high21 Ų2166.9 Ų66.917%0.17434%0.34CS..Hα-helixtrans-58.4-48169.300000111.1P43 I46 A57 S58 F64 H65P43-A61 HydrophobicContact CG-CB 4Å; I46-A61 HydrophobicContact CD1-CB 3.68Å; A57-A61 WeakPolarHBondContact O-CB 3.43Å; A57-A61 PolarHBondContact O-N 3.33Å; S58-A61 PolarHBondContact O-N 3.05Å; A61-F64 PolarHBondContact O-N 2.98Å; A61-H65 WeakPolarHBondContact O-CB 3.14Å; A61-H65 PolarHBondContact O-N 3.02Å
62A98.4Very high97.8Very high46 Ų4658.1 Ų58.138%0.3831%0.313SS..Hα-helixtrans-60.8-46.9174.600000111.5S58 I59 F64 H65 D66S58-A62 PolarHBondContact O-N 3.09Å; S58-A62 VanDerWaalsContact O-N 3.11Å; I59-A62 PolarHBondContact O-N 2.93Å; A62-F64 VanDerWaalsContact C-N 3.33Å; A62-F64 PolarHBondContact O-N 3.48Å; A62-H65 CarbonylContact O-C 3.58Å; A62-H65 WeakPolarHBondContact O-CA 3.44Å; A62-H65 WeakPolarHBondContact O-CB 3.32Å; A62-H65 PolarHBondContact O-N 2.91Å; A62-D66 WeakPolarHBondContact O-CB 3.12Å; A62-D66 VanDerWaalsContact O-CG 3.24Å; A62-D66 PolarHBondContact O-N 3.02Å
63R98.2Very high97.8Very high73 Ų7360.6 Ų60.628%0.27533%0.33SS..Hα-helixtrans-56.9-42.4175.8-72.7167.2177.2-177.5-6.4113.1I59 N60 H65 W67 P126I59-R63 VanDerWaalsContact O-CG 3.32Å; I59-R63 WeakPolarHBondContact O-CG 3.46Å; I59-R63 PolarHBondContact O-N 2.87Å; N60-R63 PolarHBondContact O-N 3.26Å; N60-R63 WeakPolarHBondContact OD1-CD 3.32Å; N60-R63 PolarHBondContact OD1-NH1 3.07Å; R63-H65 VanDerWaalsContact C-N 3.35Å; R63-W67 WeakPolarHBondContact O-CB 3.49Å; R63-W67 PolarHBondContact O-N 3.32Å; R63-P126 WeakPolarHBondContact CB-O 3.34Å; R63-P126 HydrophobicContact CG-CB 4.42Å; R63-P126 HydrophobicContact CG-CG 4.39Å
64F98.5Very high97.7Very high2 Ų265.4 Ų65.41%0.00935%0.345CS..Hα-helixtrans-67.9-36.7175.8-60.4-37.9000112I35 A38 R39 I46 M50 N60 A61 A62 R128I35-F64 HydrophobicContact CD1-CD1 3.79Å; A38-F64 HydrophobicContact CB-CB 4.26Å; A38-F64 HydrophobicContact CB-CD1 4.04Å; A38-F64 HydrophobicContact CB-CD2 3.71Å; A38-F64 HydrophobicContact CB-CE1 4.31Å; A38-F64 HydrophobicContact CB-CE2 4.01Å; A38-F64 HydrophobicContact CB-CG 3.74Å; A38-F64 HydrophobicContact CB-CZ 4.31Å; R39-F64 HydrophobicContact CG-CB 4.33Å; R39-F64 VanDerWaalsContact CG-O 3.31Å; R39-F64 WeakPolarHBondContact CG-O 3.49Å; R39-F64 PolarHBondContact NE-O 3.12Å; I46-F64 HydrophobicContact CD1-CD2 4.03Å; I46-F64 HydrophobicContact CD1-CE2 4.14Å; M50-F64 HydrophobicContact CE-CE2 3.92Å; M50-F64 HydrophobicContact CE-CZ 3.69Å; N60-F64 HydrophobicContact CB-CE2 4.2Å; N60-F64 HydrophobicContact CB-CZ 4.38Å; N60-F64 WeakPolarHBondContact O-CD2 3.23Å; N60-F64 WeakPolarHBondContact O-CG 3.27Å; N60-F64 PolarHBondContact O-N 3.27Å; A61-F64 PolarHBondContact O-N 2.98Å; A62-F64 VanDerWaalsContact C-N 3.33Å; A62-F64 PolarHBondContact O-N 3.48Å; F64-R128 WeakPolarHBondContact CZ-O 3.49Å
65H98.1Very high97.6Very high132 Ų13262.4 Ų62.461%0.61133%0.329SS*.Hα-helixtrans-64.7-46.4175.3-174.472.1000111.8R39 A61 A62 R63 W67R39-H65 PolarHBondContact NE-O 3.18Å; R39-H65 PolarHBondContact NH2-O 2.8Å; A61-H65 WeakPolarHBondContact O-CB 3.14Å; A61-H65 PolarHBondContact O-N 3.02Å; A62-H65 CarbonylContact O-C 3.58Å; A62-H65 WeakPolarHBondContact O-CA 3.44Å; A62-H65 WeakPolarHBondContact O-CB 3.32Å; A62-H65 PolarHBondContact O-N 2.91Å; R63-H65 VanDerWaalsContact C-N 3.35Å; H65-W67 VanDerWaalsContact C-N 3.31Å; H65-W67 PolarHBondContact O-N 2.77Å
66D97.4Very high97.6Very high108 Ų10854.9 Ų54.958%0.57830%0.298SS*.Hα-helixtrans-78.7-15.8-175.7-60-20.6000113A62 Q68A62-D66 WeakPolarHBondContact O-CB 3.12Å; A62-D66 VanDerWaalsContact O-CG 3.24Å; A62-D66 PolarHBondContact O-N 3.02Å; D66-Q68 PolarHBondContact O-N 3.08Å
67W98.4Very high97.7Very high3 Ų352.9 Ų52.91%0.01129%0.286CS..  trans-61.1130.9-177.4-170.698.5000112.5L28 Q32 I35 R39 R63 H65 P69 F71 Y115 Q125L28-W67 HydrophobicContact CD2-CH2 4.26Å; L28-W67 HydrophobicContact CD2-CZ2 3.87Å; Q32-W67 HydrophobicContact CB-CH2 4.15Å; Q32-W67 HydrophobicContact CB-CZ3 3.97Å; Q32-W67 HydrophobicContact CG-CZ3 4.11Å; I35-W67 HydrophobicContact CB-CD2 4.42Å; I35-W67 HydrophobicContact CB-CE3 4.09Å; I35-W67 HydrophobicContact CD1-CB 3.86Å; I35-W67 HydrophobicContact CD1-CD2 4.01Å; I35-W67 HydrophobicContact CD1-CG 3.68Å; I35-W67 HydrophobicContact CG1-CB 4.27Å; I35-W67 HydrophobicContact CG1-CD2 3.58Å; I35-W67 HydrophobicContact CG1-CE3 3.72Å; I35-W67 HydrophobicContact CG1-CG 3.83Å; I35-W67 HydrophobicContact CG1-CZ3 4.3Å; I35-W67 HydrophobicContact CG2-CB 4.17Å; I35-W67 HydrophobicContact CG2-CD2 4.35Å; I35-W67 HydrophobicContact CG2-CE3 3.92Å; I35-W67 HydrophobicContact CG2-CG 4.47Å; R39-W67 PolarHBondContact NH2-O 3.05Å; R63-W67 WeakPolarHBondContact O-CB 3.49Å; R63-W67 PolarHBondContact O-N 3.32Å; H65-W67 VanDerWaalsContact C-N 3.31Å; H65-W67 PolarHBondContact O-N 2.77Å; W67-P69 HydrophobicContact CH2-CB 4Å; W67-P69 HydrophobicContact CZ3-CB 4.1Å; W67-F71 AromaticContact CE2-CE1 3.81Å; W67-F71 AromaticContact CE2-CZ 3.79Å; W67-F71 AromaticContact CZ2-CE1 3.83Å; W67-F71 HydrophobicContact CZ2-CE1 3.83Å; W67-F71 AromaticContact CZ2-CZ 3.76Å; W67-F71 HydrophobicContact CZ2-CZ 3.76Å; W67-F71 AromaticContact NE1-CE1 3.83Å; W67-F71 AromaticContact NE1-CZ 3.54Å; W67-Y115 HydrophobicContact CZ2-CE1 4.13Å; W67-Y115 AromaticContact NE1-CE1 3.73Å; W67-Y115 AromaticContact NE1-CZ 3.75Å; W67-Y115 PolarHBondContact NE1-OH 2.96Å; W67-Q125 VanDerWaalsContact CA-OE1 3.31Å
68Q96.9Very high97.7Very high58 Ų5853.2 Ų53.227%0.27129%0.287SS..  trans-147147.3178.862.573.625.400110.5D66 D70 F71 N75 Q125D66-Q68 PolarHBondContact O-N 3.08Å; Q68-D70 PolarHBondContact NE2-O 3.5Å; Q68-D70 PolarHBondContact O-N 3.21Å; Q68-D70 VanDerWaalsContact OE1-CA 3.25Å; Q68-D70 PolarHBondContact OE1-O 3.38Å; Q68-F71 WeakPolarHBondContact O-CD1 3.37Å; Q68-F71 WeakPolarHBondContact O-CE1 3.24Å; Q68-N75 PolarHBondContact NE2-ND2 2.99Å; Q68-Q125 VanDerWaalsContact NE2-NE2 3.11Å; Q68-Q125 PolarHBondContact O-NE2 2.77Å
69P95.7Very high97.7Very high45 Ų4550.2 Ų50.229%0.29227%0.266SS..SBendtrans-75.8-15.1-167.330.9-36.4000115.8W67 F71W67-P69 HydrophobicContact CH2-CB 4Å; W67-P69 HydrophobicContact CZ3-CB 4.1Å; P69-F71 VanDerWaalsContact C-N 3.28Å; P69-F71 PolarHBondContact O-N 3.21Å
70D96.7Very high97.7Very high124 Ų12447.2 Ų47.266%0.66325%0.251SS*.  trans-79.673.8177.8-60.7-35.7000110.6Q68 T72 N75Q68-D70 PolarHBondContact NE2-O 3.5Å; Q68-D70 PolarHBondContact O-N 3.21Å; Q68-D70 VanDerWaalsContact OE1-CA 3.25Å; Q68-D70 PolarHBondContact OE1-O 3.38Å; D70-T72 PolarHBondContact O-N 2.86Å; D70-N75 PolarHBondContact O-ND2 3.07Å; D70-N75 VanDerWaalsContact O-ND2 3.14Å
71F98Very high97.8Very high11 Ų1147.5 Ų47.55%0.04825%0.253CS..  trans-70.8131.7-177.7-7413.8000111.4L24 P25 L28 W67 Q68 P69 N75 A76 Y115 L123 Q125L24-F71 HydrophobicContact CD2-CB 3.95Å; P25-F71 HydrophobicContact CG-CD2 4.24Å; P25-F71 HydrophobicContact CG-CE2 4Å; L28-F71 HydrophobicContact CD2-CD2 4.49Å; L28-F71 HydrophobicContact CD2-CE1 4.33Å; L28-F71 HydrophobicContact CD2-CE2 3.9Å; L28-F71 HydrophobicContact CD2-CZ 3.85Å; W67-F71 AromaticContact CE2-CE1 3.81Å; W67-F71 AromaticContact CE2-CZ 3.79Å; W67-F71 AromaticContact CZ2-CE1 3.83Å; W67-F71 HydrophobicContact CZ2-CE1 3.83Å; W67-F71 AromaticContact CZ2-CZ 3.76Å; W67-F71 HydrophobicContact CZ2-CZ 3.76Å; W67-F71 AromaticContact NE1-CE1 3.83Å; W67-F71 AromaticContact NE1-CZ 3.54Å; Q68-F71 WeakPolarHBondContact O-CD1 3.37Å; Q68-F71 WeakPolarHBondContact O-CE1 3.24Å; P69-F71 VanDerWaalsContact C-N 3.28Å; P69-F71 PolarHBondContact O-N 3.21Å; F71-N75 WeakPolarHBondContact CA-OD1 3.49Å; F71-A76 HydrophobicContact CB-CB 4.17Å; F71-A76 HydrophobicContact CD2-CB 4.15Å; F71-A76 HydrophobicContact CG-CB 4.16Å; F71-Y115 AromaticContact CE2-CE1 3.87Å; F71-Y115 HydrophobicContact CE2-CE1 3.87Å; F71-Y115 AromaticContact CZ-CE1 3.65Å; F71-Y115 HydrophobicContact CZ-CE1 3.65Å; F71-Y115 AromaticContact CZ-CZ 3.96Å; F71-Y115 WeakPolarHBondContact CZ-OH 3.37Å; F71-L123 HydrophobicContact CB-CB 4.13Å; F71-L123 HydrophobicContact CB-CD1 4.28Å; F71-L123 HydrophobicContact CD2-CB 3.95Å; F71-L123 WeakPolarHBondContact CD2-O 3.32Å; F71-L123 VanDerWaalsContact CE2-O 3.24Å; F71-L123 WeakPolarHBondContact CE2-O 3.32Å; F71-Q125 HydrophobicContact CD1-CG 3.99Å; F71-Q125 VanDerWaalsContact CD1-NE2 3.28Å; F71-Q125 HydrophobicContact CE1-CB 4.27Å; F71-Q125 HydrophobicContact CE1-CG 3.65Å; F71-Q125 HydrophobicContact CZ-CB 4.14Å; F71-Q125 HydrophobicContact CZ-CG 3.93Å
72T97.5Very high97.8Very high49 Ų4946.5 Ų46.530%0.30124%0.244SC..  trans-134.7160.4175.575.70000109.7D70 E74 N75 A76D70-T72 PolarHBondContact O-N 2.86Å; T72-E74 WeakPolarHBondContact CB-OE2 3.44Å; T72-E74 PolarHBondContact O-N 3.23Å; T72-E74 PolarHBondContact OG1-N 3.17Å; T72-E74 PolarHBondContact OG1-OE2 2.81Å; T72-N75 PolarHBondContact N-OD1 2.64Å; T72-N75 PolarHBondContact O-N 3.17Å; T72-N75 PolarHBondContact O-OD1 2.9Å; T72-N75 PolarHBondContact OG1-ND2 3.19Å; T72-A76 PolarHBondContact O-N 2.86Å
73P96.7Very high97.8Very high68 Ų6844.3 Ų44.344%0.44223%0.226SC..THydrogen-bonded Turntrans-56.5-19.1175.4-27.137000114.7Y22Y22-P73 HydrophobicContact CD1-CG 4.03Å; Y22-P73 HydrophobicContact CE1-CG 3.67Å
74E95.7Very high97.7Very high164 Ų16443.5 Ų43.577%0.76623%0.225SC*.THydrogen-bonded Turntrans-77.7-29.6177.2-61.369.7-148.200112.9T72T72-E74 WeakPolarHBondContact CB-OE2 3.44Å; T72-E74 PolarHBondContact O-N 3.23Å; T72-E74 PolarHBondContact OG1-N 3.17Å; T72-E74 PolarHBondContact OG1-OE2 2.81Å
75N96.9Very high97.6Very high52 Ų5244.7 Ų44.728%0.27824%0.237SC..THydrogen-bonded Turntrans-112.5-15.2-176.767.940.7000113.9Q68 D70 F71 T72 Q125Q68-N75 PolarHBondContact NE2-ND2 2.99Å; D70-N75 PolarHBondContact O-ND2 3.07Å; D70-N75 VanDerWaalsContact O-ND2 3.14Å; F71-N75 WeakPolarHBondContact CA-OD1 3.49Å; T72-N75 PolarHBondContact N-OD1 2.64Å; T72-N75 PolarHBondContact O-N 3.17Å; T72-N75 PolarHBondContact O-OD1 2.9Å; T72-N75 PolarHBondContact OG1-ND2 3.19Å; N75-Q125 WeakPolarHBondContact O-CG 3.34Å; N75-Q125 PolarHBondContact OD1-NE2 2.83Å
76A98.2Very high97.5Very high6 Ų640.6 Ų40.65%0.0522%0.22CC..  trans-138.9162.5-173.200000111.4F71 T72 L123 M124 Q125F71-A76 HydrophobicContact CB-CB 4.17Å; F71-A76 HydrophobicContact CD2-CB 4.15Å; F71-A76 HydrophobicContact CG-CB 4.16Å; T72-A76 PolarHBondContact O-N 2.86Å; A76-L123 HydrophobicContact CB-CB 3.8Å; A76-L123 HydrophobicContact CB-CD1 4.37Å; A76-L123 HydrophobicContact CB-CG 4.47Å; A76-M124 WeakPolarHBondContact CA-O 3.26Å; A76-Q125 HydrophobicContact CB-CG 3.97Å
77R98.5Very high97.4Very high21 Ų2136.3 Ų36.38%0.07920%0.197CC..EExtended strand (participates in β ladder)trans-137.6148.6-179.5175179.6-80.3-148.5-9.2110.3D12 Y13 S15 L17 A79 L81 A82 L123 M124D12-R77 WeakPolarHBondContact O-CD 3.42Å; D12-R77 PolarHBondContact O-NE 3.14Å; D12-R77 PolarHBondContact O-NH1 3.31Å; D12-R77 VanDerWaalsContact O-NH1 3.07Å; D12-R77 IonicContact OD1-NH1 3.13Å; D12-R77 IonicContact OD2-NH1 2.94Å; D12-R77 PolarHBondContact OD2-NH1 2.92Å; Y13-R77 VanDerWaalsContact C-CZ 3.44Å; Y13-R77 VanDerWaalsContact C-NH2 3.27Å; Y13-R77 HydrophobicContact CD1-CB 3.71Å; Y13-R77 HydrophobicContact CE1-CB 3.7Å; Y13-R77 PolarHBondContact O-NH2 3.13Å; S15-R77 PolarHBondContact O-NH1 2.85Å; S15-R77 PolarHBondContact O-NH2 2.82Å; L17-R77 HydrophobicContact CD2-CG 4.13Å; R77-A79 PolarHBondContact O-N 3.45Å; R77-L81 HydrophobicContact CG-CB 4.32Å; R77-A82 HydrophobicContact CB-CB 4.01Å; R77-A82 HydrophobicContact CG-CB 3.85Å; R77-L123 CarbonylContact O-C 3.54Å; R77-L123 WeakPolarHBondContact O-CA 3.2Å; R77-M124 PolarHBondContact N-O 2.79Å; R77-M124 PolarHBondContact O-N 3.29Å
78Q98.8Very high97.4Very high6 Ų636.6 Ų36.63%0.02820%0.199CC..EExtended strand (participates in β ladder)trans-50.5127.5174.2-60.890.9-22.700110.3T19 R21 I80 L81 A82 L121 D122 L123T19-Q78 PolarHBondContact O-NE2 3.09Å; R21-Q78 WeakPolarHBondContact O-CG 3.35Å; R21-Q78 PolarHBondContact O-NE2 3.34Å; Q78-I80 VanDerWaalsContact C-N 3.28Å; Q78-I80 PolarHBondContact O-N 2.94Å; Q78-L81 HydrophobicContact CB-CB 4.41Å; Q78-L81 HydrophobicContact CB-CD1 4.4Å; Q78-L81 HydrophobicContact CB-CG 4.44Å; Q78-L81 CarbonylContact O-C 3.55Å; Q78-L81 PolarHBondContact O-N 3.2Å; Q78-A82 WeakPolarHBondContact O-CB 3.33Å; Q78-A82 PolarHBondContact O-N 3.15Å; Q78-L121 HydrophobicContact CG-CB 4.44Å; Q78-L121 HydrophobicContact CG-CD2 4.19Å; Q78-D122 CarbonylContact C-O 3.57Å; Q78-D122 WeakPolarHBondContact CA-O 3.31Å; Q78-L123 HydrophobicContact CG-CD2 4.36Å
79A98.8Very high97.3Very high0 Ų037.7 Ų37.70%021%0.209CC..Hα-helixtrans-56.7-39.6-17100000113R77 L81 A82 F83 M110 L118 P120 D122 M124R77-A79 PolarHBondContact O-N 3.45Å; A79-L81 VanDerWaalsContact C-N 3.26Å; A79-L81 PolarHBondContact O-N 3.22Å; A79-A82 PolarHBondContact O-N 2.91Å; A79-F83 HydrophobicContact CB-CD2 4.39Å; A79-F83 HydrophobicContact CB-CE2 4.09Å; A79-F83 WeakPolarHBondContact O-CD2 3.49Å; A79-F83 PolarHBondContact O-N 3.14Å; A79-F83 VanDerWaalsContact O-N 3.09Å; A79-M110 HydrophobicContact CB-CE 3.31Å; A79-M110 HydrophobicContact CB-SD 4.1Å; A79-L118 HydrophobicContact CB-CB 4.28Å; A79-L118 HydrophobicContact CB-CD1 3.9Å; A79-P120 PolarHBondContact N-O 3.41Å; A79-D122 WeakPolarHBondContact CB-O 3.34Å; A79-D122 PolarHBondContact N-O 3.23Å; A79-M124 HydrophobicContact CB-CE 4.5Å; A79-M124 HydrophobicContact CB-CG 4.05Å; A79-M124 HydrophobicContact CB-SD 3.94Å
80I98.7Very high97.2Very high3 Ų335.5 Ų35.52%0.01520%0.195CC..Hα-helixtrans-65.8-27.2178.2-158.8176.6000113.2Q78 L91 A93 F96 F101 L108 M110 P120Q78-I80 VanDerWaalsContact C-N 3.28Å; Q78-I80 PolarHBondContact O-N 2.94Å; I80-L91 HydrophobicContact CD1-CD2 3.89Å; I80-L91 HydrophobicContact CG1-CD2 3.78Å; I80-A93 HydrophobicContact CD1-CB 3.81Å; I80-A93 HydrophobicContact CG1-CB 3.64Å; I80-A93 HydrophobicContact CG2-CB 4.49Å; I80-F96 HydrophobicContact CD1-CE2 4.02Å; I80-F101 HydrophobicContact CG2-CE1 4.02Å; I80-L108 HydrophobicContact CD1-CD2 3.96Å; I80-M110 HydrophobicContact CB-CE 4.41Å; I80-M110 HydrophobicContact CB-SD 4.4Å; I80-P120 HydrophobicContact CB-CB 3.94Å; I80-P120 WeakPolarHBondContact CB-O 3.5Å; I80-P120 HydrophobicContact CD1-CB 3.95Å; I80-P120 HydrophobicContact CD1-CG 4.32Å; I80-P120 HydrophobicContact CG1-CB 4.48Å; I80-P120 HydrophobicContact CG2-CB 3.99Å; I80-P120 VanDerWaalsContact CG2-O 3.29Å; I80-P120 WeakPolarHBondContact CG2-O 3.02Å; I80-P120 PolarHBondContact N-O 3.41Å
81L98.5Very high97.3Very high6 Ų629.7 Ų29.73%0.03116%0.164CC..Hα-helixtrans-93.5-20.5178.7-63.8-179.1000112.7L17 T19 R77 Q78 A79 K84 A93 F101L17-L81 HydrophobicContact CD2-CD1 3.96Å; T19-L81 HydrophobicContact CG2-CD1 4.32Å; R77-L81 HydrophobicContact CG-CB 4.32Å; Q78-L81 HydrophobicContact CB-CB 4.41Å; Q78-L81 HydrophobicContact CB-CD1 4.4Å; Q78-L81 HydrophobicContact CB-CG 4.44Å; Q78-L81 CarbonylContact O-C 3.55Å; Q78-L81 PolarHBondContact O-N 3.2Å; A79-L81 VanDerWaalsContact C-N 3.26Å; A79-L81 PolarHBondContact O-N 3.22Å; L81-K84 WeakPolarHBondContact O-CE 3.47Å; L81-K84 PolarHBondContact O-NZ 2.66Å; L81-A93 HydrophobicContact CD2-CB 4.23Å; L81-F101 HydrophobicContact CD2-CE1 4.27Å; L81-F101 HydrophobicContact CD2-CZ 4.1Å
82A98.5Very high97.2Very high0 Ų031.1 Ų31.10%017%0.171CC..Hα-helixtrans-86.7-39.9-18000000113.2L11 D12 R77 Q78 A79 M124L11-A82 CarbonylContact C-O 3.6Å; L11-A82 WeakPolarHBondContact CA-O 3.48Å; D12-A82 PolarHBondContact N-O 3.04Å; D12-A82 WeakPolarHBondContact O-CA 3.46Å; R77-A82 HydrophobicContact CB-CB 4.01Å; R77-A82 HydrophobicContact CG-CB 3.85Å; Q78-A82 WeakPolarHBondContact O-CB 3.33Å; Q78-A82 PolarHBondContact O-N 3.15Å; A79-A82 PolarHBondContact O-N 2.91Å; A82-M124 HydrophobicContact CB-CE 3.33Å; A82-M124 HydrophobicContact CB-CG 4.4Å
83F98.6Very high97.2Very high0 Ų028.9 Ų28.90%016%0.157CC..EExtended strand (participates in β ladder)trans-70.3134177.8-71-60.7000112.1P7 A8 L11 A79 Y88 M110 L118 M124 Y127P7-F83 HydrophobicContact CB-CD1 4.05Å; P7-F83 HydrophobicContact CB-CE1 3.39Å; P7-F83 HydrophobicContact CB-CE2 4.01Å; P7-F83 HydrophobicContact CB-CZ 3.37Å; A8-F83 HydrophobicContact CB-CB 4.23Å; A8-F83 HydrophobicContact CB-CD1 4.3Å; A8-F83 VanDerWaalsContact N-CD1 3.32Å; A8-F83 WeakPolarHBondContact O-CD1 3.41Å; L11-F83 HydrophobicContact CD2-CD1 3.37Å; L11-F83 HydrophobicContact CD2-CE1 3.71Å; L11-F83 HydrophobicContact CD2-CG 4.31Å; A79-F83 HydrophobicContact CB-CD2 4.39Å; A79-F83 HydrophobicContact CB-CE2 4.09Å; A79-F83 WeakPolarHBondContact O-CD2 3.49Å; A79-F83 PolarHBondContact O-N 3.14Å; A79-F83 VanDerWaalsContact O-N 3.09Å; F83-Y88 HydrophobicContact CB-CD1 3.66Å; F83-Y88 HydrophobicContact CB-CD2 3.75Å; F83-Y88 HydrophobicContact CB-CE1 3.36Å; F83-Y88 HydrophobicContact CB-CE2 3.46Å; F83-Y88 VanDerWaalsContact CB-CE2 3.46Å; F83-Y88 HydrophobicContact CB-CG 3.84Å; F83-Y88 AromaticContact CD2-CE1 3.94Å; F83-Y88 HydrophobicContact CD2-CE1 3.94Å; F83-Y88 HydrophobicContact CD2-CE2 4.47Å; F83-Y88 AromaticContact CD2-CZ 3.63Å; F83-Y88 WeakPolarHBondContact CD2-OH 3.46Å; F83-Y88 HydrophobicContact CG-CE1 4.04Å; F83-Y88 HydrophobicContact CG-CE2 4.04Å; F83-Y88 AromaticContact CG-CZ 3.62Å; F83-Y88 WeakPolarHBondContact CG-OH 3.48Å; F83-Y88 WeakPolarHBondContact O-CB 3.31Å; F83-M110 HydrophobicContact CD2-SD 3.76Å; F83-M110 HydrophobicContact CE2-CB 4.45Å; F83-M110 HydrophobicContact CE2-SD 4.02Å; F83-L118 HydrophobicContact CE2-CD1 4.26Å; F83-L118 HydrophobicContact CZ-CD1 4.44Å; F83-M124 HydrophobicContact CD1-CE 3.66Å; F83-M124 HydrophobicContact CD2-CE 3.73Å; F83-M124 HydrophobicContact CD2-SD 4.33Å; F83-M124 HydrophobicContact CE1-CE 3.51Å; F83-M124 HydrophobicContact CE1-SD 3.97Å; F83-M124 HydrophobicContact CE2-CE 3.6Å; F83-M124 HydrophobicContact CE2-SD 3.62Å; F83-M124 HydrophobicContact CG-CE 3.75Å; F83-M124 HydrophobicContact CZ-CE 3.47Å; F83-M124 VanDerWaalsContact CZ-CE 3.47Å; F83-M124 HydrophobicContact CZ-SD 3.39Å; F83-M124 WeakPolarHBondContact CZ-SD 3.22Å; F83-Y127 HydrophobicContact CE1-CE1 4.24Å; F83-Y127 HydrophobicContact CZ-CE1 4.24Å
84K97.7Very high97.2Very high56 Ų5629.6 Ų29.624%0.24316%0.155CC..EExtended strand (participates in β ladder)trans-131.2147.2176.2-59.3-63176.7-172.70111.5A8 T10 D12 L81A8-K84 WeakPolarHBondContact CB-O 3.4Å; T10-K84 WeakPolarHBondContact CB-O 3.2Å; T10-K84 HydrophobicContact CG2-CB 4.11Å; T10-K84 PolarHBondContact O-N 2.91Å; T10-K84 VanDerWaalsContact O-O 3.08Å; D12-K84 HydrophobicContact CB-CD 4.2Å; D12-K84 HydrophobicContact CB-CG 3.55Å; D12-K84 WeakPolarHBondContact OD2-CE 3.45Å; D12-K84 IonicContact OD2-NZ 3.04Å; L81-K84 WeakPolarHBondContact O-CE 3.47Å; L81-K84 PolarHBondContact O-NZ 2.66Å
85G95.5Very high97.3Very high26 Ų2625.1 Ų25.127%0.26814%0.139SC..SBendtrans137.8179.4-178.200000111.3V87 Y88 T89G85-V87 VanDerWaalsContact C-N 3.33Å; G85-V87 PolarHBondContact O-N 2.75Å; G85-Y88 CarbonylContact O-C 3.23Å; G85-Y88 WeakPolarHBondContact O-CA 3.09Å; G85-Y88 PolarHBondContact O-N 2.87Å; G85-T89 PolarHBondContact O-N 3.44Å; G85-T89 PolarHBondContact O-OG1 3.08Å
86D94.9Very high97.3Very high47 Ų4723 Ų2325%0.25113%0.127SC..Hα-helixtrans-44.7-47.4-166.6-51.7-30.9000115.6G90 F206 K209 K210D86-G90 PolarHBondContact O-N 2.8Å; D86-G90 VanDerWaalsContact O-N 3.08Å; D86-F206 WeakPolarHBondContact OD1-CD2 3.27Å; D86-F206 WeakPolarHBondContact OD1-CE2 3.04Å; D86-K209 HydrophobicContact CB-CB 3.47Å; D86-K209 VanDerWaalsContact CB-CB 3.47Å; D86-K209 HydrophobicContact CB-CD 4Å; D86-K209 HydrophobicContact CB-CG 4.42Å; D86-K209 WeakPolarHBondContact OD2-CD 3.47Å; D86-K209 IonicContact OD2-NZ 3.75Å; D86-K210 WeakPolarHBondContact O-CA 3.47Å
87V96.5Very high97.3Very high17 Ų1725.4 Ų25.410%0.10314%0.143CC..Hα-helixtrans-63.3-46177.1179.90000110.9I5 G85 G90 L91 K209 R212 G213I5-V87 HydrophobicContact CB-CG1 4.45Å; I5-V87 HydrophobicContact CD1-CG1 4.47Å; I5-V87 HydrophobicContact CG2-CG1 4.42Å; G85-V87 VanDerWaalsContact C-N 3.33Å; G85-V87 PolarHBondContact O-N 2.75Å; V87-G90 PolarHBondContact O-N 3.33Å; V87-L91 PolarHBondContact O-N 3.17Å; V87-K209 WeakPolarHBondContact CA-O 3.16Å; V87-K209 HydrophobicContact CG2-CB 3.89Å; V87-K209 HydrophobicContact CG2-CG 4.27Å; V87-K209 WeakPolarHBondContact CG2-O 3.5Å; V87-R212 HydrophobicContact CG1-CB 4.47Å; V87-G213 WeakPolarHBondContact O-CA 3.49Å
88Y98Very high97.3Very high10 Ų1028.2 Ų28.24%0.03916%0.157CC..Hα-helixtrans-74.7-29.6-177.6-64.7-90000112.1I5 S6 P7 A8 F83 G85 G90 L91 Q92 M110I5-Y88 HydrophobicContact CD1-CE1 4.08Å; S6-Y88 PolarHBondContact O-OH 3.46Å; S6-Y88 VanDerWaalsContact O-OH 3.14Å; P7-Y88 WeakPolarHBondContact CA-OH 3.48Å; A8-Y88 HydrophobicContact CB-CD2 3.72Å; A8-Y88 HydrophobicContact CB-CE2 3.69Å; F83-Y88 HydrophobicContact CB-CD1 3.66Å; F83-Y88 HydrophobicContact CB-CD2 3.75Å; F83-Y88 HydrophobicContact CB-CE1 3.36Å; F83-Y88 HydrophobicContact CB-CE2 3.46Å; F83-Y88 VanDerWaalsContact CB-CE2 3.46Å; F83-Y88 HydrophobicContact CB-CG 3.84Å; F83-Y88 AromaticContact CD2-CE1 3.94Å; F83-Y88 HydrophobicContact CD2-CE1 3.94Å; F83-Y88 HydrophobicContact CD2-CE2 4.47Å; F83-Y88 AromaticContact CD2-CZ 3.63Å; F83-Y88 WeakPolarHBondContact CD2-OH 3.46Å; F83-Y88 HydrophobicContact CG-CE1 4.04Å; F83-Y88 HydrophobicContact CG-CE2 4.04Å; F83-Y88 AromaticContact CG-CZ 3.62Å; F83-Y88 WeakPolarHBondContact CG-OH 3.48Å; F83-Y88 WeakPolarHBondContact O-CB 3.31Å; G85-Y88 CarbonylContact O-C 3.23Å; G85-Y88 WeakPolarHBondContact O-CA 3.09Å; G85-Y88 PolarHBondContact O-N 2.87Å; Y88-G90 VanDerWaalsContact C-N 3.3Å; Y88-G90 PolarHBondContact O-N 2.89Å; Y88-L91 HydrophobicContact CD1-CD2 4.28Å; Y88-L91 PolarHBondContact O-N 2.92Å; Y88-Q92 PolarHBondContact O-N 3.09Å; Y88-M110 HydrophobicContact CE1-SD 3.96Å
89T95.3Very high97.3Very high80 Ų8033 Ų3349%0.49118%0.183SC..Hα-helixtrans-66-31168.8-58.70000112.2G85 Q92G85-T89 PolarHBondContact O-N 3.44Å; G85-T89 PolarHBondContact O-OG1 3.08Å; T89-Q92 WeakPolarHBondContact O-CG 3.27Å
90G93.7Very high97.3Very high0 Ų033.8 Ų33.80%019%0.187CC..Hα-helixtrans-76.8-30.7170.200000113.2D86 V87 Y88 G213 L214D86-G90 PolarHBondContact O-N 2.8Å; D86-G90 VanDerWaalsContact O-N 3.08Å; V87-G90 PolarHBondContact O-N 3.33Å; Y88-G90 VanDerWaalsContact C-N 3.3Å; Y88-G90 PolarHBondContact O-N 2.89Å; G90-G213 VanDerWaalsContact C-C 3.44Å; G90-G213 CarbonylContact O-C 3.58Å; G90-L214 WeakPolarHBondContact O-CD2 3.3Å; G90-L214 PolarHBondContact O-N 3.46Å
91L97.2Very high97.3Very high1 Ų133.6 Ų33.61%0.00519%0.187CC..Hα-helixtrans-73.4-41179.7-175.661.1000112.3I5 I80 V87 Y88 A93 F96 L108 R217 I220I5-L91 HydrophobicContact CD1-CD2 4.45Å; I80-L91 HydrophobicContact CD1-CD2 3.89Å; I80-L91 HydrophobicContact CG1-CD2 3.78Å; V87-L91 PolarHBondContact O-N 3.17Å; Y88-L91 HydrophobicContact CD1-CD2 4.28Å; Y88-L91 PolarHBondContact O-N 2.92Å; L91-A93 VanDerWaalsContact C-N 3.33Å; L91-A93 HydrophobicContact CD2-CB 4.39Å; L91-A93 HydrophobicContact CG-CB 4.34Å; L91-A93 PolarHBondContact O-N 2.94Å; L91-F96 HydrophobicContact CD1-CE2 4.41Å; L91-F96 HydrophobicContact CD1-CZ 3.73Å; L91-F96 HydrophobicContact CG-CZ 4.16Å; L91-L108 HydrophobicContact CD2-CD2 4.38Å; L91-R217 HydrophobicContact CD1-CB 4.22Å; L91-R217 PolarHBondContact O-NH1 3Å; L91-R217 VanDerWaalsContact O-NH1 3.07Å; L91-I220 HydrophobicContact CD1-CD1 4.04Å
92Q96.6Very high97.3Very high42 Ų4237 Ų3720%0.19621%0.205CC..  trans50.449.1-179.2-54.7-176.7-85.700112.7Y88 T89 E94 T95 R217Y88-Q92 PolarHBondContact O-N 3.09Å; T89-Q92 WeakPolarHBondContact O-CG 3.27Å; Q92-E94 VanDerWaalsContact C-OE2 3.28Å; Q92-E94 WeakPolarHBondContact CA-OE1 3.33Å; Q92-E94 WeakPolarHBondContact CA-OE2 3.48Å; Q92-E94 PolarHBondContact O-N 3.29Å; Q92-E94 VanDerWaalsContact O-N 3.1Å; Q92-T95 HydrophobicContact CB-CG2 4.46Å; Q92-T95 PolarHBondContact O-N 2.79Å; Q92-T95 PolarHBondContact O-OG1 3.39Å; Q92-R217 PolarHBondContact O-NH1 3.26Å
93A97.9Very high97.3Very high2 Ų238 Ų382%0.01721%0.209CC..G310 helixtrans-60.8-20.9-176.200000113.1I80 L81 L91 T95 F96 F101I80-A93 HydrophobicContact CD1-CB 3.81Å; I80-A93 HydrophobicContact CG1-CB 3.64Å; I80-A93 HydrophobicContact CG2-CB 4.49Å; L81-A93 HydrophobicContact CD2-CB 4.23Å; L91-A93 VanDerWaalsContact C-N 3.33Å; L91-A93 HydrophobicContact CD2-CB 4.39Å; L91-A93 HydrophobicContact CG-CB 4.34Å; L91-A93 PolarHBondContact O-N 2.94Å; A93-T95 PolarHBondContact O-N 2.9Å; A93-T95 VanDerWaalsContact O-N 3.15Å; A93-F96 HydrophobicContact CB-CD2 4.24Å; A93-F96 HydrophobicContact CB-CE2 4.25Å; A93-F96 WeakPolarHBondContact O-CB 3.42Å; A93-F96 PolarHBondContact O-N 3Å; A93-F96 VanDerWaalsContact O-N 3.15Å; A93-F101 WeakPolarHBondContact O-CZ 3.4Å
94E96.6Very high97.3Very high82 Ų8238 Ų3838%0.38321%0.209SC..G310 helixtrans-62.1-15.4172.265.5-78.9179.900114.1T18 Q92T18-E94 VanDerWaalsContact CG2-O 3.3Å; T18-E94 WeakPolarHBondContact CG2-O 3.26Å; T18-E94 WeakPolarHBondContact OG1-CA 3.21Å; T18-E94 PolarHBondContact OG1-O 3.42Å; Q92-E94 VanDerWaalsContact C-OE2 3.28Å; Q92-E94 WeakPolarHBondContact CA-OE1 3.33Å; Q92-E94 WeakPolarHBondContact CA-OE2 3.48Å; Q92-E94 PolarHBondContact O-N 3.29Å; Q92-E94 VanDerWaalsContact O-N 3.1Å
95T97.1Very high97.3Very high71 Ų7136.7 Ų36.744%0.43620%0.204SC..G310 helixtrans-103.14.8178.2650000113.4Q92 A93 R217Q92-T95 HydrophobicContact CB-CG2 4.46Å; Q92-T95 PolarHBondContact O-N 2.79Å; Q92-T95 PolarHBondContact O-OG1 3.39Å; A93-T95 PolarHBondContact O-N 2.9Å; A93-T95 VanDerWaalsContact O-N 3.15Å; T95-R217 PolarHBondContact OG1-NH1 3.37Å; T95-R217 PolarHBondContact OG1-NH2 3.14Å
96F98.3Very high97.4Very high7 Ų739.9 Ų39.93%0.03121%0.212CC..  trans-71.6139.5-179-77.65.3000111.9T18 I80 L91 A93 N100 F101 A104 R217 I220T18-F96 WeakPolarHBondContact CG2-O 3.24Å; I80-F96 HydrophobicContact CD1-CE2 4.02Å; L91-F96 HydrophobicContact CD1-CE2 4.41Å; L91-F96 HydrophobicContact CD1-CZ 3.73Å; L91-F96 HydrophobicContact CG-CZ 4.16Å; A93-F96 HydrophobicContact CB-CD2 4.24Å; A93-F96 HydrophobicContact CB-CE2 4.25Å; A93-F96 WeakPolarHBondContact O-CB 3.42Å; A93-F96 PolarHBondContact O-N 3Å; A93-F96 VanDerWaalsContact O-N 3.15Å; F96-N100 HydrophobicContact CB-CB 3.7Å; F96-N100 HydrophobicContact CD1-CB 4.22Å; F96-N100 HydrophobicContact CD2-CB 4.01Å; F96-N100 HydrophobicContact CG-CB 3.73Å; F96-F101 HydrophobicContact CB-CD1 4.47Å; F96-F101 HydrophobicContact CB-CD2 4.05Å; F96-F101 HydrophobicContact CB-CE1 4.21Å; F96-F101 HydrophobicContact CB-CE2 3.77Å; F96-F101 HydrophobicContact CB-CG 4.38Å; F96-F101 HydrophobicContact CB-CZ 3.85Å; F96-F101 HydrophobicContact CD2-CD1 4.2Å; F96-F101 HydrophobicContact CD2-CE1 4.16Å; F96-A104 HydrophobicContact CE2-CB 4.32Å; F96-R217 HydrophobicContact CE1-CG 4.24Å; F96-I220 HydrophobicContact CE2-CD1 4.04Å; F96-I220 HydrophobicContact CE2-CG2 4.05Å; F96-I220 HydrophobicContact CZ-CB 4.48Å; F96-I220 HydrophobicContact CZ-CD1 4Å; F96-I220 HydrophobicContact CZ-CG2 4.05Å
97S98.1Very high97.6Very high56 Ų5638.3 Ų38.339%0.39220%0.203SC..  trans-71.7167.7161.463.70000111D99 N100 F101S97-D99 VanDerWaalsContact C-N 3.28Å; S97-D99 PolarHBondContact O-N 3.36Å; S97-N100 WeakPolarHBondContact O-CB 3.44Å; S97-N100 PolarHBondContact O-N 3.28Å; S97-N100 VanDerWaalsContact OG-CG 3.31Å; S97-N100 PolarHBondContact OG-N 3.42Å; S97-F101 WeakPolarHBondContact O-CD2 3.4Å; S97-F101 PolarHBondContact O-N 2.8Å
98E98.1Very high97.7Very high80 Ų8037.5 Ų37.537%0.37420%0.198SC..Hα-helixtrans-58.5-39.5174.4-69.6-62.3154.100112.2T19 R21 N100 F101 D102T19-E98 VanDerWaalsContact CB-OE1 3.27Å; T19-E98 WeakPolarHBondContact CB-OE1 3.07Å; T19-E98 PolarHBondContact OG1-OE1 2.77Å; T19-E98 PolarHBondContact OG1-OE2 2.93Å; R21-E98 IonicContact CZ-OE2 3.55Å; R21-E98 IonicContact NE-OE2 2.91Å; R21-E98 PolarHBondContact NE-OE2 3.06Å; R21-E98 PolarHBondContact NH2-O 3.14Å; R21-E98 IonicContact NH2-OE2 2.86Å; R21-E98 PolarHBondContact NH2-OE2 2.81Å; E98-N100 VanDerWaalsContact C-N 3.29Å; E98-N100 PolarHBondContact O-N 3.23Å; E98-F101 WeakPolarHBondContact O-CB 3.5Å; E98-F101 PolarHBondContact O-N 2.81Å; E98-F101 VanDerWaalsContact O-N 3.12Å; E98-D102 PolarHBondContact O-N 2.91Å
99D98.4Very high97.7Very high107 Ų10738.1 Ų38.157%0.57220%0.2SC*.Hα-helixtrans-64.3-33.9175-60.6-17000112.3S97 D102 F103 R223S97-D99 VanDerWaalsContact C-N 3.28Å; S97-D99 PolarHBondContact O-N 3.36Å; D99-D102 PolarHBondContact O-N 3.05Å; D99-F103 PolarHBondContact O-N 2.97Å; D99-R223 PolarHBondContact O-NH2 3.21Å
100N98.6Very high97.9Very high16 Ų1634.3 Ų34.39%0.08618%0.177CC..Hα-helixtrans-68.4-38.4175.2-72.2-11.3000110.5F96 S97 E98 A104 I220 R223F96-N100 HydrophobicContact CB-CB 3.7Å; F96-N100 HydrophobicContact CD1-CB 4.22Å; F96-N100 HydrophobicContact CD2-CB 4.01Å; F96-N100 HydrophobicContact CG-CB 3.73Å; S97-N100 WeakPolarHBondContact O-CB 3.44Å; S97-N100 PolarHBondContact O-N 3.28Å; S97-N100 VanDerWaalsContact OG-CG 3.31Å; S97-N100 PolarHBondContact OG-N 3.42Å; E98-N100 VanDerWaalsContact C-N 3.29Å; E98-N100 PolarHBondContact O-N 3.23Å; N100-A104 WeakPolarHBondContact O-CB 3.41Å; N100-A104 PolarHBondContact O-N 2.85Å; N100-I220 HydrophobicContact CB-CG2 4.15Å; N100-R223 PolarHBondContact OD1-NH1 2.96Å; N100-R223 PolarHBondContact OD1-NH2 3.47Å
101F98.7Very high98.1Very high0 Ų034.3 Ų34.30%018%0.177CC..Hα-helixtrans-64.4-40.9172-77.6-61.6000112.1T18 T19 R21 I80 L81 A93 F96 S97 E98 A104 Q105 L121T18-F101 HydrophobicContact CG2-CE2 4.06Å; T18-F101 HydrophobicContact CG2-CZ 4.47Å; T19-F101 HydrophobicContact CG2-CD1 4.3Å; T19-F101 HydrophobicContact CG2-CD2 3.88Å; T19-F101 HydrophobicContact CG2-CE1 4.17Å; T19-F101 HydrophobicContact CG2-CE2 3.74Å; T19-F101 HydrophobicContact CG2-CG 4.17Å; T19-F101 HydrophobicContact CG2-CZ 3.9Å; R21-F101 VanDerWaalsContact NH2-CB 3.35Å; I80-F101 HydrophobicContact CG2-CE1 4.02Å; L81-F101 HydrophobicContact CD2-CE1 4.27Å; L81-F101 HydrophobicContact CD2-CZ 4.1Å; A93-F101 WeakPolarHBondContact O-CZ 3.4Å; F96-F101 HydrophobicContact CB-CD1 4.47Å; F96-F101 HydrophobicContact CB-CD2 4.05Å; F96-F101 HydrophobicContact CB-CE1 4.21Å; F96-F101 HydrophobicContact CB-CE2 3.77Å; F96-F101 HydrophobicContact CB-CG 4.38Å; F96-F101 HydrophobicContact CB-CZ 3.85Å; F96-F101 HydrophobicContact CD2-CD1 4.2Å; F96-F101 HydrophobicContact CD2-CE1 4.16Å; S97-F101 WeakPolarHBondContact O-CD2 3.4Å; S97-F101 PolarHBondContact O-N 2.8Å; E98-F101 WeakPolarHBondContact O-CB 3.5Å; E98-F101 PolarHBondContact O-N 2.81Å; E98-F101 VanDerWaalsContact O-N 3.12Å; F101-A104 PolarHBondContact O-N 2.86Å; F101-Q105 WeakPolarHBondContact O-CB 3.25Å; F101-Q105 PolarHBondContact O-N 3.45Å; F101-L121 HydrophobicContact CD1-CD2 3.88Å; F101-L121 HydrophobicContact CE1-CD2 4.44Å; F101-L121 HydrophobicContact CG-CD2 4.41Å
102D98.3Very high98.2Very high77 Ų7734.3 Ų34.341%0.41218%0.177SC..Hα-helixtrans-62.6-48.1177.8-72.3-12.6000111.5R21 E98 D99 Q105 Q106R21-D102 IonicContact CZ-OD1 3.78Å; R21-D102 IonicContact NH1-OD1 3.34Å; R21-D102 PolarHBondContact NH1-OD1 3.1Å; R21-D102 IonicContact NH2-OD1 3.23Å; R21-D102 PolarHBondContact NH2-OD1 2.68Å; E98-D102 PolarHBondContact O-N 2.91Å; D99-D102 PolarHBondContact O-N 3.05Å; D102-Q105 PolarHBondContact O-N 3.15Å; D102-Q106 PolarHBondContact O-N 2.92Å
103F98.3Very high98.3Very high21 Ų2132.3 Ų32.39%0.09217%0.167CC..Hα-helixtrans-63.1-45.6176.5-171.9-89.9000111.7D99 Q105 Q106 H107 I219 I220 R223D99-F103 PolarHBondContact O-N 2.97Å; F103-Q105 VanDerWaalsContact C-N 3.31Å; F103-Q105 PolarHBondContact O-N 3.15Å; F103-Q106 PolarHBondContact O-N 2.6Å; F103-H107 HydrophobicContact CD1-CB 4.2Å; F103-H107 AromaticContact CD1-CD2 3.88Å; F103-H107 AromaticContact CD2-CD2 3.41Å; F103-H107 VanDerWaalsContact CD2-CD2 3.41Å; F103-H107 WeakPolarHBondContact CD2-CD2 3.45Å; F103-H107 AromaticContact CD2-NE2 3.91Å; F103-H107 HydrophobicContact CE1-CB 3.86Å; F103-H107 AromaticContact CE1-CD2 3.71Å; F103-H107 AromaticContact CE1-CG 3.95Å; F103-H107 AromaticContact CE2-CD2 3.25Å; F103-H107 WeakPolarHBondContact CE2-CD2 3.3Å; F103-H107 AromaticContact CE2-NE2 3.55Å; F103-H107 AromaticContact CG-CD2 3.77Å; F103-H107 HydrophobicContact CZ-CB 4.24Å; F103-H107 AromaticContact CZ-CD2 3.4Å; F103-H107 VanDerWaalsContact CZ-CD2 3.4Å; F103-H107 WeakPolarHBondContact CZ-CD2 3.21Å; F103-H107 AromaticContact CZ-CG 3.84Å; F103-H107 AromaticContact CZ-NE2 3.98Å; F103-H107 WeakPolarHBondContact O-CB 3.37Å; F103-H107 PolarHBondContact O-CD2 3.39Å; F103-H107 PolarHBondContact O-N 3.42Å; F103-I219 HydrophobicContact CE1-CG2 4.37Å; F103-I220 HydrophobicContact CD1-CB 4.16Å; F103-I220 HydrophobicContact CD1-CG1 4.11Å; F103-I220 HydrophobicContact CD1-CG2 4.17Å; F103-I220 HydrophobicContact CE1-CG1 4.44Å; F103-R223 HydrophobicContact CD2-CB 4.34Å; F103-R223 HydrophobicContact CD2-CG 4.32Å; F103-R223 HydrophobicContact CE2-CB 3.97Å; F103-R223 HydrophobicContact CE2-CG 4.44Å; F103-R223 HydrophobicContact CZ-CB 4.4Å
104A98.6Very high98.3Very high0 Ų032.2 Ų32.20%017%0.167CC..Hα-helixtrans-59.8-44176.700000111F96 N100 F101 Q106 H107 L108 P120 I220F96-A104 HydrophobicContact CE2-CB 4.32Å; N100-A104 WeakPolarHBondContact O-CB 3.41Å; N100-A104 PolarHBondContact O-N 2.85Å; F101-A104 PolarHBondContact O-N 2.86Å; A104-Q106 PolarHBondContact O-N 3.37Å; A104-H107 PolarHBondContact O-N 2.93Å; A104-L108 VanDerWaalsContact O-CB 3.3Å; A104-L108 WeakPolarHBondContact O-CB 3.2Å; A104-L108 PolarHBondContact O-N 2.93Å; A104-P120 HydrophobicContact CB-CB 4.46Å; A104-P120 HydrophobicContact CB-CG 4.08Å; A104-P120 WeakPolarHBondContact O-CG 3.46Å; A104-I220 HydrophobicContact CB-CD1 3.87Å; A104-I220 HydrophobicContact CB-CG1 4.26Å; A104-I220 HydrophobicContact CB-CG2 4.32Å
105Q98.5Very high98.4Very high28 Ų2828.3 Ų28.313%0.13115%0.148CC..Hα-helixtrans-58.6-35.7-178-175.166.9-8.900111.9T23 F101 D102 F103 R109 L121T23-Q105 PolarHBondContact OG1-NE2 3.18Å; F101-Q105 WeakPolarHBondContact O-CB 3.25Å; F101-Q105 PolarHBondContact O-N 3.45Å; D102-Q105 PolarHBondContact O-N 3.15Å; F103-Q105 VanDerWaalsContact C-N 3.31Å; F103-Q105 PolarHBondContact O-N 3.15Å; Q105-R109 PolarHBondContact O-NH1 3.48Å; Q105-R109 VanDerWaalsContact O-NH1 3.16Å; Q105-L121 HydrophobicContact CB-CD1 4.41Å; Q105-L121 HydrophobicContact CG-CD1 4.26Å; Q105-L121 HydrophobicContact CG-CG 4.45Å
106Q97.6Very high98.5Very high94 Ų9424.9 Ų24.944%0.43913%0.128SC..Hα-helixtrans-77.1-47.2173.8-171.5170.7-0.200112.3D102 F103 A104 R109 Q162D102-Q106 PolarHBondContact O-N 2.92Å; F103-Q106 PolarHBondContact O-N 2.6Å; A104-Q106 PolarHBondContact O-N 3.37Å; Q106-R109 PolarHBondContact O-NH1 3.4Å; Q106-Q162 HydrophobicContact CG-CB 4.38Å
107H98.3Very high98.5Very high13 Ų1324.9 Ų24.96%0.0613%0.128CC..Hα-helixtrans-105.60.9-163.3-66.2-67.8000116.3M1 L2 I3 F103 A104 Q162M1-H107 WeakPolarHBondContact O-CB 3.34Å; M1-H107 PolarHBondContact O-ND1 2.93Å; M1-H107 VanDerWaalsContact O-ND1 3.09Å; L2-H107 CarbonylContact C-O 3.59Å; L2-H107 WeakPolarHBondContact CA-O 3.4Å; I3-H107 PolarHBondContact N-O 3.26Å; F103-H107 HydrophobicContact CD1-CB 4.2Å; F103-H107 AromaticContact CD1-CD2 3.88Å; F103-H107 AromaticContact CD2-CD2 3.41Å; F103-H107 VanDerWaalsContact CD2-CD2 3.41Å; F103-H107 WeakPolarHBondContact CD2-CD2 3.45Å; F103-H107 AromaticContact CD2-NE2 3.91Å; F103-H107 HydrophobicContact CE1-CB 3.86Å; F103-H107 AromaticContact CE1-CD2 3.71Å; F103-H107 AromaticContact CE1-CG 3.95Å; F103-H107 AromaticContact CE2-CD2 3.25Å; F103-H107 WeakPolarHBondContact CE2-CD2 3.3Å; F103-H107 AromaticContact CE2-NE2 3.55Å; F103-H107 AromaticContact CG-CD2 3.77Å; F103-H107 HydrophobicContact CZ-CB 4.24Å; F103-H107 AromaticContact CZ-CD2 3.4Å; F103-H107 VanDerWaalsContact CZ-CD2 3.4Å; F103-H107 WeakPolarHBondContact CZ-CD2 3.21Å; F103-H107 AromaticContact CZ-CG 3.84Å; F103-H107 AromaticContact CZ-NE2 3.98Å; F103-H107 WeakPolarHBondContact O-CB 3.37Å; F103-H107 PolarHBondContact O-CD2 3.39Å; F103-H107 PolarHBondContact O-N 3.42Å; A104-H107 PolarHBondContact O-N 2.93Å; H107-Q162 PolarHBondContact ND1-OE1 2.82Å
108L98.7Very high98.6Very high0 Ų022.2 Ų22.20%011%0.109CC..EExtended strand (participates in β ladder)trans-120.6141.2177.4-179.465.2000110.9I3 I5 I80 L91 A104 P120 I220I3-L108 HydrophobicContact CB-CD1 3.62Å; I3-L108 HydrophobicContact CD1-CD1 4.47Å; I3-L108 HydrophobicContact CG2-CD1 3.57Å; I3-L108 CarbonylContact O-C 3.51Å; I5-L108 HydrophobicContact CD1-CD1 4.01Å; I5-L108 HydrophobicContact CD1-CD2 4.18Å; I5-L108 HydrophobicContact CD1-CG 4.48Å; I5-L108 HydrophobicContact CG1-CD1 3.95Å; I5-L108 HydrophobicContact CG2-CD1 4.17Å; I80-L108 HydrophobicContact CD1-CD2 3.96Å; L91-L108 HydrophobicContact CD2-CD2 4.38Å; A104-L108 VanDerWaalsContact O-CB 3.3Å; A104-L108 WeakPolarHBondContact O-CB 3.2Å; A104-L108 PolarHBondContact O-N 2.93Å; L108-P120 HydrophobicContact CB-CG 3.91Å; L108-P120 HydrophobicContact CD2-CG 4.05Å; L108-P120 HydrophobicContact CG-CG 4.2Å; L108-P120 VanDerWaalsContact O-CD 3.28Å; L108-P120 WeakPolarHBondContact O-CD 3.44Å; L108-I220 HydrophobicContact CD2-CD1 4.22Å
109R98.9Very high98.6Very high24 Ų2420.8 Ų20.89%0.09110%0.1CC..EExtended strand (participates in β ladder)trans-133.2136.4169-63.8-66.3-178.9-78.7-0.8110.6L2 I3 L4 I5 Q105 Q106 V117 L118 L155L2-R109 HydrophobicContact CD1-CG 3.89Å; L2-R109 HydrophobicContact CD2-CG 4.35Å; L2-R109 HydrophobicContact CG-CG 4.34Å; I3-R109 PolarHBondContact O-N 3.16Å; L4-R109 WeakPolarHBondContact CA-O 3.43Å; L4-R109 HydrophobicContact CD2-CB 3.81Å; L4-R109 HydrophobicContact CD2-CG 4.47Å; I5-R109 PolarHBondContact N-O 2.98Å; Q105-R109 PolarHBondContact O-NH1 3.48Å; Q105-R109 VanDerWaalsContact O-NH1 3.16Å; Q106-R109 PolarHBondContact O-NH1 3.4Å; R109-V117 HydrophobicContact CB-CG2 3.69Å; R109-V117 HydrophobicContact CG-CG2 4.08Å; R109-L118 CarbonylContact C-O 3.53Å; R109-L118 WeakPolarHBondContact CA-O 3.48Å; R109-L155 HydrophobicContact CB-CD2 4.15Å; R109-L155 HydrophobicContact CG-CD2 3.95Å
110M98.9Very high98.6Very high0 Ų015.7 Ų15.70%07%0.073CC..EExtended strand (participates in β ladder)trans-103.5113.8174.6-66.5164.1-67.300108.8I5 A79 I80 F83 Y88 L118 R119I5-M110 HydrophobicContact CD1-CG 3.73Å; I5-M110 HydrophobicContact CG1-CB 4.39Å; I5-M110 HydrophobicContact CG1-CG 3.63Å; A79-M110 HydrophobicContact CB-CE 3.31Å; A79-M110 HydrophobicContact CB-SD 4.1Å; I80-M110 HydrophobicContact CB-CE 4.41Å; I80-M110 HydrophobicContact CB-SD 4.4Å; F83-M110 HydrophobicContact CD2-SD 3.76Å; F83-M110 HydrophobicContact CE2-CB 4.45Å; F83-M110 HydrophobicContact CE2-SD 4.02Å; Y88-M110 HydrophobicContact CE1-SD 3.96Å; M110-L118 HydrophobicContact CB-CB 4.32Å; M110-L118 HydrophobicContact CE-CB 4.14Å; M110-L118 PolarHBondContact N-O 3.26Å; M110-L118 PolarHBondContact O-N 3.38Å; M110-R119 WeakPolarHBondContact CE-O 3.44Å
111L98.9Very high98.6Very high0 Ų015.1 Ų15.10%07%0.07CC..EExtended strand (participates in β ladder)trans-65.5148.8172.3-62.2177.7000109.5I5 P7 V117 I151 A171 Y175 V179I5-L111 PolarHBondContact O-N 3.14Å; P7-L111 WeakPolarHBondContact CD-O 3.42Å; P7-L111 VanDerWaalsContact CG-O 3.26Å; P7-L111 WeakPolarHBondContact CG-O 3.39Å; L111-V117 HydrophobicContact CD2-CB 4.43Å; L111-V117 HydrophobicContact CD2-CG2 4.34Å; L111-I151 HydrophobicContact CD2-CG2 3.79Å; L111-A171 HydrophobicContact CD1-CB 3.97Å; L111-Y175 HydrophobicContact CB-CD1 4.09Å; L111-Y175 HydrophobicContact CB-CG 4.44Å; L111-V179 HydrophobicContact CD1-CG2 4.18Å; L111-V179 HydrophobicContact CD2-CG2 4.13Å
112S98.7Very high98.6Very high0 Ų015.1 Ų15.10%07%0.07CC..EExtended strand (participates in β ladder)trans-149.1136.2-173.3174.70000110.7L114 Y115 G116 Y127 M131S112-L114 VanDerWaalsContact C-N 3.35Å; S112-L114 PolarHBondContact OG-N 3Å; S112-Y115 WeakPolarHBondContact OG-CB 3.44Å; S112-Y115 PolarHBondContact OG-N 3.3Å; S112-G116 PolarHBondContact N-O 2.88Å; S112-G116 CarbonylContact O-C 3.57Å; S112-G116 WeakPolarHBondContact O-CA 3.06Å; S112-G116 PolarHBondContact O-N 3.04Å; S112-Y127 PolarHBondContact OG-OH 3.36Å; S112-M131 WeakPolarHBondContact O-CE 3.43Å
113G98.6Very high98.7Very high0 Ų011.5 Ų11.50%05%0.051CC..THydrogen-bonded Turntrans-68.4-37.1175.900000112.1L34 L129 W147L34-G113 WeakPolarHBondContact CD1-O 3.38Å; G113-L129 WeakPolarHBondContact CA-O 3.49Å; G113-W147 PolarHBondContact O-NE1 3.18Å
114L98.7Very high98.7Very high0 Ų010.5 Ų10.50%05%0.046CC..THydrogen-bonded Turntrans-89-40.6-178.9177.460.1000113.4S31 L34 I35 S112 Y127 L129 W147S31-L114 WeakPolarHBondContact CA-O 3.13Å; S31-L114 WeakPolarHBondContact CB-O 3.41Å; S31-L114 PolarHBondContact OG-O 3.47Å; S31-L114 VanDerWaalsContact OG-O 3.09Å; L34-L114 HydrophobicContact CB-CD1 4.05Å; L34-L114 HydrophobicContact CD1-CD1 4.49Å; I35-L114 HydrophobicContact CD1-CD1 3.78Å; I35-L114 HydrophobicContact CD1-CD2 4.01Å; I35-L114 HydrophobicContact CG1-CD1 3.85Å; S112-L114 VanDerWaalsContact C-N 3.35Å; S112-L114 PolarHBondContact OG-N 3Å; L114-Y127 HydrophobicContact CB-CD2 3.45Å; L114-Y127 VanDerWaalsContact CB-CD2 3.45Å; L114-Y127 HydrophobicContact CB-CE2 3.55Å; L114-Y127 HydrophobicContact CB-CG 4.09Å; L114-Y127 HydrophobicContact CD2-CD1 4.24Å; L114-Y127 HydrophobicContact CD2-CD2 3.77Å; L114-Y127 HydrophobicContact CD2-CG 3.58Å; L114-Y127 HydrophobicContact CG-CD2 4.26Å; L114-Y127 HydrophobicContact CG-CG 4.49Å; L114-L129 HydrophobicContact CB-CB 4.32Å; L114-L129 HydrophobicContact CB-CD2 4.12Å; L114-L129 HydrophobicContact CD1-CD2 4.15Å; L114-W147 WeakPolarHBondContact O-CZ2 3.44Å
115Y98.8Very high98.7Very high0 Ų011.1 Ų11.10%05%0.049CC..THydrogen-bonded Turntrans-101.2-2.6-173-58.6-68.5000113.4L28 S31 W67 F71 S112 V117 L118 M124 Q125 Y127L28-Y115 HydrophobicContact CD2-CD1 4.36Å; L28-Y115 HydrophobicContact CD2-CE1 4.28Å; S31-Y115 WeakPolarHBondContact OG-CD1 3.42Å; W67-Y115 HydrophobicContact CZ2-CE1 4.13Å; W67-Y115 AromaticContact NE1-CE1 3.73Å; W67-Y115 AromaticContact NE1-CZ 3.75Å; W67-Y115 PolarHBondContact NE1-OH 2.96Å; F71-Y115 AromaticContact CE2-CE1 3.87Å; F71-Y115 HydrophobicContact CE2-CE1 3.87Å; F71-Y115 AromaticContact CZ-CE1 3.65Å; F71-Y115 HydrophobicContact CZ-CE1 3.65Å; F71-Y115 AromaticContact CZ-CZ 3.96Å; F71-Y115 WeakPolarHBondContact CZ-OH 3.37Å; S112-Y115 WeakPolarHBondContact OG-CB 3.44Å; S112-Y115 PolarHBondContact OG-N 3.3Å; Y115-V117 VanDerWaalsContact C-N 3.29Å; Y115-V117 PolarHBondContact O-N 3.07Å; Y115-L118 HydrophobicContact CD2-CD1 3.86Å; Y115-L118 HydrophobicContact CD2-CD2 4.47Å; Y115-L118 HydrophobicContact CG-CD1 4.18Å; Y115-L118 HydrophobicContact CG-CD2 4.07Å; Y115-L118 HydrophobicContact CG-CG 4.37Å; Y115-M124 HydrophobicContact CD2-CB 4.22Å; Y115-M124 HydrophobicContact CE2-CB 3.63Å; Y115-M124 HydrophobicContact CE2-SD 4.4Å; Y115-Q125 PolarHBondContact OH-N 2.67Å; Y115-Q125 VanDerWaalsContact OH-N 3.12Å; Y115-Q125 PolarHBondContact OH-O 3.49Å; Y115-Y127 HydrophobicContact CD2-CD1 4.24Å; Y115-Y127 AromaticContact CD2-CE1 3.82Å; Y115-Y127 HydrophobicContact CD2-CE1 3.82Å; Y115-Y127 AromaticContact CE2-CD1 3.55Å; Y115-Y127 HydrophobicContact CE2-CD1 3.55Å; Y115-Y127 AromaticContact CE2-CE1 3.57Å; Y115-Y127 HydrophobicContact CE2-CE1 3.57Å; Y115-Y127 HydrophobicContact CE2-CG 4.3Å
116G98.8Very high98.7Very high0 Ų011.6 Ų11.60%06%0.055CC..EExtended strand (participates in β ladder)trans74.6-77.4-178.500000111.9S112 W147S112-G116 PolarHBondContact N-O 2.88Å; S112-G116 CarbonylContact O-C 3.57Å; S112-G116 WeakPolarHBondContact O-CA 3.06Å; S112-G116 PolarHBondContact O-N 3.04Å; G116-W147 VanDerWaalsContact CA-CZ2 3.41Å
117V98.8Very high98.7Very high6 Ų67.6 Ų7.64%0.0364%0.036CC..EExtended strand (participates in β ladder)trans-143.7131.3176.460.20000110L27 R109 L111 Y115 I151 K154 L155L27-V117 HydrophobicContact CD1-CG1 3.92Å; R109-V117 HydrophobicContact CB-CG2 3.69Å; R109-V117 HydrophobicContact CG-CG2 4.08Å; L111-V117 HydrophobicContact CD2-CB 4.43Å; L111-V117 HydrophobicContact CD2-CG2 4.34Å; Y115-V117 VanDerWaalsContact C-N 3.29Å; Y115-V117 PolarHBondContact O-N 3.07Å; V117-I151 HydrophobicContact CB-CG2 4.27Å; V117-K154 HydrophobicContact CG1-CB 3.84Å; V117-K154 HydrophobicContact CG1-CG 4.49Å; V117-L155 HydrophobicContact CG2-CD2 3.98Å
118L98.9Very high98.6Very high0 Ų09 Ų90%04%0.041CC..EExtended strand (participates in β ladder)trans-116.3144.9-177.9-69.4164.3000110.7P25 A79 F83 R109 M110 Y115 D122 M124P25-L118 HydrophobicContact CB-CD2 3.79Å; P25-L118 HydrophobicContact CG-CD2 3.77Å; A79-L118 HydrophobicContact CB-CB 4.28Å; A79-L118 HydrophobicContact CB-CD1 3.9Å; F83-L118 HydrophobicContact CE2-CD1 4.26Å; F83-L118 HydrophobicContact CZ-CD1 4.44Å; R109-L118 CarbonylContact C-O 3.53Å; R109-L118 WeakPolarHBondContact CA-O 3.48Å; M110-L118 HydrophobicContact CB-CB 4.32Å; M110-L118 HydrophobicContact CE-CB 4.14Å; M110-L118 PolarHBondContact N-O 3.26Å; M110-L118 PolarHBondContact O-N 3.38Å; Y115-L118 HydrophobicContact CD2-CD1 3.86Å; Y115-L118 HydrophobicContact CD2-CD2 4.47Å; Y115-L118 HydrophobicContact CG-CD1 4.18Å; Y115-L118 HydrophobicContact CG-CD2 4.07Å; Y115-L118 HydrophobicContact CG-CG 4.37Å; L118-D122 HydrophobicContact CD2-CB 3.79Å; L118-M124 HydrophobicContact CD1-SD 4.08Å
119R98.8Very high98.6Very high50 Ų509.1 Ų9.119%0.1894%0.041CC..  trans-82.9156.1161.4-57.9174.2-65-162.1-5.9110.1L24 E26 M110 L121 D122L24-R119 PolarHBondContact O-NH2 3.26Å; E26-R119 IonicContact OE1-CZ 2.64Å; E26-R119 IonicContact OE1-NH1 3.23Å; E26-R119 PolarHBondContact OE1-NH1 2.95Å; M110-R119 WeakPolarHBondContact CE-O 3.44Å; R119-L121 VanDerWaalsContact C-N 3.31Å; R119-L121 PolarHBondContact O-N 3.02Å; R119-D122 WeakPolarHBondContact CB-OD2 3.22Å; R119-D122 IonicContact CZ-OD1 3.89Å; R119-D122 PolarHBondContact N-OD2 3.29Å; R119-D122 IonicContact NE-OD1 2.85Å; R119-D122 PolarHBondContact NE-OD1 3.16Å; R119-D122 IonicContact NE-OD2 2.6Å; R119-D122 IonicContact NH2-OD1 2.67Å; R119-D122 PolarHBondContact NH2-OD1 3.06Å; R119-D122 WeakPolarHBondContact O-CB 3.48Å; R119-D122 PolarHBondContact O-N 2.86Å; R119-D122 VanDerWaalsContact O-N 3.09Å
120P98.8Very high98.5Very high0 Ų09.3 Ų9.30%04%0.043CC..THydrogen-bonded Turntrans-45.8-47.4179-37.940.7000116.3A79 I80 A104 L108A79-P120 PolarHBondContact N-O 3.41Å; I80-P120 HydrophobicContact CB-CB 3.94Å; I80-P120 WeakPolarHBondContact CB-O 3.5Å; I80-P120 HydrophobicContact CD1-CB 3.95Å; I80-P120 HydrophobicContact CD1-CG 4.32Å; I80-P120 HydrophobicContact CG1-CB 4.48Å; I80-P120 HydrophobicContact CG2-CB 3.99Å; I80-P120 VanDerWaalsContact CG2-O 3.29Å; I80-P120 WeakPolarHBondContact CG2-O 3.02Å; I80-P120 PolarHBondContact N-O 3.41Å; A104-P120 HydrophobicContact CB-CB 4.46Å; A104-P120 HydrophobicContact CB-CG 4.08Å; A104-P120 WeakPolarHBondContact O-CG 3.46Å; L108-P120 HydrophobicContact CB-CG 3.91Å; L108-P120 HydrophobicContact CD2-CG 4.05Å; L108-P120 HydrophobicContact CG-CG 4.2Å; L108-P120 VanDerWaalsContact O-CD 3.28Å; L108-P120 WeakPolarHBondContact O-CD 3.44Å
121L98.8Very high98.5Very high4 Ų49.3 Ų9.32%0.0214%0.043CC..THydrogen-bonded Turntrans-91.21.5-175.6-56.1-179.3000113.4T19 R21 Y22 T23 Q78 F101 Q105 R119 L123T19-L121 HydrophobicContact CG2-CD2 3.99Å; R21-L121 HydrophobicContact CB-CD1 4.26Å; Y22-L121 CarbonylContact C-O 3.53Å; Y22-L121 WeakPolarHBondContact CA-O 3.41Å; T23-L121 PolarHBondContact N-O 3.04Å; T23-L121 VanDerWaalsContact OG1-C 3.31Å; T23-L121 PolarHBondContact OG1-O 3.1Å; Q78-L121 HydrophobicContact CG-CB 4.44Å; Q78-L121 HydrophobicContact CG-CD2 4.19Å; F101-L121 HydrophobicContact CD1-CD2 3.88Å; F101-L121 HydrophobicContact CE1-CD2 4.44Å; F101-L121 HydrophobicContact CG-CD2 4.41Å; Q105-L121 HydrophobicContact CB-CD1 4.41Å; Q105-L121 HydrophobicContact CG-CD1 4.26Å; Q105-L121 HydrophobicContact CG-CG 4.45Å; R119-L121 VanDerWaalsContact C-N 3.31Å; R119-L121 PolarHBondContact O-N 3.02Å; L121-L123 PolarHBondContact O-N 3.2Å
122D98.9Very high98.5Very high0 Ų011 Ų110%06%0.061CC..BIsolated β-bridgetrans-63.1126.2174.4-73.7-17.4000109.6T23 L24 P25 Q78 A79 L118 R119T23-D122 WeakPolarHBondContact CB-OD1 3.17Å; T23-D122 CarbonylContact O-C 3.46Å; T23-D122 VanDerWaalsContact O-CA 3.31Å; T23-D122 WeakPolarHBondContact O-CA 3.42Å; T23-D122 WeakPolarHBondContact OG1-CA 3.35Å; T23-D122 PolarHBondContact OG1-N 2.86Å; T23-D122 PolarHBondContact OG1-OD1 3.21Å; L24-D122 VanDerWaalsContact O-OD1 3.1Å; P25-D122 HydrophobicContact CG-CB 4.15Å; Q78-D122 CarbonylContact C-O 3.57Å; Q78-D122 WeakPolarHBondContact CA-O 3.31Å; A79-D122 WeakPolarHBondContact CB-O 3.34Å; A79-D122 PolarHBondContact N-O 3.23Å; L118-D122 HydrophobicContact CD2-CB 3.79Å; R119-D122 WeakPolarHBondContact CB-OD2 3.22Å; R119-D122 IonicContact CZ-OD1 3.89Å; R119-D122 PolarHBondContact N-OD2 3.29Å; R119-D122 IonicContact NE-OD1 2.85Å; R119-D122 PolarHBondContact NE-OD1 3.16Å; R119-D122 IonicContact NE-OD2 2.6Å; R119-D122 IonicContact NH2-OD1 2.67Å; R119-D122 PolarHBondContact NH2-OD1 3.06Å; R119-D122 WeakPolarHBondContact O-CB 3.48Å; R119-D122 PolarHBondContact O-N 2.86Å; R119-D122 VanDerWaalsContact O-N 3.09Å
123L98.8Very high98.4Very high1 Ų111.7 Ų11.71%0.0056%0.064CC..EExtended strand (participates in β ladder)trans-62.7140.1172.3-69.6-174000110.2Y22 T23 L24 P25 F71 A76 R77 Q78 L121Y22-L123 HydrophobicContact CD2-CD1 3.5Å; Y22-L123 HydrophobicContact CD2-CD2 4.38Å; Y22-L123 HydrophobicContact CD2-CG 3.68Å; Y22-L123 HydrophobicContact CE2-CD1 3.85Å; Y22-L123 HydrophobicContact CG-CD1 3.93Å; Y22-L123 HydrophobicContact CG-CD2 4.09Å; Y22-L123 HydrophobicContact CG-CG 3.91Å; T23-L123 PolarHBondContact O-N 3.29Å; L24-L123 HydrophobicContact CD2-CB 4.49Å; L24-L123 HydrophobicContact CD2-CD1 4.24Å; P25-L123 VanDerWaalsContact CD-O 3.27Å; P25-L123 WeakPolarHBondContact CD-O 3.08Å; P25-L123 WeakPolarHBondContact CG-O 3.41Å; F71-L123 HydrophobicContact CB-CB 4.13Å; F71-L123 HydrophobicContact CB-CD1 4.28Å; F71-L123 HydrophobicContact CD2-CB 3.95Å; F71-L123 WeakPolarHBondContact CD2-O 3.32Å; F71-L123 VanDerWaalsContact CE2-O 3.24Å; F71-L123 WeakPolarHBondContact CE2-O 3.32Å; A76-L123 HydrophobicContact CB-CB 3.8Å; A76-L123 HydrophobicContact CB-CD1 4.37Å; A76-L123 HydrophobicContact CB-CG 4.47Å; R77-L123 CarbonylContact O-C 3.54Å; R77-L123 WeakPolarHBondContact O-CA 3.2Å; Q78-L123 HydrophobicContact CG-CD2 4.36Å; L121-L123 PolarHBondContact O-N 3.2Å
124M98.5Very high98.4Very high0 Ų021 Ų210%010%0.1CC..EExtended strand (participates in β ladder)trans-138.3138170.163.8166.4-162.500112.6L11 Y13 A76 R77 A79 A82 F83 Y115 L118 Y127L11-M124 HydrophobicContact CD2-CE 3.75Å; Y13-M124 WeakPolarHBondContact CE1-O 3.04Å; Y13-M124 PolarHBondContact OH-O 2.87Å; A76-M124 WeakPolarHBondContact CA-O 3.26Å; R77-M124 PolarHBondContact N-O 2.79Å; R77-M124 PolarHBondContact O-N 3.29Å; A79-M124 HydrophobicContact CB-CE 4.5Å; A79-M124 HydrophobicContact CB-CG 4.05Å; A79-M124 HydrophobicContact CB-SD 3.94Å; A82-M124 HydrophobicContact CB-CE 3.33Å; A82-M124 HydrophobicContact CB-CG 4.4Å; F83-M124 HydrophobicContact CD1-CE 3.66Å; F83-M124 HydrophobicContact CD2-CE 3.73Å; F83-M124 HydrophobicContact CD2-SD 4.33Å; F83-M124 HydrophobicContact CE1-CE 3.51Å; F83-M124 HydrophobicContact CE1-SD 3.97Å; F83-M124 HydrophobicContact CE2-CE 3.6Å; F83-M124 HydrophobicContact CE2-SD 3.62Å; F83-M124 HydrophobicContact CG-CE 3.75Å; F83-M124 HydrophobicContact CZ-CE 3.47Å; F83-M124 VanDerWaalsContact CZ-CE 3.47Å; F83-M124 HydrophobicContact CZ-SD 3.39Å; F83-M124 WeakPolarHBondContact CZ-SD 3.22Å; Y115-M124 HydrophobicContact CD2-CB 4.22Å; Y115-M124 HydrophobicContact CE2-CB 3.63Å; Y115-M124 HydrophobicContact CE2-SD 4.4Å; L118-M124 HydrophobicContact CD1-SD 4.08Å; M124-Y127 HydrophobicContact SD-CE1 4.15Å
125Q98.6Very high98.4Very high13 Ų1321.4 Ų21.46%0.06110%0.101CC..  trans-80.5152.7168.2-70.7-174.715.900111.1Y13 W67 Q68 F71 N75 A76 Y115 Y127Y13-Q125 PolarHBondContact OH-O 2.84Å; W67-Q125 VanDerWaalsContact CA-OE1 3.31Å; Q68-Q125 VanDerWaalsContact NE2-NE2 3.11Å; Q68-Q125 PolarHBondContact O-NE2 2.77Å; F71-Q125 HydrophobicContact CD1-CG 3.99Å; F71-Q125 VanDerWaalsContact CD1-NE2 3.28Å; F71-Q125 HydrophobicContact CE1-CB 4.27Å; F71-Q125 HydrophobicContact CE1-CG 3.65Å; F71-Q125 HydrophobicContact CZ-CB 4.14Å; F71-Q125 HydrophobicContact CZ-CG 3.93Å; N75-Q125 WeakPolarHBondContact O-CG 3.34Å; N75-Q125 PolarHBondContact OD1-NE2 2.83Å; A76-Q125 HydrophobicContact CB-CG 3.97Å; Y115-Q125 PolarHBondContact OH-N 2.67Å; Y115-Q125 VanDerWaalsContact OH-N 3.12Å; Y115-Q125 PolarHBondContact OH-O 3.49Å; Q125-Y127 PolarHBondContact O-N 2.76Å
126P97.9Very high98.3Very high38 Ų3828.8 Ų28.825%0.24714%0.136CC..  trans-64.2135.2-175.524.9-34.4000111.6L11 Y13 R63L11-P126 HydrophobicContact CD1-CB 4.09Å; Y13-P126 HydrophobicContact CD2-CB 4.36Å; Y13-P126 HydrophobicContact CE2-CB 3.66Å; Y13-P126 HydrophobicContact CE2-CG 4.34Å; Y13-P126 WeakPolarHBondContact OH-CA 3.28Å; Y13-P126 VanDerWaalsContact OH-N 3.1Å; R63-P126 WeakPolarHBondContact CB-O 3.34Å; R63-P126 HydrophobicContact CG-CB 4.42Å; R63-P126 HydrophobicContact CG-CG 4.39Å
127Y97.9Very high98.3Very high11 Ų1129.5 Ų29.54%0.04314%0.14CC..  trans-151.4170.1179.877.8-74000111.2F83 S112 L114 Y115 M124 Q125 L129F83-Y127 HydrophobicContact CE1-CE1 4.24Å; F83-Y127 HydrophobicContact CZ-CE1 4.24Å; S112-Y127 PolarHBondContact OG-OH 3.36Å; L114-Y127 HydrophobicContact CB-CD2 3.45Å; L114-Y127 VanDerWaalsContact CB-CD2 3.45Å; L114-Y127 HydrophobicContact CB-CE2 3.55Å; L114-Y127 HydrophobicContact CB-CG 4.09Å; L114-Y127 HydrophobicContact CD2-CD1 4.24Å; L114-Y127 HydrophobicContact CD2-CD2 3.77Å; L114-Y127 HydrophobicContact CD2-CG 3.58Å; L114-Y127 HydrophobicContact CG-CD2 4.26Å; L114-Y127 HydrophobicContact CG-CG 4.49Å; Y115-Y127 HydrophobicContact CD2-CD1 4.24Å; Y115-Y127 AromaticContact CD2-CE1 3.82Å; Y115-Y127 HydrophobicContact CD2-CE1 3.82Å; Y115-Y127 AromaticContact CE2-CD1 3.55Å; Y115-Y127 HydrophobicContact CE2-CD1 3.55Å; Y115-Y127 AromaticContact CE2-CE1 3.57Å; Y115-Y127 HydrophobicContact CE2-CE1 3.57Å; Y115-Y127 HydrophobicContact CE2-CG 4.3Å; M124-Y127 HydrophobicContact SD-CE1 4.15Å; Q125-Y127 PolarHBondContact O-N 2.76Å; Y127-L129 HydrophobicContact CD2-CB 3.86Å; Y127-L129 HydrophobicContact CE2-CB 4.15Å
128R97.2Very high98.1Very high43 Ų4333.8 Ų33.816%0.16218%0.176CC..  trans-141.4111.7158.5-173.4172.7-179.8171.7-9.1108.9M50 N60 F64 E130M50-R128 WeakPolarHBondContact CE-O 3.24Å; M50-R128 VanDerWaalsContact SD-O 3.41Å; N60-R128 WeakPolarHBondContact OD1-CB 3.18Å; N60-R128 PolarHBondContact OD1-N 3.04Å; F64-R128 WeakPolarHBondContact CZ-O 3.49Å; R128-E130 IonicContact CZ-OE1 3.36Å; R128-E130 IonicContact NE-OE1 3.58Å; R128-E130 PolarHBondContact NE-OE1 2.99Å; R128-E130 IonicContact NH2-OE1 3.38Å; R128-E130 PolarHBondContact NH2-OE1 3.29Å
129L97.9Very high98.1Very high2 Ų238.2 Ų38.21%0.0119%0.193CC..  trans-151.796.5175.8-172.962.4000107L34 M50 G113 L114 Y127 I133 L135 L143L34-L129 HydrophobicContact CD1-CD2 4.26Å; M50-L129 HydrophobicContact CE-CD1 3.53Å; G113-L129 WeakPolarHBondContact CA-O 3.49Å; L114-L129 HydrophobicContact CB-CB 4.32Å; L114-L129 HydrophobicContact CB-CD2 4.12Å; L114-L129 HydrophobicContact CD1-CD2 4.15Å; Y127-L129 HydrophobicContact CD2-CB 3.86Å; Y127-L129 HydrophobicContact CE2-CB 4.15Å; L129-I133 HydrophobicContact CD1-CB 4.29Å; L129-I133 HydrophobicContact CD1-CG2 4.12Å; L129-L135 HydrophobicContact CD1-CD2 4.39Å; L129-L143 HydrophobicContact CD1-CD1 4.05Å; L129-L143 HydrophobicContact CD2-CD1 4.09Å; L129-L143 HydrophobicContact CD2-CD2 4.23Å; L129-L143 HydrophobicContact CG-CD1 3.68Å
130E98.2Very high98Very high27 Ų2736.8 Ų36.813%0.12619%0.194CC..  trans-74.4145.3-177.6-63.4169.4-153.800109.4K9 R128 G132 I133 L143K9-E130 VanDerWaalsContact CE-CD 3.43Å; K9-E130 WeakPolarHBondContact CE-OE1 3.13Å; K9-E130 WeakPolarHBondContact CE-OE2 3.39Å; K9-E130 IonicContact NZ-OE1 3.79Å; K9-E130 PolarHBondContact NZ-OE1 3.19Å; K9-E130 IonicContact NZ-OE2 2.69Å; K9-E130 PolarHBondContact NZ-OE2 3.09Å; R128-E130 IonicContact CZ-OE1 3.36Å; R128-E130 IonicContact NE-OE1 3.58Å; R128-E130 PolarHBondContact NE-OE1 2.99Å; R128-E130 IonicContact NH2-OE1 3.38Å; R128-E130 PolarHBondContact NH2-OE1 3.29Å; E130-G132 PolarHBondContact O-N 3.02Å; E130-I133 HydrophobicContact CB-CG1 4Å; E130-I133 WeakPolarHBondContact O-CB 3.15Å; E130-I133 WeakPolarHBondContact O-CG1 3.49Å; E130-I133 PolarHBondContact O-N 3.12Å; E130-L143 WeakPolarHBondContact O-CD1 3.5Å
131M98.6Very high97.9Very high0 Ų042.9 Ų42.90%022%0.22CC..THydrogen-bonded Turntrans-62.9-30.3-172.6-173.464.971.600112.1S112 I133 L143 Y144 I151 E174 Y175S112-M131 WeakPolarHBondContact O-CE 3.43Å; M131-I133 PolarHBondContact O-N 3.32Å; M131-L143 HydrophobicContact SD-CB 4.03Å; M131-Y144 HydrophobicContact CB-CE1 4.49Å; M131-Y144 HydrophobicContact CG-CD1 3.98Å; M131-Y144 HydrophobicContact CG-CE1 3.39Å; M131-Y144 HydrophobicContact SD-CD1 4.42Å; M131-Y144 HydrophobicContact SD-CE1 4.4Å; M131-I151 HydrophobicContact CE-CD1 4.14Å; M131-E174 HydrophobicContact CB-CG 4.44Å; M131-E174 PolarHBondContact N-OE1 3.43Å; M131-Y175 HydrophobicContact CB-CD1 3.67Å; M131-Y175 HydrophobicContact CB-CE1 3.71Å; M131-Y175 HydrophobicContact CB-CG 4.11Å; M131-Y175 HydrophobicContact CE-CD1 4.15Å; M131-Y175 HydrophobicContact CG-CD1 4.44Å
132G97.9Very high97.9Very high37 Ų3743.7 Ų43.738%0.38122%0.224SC..THydrogen-bonded Turntrans-73.5-2.817700000115.7E130 E174E130-G132 PolarHBondContact O-N 3.02Å; G132-E174 PolarHBondContact N-OE1 2.97Å
133I97.9Very high97.9Very high14 Ų1443.7 Ų43.77%0.07222%0.224CC..  trans-68.4133.9-178.3-64.2-60.4000111.2L49 M50 L129 E130 M131 L135 L143L49-I133 HydrophobicContact CD1-CG2 4.08Å; L49-I133 HydrophobicContact CD2-CG2 3.98Å; L49-I133 HydrophobicContact CG-CG2 3.82Å; M50-I133 HydrophobicContact CB-CD1 4.17Å; M50-I133 HydrophobicContact CG-CD1 4.02Å; M50-I133 HydrophobicContact CG-CG1 4.46Å; L129-I133 HydrophobicContact CD1-CB 4.29Å; L129-I133 HydrophobicContact CD1-CG2 4.12Å; E130-I133 HydrophobicContact CB-CG1 4Å; E130-I133 WeakPolarHBondContact O-CB 3.15Å; E130-I133 WeakPolarHBondContact O-CG1 3.49Å; E130-I133 PolarHBondContact O-N 3.12Å; M131-I133 PolarHBondContact O-N 3.32Å; I133-L135 VanDerWaalsContact C-N 3.27Å; I133-L135 HydrophobicContact CG2-CB 4.13Å; I133-L135 PolarHBondContact O-N 3.27Å; I133-L135 VanDerWaalsContact O-N 3.17Å; I133-L143 HydrophobicContact CB-CD1 4.31Å; I133-L143 PolarHBondContact O-N 2.88Å
134R97.5Very high97.9Very high196 Ų19645.1 Ų45.174%0.7423%0.23SC*.  trans-89.359.1176.3-63.6-175.3178.5-178.8-0.1111.5L49 E136 K141 D142L49-R134 WeakPolarHBondContact CD1-O 3.11Å; R134-E136 PolarHBondContact O-N 3.37Å; R134-K141 CarbonylContact C-O 3.58Å; R134-D142 HydrophobicContact CB-CB 4.49Å; R134-D142 HydrophobicContact CG-CB 4.31Å
135L98.3Very high97.9Very high7 Ų749.3 Ų49.34%0.03725%0.25CC..  trans-78108.4172.3179.763.5000108.1L34 E37 L41 L49 L129 I133 N137 L143L34-L135 HydrophobicContact CD2-CD2 4.33Å; E37-L135 HydrophobicContact CB-CD1 4.43Å; E37-L135 HydrophobicContact CB-CD2 4.38Å; E37-L135 HydrophobicContact CB-CG 4.48Å; L41-L135 HydrophobicContact CD1-CD1 3.88Å; L49-L135 HydrophobicContact CD2-CD1 4.03Å; L129-L135 HydrophobicContact CD1-CD2 4.39Å; I133-L135 VanDerWaalsContact C-N 3.27Å; I133-L135 HydrophobicContact CG2-CB 4.13Å; I133-L135 PolarHBondContact O-N 3.27Å; I133-L135 VanDerWaalsContact O-N 3.17Å; L135-N137 PolarHBondContact O-ND2 2.69Å; L135-L143 HydrophobicContact CB-CD2 4.28Å; L135-L143 HydrophobicContact CD2-CD2 4.44Å
136E97.6Very high97.9Very high155 Ų15548.8 Ų48.872%0.72425%0.247SC*.  trans-62.9135.8172.5-171.9169.7-176.400110R134R134-E136 PolarHBondContact O-N 3.37Å
137N97.6Very high98Very high15 Ų1547 Ų478%0.0824%0.236CC..BIsolated β-bridgetrans-152.3170.4-171.860.679.7000110.1E37 L135 R139 G140 D142 F146E37-N137 HydrophobicContact CG-CB 4.2Å; L135-N137 PolarHBondContact O-ND2 2.69Å; N137-R139 PolarHBondContact O-N 2.87Å; N137-R139 WeakPolarHBondContact OD1-CA 3.29Å; N137-R139 WeakPolarHBondContact OD1-CB 3.49Å; N137-R139 PolarHBondContact OD1-N 2.81Å; N137-G140 VanDerWaalsContact CG-O 3.28Å; N137-G140 PolarHBondContact N-O 3.34Å; N137-G140 PolarHBondContact ND2-O 3.05Å; N137-G140 PolarHBondContact O-N 2.94Å; N137-G140 PolarHBondContact OD1-N 3.15Å; N137-G140 VanDerWaalsContact OD1-N 3.11Å; N137-G140 PolarHBondContact OD1-O 2.76Å; N137-D142 PolarHBondContact ND2-O 3.08Å; N137-F146 HydrophobicContact CB-CD2 4.25Å; N137-F146 WeakPolarHBondContact OD1-CD2 3.21Å
138A96.1Very high98Very high97 Ų9747.7 Ų47.780%0.80225%0.245SC*.THydrogen-bonded Turntrans-58.4-19-17700000115
139R97.7Very high98Very high93 Ų9348.3 Ų48.335%0.35125%0.252SS..THydrogen-bonded Turntrans-106.4-1.9-178.1-61.7178.5-167.6170.92.4113.2N30 N137 F146N30-R139 PolarHBondContact OD1-NH1 3.44Å; N30-R139 PolarHBondContact OD1-NH2 2.96Å; N137-R139 PolarHBondContact O-N 2.87Å; N137-R139 WeakPolarHBondContact OD1-CA 3.29Å; N137-R139 WeakPolarHBondContact OD1-CB 3.49Å; N137-R139 PolarHBondContact OD1-N 2.81Å; R139-F146 HydrophobicContact CB-CD2 4.3Å; R139-F146 VanDerWaalsContact CD-O 3.31Å; R139-F146 WeakPolarHBondContact CD-O 3.37Å; R139-F146 HydrophobicContact CG-CD2 4.33Å; R139-F146 PolarHBondContact NH1-O 3.39Å
140G97.5Very high98.1Very high20 Ų2050.3 Ų50.321%0.20626%0.262CS..BIsolated β-bridgetrans153.5-169.8178.500000115.1N137N137-G140 VanDerWaalsContact CG-O 3.28Å; N137-G140 PolarHBondContact N-O 3.34Å; N137-G140 PolarHBondContact ND2-O 3.05Å; N137-G140 PolarHBondContact O-N 2.94Å; N137-G140 PolarHBondContact OD1-N 3.15Å; N137-G140 VanDerWaalsContact OD1-N 3.11Å; N137-G140 PolarHBondContact OD1-O 2.76Å
141K97.6Very high98.1Very high127 Ų12749 Ų4955%0.55226%0.256SS*.SBendtrans-85.7-11.1-171.673.6-168.9174.7-178.50115.1R134R134-K141 CarbonylContact C-O 3.58Å
142D98.5Very high98.1Very high21 Ų2149 Ų4911%0.11226%0.256CS..SBendtrans-154.6174.8-174.961.244.6000111.6R134 N137 Y144 Q145 F146R134-D142 HydrophobicContact CB-CB 4.49Å; R134-D142 HydrophobicContact CG-CB 4.31Å; N137-D142 PolarHBondContact ND2-O 3.08Å; D142-Y144 VanDerWaalsContact C-N 3.31Å; D142-Y144 PolarHBondContact O-N 2.85Å; D142-Y144 WeakPolarHBondContact OD1-CA 3.43Å; D142-Y144 WeakPolarHBondContact OD1-CB 3.02Å; D142-Y144 PolarHBondContact OD1-N 3.28Å; D142-Q145 PolarHBondContact O-N 2.93Å; D142-Q145 PolarHBondContact OD1-N 2.98Å; D142-F146 PolarHBondContact O-N 3.25Å
143L98.6Very high98.1Very high0 Ų051.1 Ų51.10%026%0.259CS..Hα-helixtrans-70.4-25.8-178.8-57.3179.1000113L34 L129 E130 M131 I133 L135 Q145 F146 W147L34-L143 HydrophobicContact CD1-CD2 4.02Å; L34-L143 HydrophobicContact CD2-CD2 3.56Å; L34-L143 HydrophobicContact CG-CD2 4.43Å; L129-L143 HydrophobicContact CD1-CD1 4.05Å; L129-L143 HydrophobicContact CD2-CD1 4.09Å; L129-L143 HydrophobicContact CD2-CD2 4.23Å; L129-L143 HydrophobicContact CG-CD1 3.68Å; E130-L143 WeakPolarHBondContact O-CD1 3.5Å; M131-L143 HydrophobicContact SD-CB 4.03Å; I133-L143 HydrophobicContact CB-CD1 4.31Å; I133-L143 PolarHBondContact O-N 2.88Å; L135-L143 HydrophobicContact CB-CD2 4.28Å; L135-L143 HydrophobicContact CD2-CD2 4.44Å; L143-Q145 VanDerWaalsContact C-N 3.33Å; L143-F146 PolarHBondContact O-N 3.4Å; L143-W147 PolarHBondContact O-N 3.21Å
144Y98.6Very high98.2Very high31 Ų3152.8 Ų52.812%0.12227%0.266CS..Hα-helixtrans-66.3-38.4175.7-60.8-66000111.7M131 D142 G148 E174 K177M131-Y144 HydrophobicContact CB-CE1 4.49Å; M131-Y144 HydrophobicContact CG-CD1 3.98Å; M131-Y144 HydrophobicContact CG-CE1 3.39Å; M131-Y144 HydrophobicContact SD-CD1 4.42Å; M131-Y144 HydrophobicContact SD-CE1 4.4Å; D142-Y144 VanDerWaalsContact C-N 3.31Å; D142-Y144 PolarHBondContact O-N 2.85Å; D142-Y144 WeakPolarHBondContact OD1-CA 3.43Å; D142-Y144 WeakPolarHBondContact OD1-CB 3.02Å; D142-Y144 PolarHBondContact OD1-N 3.28Å; Y144-G148 PolarHBondContact O-N 3.23Å; Y144-E174 VanDerWaalsContact CE1-O 3.24Å; Y144-E174 WeakPolarHBondContact CE1-O 3.42Å; Y144-E174 PolarHBondContact OH-O 3.04Å; Y144-K177 HydrophobicContact CD1-CB 4.17Å; Y144-K177 HydrophobicContact CD1-CD 4.31Å; Y144-K177 HydrophobicContact CD1-CG 3.86Å; Y144-K177 HydrophobicContact CD2-CD 4.47Å; Y144-K177 HydrophobicContact CE1-CB 3.55Å; Y144-K177 HydrophobicContact CE1-CD 3.87Å; Y144-K177 HydrophobicContact CE1-CG 3.6Å; Y144-K177 HydrophobicContact CE2-CD 4.03Å; Y144-K177 HydrophobicContact CG-CG 4.46Å
145Q98.6Very high98.2Very high88 Ų8843.5 Ų43.541%0.41123%0.23SC..Hα-helixtrans-72.5-41.2173.3-68.6-172.7-22.900111.5D142 L143 W147 G148D142-Q145 PolarHBondContact O-N 2.93Å; D142-Q145 PolarHBondContact OD1-N 2.98Å; L143-Q145 VanDerWaalsContact C-N 3.33Å; Q145-W147 PolarHBondContact O-N 3.05Å; Q145-G148 PolarHBondContact O-N 3.38Å
146F98.8Very high98.3Very high3 Ų344.3 Ų44.31%0.01324%0.235CC..Hα-helixtrans-55.9-48.5177.5178.8-97.4000113.3N30 Q33 L34 N137 R139 D142 L143N30-F146 HydrophobicContact CB-CE1 3.96Å; N30-F146 HydrophobicContact CB-CZ 3.97Å; N30-F146 WeakPolarHBondContact O-CZ 3.42Å; Q33-F146 HydrophobicContact CB-CE2 3.96Å; Q33-F146 HydrophobicContact CB-CZ 3.99Å; L34-F146 HydrophobicContact CD1-CD1 3.72Å; L34-F146 HydrophobicContact CD1-CE1 3.59Å; L34-F146 HydrophobicContact CD1-CZ 4.3Å; L34-F146 HydrophobicContact CD2-CB 4.32Å; L34-F146 HydrophobicContact CD2-CD1 3.65Å; L34-F146 HydrophobicContact CD2-CD2 3.74Å; L34-F146 HydrophobicContact CD2-CE1 3.86Å; L34-F146 HydrophobicContact CD2-CE2 3.94Å; L34-F146 HydrophobicContact CD2-CG 3.6Å; L34-F146 HydrophobicContact CD2-CZ 4.01Å; L34-F146 HydrophobicContact CG-CD1 3.76Å; L34-F146 HydrophobicContact CG-CD2 4.35Å; L34-F146 HydrophobicContact CG-CE1 3.48Å; L34-F146 VanDerWaalsContact CG-CE1 3.48Å; L34-F146 HydrophobicContact CG-CE2 4.11Å; L34-F146 HydrophobicContact CG-CG 4.2Å; L34-F146 HydrophobicContact CG-CZ 3.69Å; N137-F146 HydrophobicContact CB-CD2 4.25Å; N137-F146 WeakPolarHBondContact OD1-CD2 3.21Å; R139-F146 HydrophobicContact CB-CD2 4.3Å; R139-F146 VanDerWaalsContact CD-O 3.31Å; R139-F146 WeakPolarHBondContact CD-O 3.37Å; R139-F146 HydrophobicContact CG-CD2 4.33Å; R139-F146 PolarHBondContact NH1-O 3.39Å; D142-F146 PolarHBondContact O-N 3.25Å; L143-F146 PolarHBondContact O-N 3.4Å
147W98.7Very high98.3Very high1 Ų141.6 Ų41.60%0.00422%0.222CC..Hα-helixtrans-75.3-28.9-179.3-72.1116.6000112.7L27 N30 L34 G113 L114 G116 L143 Q145 D149 I150 I151L27-W147 HydrophobicContact CB-CH2 4.38Å; L27-W147 HydrophobicContact CB-CZ3 4.22Å; L27-W147 HydrophobicContact CD1-CZ3 3.89Å; N30-W147 HydrophobicContact CB-CH2 3.68Å; N30-W147 HydrophobicContact CB-CZ3 3.53Å; L34-W147 HydrophobicContact CD1-CZ2 3.76Å; G113-W147 PolarHBondContact O-NE1 3.18Å; L114-W147 WeakPolarHBondContact O-CZ2 3.44Å; G116-W147 VanDerWaalsContact CA-CZ2 3.41Å; L143-W147 PolarHBondContact O-N 3.21Å; Q145-W147 PolarHBondContact O-N 3.05Å; W147-D149 PolarHBondContact O-N 3.46Å; W147-D149 VanDerWaalsContact O-N 3.08Å; W147-I150 HydrophobicContact CE3-CB 4.35Å; W147-I150 HydrophobicContact CE3-CG2 4.2Å; W147-I150 HydrophobicContact CZ3-CG2 4.34Å; W147-I150 VanDerWaalsContact O-CB 3.24Å; W147-I150 WeakPolarHBondContact O-CB 3.4Å; W147-I150 WeakPolarHBondContact O-CG1 3.37Å; W147-I150 PolarHBondContact O-N 2.69Å; W147-I151 HydrophobicContact CB-CD1 3.74Å; W147-I151 HydrophobicContact CB-CG1 4.16Å; W147-I151 HydrophobicContact CD2-CD1 3.89Å; W147-I151 HydrophobicContact CD2-CG1 4.14Å; W147-I151 HydrophobicContact CE3-CD1 4.35Å; W147-I151 HydrophobicContact CE3-CG1 4.09Å; W147-I151 HydrophobicContact CG-CD1 3.58Å; W147-I151 HydrophobicContact CG-CG1 4.18Å
148G98Very high98.3Very high24 Ų2441.3 Ų41.325%0.24722%0.222CC..THydrogen-bonded Turntrans49-118.6176.700000111.9Y144 Q145 K180Y144-G148 PolarHBondContact O-N 3.23Å; Q145-G148 PolarHBondContact O-N 3.38Å; G148-K180 WeakPolarHBondContact O-CE 3.42Å
149D98.5Very high98.4Very high57 Ų5737 Ų3731%0.30519%0.185SC..THydrogen-bonded Turntrans-95.9-6.9176.8-64.1-27.3000114W147 I151 T152 N153 K180 K183W147-D149 PolarHBondContact O-N 3.46Å; W147-D149 VanDerWaalsContact O-N 3.08Å; D149-I151 PolarHBondContact O-N 3Å; D149-T152 WeakPolarHBondContact O-CA 3.13Å; D149-T152 WeakPolarHBondContact O-CB 3.33Å; D149-T152 PolarHBondContact O-N 3.04Å; D149-N153 PolarHBondContact O-N 2.84Å; D149-K180 WeakPolarHBondContact OD1-CG 3.49Å; D149-K183 IonicContact OD1-NZ 3.66Å; D149-K183 PolarHBondContact OD1-NZ 2.97Å; D149-K183 IonicContact OD2-NZ 3.55Å; D149-K183 PolarHBondContact OD2-NZ 2.99Å
150I98.8Very high98.4Very high44 Ų4436.4 Ų36.423%0.22620%0.201CC..Hα-helixtrans-56-47.4-170.1-66.1163.8000111.8L27 W147 T152 N153 K154L27-I150 HydrophobicContact CD1-CG2 3.97Å; L27-I150 HydrophobicContact CD2-CG2 3.57Å; L27-I150 HydrophobicContact CG-CG2 4.43Å; W147-I150 HydrophobicContact CE3-CB 4.35Å; W147-I150 HydrophobicContact CE3-CG2 4.2Å; W147-I150 HydrophobicContact CZ3-CG2 4.34Å; W147-I150 VanDerWaalsContact O-CB 3.24Å; W147-I150 WeakPolarHBondContact O-CB 3.4Å; W147-I150 WeakPolarHBondContact O-CG1 3.37Å; W147-I150 PolarHBondContact O-N 2.69Å; I150-T152 VanDerWaalsContact C-N 3.33Å; I150-T152 PolarHBondContact O-N 2.97Å; I150-N153 PolarHBondContact O-N 3.02Å; I150-K154 PolarHBondContact O-N 3.17Å
151I98.9Very high98.3Very high0 Ų039.6 Ų39.60%023%0.225CC..Hα-helixtrans-61.8-44.5177.8-67.4171.9000110.2L111 V117 M131 W147 D149 N153 K154 L155 S178 V179L111-I151 HydrophobicContact CD2-CG2 3.79Å; V117-I151 HydrophobicContact CB-CG2 4.27Å; M131-I151 HydrophobicContact CE-CD1 4.14Å; W147-I151 HydrophobicContact CB-CD1 3.74Å; W147-I151 HydrophobicContact CB-CG1 4.16Å; W147-I151 HydrophobicContact CD2-CD1 3.89Å; W147-I151 HydrophobicContact CD2-CG1 4.14Å; W147-I151 HydrophobicContact CE3-CD1 4.35Å; W147-I151 HydrophobicContact CE3-CG1 4.09Å; W147-I151 HydrophobicContact CG-CD1 3.58Å; W147-I151 HydrophobicContact CG-CG1 4.18Å; D149-I151 PolarHBondContact O-N 3Å; I151-N153 VanDerWaalsContact C-N 3.34Å; I151-N153 PolarHBondContact O-N 3.38Å; I151-K154 PolarHBondContact O-N 3.36Å; I151-L155 HydrophobicContact CG2-CD1 4.22Å; I151-L155 HydrophobicContact CG2-CG 4.45Å; I151-L155 VanDerWaalsContact O-CG 3.31Å; I151-L155 WeakPolarHBondContact O-CG 3.16Å; I151-L155 PolarHBondContact O-N 3.47Å; I151-S178 WeakPolarHBondContact CD1-OG 3.5Å; I151-V179 HydrophobicContact CG2-CG2 4.03Å
152T98.8Very high98.1Very high0 Ų034.7 Ų34.70%020%0.204CC..Hα-helixtrans-64.1-40.9-179-51.50000111.2D149 I150 L155 N156 V179 K180 K183 L184D149-T152 WeakPolarHBondContact O-CA 3.13Å; D149-T152 WeakPolarHBondContact O-CB 3.33Å; D149-T152 PolarHBondContact O-N 3.04Å; I150-T152 VanDerWaalsContact C-N 3.33Å; I150-T152 PolarHBondContact O-N 2.97Å; T152-L155 PolarHBondContact O-N 2.89Å; T152-N156 PolarHBondContact O-N 2.91Å; T152-V179 HydrophobicContact CG2-CG1 4.44Å; T152-K180 HydrophobicContact CG2-CB 4.33Å; T152-K180 PolarHBondContact OG1-N 2.86Å; T152-K183 HydrophobicContact CG2-CB 4.03Å; T152-L184 HydrophobicContact CG2-CB 4.3Å; T152-L184 HydrophobicContact CG2-CD1 3.97Å
153N98.7Very high97.8Very high81 Ų8137 Ų3743%0.43323%0.233SC..Hα-helixtrans-63.2-44176.8-66.4-11.5000111.3D149 I150 I151 L155 N156 E157D149-N153 PolarHBondContact O-N 2.84Å; I150-N153 PolarHBondContact O-N 3.02Å; I151-N153 VanDerWaalsContact C-N 3.34Å; I151-N153 PolarHBondContact O-N 3.38Å; N153-L155 VanDerWaalsContact C-N 3.32Å; N153-L155 PolarHBondContact O-N 2.94Å; N153-N156 WeakPolarHBondContact O-CB 3.48Å; N153-N156 PolarHBondContact O-N 2.78Å; N153-N156 VanDerWaalsContact O-N 3.15Å; N153-E157 WeakPolarHBondContact O-CG 3.3Å; N153-E157 PolarHBondContact O-N 3.41Å
154K98.7Very high97.5Very high49 Ų4939 Ų3921%0.21324%0.243CC..Hα-helixtrans-64.3-34.9175.1-72.7-70.5159.8-159.70113.4L27 V117 I150 I151 E157 A158L27-K154 HydrophobicContact CD1-CG 4.26Å; L27-K154 HydrophobicContact CD2-CD 4.43Å; L27-K154 HydrophobicContact CD2-CG 4.04Å; L27-K154 HydrophobicContact CG-CG 4.4Å; V117-K154 HydrophobicContact CG1-CB 3.84Å; V117-K154 HydrophobicContact CG1-CG 4.49Å; I150-K154 PolarHBondContact O-N 3.17Å; I151-K154 PolarHBondContact O-N 3.36Å; K154-E157 IonicContact NZ-OE1 3.09Å; K154-E157 PolarHBondContact NZ-OE1 3.23Å; K154-E157 IonicContact NZ-OE2 2.71Å; K154-E157 PolarHBondContact NZ-OE2 3.49Å; K154-E157 PolarHBondContact O-N 3.09Å; K154-A158 PolarHBondContact O-N 2.94Å
155L98.7Very high97.3Very high0 Ų042.1 Ų42.10%026%0.262CS..Hα-helixtrans-66.6-40.8172.3-67179.1000111.6L2 L4 R109 V117 I151 T152 N153 A158 L159 V179 L184L2-L155 HydrophobicContact CD2-CD2 3.99Å; L4-L155 HydrophobicContact CD1-CD1 3.9Å; L4-L155 HydrophobicContact CD2-CD1 4.13Å; L4-L155 HydrophobicContact CD2-CD2 3.58Å; R109-L155 HydrophobicContact CB-CD2 4.15Å; R109-L155 HydrophobicContact CG-CD2 3.95Å; V117-L155 HydrophobicContact CG2-CD2 3.98Å; I151-L155 HydrophobicContact CG2-CD1 4.22Å; I151-L155 HydrophobicContact CG2-CG 4.45Å; I151-L155 VanDerWaalsContact O-CG 3.31Å; I151-L155 WeakPolarHBondContact O-CG 3.16Å; I151-L155 PolarHBondContact O-N 3.47Å; T152-L155 PolarHBondContact O-N 2.89Å; N153-L155 VanDerWaalsContact C-N 3.32Å; N153-L155 PolarHBondContact O-N 2.94Å; L155-A158 PolarHBondContact O-N 2.94Å; L155-L159 WeakPolarHBondContact O-CB 3.24Å; L155-L159 WeakPolarHBondContact O-CG 3.33Å; L155-L159 PolarHBondContact O-N 3.36Å; L155-V179 HydrophobicContact CD1-CB 4.5Å; L155-V179 HydrophobicContact CD1-CG1 3.95Å; L155-V179 HydrophobicContact CD1-CG2 3.68Å; L155-L184 HydrophobicContact CB-CD1 3.73Å; L155-L184 HydrophobicContact CD1-CD1 4.29Å
156N98.6Very high97.2Very high24 Ų2438.5 Ų38.513%0.12825%0.246CC..Hα-helixtrans-62.9-39.9174.4-75.9-23.7000112.5T152 N153 L159 A160 K183 L184 N185T152-N156 PolarHBondContact O-N 2.91Å; N153-N156 WeakPolarHBondContact O-CB 3.48Å; N153-N156 PolarHBondContact O-N 2.78Å; N153-N156 VanDerWaalsContact O-N 3.15Å; N156-L159 PolarHBondContact O-N 2.58Å; N156-A160 WeakPolarHBondContact O-CB 3.18Å; N156-A160 PolarHBondContact O-N 3.07Å; N156-K183 PolarHBondContact ND2-O 3.11Å; N156-L184 WeakPolarHBondContact OD1-CA 3.31Å; N156-N185 PolarHBondContact OD1-N 2.86Å
157E98.4Very high97.1Very high98 Ų9838.3 Ų38.346%0.45825%0.245SC..Hα-helixtrans-59.9-45.9172.8-70.6170.4-144.700111.2N153 K154 A160 A161N153-E157 WeakPolarHBondContact O-CG 3.3Å; N153-E157 PolarHBondContact O-N 3.41Å; K154-E157 IonicContact NZ-OE1 3.09Å; K154-E157 PolarHBondContact NZ-OE1 3.23Å; K154-E157 IonicContact NZ-OE2 2.71Å; K154-E157 PolarHBondContact NZ-OE2 3.49Å; K154-E157 PolarHBondContact O-N 3.09Å; E157-A160 PolarHBondContact O-N 3.41Å; E157-A161 WeakPolarHBondContact O-CB 3.44Å; E157-A161 PolarHBondContact O-N 3.24Å
158A98.1Very high97Very high9 Ų938.3 Ų38.37%0.07425%0.245CC..Hα-helixtrans-63-41.9176.900000112.9L2 K154 L155 A161 Q162L2-A158 HydrophobicContact CD2-CB 4.08Å; K154-A158 PolarHBondContact O-N 2.94Å; L155-A158 PolarHBondContact O-N 2.94Å; A158-A161 PolarHBondContact O-N 2.9Å; A158-Q162 PolarHBondContact O-N 2.85Å; A158-Q162 VanDerWaalsContact O-N 3.07Å
159L97.7Very high97Very high7 Ų737.3 Ų37.34%0.03723%0.234CC..Hα-helixtrans-61.6-46.5175.9-72.7164.5000111.4L2 L155 N156 A161 Q162 G163 V167 L184 A186L2-L159 HydrophobicContact CB-CD2 3.86Å; L2-L159 HydrophobicContact CD2-CD2 4.07Å; L2-L159 HydrophobicContact CD2-CG 4.02Å; L155-L159 WeakPolarHBondContact O-CB 3.24Å; L155-L159 WeakPolarHBondContact O-CG 3.33Å; L155-L159 PolarHBondContact O-N 3.36Å; N156-L159 PolarHBondContact O-N 2.58Å; L159-A161 VanDerWaalsContact C-N 3.33Å; L159-A161 PolarHBondContact O-N 2.93Å; L159-Q162 VanDerWaalsContact O-CG 3.27Å; L159-Q162 WeakPolarHBondContact O-CG 3.4Å; L159-Q162 PolarHBondContact O-N 3.47Å; L159-G163 PolarHBondContact O-N 3.4Å; L159-V167 HydrophobicContact CD1-CG2 4.02Å; L159-V167 HydrophobicContact CD2-CG2 3.77Å; L159-V167 HydrophobicContact CG-CG2 4.38Å; L159-L184 HydrophobicContact CD1-CD1 4.06Å; L159-L184 HydrophobicContact CD1-CG 4.2Å; L159-A186 HydrophobicContact CD1-CB 3.64Å; L159-A186 HydrophobicContact CD2-CB 4.18Å
160A97.3Very high96.9Very high81 Ų8134.7 Ų34.767%0.66922%0.22SC*.Hα-helixtrans-61.7-41.9176.900000111.8N156 E157 G163N156-A160 WeakPolarHBondContact O-CB 3.18Å; N156-A160 PolarHBondContact O-N 3.07Å; E157-A160 PolarHBondContact O-N 3.41Å; A160-G163 PolarHBondContact O-N 2.9Å
161A96Very high96.8Very high87 Ų8732.6 Ų32.672%0.71921%0.209SC*.Hα-helixtrans-67.6-35-179.800000113.6E157 A158 L159E157-A161 WeakPolarHBondContact O-CB 3.44Å; E157-A161 PolarHBondContact O-N 3.24Å; A158-A161 PolarHBondContact O-N 2.9Å; L159-A161 VanDerWaalsContact C-N 3.33Å; L159-A161 PolarHBondContact O-N 2.93Å
162Q93.2Very high96.7Very high23 Ų2334 Ų3411%0.10722%0.22CC..Hα-helixtrans-79-18.217770.7174.95.600113.5M1 Q106 H107 A158 L159 D164M1-Q162 PolarHBondContact O-OE1 3.21Å; Q106-Q162 HydrophobicContact CG-CB 4.38Å; H107-Q162 PolarHBondContact ND1-OE1 2.82Å; A158-Q162 PolarHBondContact O-N 2.85Å; A158-Q162 VanDerWaalsContact O-N 3.07Å; L159-Q162 VanDerWaalsContact O-CG 3.27Å; L159-Q162 WeakPolarHBondContact O-CG 3.4Å; L159-Q162 PolarHBondContact O-N 3.47Å; Q162-D164 PolarHBondContact NE2-O 3.28Å; Q162-D164 VanDerWaalsContact NE2-O 3.09Å; Q162-D164 PolarHBondContact NE2-OD1 3.27Å
163G92.5Very high96.5Very high70 Ų7038.8 Ų38.872%0.72225%0.245SC*.THydrogen-bonded Turntrans85.27.817600000115.8L159 A160L159-G163 PolarHBondContact O-N 3.4Å; A160-G163 PolarHBondContact O-N 2.9Å
164D92.4Very high96.5Very high41 Ų4138.2 Ų38.222%0.21924%0.24CC..  trans-134.7158.9172.672.570.3000112.1M1 Q162 V166M1-D164 WeakPolarHBondContact CA-OD1 3.39Å; M1-D164 PolarHBondContact N-OD1 3.26Å; M1-D164 PolarHBondContact N-OD2 2.83Å; Q162-D164 PolarHBondContact NE2-O 3.28Å; Q162-D164 VanDerWaalsContact NE2-O 3.09Å; Q162-D164 PolarHBondContact NE2-OD1 3.27Å; D164-V166 PolarHBondContact OD1-N 2.71Å
165N93.6Very high96.5Very high98 Ų9836.6 Ų36.652%0.52423%0.233SC..  trans-113.834.2-16968-21.3000112.3N185 A186 E187N165-N185 WeakPolarHBondContact CB-O 3.45Å; N165-A186 CarbonylContact O-C 3.38Å; N165-A186 WeakPolarHBondContact O-CA 3.18Å; N165-A186 WeakPolarHBondContact O-CB 3.44Å; N165-E187 PolarHBondContact O-N 3.23Å
166V96Very high96.4Very high11 Ų1137.2 Ų37.27%0.06724%0.235CC..EExtended strand (participates in β ladder)trans-109129.7179177.40000110.3M1 L2 D164 I168 I189 P227M1-V166 CarbonylContact C-O 3.39Å; M1-V166 HydrophobicContact CE-CG1 4.43Å; M1-V166 HydrophobicContact CG-CB 4.43Å; M1-V166 HydrophobicContact CG-CG1 3.97Å; L2-V166 PolarHBondContact N-O 3.31Å; D164-V166 PolarHBondContact OD1-N 2.71Å; V166-I168 HydrophobicContact CG1-CD1 3.68Å; V166-I189 HydrophobicContact CG1-CD1 4.07Å; V166-P227 HydrophobicContact CG1-CG 3.9Å; V166-P227 HydrophobicContact CG2-CG 3.95Å
167V97.5Very high96.4Very high0 Ų042.3 Ų42.30%026%0.256CS..EExtended strand (participates in β ladder)trans-114.6122.8171.5169.90000110.6L2 L4 L159 L184 A186 E187 I188 I189L2-V167 HydrophobicContact CB-CG2 4.37Å; L2-V167 CarbonylContact O-C 3.52Å; L2-V167 VanDerWaalsContact O-CA 3.27Å; L2-V167 WeakPolarHBondContact O-CA 3.49Å; L4-V167 HydrophobicContact CD1-CG1 3.61Å; L4-V167 HydrophobicContact CG-CG1 3.81Å; L159-V167 HydrophobicContact CD1-CG2 4.02Å; L159-V167 HydrophobicContact CD2-CG2 3.77Å; L159-V167 HydrophobicContact CG-CG2 4.38Å; V167-L184 HydrophobicContact CB-CD2 4.35Å; V167-L184 HydrophobicContact CG1-CD2 4.44Å; V167-L184 HydrophobicContact CG2-CD2 3.9Å; V167-A186 HydrophobicContact CB-CB 4.31Å; V167-A186 HydrophobicContact CG2-CB 3.67Å; V167-E187 PolarHBondContact N-O 3.21Å; V167-I188 HydrophobicContact CB-CG1 4.43Å; V167-I189 PolarHBondContact O-N 3.39Å
168I97.3Very high96.4Very high0 Ų037.7 Ų37.70%024%0.235CC..EExtended strand (participates in β ladder)trans-96.4103.1169.8-47.7-50.7000108.5M1 L2 L4 V166 L170 I189 P191 I219 L230M1-I168 HydrophobicContact CE-CD1 4.2Å; M1-I168 HydrophobicContact CE-CG1 4.39Å; M1-I168 HydrophobicContact CG-CD1 3.91Å; M1-I168 HydrophobicContact CG-CG1 3.41Å; M1-I168 VanDerWaalsContact CG-CG1 3.41Å; M1-I168 HydrophobicContact SD-CD1 3.78Å; M1-I168 HydrophobicContact SD-CG1 3.32Å; M1-I168 WeakPolarHBondContact SD-CG1 3.38Å; L2-I168 PolarHBondContact O-N 2.93Å; L4-I168 PolarHBondContact N-O 3.03Å; V166-I168 HydrophobicContact CG1-CD1 3.68Å; I168-L170 HydrophobicContact CG2-CD1 4.32Å; I168-L170 HydrophobicContact CG2-CD2 4.28Å; I168-L170 HydrophobicContact CG2-CG 3.99Å; I168-L170 PolarHBondContact O-N 3.17Å; I168-I189 CarbonylContact C-O 3.59Å; I168-I189 WeakPolarHBondContact CA-O 3.49Å; I168-I189 HydrophobicContact CD1-CB 3.76Å; I168-I189 HydrophobicContact CD1-CD1 3.98Å; I168-I189 HydrophobicContact CD1-CG1 4.28Å; I168-I189 HydrophobicContact CD1-CG2 4.23Å; I168-P191 HydrophobicContact CG2-CG 3.73Å; I168-I219 HydrophobicContact CG1-CD1 4.34Å; I168-I219 HydrophobicContact CG2-CD1 4.33Å; I168-L230 HydrophobicContact CD1-CD1 3.6Å; I168-L230 HydrophobicContact CG1-CD1 4.17Å; I168-L230 HydrophobicContact CG2-CD1 4.46Å
169N97.6Very high96.4Very high4 Ų437.4 Ų37.42%0.02123%0.232CC..EExtended strand (participates in β ladder)trans-83.597179.4-17918000111.1A171 F176 I188 I189N169-A171 WeakPolarHBondContact OD1-CB 3.31Å; N169-A171 PolarHBondContact OD1-N 2.76Å; N169-A171 VanDerWaalsContact OD1-N 3.15Å; N169-F176 HydrophobicContact CB-CD2 4.36Å; N169-F176 HydrophobicContact CB-CE2 4.17Å; N169-F176 VanDerWaalsContact CG-CD2 3.45Å; N169-F176 WeakPolarHBondContact ND2-CD1 3.06Å; N169-F176 VanDerWaalsContact ND2-CD2 3.32Å; N169-F176 WeakPolarHBondContact ND2-CD2 3.5Å; N169-F176 WeakPolarHBondContact ND2-CE1 3.27Å; N169-F176 WeakPolarHBondContact ND2-CG 3.42Å; N169-F176 WeakPolarHBondContact OD1-CD2 3.33Å; N169-I188 HydrophobicContact CB-CG2 4.13Å; N169-I189 PolarHBondContact N-O 2.98Å
170L96.9Very high96.4Very high1 Ų139.9 Ų39.91%0.00524%0.243CC..  trans-102.13.1171.9-62.3173.8000111.9I3 L4 I5 I168 P191 F193 R212 M215 S216I3-L170 HydrophobicContact CG2-CD1 3.7Å; I3-L170 HydrophobicContact CG2-CG 4.41Å; L4-L170 CarbonylContact O-C 3.56Å; L4-L170 VanDerWaalsContact O-C 3.23Å; L4-L170 VanDerWaalsContact O-CA 3.27Å; L4-L170 WeakPolarHBondContact O-CA 3.37Å; L4-L170 WeakPolarHBondContact O-CB 3.19Å; L4-L170 PolarHBondContact O-N 3.22Å; I5-L170 HydrophobicContact CG2-CB 3.93Å; I168-L170 HydrophobicContact CG2-CD1 4.32Å; I168-L170 HydrophobicContact CG2-CD2 4.28Å; I168-L170 HydrophobicContact CG2-CG 3.99Å; I168-L170 PolarHBondContact O-N 3.17Å; L170-P191 HydrophobicContact CD2-CB 3.97Å; L170-P191 HydrophobicContact CD2-CG 3.83Å; L170-F193 HydrophobicContact CD2-CE2 3.76Å; L170-F193 HydrophobicContact CD2-CZ 3.95Å; L170-R212 HydrophobicContact CB-CB 4.08Å; L170-R212 HydrophobicContact CB-CG 4.05Å; L170-R212 WeakPolarHBondContact CD1-O 3.47Å; L170-R212 HydrophobicContact CD2-CB 4.47Å; L170-R212 HydrophobicContact CD2-CG 4.12Å; L170-R212 WeakPolarHBondContact O-CD 3.42Å; L170-R212 WeakPolarHBondContact O-CG 3.38Å; L170-R212 PolarHBondContact O-NE 2.84Å; L170-R212 PolarHBondContact O-NH1 3.41Å; L170-M215 HydrophobicContact CD1-CB 4.05Å; L170-M215 HydrophobicContact CD1-CG 3.84Å; L170-M215 HydrophobicContact CD2-CB 4.38Å; L170-M215 HydrophobicContact CD2-CG 4.09Å; L170-S216 VanDerWaalsContact CD1-OG 3.23Å; L170-S216 WeakPolarHBondContact CD1-OG 3.42Å
171A97.1Very high96.4Very high0 Ų037.5 Ų37.50%022%0.22CC..SBendtrans-71.8158.117600000110.9L4 L111 N169 F176 R212L4-A171 PolarHBondContact O-N 2.9Å; L111-A171 HydrophobicContact CD1-CB 3.97Å; N169-A171 WeakPolarHBondContact OD1-CB 3.31Å; N169-A171 PolarHBondContact OD1-N 2.76Å; N169-A171 VanDerWaalsContact OD1-N 3.15Å; A171-F176 HydrophobicContact CB-CB 4.39Å; A171-R212 VanDerWaalsContact C-NH1 3.35Å; A171-R212 PolarHBondContact O-NH1 3.32Å
172S95.2Very high96.4Very high31 Ų3141.3 Ų41.322%0.21722%0.22CC..  trans-69.5154.8165.461.10000110.8S6 E174 Y175 F176S6-S172 PolarHBondContact OG-N 3.25Å; S6-S172 PolarHBondContact OG-OG 3.43Å; S172-E174 PolarHBondContact O-N 2.83Å; S172-Y175 PolarHBondContact O-N 3.42Å; S172-Y175 VanDerWaalsContact O-N 3.08Å; S172-Y175 WeakPolarHBondContact OG-CD2 3.4Å; S172-F176 PolarHBondContact O-N 3.28Å
173D95.7Very high96.6Very high100 Ų10045.1 Ų45.154%0.53524%0.237SC..Hα-helixtrans-59-31.5178.3-63.7-24.8000111.8Y175 K177 K190D173-Y175 PolarHBondContact O-N 3.25Å; D173-K177 VanDerWaalsContact O-CB 3.26Å; D173-K177 WeakPolarHBondContact O-CB 3.49Å; D173-K177 PolarHBondContact O-N 2.95Å; D173-K190 IonicContact OD1-NZ 2.68Å; D173-K190 PolarHBondContact OD1-NZ 3.16Å; D173-K190 IonicContact OD2-NZ 3.7Å
174E97.5Very high96.8Very high68 Ų6842.4 Ų42.432%0.31821%0.206SC..Hα-helixtrans-55.6-48.4174.5-172.2-164.1157.800111.7M131 G132 Y144 S172M131-E174 HydrophobicContact CB-CG 4.44Å; M131-E174 PolarHBondContact N-OE1 3.43Å; G132-E174 PolarHBondContact N-OE1 2.97Å; Y144-E174 VanDerWaalsContact CE1-O 3.24Å; Y144-E174 WeakPolarHBondContact CE1-O 3.42Å; Y144-E174 PolarHBondContact OH-O 3.04Å; S172-E174 PolarHBondContact O-N 2.83Å
175Y98.5Very high97Very high16 Ų1646.1 Ų46.16%0.06323%0.225CC..Hα-helixtrans-81.9-41.2-179.1-76.5-90.8000111.5S6 P7 L111 M131 S172 D173 K177 S178S6-Y175 WeakPolarHBondContact OG-CD2 3.47Å; P7-Y175 VanDerWaalsContact CD-CD1 3.44Å; P7-Y175 HydrophobicContact CG-CD1 3.92Å; P7-Y175 HydrophobicContact CG-CE1 3.19Å; P7-Y175 HydrophobicContact CG-CE2 4.02Å; P7-Y175 VanDerWaalsContact CG-OH 3.32Å; P7-Y175 WeakPolarHBondContact CG-OH 3.12Å; L111-Y175 HydrophobicContact CB-CD1 4.09Å; L111-Y175 HydrophobicContact CB-CG 4.44Å; M131-Y175 HydrophobicContact CB-CD1 3.67Å; M131-Y175 HydrophobicContact CB-CE1 3.71Å; M131-Y175 HydrophobicContact CB-CG 4.11Å; M131-Y175 HydrophobicContact CE-CD1 4.15Å; M131-Y175 HydrophobicContact CG-CD1 4.44Å; S172-Y175 PolarHBondContact O-N 3.42Å; S172-Y175 VanDerWaalsContact O-N 3.08Å; S172-Y175 WeakPolarHBondContact OG-CD2 3.4Å; D173-Y175 PolarHBondContact O-N 3.25Å; Y175-K177 PolarHBondContact O-N 2.67Å; Y175-K177 VanDerWaalsContact O-N 3.15Å; Y175-S178 WeakPolarHBondContact O-CB 3.36Å; Y175-S178 PolarHBondContact O-N 3.32Å; Y175-S178 PolarHBondContact O-OG 3.07Å
176F98.1Very high97.1Very high13 Ų1342.5 Ų42.56%0.05721%0.209CC..Hα-helixtrans-63.4-23.6-179.2-170.1-110.1000113L4 N169 A171 S172 S178 V179 P181 I188L4-F176 HydrophobicContact CD1-CD2 4.09Å; L4-F176 HydrophobicContact CD1-CE2 3.86Å; N169-F176 HydrophobicContact CB-CD2 4.36Å; N169-F176 HydrophobicContact CB-CE2 4.17Å; N169-F176 VanDerWaalsContact CG-CD2 3.45Å; N169-F176 WeakPolarHBondContact ND2-CD1 3.06Å; N169-F176 VanDerWaalsContact ND2-CD2 3.32Å; N169-F176 WeakPolarHBondContact ND2-CD2 3.5Å; N169-F176 WeakPolarHBondContact ND2-CE1 3.27Å; N169-F176 WeakPolarHBondContact ND2-CG 3.42Å; N169-F176 WeakPolarHBondContact OD1-CD2 3.33Å; A171-F176 HydrophobicContact CB-CB 4.39Å; S172-F176 PolarHBondContact O-N 3.28Å; F176-S178 PolarHBondContact O-N 3.42Å; F176-S178 VanDerWaalsContact O-N 3.14Å; F176-V179 HydrophobicContact CD2-CB 4.16Å; F176-V179 HydrophobicContact CD2-CG2 4.06Å; F176-V179 HydrophobicContact CE2-CB 4.06Å; F176-V179 HydrophobicContact CE2-CG1 4.17Å; F176-V179 HydrophobicContact CE2-CG2 4.25Å; F176-V179 WeakPolarHBondContact O-CA 3.46Å; F176-V179 WeakPolarHBondContact O-CB 3.43Å; F176-V179 PolarHBondContact O-N 2.82Å; F176-P181 HydrophobicContact CE1-CG 3.84Å; F176-P181 HydrophobicContact CZ-CG 4.2Å; F176-I188 HydrophobicContact CZ-CD1 3.98Å; F176-I188 HydrophobicContact CZ-CG2 4.01Å
177K98.1Very high97.1Very high131 Ų13145.9 Ų45.957%0.5722%0.224SC*.THydrogen-bonded Turntrans-60.8-17.4172.3-178.7176.7176.7-171.60114Y144 D173 Y175 V179Y144-K177 HydrophobicContact CD1-CB 4.17Å; Y144-K177 HydrophobicContact CD1-CD 4.31Å; Y144-K177 HydrophobicContact CD1-CG 3.86Å; Y144-K177 HydrophobicContact CD2-CD 4.47Å; Y144-K177 HydrophobicContact CE1-CB 3.55Å; Y144-K177 HydrophobicContact CE1-CD 3.87Å; Y144-K177 HydrophobicContact CE1-CG 3.6Å; Y144-K177 HydrophobicContact CE2-CD 4.03Å; Y144-K177 HydrophobicContact CG-CG 4.46Å; D173-K177 VanDerWaalsContact O-CB 3.26Å; D173-K177 WeakPolarHBondContact O-CB 3.49Å; D173-K177 PolarHBondContact O-N 2.95Å; Y175-K177 PolarHBondContact O-N 2.67Å; Y175-K177 VanDerWaalsContact O-N 3.15Å; K177-V179 VanDerWaalsContact C-N 3.3Å
178S98.5Very high97Very high1 Ų146 Ų461%0.00722%0.224CC..THydrogen-bonded Turntrans-76-18.9171.176.70000113.1I151 Y175 F176I151-S178 WeakPolarHBondContact CD1-OG 3.5Å; Y175-S178 WeakPolarHBondContact O-CB 3.36Å; Y175-S178 PolarHBondContact O-N 3.32Å; Y175-S178 PolarHBondContact O-OG 3.07Å; F176-S178 PolarHBondContact O-N 3.42Å; F176-S178 VanDerWaalsContact O-N 3.14Å
179V98.6Very high96.9Very high2 Ų246 Ų461%0.01223%0.225CC..SBendtrans-85.1145.7170.9-173.40000108.9L111 I151 T152 L155 F176 K177 P181 L184L111-V179 HydrophobicContact CD1-CG2 4.18Å; L111-V179 HydrophobicContact CD2-CG2 4.13Å; I151-V179 HydrophobicContact CG2-CG2 4.03Å; T152-V179 HydrophobicContact CG2-CG1 4.44Å; L155-V179 HydrophobicContact CD1-CB 4.5Å; L155-V179 HydrophobicContact CD1-CG1 3.95Å; L155-V179 HydrophobicContact CD1-CG2 3.68Å; F176-V179 HydrophobicContact CD2-CB 4.16Å; F176-V179 HydrophobicContact CD2-CG2 4.06Å; F176-V179 HydrophobicContact CE2-CB 4.06Å; F176-V179 HydrophobicContact CE2-CG1 4.17Å; F176-V179 HydrophobicContact CE2-CG2 4.25Å; F176-V179 WeakPolarHBondContact O-CA 3.46Å; F176-V179 WeakPolarHBondContact O-CB 3.43Å; F176-V179 PolarHBondContact O-N 2.82Å; K177-V179 VanDerWaalsContact C-N 3.3Å; V179-P181 VanDerWaalsContact O-CD 3.31Å; V179-P181 WeakPolarHBondContact O-CD 3.45Å; V179-L184 HydrophobicContact CG1-CD1 4.29Å; V179-L184 HydrophobicContact CG1-CD2 4.23Å
180K97.9Very high96.7Very high60 Ų6048 Ų4826%0.26123%0.233SC..  trans-10595.4175.6-52-51.7172.8-164.20109G148 D149 T152 K182 K183 L184G148-K180 WeakPolarHBondContact O-CE 3.42Å; D149-K180 WeakPolarHBondContact OD1-CG 3.49Å; T152-K180 HydrophobicContact CG2-CB 4.33Å; T152-K180 PolarHBondContact OG1-N 2.86Å; K180-K182 VanDerWaalsContact C-N 3.25Å; K180-K182 PolarHBondContact O-N 3.18Å; K180-K182 VanDerWaalsContact O-N 3.13Å; K180-K183 HydrophobicContact CB-CB 4.16Å; K180-K183 HydrophobicContact CB-CD 4.19Å; K180-K183 HydrophobicContact CB-CG 4.28Å; K180-K183 PolarHBondContact O-N 3.46Å; K180-L184 PolarHBondContact O-N 3.22Å
181P96.5Very high96.5Very high30 Ų3048.2 Ų48.220%0.19524%0.235CC..G310 helixtrans-54.4-39.3-172.5-29.937.3000114.1F176 V179 K183 L184 I188 Y256F176-P181 HydrophobicContact CE1-CG 3.84Å; F176-P181 HydrophobicContact CZ-CG 4.2Å; V179-P181 VanDerWaalsContact O-CD 3.31Å; V179-P181 WeakPolarHBondContact O-CD 3.45Å; P181-K183 PolarHBondContact O-N 3.06Å; P181-L184 WeakPolarHBondContact O-CB 3.49Å; P181-L184 PolarHBondContact O-N 2.89Å; P181-L184 VanDerWaalsContact O-N 3.14Å; P181-I188 HydrophobicContact CB-CD1 3.73Å; P181-I188 HydrophobicContact CG-CD1 4.47Å; P181-Y256 HydrophobicContact CB-CD1 3.54Å; P181-Y256 HydrophobicContact CB-CD2 3.66Å; P181-Y256 HydrophobicContact CB-CE1 3.52Å; P181-Y256 HydrophobicContact CB-CE2 3.65Å; P181-Y256 HydrophobicContact CB-CG 3.6Å; P181-Y256 HydrophobicContact CG-CD1 4.35Å; P181-Y256 HydrophobicContact CG-CE1 3.86Å; P181-Y256 HydrophobicContact CG-CE2 4.28Å
182K95.9Very high96Very high168 Ų16849.5 Ų49.573%0.7324%0.242SC*.G310 helixtrans-66.5-14.8178.2-63.9-167171.3-152.70115.1K180 L257K180-K182 VanDerWaalsContact C-N 3.25Å; K180-K182 PolarHBondContact O-N 3.18Å; K180-K182 VanDerWaalsContact O-N 3.13Å; K182-L257 PolarHBondContact NZ-O 2.59Å
183K97.6Very high95.6Very high103 Ų10348.3 Ų48.345%0.44823%0.233SC..G310 helixtrans-108.91.8177.9-62.4-177.9178175.50112D149 T152 N156 K180 P181D149-K183 IonicContact OD1-NZ 3.66Å; D149-K183 PolarHBondContact OD1-NZ 2.97Å; D149-K183 IonicContact OD2-NZ 3.55Å; D149-K183 PolarHBondContact OD2-NZ 2.99Å; T152-K183 HydrophobicContact CG2-CB 4.03Å; N156-K183 PolarHBondContact ND2-O 3.11Å; K180-K183 HydrophobicContact CB-CB 4.16Å; K180-K183 HydrophobicContact CB-CD 4.19Å; K180-K183 HydrophobicContact CB-CG 4.28Å; K180-K183 PolarHBondContact O-N 3.46Å; P181-K183 PolarHBondContact O-N 3.06Å
184L96.9Very high95.1Very high13 Ų1345.2 Ų45.27%0.06822%0.217CC..  trans-89.2124.8179.4-163.270.7000108.3T152 L155 N156 L159 V167 V179 K180 P181 A186 I188T152-L184 HydrophobicContact CG2-CB 4.3Å; T152-L184 HydrophobicContact CG2-CD1 3.97Å; L155-L184 HydrophobicContact CB-CD1 3.73Å; L155-L184 HydrophobicContact CD1-CD1 4.29Å; N156-L184 WeakPolarHBondContact OD1-CA 3.31Å; L159-L184 HydrophobicContact CD1-CD1 4.06Å; L159-L184 HydrophobicContact CD1-CG 4.2Å; V167-L184 HydrophobicContact CB-CD2 4.35Å; V167-L184 HydrophobicContact CG1-CD2 4.44Å; V167-L184 HydrophobicContact CG2-CD2 3.9Å; V179-L184 HydrophobicContact CG1-CD1 4.29Å; V179-L184 HydrophobicContact CG1-CD2 4.23Å; K180-L184 PolarHBondContact O-N 3.22Å; P181-L184 WeakPolarHBondContact O-CB 3.49Å; P181-L184 PolarHBondContact O-N 2.89Å; P181-L184 VanDerWaalsContact O-N 3.14Å; L184-A186 HydrophobicContact CD2-CB 4.4Å; L184-A186 HydrophobicContact CG-CB 4.25Å; L184-A186 PolarHBondContact O-N 2.82Å; L184-I188 HydrophobicContact CD2-CD1 3.76Å; L184-I188 HydrophobicContact CD2-CG1 3.85Å
185N96.4Very high94.2Very high119 Ų11942.9 Ų42.964%0.63621%0.206SC*.SBendtrans-81.852.9-178.6-63.6-24.8000110.4N156 N165N156-N185 PolarHBondContact OD1-N 2.86Å; N165-N185 WeakPolarHBondContact CB-O 3.45Å
186A95.8Very high93.2Very high21 Ų2147.1 Ų47.117%0.17423%0.227CC..SBendtrans-152.1151.6-175.300000113.6L159 N165 V167 L184L159-A186 HydrophobicContact CD1-CB 3.64Å; L159-A186 HydrophobicContact CD2-CB 4.18Å; N165-A186 CarbonylContact O-C 3.38Å; N165-A186 WeakPolarHBondContact O-CA 3.18Å; N165-A186 WeakPolarHBondContact O-CB 3.44Å; V167-A186 HydrophobicContact CB-CB 4.31Å; V167-A186 HydrophobicContact CG2-CB 3.67Å; L184-A186 HydrophobicContact CD2-CB 4.4Å; L184-A186 HydrophobicContact CG-CB 4.25Å; L184-A186 PolarHBondContact O-N 2.82Å
187E95.1Very high92.1Very high82 Ų8253.6 Ų53.638%0.38326%0.255SS..EExtended strand (participates in β ladder)trans-70.3125159-173.9-176.4161.700109.2N165 V167 I189 T253N165-E187 PolarHBondContact O-N 3.23Å; V167-E187 PolarHBondContact N-O 3.21Å; E187-I189 HydrophobicContact CG-CG1 4.42Å; E187-T253 HydrophobicContact CG-CG2 4.07Å; E187-T253 WeakPolarHBondContact OE1-CG2 3.18Å
188I96.3Very high91.3Very high2 Ų254.6 Ų54.61%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-101.4116.6-179.5-60.4166.7000109.4V167 N169 F176 P181 L184 I254 Y256V167-I188 HydrophobicContact CB-CG1 4.43Å; N169-I188 HydrophobicContact CB-CG2 4.13Å; F176-I188 HydrophobicContact CZ-CD1 3.98Å; F176-I188 HydrophobicContact CZ-CG2 4.01Å; P181-I188 HydrophobicContact CB-CD1 3.73Å; P181-I188 HydrophobicContact CG-CD1 4.47Å; L184-I188 HydrophobicContact CD2-CD1 3.76Å; L184-I188 HydrophobicContact CD2-CG1 3.85Å; I188-I254 PolarHBondContact O-N 2.93Å; I188-Y256 HydrophobicContact CB-CD2 4.38Å; I188-Y256 HydrophobicContact CB-CE2 4.07Å; I188-Y256 HydrophobicContact CD1-CD2 3.67Å; I188-Y256 HydrophobicContact CD1-CE2 3.59Å; I188-Y256 HydrophobicContact CG1-CD2 4.47Å; I188-Y256 HydrophobicContact CG1-CE2 4.4Å; I188-Y256 HydrophobicContact CG2-CE2 4.33Å
189I95Very high90.5Very high1 Ų157 Ų571%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-106127.1175.1-57.1-179.1000108.3V166 V167 I168 N169 E187 P191 P227 I251V166-I189 HydrophobicContact CG1-CD1 4.07Å; V167-I189 PolarHBondContact O-N 3.39Å; I168-I189 CarbonylContact C-O 3.59Å; I168-I189 WeakPolarHBondContact CA-O 3.49Å; I168-I189 HydrophobicContact CD1-CB 3.76Å; I168-I189 HydrophobicContact CD1-CD1 3.98Å; I168-I189 HydrophobicContact CD1-CG1 4.28Å; I168-I189 HydrophobicContact CD1-CG2 4.23Å; N169-I189 PolarHBondContact N-O 2.98Å; E187-I189 HydrophobicContact CG-CG1 4.42Å; I189-P191 WeakPolarHBondContact O-CD 3.46Å; I189-P227 HydrophobicContact CD1-CB 3.42Å; I189-P227 VanDerWaalsContact CD1-CB 3.42Å; I189-P227 HydrophobicContact CD1-CG 3.54Å; I189-I251 HydrophobicContact CG2-CG2 3.46Å; I189-I251 VanDerWaalsContact CG2-CG2 3.46Å
190K93.9Very high89.8Confident47 Ų4763.7 Ų63.720%0.20432%0.32CS..EExtended strand (participates in β ladder)trans-116.294.1178.2-172.8-177.6-173.3176.10109.6D173 V192 I252 I254D173-K190 IonicContact OD1-NZ 2.68Å; D173-K190 PolarHBondContact OD1-NZ 3.16Å; D173-K190 IonicContact OD2-NZ 3.7Å; K190-V192 PolarHBondContact O-N 3.02Å; K190-I252 PolarHBondContact N-O 3.14Å; K190-I252 PolarHBondContact O-N 2.76Å; K190-I254 HydrophobicContact CB-CD1 3.79Å; K190-I254 HydrophobicContact CB-CG1 4.36Å; K190-I254 HydrophobicContact CD-CD1 3.91Å
191P91.4Very high89Confident5 Ų565.5 Ų65.53%0.03233%0.328CS..EExtended strand (participates in β ladder)trans-59.9130.6169.8-2536.8000111.1I168 L170 I189 F193I168-P191 HydrophobicContact CG2-CG 3.73Å; L170-P191 HydrophobicContact CD2-CB 3.97Å; L170-P191 HydrophobicContact CD2-CG 3.83Å; I189-P191 WeakPolarHBondContact O-CD 3.46Å; P191-F193 HydrophobicContact CB-CE2 4.05Å; P191-F193 HydrophobicContact CB-CZ 3.88Å
192V87.6Confident88.4Confident27 Ų2770.4 Ų70.416%0.16435%0.346CS..EExtended strand (participates in β ladder)trans-112.3122175.4-177.40000108.8K190 L194 I203 T250 I252K190-V192 PolarHBondContact O-N 3.02Å; V192-L194 HydrophobicContact CG1-CD2 3.97Å; V192-L194 HydrophobicContact CG1-CG 4.06Å; V192-I203 HydrophobicContact CG1-CD1 4.1Å; V192-I203 HydrophobicContact CG1-CG1 4.31Å; V192-T250 PolarHBondContact N-O 3.48Å; V192-T250 PolarHBondContact O-N 3.45Å; V192-I252 HydrophobicContact CB-CD1 4.32Å; V192-I252 HydrophobicContact CG2-CD1 3.54Å; V192-I252 HydrophobicContact CG2-CG1 4.03Å
193F87.4Confident87.7Confident6 Ų667.8 Ų67.83%0.02634%0.339CS..EExtended strand (participates in β ladder)trans-98.6110.6-178.3-61-72.8000108.8L170 P191 A208 A211 R212 M215 F233 V247 A249L170-F193 HydrophobicContact CD2-CE2 3.76Å; L170-F193 HydrophobicContact CD2-CZ 3.95Å; P191-F193 HydrophobicContact CB-CE2 4.05Å; P191-F193 HydrophobicContact CB-CZ 3.88Å; F193-A208 HydrophobicContact CB-CB 4.19Å; F193-A211 HydrophobicContact CB-CB 4.01Å; F193-A211 HydrophobicContact CD1-CB 3.4Å; F193-A211 VanDerWaalsContact CD1-CB 3.4Å; F193-A211 HydrophobicContact CD2-CB 4.03Å; F193-A211 HydrophobicContact CE1-CB 3.8Å; F193-A211 HydrophobicContact CE2-CB 4.4Å; F193-A211 HydrophobicContact CG-CB 3.51Å; F193-A211 HydrophobicContact CZ-CB 4.28Å; F193-R212 HydrophobicContact CD2-CG 3.95Å; F193-R212 HydrophobicContact CE2-CB 4.39Å; F193-R212 HydrophobicContact CE2-CG 3.57Å; F193-M215 HydrophobicContact CE1-CB 4.4Å; F193-M215 HydrophobicContact CE1-CE 4.16Å; F193-M215 HydrophobicContact CZ-CB 3.84Å; F193-M215 HydrophobicContact CZ-CE 4.22Å; F193-M215 HydrophobicContact CZ-CG 4.26Å; F193-F233 HydrophobicContact CD1-CE1 4.41Å; F193-F233 HydrophobicContact CE1-CD1 4.32Å; F193-F233 AromaticContact CE1-CE1 3.77Å; F193-F233 HydrophobicContact CE1-CE1 3.77Å; F193-F233 HydrophobicContact CE1-CZ 4.42Å; F193-V247 HydrophobicContact CB-CG1 3.59Å; F193-V247 HydrophobicContact CD1-CG1 3.73Å; F193-V247 HydrophobicContact CG-CG1 4.12Å; F193-A249 HydrophobicContact CD1-CB 4.09Å; F193-A249 HydrophobicContact CE1-CB 4.04Å
194L83.7Confident86.8Confident35 Ų3566 Ų6618%0.18333%0.334CS..EExtended strand (participates in β ladder)trans-109.7133.2-178.7-63171.1000109.4V192 F201 I203 V247 I248V192-L194 HydrophobicContact CG1-CD2 3.97Å; V192-L194 HydrophobicContact CG1-CG 4.06Å; L194-F201 HydrophobicContact CB-CB 4.1Å; L194-F201 HydrophobicContact CB-CD1 4.2Å; L194-F201 HydrophobicContact CD1-CB 4.07Å; L194-F201 HydrophobicContact CG-CB 4.48Å; L194-I203 HydrophobicContact CD2-CG1 3.72Å; L194-V247 WeakPolarHBondContact O-CA 3.44Å; L194-I248 PolarHBondContact N-O 2.72Å; L194-I248 PolarHBondContact O-N 2.64Å
195D78.1Confident86.1Confident19 Ų1969.2 Ų69.210%0.10236%0.358CS..EExtended strand (participates in β ladder)trans-96.5139.1169.1-171.212.5000108.8F201 K202 I204 Y207 P246D195-F201 WeakPolarHBondContact O-CA 3.49Å; D195-K202 PolarHBondContact N-O 3.38Å; D195-K202 PolarHBondContact O-N 2.91Å; D195-I204 HydrophobicContact CB-CD1 4.11Å; D195-I204 HydrophobicContact CB-CG1 4.04Å; D195-I204 WeakPolarHBondContact OD2-CD1 3.46Å; D195-Y207 WeakPolarHBondContact OD2-CD2 3.49Å; D195-P246 VanDerWaalsContact OD1-O 3.11Å
196E78.7Confident85.5Confident105 Ų10568.4 Ų68.449%0.49135%0.349SS..EExtended strand (participates in β ladder)trans-94118.1177.3-166.1-171.2158.100109.9G199 F201E196-G199 WeakPolarHBondContact OE1-CA 3.4Å; E196-G199 PolarHBondContact OE1-N 2.93Å; E196-F201 HydrophobicContact CB-CD1 4Å; E196-F201 HydrophobicContact CB-CE1 3.62Å; E196-F201 HydrophobicContact CB-CZ 4.31Å; E196-F201 HydrophobicContact CG-CD1 4.22Å; E196-F201 HydrophobicContact CG-CE1 3.72Å; E196-F201 HydrophobicContact CG-CZ 3.92Å
197K75.3Confident84.9Confident148 Ų14871.7 Ų71.764%0.64336%0.357SS*.EExtended strand (participates in β ladder)trans-125114.1168.9-170.4171.9-176.6172.50109.9K200K197-K200 PolarHBondContact N-O 2.92Å; K197-K200 PolarHBondContact O-N 3.35Å; K197-K200 VanDerWaalsContact O-N 3.14Å
198N80.8Confident84.6Confident153 Ų15368.1 Ų68.182%0.81834%0.342SS*.THydrogen-bonded Turntrans55.548.4179.3-54.5-23.2000112.7K200N198-K200 PolarHBondContact O-N 3.49Å; N198-K200 VanDerWaalsContact O-N 3.16Å
199G82.5Confident84.3Confident51 Ų5172.4 Ų72.453%0.52636%0.36SS..THydrogen-bonded Turntrans71.23-178.100000115.1E196E196-G199 WeakPolarHBondContact OE1-CA 3.4Å; E196-G199 PolarHBondContact OE1-N 2.93Å
200K82.8Confident84.1Confident142 Ų14274.2 Ų74.262%0.61737%0.368SS*.EExtended strand (participates in β ladder)trans-109.1125.3176.8-65.9-175.2-179.7-178.90110.3K197 N198K197-K200 PolarHBondContact N-O 2.92Å; K197-K200 PolarHBondContact O-N 3.35Å; K197-K200 VanDerWaalsContact O-N 3.14Å; N198-K200 PolarHBondContact O-N 3.49Å; N198-K200 VanDerWaalsContact O-N 3.16Å
201F82.1Confident84Confident99 Ų9972.1 Ų72.143%0.43436%0.359SS..EExtended strand (participates in β ladder)trans-85.6126.4175.4-64.6-77.1000111.1L194 D195 E196 I248L194-F201 HydrophobicContact CB-CB 4.1Å; L194-F201 HydrophobicContact CB-CD1 4.2Å; L194-F201 HydrophobicContact CD1-CB 4.07Å; L194-F201 HydrophobicContact CG-CB 4.48Å; D195-F201 WeakPolarHBondContact O-CA 3.49Å; E196-F201 HydrophobicContact CB-CD1 4Å; E196-F201 HydrophobicContact CB-CE1 3.62Å; E196-F201 HydrophobicContact CB-CZ 4.31Å; E196-F201 HydrophobicContact CG-CD1 4.22Å; E196-F201 HydrophobicContact CG-CE1 3.72Å; E196-F201 HydrophobicContact CG-CZ 3.92Å; F201-I248 HydrophobicContact CE1-CD1 3.51Å; F201-I248 HydrophobicContact CE1-CG1 4.22Å; F201-I248 HydrophobicContact CZ-CD1 3.95Å
202K83.6Confident84.1Confident133 Ų13374.2 Ų74.258%0.57837%0.366SS*.EExtended strand (participates in β ladder)trans-140.9150.9177-62.9-174-179.6-175.80110.8D195 I204D195-K202 PolarHBondContact N-O 3.38Å; D195-K202 PolarHBondContact O-N 2.91Å; K202-I204 PolarHBondContact O-N 3.09Å
203I80.6Confident84.5Confident112 Ų11272.9 Ų72.957%0.57436%0.359SS*.  trans-76.4115.7169.4-59.6174.8000108.1V192 L194 A208V192-I203 HydrophobicContact CG1-CD1 4.1Å; V192-I203 HydrophobicContact CG1-CG1 4.31Å; L194-I203 HydrophobicContact CD2-CG1 3.72Å; I203-A208 HydrophobicContact CG2-CB 3.92Å
204I79.6Confident84.9Confident65 Ų6573 Ų7333%0.33336%0.36SS..  trans-97119.1163.7-58.8-168000107.9D195 K202 F206 Y207 A208D195-I204 HydrophobicContact CB-CD1 4.11Å; D195-I204 HydrophobicContact CB-CG1 4.04Å; D195-I204 WeakPolarHBondContact OD2-CD1 3.46Å; K202-I204 PolarHBondContact O-N 3.09Å; I204-F206 VanDerWaalsContact C-N 3.32Å; I204-F206 PolarHBondContact O-N 2.87Å; I204-Y207 HydrophobicContact CB-CD2 3.87Å; I204-Y207 HydrophobicContact CD1-CD2 4.09Å; I204-Y207 HydrophobicContact CD1-CE2 4.18Å; I204-Y207 HydrophobicContact CG1-CD2 4.48Å; I204-Y207 HydrophobicContact CG2-CD2 3.81Å; I204-Y207 HydrophobicContact CG2-CE2 4.29Å; I204-Y207 HydrophobicContact CG2-CG 4.46Å; I204-Y207 PolarHBondContact O-N 2.84Å; I204-A208 VanDerWaalsContact O-CB 3.29Å; I204-A208 WeakPolarHBondContact O-CB 3.42Å; I204-A208 PolarHBondContact O-N 2.94Å
205S82.4Confident85.4Confident82 Ų8271.4 Ų71.457%0.57335%0.351SS*.Hα-helixtrans-57-41.3-170.159.80000113.6K209S205-K209 WeakPolarHBondContact O-CB 3.24Å; S205-K209 VanDerWaalsContact O-CG 3.24Å; S205-K209 WeakPolarHBondContact O-CG 3.29Å; S205-K209 PolarHBondContact O-N 3.4Å
206F82Confident86.3Confident102 Ų10270.5 Ų70.545%0.44735%0.346SS..Hα-helixtrans-62.9-53.5178.1177.6-102.9000112D86 I204 A208 K209 K210D86-F206 WeakPolarHBondContact OD1-CD2 3.27Å; D86-F206 WeakPolarHBondContact OD1-CE2 3.04Å; I204-F206 VanDerWaalsContact C-N 3.32Å; I204-F206 PolarHBondContact O-N 2.87Å; F206-A208 PolarHBondContact O-N 3.24Å; F206-K209 PolarHBondContact O-N 2.95Å; F206-K210 PolarHBondContact O-N 3.12Å; F206-K210 VanDerWaalsContact O-N 3.1Å
207Y85.1Confident87.2Confident90 Ų9066.2 Ų66.235%0.35333%0.325SS..Hα-helixtrans-64.7-40.3179-61.9-44000112.2D195 I204 K209 K210 A211 I245D195-Y207 WeakPolarHBondContact OD2-CD2 3.49Å; I204-Y207 HydrophobicContact CB-CD2 3.87Å; I204-Y207 HydrophobicContact CD1-CD2 4.09Å; I204-Y207 HydrophobicContact CD1-CE2 4.18Å; I204-Y207 HydrophobicContact CG1-CD2 4.48Å; I204-Y207 HydrophobicContact CG2-CD2 3.81Å; I204-Y207 HydrophobicContact CG2-CE2 4.29Å; I204-Y207 HydrophobicContact CG2-CG 4.46Å; I204-Y207 PolarHBondContact O-N 2.84Å; Y207-K209 VanDerWaalsContact C-N 3.32Å; Y207-K209 PolarHBondContact O-N 3.43Å; Y207-K210 PolarHBondContact O-N 3.04Å; Y207-A211 VanDerWaalsContact O-CB 3.27Å; Y207-A211 WeakPolarHBondContact O-CB 3.32Å; Y207-A211 PolarHBondContact O-N 2.83Å; Y207-I245 HydrophobicContact CD1-CG2 3.9Å; Y207-I245 HydrophobicContact CG-CG2 4.15Å
208A87.2Confident88.2Confident7 Ų759.9 Ų59.96%0.05830%0.298CS..Hα-helixtrans-62-38.3177.100000112.4F193 I203 I204 F206 R212F193-A208 HydrophobicContact CB-CB 4.19Å; I203-A208 HydrophobicContact CG2-CB 3.92Å; I204-A208 VanDerWaalsContact O-CB 3.29Å; I204-A208 WeakPolarHBondContact O-CB 3.42Å; I204-A208 PolarHBondContact O-N 2.94Å; F206-A208 PolarHBondContact O-N 3.24Å; A208-R212 VanDerWaalsContact O-CD 3.31Å; A208-R212 WeakPolarHBondContact O-CD 3.5Å; A208-R212 VanDerWaalsContact O-CG 3.24Å; A208-R212 WeakPolarHBondContact O-CG 3.09Å; A208-R212 PolarHBondContact O-N 3Å; A208-R212 VanDerWaalsContact O-N 3.1Å
209K90Very high88.9Confident92 Ų9252.6 Ų52.640%0.426%0.259SS..Hα-helixtrans-66.3-47.8174.5-73.4170.6-177.81780111.8D86 V87 S205 F206 Y207 A211 R212 G213D86-K209 HydrophobicContact CB-CB 3.47Å; D86-K209 VanDerWaalsContact CB-CB 3.47Å; D86-K209 HydrophobicContact CB-CD 4Å; D86-K209 HydrophobicContact CB-CG 4.42Å; D86-K209 WeakPolarHBondContact OD2-CD 3.47Å; D86-K209 IonicContact OD2-NZ 3.75Å; V87-K209 WeakPolarHBondContact CA-O 3.16Å; V87-K209 HydrophobicContact CG2-CB 3.89Å; V87-K209 HydrophobicContact CG2-CG 4.27Å; V87-K209 WeakPolarHBondContact CG2-O 3.5Å; S205-K209 WeakPolarHBondContact O-CB 3.24Å; S205-K209 VanDerWaalsContact O-CG 3.24Å; S205-K209 WeakPolarHBondContact O-CG 3.29Å; S205-K209 PolarHBondContact O-N 3.4Å; F206-K209 PolarHBondContact O-N 2.95Å; Y207-K209 VanDerWaalsContact C-N 3.32Å; Y207-K209 PolarHBondContact O-N 3.43Å; K209-A211 VanDerWaalsContact C-N 3.3Å; K209-A211 PolarHBondContact O-N 3.49Å; K209-R212 WeakPolarHBondContact O-CB 3.47Å; K209-R212 PolarHBondContact O-N 2.85Å; K209-G213 PolarHBondContact O-N 3.48Å
210K91.4Very high89.7Confident39 Ų3950.1 Ų50.117%0.1723%0.234CC..Hα-helixtrans-60.8-40.9177.4-171.2170.3176.3-173.40111.8D86 F206 Y207 R212 G213 L214 I245D86-K210 WeakPolarHBondContact O-CA 3.47Å; F206-K210 PolarHBondContact O-N 3.12Å; F206-K210 VanDerWaalsContact O-N 3.1Å; Y207-K210 PolarHBondContact O-N 3.04Å; K210-R212 PolarHBondContact O-N 3.2Å; K210-G213 WeakPolarHBondContact O-CA 3.2Å; K210-G213 PolarHBondContact O-N 3.01Å; K210-G213 VanDerWaalsContact O-N 3.12Å; K210-L214 HydrophobicContact CG-CD1 4.26Å; K210-L214 PolarHBondContact O-N 3.49Å; K210-I245 HydrophobicContact CB-CD1 4.27Å; K210-I245 HydrophobicContact CD-CD1 3.57Å; K210-I245 HydrophobicContact CG-CD1 3.8Å
211A91.9Very high90.3Very high2 Ų246.1 Ų46.12%0.01722%0.217CC..Hα-helixtrans-63.7-35.6177.200000113.2F193 Y207 K209 G213 L214 M215 V247F193-A211 HydrophobicContact CB-CB 4.01Å; F193-A211 HydrophobicContact CD1-CB 3.4Å; F193-A211 VanDerWaalsContact CD1-CB 3.4Å; F193-A211 HydrophobicContact CD2-CB 4.03Å; F193-A211 HydrophobicContact CE1-CB 3.8Å; F193-A211 HydrophobicContact CE2-CB 4.4Å; F193-A211 HydrophobicContact CG-CB 3.51Å; F193-A211 HydrophobicContact CZ-CB 4.28Å; Y207-A211 VanDerWaalsContact O-CB 3.27Å; Y207-A211 WeakPolarHBondContact O-CB 3.32Å; Y207-A211 PolarHBondContact O-N 2.83Å; K209-A211 VanDerWaalsContact C-N 3.3Å; K209-A211 PolarHBondContact O-N 3.49Å; A211-G213 VanDerWaalsContact C-N 3.31Å; A211-G213 PolarHBondContact O-N 2.86Å; A211-L214 PolarHBondContact O-N 3.45Å; A211-M215 VanDerWaalsContact O-CB 3.31Å; A211-M215 WeakPolarHBondContact O-CB 3.48Å; A211-M215 PolarHBondContact O-N 2.75Å; A211-V247 HydrophobicContact CB-CG1 4.3Å
212R94.5Very high91Very high49 Ų4945.4 Ų45.419%0.18522%0.218CC..Hα-helixtrans-61.2-39.9171.3-71.4156.5176.6-152.23.1112.3V87 L170 A171 F193 A208 K209 K210 S216V87-R212 HydrophobicContact CG1-CB 4.47Å; L170-R212 HydrophobicContact CB-CB 4.08Å; L170-R212 HydrophobicContact CB-CG 4.05Å; L170-R212 WeakPolarHBondContact CD1-O 3.47Å; L170-R212 HydrophobicContact CD2-CB 4.47Å; L170-R212 HydrophobicContact CD2-CG 4.12Å; L170-R212 WeakPolarHBondContact O-CD 3.42Å; L170-R212 WeakPolarHBondContact O-CG 3.38Å; L170-R212 PolarHBondContact O-NE 2.84Å; L170-R212 PolarHBondContact O-NH1 3.41Å; A171-R212 VanDerWaalsContact C-NH1 3.35Å; A171-R212 PolarHBondContact O-NH1 3.32Å; F193-R212 HydrophobicContact CD2-CG 3.95Å; F193-R212 HydrophobicContact CE2-CB 4.39Å; F193-R212 HydrophobicContact CE2-CG 3.57Å; A208-R212 VanDerWaalsContact O-CD 3.31Å; A208-R212 WeakPolarHBondContact O-CD 3.5Å; A208-R212 VanDerWaalsContact O-CG 3.24Å; A208-R212 WeakPolarHBondContact O-CG 3.09Å; A208-R212 PolarHBondContact O-N 3Å; A208-R212 VanDerWaalsContact O-N 3.1Å; K209-R212 WeakPolarHBondContact O-CB 3.47Å; K209-R212 PolarHBondContact O-N 2.85Å; K210-R212 PolarHBondContact O-N 3.2Å; R212-S216 WeakPolarHBondContact O-CB 3.38Å; R212-S216 PolarHBondContact O-N 3.17Å; R212-S216 PolarHBondContact O-OG 2.76Å
213G96Very high91.6Very high0 Ų042.9 Ų42.90%021%0.205CC..Hα-helixtrans-60.8-52.4172.800000112.5V87 G90 K209 K210 A211 M215 S216 R217V87-G213 WeakPolarHBondContact O-CA 3.49Å; G90-G213 VanDerWaalsContact C-C 3.44Å; G90-G213 CarbonylContact O-C 3.58Å; K209-G213 PolarHBondContact O-N 3.48Å; K210-G213 WeakPolarHBondContact O-CA 3.2Å; K210-G213 PolarHBondContact O-N 3.01Å; K210-G213 VanDerWaalsContact O-N 3.12Å; A211-G213 VanDerWaalsContact C-N 3.31Å; A211-G213 PolarHBondContact O-N 2.86Å; G213-M215 VanDerWaalsContact C-N 3.34Å; G213-M215 PolarHBondContact O-N 3.17Å; G213-S216 WeakPolarHBondContact O-CB 3.48Å; G213-S216 PolarHBondContact O-N 3Å; G213-R217 PolarHBondContact O-N 2.9Å
214L94.7Very high92.3Very high9 Ų938.1 Ų38.15%0.04718%0.18CC..Hα-helixtrans-61.3-40.7179.2-70.9166.6000112.2G90 K210 A211 R217 F218 F233 V238 I245G90-L214 WeakPolarHBondContact O-CD2 3.3Å; G90-L214 PolarHBondContact O-N 3.46Å; K210-L214 HydrophobicContact CG-CD1 4.26Å; K210-L214 PolarHBondContact O-N 3.49Å; A211-L214 PolarHBondContact O-N 3.45Å; L214-R217 WeakPolarHBondContact O-CB 3.47Å; L214-R217 PolarHBondContact O-N 3.01Å; L214-F218 VanDerWaalsContact O-CB 3.31Å; L214-F218 WeakPolarHBondContact O-CB 3.27Å; L214-F218 PolarHBondContact O-N 3.46Å; L214-F233 HydrophobicContact CB-CE2 3.92Å; L214-F233 HydrophobicContact CB-CZ 3.86Å; L214-V238 HydrophobicContact CD2-CB 4.38Å; L214-V238 HydrophobicContact CD2-CG1 4.31Å; L214-V238 HydrophobicContact CD2-CG2 4.14Å; L214-I245 HydrophobicContact CD1-CD1 3.65Å
215M94.4Very high92.8Very high0 Ų038.5 Ų38.50%019%0.186CC..Hα-helixtrans-63.8-43.5175.4177.664.479.500111.1L170 F193 A211 G213 R217 F218 I219 L230 F233L170-M215 HydrophobicContact CD1-CB 4.05Å; L170-M215 HydrophobicContact CD1-CG 3.84Å; L170-M215 HydrophobicContact CD2-CB 4.38Å; L170-M215 HydrophobicContact CD2-CG 4.09Å; F193-M215 HydrophobicContact CE1-CB 4.4Å; F193-M215 HydrophobicContact CE1-CE 4.16Å; F193-M215 HydrophobicContact CZ-CB 3.84Å; F193-M215 HydrophobicContact CZ-CE 4.22Å; F193-M215 HydrophobicContact CZ-CG 4.26Å; A211-M215 VanDerWaalsContact O-CB 3.31Å; A211-M215 WeakPolarHBondContact O-CB 3.48Å; A211-M215 PolarHBondContact O-N 2.75Å; G213-M215 VanDerWaalsContact C-N 3.34Å; G213-M215 PolarHBondContact O-N 3.17Å; M215-R217 VanDerWaalsContact C-N 3.32Å; M215-R217 PolarHBondContact O-N 3.22Å; M215-F218 PolarHBondContact O-N 2.89Å; M215-F218 HydrophobicContact SD-CD1 4.28Å; M215-I219 HydrophobicContact CG-CD1 4.03Å; M215-I219 VanDerWaalsContact O-CG1 3.29Å; M215-I219 WeakPolarHBondContact O-CG1 3.37Å; M215-I219 PolarHBondContact O-N 3.18Å; M215-I219 HydrophobicContact SD-CD1 4.22Å; M215-I219 HydrophobicContact SD-CG1 4.33Å; M215-L230 HydrophobicContact SD-CD2 3.92Å; M215-F233 HydrophobicContact CB-CD2 4.37Å; M215-F233 HydrophobicContact CB-CE2 4.06Å; M215-F233 HydrophobicContact CB-CZ 4.24Å; M215-F233 HydrophobicContact CE-CB 3.49Å; M215-F233 VanDerWaalsContact CE-CB 3.49Å; M215-F233 HydrophobicContact CE-CD1 3.47Å; M215-F233 VanDerWaalsContact CE-CD1 3.47Å; M215-F233 HydrophobicContact CE-CD2 3.91Å; M215-F233 HydrophobicContact CE-CE1 4.14Å; M215-F233 HydrophobicContact CE-CG 3.32Å; M215-F233 HydrophobicContact SD-CB 4.01Å; M215-F233 HydrophobicContact SD-CD2 3.88Å; M215-F233 HydrophobicContact SD-CG 3.87Å
216S97.6Very high93.2Very high0 Ų040.8 Ų40.80%019%0.185CC..Hα-helixtrans-59.7-46.3175.9-57.10000110.8I5 L170 R212 G213 I219 I220I5-S216 WeakPolarHBondContact CG2-OG 3.34Å; L170-S216 VanDerWaalsContact CD1-OG 3.23Å; L170-S216 WeakPolarHBondContact CD1-OG 3.42Å; R212-S216 WeakPolarHBondContact O-CB 3.38Å; R212-S216 PolarHBondContact O-N 3.17Å; R212-S216 PolarHBondContact O-OG 2.76Å; G213-S216 WeakPolarHBondContact O-CB 3.48Å; G213-S216 PolarHBondContact O-N 3Å; S216-I219 PolarHBondContact O-N 3.38Å; S216-I220 WeakPolarHBondContact O-CB 3.46Å; S216-I220 WeakPolarHBondContact O-CD1 3.48Å; S216-I220 WeakPolarHBondContact O-CG1 3.35Å; S216-I220 PolarHBondContact O-N 2.78Å
217R97.1Very high93.6Very high15 Ų1537.1 Ų37.16%0.05717%0.172CC..Hα-helixtrans-58.7-49174.8-179.9-179.6-176.297.5-4111.9L91 Q92 T95 F96 G213 L214 M215 I219 I220 E221L91-R217 HydrophobicContact CD1-CB 4.22Å; L91-R217 PolarHBondContact O-NH1 3Å; L91-R217 VanDerWaalsContact O-NH1 3.07Å; Q92-R217 PolarHBondContact O-NH1 3.26Å; T95-R217 PolarHBondContact OG1-NH1 3.37Å; T95-R217 PolarHBondContact OG1-NH2 3.14Å; F96-R217 HydrophobicContact CE1-CG 4.24Å; G213-R217 PolarHBondContact O-N 2.9Å; L214-R217 WeakPolarHBondContact O-CB 3.47Å; L214-R217 PolarHBondContact O-N 3.01Å; M215-R217 VanDerWaalsContact C-N 3.32Å; M215-R217 PolarHBondContact O-N 3.22Å; R217-I219 VanDerWaalsContact C-N 3.33Å; R217-I219 PolarHBondContact O-N 3.32Å; R217-I220 CarbonylContact O-C 3.58Å; R217-I220 PolarHBondContact O-N 3.27Å; R217-I220 VanDerWaalsContact O-N 3.09Å; R217-E221 HydrophobicContact CG-CG 3.96Å; R217-E221 WeakPolarHBondContact CG-OE2 3.34Å; R217-E221 VanDerWaalsContact CZ-CD 3.5Å; R217-E221 IonicContact CZ-OE1 3.37Å; R217-E221 IonicContact CZ-OE2 2.84Å; R217-E221 IonicContact NE-OE1 2.69Å; R217-E221 PolarHBondContact NE-OE1 3.27Å; R217-E221 IonicContact NE-OE2 2.77Å; R217-E221 PolarHBondContact NE-OE2 3.41Å; R217-E221 IonicContact NH1-OE1 3.04Å; R217-E221 IonicContact NH2-OE1 2.83Å; R217-E221 PolarHBondContact NH2-OE1 2.86Å; R217-E221 IonicContact NH2-OE2 2.76Å; R217-E221 WeakPolarHBondContact O-CG 3.45Å; R217-E221 PolarHBondContact O-N 2.9Å
218F95.7Very high93.9Very high15 Ų1539 Ų397%0.06618%0.184CC..Hα-helixtrans-57.4-45.4-179.5175-113.6000111.9L214 M215 I220 N222 L224 F233 A237L214-F218 VanDerWaalsContact O-CB 3.31Å; L214-F218 WeakPolarHBondContact O-CB 3.27Å; L214-F218 PolarHBondContact O-N 3.46Å; M215-F218 PolarHBondContact O-N 2.89Å; M215-F218 HydrophobicContact SD-CD1 4.28Å; F218-I220 VanDerWaalsContact C-N 3.35Å; F218-N222 WeakPolarHBondContact CD2-ND2 3.35Å; F218-N222 WeakPolarHBondContact CE2-ND2 3.31Å; F218-N222 WeakPolarHBondContact O-CB 3.2Å; F218-N222 PolarHBondContact O-N 3.4Å; F218-N222 VanDerWaalsContact O-N 3.17Å; F218-N222 PolarHBondContact O-ND2 2.91Å; F218-L224 HydrophobicContact CD1-CD1 3.73Å; F218-L224 HydrophobicContact CE1-CD1 3.41Å; F218-L224 VanDerWaalsContact CE1-CD1 3.41Å; F218-L224 HydrophobicContact CZ-CD1 4.03Å; F218-F233 HydrophobicContact CB-CD2 3.84Å; F218-F233 HydrophobicContact CB-CE2 4.22Å; F218-F233 HydrophobicContact CD1-CB 3.93Å; F218-F233 AromaticContact CD1-CD2 3.8Å; F218-F233 HydrophobicContact CD1-CD2 3.8Å; F218-F233 HydrophobicContact CD1-CG 4.36Å; F218-F233 HydrophobicContact CE1-CB 3.92Å; F218-F233 AromaticContact CG-CD2 3.88Å; F218-F233 HydrophobicContact CG-CD2 3.88Å; F218-A237 HydrophobicContact CD2-CB 4.04Å; F218-A237 HydrophobicContact CE2-CB 3.83Å
219I96.4Very high94Very high0 Ų042.4 Ų42.40%020%0.199CC..Hα-helixtrans-60.5-46.4174.6-65.6163.8000110.6M1 I3 F103 I168 M215 S216 R217 R223 L224 L230M1-I219 HydrophobicContact SD-CD1 4.18Å; M1-I219 HydrophobicContact SD-CG1 4.44Å; M1-I219 HydrophobicContact SD-CG2 4.05Å; I3-I219 HydrophobicContact CD1-CB 3.78Å; I3-I219 HydrophobicContact CD1-CD1 3.98Å; I3-I219 HydrophobicContact CD1-CG2 3.57Å; I3-I219 HydrophobicContact CG1-CD1 3.99Å; I3-I219 HydrophobicContact CG1-CG2 4.1Å; F103-I219 HydrophobicContact CE1-CG2 4.37Å; I168-I219 HydrophobicContact CG1-CD1 4.34Å; I168-I219 HydrophobicContact CG2-CD1 4.33Å; M215-I219 HydrophobicContact CG-CD1 4.03Å; M215-I219 VanDerWaalsContact O-CG1 3.29Å; M215-I219 WeakPolarHBondContact O-CG1 3.37Å; M215-I219 PolarHBondContact O-N 3.18Å; M215-I219 HydrophobicContact SD-CD1 4.22Å; M215-I219 HydrophobicContact SD-CG1 4.33Å; S216-I219 PolarHBondContact O-N 3.38Å; R217-I219 VanDerWaalsContact C-N 3.33Å; R217-I219 PolarHBondContact O-N 3.32Å; I219-R223 WeakPolarHBondContact O-CA 3.37Å; I219-R223 PolarHBondContact O-N 2.86Å; I219-R223 VanDerWaalsContact O-N 3.07Å; I219-L224 HydrophobicContact CG1-CD1 4.23Å; I219-L224 HydrophobicContact CG2-CB 4.2Å; I219-L224 PolarHBondContact O-N 2.95Å; I219-L230 HydrophobicContact CD1-CD2 3.58Å; I219-L230 HydrophobicContact CG1-CD2 3.48Å; I219-L230 VanDerWaalsContact CG1-CD2 3.48Å
220I97.8Very high94Very high0 Ų038.1 Ų38.10%018%0.18CC..Hα-helixtrans-63.6-60.8-177.9-69.7161000110.3I3 L91 F96 N100 F103 A104 L108 S216 R217 F218 N222 R223I3-I220 HydrophobicContact CD1-CG1 4.18Å; L91-I220 HydrophobicContact CD1-CD1 4.04Å; F96-I220 HydrophobicContact CE2-CD1 4.04Å; F96-I220 HydrophobicContact CE2-CG2 4.05Å; F96-I220 HydrophobicContact CZ-CB 4.48Å; F96-I220 HydrophobicContact CZ-CD1 4Å; F96-I220 HydrophobicContact CZ-CG2 4.05Å; N100-I220 HydrophobicContact CB-CG2 4.15Å; F103-I220 HydrophobicContact CD1-CB 4.16Å; F103-I220 HydrophobicContact CD1-CG1 4.11Å; F103-I220 HydrophobicContact CD1-CG2 4.17Å; F103-I220 HydrophobicContact CE1-CG1 4.44Å; A104-I220 HydrophobicContact CB-CD1 3.87Å; A104-I220 HydrophobicContact CB-CG1 4.26Å; A104-I220 HydrophobicContact CB-CG2 4.32Å; L108-I220 HydrophobicContact CD2-CD1 4.22Å; S216-I220 WeakPolarHBondContact O-CB 3.46Å; S216-I220 WeakPolarHBondContact O-CD1 3.48Å; S216-I220 WeakPolarHBondContact O-CG1 3.35Å; S216-I220 PolarHBondContact O-N 2.78Å; R217-I220 CarbonylContact O-C 3.58Å; R217-I220 PolarHBondContact O-N 3.27Å; R217-I220 VanDerWaalsContact O-N 3.09Å; F218-I220 VanDerWaalsContact C-N 3.35Å; I220-N222 VanDerWaalsContact C-N 3.29Å; I220-N222 PolarHBondContact O-N 3.11Å; I220-R223 PolarHBondContact O-N 3.33Å; I220-R223 PolarHBondContact O-NH1 3.29Å
221E96.8Very high93.7Very high57 Ų5741.7 Ų41.727%0.26621%0.205SC..Hα-helixtrans-59.8-37.1-174-68.6-168.9133.100112.9R217 R223R217-E221 HydrophobicContact CG-CG 3.96Å; R217-E221 WeakPolarHBondContact CG-OE2 3.34Å; R217-E221 VanDerWaalsContact CZ-CD 3.5Å; R217-E221 IonicContact CZ-OE1 3.37Å; R217-E221 IonicContact CZ-OE2 2.84Å; R217-E221 IonicContact NE-OE1 2.69Å; R217-E221 PolarHBondContact NE-OE1 3.27Å; R217-E221 IonicContact NE-OE2 2.77Å; R217-E221 PolarHBondContact NE-OE2 3.41Å; R217-E221 IonicContact NH1-OE1 3.04Å; R217-E221 IonicContact NH2-OE1 2.83Å; R217-E221 PolarHBondContact NH2-OE1 2.86Å; R217-E221 IonicContact NH2-OE2 2.76Å; R217-E221 WeakPolarHBondContact O-CG 3.45Å; R217-E221 PolarHBondContact O-N 2.9Å; E221-R223 PolarHBondContact O-NH1 2.81Å
222N96.3Very high93.3Very high85 Ų8543.7 Ų43.746%0.45523%0.226SC..THydrogen-bonded Turntrans-92.64-179.7-62.2-83000113.6F218 I220 L224F218-N222 WeakPolarHBondContact CD2-ND2 3.35Å; F218-N222 WeakPolarHBondContact CE2-ND2 3.31Å; F218-N222 WeakPolarHBondContact O-CB 3.2Å; F218-N222 PolarHBondContact O-N 3.4Å; F218-N222 VanDerWaalsContact O-N 3.17Å; F218-N222 PolarHBondContact O-ND2 2.91Å; I220-N222 VanDerWaalsContact C-N 3.29Å; I220-N222 PolarHBondContact O-N 3.11Å; N222-L224 VanDerWaalsContact C-N 3.25Å; N222-L224 HydrophobicContact CB-CD2 3.63Å; N222-L224 HydrophobicContact CB-CG 4.03Å; N222-L224 PolarHBondContact O-N 3.29Å
223R96.5Very high92.8Very high80 Ų8042.5 Ų42.530%0.30222%0.223SC..THydrogen-bonded Turntrans52.742.9178.3-53.4-66.9-174.9-81.6-2.5112.2D99 N100 F103 I219 I220 E221 T225D99-R223 PolarHBondContact O-NH2 3.21Å; N100-R223 PolarHBondContact OD1-NH1 2.96Å; N100-R223 PolarHBondContact OD1-NH2 3.47Å; F103-R223 HydrophobicContact CD2-CB 4.34Å; F103-R223 HydrophobicContact CD2-CG 4.32Å; F103-R223 HydrophobicContact CE2-CB 3.97Å; F103-R223 HydrophobicContact CE2-CG 4.44Å; F103-R223 HydrophobicContact CZ-CB 4.4Å; I219-R223 WeakPolarHBondContact O-CA 3.37Å; I219-R223 PolarHBondContact O-N 2.86Å; I219-R223 VanDerWaalsContact O-N 3.07Å; I220-R223 PolarHBondContact O-N 3.33Å; I220-R223 PolarHBondContact O-NH1 3.29Å; E221-R223 PolarHBondContact O-NH1 2.81Å; R223-T225 PolarHBondContact O-N 3.04Å
224L95Very high91.5Very high11 Ų1146.7 Ų46.76%0.05825%0.245CC..  trans-68.2131.6-175.3-53.3-174.1000110.3F218 I219 N222 Q229 L230F218-L224 HydrophobicContact CD1-CD1 3.73Å; F218-L224 HydrophobicContact CE1-CD1 3.41Å; F218-L224 VanDerWaalsContact CE1-CD1 3.41Å; F218-L224 HydrophobicContact CZ-CD1 4.03Å; I219-L224 HydrophobicContact CG1-CD1 4.23Å; I219-L224 HydrophobicContact CG2-CB 4.2Å; I219-L224 PolarHBondContact O-N 2.95Å; N222-L224 VanDerWaalsContact C-N 3.25Å; N222-L224 HydrophobicContact CB-CD2 3.63Å; N222-L224 HydrophobicContact CB-CG 4.03Å; N222-L224 PolarHBondContact O-N 3.29Å; L224-Q229 HydrophobicContact CB-CB 4.32Å; L224-Q229 HydrophobicContact CD1-CB 4Å; L224-Q229 HydrophobicContact CD2-CB 3.88Å; L224-Q229 HydrophobicContact CD2-CG 4.48Å; L224-Q229 HydrophobicContact CG-CB 4.29Å; L224-L230 HydrophobicContact CD1-CD2 4.24Å
225T91Very high89.5Confident74 Ų7448 Ų4845%0.45426%0.255SS..  trans-117.6-15.3-177.149.80000112.6R223R223-T225 PolarHBondContact O-N 3.04Å
226K91Very high87.1Confident129 Ų12954.9 Ų54.956%0.56129%0.287SS*.SBendtrans-122.2136.4-175.9-56.6-175.5179-179.40112.5M1 E228 Q229M1-K226 WeakPolarHBondContact CE-O 3.39Å; K226-E228 WeakPolarHBondContact CB-OE2 3.03Å; K226-E228 PolarHBondContact O-N 3.04Å; K226-Q229 HydrophobicContact CB-CG 4.17Å; K226-Q229 WeakPolarHBondContact O-CB 3.17Å; K226-Q229 PolarHBondContact O-N 3.31Å; K226-Q229 VanDerWaalsContact O-N 3.1Å
227P90.4Very high84.5Confident26 Ų2656.8 Ų56.817%0.16930%0.303CS..G310 helixtrans-48.1-39.8177.2-34.339.2000115.9V166 I189 Q229 L230V166-P227 HydrophobicContact CG1-CG 3.9Å; V166-P227 HydrophobicContact CG2-CG 3.95Å; I189-P227 HydrophobicContact CD1-CB 3.42Å; I189-P227 VanDerWaalsContact CD1-CB 3.42Å; I189-P227 HydrophobicContact CD1-CG 3.54Å; P227-Q229 PolarHBondContact O-N 3.44Å; P227-L230 VanDerWaalsContact O-CB 3.23Å; P227-L230 WeakPolarHBondContact O-CB 3.48Å; P227-L230 VanDerWaalsContact O-CG 3.23Å; P227-L230 WeakPolarHBondContact O-CG 3.5Å; P227-L230 PolarHBondContact O-N 3.33Å
228E89.8Confident81.8Confident130 Ų13056.7 Ų56.761%0.60730%0.303SS*.G310 helixtrans-64.2-25.2-175.1-57.178-171.500111.4K226 L230 T231K226-E228 WeakPolarHBondContact CB-OE2 3.03Å; K226-E228 PolarHBondContact O-N 3.04Å; E228-L230 PolarHBondContact O-N 2.9Å; E228-T231 PolarHBondContact O-N 2.82Å; E228-T231 PolarHBondContact O-OG1 3.49Å
229Q90Very high78.8Confident77 Ų7763 Ų6336%0.3634%0.343SS..G310 helixtrans-69.6-19.2178.2-57.1176.3-77.200112.4L224 K226 P227 T231 G232L224-Q229 HydrophobicContact CB-CB 4.32Å; L224-Q229 HydrophobicContact CD1-CB 4Å; L224-Q229 HydrophobicContact CD2-CB 3.88Å; L224-Q229 HydrophobicContact CD2-CG 4.48Å; L224-Q229 HydrophobicContact CG-CB 4.29Å; K226-Q229 HydrophobicContact CB-CG 4.17Å; K226-Q229 WeakPolarHBondContact O-CB 3.17Å; K226-Q229 PolarHBondContact O-N 3.31Å; K226-Q229 VanDerWaalsContact O-N 3.1Å; P227-Q229 PolarHBondContact O-N 3.44Å; Q229-T231 PolarHBondContact O-N 3.24Å; Q229-G232 PolarHBondContact O-N 3.03Å; Q229-G232 VanDerWaalsContact O-N 3.1Å
230L89.5Confident75.7Confident2 Ų264.5 Ų64.51%0.0136%0.356CS..G310 helixtrans-66.4-21.9179.2-59.6177.6000112.6M1 I168 M215 I219 L224 P227 E228 G232 F233 I251M1-L230 HydrophobicContact CE-CD1 4.44Å; M1-L230 HydrophobicContact CE-CD2 4.41Å; M1-L230 HydrophobicContact CE-CG 4.37Å; M1-L230 HydrophobicContact SD-CD2 4.17Å; I168-L230 HydrophobicContact CD1-CD1 3.6Å; I168-L230 HydrophobicContact CG1-CD1 4.17Å; I168-L230 HydrophobicContact CG2-CD1 4.46Å; M215-L230 HydrophobicContact SD-CD2 3.92Å; I219-L230 HydrophobicContact CD1-CD2 3.58Å; I219-L230 HydrophobicContact CG1-CD2 3.48Å; I219-L230 VanDerWaalsContact CG1-CD2 3.48Å; L224-L230 HydrophobicContact CD1-CD2 4.24Å; P227-L230 VanDerWaalsContact O-CB 3.23Å; P227-L230 WeakPolarHBondContact O-CB 3.48Å; P227-L230 VanDerWaalsContact O-CG 3.23Å; P227-L230 WeakPolarHBondContact O-CG 3.5Å; P227-L230 PolarHBondContact O-N 3.33Å; E228-L230 PolarHBondContact O-N 2.9Å; L230-G232 PolarHBondContact O-N 2.98Å; L230-F233 WeakPolarHBondContact O-CB 3.47Å; L230-F233 PolarHBondContact O-N 3.11Å; L230-I251 HydrophobicContact CB-CD1 3.56Å
231T85.7Confident72.6Confident114 Ų11471.2 Ų71.270%0.69940%0.399SS*.G310 helixtrans-68.9-17.2174.962.70000112.5E228 Q229 F233 I251E228-T231 PolarHBondContact O-N 2.82Å; E228-T231 PolarHBondContact O-OG1 3.49Å; Q229-T231 PolarHBondContact O-N 3.24Å; T231-F233 PolarHBondContact O-N 3.39Å; T231-I251 HydrophobicContact CG2-CD1 3.84Å
232G83.5Confident69.7Low44 Ų4470.6 Ų70.645%0.45440%0.399SS..G310 helixtrans-72.1-5.6170.100000113.5Q229 L230 N234Q229-G232 PolarHBondContact O-N 3.03Å; Q229-G232 VanDerWaalsContact O-N 3.1Å; L230-G232 PolarHBondContact O-N 2.98Å; G232-N234 PolarHBondContact O-N 2.81Å
233F83.7Confident66.7Low25 Ų2572.5 Ų72.511%0.1141%0.414CS..  trans-67.596.9174.7-177.9-103.2000110.3F193 L214 M215 F218 L230 T231 A249F193-F233 HydrophobicContact CD1-CE1 4.41Å; F193-F233 HydrophobicContact CE1-CD1 4.32Å; F193-F233 AromaticContact CE1-CE1 3.77Å; F193-F233 HydrophobicContact CE1-CE1 3.77Å; F193-F233 HydrophobicContact CE1-CZ 4.42Å; L214-F233 HydrophobicContact CB-CE2 3.92Å; L214-F233 HydrophobicContact CB-CZ 3.86Å; M215-F233 HydrophobicContact CB-CD2 4.37Å; M215-F233 HydrophobicContact CB-CE2 4.06Å; M215-F233 HydrophobicContact CB-CZ 4.24Å; M215-F233 HydrophobicContact CE-CB 3.49Å; M215-F233 VanDerWaalsContact CE-CB 3.49Å; M215-F233 HydrophobicContact CE-CD1 3.47Å; M215-F233 VanDerWaalsContact CE-CD1 3.47Å; M215-F233 HydrophobicContact CE-CD2 3.91Å; M215-F233 HydrophobicContact CE-CE1 4.14Å; M215-F233 HydrophobicContact CE-CG 3.32Å; M215-F233 HydrophobicContact SD-CB 4.01Å; M215-F233 HydrophobicContact SD-CD2 3.88Å; M215-F233 HydrophobicContact SD-CG 3.87Å; F218-F233 HydrophobicContact CB-CD2 3.84Å; F218-F233 HydrophobicContact CB-CE2 4.22Å; F218-F233 HydrophobicContact CD1-CB 3.93Å; F218-F233 AromaticContact CD1-CD2 3.8Å; F218-F233 HydrophobicContact CD1-CD2 3.8Å; F218-F233 HydrophobicContact CD1-CG 4.36Å; F218-F233 HydrophobicContact CE1-CB 3.92Å; F218-F233 AromaticContact CG-CD2 3.88Å; F218-F233 HydrophobicContact CG-CD2 3.88Å; L230-F233 WeakPolarHBondContact O-CB 3.47Å; L230-F233 PolarHBondContact O-N 3.11Å; T231-F233 PolarHBondContact O-N 3.39Å; F233-A249 HydrophobicContact CD1-CB 3.97Å; F233-A249 HydrophobicContact CE1-CB 4.48Å
234N69.1Low64Low88 Ų8871.8 Ų71.847%0.47143%0.425SS..  trans-108.1151.2164.5-168.49.1000108.8G232 E236 A237G232-N234 PolarHBondContact O-N 2.81Å; N234-E236 PolarHBondContact O-N 2.88Å; N234-A237 WeakPolarHBondContact O-CB 3.47Å; N234-A237 PolarHBondContact O-N 3.2Å
235S53.1Low61.8Low36 Ų3672 Ų7225%0.25243%0.426SS..THydrogen-bonded Turntrans-56.2-21177.353.40000113.4I245S235-I245 WeakPolarHBondContact CB-O 3.41Å
236E43.9Very low59.8Low145 Ų14572.6 Ų72.668%0.67843%0.432SS*.THydrogen-bonded Turntrans-88.9-13.3178.7-61.5-175.7169.100114.4N234 V238N234-E236 PolarHBondContact O-N 2.88Å; E236-V238 PolarHBondContact O-N 3.06Å; E236-V238 VanDerWaalsContact O-N 3.1Å
237A43.1Very low58.1Low40 Ų4067.7 Ų67.733%0.33141%0.412SS..SBendtrans-73.2-1.2-175.600000113.8F218 N234F218-A237 HydrophobicContact CD2-CB 4.04Å; F218-A237 HydrophobicContact CE2-CB 3.83Å; N234-A237 WeakPolarHBondContact O-CB 3.47Å; N234-A237 PolarHBondContact O-N 3.2Å
238V39Very low56.5Low12 Ų1270.6 Ų70.67%0.07343%0.425CS..SBendtrans-106.4106.7173.3-177.90000107.7L214 E236 A240L214-V238 HydrophobicContact CD2-CB 4.38Å; L214-V238 HydrophobicContact CD2-CG1 4.31Å; L214-V238 HydrophobicContact CD2-CG2 4.14Å; E236-V238 PolarHBondContact O-N 3.06Å; E236-V238 VanDerWaalsContact O-N 3.1Å; V238-A240 PolarHBondContact O-N 3.04Å
239V33.3Very low55Low149 Ų14965.8 Ų65.890%0.90341%0.408SS*.  trans-71.373.7179.4-168.20000109.9
240A32.2Very low53.6Low31 Ų3165 Ų6526%0.25641%0.409SS..SBendtrans-149.4151.7167.300000107.9V238 V242V238-A240 PolarHBondContact O-N 3.04Å; A240-V242 PolarHBondContact O-N 3.41Å
241P32.8Very low52.4Low141 Ų14167.4 Ų67.492%0.91642%0.421SS*.  trans-7677.2-172.932.7-33.6000109.6
242V34.3Very low51.4Low43 Ų4365.7 Ų65.726%0.26141%0.407SS..  trans-109.1119.1170.2-175.70000105.9A240 A244 I245A240-V242 PolarHBondContact O-N 3.41Å; V242-A244 PolarHBondContact O-N 3.16Å; V242-A244 VanDerWaalsContact O-N 3.16Å; V242-I245 HydrophobicContact CG1-CG1 4.48Å
243T33.2Very low50.4Low126 Ų12667.1 Ų67.177%0.77341%0.407SS*.  trans-43.6124.1167.5400000109.2I245T243-I245 PolarHBondContact O-N 3.44Å
244A41.5Very low49.3Very low65 Ų6568.1 Ų68.154%0.53741%0.413SS..  trans-45.5115.6-179.200000109.2V242 P246V242-A244 PolarHBondContact O-N 3.16Å; V242-A244 VanDerWaalsContact O-N 3.16Å; A244-P246 WeakPolarHBondContact O-CD 3.02Å
245I46.9Very low48.2Very low14 Ų1467.9 Ų67.97%0.07242%0.423CS..  trans-81.7118.8174-48.8-178.9000105.2Y207 K210 L214 S235 V242 T243 V247Y207-I245 HydrophobicContact CD1-CG2 3.9Å; Y207-I245 HydrophobicContact CG-CG2 4.15Å; K210-I245 HydrophobicContact CB-CD1 4.27Å; K210-I245 HydrophobicContact CD-CD1 3.57Å; K210-I245 HydrophobicContact CG-CD1 3.8Å; L214-I245 HydrophobicContact CD1-CD1 3.65Å; S235-I245 WeakPolarHBondContact CB-O 3.41Å; V242-I245 HydrophobicContact CG1-CG1 4.48Å; T243-I245 PolarHBondContact O-N 3.44Å; I245-V247 HydrophobicContact CB-CG2 4.44Å; I245-V247 HydrophobicContact CG2-CB 4.33Å; I245-V247 HydrophobicContact CG2-CG2 3.49Å; I245-V247 VanDerWaalsContact CG2-CG2 3.49Å; I245-V247 PolarHBondContact O-N 3.4Å
246P49.2Very low48.3Very low88 Ų8870.7 Ų70.757%0.57143%0.429SS*.  trans-74.971.1179.932.5-34.7000109.4D195 A244D195-P246 VanDerWaalsContact OD1-O 3.11Å; A244-P246 WeakPolarHBondContact O-CD 3.02Å
247V55.1Low48.2Very low26 Ų2673.8 Ų73.816%0.15845%0.449CS..EExtended strand (participates in β ladder)trans-116.6118.9179.8168.10000108.4F193 L194 A211 I245F193-V247 HydrophobicContact CB-CG1 3.59Å; F193-V247 HydrophobicContact CD1-CG1 3.73Å; F193-V247 HydrophobicContact CG-CG1 4.12Å; L194-V247 WeakPolarHBondContact O-CA 3.44Å; A211-V247 HydrophobicContact CB-CG1 4.3Å; I245-V247 HydrophobicContact CB-CG2 4.44Å; I245-V247 HydrophobicContact CG2-CB 4.33Å; I245-V247 HydrophobicContact CG2-CG2 3.49Å; I245-V247 VanDerWaalsContact CG2-CG2 3.49Å; I245-V247 PolarHBondContact O-N 3.4Å
248I57.5Low48.4Very low86 Ų8675.5 Ų75.544%0.44146%0.455SS..EExtended strand (participates in β ladder)trans-81119.4164.9-58.2-170.1000107L194 F201L194-I248 PolarHBondContact N-O 2.72Å; L194-I248 PolarHBondContact O-N 2.64Å; F201-I248 HydrophobicContact CE1-CD1 3.51Å; F201-I248 HydrophobicContact CE1-CG1 4.22Å; F201-I248 HydrophobicContact CZ-CD1 3.95Å
249A58.5Low48.9Very low30 Ų3078.8 Ų78.825%0.24848%0.475CS..EExtended strand (participates in β ladder)trans-83.1112.5169.800000108.9F193 F233F193-A249 HydrophobicContact CD1-CB 4.09Å; F193-A249 HydrophobicContact CE1-CB 4.04Å; F233-A249 HydrophobicContact CD1-CB 3.97Å; F233-A249 HydrophobicContact CE1-CB 4.48Å
250T61Low49.8Very low60 Ų6074.9 Ų74.937%0.36845%0.451SS..EExtended strand (participates in β ladder)trans-93.2120.6165.5-56.90000108.2V192 I252V192-T250 PolarHBondContact N-O 3.48Å; V192-T250 PolarHBondContact O-N 3.45Å; T250-I252 HydrophobicContact CG2-CG1 4.22Å
251I63.2Low50.8Low53 Ų5377.5 Ų77.527%0.27246%0.463SS..EExtended strand (participates in β ladder)trans-86117.1175.5-61.2173.3000108I189 L230 T231I189-I251 HydrophobicContact CG2-CG2 3.46Å; I189-I251 VanDerWaalsContact CG2-CG2 3.46Å; L230-I251 HydrophobicContact CB-CD1 3.56Å; T231-I251 HydrophobicContact CG2-CD1 3.84Å
252I65.8Low52Low77 Ų7773.5 Ų73.540%0.39543%0.434SS..EExtended strand (participates in β ladder)trans-107114.7173.4-55.5-176.6000107.9K190 V192 T250 I254K190-I252 PolarHBondContact N-O 3.14Å; K190-I252 PolarHBondContact O-N 2.76Å; V192-I252 HydrophobicContact CB-CD1 4.32Å; V192-I252 HydrophobicContact CG2-CD1 3.54Å; V192-I252 HydrophobicContact CG2-CG1 4.03Å; T250-I252 HydrophobicContact CG2-CG1 4.22Å; I252-I254 HydrophobicContact CG2-CG1 4.15Å
253T62.3Low53.1Low75 Ų7575.5 Ų75.546%0.4645%0.446SS..EExtended strand (participates in β ladder)trans-80.1125.9166.3-61.80000108.7E187E187-T253 HydrophobicContact CG-CG2 4.07Å; E187-T253 WeakPolarHBondContact OE1-CG2 3.18Å
254I59.6Low54.6Low45 Ų4571.9 Ų71.923%0.23142%0.422CS..EExtended strand (participates in β ladder)trans-107.9102.6176.2-52.2176000107.9I188 K190 I252 Y256I188-I254 PolarHBondContact O-N 2.93Å; K190-I254 HydrophobicContact CB-CD1 3.79Å; K190-I254 HydrophobicContact CB-CG1 4.36Å; K190-I254 HydrophobicContact CD-CD1 3.91Å; I252-I254 HydrophobicContact CG2-CG1 4.15Å; I254-Y256 HydrophobicContact CB-CD2 4.39Å; I254-Y256 HydrophobicContact CB-CE2 3.78Å; I254-Y256 HydrophobicContact CG2-CD2 3.84Å; I254-Y256 HydrophobicContact CG2-CE1 4.09Å; I254-Y256 HydrophobicContact CG2-CE2 3.3Å; I254-Y256 HydrophobicContact CG2-CG 4.43Å; I254-Y256 VanDerWaalsContact CG2-CZ 3.46Å; I254-Y256 WeakPolarHBondContact O-CD2 3.48Å; I254-Y256 PolarHBondContact O-N 3.42Å
255A46.8Very low55.6Low84 Ų8472.5 Ų72.569%0.69441%0.414SS*.  trans-75.2118.4166.900000108.9
256Y55.1Low56.3Low94 Ų9477.3 Ų77.337%0.36944%0.442SS..  trans-96.6111.4168-67.1-90000107.6P181 I188 I254P181-Y256 HydrophobicContact CB-CD1 3.54Å; P181-Y256 HydrophobicContact CB-CD2 3.66Å; P181-Y256 HydrophobicContact CB-CE1 3.52Å; P181-Y256 HydrophobicContact CB-CE2 3.65Å; P181-Y256 HydrophobicContact CB-CG 3.6Å; P181-Y256 HydrophobicContact CG-CD1 4.35Å; P181-Y256 HydrophobicContact CG-CE1 3.86Å; P181-Y256 HydrophobicContact CG-CE2 4.28Å; I188-Y256 HydrophobicContact CB-CD2 4.38Å; I188-Y256 HydrophobicContact CB-CE2 4.07Å; I188-Y256 HydrophobicContact CD1-CD2 3.67Å; I188-Y256 HydrophobicContact CD1-CE2 3.59Å; I188-Y256 HydrophobicContact CG1-CD2 4.47Å; I188-Y256 HydrophobicContact CG1-CE2 4.4Å; I188-Y256 HydrophobicContact CG2-CE2 4.33Å; I254-Y256 HydrophobicContact CB-CD2 4.39Å; I254-Y256 HydrophobicContact CB-CE2 3.78Å; I254-Y256 HydrophobicContact CG2-CD2 3.84Å; I254-Y256 HydrophobicContact CG2-CE1 4.09Å; I254-Y256 HydrophobicContact CG2-CE2 3.3Å; I254-Y256 HydrophobicContact CG2-CG 4.43Å; I254-Y256 VanDerWaalsContact CG2-CZ 3.46Å; I254-Y256 WeakPolarHBondContact O-CD2 3.48Å; I254-Y256 PolarHBondContact O-N 3.42Å
257L41.5Very low56.9Low210 Ų21076.4 Ų76.4100%1.09943%0.43SS*.  trans-79.70169.7-62.2171.9000111.2K182K182-L257 PolarHBondContact NZ-O 2.59Å

Retrieved 257 of 257 residues in 186.7 ms (Link to these results)

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