A0A087WYS6_HUMAN Loading...

Proteasome (Prosome, macropain) subunit, alpha type, 8, isoform CRA_b

AlphaFold DB , UniProt , Accession A0A087WYS6, Species HUMAN (Homo sapiens, Human), Gene PSMA8, Length 224 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
1M33.6Very low70.8Confident227 Ų22753 Ų53100%1.11829%0.287SS*.  0109.50-76.6173.4168.800107.7V3M1-V3 HydrophobicContact CB-CG2 3.78Å; M1-V3 PolarHBondContact O-N 3.36Å
2D40.7Very low72.8Confident103 Ų10354.3 Ų54.355%0.55129%0.285SS*.  trans-73.668.5176.1-77-50.8000109.9C4 K24D2-C4 PolarHBondContact O-N 3.08Å; D2-K24 IonicContact OD1-NZ 3.59Å; D2-K24 PolarHBondContact OD1-NZ 3.32Å
3V43.7Very low74.2Confident102 Ų10250.3 Ų50.362%0.61826%0.264SS*.  trans-80.897.6176-164.90000107.6M1 T5M1-V3 HydrophobicContact CB-CG2 3.78Å; M1-V3 PolarHBondContact O-N 3.36Å; V3-T5 VanDerWaalsContact C-N 3.32Å; V3-T5 PolarHBondContact O-N 3.46Å
4C54.1Low75.2Confident47 Ų4752.5 Ų52.532%0.31828%0.281SS..SBendtrans46.939159.6-120.70000117.2D2 G51D2-C4 PolarHBondContact O-N 3.08Å; C4-G51 PolarHBondContact SG-N 3.12Å; C4-G51 VanDerWaalsContact SG-N 3.43Å
5T60.9Low76.2Confident54 Ų5454.4 Ų54.433%0.33129%0.291SS..  trans-80.5-14.7-174.544.40000115.4V3V3-T5 VanDerWaalsContact C-N 3.32Å; V3-T5 PolarHBondContact O-N 3.46Å
6F77.5Confident77.3Confident42 Ų4251 Ų5118%0.18427%0.273CS..SBendtrans-114.2143.9-167.2-58.8-68.5000112.4K8 E22 K24F6-K8 PolarHBondContact O-NZ 3.4Å; F6-E22 WeakPolarHBondContact CA-OE2 3.38Å; F6-E22 HydrophobicContact CB-CB 4.1Å; F6-E22 HydrophobicContact CB-CG 4.26Å; F6-E22 WeakPolarHBondContact CB-O 3.42Å; F6-E22 HydrophobicContact CD1-CG 3.79Å; F6-E22 HydrophobicContact CG-CG 4.47Å; F6-K24 HydrophobicContact CE1-CB 3.97Å; F6-K24 HydrophobicContact CE1-CG 4.17Å; F6-K24 HydrophobicContact CE2-CB 3.77Å; F6-K24 HydrophobicContact CE2-CD 3.89Å; F6-K24 HydrophobicContact CE2-CG 4.08Å; F6-K24 HydrophobicContact CZ-CB 3.42Å; F6-K24 VanDerWaalsContact CZ-CB 3.42Å; F6-K24 HydrophobicContact CZ-CD 3.61Å; F6-K24 HydrophobicContact CZ-CG 3.45Å; F6-K24 VanDerWaalsContact CZ-CG 3.45Å
7E88Confident78.3Confident1 Ų148.1 Ų48.11%0.00526%0.257CS..  trans-80.4150.1-179.6-60.8-48.3118.500113.4E22 R139 S140 A141 V144 L171 V174E7-E22 HydrophobicContact CB-CB 4.45Å; E7-E22 PolarHBondContact N-OE2 3.21Å; E7-E22 WeakPolarHBondContact O-CB 3.3Å; E7-E22 PolarHBondContact O-N 3.26Å; E7-R139 WeakPolarHBondContact OE1-CA 3.1Å; E7-R139 PolarHBondContact OE1-N 3.25Å; E7-S140 PolarHBondContact OE1-N 3.17Å; E7-A141 WeakPolarHBondContact OE2-CA 3.45Å; E7-A141 PolarHBondContact OE2-N 3.23Å; E7-A141 VanDerWaalsContact OE2-N 3.11Å; E7-V144 HydrophobicContact CG-CG2 4.41Å; E7-L171 HydrophobicContact CB-CD2 4.13Å; E7-V174 HydrophobicContact CG-CB 4.15Å; E7-V174 HydrophobicContact CG-CG1 3.86Å; E7-V174 HydrophobicContact CG-CG2 4.3Å
8K93Very high79.3Confident7 Ų745.4 Ų45.43%0.0324%0.243CC..EExtended strand (participates in β ladder)trans-133.6137.2165.9-64.989.7-165.5149.50108.3F6 G20 V21 F49 A50 L108 A136 I137F6-K8 PolarHBondContact O-NZ 3.4Å; K8-G20 CarbonylContact C-O 3.56Å; K8-G20 VanDerWaalsContact CA-O 3.28Å; K8-G20 WeakPolarHBondContact CA-O 3.4Å; K8-V21 HydrophobicContact CB-CG2 4.27Å; K8-V21 HydrophobicContact CD-CG1 4.4Å; K8-V21 HydrophobicContact CG-CB 4.11Å; K8-V21 HydrophobicContact CG-CG1 3.8Å; K8-V21 HydrophobicContact CG-CG2 3.59Å; K8-F49 WeakPolarHBondContact CE-O 3.35Å; K8-A50 HydrophobicContact CD-CB 3.94Å; K8-L108 HydrophobicContact CB-CD1 4.3Å; K8-A136 CarbonylContact O-C 3.53Å; K8-A136 WeakPolarHBondContact O-CA 3.26Å; K8-I137 HydrophobicContact CB-CD1 4.45Å; K8-I137 HydrophobicContact CB-CG1 3.8Å; K8-I137 HydrophobicContact CD-CG1 4.23Å; K8-I137 PolarHBondContact N-O 2.77Å; K8-I137 PolarHBondContact O-N 3.04Å
9V95.6Very high80.2Confident0 Ų043.1 Ų43.10%023%0.231CC..EExtended strand (participates in β ladder)trans-126.7133.7-177.7178.30000108.6I11 L19 G20 N135 A136 V144 L148 A170 L171V9-I11 HydrophobicContact CG1-CD1 4.24Å; V9-I11 HydrophobicContact CG1-CG1 3.9Å; V9-L19 WeakPolarHBondContact O-CA 3.4Å; V9-G20 PolarHBondContact N-O 3.08Å; V9-G20 PolarHBondContact O-N 3.38Å; V9-N135 WeakPolarHBondContact CA-O 3.2Å; V9-A136 HydrophobicContact CG2-CB 4.15Å; V9-V144 HydrophobicContact CG2-CG1 3.65Å; V9-L148 HydrophobicContact CG1-CD1 4.12Å; V9-A170 HydrophobicContact CG1-CB 4.31Å; V9-L171 HydrophobicContact CB-CD2 4.35Å; V9-L171 HydrophobicContact CB-CG 4.48Å; V9-L171 HydrophobicContact CG2-CD2 3.67Å; V9-L171 HydrophobicContact CG2-CG 4.08Å
10G95.9Very high80.9Confident0 Ų041 Ų410%022%0.219CC..EExtended strand (participates in β ladder)trans-118.1129.817100000109.7V18 L120 A134 N135G10-V18 WeakPolarHBondContact CA-O 3.34Å; G10-L120 WeakPolarHBondContact O-CD2 3.33Å; G10-A134 CarbonylContact O-C 3.58Å; G10-A134 VanDerWaalsContact O-CA 3.26Å; G10-A134 WeakPolarHBondContact O-CA 3.16Å; G10-N135 PolarHBondContact N-O 2.82Å; G10-N135 PolarHBondContact O-N 2.89Å
11I95.4Very high81.4Confident0 Ų039 Ų390%021%0.209CC..EExtended strand (participates in β ladder)trans-128.6130177.1-57.5-168.9000109.2V9 V17 V18 A134 L148 Y152 L166 A167V9-I11 HydrophobicContact CG1-CD1 4.24Å; V9-I11 HydrophobicContact CG1-CG1 3.9Å; I11-V17 WeakPolarHBondContact O-CG2 3.49Å; I11-V18 PolarHBondContact N-O 2.9Å; I11-V18 PolarHBondContact O-N 2.73Å; I11-A134 HydrophobicContact CG1-CB 4.33Å; I11-L148 HydrophobicContact CD1-CD2 3.74Å; I11-L148 HydrophobicContact CG1-CD2 4.29Å; I11-Y152 HydrophobicContact CG2-CD2 4.31Å; I11-Y152 HydrophobicContact CG2-CE2 4Å; I11-L166 HydrophobicContact CD1-CB 3.97Å; I11-L166 HydrophobicContact CD1-CD2 3.84Å; I11-L166 HydrophobicContact CD1-CG 3.62Å; I11-L166 HydrophobicContact CG2-CD2 4.24Å; I11-A167 VanDerWaalsContact CD1-CA 3.46Å; I11-A167 HydrophobicContact CD1-CB 3.79Å; I11-A167 HydrophobicContact CG1-CB 4.28Å
12R94.8Very high84Confident69 Ų6929.5 Ų29.526%0.2616%0.161SC..EExtended strand (participates in β ladder)trans-90.9115.7171.7-172.5171.960173.55.6110.7S118 K133 Y152R12-S118 WeakPolarHBondContact CD-O 3.35Å; R12-S118 VanDerWaalsContact CD-OG 3.24Å; R12-S118 WeakPolarHBondContact CD-OG 3.21Å; R12-S118 WeakPolarHBondContact CG-OG 3.29Å; R12-S118 PolarHBondContact NH1-O 3.2Å; R12-K133 WeakPolarHBondContact CB-O 3.41Å; R12-K133 PolarHBondContact N-O 2.84Å; R12-Y152 PolarHBondContact O-OH 3.14Å
13G91.1Very high86Confident2 Ų226.5 Ų26.52%0.02114%0.144CC..  trans-93175.6163.600000111.7I16 S118G13-I16 CarbonylContact C-O 3.56Å; G13-I16 WeakPolarHBondContact CA-O 3.41Å; G13-I16 PolarHBondContact N-O 3.49Å; G13-S118 PolarHBondContact O-OG 2.81Å
14T88.2Confident87.5Confident81 Ų8126.6 Ų26.650%0.49714%0.136SC..SBendtrans-64.6-47.7178.4-53.50000112I157T14-I157 PolarHBondContact N-O 3.41Å; T14-I157 PolarHBondContact OG1-O 3.13Å
15N90.8Very high88.4Confident81 Ų8128.6 Ų28.643%0.43315%0.15SC..SBendtrans-118.25.3-178.3-64.9-46.4000113.6F112 R189N15-F112 WeakPolarHBondContact O-CZ 3.37Å; N15-R189 PolarHBondContact O-N 3.11Å; N15-R189 VanDerWaalsContact O-N 3.17Å
16I93.7Very high89Confident0 Ų027.2 Ų27.20%014%0.142CC..EExtended strand (participates in β ladder)trans-137149.3-176.2-169166.7000110.3G13 V18 D160 A163 I164 I186 I187 R188G13-I16 CarbonylContact C-O 3.56Å; G13-I16 WeakPolarHBondContact CA-O 3.41Å; G13-I16 PolarHBondContact N-O 3.49Å; I16-V18 HydrophobicContact CD1-CG2 4.02Å; I16-V18 HydrophobicContact CG1-CG2 3.99Å; I16-D160 HydrophobicContact CD1-CB 4.03Å; I16-A163 HydrophobicContact CG2-CB 3.79Å; I16-I164 HydrophobicContact CD1-CD1 3.98Å; I16-I164 HydrophobicContact CD1-CG1 4.06Å; I16-I186 HydrophobicContact CD1-CB 3.96Å; I16-I186 HydrophobicContact CD1-CD1 3.96Å; I16-I186 HydrophobicContact CD1-CG2 4.01Å; I16-I186 HydrophobicContact CG1-CB 4.17Å; I16-I187 WeakPolarHBondContact CA-O 3.41Å; I16-R188 HydrophobicContact CD1-CG 4.38Å; I16-R188 HydrophobicContact CG1-CG 4.26Å
17V94.8Very high89.1Confident1 Ų128.2 Ų28.21%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-126131.6161.867.50000108.9I11 V110 F112 I186 I187I11-V17 WeakPolarHBondContact O-CG2 3.49Å; V17-V110 HydrophobicContact CB-CB 4.44Å; V17-V110 HydrophobicContact CG1-CB 3.95Å; V17-V110 HydrophobicContact CG1-CG2 4.09Å; V17-V110 HydrophobicContact CG2-CB 3.61Å; V17-V110 HydrophobicContact CG2-CG1 3.65Å; V17-V110 HydrophobicContact CG2-CG2 4.35Å; V17-F112 HydrophobicContact CB-CE2 4.42Å; V17-F112 HydrophobicContact CG1-CD2 4.42Å; V17-F112 HydrophobicContact CG1-CE2 3.89Å; V17-I186 WeakPolarHBondContact O-CA 3.39Å; V17-I187 HydrophobicContact CG1-CB 3.83Å; V17-I187 PolarHBondContact N-O 3.43Å; V17-I187 PolarHBondContact O-N 3.32Å
18V95.4Very high88.7Confident0 Ų038.7 Ų38.70%020%0.203CC..EExtended strand (participates in β ladder)trans-114.4129.2-173.1-175.30000109.1G10 I11 I16 A163 I164 A167 L184 I186G10-V18 WeakPolarHBondContact CA-O 3.34Å; I11-V18 PolarHBondContact N-O 2.9Å; I11-V18 PolarHBondContact O-N 2.73Å; I16-V18 HydrophobicContact CD1-CG2 4.02Å; I16-V18 HydrophobicContact CG1-CG2 3.99Å; V18-A163 HydrophobicContact CG2-CB 4.35Å; V18-I164 HydrophobicContact CG2-CG1 3.95Å; V18-A167 HydrophobicContact CB-CB 4.33Å; V18-A167 HydrophobicContact CG1-CB 3.63Å; V18-L184 HydrophobicContact CG1-CD1 4.15Å; V18-L184 HydrophobicContact CG1-CD2 3.96Å; V18-L184 HydrophobicContact CG1-CG 4.04Å; V18-I186 HydrophobicContact CG1-CG2 4.25Å; V18-I186 HydrophobicContact CG2-CG2 4.06Å
19L95.8Very high88.5Confident2 Ų246.8 Ų46.81%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-112.6118.3166.9-79.1175.3000109.2V9 I38 C46 A48 L108 V110 A185V9-L19 WeakPolarHBondContact O-CA 3.4Å; L19-I38 HydrophobicContact CB-CD1 4.32Å; L19-I38 HydrophobicContact CD1-CG2 4.46Å; L19-C46 HydrophobicContact CD1-CB 4.39Å; L19-A48 HydrophobicContact CD1-CB 4Å; L19-A48 HydrophobicContact CD2-CB 4.06Å; L19-L108 HydrophobicContact CD2-CB 4.06Å; L19-L108 HydrophobicContact CD2-CD1 4.31Å; L19-V110 HydrophobicContact CD1-CB 4.41Å; L19-V110 HydrophobicContact CD1-CG1 4.24Å; L19-V110 HydrophobicContact CD1-CG2 3.34Å; L19-V110 HydrophobicContact CD2-CG1 3.83Å; L19-V110 HydrophobicContact CD2-CG2 4.43Å; L19-V110 HydrophobicContact CG-CB 4.45Å; L19-V110 HydrophobicContact CG-CG1 3.93Å; L19-V110 HydrophobicContact CG-CG2 3.68Å; L19-A185 PolarHBondContact N-O 3.28Å; L19-A185 PolarHBondContact O-N 3.06Å
20G94.1Very high87.7Confident0 Ų051.3 Ų51.30%027%0.267CS..EExtended strand (participates in β ladder)trans-106.8136.2170.800000110.3K8 V9K8-G20 CarbonylContact C-O 3.56Å; K8-G20 VanDerWaalsContact CA-O 3.28Å; K8-G20 WeakPolarHBondContact CA-O 3.4Å; V9-G20 PolarHBondContact N-O 3.08Å; V9-G20 PolarHBondContact O-N 3.38Å
21V92Very high87Confident0 Ų056 Ų560%029%0.292CS..EExtended strand (participates in β ladder)trans-130.2131.9175.7179.40000109.8K8 K23 K37 I38 A48 E183K8-V21 HydrophobicContact CB-CG2 4.27Å; K8-V21 HydrophobicContact CD-CG1 4.4Å; K8-V21 HydrophobicContact CG-CB 4.11Å; K8-V21 HydrophobicContact CG-CG1 3.8Å; K8-V21 HydrophobicContact CG-CG2 3.59Å; V21-K23 PolarHBondContact O-N 3.3Å; V21-K37 HydrophobicContact CG1-CB 3.87Å; V21-K37 HydrophobicContact CG1-CG 4.31Å; V21-I38 HydrophobicContact CB-CD1 4.4Å; V21-I38 HydrophobicContact CB-CG1 4.34Å; V21-I38 HydrophobicContact CG2-CD1 3.74Å; V21-I38 HydrophobicContact CG2-CG1 3.45Å; V21-I38 VanDerWaalsContact CG2-CG1 3.45Å; V21-A48 HydrophobicContact CG2-CB 4.18Å; V21-E183 PolarHBondContact N-O 3.42Å; V21-E183 PolarHBondContact O-N 3.35Å
22E88.8Confident86Confident27 Ų2761.5 Ų61.513%0.12632%0.318CS..EExtended strand (participates in β ladder)trans-71.6118.5165.4-177.2-174.3-178.900109.6F6 E7 V175 N181F6-E22 WeakPolarHBondContact CA-OE2 3.38Å; F6-E22 HydrophobicContact CB-CB 4.1Å; F6-E22 HydrophobicContact CB-CG 4.26Å; F6-E22 WeakPolarHBondContact CB-O 3.42Å; F6-E22 HydrophobicContact CD1-CG 3.79Å; F6-E22 HydrophobicContact CG-CG 4.47Å; E7-E22 HydrophobicContact CB-CB 4.45Å; E7-E22 PolarHBondContact N-OE2 3.21Å; E7-E22 WeakPolarHBondContact O-CB 3.3Å; E7-E22 PolarHBondContact O-N 3.26Å; E22-V175 HydrophobicContact CB-CG2 4.13Å; E22-V175 HydrophobicContact CG-CG2 3.65Å; E22-N181 CarbonylContact C-O 3.33Å; E22-N181 WeakPolarHBondContact CA-O 3.39Å
23K82.4Confident85.1Confident40 Ų4067.4 Ų67.417%0.17434%0.34CS..PPolyproline II helixtrans-96132.8177.1-178.4178.9173.8-169.80109.3V21 S25 E32 N181V21-K23 PolarHBondContact O-N 3.3Å; K23-S25 PolarHBondContact O-N 3.48Å; K23-E32 IonicContact NZ-OE2 3.25Å; K23-E32 PolarHBondContact NZ-OE2 2.77Å; K23-N181 PolarHBondContact N-O 3.35Å; K23-N181 VanDerWaalsContact O-CB 3.29Å; K23-N181 WeakPolarHBondContact O-CB 3.33Å
24K75.8Confident84.4Confident104 Ų10471.8 Ų71.845%0.45237%0.367SS..PPolyproline II helixtrans-67.7131.8168.1-165.7175.4-168.2174.80108.9D2 F6 V26D2-K24 IonicContact OD1-NZ 3.59Å; D2-K24 PolarHBondContact OD1-NZ 3.32Å; F6-K24 HydrophobicContact CE1-CB 3.97Å; F6-K24 HydrophobicContact CE1-CG 4.17Å; F6-K24 HydrophobicContact CE2-CB 3.77Å; F6-K24 HydrophobicContact CE2-CD 3.89Å; F6-K24 HydrophobicContact CE2-CG 4.08Å; F6-K24 HydrophobicContact CZ-CB 3.42Å; F6-K24 VanDerWaalsContact CZ-CB 3.42Å; F6-K24 HydrophobicContact CZ-CD 3.61Å; F6-K24 HydrophobicContact CZ-CG 3.45Å; F6-K24 VanDerWaalsContact CZ-CG 3.45Å; K24-V26 PolarHBondContact O-N 3.36Å
25S72.9Confident83.9Confident90 Ų9069.8 Ų69.863%0.62935%0.354SS*.  trans-56114.3167.1-1750000108.6K23K23-S25 PolarHBondContact O-N 3.48Å
26V72.5Confident83.5Confident25 Ų2572.1 Ų72.115%0.15236%0.357CS..  trans-78150.4-179.9-66.20000109.1K24 Q30 E32 V35K24-V26 PolarHBondContact O-N 3.36Å; V26-Q30 HydrophobicContact CB-CB 4.19Å; V26-Q30 HydrophobicContact CB-CG 4.31Å; V26-Q30 HydrophobicContact CG1-CG 4.49Å; V26-E32 HydrophobicContact CG2-CG 3.61Å; V26-V35 HydrophobicContact CG1-CB 4.33Å; V26-V35 HydrophobicContact CG1-CG1 4.41Å; V26-V35 HydrophobicContact CG1-CG2 3.9Å
27A79.6Confident83.2Confident63 Ų6374.2 Ų74.252%0.52137%0.366SS..  trans-59.6147.1171.800000109.6L29 Q30A27-L29 PolarHBondContact O-N 3.04Å; A27-Q30 WeakPolarHBondContact O-CB 3.38Å; A27-Q30 PolarHBondContact O-N 3.42Å
28K80.6Confident83.1Confident220 Ų22074.5 Ų74.596%0.95737%0.367SS*.THydrogen-bonded Turntrans-55.5-21.1-178-66-178.2179179.30114.4
29L87.4Confident83Confident178 Ų17875.7 Ų75.793%0.93238%0.375SS*.THydrogen-bonded Turntrans-91.5-6.7179.2-60.3176.8000113.6A27A27-L29 PolarHBondContact O-N 3.04Å
30Q79.6Confident82.9Confident95 Ų9577.3 Ų77.344%0.44439%0.39SS..SBendtrans-95.9129.6-177-178.9173.11300110.5V26 A27 E32 V35V26-Q30 HydrophobicContact CB-CB 4.19Å; V26-Q30 HydrophobicContact CB-CG 4.31Å; V26-Q30 HydrophobicContact CG1-CG 4.49Å; A27-Q30 WeakPolarHBondContact O-CB 3.38Å; A27-Q30 PolarHBondContact O-N 3.42Å; Q30-E32 PolarHBondContact O-N 2.98Å; Q30-V35 HydrophobicContact CG-CG2 4.4Å
31D81.3Confident82.9Confident97 Ų9777.7 Ų77.752%0.51939%0.392SS..  trans-68.2117.2176-177.7-1.5000111R33 T34D31-R33 PolarHBondContact O-N 3.17Å; D31-R33 WeakPolarHBondContact OD1-CB 3.44Å; D31-R33 PolarHBondContact OD1-N 3.36Å; D31-T34 HydrophobicContact CB-CG2 4.26Å; D31-T34 PolarHBondContact O-N 3.38Å; D31-T34 PolarHBondContact O-OG1 3.24Å
32E75.4Confident82.9Confident116 Ų11678.5 Ų78.554%0.54240%0.396SS..G310 helixtrans-58.4-28.9178.5-71.2-168.8-157.800113.8K23 V26 Q30 T34 V35K23-E32 IonicContact NZ-OE2 3.25Å; K23-E32 PolarHBondContact NZ-OE2 2.77Å; V26-E32 HydrophobicContact CG2-CG 3.61Å; Q30-E32 PolarHBondContact O-N 2.98Å; E32-T34 PolarHBondContact O-N 2.99Å; E32-T34 VanDerWaalsContact O-N 3.17Å; E32-V35 PolarHBondContact O-N 3.23Å
33R75.4Confident83Confident194 Ų19482.8 Ų82.873%0.73242%0.419SS*.G310 helixtrans-62.5-26.2-178-163.4176.590.7147.23.4112.3D31D31-R33 PolarHBondContact O-N 3.17Å; D31-R33 WeakPolarHBondContact OD1-CB 3.44Å; D31-R33 PolarHBondContact OD1-N 3.36Å
34T76.5Confident83.4Confident94 Ų9482.5 Ų82.558%0.57742%0.419SS*.G310 helixtrans-82.7-16.3-172.465.10000114.2D31 E32D31-T34 HydrophobicContact CB-CG2 4.26Å; D31-T34 PolarHBondContact O-N 3.38Å; D31-T34 PolarHBondContact O-OG1 3.24Å; E32-T34 PolarHBondContact O-N 2.99Å; E32-T34 VanDerWaalsContact O-N 3.17Å
35V76.6Confident84.3Confident39 Ų3977.6 Ų77.624%0.23640%0.397CS..G310 helixtrans-102.517.8-167.3-162.20000112.8V26 Q30 E32 K37V26-V35 HydrophobicContact CG1-CB 4.33Å; V26-V35 HydrophobicContact CG1-CG1 4.41Å; V26-V35 HydrophobicContact CG1-CG2 3.9Å; Q30-V35 HydrophobicContact CG-CG2 4.4Å; E32-V35 PolarHBondContact O-N 3.23Å; V35-K37 PolarHBondContact O-N 2.94Å
36R82.1Confident85.4Confident130 Ų13073.3 Ų73.349%0.49137%0.368SS..  trans-66.4134.7-178.7-64.5-169.7-179.6-178.7-1.2112.1
37K88Confident86.5Confident43 Ų4372.1 Ų72.119%0.18736%0.36CS..  trans-105.7-10.8175.5-65.4-65.2-175.3169.10113.2V21 V35 A48 F49 T53V21-K37 HydrophobicContact CG1-CB 3.87Å; V21-K37 HydrophobicContact CG1-CG 4.31Å; V35-K37 PolarHBondContact O-N 2.94Å; K37-A48 WeakPolarHBondContact O-CA 3.36Å; K37-F49 HydrophobicContact CD-CE1 4.34Å; K37-F49 HydrophobicContact CD-CE2 3.74Å; K37-F49 HydrophobicContact CD-CZ 3.63Å; K37-F49 WeakPolarHBondContact O-CD1 3.23Å; K37-F49 WeakPolarHBondContact O-CE1 3.19Å; K37-T53 PolarHBondContact NZ-OG1 3.49Å
38I92.6Very high87.2Confident7 Ų769.1 Ų69.14%0.03634%0.336CS..EExtended strand (participates in β ladder)trans-97.4128.8173.4-55.3-178.7000107.9L19 V21 C46 A48 E183 A185 M195L19-I38 HydrophobicContact CB-CD1 4.32Å; L19-I38 HydrophobicContact CD1-CG2 4.46Å; V21-I38 HydrophobicContact CB-CD1 4.4Å; V21-I38 HydrophobicContact CB-CG1 4.34Å; V21-I38 HydrophobicContact CG2-CD1 3.74Å; V21-I38 HydrophobicContact CG2-CG1 3.45Å; V21-I38 VanDerWaalsContact CG2-CG1 3.45Å; I38-C46 WeakPolarHBondContact CG2-SG 3.4Å; I38-A48 HydrophobicContact CG1-CB 4.48Å; I38-E183 HydrophobicContact CD1-CG 4.25Å; I38-A185 HydrophobicContact CD1-CB 3.6Å; I38-A185 HydrophobicContact CG2-CB 3.81Å; I38-M195 HydrophobicContact CB-CE 4.22Å; I38-M195 HydrophobicContact CB-SD 4.45Å; I38-M195 HydrophobicContact CD1-CE 4.17Å; I38-M195 HydrophobicContact CG2-SD 4.13Å
39C93.3Very high87.9Confident25 Ų2558.9 Ų58.917%0.16929%0.291CS..EExtended strand (participates in β ladder)trans-137.1128.2-176.1-70.40000110.6C46 M47 I60C39-C46 PolarHBondContact O-SG 3.23Å; C39-C46 VanDerWaalsContact O-SG 3.41Å; C39-M47 PolarHBondContact N-O 3.33Å; C39-M47 PolarHBondContact O-N 2.97Å; C39-I60 HydrophobicContact CB-CD1 3.91Å; C39-I60 HydrophobicContact CB-CG1 4.43Å; C39-I60 HydrophobicContact CB-CG2 4.35Å
40A93.9Very high88.1Confident37 Ų3750.6 Ų50.631%0.30625%0.248SC..EExtended strand (participates in β ladder)trans-69.6131.2168.500000110.3R64 L193A40-R64 PolarHBondContact O-NE 2.97Å; A40-R64 PolarHBondContact O-NH2 3.41Å; A40-L193 HydrophobicContact CB-CD2 4.03Å
41L94.4Very high88.6Confident8 Ų846.7 Ų46.74%0.04223%0.234CC..SBendtrans-94.4-40.8170.7-61.6-175.3000110.5V45 M47 I60 A63 R64 I83 I87L41-V45 HydrophobicContact CB-CB 4.36Å; L41-V45 HydrophobicContact CB-CG1 4.21Å; L41-V45 HydrophobicContact CD1-CG1 4.09Å; L41-V45 PolarHBondContact N-O 2.97Å; L41-M47 HydrophobicContact CD1-CB 3.97Å; L41-M47 HydrophobicContact CD1-SD 4.39Å; L41-M47 HydrophobicContact CD2-CB 4.24Å; L41-M47 HydrophobicContact CD2-SD 4.26Å; L41-M47 HydrophobicContact CG-CB 3.97Å; L41-I60 HydrophobicContact CD2-CB 4.42Å; L41-I60 HydrophobicContact CD2-CG1 4.43Å; L41-I60 HydrophobicContact CD2-CG2 4.02Å; L41-A63 HydrophobicContact CD1-CB 4.08Å; L41-A63 HydrophobicContact CD2-CB 3.92Å; L41-R64 HydrophobicContact CD2-CG 4.47Å; L41-R64 WeakPolarHBondContact O-CG 3.34Å; L41-I83 HydrophobicContact CD1-CG1 4.2Å; L41-I87 HydrophobicContact CD1-CD1 4.1Å
42D92.7Very high89Confident16 Ų1646 Ų469%0.08623%0.23CC..SBendtrans-146.2-178.3173.3-153.6-3.4000108.5H44 V45 C67D42-H44 VanDerWaalsContact C-N 3.29Å; D42-H44 PolarHBondContact O-N 3.42Å; D42-H44 IonicContact OD2-CE1 3.81Å; D42-H44 PolarHBondContact OD2-CE1 2.91Å; D42-H44 VanDerWaalsContact OD2-CE1 3.29Å; D42-H44 IonicContact OD2-ND1 2.73Å; D42-V45 HydrophobicContact CB-CB 4.39Å; D42-V45 PolarHBondContact N-O 3.43Å; D42-V45 PolarHBondContact O-N 3.33Å; D42-C67 HydrophobicContact CB-CB 4.34Å
43D90.1Very high89.7Confident117 Ų11743.9 Ų43.963%0.62623%0.225SC*.SBendtrans-61-37-177.5-67.8-35.3000113.2
44H91.7Very high90.4Very high34 Ų3438.2 Ų38.216%0.15722%0.219CC..SBendtrans-102.5-3.7-177.960.5-59.6000114D42 V78 G111 F112D42-H44 VanDerWaalsContact C-N 3.29Å; D42-H44 PolarHBondContact O-N 3.42Å; D42-H44 IonicContact OD2-CE1 3.81Å; D42-H44 PolarHBondContact OD2-CE1 2.91Å; D42-H44 VanDerWaalsContact OD2-CE1 3.29Å; D42-H44 IonicContact OD2-ND1 2.73Å; H44-V78 PolarHBondContact NE2-O 2.75Å; H44-G111 WeakPolarHBondContact O-CA 3.24Å; H44-F112 PolarHBondContact CD2-O 3.12Å; H44-F112 PolarHBondContact O-N 3.49Å
45V94.6Very high91.2Very high1 Ų134.1 Ų34.11%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-124.7127.6-176-172.60000111.7L41 D42 V78 V80 I83 I109 V110L41-V45 HydrophobicContact CB-CB 4.36Å; L41-V45 HydrophobicContact CB-CG1 4.21Å; L41-V45 HydrophobicContact CD1-CG1 4.09Å; L41-V45 PolarHBondContact N-O 2.97Å; D42-V45 HydrophobicContact CB-CB 4.39Å; D42-V45 PolarHBondContact N-O 3.43Å; D42-V45 PolarHBondContact O-N 3.33Å; V45-V78 HydrophobicContact CG2-CG2 4.42Å; V45-V80 HydrophobicContact CG2-CG2 4.11Å; V45-I83 HydrophobicContact CG1-CG2 4.11Å; V45-I109 HydrophobicContact CG1-CG2 3.91Å; V45-V110 WeakPolarHBondContact CA-O 3.36Å
46C95Very high92Very high1 Ų132.3 Ų32.31%0.00718%0.183CC..EExtended strand (participates in β ladder)trans-126.9151.9175.6-177.70000111.9L19 I38 C39 I109 V110 I187 L193L19-C46 HydrophobicContact CD1-CB 4.39Å; I38-C46 WeakPolarHBondContact CG2-SG 3.4Å; C39-C46 PolarHBondContact O-SG 3.23Å; C39-C46 VanDerWaalsContact O-SG 3.41Å; C46-I109 WeakPolarHBondContact O-CA 3.49Å; C46-V110 HydrophobicContact CB-CG2 4.01Å; C46-V110 PolarHBondContact N-O 2.91Å; C46-V110 PolarHBondContact O-N 3Å; C46-I187 HydrophobicContact CB-CD1 3.58Å; C46-L193 HydrophobicContact CB-CD1 4.08Å; C46-L193 HydrophobicContact CB-CD2 4.49Å
47M95.5Very high92.6Very high0 Ų034.1 Ų34.10%019%0.19CC..EExtended strand (participates in β ladder)trans-129131.1-179.6-178.6-172.7177.400110.1C39 L41 F49 V59 I60 I87 I105 A107 L108 I109C39-M47 PolarHBondContact N-O 3.33Å; C39-M47 PolarHBondContact O-N 2.97Å; L41-M47 HydrophobicContact CD1-CB 3.97Å; L41-M47 HydrophobicContact CD1-SD 4.39Å; L41-M47 HydrophobicContact CD2-CB 4.24Å; L41-M47 HydrophobicContact CD2-SD 4.26Å; L41-M47 HydrophobicContact CG-CB 3.97Å; M47-F49 HydrophobicContact CE-CB 4.41Å; M47-V59 HydrophobicContact CE-CG1 4.06Å; M47-I60 HydrophobicContact CE-CG1 4.49Å; M47-I60 HydrophobicContact SD-CG1 3.76Å; M47-I87 HydrophobicContact SD-CD1 4.47Å; M47-I105 HydrophobicContact CE-CD1 4.41Å; M47-A107 HydrophobicContact CE-CB 3.24Å; M47-A107 HydrophobicContact CG-CB 4.1Å; M47-A107 HydrophobicContact SD-CB 4.44Å; M47-L108 CarbonylContact C-O 3.52Å; M47-L108 WeakPolarHBondContact CA-O 3.33Å; M47-I109 HydrophobicContact CG-CG1 4.19Å
48A95.3Very high92.9Very high0 Ų035.1 Ų35.10%020%0.199CC..EExtended strand (participates in β ladder)trans-112145163.800000109.3L19 V21 K37 I38 A107 L108L19-A48 HydrophobicContact CD1-CB 4Å; L19-A48 HydrophobicContact CD2-CB 4.06Å; V21-A48 HydrophobicContact CG2-CB 4.18Å; K37-A48 WeakPolarHBondContact O-CA 3.36Å; I38-A48 HydrophobicContact CG1-CB 4.48Å; A48-A107 CarbonylContact O-C 3.51Å; A48-A107 VanDerWaalsContact O-CA 3.26Å; A48-A107 WeakPolarHBondContact O-CA 3.45Å; A48-L108 PolarHBondContact N-O 3.47Å; A48-L108 PolarHBondContact O-N 3.49Å
49F93.9Very high93Very high4 Ų434.8 Ų34.82%0.01820%0.198CC..EExtended strand (participates in β ladder)trans-134151.3-177.666.1-89.9000113.2K8 K37 M47 T53 A56 I60 S106 A107K8-F49 WeakPolarHBondContact CE-O 3.35Å; K37-F49 HydrophobicContact CD-CE1 4.34Å; K37-F49 HydrophobicContact CD-CE2 3.74Å; K37-F49 HydrophobicContact CD-CZ 3.63Å; K37-F49 WeakPolarHBondContact O-CD1 3.23Å; K37-F49 WeakPolarHBondContact O-CE1 3.19Å; M47-F49 HydrophobicContact CE-CB 4.41Å; F49-T53 HydrophobicContact CE2-CG2 4.5Å; F49-T53 HydrophobicContact CZ-CG2 4.23Å; F49-A56 HydrophobicContact CB-CB 4.37Å; F49-A56 HydrophobicContact CD1-CB 3.76Å; F49-A56 HydrophobicContact CD2-CB 3.28Å; F49-A56 HydrophobicContact CE1-CB 3.76Å; F49-A56 HydrophobicContact CE2-CB 3.29Å; F49-A56 HydrophobicContact CG-CB 3.52Å; F49-A56 HydrophobicContact CZ-CB 3.53Å; F49-I60 HydrophobicContact CD1-CD1 4.07Å; F49-I60 HydrophobicContact CE1-CD1 3.91Å; F49-S106 WeakPolarHBondContact CA-O 3.49Å; F49-A107 HydrophobicContact CB-CB 4.37Å
50A92Very high93.2Very high4 Ų434 Ų343%0.03319%0.191CC..EExtended strand (participates in β ladder)trans-118.2138.6168.800000109.1K8 I105 S106 I137K8-A50 HydrophobicContact CD-CB 3.94Å; A50-I105 VanDerWaalsContact O-CA 3.28Å; A50-I105 WeakPolarHBondContact O-CA 3.45Å; A50-S106 PolarHBondContact N-O 2.75Å; A50-S106 PolarHBondContact O-N 3.42Å; A50-I137 HydrophobicContact CB-CB 4.46Å; A50-I137 HydrophobicContact CB-CD1 3.72Å; A50-I137 HydrophobicContact CB-CG1 3.99Å
51G89.8Confident93.3Very high14 Ų1436.1 Ų36.114%0.14420%0.198CC..EExtended strand (participates in β ladder)trans118.6-151.7-17900000113.4C4 T53 G104C4-G51 PolarHBondContact SG-N 3.12Å; C4-G51 VanDerWaalsContact SG-N 3.43Å; G51-T53 PolarHBondContact O-N 3.15Å; G51-G104 WeakPolarHBondContact CA-O 3.41Å
52L90Very high93.4Very high82 Ų8240.1 Ų40.143%0.42921%0.212SC..  trans-69.1118.7-174.2-63.1177.2000112A54 D55 A56 G104 I105L52-A54 VanDerWaalsContact C-N 3.29Å; L52-A54 PolarHBondContact O-N 3.3Å; L52-D55 HydrophobicContact CB-CB 4.04Å; L52-D55 PolarHBondContact O-N 3.43Å; L52-A56 PolarHBondContact O-N 2.93Å; L52-G104 PolarHBondContact N-O 3.31Å; L52-I105 WeakPolarHBondContact O-CG2 3.43Å
53T90.5Very high93.6Very high72 Ų7239.4 Ų39.444%0.44221%0.208SC..Hα-helixtrans-60.7-36.4180-48.70000112.9K37 F49 G51 A56 R57K37-T53 PolarHBondContact NZ-OG1 3.49Å; F49-T53 HydrophobicContact CE2-CG2 4.5Å; F49-T53 HydrophobicContact CZ-CG2 4.23Å; G51-T53 PolarHBondContact O-N 3.15Å; T53-A56 PolarHBondContact O-N 2.94Å; T53-R57 PolarHBondContact O-N 3.13Å
54A90.7Very high94Very high74 Ų7438.4 Ų38.461%0.61220%0.196SC*.Hα-helixtrans-63.7-44.9179.300000111.5L52 R57 V58L52-A54 VanDerWaalsContact C-N 3.29Å; L52-A54 PolarHBondContact O-N 3.3Å; A54-R57 PolarHBondContact O-N 2.96Å; A54-V58 PolarHBondContact O-N 3.16Å
55D93.1Very high94.2Very high9 Ų941.8 Ų41.85%0.04822%0.218CC..Hα-helixtrans-63-45.4176.5-74.616.3000111.1L52 R57 V58 V59 R101 F103 G104 I105L52-D55 HydrophobicContact CB-CB 4.04Å; L52-D55 PolarHBondContact O-N 3.43Å; D55-R57 VanDerWaalsContact C-N 3.29Å; D55-R57 PolarHBondContact O-N 3.08Å; D55-V58 PolarHBondContact O-N 3.21Å; D55-V59 PolarHBondContact O-N 3.25Å; D55-V59 VanDerWaalsContact O-N 3.16Å; D55-R101 IonicContact OD1-CZ 3.47Å; D55-R101 IonicContact OD1-NH1 3.38Å; D55-R101 PolarHBondContact OD1-NH1 3.4Å; D55-R101 IonicContact OD1-NH2 2.87Å; D55-R101 PolarHBondContact OD1-NH2 2.87Å; D55-R101 IonicContact OD2-CZ 3.58Å; D55-R101 IonicContact OD2-NH1 3.61Å; D55-R101 PolarHBondContact OD2-NH1 2.94Å; D55-R101 IonicContact OD2-NH2 2.68Å; D55-F103 HydrophobicContact CB-CD1 3.95Å; D55-G104 PolarHBondContact OD2-N 3.36Å; D55-I105 HydrophobicContact CB-CG2 3.78Å
56A93.6Very high94.4Very high0 Ų043.6 Ų43.60%023%0.227CC..Hα-helixtrans-57.7-41.7177.600000112.4F49 L52 T53 V58 V59 I60 I105F49-A56 HydrophobicContact CB-CB 4.37Å; F49-A56 HydrophobicContact CD1-CB 3.76Å; F49-A56 HydrophobicContact CD2-CB 3.28Å; F49-A56 HydrophobicContact CE1-CB 3.76Å; F49-A56 HydrophobicContact CE2-CB 3.29Å; F49-A56 HydrophobicContact CG-CB 3.52Å; F49-A56 HydrophobicContact CZ-CB 3.53Å; L52-A56 PolarHBondContact O-N 2.93Å; T53-A56 PolarHBondContact O-N 2.94Å; A56-V58 VanDerWaalsContact C-N 3.3Å; A56-V58 PolarHBondContact O-N 3.17Å; A56-V59 PolarHBondContact O-N 3.15Å; A56-I60 HydrophobicContact CB-CD1 4.39Å; A56-I60 WeakPolarHBondContact O-CB 3.31Å; A56-I60 WeakPolarHBondContact O-CD1 3.42Å; A56-I60 WeakPolarHBondContact O-CG1 3.46Å; A56-I60 PolarHBondContact O-N 3.26Å; A56-I105 HydrophobicContact CB-CD1 4.13Å; A56-I105 HydrophobicContact CB-CG2 4.24Å
57R93.3Very high94.4Very high169 Ų16943.6 Ų43.664%0.63823%0.227SC*.Hα-helixtrans-60.4-39.6178.7-174.4174.5-74.2-160.2-2.2112.3T53 A54 D55 N61T53-R57 PolarHBondContact O-N 3.13Å; A54-R57 PolarHBondContact O-N 2.96Å; D55-R57 VanDerWaalsContact C-N 3.29Å; D55-R57 PolarHBondContact O-N 3.08Å; R57-N61 WeakPolarHBondContact O-CB 3.02Å; R57-N61 VanDerWaalsContact O-CG 3.28Å; R57-N61 PolarHBondContact O-N 3.18Å; R57-N61 PolarHBondContact O-ND2 3.13Å
58V94.6Very high94.4Very high64 Ų6448.4 Ų48.439%0.38825%0.249SC..Hα-helixtrans-65.3-44.3176.8177.20000110.9A54 D55 A56 R62 F103A54-V58 PolarHBondContact O-N 3.16Å; D55-V58 PolarHBondContact O-N 3.21Å; A56-V58 VanDerWaalsContact C-N 3.3Å; A56-V58 PolarHBondContact O-N 3.17Å; V58-R62 PolarHBondContact O-N 3.29Å; V58-R62 VanDerWaalsContact O-N 3.13Å; V58-F103 HydrophobicContact CB-CE1 4.32Å; V58-F103 HydrophobicContact CG1-CE1 4.18Å; V58-F103 HydrophobicContact CG1-CZ 4.35Å
59V95.9Very high94.5Very high0 Ų051.2 Ų51.20%027%0.269CS..Hα-helixtrans-65.4-45.2179.2174.40000111.3M47 D55 A56 N61 R62 A63 I87 F103 I105M47-V59 HydrophobicContact CE-CG1 4.06Å; D55-V59 PolarHBondContact O-N 3.25Å; D55-V59 VanDerWaalsContact O-N 3.16Å; A56-V59 PolarHBondContact O-N 3.15Å; V59-N61 PolarHBondContact O-N 3.09Å; V59-R62 PolarHBondContact O-N 3.12Å; V59-A63 WeakPolarHBondContact O-CB 3.4Å; V59-A63 PolarHBondContact O-N 3.39Å; V59-I87 HydrophobicContact CG1-CG1 4.31Å; V59-I87 HydrophobicContact CG1-CG2 3.84Å; V59-F103 HydrophobicContact CG2-CD1 3.85Å; V59-F103 HydrophobicContact CG2-CD2 4.36Å; V59-F103 HydrophobicContact CG2-CE1 3.86Å; V59-F103 HydrophobicContact CG2-CE2 4.36Å; V59-F103 HydrophobicContact CG2-CG 4.1Å; V59-F103 HydrophobicContact CG2-CZ 4.12Å; V59-I105 HydrophobicContact CB-CD1 3.94Å; V59-I105 HydrophobicContact CG1-CD1 4.3Å; V59-I105 HydrophobicContact CG2-CD1 3.75Å
60I96.1Very high94.6Very high8 Ų852.5 Ų52.54%0.04128%0.275CS..Hα-helixtrans-59.9-46178.3-70.5160000111.1C39 L41 M47 F49 A56 R62 A63 R64C39-I60 HydrophobicContact CB-CD1 3.91Å; C39-I60 HydrophobicContact CB-CG1 4.43Å; C39-I60 HydrophobicContact CB-CG2 4.35Å; L41-I60 HydrophobicContact CD2-CB 4.42Å; L41-I60 HydrophobicContact CD2-CG1 4.43Å; L41-I60 HydrophobicContact CD2-CG2 4.02Å; M47-I60 HydrophobicContact CE-CG1 4.49Å; M47-I60 HydrophobicContact SD-CG1 3.76Å; F49-I60 HydrophobicContact CD1-CD1 4.07Å; F49-I60 HydrophobicContact CE1-CD1 3.91Å; A56-I60 HydrophobicContact CB-CD1 4.39Å; A56-I60 WeakPolarHBondContact O-CB 3.31Å; A56-I60 WeakPolarHBondContact O-CD1 3.42Å; A56-I60 WeakPolarHBondContact O-CG1 3.46Å; A56-I60 PolarHBondContact O-N 3.26Å; I60-R62 VanDerWaalsContact C-N 3.35Å; I60-R62 PolarHBondContact O-N 2.94Å; I60-A63 PolarHBondContact O-N 3.4Å; I60-R64 WeakPolarHBondContact O-CG 3.24Å; I60-R64 PolarHBondContact O-N 3.49Å
61N96.5Very high94.7Very high82 Ų8256.4 Ų56.444%0.43929%0.291SS..Hα-helixtrans-64.4-40.4-179.9-74.6-12.1000111.9R57 V59 R64 V65R57-N61 WeakPolarHBondContact O-CB 3.02Å; R57-N61 VanDerWaalsContact O-CG 3.28Å; R57-N61 PolarHBondContact O-N 3.18Å; R57-N61 PolarHBondContact O-ND2 3.13Å; V59-N61 PolarHBondContact O-N 3.09Å; N61-R64 PolarHBondContact O-N 3.18Å; N61-V65 WeakPolarHBondContact O-CG2 3.48Å; N61-V65 PolarHBondContact O-N 2.93Å; N61-V65 VanDerWaalsContact O-N 3.15Å
62R96.7Very high95Very high92 Ų9262.7 Ų62.735%0.34732%0.32SS..Hα-helixtrans-66-41.6175.3-76.7-179.2170164.9-2.1112.4V58 V59 I60 R64 V65 E66 F86 L90 Y94V58-R62 PolarHBondContact O-N 3.29Å; V58-R62 VanDerWaalsContact O-N 3.13Å; V59-R62 PolarHBondContact O-N 3.12Å; I60-R62 VanDerWaalsContact C-N 3.35Å; I60-R62 PolarHBondContact O-N 2.94Å; R62-R64 VanDerWaalsContact C-N 3.35Å; R62-R64 PolarHBondContact O-N 2.91Å; R62-V65 PolarHBondContact O-N 2.8Å; R62-E66 PolarHBondContact O-N 2.9Å; R62-F86 HydrophobicContact CB-CE1 4.43Å; R62-L90 HydrophobicContact CB-CD2 3.99Å; R62-L90 HydrophobicContact CG-CD2 4.46Å; R62-Y94 VanDerWaalsContact CZ-OH 3.3Å; R62-Y94 VanDerWaalsContact NH1-CZ 3.26Å; R62-Y94 PolarHBondContact NH1-OH 3.04Å; R62-Y94 PolarHBondContact NH2-OH 3.2Å
63A97.3Very high95.3Very high0 Ų064 Ų640%033%0.332CS..Hα-helixtrans-61.9-41.9176.200000111.7L41 V59 I60 V65 E66 C67 I83 I87L41-A63 HydrophobicContact CD1-CB 4.08Å; L41-A63 HydrophobicContact CD2-CB 3.92Å; V59-A63 WeakPolarHBondContact O-CB 3.4Å; V59-A63 PolarHBondContact O-N 3.39Å; I60-A63 PolarHBondContact O-N 3.4Å; A63-V65 PolarHBondContact O-N 2.94Å; A63-E66 WeakPolarHBondContact O-CB 3.4Å; A63-E66 PolarHBondContact O-N 2.83Å; A63-C67 PolarHBondContact O-N 3.38Å; A63-C67 PolarHBondContact O-SG 2.93Å; A63-I83 HydrophobicContact CB-CD1 4.03Å; A63-I83 HydrophobicContact CB-CG1 4.41Å; A63-I87 HydrophobicContact CB-CD1 3.92Å; A63-I87 HydrophobicContact CB-CG1 4.07Å
64R97.3Very high95.5Very high97 Ų9763.9 Ų63.937%0.36633%0.331SS..Hα-helixtrans-60.7-43.7175.5-75.9172.7175.3169.9-3.4113A40 L41 I60 N61 R62 E66 C67 Q68A40-R64 PolarHBondContact O-NE 2.97Å; A40-R64 PolarHBondContact O-NH2 3.41Å; L41-R64 HydrophobicContact CD2-CG 4.47Å; L41-R64 WeakPolarHBondContact O-CG 3.34Å; I60-R64 WeakPolarHBondContact O-CG 3.24Å; I60-R64 PolarHBondContact O-N 3.49Å; N61-R64 PolarHBondContact O-N 3.18Å; R62-R64 VanDerWaalsContact C-N 3.35Å; R62-R64 PolarHBondContact O-N 2.91Å; R64-E66 VanDerWaalsContact C-N 3.3Å; R64-C67 PolarHBondContact O-N 2.95Å; R64-Q68 WeakPolarHBondContact O-CG 3.43Å; R64-Q68 PolarHBondContact O-N 3.25Å
65V97.4Very high95.6Very high104 Ų10468.5 Ų68.563%0.6334%0.34SS*.Hα-helixtrans-62.4-42176172.60000110.3N61 R62 A63 Q68 S69N61-V65 WeakPolarHBondContact O-CG2 3.48Å; N61-V65 PolarHBondContact O-N 2.93Å; N61-V65 VanDerWaalsContact O-N 3.15Å; R62-V65 PolarHBondContact O-N 2.8Å; A63-V65 PolarHBondContact O-N 2.94Å; V65-Q68 PolarHBondContact O-N 3.41Å; V65-S69 WeakPolarHBondContact O-CB 3.36Å; V65-S69 PolarHBondContact O-N 2.93Å
66E97.5Very high95.5Very high40 Ų4072.6 Ų72.619%0.18736%0.362CS..Hα-helixtrans-62-43.6176.8-169.167.5-172.100112.2R62 A63 R64 Q68 S69 H70 Y82 I83 F86R62-E66 PolarHBondContact O-N 2.9Å; A63-E66 WeakPolarHBondContact O-CB 3.4Å; A63-E66 PolarHBondContact O-N 2.83Å; R64-E66 VanDerWaalsContact C-N 3.3Å; E66-Q68 VanDerWaalsContact C-N 3.3Å; E66-Q68 PolarHBondContact O-N 2.98Å; E66-S69 PolarHBondContact O-N 3.31Å; E66-H70 WeakPolarHBondContact O-CB 3.43Å; E66-H70 PolarHBondContact O-N 3.31Å; E66-Y82 HydrophobicContact CG-CE1 4.24Å; E66-Y82 PolarHBondContact OE1-OH 3.03Å; E66-I83 HydrophobicContact CB-CD1 4.09Å; E66-I83 HydrophobicContact CG-CD1 4.24Å; E66-F86 HydrophobicContact CB-CD1 3.96Å; E66-F86 HydrophobicContact CB-CD2 4.41Å; E66-F86 HydrophobicContact CB-CE1 3.69Å; E66-F86 HydrophobicContact CB-CE2 4.17Å; E66-F86 HydrophobicContact CB-CG 4.31Å; E66-F86 HydrophobicContact CB-CZ 3.8Å; E66-F86 HydrophobicContact CG-CB 4.39Å; E66-F86 HydrophobicContact CG-CD1 3.88Å; E66-F86 HydrophobicContact CG-CD2 3.66Å; E66-F86 HydrophobicContact CG-CE1 4Å; E66-F86 HydrophobicContact CG-CE2 3.77Å; E66-F86 HydrophobicContact CG-CG 3.71Å; E66-F86 HydrophobicContact CG-CZ 3.94Å; E66-F86 VanDerWaalsContact OE2-CE2 3.25Å; E66-F86 WeakPolarHBondContact OE2-CE2 3.43Å
67C96Very high95.4Very high0 Ų074.2 Ų74.20%037%0.373CS..Hα-helixtrans-55.5-46.7176.7-63.20000111.6D42 A63 R64 K71 V78D42-C67 HydrophobicContact CB-CB 4.34Å; A63-C67 PolarHBondContact O-N 3.38Å; A63-C67 PolarHBondContact O-SG 2.93Å; R64-C67 PolarHBondContact O-N 2.95Å; C67-K71 WeakPolarHBondContact O-CB 3.47Å; C67-K71 PolarHBondContact O-N 3.14Å; C67-V78 HydrophobicContact CB-CG1 4.45Å; C67-V78 HydrophobicContact CB-CG2 4.12Å
68Q95.9Very high95.5Very high102 Ų10266.3 Ų66.348%0.47734%0.343SS..Hα-helixtrans-71.5-37.4179.7-59.9-53.6-51.600112.3R64 V65 E66 K71 L72R64-Q68 WeakPolarHBondContact O-CG 3.43Å; R64-Q68 PolarHBondContact O-N 3.25Å; V65-Q68 PolarHBondContact O-N 3.41Å; E66-Q68 VanDerWaalsContact C-N 3.3Å; E66-Q68 PolarHBondContact O-N 2.98Å; Q68-K71 PolarHBondContact O-N 3.14Å; Q68-L72 WeakPolarHBondContact O-CB 3.4Å; Q68-L72 PolarHBondContact O-N 3.34Å
69S97.1Very high95.5Very high58 Ų5865.9 Ų65.941%0.40634%0.341SS..Hα-helixtrans-64.2-44.2177.2-170.40000111.9V65 E66 L72 T73V65-S69 WeakPolarHBondContact O-CB 3.36Å; V65-S69 PolarHBondContact O-N 2.93Å; E66-S69 PolarHBondContact O-N 3.31Å; S69-L72 PolarHBondContact O-N 3.3Å; S69-T73 WeakPolarHBondContact O-CB 3.23Å; S69-T73 PolarHBondContact O-N 3.17Å; S69-T73 VanDerWaalsContact O-N 3.12Å; S69-T73 PolarHBondContact O-OG1 2.9Å
70H96.1Very high95.5Very high32 Ų3265.9 Ų65.915%0.14834%0.341CS..Hα-helixtrans-62.1-48.4175.3-177.3-81.2000110.8E66 L72 T73 V74 D76 V78 Y82E66-H70 WeakPolarHBondContact O-CB 3.43Å; E66-H70 PolarHBondContact O-N 3.31Å; H70-L72 VanDerWaalsContact C-N 3.26Å; H70-L72 PolarHBondContact O-N 3.01Å; H70-T73 PolarHBondContact O-N 3.23Å; H70-V74 PolarHBondContact O-N 3.22Å; H70-D76 PolarHBondContact ND1-O 3.24Å; H70-V78 HydrophobicContact CB-CG1 3.49Å; H70-V78 VanDerWaalsContact CB-CG1 3.49Å; H70-Y82 HydrophobicContact CB-CE1 4.19Å; H70-Y82 AromaticContact CD2-CE1 3.46Å; H70-Y82 VanDerWaalsContact CD2-CE1 3.46Å; H70-Y82 WeakPolarHBondContact CD2-CE1 3.35Å; H70-Y82 AromaticContact CD2-CZ 3.49Å; H70-Y82 VanDerWaalsContact CD2-CZ 3.49Å
71K94.1Very high95.5Very high86 Ų8668.6 Ų68.637%0.37435%0.353SS..Hα-helixtrans-58.6-36.4178.1-169.9175.5-174.9172.40112.8C67 Q68 E75 D76C67-K71 WeakPolarHBondContact O-CB 3.47Å; C67-K71 PolarHBondContact O-N 3.14Å; Q68-K71 PolarHBondContact O-N 3.14Å; K71-E75 WeakPolarHBondContact O-CA 3.49Å; K71-E75 PolarHBondContact O-N 3.39Å; K71-E75 VanDerWaalsContact O-N 3.08Å; K71-D76 WeakPolarHBondContact CA-O 3Å
72L96.2Very high95.5Very high145 Ų14568.3 Ų68.376%0.75935%0.346SS*.Hα-helixtrans-70.2-32.7175.4-177.864.3000112.9Q68 S69 H70Q68-L72 WeakPolarHBondContact O-CB 3.4Å; Q68-L72 PolarHBondContact O-N 3.34Å; S69-L72 PolarHBondContact O-N 3.3Å; H70-L72 VanDerWaalsContact C-N 3.26Å; H70-L72 PolarHBondContact O-N 3.01Å
73T96.3Very high95.5Very high109 Ų10963.9 Ų63.967%0.66933%0.33SS*.Hα-helixtrans-89.1-40.7-172.9-53.10000112.5S69 H70S69-T73 WeakPolarHBondContact O-CB 3.23Å; S69-T73 PolarHBondContact O-N 3.17Å; S69-T73 VanDerWaalsContact O-N 3.12Å; S69-T73 PolarHBondContact O-OG1 2.9Å; H70-T73 PolarHBondContact O-N 3.23Å
74V93.9Very high95.5Very high71 Ų7163.9 Ų63.943%0.4333%0.33SS..Hα-helixtrans-102.1-9-173.7-172.70000111.2H70 D76H70-V74 PolarHBondContact O-N 3.22Å; V74-D76 HydrophobicContact CG1-CB 4.38Å; V74-D76 PolarHBondContact O-N 3.17Å
75E92.8Very high95.5Very high171 Ų17164.8 Ų64.880%0.79933%0.333SS*.SBendtrans63.5-12.2-174.3-57-170.9153.700115K71K71-E75 WeakPolarHBondContact O-CA 3.49Å; K71-E75 PolarHBondContact O-N 3.39Å; K71-E75 VanDerWaalsContact O-N 3.08Å
76D90.8Very high95.6Very high94 Ų9462.4 Ų62.450%0.50331%0.314SS..SBendtrans-100.1149175.8-68.6-35.7000113.2H70 K71 V74H70-D76 PolarHBondContact ND1-O 3.24Å; K71-D76 WeakPolarHBondContact CA-O 3Å; V74-D76 HydrophobicContact CG1-CB 4.38Å; V74-D76 PolarHBondContact O-N 3.17Å
77P91.8Very high95.5Very high35 Ų3560.5 Ų60.523%0.22731%0.306CS..PPolyproline II helixtrans-61.5156.4172.828-34.1000111.8
78V94.4Very high95.6Very high2 Ų260.6 Ų60.61%0.01231%0.306CS..PPolyproline II helixtrans-67.7141.5178.7-71.50000111.8H44 V45 C67 H70 Y82 I83H44-V78 PolarHBondContact NE2-O 2.75Å; V45-V78 HydrophobicContact CG2-CG2 4.42Å; C67-V78 HydrophobicContact CB-CG1 4.45Å; C67-V78 HydrophobicContact CB-CG2 4.12Å; H70-V78 HydrophobicContact CB-CG1 3.49Å; H70-V78 VanDerWaalsContact CB-CG1 3.49Å; V78-Y82 HydrophobicContact CB-CD1 4.18Å; V78-Y82 HydrophobicContact CG1-CD1 3.84Å; V78-Y82 HydrophobicContact CG1-CE1 4.06Å; V78-I83 HydrophobicContact CG2-CB 4.38Å
79T95.2Very high95.6Very high55 Ų5559.4 Ų59.434%0.33731%0.306SS..PPolyproline II helixtrans-74.1149.5164.564.70000110.6E81 Y82 I83 D113T79-E81 PolarHBondContact O-N 2.93Å; T79-Y82 PolarHBondContact O-N 3.25Å; T79-Y82 VanDerWaalsContact O-N 3.14Å; T79-Y82 WeakPolarHBondContact OG1-CB 3.45Å; T79-Y82 PolarHBondContact OG1-N 3.15Å; T79-I83 PolarHBondContact O-N 2.81Å; T79-I83 VanDerWaalsContact O-N 3.14Å; T79-D113 WeakPolarHBondContact CA-OD1 3.4Å; T79-D113 WeakPolarHBondContact CB-OD2 3.36Å; T79-D113 HydrophobicContact CG2-CB 4.49Å
80V95.8Very high95.5Very high0 Ų057.7 Ų57.70%029%0.292CS..Hα-helixtrans-60.3-34.9178.11790000110.6V45 I83 T84 I109 D113 R119 Y121V45-V80 HydrophobicContact CG2-CG2 4.11Å; V80-I83 WeakPolarHBondContact O-CG2 3.45Å; V80-T84 VanDerWaalsContact O-CB 3.25Å; V80-T84 WeakPolarHBondContact O-CB 3.19Å; V80-T84 PolarHBondContact O-N 3.49Å; V80-T84 VanDerWaalsContact O-N 3.12Å; V80-T84 PolarHBondContact O-OG1 2.86Å; V80-I109 HydrophobicContact CG1-CG2 4.06Å; V80-D113 VanDerWaalsContact CG2-OD1 3.25Å; V80-D113 WeakPolarHBondContact CG2-OD1 3.34Å; V80-D113 PolarHBondContact N-OD1 3.14Å; V80-R119 HydrophobicContact CB-CB 3.96Å; V80-R119 HydrophobicContact CG1-CB 3.96Å; V80-R119 HydrophobicContact CG2-CB 4.31Å; V80-Y121 HydrophobicContact CG1-CD2 3.79Å; V80-Y121 HydrophobicContact CG1-CE2 4.25Å
81E96.4Very high95.5Very high65 Ų6556.1 Ų56.130%0.30429%0.285SS..Hα-helixtrans-67-45175.5-170.3-174.7148.800111.9T79 T84 R85 Y121 Y129T79-E81 PolarHBondContact O-N 2.93Å; E81-T84 WeakPolarHBondContact O-CB 3.49Å; E81-T84 PolarHBondContact O-N 3.33Å; E81-R85 WeakPolarHBondContact O-CB 3.36Å; E81-R85 PolarHBondContact O-N 2.79Å; E81-R85 IonicContact OE1-CZ 2.74Å; E81-R85 IonicContact OE1-NH2 3.97Å; E81-R85 PolarHBondContact OE1-NH2 3.4Å; E81-Y121 HydrophobicContact CB-CE2 4.16Å; E81-Y121 HydrophobicContact CG-CE1 4.2Å; E81-Y121 PolarHBondContact OE2-OH 3.33Å; E81-Y129 HydrophobicContact CG-CE2 4.3Å
82Y96.6Very high95.6Very high76 Ų7656.7 Ų56.730%0.29829%0.289SS..Hα-helixtrans-59.1-51.2-179.4173.6-95.2000111.6E66 H70 V78 T79 T84 R85 F86E66-Y82 HydrophobicContact CG-CE1 4.24Å; E66-Y82 PolarHBondContact OE1-OH 3.03Å; H70-Y82 HydrophobicContact CB-CE1 4.19Å; H70-Y82 AromaticContact CD2-CE1 3.46Å; H70-Y82 VanDerWaalsContact CD2-CE1 3.46Å; H70-Y82 WeakPolarHBondContact CD2-CE1 3.35Å; H70-Y82 AromaticContact CD2-CZ 3.49Å; H70-Y82 VanDerWaalsContact CD2-CZ 3.49Å; V78-Y82 HydrophobicContact CB-CD1 4.18Å; V78-Y82 HydrophobicContact CG1-CD1 3.84Å; V78-Y82 HydrophobicContact CG1-CE1 4.06Å; T79-Y82 PolarHBondContact O-N 3.25Å; T79-Y82 VanDerWaalsContact O-N 3.14Å; T79-Y82 WeakPolarHBondContact OG1-CB 3.45Å; T79-Y82 PolarHBondContact OG1-N 3.15Å; Y82-T84 VanDerWaalsContact C-N 3.28Å; Y82-T84 PolarHBondContact O-N 3.34Å; Y82-R85 WeakPolarHBondContact O-CB 3.49Å; Y82-R85 PolarHBondContact O-N 3.06Å; Y82-R85 VanDerWaalsContact O-N 3.14Å; Y82-F86 PolarHBondContact O-N 3.34Å
83I97.1Very high95.5Very high0 Ų056.4 Ų56.40%028%0.281CS..Hα-helixtrans-66.1-33.9-179.8-168.461000111.8L41 V45 A63 E66 V78 T79 V80 F86 I87 I109L41-I83 HydrophobicContact CD1-CG1 4.2Å; V45-I83 HydrophobicContact CG1-CG2 4.11Å; A63-I83 HydrophobicContact CB-CD1 4.03Å; A63-I83 HydrophobicContact CB-CG1 4.41Å; E66-I83 HydrophobicContact CB-CD1 4.09Å; E66-I83 HydrophobicContact CG-CD1 4.24Å; V78-I83 HydrophobicContact CG2-CB 4.38Å; T79-I83 PolarHBondContact O-N 2.81Å; T79-I83 VanDerWaalsContact O-N 3.14Å; V80-I83 WeakPolarHBondContact O-CG2 3.45Å; I83-F86 HydrophobicContact CD1-CD1 4.18Å; I83-F86 PolarHBondContact O-N 3.36Å; I83-I87 HydrophobicContact CG1-CD1 4.26Å; I83-I87 VanDerWaalsContact O-CG1 3.29Å; I83-I87 WeakPolarHBondContact O-CG1 3.45Å; I83-I87 PolarHBondContact O-N 2.85Å; I83-I109 HydrophobicContact CG2-CG2 4.4Å
84T97.3Very high95.4Very high0 Ų053 Ų530%026%0.256CS..Hα-helixtrans-61.4-46.2172.7-64.10000111.1V80 E81 Y82 I87 A88 I109 Y121 T123 Y129V80-T84 VanDerWaalsContact O-CB 3.25Å; V80-T84 WeakPolarHBondContact O-CB 3.19Å; V80-T84 PolarHBondContact O-N 3.49Å; V80-T84 VanDerWaalsContact O-N 3.12Å; V80-T84 PolarHBondContact O-OG1 2.86Å; E81-T84 WeakPolarHBondContact O-CB 3.49Å; E81-T84 PolarHBondContact O-N 3.33Å; Y82-T84 VanDerWaalsContact C-N 3.28Å; Y82-T84 PolarHBondContact O-N 3.34Å; T84-I87 PolarHBondContact O-N 3.37Å; T84-A88 WeakPolarHBondContact O-CB 3.23Å; T84-A88 PolarHBondContact O-N 3Å; T84-I109 HydrophobicContact CG2-CD1 4.1Å; T84-I109 WeakPolarHBondContact OG1-CD1 3.44Å; T84-Y121 HydrophobicContact CG2-CD1 4.01Å; T84-Y121 HydrophobicContact CG2-CG 3.9Å; T84-T123 HydrophobicContact CG2-CG2 3.61Å; T84-Y129 HydrophobicContact CG2-CD2 3.58Å; T84-Y129 HydrophobicContact CG2-CE2 4.43Å; T84-Y129 HydrophobicContact CG2-CG 3.74Å
85R97.6Very high95.3Very high116 Ų11652.6 Ų52.644%0.43825%0.254SS..Hα-helixtrans-62.1-44.9178.2-170.3-175.5-55.1-1804.9111.2E81 Y82 I87 A88 T89 Y129E81-R85 WeakPolarHBondContact O-CB 3.36Å; E81-R85 PolarHBondContact O-N 2.79Å; E81-R85 IonicContact OE1-CZ 2.74Å; E81-R85 IonicContact OE1-NH2 3.97Å; E81-R85 PolarHBondContact OE1-NH2 3.4Å; Y82-R85 WeakPolarHBondContact O-CB 3.49Å; Y82-R85 PolarHBondContact O-N 3.06Å; Y82-R85 VanDerWaalsContact O-N 3.14Å; R85-I87 PolarHBondContact O-N 3.33Å; R85-A88 WeakPolarHBondContact O-CB 3.34Å; R85-A88 PolarHBondContact O-N 3.22Å; R85-A88 VanDerWaalsContact O-N 3.17Å; R85-T89 PolarHBondContact O-N 3.43Å; R85-T89 PolarHBondContact O-OG1 2.86Å; R85-T89 VanDerWaalsContact O-OG1 3.1Å; R85-Y129 HydrophobicContact CB-CE1 4.17Å; R85-Y129 HydrophobicContact CG-CE1 4.02Å; R85-Y129 PolarHBondContact NE-OH 3.42Å
86F97.7Very high95.3Very high54 Ų5451.6 Ų51.624%0.23725%0.25CC..Hα-helixtrans-56.6-48.2174.5172.6-96.7000111.9R62 E66 Y82 I83 A88 T89 L90R62-F86 HydrophobicContact CB-CE1 4.43Å; E66-F86 HydrophobicContact CB-CD1 3.96Å; E66-F86 HydrophobicContact CB-CD2 4.41Å; E66-F86 HydrophobicContact CB-CE1 3.69Å; E66-F86 HydrophobicContact CB-CE2 4.17Å; E66-F86 HydrophobicContact CB-CG 4.31Å; E66-F86 HydrophobicContact CB-CZ 3.8Å; E66-F86 HydrophobicContact CG-CB 4.39Å; E66-F86 HydrophobicContact CG-CD1 3.88Å; E66-F86 HydrophobicContact CG-CD2 3.66Å; E66-F86 HydrophobicContact CG-CE1 4Å; E66-F86 HydrophobicContact CG-CE2 3.77Å; E66-F86 HydrophobicContact CG-CG 3.71Å; E66-F86 HydrophobicContact CG-CZ 3.94Å; E66-F86 VanDerWaalsContact OE2-CE2 3.25Å; E66-F86 WeakPolarHBondContact OE2-CE2 3.43Å; Y82-F86 PolarHBondContact O-N 3.34Å; I83-F86 HydrophobicContact CD1-CD1 4.18Å; I83-F86 PolarHBondContact O-N 3.36Å; F86-A88 VanDerWaalsContact C-N 3.31Å; F86-A88 PolarHBondContact O-N 2.89Å; F86-T89 PolarHBondContact O-N 2.78Å; F86-L90 VanDerWaalsContact O-CB 3.31Å; F86-L90 WeakPolarHBondContact O-CB 3.14Å; F86-L90 PolarHBondContact O-N 2.93Å
87I96.9Very high95.4Very high0 Ų049.2 Ų49.20%024%0.24CC..Hα-helixtrans-61.3-41.1177.2-70.2167.2000110.9L41 M47 V59 A63 I83 T84 R85 L90 K91 I109 T123L41-I87 HydrophobicContact CD1-CD1 4.1Å; M47-I87 HydrophobicContact SD-CD1 4.47Å; V59-I87 HydrophobicContact CG1-CG1 4.31Å; V59-I87 HydrophobicContact CG1-CG2 3.84Å; A63-I87 HydrophobicContact CB-CD1 3.92Å; A63-I87 HydrophobicContact CB-CG1 4.07Å; I83-I87 HydrophobicContact CG1-CD1 4.26Å; I83-I87 VanDerWaalsContact O-CG1 3.29Å; I83-I87 WeakPolarHBondContact O-CG1 3.45Å; I83-I87 PolarHBondContact O-N 2.85Å; T84-I87 PolarHBondContact O-N 3.37Å; R85-I87 PolarHBondContact O-N 3.33Å; I87-L90 WeakPolarHBondContact O-CB 3.47Å; I87-L90 PolarHBondContact O-N 3.35Å; I87-K91 WeakPolarHBondContact O-CG 3.35Å; I87-K91 PolarHBondContact O-N 3.13Å; I87-I109 HydrophobicContact CD1-CD1 3.64Å; I87-I109 HydrophobicContact CD1-CG1 4.46Å; I87-T123 HydrophobicContact CG2-CG2 4.36Å
88A96.9Very high95.4Very high2 Ų255.4 Ų55.42%0.01727%0.272CS..Hα-helixtrans-65.3-47.1179.500000111.6T84 R85 F86 L90 K91 Q92 G127 Y129T84-A88 WeakPolarHBondContact O-CB 3.23Å; T84-A88 PolarHBondContact O-N 3Å; R85-A88 WeakPolarHBondContact O-CB 3.34Å; R85-A88 PolarHBondContact O-N 3.22Å; R85-A88 VanDerWaalsContact O-N 3.17Å; F86-A88 VanDerWaalsContact C-N 3.31Å; F86-A88 PolarHBondContact O-N 2.89Å; A88-L90 VanDerWaalsContact C-N 3.31Å; A88-L90 PolarHBondContact O-N 2.79Å; A88-K91 PolarHBondContact O-N 3.41Å; A88-Q92 PolarHBondContact O-N 2.86Å; A88-G127 WeakPolarHBondContact CB-O 3.46Å; A88-G127 VanDerWaalsContact O-CA 3.26Å; A88-G127 WeakPolarHBondContact O-CA 3.31Å; A88-Y129 HydrophobicContact CB-CD1 3.73Å; A88-Y129 HydrophobicContact CB-CG 4.34Å
89T96.6Very high95.4Very high76 Ų7659.7 Ų59.747%0.46632%0.316SS..Hα-helixtrans-61.3-39.8174-58.60000111.6R85 F86 K91 Q92 K93R85-T89 PolarHBondContact O-N 3.43Å; R85-T89 PolarHBondContact O-OG1 2.86Å; R85-T89 VanDerWaalsContact O-OG1 3.1Å; F86-T89 PolarHBondContact O-N 2.78Å; T89-K91 VanDerWaalsContact C-N 3.34Å; T89-K91 PolarHBondContact O-N 2.95Å; T89-Q92 PolarHBondContact O-N 3.1Å; T89-K93 WeakPolarHBondContact O-CB 3.29Å; T89-K93 PolarHBondContact O-N 3.45Å
90L95.8Very high95.2Very high22 Ų2264.7 Ų64.712%0.11533%0.329CS..Hα-helixtrans-60.2-44.2175.4-177.564.9000111.6R62 F86 I87 A88 Y94 F103R62-L90 HydrophobicContact CB-CD2 3.99Å; R62-L90 HydrophobicContact CG-CD2 4.46Å; F86-L90 VanDerWaalsContact O-CB 3.31Å; F86-L90 WeakPolarHBondContact O-CB 3.14Å; F86-L90 PolarHBondContact O-N 2.93Å; I87-L90 WeakPolarHBondContact O-CB 3.47Å; I87-L90 PolarHBondContact O-N 3.35Å; A88-L90 VanDerWaalsContact C-N 3.31Å; A88-L90 PolarHBondContact O-N 2.79Å; L90-Y94 HydrophobicContact CD1-CE2 4.19Å; L90-Y94 WeakPolarHBondContact O-CD2 3.46Å; L90-Y94 PolarHBondContact O-N 2.84Å; L90-F103 HydrophobicContact CG-CE2 4.39Å
91K95.1Very high95.1Very high0 Ų071.6 Ų71.60%036%0.355CS..Hα-helixtrans-63.8-49175.9-70.8-180-176.7-174.90111.4I87 A88 T89 K93 Y94 T95 F103 I105 T123 D124I87-K91 WeakPolarHBondContact O-CG 3.35Å; I87-K91 PolarHBondContact O-N 3.13Å; A88-K91 PolarHBondContact O-N 3.41Å; T89-K91 VanDerWaalsContact C-N 3.34Å; T89-K91 PolarHBondContact O-N 2.95Å; K91-K93 VanDerWaalsContact C-N 3.33Å; K91-K93 PolarHBondContact O-N 3.13Å; K91-Y94 PolarHBondContact O-N 3.48Å; K91-T95 PolarHBondContact O-N 3.44Å; K91-T95 PolarHBondContact O-OG1 3.16Å; K91-F103 HydrophobicContact CG-CB 4.41Å; K91-F103 HydrophobicContact CG-CD2 4.19Å; K91-I105 PolarHBondContact NZ-O 2.96Å; K91-T123 PolarHBondContact NZ-O 3.29Å; K91-T123 PolarHBondContact NZ-OG1 2.85Å; K91-D124 WeakPolarHBondContact CD-O 3.35Å
92Q95.7Very high94.9Very high97 Ų9771.7 Ų71.745%0.45336%0.361SS..Hα-helixtrans-58.8-42.8179.8-166.4-154.522.700112.2A88 T89 Y94 T95 Q96A88-Q92 PolarHBondContact O-N 2.86Å; T89-Q92 PolarHBondContact O-N 3.1Å; Q92-Y94 PolarHBondContact O-N 3.37Å; Q92-T95 WeakPolarHBondContact O-CA 3.25Å; Q92-T95 WeakPolarHBondContact O-CB 3.24Å; Q92-T95 PolarHBondContact O-N 2.92Å; Q92-Q96 PolarHBondContact O-N 3.36Å; Q92-Q96 VanDerWaalsContact O-N 3.07Å
93K95.1Very high94.7Very high139 Ų13968.6 Ų68.660%0.60435%0.349SS*.Hα-helixtrans-58.8-37.4179.5-173.4172.2-176.4172.80111.8T89 K91 T95 Q96 S97T89-K93 WeakPolarHBondContact O-CB 3.29Å; T89-K93 PolarHBondContact O-N 3.45Å; K91-K93 VanDerWaalsContact C-N 3.33Å; K91-K93 PolarHBondContact O-N 3.13Å; K93-T95 VanDerWaalsContact C-N 3.31Å; K93-Q96 PolarHBondContact O-N 3.28Å; K93-S97 VanDerWaalsContact O-CB 3.3Å; K93-S97 WeakPolarHBondContact O-CB 2.97Å; K93-S97 PolarHBondContact O-N 3.4Å; K93-S97 VanDerWaalsContact O-N 3.11Å; K93-S97 PolarHBondContact O-OG 2.91Å
94Y93.6Very high94.4Very high37 Ų3770.2 Ų70.215%0.14537%0.366CS..Hα-helixtrans-70.5-27.8176.6-89.1-111.6000113.2R62 L90 K91 Q92 R100 F103R62-Y94 VanDerWaalsContact CZ-OH 3.3Å; R62-Y94 VanDerWaalsContact NH1-CZ 3.26Å; R62-Y94 PolarHBondContact NH1-OH 3.04Å; R62-Y94 PolarHBondContact NH2-OH 3.2Å; L90-Y94 HydrophobicContact CD1-CE2 4.19Å; L90-Y94 WeakPolarHBondContact O-CD2 3.46Å; L90-Y94 PolarHBondContact O-N 2.84Å; K91-Y94 PolarHBondContact O-N 3.48Å; Q92-Y94 PolarHBondContact O-N 3.37Å; Y94-R100 HydrophobicContact CD1-CB 4.11Å; Y94-R100 HydrophobicContact CD1-CG 4.44Å; Y94-F103 HydrophobicContact CD1-CD2 4.36Å; Y94-F103 AromaticContact CD1-CE2 3.7Å; Y94-F103 HydrophobicContact CD1-CE2 3.7Å; Y94-F103 AromaticContact CD1-CZ 3.9Å; Y94-F103 HydrophobicContact CD1-CZ 3.9Å; Y94-F103 HydrophobicContact CD2-CD2 4.4Å; Y94-F103 AromaticContact CD2-CE2 3.47Å; Y94-F103 HydrophobicContact CD2-CE2 3.47Å; Y94-F103 VanDerWaalsContact CD2-CE2 3.47Å; Y94-F103 HydrophobicContact CD2-CZ 4.08Å; Y94-F103 HydrophobicContact CE1-CE2 4.05Å; Y94-F103 AromaticContact CE1-CZ 3.81Å; Y94-F103 HydrophobicContact CE1-CZ 3.81Å; Y94-F103 AromaticContact CE2-CE2 3.84Å; Y94-F103 HydrophobicContact CE2-CE2 3.84Å; Y94-F103 HydrophobicContact CE2-CZ 4.01Å; Y94-F103 HydrophobicContact CG-CD2 4.01Å; Y94-F103 AromaticContact CG-CE2 3.39Å; Y94-F103 HydrophobicContact CG-CE2 3.39Å; Y94-F103 HydrophobicContact CG-CZ 4.03Å; Y94-F103 AromaticContact CZ-CZ 3.87Å
95T91.7Very high94.3Very high63 Ų6370.2 Ų70.239%0.38737%0.366SS..Hα-helixtrans-74-34.2174.5-53.50000112.1K91 Q92 K93 P102K91-T95 PolarHBondContact O-N 3.44Å; K91-T95 PolarHBondContact O-OG1 3.16Å; Q92-T95 WeakPolarHBondContact O-CA 3.25Å; Q92-T95 WeakPolarHBondContact O-CB 3.24Å; Q92-T95 PolarHBondContact O-N 2.92Å; K93-T95 VanDerWaalsContact C-N 3.31Å; T95-P102 HydrophobicContact CG2-CG 4.29Å
96Q92.2Very high94.1Very high150 Ų15066 Ų6670%0.70135%0.354SS*.Hα-helixtrans-93.4-1.9-178.4-65-65.7-17.600114Q92 K93Q92-Q96 PolarHBondContact O-N 3.36Å; Q92-Q96 VanDerWaalsContact O-N 3.07Å; K93-Q96 PolarHBondContact O-N 3.28Å
97S92.9Very high94Very high44 Ų4463.4 Ų63.431%0.30834%0.343SS..SBendtrans-96.1130.7-178.9-64.80000111.8K93 R100K93-S97 VanDerWaalsContact O-CB 3.3Å; K93-S97 WeakPolarHBondContact O-CB 2.97Å; K93-S97 PolarHBondContact O-N 3.4Å; K93-S97 VanDerWaalsContact O-N 3.11Å; K93-S97 PolarHBondContact O-OG 2.91Å; S97-R100 PolarHBondContact O-N 3.47Å
98N93.6Very high94Very high166 Ų16663.4 Ų63.489%0.88834%0.343SS*.THydrogen-bonded Turntrans-62140.7174.8-64-25.1000111.6R100N98-R100 PolarHBondContact O-N 2.85Å
99G92.8Very high94.1Very high91 Ų9163.3 Ų63.394%0.93834%0.342SS*.THydrogen-bonded Turntrans70.610.1178.100000115
100R91.4Very high94.1Very high161 Ų16159.8 Ų59.861%0.60832%0.321SS*.  trans-112.8148.7173.1-60.9-64.6-171.4174.4-0.6109.6Y94 S97 N98Y94-R100 HydrophobicContact CD1-CB 4.11Å; Y94-R100 HydrophobicContact CD1-CG 4.44Å; S97-R100 PolarHBondContact O-N 3.47Å; N98-R100 PolarHBondContact O-N 2.85Å
101R93.3Very high94Very high145 Ų14558.8 Ų58.855%0.54732%0.315SS..PPolyproline II helixtrans-98.1145.8168.266.5173.4-176.677.5-1.1110D55D55-R101 IonicContact OD1-CZ 3.47Å; D55-R101 IonicContact OD1-NH1 3.38Å; D55-R101 PolarHBondContact OD1-NH1 3.4Å; D55-R101 IonicContact OD1-NH2 2.87Å; D55-R101 PolarHBondContact OD1-NH2 2.87Å; D55-R101 IonicContact OD2-CZ 3.58Å; D55-R101 IonicContact OD2-NH1 3.61Å; D55-R101 PolarHBondContact OD2-NH1 2.94Å; D55-R101 IonicContact OD2-NH2 2.68Å
102P92.4Very high94Very high66 Ų6659.2 Ų59.243%0.42932%0.317SS..PPolyproline II helixtrans-57.8153.3170.8-2332.7000112T95 G104T95-P102 HydrophobicContact CG2-CG 4.29Å; P102-G104 PolarHBondContact O-N 3.2Å
103F93.6Very high93.8Very high11 Ų1155.2 Ų55.25%0.04830%0.299CS..PPolyproline II helixtrans-73.1125.7172.6-70.2-78.3000110.1D55 V58 V59 L90 K91 Y94 I105 P125D55-F103 HydrophobicContact CB-CD1 3.95Å; V58-F103 HydrophobicContact CB-CE1 4.32Å; V58-F103 HydrophobicContact CG1-CE1 4.18Å; V58-F103 HydrophobicContact CG1-CZ 4.35Å; V59-F103 HydrophobicContact CG2-CD1 3.85Å; V59-F103 HydrophobicContact CG2-CD2 4.36Å; V59-F103 HydrophobicContact CG2-CE1 3.86Å; V59-F103 HydrophobicContact CG2-CE2 4.36Å; V59-F103 HydrophobicContact CG2-CG 4.1Å; V59-F103 HydrophobicContact CG2-CZ 4.12Å; L90-F103 HydrophobicContact CG-CE2 4.39Å; K91-F103 HydrophobicContact CG-CB 4.41Å; K91-F103 HydrophobicContact CG-CD2 4.19Å; Y94-F103 HydrophobicContact CD1-CD2 4.36Å; Y94-F103 AromaticContact CD1-CE2 3.7Å; Y94-F103 HydrophobicContact CD1-CE2 3.7Å; Y94-F103 AromaticContact CD1-CZ 3.9Å; Y94-F103 HydrophobicContact CD1-CZ 3.9Å; Y94-F103 HydrophobicContact CD2-CD2 4.4Å; Y94-F103 AromaticContact CD2-CE2 3.47Å; Y94-F103 HydrophobicContact CD2-CE2 3.47Å; Y94-F103 VanDerWaalsContact CD2-CE2 3.47Å; Y94-F103 HydrophobicContact CD2-CZ 4.08Å; Y94-F103 HydrophobicContact CE1-CE2 4.05Å; Y94-F103 AromaticContact CE1-CZ 3.81Å; Y94-F103 HydrophobicContact CE1-CZ 3.81Å; Y94-F103 AromaticContact CE2-CE2 3.84Å; Y94-F103 HydrophobicContact CE2-CE2 3.84Å; Y94-F103 HydrophobicContact CE2-CZ 4.01Å; Y94-F103 HydrophobicContact CG-CD2 4.01Å; Y94-F103 AromaticContact CG-CE2 3.39Å; Y94-F103 HydrophobicContact CG-CE2 3.39Å; Y94-F103 HydrophobicContact CG-CZ 4.03Å; Y94-F103 AromaticContact CZ-CZ 3.87Å; F103-I105 HydrophobicContact CB-CG1 4.36Å; F103-I105 PolarHBondContact O-N 3.05Å; F103-P125 WeakPolarHBondContact O-CB 2.92Å
104G91.2Very high93.3Very high35 Ų3553.9 Ų53.936%0.36130%0.298SS..  trans-84.447.1179.600000113G51 L52 D55 P102G51-G104 WeakPolarHBondContact CA-O 3.41Å; L52-G104 PolarHBondContact N-O 3.31Å; D55-G104 PolarHBondContact OD2-N 3.36Å; P102-G104 PolarHBondContact O-N 3.2Å
105I93.8Very high93.1Very high0 Ų057 Ų570%032%0.317CS..EExtended strand (participates in β ladder)trans-135.2136.9-177.773.7-179.6000112.8M47 A50 L52 D55 A56 V59 K91 F103M47-I105 HydrophobicContact CE-CD1 4.41Å; A50-I105 VanDerWaalsContact O-CA 3.28Å; A50-I105 WeakPolarHBondContact O-CA 3.45Å; L52-I105 WeakPolarHBondContact O-CG2 3.43Å; D55-I105 HydrophobicContact CB-CG2 3.78Å; A56-I105 HydrophobicContact CB-CD1 4.13Å; A56-I105 HydrophobicContact CB-CG2 4.24Å; V59-I105 HydrophobicContact CB-CD1 3.94Å; V59-I105 HydrophobicContact CG1-CD1 4.3Å; V59-I105 HydrophobicContact CG2-CD1 3.75Å; K91-I105 PolarHBondContact NZ-O 2.96Å; F103-I105 HydrophobicContact CB-CG1 4.36Å; F103-I105 PolarHBondContact O-N 3.05Å
106S94.3Very high92.8Very high27 Ų2754.4 Ų54.419%0.18930%0.303CS..EExtended strand (participates in β ladder)trans-102.3146.1159.3-61.10000108.4F49 A50 T123 D124 P125F49-S106 WeakPolarHBondContact CA-O 3.49Å; A50-S106 PolarHBondContact N-O 2.75Å; A50-S106 PolarHBondContact O-N 3.42Å; S106-T123 VanDerWaalsContact CA-O 3.28Å; S106-T123 WeakPolarHBondContact CA-O 3.18Å; S106-D124 PolarHBondContact OG-OD1 2.94Å; S106-P125 WeakPolarHBondContact OG-CD 3.49Å
107A95.7Very high92.7Very high0 Ų051.6 Ų51.60%029%0.292CS..EExtended strand (participates in β ladder)trans-135.4140.7-179.100000112.1M47 A48 F49 Q122 T123M47-A107 HydrophobicContact CE-CB 3.24Å; M47-A107 HydrophobicContact CG-CB 4.1Å; M47-A107 HydrophobicContact SD-CB 4.44Å; A48-A107 CarbonylContact O-C 3.51Å; A48-A107 VanDerWaalsContact O-CA 3.26Å; A48-A107 WeakPolarHBondContact O-CA 3.45Å; F49-A107 HydrophobicContact CB-CB 4.37Å; A107-Q122 CarbonylContact O-C 3.55Å; A107-Q122 VanDerWaalsContact O-CA 3.27Å; A107-Q122 WeakPolarHBondContact O-CA 3.28Å; A107-T123 PolarHBondContact N-O 3.14Å; A107-T123 PolarHBondContact O-N 3.19Å
108L97.2Very high92.7Very high0 Ų049.7 Ų49.70%028%0.279CS..EExtended strand (participates in β ladder)trans-96.3125164-62.9179.5000107.7K8 L19 M47 A48 L120 Y121 Q122 N135 I137K8-L108 HydrophobicContact CB-CD1 4.3Å; L19-L108 HydrophobicContact CD2-CB 4.06Å; L19-L108 HydrophobicContact CD2-CD1 4.31Å; M47-L108 CarbonylContact C-O 3.52Å; M47-L108 WeakPolarHBondContact CA-O 3.33Å; A48-L108 PolarHBondContact N-O 3.47Å; A48-L108 PolarHBondContact O-N 3.49Å; L108-L120 HydrophobicContact CB-CD1 4.33Å; L108-L120 HydrophobicContact CD2-CD1 4.36Å; L108-Y121 CarbonylContact C-O 3.56Å; L108-Y121 WeakPolarHBondContact CA-O 3.29Å; L108-Q122 HydrophobicContact CD2-CB 3.74Å; L108-Q122 HydrophobicContact CD2-CG 3.93Å; L108-N135 HydrophobicContact CD2-CB 4.26Å; L108-I137 HydrophobicContact CD1-CD1 4.48Å; L108-I137 HydrophobicContact CD1-CG1 4.09Å; L108-I137 HydrophobicContact CD2-CG2 3.92Å; L108-I137 HydrophobicContact CG-CD1 3.89Å; L108-I137 HydrophobicContact CG-CG1 3.96Å; L108-I137 HydrophobicContact CG-CG2 4.19Å
109I97.2Very high92.8Very high0 Ų043.9 Ų43.90%024%0.244CC..EExtended strand (participates in β ladder)trans-116.7127.1178.8-57.2161.8000106.4V45 C46 M47 V80 I83 T84 I87 L120 Y121 T123V45-I109 HydrophobicContact CG1-CG2 3.91Å; C46-I109 WeakPolarHBondContact O-CA 3.49Å; M47-I109 HydrophobicContact CG-CG1 4.19Å; V80-I109 HydrophobicContact CG1-CG2 4.06Å; I83-I109 HydrophobicContact CG2-CG2 4.4Å; T84-I109 HydrophobicContact CG2-CD1 4.1Å; T84-I109 WeakPolarHBondContact OG1-CD1 3.44Å; I87-I109 HydrophobicContact CD1-CD1 3.64Å; I87-I109 HydrophobicContact CD1-CG1 4.46Å; I109-L120 WeakPolarHBondContact O-CA 3.4Å; I109-Y121 PolarHBondContact N-O 3.38Å; I109-Y121 PolarHBondContact O-N 3.35Å; I109-T123 HydrophobicContact CD1-CG2 3.81Å
110V96.8Very high93Very high2 Ų239.6 Ų39.61%0.01220%0.2CC..EExtended strand (participates in β ladder)trans-131154.1-177.4-60.80000110.6V17 L19 V45 C46 R119 L120 I187V17-V110 HydrophobicContact CB-CB 4.44Å; V17-V110 HydrophobicContact CG1-CB 3.95Å; V17-V110 HydrophobicContact CG1-CG2 4.09Å; V17-V110 HydrophobicContact CG2-CB 3.61Å; V17-V110 HydrophobicContact CG2-CG1 3.65Å; V17-V110 HydrophobicContact CG2-CG2 4.35Å; L19-V110 HydrophobicContact CD1-CB 4.41Å; L19-V110 HydrophobicContact CD1-CG1 4.24Å; L19-V110 HydrophobicContact CD1-CG2 3.34Å; L19-V110 HydrophobicContact CD2-CG1 3.83Å; L19-V110 HydrophobicContact CD2-CG2 4.43Å; L19-V110 HydrophobicContact CG-CB 4.45Å; L19-V110 HydrophobicContact CG-CG1 3.93Å; L19-V110 HydrophobicContact CG-CG2 3.68Å; V45-V110 WeakPolarHBondContact CA-O 3.36Å; C46-V110 HydrophobicContact CB-CG2 4.01Å; C46-V110 PolarHBondContact N-O 2.91Å; C46-V110 PolarHBondContact O-N 3Å; V110-R119 VanDerWaalsContact CA-O 3.29Å; V110-R119 WeakPolarHBondContact CA-O 3.12Å; V110-L120 HydrophobicContact CG1-CB 4.3Å; V110-L120 HydrophobicContact CG1-CD1 3.37Å; V110-L120 HydrophobicContact CG1-CG 4.41Å; V110-I187 HydrophobicContact CG2-CD1 4.27Å
111G95.1Very high93.3Very high0 Ų033 Ų330%018%0.175CC..EExtended strand (participates in β ladder)trans173.9-168.4171.500000112H44 S118 R119H44-G111 WeakPolarHBondContact O-CA 3.24Å; G111-S118 WeakPolarHBondContact O-CA 3.26Å; G111-R119 PolarHBondContact N-O 3.08Å; G111-R119 VanDerWaalsContact N-O 3.14Å; G111-R119 PolarHBondContact O-N 2.74Å
112F94.3Very high93.4Very high10 Ų1026.8 Ų26.84%0.04415%0.153CC..EExtended strand (participates in β ladder)trans-121.4136.6170.6-73.3-96.1000108N15 V17 H44 G116 I187 R189N15-F112 WeakPolarHBondContact O-CZ 3.37Å; V17-F112 HydrophobicContact CB-CE2 4.42Å; V17-F112 HydrophobicContact CG1-CD2 4.42Å; V17-F112 HydrophobicContact CG1-CE2 3.89Å; H44-F112 PolarHBondContact CD2-O 3.12Å; H44-F112 PolarHBondContact O-N 3.49Å; F112-G116 WeakPolarHBondContact CD1-O 3.07Å; F112-I187 HydrophobicContact CD2-CB 4.41Å; F112-I187 HydrophobicContact CD2-CG2 3.62Å; F112-I187 HydrophobicContact CE2-CB 4.25Å; F112-I187 HydrophobicContact CE2-CG2 3.83Å; F112-I187 WeakPolarHBondContact CE2-O 3.49Å; F112-R189 HydrophobicContact CD1-CB 4.25Å; F112-R189 HydrophobicContact CD1-CG 4.44Å; F112-R189 HydrophobicContact CE1-CB 4.06Å
113D90.9Very high93.6Very high12 Ų1223.7 Ų23.76%0.06413%0.132CC..  trans-91.2177.6164.1-54.5-14.3000109.2T79 V80 D115 G116 R119T79-D113 WeakPolarHBondContact CA-OD1 3.4Å; T79-D113 WeakPolarHBondContact CB-OD2 3.36Å; T79-D113 HydrophobicContact CG2-CB 4.49Å; V80-D113 VanDerWaalsContact CG2-OD1 3.25Å; V80-D113 WeakPolarHBondContact CG2-OD1 3.34Å; V80-D113 PolarHBondContact N-OD1 3.14Å; D113-D115 PolarHBondContact O-N 3.39Å; D113-D115 VanDerWaalsContact O-N 3.14Å; D113-G116 WeakPolarHBondContact O-CA 3.48Å; D113-G116 PolarHBondContact O-N 3.28Å; D113-R119 VanDerWaalsContact CG-CZ 3.46Å; D113-R119 IonicContact OD1-NH1 3.84Å; D113-R119 WeakPolarHBondContact OD2-CD 3.34Å; D113-R119 IonicContact OD2-CZ 3.99Å; D113-R119 IonicContact OD2-NE 3.87Å; D113-R119 PolarHBondContact OD2-NE 3.41Å; D113-R119 IonicContact OD2-NH1 2.81Å; D113-R119 PolarHBondContact OD2-NH1 2.87Å; D113-R119 IonicContact OD2-NH2 3.12Å; D113-R119 PolarHBondContact OD2-NH2 3.25Å
114D86.4Confident93.6Very high111 Ų11125.1 Ų25.159%0.59414%0.14SC*.THydrogen-bonded Turntrans-60.1-26.7-175.4-58.8-35.3000113.6G116D114-G116 PolarHBondContact O-N 2.76Å
115D87.9Confident93.6Very high103 Ų10325.6 Ų25.655%0.55114%0.137SC*.THydrogen-bonded Turntrans-59.4-16.7171.8-50.9-41000112.9D113 I117 R119D113-D115 PolarHBondContact O-N 3.39Å; D113-D115 VanDerWaalsContact O-N 3.14Å; D115-I117 VanDerWaalsContact C-N 3.27Å; D115-I117 HydrophobicContact CB-CD1 4.19Å; D115-I117 HydrophobicContact CB-CG1 4.13Å; D115-I117 PolarHBondContact O-N 2.94Å; D115-R119 IonicContact OD2-CZ 2.98Å; D115-R119 IonicContact OD2-NH1 2.7Å; D115-R119 IonicContact OD2-NH2 2.73Å; D115-R119 PolarHBondContact OD2-NH2 3.28Å; D115-R119 VanDerWaalsContact OD2-NH2 3.12Å
116G85.7Confident93.5Very high8 Ų828.7 Ų28.78%0.08216%0.159CC..  trans78.98.8-174.800000114.3F112 D113 D114F112-G116 WeakPolarHBondContact CD1-O 3.07Å; D113-G116 WeakPolarHBondContact O-CA 3.48Å; D113-G116 PolarHBondContact O-N 3.28Å; D114-G116 PolarHBondContact O-N 2.76Å
117I89.8Confident93.3Very high91 Ų9128.1 Ų28.147%0.46716%0.157SC..  trans-85.3125.5177.4-59.3172.9000109D115 R119D115-I117 VanDerWaalsContact C-N 3.27Å; D115-I117 HydrophobicContact CB-CD1 4.19Å; D115-I117 HydrophobicContact CB-CG1 4.13Å; D115-I117 PolarHBondContact O-N 2.94Å; I117-R119 PolarHBondContact O-NH1 2.87Å
118S92.9Very high93.3Very high5 Ų531 Ų314%0.03518%0.175CC..EExtended strand (participates in β ladder)trans-66.1135.7172.149.50000110.5R12 G13 G111R12-S118 WeakPolarHBondContact CD-O 3.35Å; R12-S118 VanDerWaalsContact CD-OG 3.24Å; R12-S118 WeakPolarHBondContact CD-OG 3.21Å; R12-S118 WeakPolarHBondContact CG-OG 3.29Å; R12-S118 PolarHBondContact NH1-O 3.2Å; G13-S118 PolarHBondContact O-OG 2.81Å; G111-S118 WeakPolarHBondContact O-CA 3.26Å
119R95.5Very high93.3Very high43 Ų4334.3 Ų34.316%0.16219%0.188CC..EExtended strand (participates in β ladder)trans-126139.3179.8-73.2179.6173.987.5-18.6109.8V80 V110 G111 D113 D115 I117 Y121V80-R119 HydrophobicContact CB-CB 3.96Å; V80-R119 HydrophobicContact CG1-CB 3.96Å; V80-R119 HydrophobicContact CG2-CB 4.31Å; V110-R119 VanDerWaalsContact CA-O 3.29Å; V110-R119 WeakPolarHBondContact CA-O 3.12Å; G111-R119 PolarHBondContact N-O 3.08Å; G111-R119 VanDerWaalsContact N-O 3.14Å; G111-R119 PolarHBondContact O-N 2.74Å; D113-R119 VanDerWaalsContact CG-CZ 3.46Å; D113-R119 IonicContact OD1-NH1 3.84Å; D113-R119 WeakPolarHBondContact OD2-CD 3.34Å; D113-R119 IonicContact OD2-CZ 3.99Å; D113-R119 IonicContact OD2-NE 3.87Å; D113-R119 PolarHBondContact OD2-NE 3.41Å; D113-R119 IonicContact OD2-NH1 2.81Å; D113-R119 PolarHBondContact OD2-NH1 2.87Å; D113-R119 IonicContact OD2-NH2 3.12Å; D113-R119 PolarHBondContact OD2-NH2 3.25Å; D115-R119 IonicContact OD2-CZ 2.98Å; D115-R119 IonicContact OD2-NH1 2.7Å; D115-R119 IonicContact OD2-NH2 2.73Å; D115-R119 PolarHBondContact OD2-NH2 3.28Å; D115-R119 VanDerWaalsContact OD2-NH2 3.12Å; I117-R119 PolarHBondContact O-NH1 2.87Å; R119-Y121 HydrophobicContact CB-CD2 4.32Å; R119-Y121 HydrophobicContact CB-CE2 3.97Å; R119-Y121 HydrophobicContact CG-CE2 4.35Å
120L96.9Very high93.3Very high2 Ų238.9 Ų38.91%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-132.4118.2174.5167.167.7000107.5G10 L108 I109 V110 W132 N135G10-L120 WeakPolarHBondContact O-CD2 3.33Å; L108-L120 HydrophobicContact CB-CD1 4.33Å; L108-L120 HydrophobicContact CD2-CD1 4.36Å; I109-L120 WeakPolarHBondContact O-CA 3.4Å; V110-L120 HydrophobicContact CG1-CB 4.3Å; V110-L120 HydrophobicContact CG1-CD1 3.37Å; V110-L120 HydrophobicContact CG1-CG 4.41Å; L120-W132 HydrophobicContact CD2-CB 4.01Å; L120-W132 HydrophobicContact CG-CB 4.16Å; L120-W132 PolarHBondContact O-N 2.84Å; L120-N135 HydrophobicContact CD2-CB 4.35Å
121Y97.9Very high93.3Very high22 Ų2242 Ų429%0.08624%0.235CC..EExtended strand (participates in β ladder)trans-119.2153175.2-74.3-92.6000110.6V80 E81 T84 L108 I109 R119 Y129 H130 A131V80-Y121 HydrophobicContact CG1-CD2 3.79Å; V80-Y121 HydrophobicContact CG1-CE2 4.25Å; E81-Y121 HydrophobicContact CB-CE2 4.16Å; E81-Y121 HydrophobicContact CG-CE1 4.2Å; E81-Y121 PolarHBondContact OE2-OH 3.33Å; T84-Y121 HydrophobicContact CG2-CD1 4.01Å; T84-Y121 HydrophobicContact CG2-CG 3.9Å; L108-Y121 CarbonylContact C-O 3.56Å; L108-Y121 WeakPolarHBondContact CA-O 3.29Å; I109-Y121 PolarHBondContact N-O 3.38Å; I109-Y121 PolarHBondContact O-N 3.35Å; R119-Y121 HydrophobicContact CB-CD2 4.32Å; R119-Y121 HydrophobicContact CB-CE2 3.97Å; R119-Y121 HydrophobicContact CG-CE2 4.35Å; Y121-Y129 AromaticContact CD1-CD2 3.8Å; Y121-Y129 HydrophobicContact CD1-CD2 3.8Å; Y121-Y129 HydrophobicContact CD1-CE2 4.32Å; Y121-Y129 HydrophobicContact CE1-CD2 4.06Å; Y121-Y129 HydrophobicContact CE1-CE2 4.11Å; Y121-H130 WeakPolarHBondContact CA-O 3.38Å; Y121-H130 WeakPolarHBondContact CD1-O 3.49Å; Y121-A131 HydrophobicContact CD1-CB 4.02Å; Y121-A131 HydrophobicContact CE1-CB 3.63Å
122Q96.9Very high93.3Very high15 Ų1546.1 Ų46.17%0.0725%0.251CS..EExtended strand (participates in β ladder)trans-125135.3172.4174.1-105.7-26.800108.9A107 L108 D124 Y129 H130 N135 I137A107-Q122 CarbonylContact O-C 3.55Å; A107-Q122 VanDerWaalsContact O-CA 3.27Å; A107-Q122 WeakPolarHBondContact O-CA 3.28Å; L108-Q122 HydrophobicContact CD2-CB 3.74Å; L108-Q122 HydrophobicContact CD2-CG 3.93Å; Q122-D124 PolarHBondContact NE2-OD1 3.01Å; Q122-D124 PolarHBondContact NE2-OD2 3.24Å; Q122-Y129 WeakPolarHBondContact O-CA 3.49Å; Q122-H130 PolarHBondContact N-O 2.93Å; Q122-H130 PolarHBondContact O-N 2.85Å; Q122-N135 WeakPolarHBondContact CB-ND2 3.21Å; Q122-N135 WeakPolarHBondContact CG-ND2 3.47Å; Q122-I137 HydrophobicContact CG-CG2 4.06Å
123T96.6Very high93.3Very high0 Ų052.1 Ų52.10%028%0.277CS..EExtended strand (participates in β ladder)trans-117.4139.5176.561.80000110.4T84 I87 K91 S106 A107 I109 T128T84-T123 HydrophobicContact CG2-CG2 3.61Å; I87-T123 HydrophobicContact CG2-CG2 4.36Å; K91-T123 PolarHBondContact NZ-O 3.29Å; K91-T123 PolarHBondContact NZ-OG1 2.85Å; S106-T123 VanDerWaalsContact CA-O 3.28Å; S106-T123 WeakPolarHBondContact CA-O 3.18Å; A107-T123 PolarHBondContact N-O 3.14Å; A107-T123 PolarHBondContact O-N 3.19Å; I109-T123 HydrophobicContact CD1-CG2 3.81Å; T123-T128 WeakPolarHBondContact CA-O 3.47Å
124D92.8Very high93.6Very high41 Ų4152.3 Ų52.322%0.21928%0.28CS..  trans-105.2160.3178.2-77.2-48.3000113.1K91 S106 Q122 S126 G127 T128K91-D124 WeakPolarHBondContact CD-O 3.35Å; S106-D124 PolarHBondContact OG-OD1 2.94Å; Q122-D124 PolarHBondContact NE2-OD1 3.01Å; Q122-D124 PolarHBondContact NE2-OD2 3.24Å; D124-S126 WeakPolarHBondContact CB-OG 3.45Å; D124-S126 PolarHBondContact O-N 3.09Å; D124-S126 VanDerWaalsContact O-N 3.16Å; D124-G127 PolarHBondContact O-N 3.23Å; D124-T128 PolarHBondContact N-O 2.96Å
125P91.3Very high94Very high46 Ų4647.1 Ų47.130%0.29925%0.252SS..THydrogen-bonded Turntrans-54.5-26.5173.1-28.536.3000114.2F103 S106 G127F103-P125 WeakPolarHBondContact O-CB 2.92Å; S106-P125 WeakPolarHBondContact OG-CD 3.49Å; P125-G127 PolarHBondContact O-N 2.88Å
126S90.4Very high94.4Very high65 Ų6542.2 Ų42.246%0.45523%0.226SC..THydrogen-bonded Turntrans-64.8-18.4174.851.10000113.5D124 T128D124-S126 WeakPolarHBondContact CB-OG 3.45Å; D124-S126 PolarHBondContact O-N 3.09Å; D124-S126 VanDerWaalsContact O-N 3.16Å; S126-T128 PolarHBondContact OG-N 2.82Å; S126-T128 PolarHBondContact OG-OG1 2.84Å
127G91.5Very high94.7Very high14 Ų1442.4 Ų42.414%0.14423%0.225CC..SBendtrans82.617.3-171.400000113.9A88 D124 P125A88-G127 WeakPolarHBondContact CB-O 3.46Å; A88-G127 VanDerWaalsContact O-CA 3.26Å; A88-G127 WeakPolarHBondContact O-CA 3.31Å; D124-G127 PolarHBondContact O-N 3.23Å; P125-G127 PolarHBondContact O-N 2.88Å
128T95Very high94.7Very high62 Ų6239.3 Ų39.338%0.3822%0.216SC..  trans-87.8152.9166.952.40000110.6T123 D124 S126T123-T128 WeakPolarHBondContact CA-O 3.47Å; D124-T128 PolarHBondContact N-O 2.96Å; S126-T128 PolarHBondContact OG-N 2.82Å; S126-T128 PolarHBondContact OG-OG1 2.84Å
129Y96.9Very high94.4Very high68 Ų6848.4 Ų48.427%0.26725%0.249SC..EExtended strand (participates in β ladder)trans-141147.417473.7-84000111.6E81 T84 R85 A88 Y121 Q122E81-Y129 HydrophobicContact CG-CE2 4.3Å; T84-Y129 HydrophobicContact CG2-CD2 3.58Å; T84-Y129 HydrophobicContact CG2-CE2 4.43Å; T84-Y129 HydrophobicContact CG2-CG 3.74Å; R85-Y129 HydrophobicContact CB-CE1 4.17Å; R85-Y129 HydrophobicContact CG-CE1 4.02Å; R85-Y129 PolarHBondContact NE-OH 3.42Å; A88-Y129 HydrophobicContact CB-CD1 3.73Å; A88-Y129 HydrophobicContact CB-CG 4.34Å; Y121-Y129 AromaticContact CD1-CD2 3.8Å; Y121-Y129 HydrophobicContact CD1-CD2 3.8Å; Y121-Y129 HydrophobicContact CD1-CE2 4.32Å; Y121-Y129 HydrophobicContact CE1-CD2 4.06Å; Y121-Y129 HydrophobicContact CE1-CE2 4.11Å; Q122-Y129 WeakPolarHBondContact O-CA 3.49Å
130H96.9Very high94Very high97 Ų9748.1 Ų48.145%0.44925%0.254SS..EExtended strand (participates in β ladder)trans-139.9147-178.9-58.7-65.3000110.7Y121 Q122Y121-H130 WeakPolarHBondContact CA-O 3.38Å; Y121-H130 WeakPolarHBondContact CD1-O 3.49Å; Q122-H130 PolarHBondContact N-O 2.93Å; Q122-H130 PolarHBondContact O-N 2.85Å
131A96.9Very high93.7Very high68 Ų6848.6 Ų48.656%0.56226%0.258SS*.EExtended strand (participates in β ladder)trans-84.7140.8172.900000110.4Y121Y121-A131 HydrophobicContact CD1-CB 4.02Å; Y121-A131 HydrophobicContact CE1-CB 3.63Å
132W96.4Very high93.4Very high85 Ų8554.3 Ų54.332%0.32228%0.284SS..  trans-134151.6-177-65.987.2000111.7L120 N135L120-W132 HydrophobicContact CD2-CB 4.01Å; L120-W132 HydrophobicContact CG-CB 4.16Å; L120-W132 PolarHBondContact O-N 2.84Å; W132-N135 HydrophobicContact CB-CB 3.86Å; W132-N135 HydrophobicContact CD2-CB 3.91Å; W132-N135 VanDerWaalsContact CE2-ND2 3.32Å; W132-N135 HydrophobicContact CE3-CB 4.18Å; W132-N135 HydrophobicContact CG-CB 3.75Å; W132-N135 PolarHBondContact NE1-ND2 2.81Å
133K94.4Very high93.2Very high136 Ų13657.3 Ų57.359%0.59130%0.303SS*.SBendtrans-82.1-49.2168.2-68.1-175.8179.7-177.80110.9R12 Y152R12-K133 WeakPolarHBondContact CB-O 3.41Å; R12-K133 PolarHBondContact N-O 2.84Å; K133-Y152 HydrophobicContact CB-CE1 3.94Å; K133-Y152 HydrophobicContact CB-CE2 4.36Å; K133-Y152 HydrophobicContact CD-CE1 4.09Å
134A95.6Very high93Very high16 Ų1657.3 Ų57.313%0.13230%0.303CS..EExtended strand (participates in β ladder)trans-140.2147.2166.500000108G10 I11 L148 Y152G10-A134 CarbonylContact O-C 3.58Å; G10-A134 VanDerWaalsContact O-CA 3.26Å; G10-A134 WeakPolarHBondContact O-CA 3.16Å; I11-A134 HydrophobicContact CG1-CB 4.33Å; A134-L148 HydrophobicContact CB-CD1 4.18Å; A134-L148 HydrophobicContact CB-CD2 4.34Å; A134-Y152 HydrophobicContact CB-CD2 3.62Å; A134-Y152 HydrophobicContact CB-CE2 3.85Å; A134-Y152 HydrophobicContact CB-CG 4.46Å
135N96.3Very high93.1Very high2 Ų259 Ų591%0.01131%0.306CS..EExtended strand (participates in β ladder)trans-152.1159177.5-160.310.3000111.3V9 G10 L108 L120 Q122 W132V9-N135 WeakPolarHBondContact CA-O 3.2Å; G10-N135 PolarHBondContact N-O 2.82Å; G10-N135 PolarHBondContact O-N 2.89Å; L108-N135 HydrophobicContact CD2-CB 4.26Å; L120-N135 HydrophobicContact CD2-CB 4.35Å; Q122-N135 WeakPolarHBondContact CB-ND2 3.21Å; Q122-N135 WeakPolarHBondContact CG-ND2 3.47Å; W132-N135 HydrophobicContact CB-CB 3.86Å; W132-N135 HydrophobicContact CD2-CB 3.91Å; W132-N135 VanDerWaalsContact CE2-ND2 3.32Å; W132-N135 HydrophobicContact CE3-CB 4.18Å; W132-N135 HydrophobicContact CG-CB 3.75Å; W132-N135 PolarHBondContact NE1-ND2 2.81Å
136A94.8Very high93.3Very high1 Ų160.9 Ų60.91%0.00831%0.311CS..EExtended strand (participates in β ladder)trans-131.8144173.900000110.9K8 V9 A141 V144K8-A136 CarbonylContact O-C 3.53Å; K8-A136 WeakPolarHBondContact O-CA 3.26Å; V9-A136 HydrophobicContact CG2-CB 4.15Å; A136-A141 HydrophobicContact CB-CB 4.38Å; A136-V144 HydrophobicContact CB-CB 3.79Å; A136-V144 HydrophobicContact CB-CG1 3.68Å
137I93.8Very high93.5Very high12 Ų1259.3 Ų59.36%0.06230%0.296CS..EExtended strand (participates in β ladder)trans-130.4143.3172.663.5170.3000109.8K8 A50 L108 Q122K8-I137 HydrophobicContact CB-CD1 4.45Å; K8-I137 HydrophobicContact CB-CG1 3.8Å; K8-I137 HydrophobicContact CD-CG1 4.23Å; K8-I137 PolarHBondContact N-O 2.77Å; K8-I137 PolarHBondContact O-N 3.04Å; A50-I137 HydrophobicContact CB-CB 4.46Å; A50-I137 HydrophobicContact CB-CD1 3.72Å; A50-I137 HydrophobicContact CB-CG1 3.99Å; L108-I137 HydrophobicContact CD1-CD1 4.48Å; L108-I137 HydrophobicContact CD1-CG1 4.09Å; L108-I137 HydrophobicContact CD2-CG2 3.92Å; L108-I137 HydrophobicContact CG-CD1 3.89Å; L108-I137 HydrophobicContact CG-CG1 3.96Å; L108-I137 HydrophobicContact CG-CG2 4.19Å; Q122-I137 HydrophobicContact CG-CG2 4.06Å
138G89.1Confident93.6Very high26 Ų2659 Ų5927%0.26829%0.291SS..SBendtrans144.8-163.3-17400000112.6
139R86.6Confident93.6Very high195 Ų19562.7 Ų62.774%0.73630%0.304SS*.SBendtrans-73.8-41.6-178.7-177.9178.9-178.9-178.70.4112E7E7-R139 WeakPolarHBondContact OE1-CA 3.1Å; E7-R139 PolarHBondContact OE1-N 3.25Å
140S87.9Confident93.4Very high37 Ų3767.3 Ų67.326%0.25933%0.325SS..SBendtrans-110.121-173.5-56.80000112E7 K142 T143 V144E7-S140 PolarHBondContact OE1-N 3.17Å; S140-K142 PolarHBondContact O-N 3.24Å; S140-T143 PolarHBondContact O-N 2.81Å; S140-V144 PolarHBondContact O-N 2.89Å
141A89.9Confident93.2Very high12 Ų1265.8 Ų65.810%0.09932%0.32CS..Hα-helixtrans-54.6-29.6-176.800000113.6E7 A136 R145E7-A141 WeakPolarHBondContact OE2-CA 3.45Å; E7-A141 PolarHBondContact OE2-N 3.23Å; E7-A141 VanDerWaalsContact OE2-N 3.11Å; A136-A141 HydrophobicContact CB-CB 4.38Å; A141-R145 VanDerWaalsContact O-CB 3.3Å; A141-R145 WeakPolarHBondContact O-CB 3.5Å; A141-R145 PolarHBondContact O-N 2.91Å
142K91.5Very high93Very high143 Ų14364.9 Ų64.962%0.62230%0.303SS*.Hα-helixtrans-62-50.8175.9-177.2179169.5-178.80111.6S140 V144 R145 E146S140-K142 PolarHBondContact O-N 3.24Å; K142-V144 VanDerWaalsContact C-N 3.33Å; K142-V144 PolarHBondContact O-N 3.45Å; K142-R145 PolarHBondContact O-N 2.69Å; K142-E146 WeakPolarHBondContact CE-OE1 3.42Å; K142-E146 WeakPolarHBondContact O-CG 3.38Å; K142-E146 PolarHBondContact O-N 2.84Å
143T92.2Very high92.8Very high77 Ų7764.1 Ų64.147%0.47231%0.308SS..Hα-helixtrans-61.2-43.3179.3-52.10000111.3S140 R145 E146 F147S140-T143 PolarHBondContact O-N 2.81Å; T143-R145 VanDerWaalsContact C-N 3.33Å; T143-R145 PolarHBondContact O-N 2.84Å; T143-E146 PolarHBondContact O-N 2.81Å; T143-F147 PolarHBondContact O-N 3.02Å
144V93.6Very high92.4Very high0 Ų065.6 Ų65.60%032%0.317CS..Hα-helixtrans-65.8-37.7178.4-174.60000111.3E7 V9 A136 S140 K142 F147 L148 A170 V174E7-V144 HydrophobicContact CG-CG2 4.41Å; V9-V144 HydrophobicContact CG2-CG1 3.65Å; A136-V144 HydrophobicContact CB-CB 3.79Å; A136-V144 HydrophobicContact CB-CG1 3.68Å; S140-V144 PolarHBondContact O-N 2.89Å; K142-V144 VanDerWaalsContact C-N 3.33Å; K142-V144 PolarHBondContact O-N 3.45Å; V144-F147 WeakPolarHBondContact O-CB 3.41Å; V144-F147 PolarHBondContact O-N 3.1Å; V144-L148 HydrophobicContact CG1-CD1 4.07Å; V144-L148 HydrophobicContact CG1-CG 4.41Å; V144-L148 VanDerWaalsContact O-CG 3.29Å; V144-L148 WeakPolarHBondContact O-CG 3.46Å; V144-L148 PolarHBondContact O-N 2.81Å; V144-A170 HydrophobicContact CG1-CB 4.04Å; V144-V174 HydrophobicContact CG2-CG2 3.49Å; V144-V174 VanDerWaalsContact CG2-CG2 3.49Å
145R93.9Very high91.9Very high77 Ų7770.9 Ų70.929%0.29134%0.342SS..Hα-helixtrans-65.9-44.7176.8-165.1-179-54.9108.56.2112A141 K142 T143 F147 L148 E149A141-R145 VanDerWaalsContact O-CB 3.3Å; A141-R145 WeakPolarHBondContact O-CB 3.5Å; A141-R145 PolarHBondContact O-N 2.91Å; K142-R145 PolarHBondContact O-N 2.69Å; T143-R145 VanDerWaalsContact C-N 3.33Å; T143-R145 PolarHBondContact O-N 2.84Å; R145-F147 PolarHBondContact O-N 2.92Å; R145-L148 PolarHBondContact O-N 3.12Å; R145-L148 VanDerWaalsContact O-N 3.1Å; R145-E149 WeakPolarHBondContact O-CG 3.17Å; R145-E149 PolarHBondContact O-N 3.07Å
146E94.8Very high91.2Very high85 Ų8571.7 Ų71.740%0.39735%0.349SS..Hα-helixtrans-60.5-34.3175-70.8172.1-169.400112.1K142 T143 K150K142-E146 WeakPolarHBondContact CE-OE1 3.42Å; K142-E146 WeakPolarHBondContact O-CG 3.38Å; K142-E146 PolarHBondContact O-N 2.84Å; T143-E146 PolarHBondContact O-N 2.81Å; E146-K150 WeakPolarHBondContact O-CG 3.41Å
147F94.6Very high90.8Very high33 Ų3372.8 Ų72.815%0.14536%0.355CS..Hα-helixtrans-67.2-47.8171.5175.4-89.2000111.8T143 V144 R145 E149 K150 N151 L166 K169 A170 E173T143-F147 PolarHBondContact O-N 3.02Å; V144-F147 WeakPolarHBondContact O-CB 3.41Å; V144-F147 PolarHBondContact O-N 3.1Å; R145-F147 PolarHBondContact O-N 2.92Å; F147-E149 VanDerWaalsContact C-N 3.33Å; F147-E149 PolarHBondContact O-N 2.83Å; F147-K150 PolarHBondContact O-N 3.25Å; F147-N151 VanDerWaalsContact CD2-ND2 3.34Å; F147-N151 WeakPolarHBondContact CD2-ND2 3.16Å; F147-N151 HydrophobicContact CE1-CB 4.18Å; F147-N151 WeakPolarHBondContact CE2-ND2 3.37Å; F147-N151 HydrophobicContact CZ-CB 4.27Å; F147-N151 WeakPolarHBondContact CZ-ND2 3.43Å; F147-N151 PolarHBondContact O-N 3.42Å; F147-N151 VanDerWaalsContact O-N 3.17Å; F147-N151 PolarHBondContact O-ND2 3.2Å; F147-L166 HydrophobicContact CE1-CD1 4.26Å; F147-K169 HydrophobicContact CE1-CB 4.25Å; F147-K169 HydrophobicContact CZ-CB 3.92Å; F147-A170 HydrophobicContact CD1-CB 3.79Å; F147-A170 HydrophobicContact CE1-CB 3.85Å; F147-E173 HydrophobicContact CB-CG 4.47Å; F147-E173 HydrophobicContact CD1-CG 4.48Å; F147-E173 HydrophobicContact CD2-CG 3.58Å; F147-E173 HydrophobicContact CE2-CG 3.87Å; F147-E173 HydrophobicContact CG-CG 3.92Å; F147-E173 HydrophobicContact CZ-CG 4.47Å
148L94.6Very high90.4Very high6 Ų675.1 Ų75.13%0.03138%0.376CS..Hα-helixtrans-63.6-38.3-179.7-71.9167.8000111.8V9 I11 A134 V144 R145 K150 N151 Y152 L166 A170V9-L148 HydrophobicContact CG1-CD1 4.12Å; I11-L148 HydrophobicContact CD1-CD2 3.74Å; I11-L148 HydrophobicContact CG1-CD2 4.29Å; A134-L148 HydrophobicContact CB-CD1 4.18Å; A134-L148 HydrophobicContact CB-CD2 4.34Å; V144-L148 HydrophobicContact CG1-CD1 4.07Å; V144-L148 HydrophobicContact CG1-CG 4.41Å; V144-L148 VanDerWaalsContact O-CG 3.29Å; V144-L148 WeakPolarHBondContact O-CG 3.46Å; V144-L148 PolarHBondContact O-N 2.81Å; R145-L148 PolarHBondContact O-N 3.12Å; R145-L148 VanDerWaalsContact O-N 3.1Å; L148-K150 PolarHBondContact O-N 3.01Å; L148-N151 PolarHBondContact O-N 3.28Å; L148-Y152 WeakPolarHBondContact O-CB 3.34Å; L148-Y152 PolarHBondContact O-N 3.14Å; L148-L166 HydrophobicContact CD2-CG 4.45Å; L148-A170 HydrophobicContact CD2-CB 3.86Å; L148-A170 HydrophobicContact CG-CB 4.28Å
149E94.3Very high90.4Very high141 Ų14176.1 Ų76.166%0.65938%0.379SS*.Hα-helixtrans-58.5-32.7176.6-76.5170.1-169.600112.9R145 F147R145-E149 WeakPolarHBondContact O-CG 3.17Å; R145-E149 PolarHBondContact O-N 3.07Å; F147-E149 VanDerWaalsContact C-N 3.33Å; F147-E149 PolarHBondContact O-N 2.83Å
150K93.8Very high90.6Very high165 Ų16568.9 Ų68.972%0.71736%0.355SS*.Hα-helixtrans-86.5-27.9179.7-65.4173.2-173.4172.20113.7E146 F147 L148E146-K150 WeakPolarHBondContact O-CG 3.41Å; F147-K150 PolarHBondContact O-N 3.25Å; L148-K150 PolarHBondContact O-N 3.01Å
151N92.5Very high90.7Very high64 Ų6469.3 Ų69.334%0.34236%0.358SS..Hα-helixtrans-111.3-9.6-169.4-65.2-77.4000114F147 L148 T153 A156 L166F147-N151 VanDerWaalsContact CD2-ND2 3.34Å; F147-N151 WeakPolarHBondContact CD2-ND2 3.16Å; F147-N151 HydrophobicContact CE1-CB 4.18Å; F147-N151 WeakPolarHBondContact CE2-ND2 3.37Å; F147-N151 HydrophobicContact CZ-CB 4.27Å; F147-N151 WeakPolarHBondContact CZ-ND2 3.43Å; F147-N151 PolarHBondContact O-N 3.42Å; F147-N151 VanDerWaalsContact O-N 3.17Å; F147-N151 PolarHBondContact O-ND2 3.2Å; L148-N151 PolarHBondContact O-N 3.28Å; N151-T153 PolarHBondContact O-N 2.98Å; N151-T153 VanDerWaalsContact O-N 3.09Å; N151-A156 WeakPolarHBondContact O-CB 3.25Å; N151-L166 HydrophobicContact CB-CD1 3.67Å
152Y92.3Very high90.8Very high50 Ų5072.7 Ų72.720%0.19637%0.372CS..  trans-79.387.8173.5-170-82000109.4I11 R12 K133 A134 L148 I157 L166I11-Y152 HydrophobicContact CG2-CD2 4.31Å; I11-Y152 HydrophobicContact CG2-CE2 4Å; R12-Y152 PolarHBondContact O-OH 3.14Å; K133-Y152 HydrophobicContact CB-CE1 3.94Å; K133-Y152 HydrophobicContact CB-CE2 4.36Å; K133-Y152 HydrophobicContact CD-CE1 4.09Å; A134-Y152 HydrophobicContact CB-CD2 3.62Å; A134-Y152 HydrophobicContact CB-CE2 3.85Å; A134-Y152 HydrophobicContact CB-CG 4.46Å; L148-Y152 WeakPolarHBondContact O-CB 3.34Å; L148-Y152 PolarHBondContact O-N 3.14Å; Y152-I157 HydrophobicContact CD2-CG2 4.05Å; Y152-I157 HydrophobicContact CE1-CD1 4.05Å; Y152-I157 HydrophobicContact CE1-CG2 4.35Å; Y152-I157 HydrophobicContact CE2-CG2 3.64Å; Y152-L166 HydrophobicContact CD2-CD2 4.17Å
153T92.1Very high90.9Very high69 Ų6965.9 Ų65.942%0.42334%0.342SS..  trans-111.2165.217459.90000110.7N151 D155 A156 I157N151-T153 PolarHBondContact O-N 2.98Å; N151-T153 VanDerWaalsContact O-N 3.09Å; T153-D155 VanDerWaalsContact C-N 3.29Å; T153-D155 PolarHBondContact O-N 2.89Å; T153-A156 PolarHBondContact O-N 2.91Å; T153-A156 VanDerWaalsContact O-N 3.13Å; T153-A156 WeakPolarHBondContact OG1-CB 3.47Å; T153-A156 PolarHBondContact OG1-N 3.12Å; T153-I157 WeakPolarHBondContact O-CG1 3.33Å; T153-I157 PolarHBondContact O-N 3.37Å
154E86.3Confident90.9Very high167 Ų16762.3 Ų62.378%0.7832%0.32SS*.Hα-helixtrans-59.6-40.4177.5-66.7-174.8174.700111.9A156 I157 A158E154-A156 VanDerWaalsContact C-N 3.32Å; E154-A156 PolarHBondContact O-N 2.86Å; E154-I157 VanDerWaalsContact O-CG1 3.23Å; E154-I157 WeakPolarHBondContact O-CG1 3.47Å; E154-I157 PolarHBondContact O-N 3.22Å; E154-A158 PolarHBondContact O-N 3.27Å
155D85.2Confident90.9Very high126 Ų12663.8 Ų63.867%0.67433%0.326SS*.Hα-helixtrans-61.5-41174.3-58.6-34.5000111.5T153 I157 A158T153-D155 VanDerWaalsContact C-N 3.29Å; T153-D155 PolarHBondContact O-N 2.89Å; D155-I157 PolarHBondContact O-N 3.37Å; D155-I157 VanDerWaalsContact O-N 3.12Å; D155-A158 PolarHBondContact O-N 2.66Å
156A81.3Confident90.9Very high19 Ų1960.5 Ų60.516%0.15732%0.315CS..Hα-helixtrans-69.1-11.7-178.500000114N151 T153 E154 E162 A163 L166N151-A156 WeakPolarHBondContact O-CB 3.25Å; T153-A156 PolarHBondContact O-N 2.91Å; T153-A156 VanDerWaalsContact O-N 3.13Å; T153-A156 WeakPolarHBondContact OG1-CB 3.47Å; T153-A156 PolarHBondContact OG1-N 3.12Å; E154-A156 VanDerWaalsContact C-N 3.32Å; E154-A156 PolarHBondContact O-N 2.86Å; A156-E162 CarbonylContact O-C 3.38Å; A156-A163 PolarHBondContact O-N 2.93Å; A156-L166 HydrophobicContact CB-CD2 4.18Å
157I86.4Confident90.8Very high24 Ų2456.5 Ų56.512%0.12330%0.296CS..Hα-helixtrans-118.6-1-179.766.7172.1000113.5T14 Y152 T153 E154 D155T14-I157 PolarHBondContact N-O 3.41Å; T14-I157 PolarHBondContact OG1-O 3.13Å; Y152-I157 HydrophobicContact CD2-CG2 4.05Å; Y152-I157 HydrophobicContact CE1-CD1 4.05Å; Y152-I157 HydrophobicContact CE1-CG2 4.35Å; Y152-I157 HydrophobicContact CE2-CG2 3.64Å; T153-I157 WeakPolarHBondContact O-CG1 3.33Å; T153-I157 PolarHBondContact O-N 3.37Å; E154-I157 VanDerWaalsContact O-CG1 3.23Å; E154-I157 WeakPolarHBondContact O-CG1 3.47Å; E154-I157 PolarHBondContact O-N 3.22Å; D155-I157 PolarHBondContact O-N 3.37Å; D155-I157 VanDerWaalsContact O-N 3.12Å
158A84.8Confident90.7Very high62 Ų6255 Ų5551%0.51229%0.289SS..Hα-helixtrans-68.9-46.5-176.700000111.4E154 D155E154-A158 PolarHBondContact O-N 3.27Å; D155-A158 PolarHBondContact O-N 2.66Å
159S90.5Very high90.6Very high47 Ų4757.1 Ų57.133%0.32930%0.299SS..SBendtrans-99.8145.8176.4-1770000112.9S161 E162 A163S159-S161 PolarHBondContact O-N 3.15Å; S159-S161 PolarHBondContact OG-N 3.2Å; S159-S161 PolarHBondContact OG-OG 3.46Å; S159-S161 VanDerWaalsContact OG-OG 3.04Å; S159-E162 WeakPolarHBondContact CB-OE2 3.5Å; S159-E162 PolarHBondContact N-OE2 2.85Å; S159-E162 PolarHBondContact O-N 2.81Å; S159-E162 VanDerWaalsContact O-N 3.13Å; S159-A163 PolarHBondContact O-N 2.98Å; S159-A163 VanDerWaalsContact O-N 3.09Å
160D90.4Very high90.6Very high43 Ų4350.4 Ų50.423%0.2327%0.267CS..Hα-helixtrans-52.7-41.7171.2-78.916.6000112.2I16 E162 I164 R188I16-D160 HydrophobicContact CD1-CB 4.03Å; D160-E162 VanDerWaalsContact C-N 3.35Å; D160-I164 WeakPolarHBondContact O-CD1 3.39Å; D160-I164 VanDerWaalsContact O-CG1 3.23Å; D160-I164 WeakPolarHBondContact O-CG1 3.4Å; D160-I164 PolarHBondContact O-N 3.34Å; D160-R188 WeakPolarHBondContact OD2-CD 3.28Å; D160-R188 IonicContact OD2-CZ 3.77Å; D160-R188 IonicContact OD2-NE 2.77Å; D160-R188 PolarHBondContact OD2-NE 3.02Å; D160-R188 IonicContact OD2-NH2 3.92Å
161S90.8Very high90.4Very high45 Ų4542.6 Ų42.632%0.31523%0.233SC..Hα-helixtrans-68-36-178.958.20000112.3S159 I164 K165S159-S161 PolarHBondContact O-N 3.15Å; S159-S161 PolarHBondContact OG-N 3.2Å; S159-S161 PolarHBondContact OG-OG 3.46Å; S159-S161 VanDerWaalsContact OG-OG 3.04Å; S161-I164 PolarHBondContact O-N 2.9Å; S161-K165 WeakPolarHBondContact O-CB 3.34Å; S161-K165 VanDerWaalsContact O-CG 3.31Å; S161-K165 WeakPolarHBondContact O-CG 3.22Å; S161-K165 PolarHBondContact O-N 3.46Å
162E91.1Very high90.3Very high84 Ų8441.2 Ų41.239%0.39323%0.225SC..Hα-helixtrans-73-40.9-178.4-69.8167.5153.500110.9A156 S159 D160 I164 K165 L166A156-E162 CarbonylContact O-C 3.38Å; S159-E162 WeakPolarHBondContact CB-OE2 3.5Å; S159-E162 PolarHBondContact N-OE2 2.85Å; S159-E162 PolarHBondContact O-N 2.81Å; S159-E162 VanDerWaalsContact O-N 3.13Å; D160-E162 VanDerWaalsContact C-N 3.35Å; E162-I164 VanDerWaalsContact C-N 3.31Å; E162-I164 PolarHBondContact O-N 2.82Å; E162-K165 PolarHBondContact O-N 3.3Å; E162-L166 WeakPolarHBondContact O-CB 3.35Å; E162-L166 PolarHBondContact O-N 3.5Å
163A92.7Very high90.1Very high0 Ų043.1 Ų43.10%024%0.236CC..Hα-helixtrans-60.8-40.8173.800000111.8I16 V18 A156 S159 L166 A167I16-A163 HydrophobicContact CG2-CB 3.79Å; V18-A163 HydrophobicContact CG2-CB 4.35Å; A156-A163 PolarHBondContact O-N 2.93Å; S159-A163 PolarHBondContact O-N 2.98Å; S159-A163 VanDerWaalsContact O-N 3.09Å; A163-L166 PolarHBondContact O-N 3.44Å; A163-A167 PolarHBondContact O-N 3.31Å; A163-A167 VanDerWaalsContact O-N 3.1Å
164I93.8Very high89.8Confident1 Ų141.5 Ų41.51%0.00523%0.226CC..Hα-helixtrans-64.5-46.8174.1-66.4163.5000110.5I16 V18 D160 S161 E162 L166 A167 I168 L184 I186 F196 Y204I16-I164 HydrophobicContact CD1-CD1 3.98Å; I16-I164 HydrophobicContact CD1-CG1 4.06Å; V18-I164 HydrophobicContact CG2-CG1 3.95Å; D160-I164 WeakPolarHBondContact O-CD1 3.39Å; D160-I164 VanDerWaalsContact O-CG1 3.23Å; D160-I164 WeakPolarHBondContact O-CG1 3.4Å; D160-I164 PolarHBondContact O-N 3.34Å; S161-I164 PolarHBondContact O-N 2.9Å; E162-I164 VanDerWaalsContact C-N 3.31Å; E162-I164 PolarHBondContact O-N 2.82Å; I164-L166 VanDerWaalsContact C-N 3.3Å; I164-L166 PolarHBondContact O-N 2.84Å; I164-A167 PolarHBondContact O-N 3.27Å; I164-I168 HydrophobicContact CG2-CD1 3.92Å; I164-I168 WeakPolarHBondContact O-CG1 3.42Å; I164-I168 PolarHBondContact O-N 2.85Å; I164-L184 HydrophobicContact CG2-CD1 4.16Å; I164-L184 HydrophobicContact CG2-CD2 4.23Å; I164-I186 HydrophobicContact CD1-CG2 4.25Å; I164-I186 HydrophobicContact CG1-CG2 4.12Å; I164-F196 HydrophobicContact CD1-CE1 4.5Å; I164-F196 HydrophobicContact CD1-CZ 3.88Å; I164-Y204 HydrophobicContact CG2-CD1 4.37Å; I164-Y204 HydrophobicContact CG2-CD2 4.43Å; I164-Y204 HydrophobicContact CG2-CE1 4.41Å; I164-Y204 HydrophobicContact CG2-CG 4.37Å
165K93Very high89.5Confident31 Ų3134 Ų3414%0.13519%0.191CC..Hα-helixtrans-60.1-39.9177.3-77180179.7-170.60111.7S161 E162 I168 K169 Y204 E207 I208 E211S161-K165 WeakPolarHBondContact O-CB 3.34Å; S161-K165 VanDerWaalsContact O-CG 3.31Å; S161-K165 WeakPolarHBondContact O-CG 3.22Å; S161-K165 PolarHBondContact O-N 3.46Å; E162-K165 PolarHBondContact O-N 3.3Å; K165-I168 PolarHBondContact O-N 3.13Å; K165-K169 WeakPolarHBondContact O-CB 3.5Å; K165-K169 VanDerWaalsContact O-CG 3.24Å; K165-K169 WeakPolarHBondContact O-CG 3.44Å; K165-K169 PolarHBondContact O-N 3.46Å; K165-Y204 HydrophobicContact CG-CD1 4.12Å; K165-E207 WeakPolarHBondContact CE-OE2 3.21Å; K165-E207 IonicContact NZ-OE2 3.29Å; K165-E207 PolarHBondContact NZ-OE2 2.74Å; K165-I208 HydrophobicContact CB-CD1 4.27Å; K165-I208 HydrophobicContact CB-CG1 4.39Å; K165-I208 HydrophobicContact CG-CD1 4.21Å; K165-I208 HydrophobicContact CG-CG1 4.12Å; K165-E211 IonicContact NZ-OE1 2.89Å; K165-E211 PolarHBondContact NZ-OE1 3.06Å
166L93.8Very high88.8Confident9 Ų937.1 Ų37.15%0.04720%0.202CC..Hα-helixtrans-63.1-42.5177-175.663.8000111.4I11 F147 L148 N151 Y152 A156 E162 A163 I164 K169 A170I11-L166 HydrophobicContact CD1-CB 3.97Å; I11-L166 HydrophobicContact CD1-CD2 3.84Å; I11-L166 HydrophobicContact CD1-CG 3.62Å; I11-L166 HydrophobicContact CG2-CD2 4.24Å; F147-L166 HydrophobicContact CE1-CD1 4.26Å; L148-L166 HydrophobicContact CD2-CG 4.45Å; N151-L166 HydrophobicContact CB-CD1 3.67Å; Y152-L166 HydrophobicContact CD2-CD2 4.17Å; A156-L166 HydrophobicContact CB-CD2 4.18Å; E162-L166 WeakPolarHBondContact O-CB 3.35Å; E162-L166 PolarHBondContact O-N 3.5Å; A163-L166 PolarHBondContact O-N 3.44Å; I164-L166 VanDerWaalsContact C-N 3.3Å; I164-L166 PolarHBondContact O-N 2.84Å; L166-K169 PolarHBondContact O-N 2.8Å; L166-A170 WeakPolarHBondContact O-CB 3.42Å; L166-A170 PolarHBondContact O-N 3.21Å
167A93.6Very high88Confident0 Ų040.1 Ų40.10%022%0.222CC..Hα-helixtrans-63.4-42.5177.300000111.9I11 V18 A163 I164 A170 L171I11-A167 VanDerWaalsContact CD1-CA 3.46Å; I11-A167 HydrophobicContact CD1-CB 3.79Å; I11-A167 HydrophobicContact CG1-CB 4.28Å; V18-A167 HydrophobicContact CB-CB 4.33Å; V18-A167 HydrophobicContact CG1-CB 3.63Å; A163-A167 PolarHBondContact O-N 3.31Å; A163-A167 VanDerWaalsContact O-N 3.1Å; I164-A167 PolarHBondContact O-N 3.27Å; A167-A170 PolarHBondContact O-N 2.85Å; A167-L171 WeakPolarHBondContact O-CG 3.26Å; A167-L171 PolarHBondContact O-N 3.16Å; A167-L171 VanDerWaalsContact O-N 3.13Å
168I92.5Very high87Confident1 Ų140 Ų401%0.00523%0.227CC..Hα-helixtrans-67.8-45.1176.9-64.1169.1000110.6I164 K165 A170 L171 L172 I182 L184 Y204 V205 I208I164-I168 HydrophobicContact CG2-CD1 3.92Å; I164-I168 WeakPolarHBondContact O-CG1 3.42Å; I164-I168 PolarHBondContact O-N 2.85Å; K165-I168 PolarHBondContact O-N 3.13Å; I168-A170 VanDerWaalsContact C-N 3.3Å; I168-A170 PolarHBondContact O-N 2.94Å; I168-L171 PolarHBondContact O-N 3.46Å; I168-L171 VanDerWaalsContact O-N 3.16Å; I168-L172 HydrophobicContact CG2-CD1 3.84Å; I168-L172 HydrophobicContact CG2-CG 4.17Å; I168-L172 WeakPolarHBondContact O-CG 3.36Å; I168-L172 PolarHBondContact O-N 3.19Å; I168-I182 HydrophobicContact CG2-CD1 4.36Å; I168-L184 HydrophobicContact CD1-CD1 4Å; I168-L184 HydrophobicContact CG1-CD1 3.56Å; I168-Y204 VanDerWaalsContact CD1-CB 3.45Å; I168-Y204 HydrophobicContact CD1-CG 4.11Å; I168-V205 HydrophobicContact CG2-CG2 3.73Å; I168-I208 HydrophobicContact CB-CD1 3.69Å; I168-I208 HydrophobicContact CD1-CD1 4.42Å; I168-I208 HydrophobicContact CG2-CD1 3.49Å; I168-I208 VanDerWaalsContact CG2-CD1 3.49Å
169K92.2Very high86.3Confident52 Ų5237.6 Ų37.623%0.22621%0.208CC..Hα-helixtrans-55.8-45.6175.7-76.3172.8-176.7175.50110.8F147 K165 L166 L171 L172 E173 I208 E211F147-K169 HydrophobicContact CE1-CB 4.25Å; F147-K169 HydrophobicContact CZ-CB 3.92Å; K165-K169 WeakPolarHBondContact O-CB 3.5Å; K165-K169 VanDerWaalsContact O-CG 3.24Å; K165-K169 WeakPolarHBondContact O-CG 3.44Å; K165-K169 PolarHBondContact O-N 3.46Å; L166-K169 PolarHBondContact O-N 2.8Å; K169-L171 PolarHBondContact O-N 3.32Å; K169-L172 PolarHBondContact O-N 2.89Å; K169-E173 PolarHBondContact O-N 3.32Å; K169-I208 HydrophobicContact CD-CG2 4.33Å; K169-I208 HydrophobicContact CG-CD1 4.18Å; K169-I208 HydrophobicContact CG-CG1 4.32Å; K169-I208 HydrophobicContact CG-CG2 3.65Å; K169-E211 IonicContact NZ-OE2 3.02Å; K169-E211 PolarHBondContact NZ-OE2 3.17Å
170A92.7Very high85.5Confident0 Ų042.9 Ų42.90%023%0.225CC..Hα-helixtrans-63-37.1178.300000113.4V9 V144 F147 L148 L166 A167 I168V9-A170 HydrophobicContact CG1-CB 4.31Å; V144-A170 HydrophobicContact CG1-CB 4.04Å; F147-A170 HydrophobicContact CD1-CB 3.79Å; F147-A170 HydrophobicContact CE1-CB 3.85Å; L148-A170 HydrophobicContact CD2-CB 3.86Å; L148-A170 HydrophobicContact CG-CB 4.28Å; L166-A170 WeakPolarHBondContact O-CB 3.42Å; L166-A170 PolarHBondContact O-N 3.21Å; A167-A170 PolarHBondContact O-N 2.85Å; I168-A170 VanDerWaalsContact C-N 3.3Å; I168-A170 PolarHBondContact O-N 2.94Å
171L90.8Very high85.2Confident1 Ų142 Ų421%0.00522%0.22CC..Hα-helixtrans-71.9-39.1174.9-74174.3000112.4E7 V9 A167 I168 K169 E173 V174 V175 I182E7-L171 HydrophobicContact CB-CD2 4.13Å; V9-L171 HydrophobicContact CB-CD2 4.35Å; V9-L171 HydrophobicContact CB-CG 4.48Å; V9-L171 HydrophobicContact CG2-CD2 3.67Å; V9-L171 HydrophobicContact CG2-CG 4.08Å; A167-L171 WeakPolarHBondContact O-CG 3.26Å; A167-L171 PolarHBondContact O-N 3.16Å; A167-L171 VanDerWaalsContact O-N 3.13Å; I168-L171 PolarHBondContact O-N 3.46Å; I168-L171 VanDerWaalsContact O-N 3.16Å; K169-L171 PolarHBondContact O-N 3.32Å; L171-E173 PolarHBondContact O-N 3.4Å; L171-V174 PolarHBondContact O-N 3.44Å; L171-V175 VanDerWaalsContact O-CG2 3.31Å; L171-V175 WeakPolarHBondContact O-CG2 3.3Å; L171-V175 PolarHBondContact O-N 3.01Å; L171-I182 HydrophobicContact CB-CD1 4.28Å; L171-I182 HydrophobicContact CD1-CG2 3.8Å
172L89.9Confident85.1Confident34 Ų3440.3 Ų40.318%0.17821%0.208CC..Hα-helixtrans-64.6-18.9179.7-72.6173.7000113.5I168 K169 V174 I182 V205 I208I168-L172 HydrophobicContact CG2-CD1 3.84Å; I168-L172 HydrophobicContact CG2-CG 4.17Å; I168-L172 WeakPolarHBondContact O-CG 3.36Å; I168-L172 PolarHBondContact O-N 3.19Å; K169-L172 PolarHBondContact O-N 2.89Å; L172-V174 PolarHBondContact O-N 3.06Å; L172-I182 HydrophobicContact CD2-CD1 4.03Å; L172-I182 HydrophobicContact CG-CD1 4.33Å; L172-V205 HydrophobicContact CD1-CG1 4.44Å; L172-I208 HydrophobicContact CD1-CG2 4.32Å
173E87.7Confident85Confident91 Ų9137.4 Ų37.443%0.42519%0.194SC..THydrogen-bonded Turntrans-65-22172.2-65.3-59.3129.300113F147 K169 L171 K212F147-E173 HydrophobicContact CB-CG 4.47Å; F147-E173 HydrophobicContact CD1-CG 4.48Å; F147-E173 HydrophobicContact CD2-CG 3.58Å; F147-E173 HydrophobicContact CE2-CG 3.87Å; F147-E173 HydrophobicContact CG-CG 3.92Å; F147-E173 HydrophobicContact CZ-CG 4.47Å; K169-E173 PolarHBondContact O-N 3.32Å; L171-E173 PolarHBondContact O-N 3.4Å; E173-K212 IonicContact OE1-NZ 2.94Å
174V85.5Confident85Confident35 Ų3537.5 Ų37.521%0.21220%0.195CC..THydrogen-bonded Turntrans-116.3-31.1-178.3-174.20000112E7 V144 L171 L172 Q176E7-V174 HydrophobicContact CG-CB 4.15Å; E7-V174 HydrophobicContact CG-CG1 3.86Å; E7-V174 HydrophobicContact CG-CG2 4.3Å; V144-V174 HydrophobicContact CG2-CG2 3.49Å; V144-V174 VanDerWaalsContact CG2-CG2 3.49Å; L171-V174 PolarHBondContact O-N 3.44Å; L172-V174 PolarHBondContact O-N 3.06Å; V174-Q176 PolarHBondContact O-N 3.48Å
175V81Confident85Confident8 Ų837.5 Ų37.55%0.04820%0.195CC..  trans-82111.8-176.1179.70000111.1E22 L171 S177 N181E22-V175 HydrophobicContact CB-CG2 4.13Å; E22-V175 HydrophobicContact CG-CG2 3.65Å; L171-V175 VanDerWaalsContact O-CG2 3.31Å; L171-V175 WeakPolarHBondContact O-CG2 3.3Å; L171-V175 PolarHBondContact O-N 3.01Å; V175-S177 PolarHBondContact O-N 3.36Å; V175-N181 HydrophobicContact CG1-CB 4.16Å
176Q69.8Low85Confident192 Ų19236.1 Ų36.190%0.89719%0.189SC*.THydrogen-bonded Turntrans-75.9-17.9-178.8-65.2-179-13.200114.6V174V174-Q176 PolarHBondContact O-N 3.48Å
177S64.8Low85Confident82 Ų8235.9 Ų35.957%0.57319%0.188SC*.THydrogen-bonded Turntrans-107.617-166.5-46.10000115.4V175 N181V175-S177 PolarHBondContact O-N 3.36Å; S177-N181 WeakPolarHBondContact CB-ND2 3.45Å
178G66Low85Confident23 Ų2339.3 Ų39.324%0.23720%0.201CC..G310 helixtrans68.4-164.8178.300000114.8K180G178-K180 VanDerWaalsContact C-N 3.3Å; G178-K180 PolarHBondContact O-N 3.18Å; G178-K180 VanDerWaalsContact O-N 3.15Å
179G69.3Low84.8Confident11 Ų1144.7 Ų44.711%0.11322%0.221CC..G310 helixtrans-62.9-19.5-167.400000117.4N181 I182G179-N181 PolarHBondContact O-N 3.43Å; G179-I182 PolarHBondContact O-N 3.05Å; G179-I182 VanDerWaalsContact O-N 3.17Å
180K75.1Confident84.5Confident157 Ų15749.4 Ų49.468%0.68325%0.249SC*.G310 helixtrans-66.4-23.5-176.8-67.4-177.5-178.7178.10114G178 E202G178-K180 VanDerWaalsContact C-N 3.3Å; G178-K180 PolarHBondContact O-N 3.18Å; G178-K180 VanDerWaalsContact O-N 3.15Å; K180-E202 WeakPolarHBondContact CE-OE1 3.5Å; K180-E202 WeakPolarHBondContact CG-OE1 3.42Å
181N83.9Confident84.3Confident24 Ų2454.2 Ų54.213%0.12827%0.271CS..G310 helixtrans-99.817.7-179.9-70.2-6.7000112.1E22 K23 V175 S177 G179E22-N181 CarbonylContact C-O 3.33Å; E22-N181 WeakPolarHBondContact CA-O 3.39Å; K23-N181 PolarHBondContact N-O 3.35Å; K23-N181 VanDerWaalsContact O-CB 3.29Å; K23-N181 WeakPolarHBondContact O-CB 3.33Å; V175-N181 HydrophobicContact CG1-CB 4.16Å; S177-N181 WeakPolarHBondContact CB-ND2 3.45Å; G179-N181 PolarHBondContact O-N 3.43Å
182I88.3Confident84.1Confident10 Ų1058.7 Ų58.75%0.05130%0.3CS..EExtended strand (participates in β ladder)trans-113.5123.9179.3-61.7176.9000109.1I168 L171 L172 G179 V201I168-I182 HydrophobicContact CG2-CD1 4.36Å; L171-I182 HydrophobicContact CB-CD1 4.28Å; L171-I182 HydrophobicContact CD1-CG2 3.8Å; L172-I182 HydrophobicContact CD2-CD1 4.03Å; L172-I182 HydrophobicContact CG-CD1 4.33Å; G179-I182 PolarHBondContact O-N 3.05Å; G179-I182 VanDerWaalsContact O-N 3.17Å; I182-V201 HydrophobicContact CB-CG1 4.01Å; I182-V201 HydrophobicContact CG2-CG1 3.99Å
183E89.4Confident84.1Confident24 Ų2459.2 Ų59.211%0.11230%0.303CS..EExtended strand (participates in β ladder)trans-105.6127.5167.1-174.7176.1-174.200107.9V21 I38 M195V21-E183 PolarHBondContact N-O 3.42Å; V21-E183 PolarHBondContact O-N 3.35Å; I38-E183 HydrophobicContact CD1-CG 4.25Å; E183-M195 HydrophobicContact CG-CE 3.8Å; E183-M195 WeakPolarHBondContact OE1-CE 3.25Å
184L92.3Very high84.3Confident1 Ų159.1 Ų59.11%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-127.6136-176.8-163.2142000110.2V18 I164 I168 I186 F196 V201V18-L184 HydrophobicContact CG1-CD1 4.15Å; V18-L184 HydrophobicContact CG1-CD2 3.96Å; V18-L184 HydrophobicContact CG1-CG 4.04Å; I164-L184 HydrophobicContact CG2-CD1 4.16Å; I164-L184 HydrophobicContact CG2-CD2 4.23Å; I168-L184 HydrophobicContact CD1-CD1 4Å; I168-L184 HydrophobicContact CG1-CD1 3.56Å; L184-I186 HydrophobicContact CD2-CG2 3.64Å; L184-F196 HydrophobicContact CB-CB 4.36Å; L184-F196 HydrophobicContact CD2-CD1 4.34Å; L184-F196 HydrophobicContact CD2-CD2 3.77Å; L184-F196 HydrophobicContact CD2-CE1 4.47Å; L184-F196 HydrophobicContact CD2-CE2 3.96Å; L184-F196 HydrophobicContact CD2-CG 4Å; L184-F196 HydrophobicContact CD2-CZ 4.31Å; L184-F196 PolarHBondContact O-N 2.96Å; L184-V201 HydrophobicContact CB-CG2 4.24Å
185A93.2Very high84.5Confident1 Ų159.6 Ų59.61%0.00830%0.302CS..EExtended strand (participates in β ladder)trans-132.8141.2176.300000110L19 I38 L193 K194 M195L19-A185 PolarHBondContact N-O 3.28Å; L19-A185 PolarHBondContact O-N 3.06Å; I38-A185 HydrophobicContact CD1-CB 3.6Å; I38-A185 HydrophobicContact CG2-CB 3.81Å; A185-L193 HydrophobicContact CB-CD1 3.86Å; A185-K194 WeakPolarHBondContact CA-O 3.48Å; A185-M195 HydrophobicContact CB-CE 4.09Å; A185-M195 HydrophobicContact CB-SD 3.4Å; A185-M195 WeakPolarHBondContact CB-SD 3.43Å
186I94.3Very high85Confident2 Ų260.4 Ų60.41%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-125.7147.7176.572.5176000110I16 V17 V18 I164 L184 R188 K194 F196I16-I186 HydrophobicContact CD1-CB 3.96Å; I16-I186 HydrophobicContact CD1-CD1 3.96Å; I16-I186 HydrophobicContact CD1-CG2 4.01Å; I16-I186 HydrophobicContact CG1-CB 4.17Å; V17-I186 WeakPolarHBondContact O-CA 3.39Å; V18-I186 HydrophobicContact CG1-CG2 4.25Å; V18-I186 HydrophobicContact CG2-CG2 4.06Å; I164-I186 HydrophobicContact CD1-CG2 4.25Å; I164-I186 HydrophobicContact CG1-CG2 4.12Å; L184-I186 HydrophobicContact CD2-CG2 3.64Å; I186-R188 HydrophobicContact CD1-CG 4.33Å; I186-K194 HydrophobicContact CG1-CB 4.05Å; I186-K194 PolarHBondContact N-O 3.34Å; I186-K194 PolarHBondContact O-N 3.03Å; I186-F196 HydrophobicContact CB-CE2 4.29Å; I186-F196 HydrophobicContact CD1-CE2 3.59Å; I186-F196 HydrophobicContact CD1-CZ 3.97Å; I186-F196 HydrophobicContact CG1-CE2 3.73Å; I186-F196 HydrophobicContact CG2-CD2 4.39Å; I186-F196 HydrophobicContact CG2-CE2 3.66Å; I186-F196 HydrophobicContact CG2-CZ 4.26Å
187I93.6Very high85.8Confident4 Ų454 Ų542%0.02128%0.281CS..EExtended strand (participates in β ladder)trans-118.4131.9160.5-60.7168000105.7I16 V17 C46 V110 F112 L193I16-I187 WeakPolarHBondContact CA-O 3.41Å; V17-I187 HydrophobicContact CG1-CB 3.83Å; V17-I187 PolarHBondContact N-O 3.43Å; V17-I187 PolarHBondContact O-N 3.32Å; C46-I187 HydrophobicContact CB-CD1 3.58Å; V110-I187 HydrophobicContact CG2-CD1 4.27Å; F112-I187 HydrophobicContact CD2-CB 4.41Å; F112-I187 HydrophobicContact CD2-CG2 3.62Å; F112-I187 HydrophobicContact CE2-CB 4.25Å; F112-I187 HydrophobicContact CE2-CG2 3.83Å; F112-I187 WeakPolarHBondContact CE2-O 3.49Å; I187-L193 HydrophobicContact CD1-CD1 4.16Å; I187-L193 HydrophobicContact CG1-CB 4.27Å; I187-L193 HydrophobicContact CG1-CD1 3.65Å
188R92.8Very high86.7Confident72 Ų7253.2 Ų53.227%0.27228%0.279SS..EExtended strand (participates in β ladder)trans-105.7160168.6-64.6-174.1179.5111.4-1.3108.9I16 D160 I186 N190 Q191I16-R188 HydrophobicContact CD1-CG 4.38Å; I16-R188 HydrophobicContact CG1-CG 4.26Å; D160-R188 WeakPolarHBondContact OD2-CD 3.28Å; D160-R188 IonicContact OD2-CZ 3.77Å; D160-R188 IonicContact OD2-NE 2.77Å; D160-R188 PolarHBondContact OD2-NE 3.02Å; D160-R188 IonicContact OD2-NH2 3.92Å; I186-R188 HydrophobicContact CD1-CG 4.33Å; R188-N190 PolarHBondContact O-N 2.71Å; R188-Q191 HydrophobicContact CB-CB 4.14Å; R188-Q191 HydrophobicContact CB-CG 4.33Å; R188-Q191 PolarHBondContact O-N 2.73Å; R188-Q191 VanDerWaalsContact O-N 3.08Å
189R88.8Confident87.7Confident114 Ų11460 Ų6043%0.4330%0.302SS..THydrogen-bonded Turntrans-52.3127.6173.7-170.1177-178.6172.36.5110.3N15 F112 Q191N15-R189 PolarHBondContact O-N 3.11Å; N15-R189 VanDerWaalsContact O-N 3.17Å; F112-R189 HydrophobicContact CD1-CB 4.25Å; F112-R189 HydrophobicContact CD1-CG 4.44Å; F112-R189 HydrophobicContact CE1-CB 4.06Å; R189-Q191 PolarHBondContact O-N 3.28Å; R189-Q191 VanDerWaalsContact O-N 3.16Å
190N85.1Confident88.7Confident152 Ų15262 Ų6281%0.81331%0.309SS*.THydrogen-bonded Turntrans5821.7179.1-54.2-15.1000115.2R188R188-N190 PolarHBondContact O-N 2.71Å
191Q88.4Confident89.4Confident100 Ų10054.7 Ų54.747%0.46728%0.277SS..SBendtrans-123.4144.2173.9-64-175.13.900110.2R188 R189R188-Q191 HydrophobicContact CB-CB 4.14Å; R188-Q191 HydrophobicContact CB-CG 4.33Å; R188-Q191 PolarHBondContact O-N 2.73Å; R188-Q191 VanDerWaalsContact O-N 3.08Å; R189-Q191 PolarHBondContact O-N 3.28Å; R189-Q191 VanDerWaalsContact O-N 3.16Å
192P87.1Confident89.5Confident96 Ų9657.1 Ų57.162%0.62329%0.288SS*.PPolyproline II helixtrans-66.7163.4176.430.1-35.7000110.9K194P192-K194 PolarHBondContact O-N 3.04Å; P192-K194 VanDerWaalsContact O-N 3.15Å
193L90Very high89.7Confident45 Ų4561.7 Ų61.724%0.23631%0.312CS..PPolyproline II helixtrans-50.4119173.9-179.769.8000111.6A40 C46 A185 I187 M195A40-L193 HydrophobicContact CB-CD2 4.03Å; C46-L193 HydrophobicContact CB-CD1 4.08Å; C46-L193 HydrophobicContact CB-CD2 4.49Å; A185-L193 HydrophobicContact CB-CD1 3.86Å; I187-L193 HydrophobicContact CD1-CD1 4.16Å; I187-L193 HydrophobicContact CG1-CB 4.27Å; I187-L193 HydrophobicContact CG1-CD1 3.65Å; L193-M195 HydrophobicContact CD2-SD 4.17Å; L193-M195 HydrophobicContact CG-SD 4.37Å
194K91.4Very high89.7Confident88 Ų8863.2 Ų63.238%0.38332%0.317SS..EExtended strand (participates in β ladder)trans-103.8117.3169.8-175.6-178174.6-167.70109.8A185 I186 P192 E200A185-K194 WeakPolarHBondContact CA-O 3.48Å; I186-K194 HydrophobicContact CG1-CB 4.05Å; I186-K194 PolarHBondContact N-O 3.34Å; I186-K194 PolarHBondContact O-N 3.03Å; P192-K194 PolarHBondContact O-N 3.04Å; P192-K194 VanDerWaalsContact O-N 3.15Å; K194-E200 IonicContact NZ-OE1 2.82Å; K194-E200 PolarHBondContact NZ-OE1 3.2Å
195M90.4Very high89.6Confident46 Ų4663.4 Ų63.423%0.22732%0.318CS..EExtended strand (participates in β ladder)trans-83.9134.9167.8-60-64.2-59.700109.4I38 E183 A185 L193I38-M195 HydrophobicContact CB-CE 4.22Å; I38-M195 HydrophobicContact CB-SD 4.45Å; I38-M195 HydrophobicContact CD1-CE 4.17Å; I38-M195 HydrophobicContact CG2-SD 4.13Å; E183-M195 HydrophobicContact CG-CE 3.8Å; E183-M195 WeakPolarHBondContact OE1-CE 3.25Å; A185-M195 HydrophobicContact CB-CE 4.09Å; A185-M195 HydrophobicContact CB-SD 3.4Å; A185-M195 WeakPolarHBondContact CB-SD 3.43Å; L193-M195 HydrophobicContact CD2-SD 4.17Å; L193-M195 HydrophobicContact CG-SD 4.37Å
196F90.3Very high89.4Confident24 Ų2466.2 Ų66.211%0.10534%0.336CS..PPolyproline II helixtrans-80.5143.6176.7-81.8-126.2000110.7I164 L184 I186 E200 V201 Y204I164-F196 HydrophobicContact CD1-CE1 4.5Å; I164-F196 HydrophobicContact CD1-CZ 3.88Å; L184-F196 HydrophobicContact CB-CB 4.36Å; L184-F196 HydrophobicContact CD2-CD1 4.34Å; L184-F196 HydrophobicContact CD2-CD2 3.77Å; L184-F196 HydrophobicContact CD2-CE1 4.47Å; L184-F196 HydrophobicContact CD2-CE2 3.96Å; L184-F196 HydrophobicContact CD2-CG 4Å; L184-F196 HydrophobicContact CD2-CZ 4.31Å; L184-F196 PolarHBondContact O-N 2.96Å; I186-F196 HydrophobicContact CB-CE2 4.29Å; I186-F196 HydrophobicContact CD1-CE2 3.59Å; I186-F196 HydrophobicContact CD1-CZ 3.97Å; I186-F196 HydrophobicContact CG1-CE2 3.73Å; I186-F196 HydrophobicContact CG2-CD2 4.39Å; I186-F196 HydrophobicContact CG2-CE2 3.66Å; I186-F196 HydrophobicContact CG2-CZ 4.26Å; F196-E200 HydrophobicContact CB-CB 4.48Å; F196-E200 HydrophobicContact CD1-CB 3.69Å; F196-E200 HydrophobicContact CE1-CB 4.38Å; F196-E200 HydrophobicContact CG-CB 4.45Å; F196-V201 HydrophobicContact CB-CG2 3.8Å; F196-Y204 HydrophobicContact CD1-CE2 4.44Å; F196-Y204 HydrophobicContact CE1-CD2 4.26Å; F196-Y204 AromaticContact CE1-CE2 3.71Å; F196-Y204 HydrophobicContact CE1-CE2 3.71Å
197S87.4Confident89.2Confident57 Ų5770.1 Ų70.140%0.39935%0.354SS..PPolyproline II helixtrans-75.6154.3166.964.80000110.6K199 E200 V201S197-K199 PolarHBondContact O-N 2.7Å; S197-K199 VanDerWaalsContact O-N 3.15Å; S197-E200 PolarHBondContact N-OE2 2.86Å; S197-E200 PolarHBondContact O-N 2.94Å; S197-E200 VanDerWaalsContact O-N 3.08Å; S197-E200 WeakPolarHBondContact OG-CG 3.44Å; S197-E200 PolarHBondContact OG-N 3.14Å; S197-E200 PolarHBondContact OG-OE2 3Å; S197-V201 PolarHBondContact O-N 2.95Å; S197-V201 VanDerWaalsContact O-N 3.13Å
198A83.9Confident89Confident66 Ų6670 Ų7055%0.54535%0.353SS..Hα-helixtrans-55.3-34.5177.300000112.5V201 E202A198-V201 PolarHBondContact O-N 3.03Å; A198-E202 WeakPolarHBondContact O-CG 3.4Å; A198-E202 PolarHBondContact O-N 3.02Å
199K86.7Confident88.7Confident165 Ų16571.1 Ų71.172%0.71736%0.361SS*.Hα-helixtrans-65.5-44.6177-64.2-176.1-179.3-178.90112.4S197 V201 E202 L203S197-K199 PolarHBondContact O-N 2.7Å; S197-K199 VanDerWaalsContact O-N 3.15Å; K199-V201 VanDerWaalsContact C-N 3.32Å; K199-V201 PolarHBondContact O-N 2.86Å; K199-E202 PolarHBondContact O-N 3.42Å; K199-L203 WeakPolarHBondContact O-CG 3.31Å; K199-L203 PolarHBondContact O-N 3.43Å; K199-L203 VanDerWaalsContact O-N 3.08Å
200E89.5Confident88.7Confident55 Ų5572 Ų7226%0.25737%0.368SS..Hα-helixtrans-61.7-43.7176.9-72.5165.2129.500110.2K194 F196 S197 L203 Y204K194-E200 IonicContact NZ-OE1 2.82Å; K194-E200 PolarHBondContact NZ-OE1 3.2Å; F196-E200 HydrophobicContact CB-CB 4.48Å; F196-E200 HydrophobicContact CD1-CB 3.69Å; F196-E200 HydrophobicContact CE1-CB 4.38Å; F196-E200 HydrophobicContact CG-CB 4.45Å; S197-E200 PolarHBondContact N-OE2 2.86Å; S197-E200 PolarHBondContact O-N 2.94Å; S197-E200 VanDerWaalsContact O-N 3.08Å; S197-E200 WeakPolarHBondContact OG-CG 3.44Å; S197-E200 PolarHBondContact OG-N 3.14Å; S197-E200 PolarHBondContact OG-OE2 3Å; E200-L203 PolarHBondContact O-N 2.88Å; E200-Y204 WeakPolarHBondContact O-CD2 3.19Å; E200-Y204 PolarHBondContact O-N 3Å
201V89.6Confident88.8Confident2 Ų268.1 Ų68.11%0.01235%0.345CS..Hα-helixtrans-62.4-44.2177.3179.80000111.5I182 L184 F196 S197 A198 K199 L203 Y204 V205I182-V201 HydrophobicContact CB-CG1 4.01Å; I182-V201 HydrophobicContact CG2-CG1 3.99Å; L184-V201 HydrophobicContact CB-CG2 4.24Å; F196-V201 HydrophobicContact CB-CG2 3.8Å; S197-V201 PolarHBondContact O-N 2.95Å; S197-V201 VanDerWaalsContact O-N 3.13Å; A198-V201 PolarHBondContact O-N 3.03Å; K199-V201 VanDerWaalsContact C-N 3.32Å; K199-V201 PolarHBondContact O-N 2.86Å; V201-L203 VanDerWaalsContact C-N 3.32Å; V201-L203 PolarHBondContact O-N 3.4Å; V201-Y204 PolarHBondContact O-N 3.38Å; V201-V205 HydrophobicContact CG1-CG2 4.32Å; V201-V205 WeakPolarHBondContact O-CG2 3.29Å; V201-V205 PolarHBondContact O-N 2.86Å
202E88Confident88.6Confident75 Ų7567.3 Ų67.335%0.3534%0.34SS..Hα-helixtrans-59.5-40.4177.1-80178.1168.500112.2K180 A198 K199 Y204 V205 T206K180-E202 WeakPolarHBondContact CE-OE1 3.5Å; K180-E202 WeakPolarHBondContact CG-OE1 3.42Å; A198-E202 WeakPolarHBondContact O-CG 3.4Å; A198-E202 PolarHBondContact O-N 3.02Å; K199-E202 PolarHBondContact O-N 3.42Å; E202-Y204 PolarHBondContact O-N 3.29Å; E202-V205 PolarHBondContact O-N 2.88Å; E202-T206 WeakPolarHBondContact O-CG2 3.27Å; E202-T206 PolarHBondContact O-N 3.44Å; E202-T206 PolarHBondContact O-OG1 2.84Å
203L90.7Very high88.4Confident107 Ų10767.5 Ų67.556%0.5633%0.333SS*.Hα-helixtrans-57.9-50.5175.5-69.3170.8000111.4K199 E200 V201 V205 T206 E207K199-L203 WeakPolarHBondContact O-CG 3.31Å; K199-L203 PolarHBondContact O-N 3.43Å; K199-L203 VanDerWaalsContact O-N 3.08Å; E200-L203 PolarHBondContact O-N 2.88Å; V201-L203 VanDerWaalsContact C-N 3.32Å; V201-L203 PolarHBondContact O-N 3.4Å; L203-V205 VanDerWaalsContact C-N 3.32Å; L203-V205 PolarHBondContact O-N 2.84Å; L203-T206 PolarHBondContact O-N 3.41Å; L203-T206 PolarHBondContact O-OG1 2.9Å; L203-E207 PolarHBondContact O-N 2.75Å
204Y90.9Very high88.2Confident55 Ų5570.5 Ų70.522%0.21635%0.346CS..Hα-helixtrans-61.7-38.8177.4-77.2-75.8000112.6I164 K165 I168 F196 E200 V201 E202 E207 I208I164-Y204 HydrophobicContact CG2-CD1 4.37Å; I164-Y204 HydrophobicContact CG2-CD2 4.43Å; I164-Y204 HydrophobicContact CG2-CE1 4.41Å; I164-Y204 HydrophobicContact CG2-CG 4.37Å; K165-Y204 HydrophobicContact CG-CD1 4.12Å; I168-Y204 VanDerWaalsContact CD1-CB 3.45Å; I168-Y204 HydrophobicContact CD1-CG 4.11Å; F196-Y204 HydrophobicContact CD1-CE2 4.44Å; F196-Y204 HydrophobicContact CE1-CD2 4.26Å; F196-Y204 AromaticContact CE1-CE2 3.71Å; F196-Y204 HydrophobicContact CE1-CE2 3.71Å; E200-Y204 WeakPolarHBondContact O-CD2 3.19Å; E200-Y204 PolarHBondContact O-N 3Å; V201-Y204 PolarHBondContact O-N 3.38Å; E202-Y204 PolarHBondContact O-N 3.29Å; Y204-E207 PolarHBondContact O-N 3.36Å; Y204-I208 WeakPolarHBondContact O-CB 3.45Å; Y204-I208 WeakPolarHBondContact O-CD1 3.38Å; Y204-I208 WeakPolarHBondContact O-CG1 3.38Å; Y204-I208 PolarHBondContact O-N 2.88Å
205V89.6Confident87.7Confident6 Ų668.5 Ų68.54%0.03635%0.346CS..Hα-helixtrans-62.5-45.1176.9172.50000110.8I168 L172 V201 E202 L203 E207 I208 E209I168-V205 HydrophobicContact CG2-CG2 3.73Å; L172-V205 HydrophobicContact CD1-CG1 4.44Å; V201-V205 HydrophobicContact CG1-CG2 4.32Å; V201-V205 WeakPolarHBondContact O-CG2 3.29Å; V201-V205 PolarHBondContact O-N 2.86Å; E202-V205 PolarHBondContact O-N 2.88Å; L203-V205 VanDerWaalsContact C-N 3.32Å; L203-V205 PolarHBondContact O-N 2.84Å; V205-E207 VanDerWaalsContact C-N 3.33Å; V205-E207 PolarHBondContact O-N 2.78Å; V205-I208 PolarHBondContact O-N 3.03Å; V205-E209 HydrophobicContact CG1-CG 4.49Å; V205-E209 WeakPolarHBondContact O-CG 3.42Å; V205-E209 PolarHBondContact O-N 3.03Å
206T89.3Confident87.2Confident60 Ų6072.7 Ų72.737%0.36837%0.365SS..Hα-helixtrans-65.3-35177.962.70000113E202 L203 K210E202-T206 WeakPolarHBondContact O-CG2 3.27Å; E202-T206 PolarHBondContact O-N 3.44Å; E202-T206 PolarHBondContact O-OG1 2.84Å; L203-T206 PolarHBondContact O-N 3.41Å; L203-T206 PolarHBondContact O-OG1 2.9Å; T206-K210 VanDerWaalsContact O-CG 3.3Å; T206-K210 WeakPolarHBondContact O-CG 3.01Å; T206-K210 PolarHBondContact O-N 2.68Å; T206-K210 VanDerWaalsContact O-N 3.13Å
207E89.8Confident86.7Confident83 Ų8377.2 Ų77.239%0.38838%0.384SS..Hα-helixtrans-63.6-43.9172.3-72.1-178.6-166.500111.4K165 L203 Y204 V205 K210 E211K165-E207 WeakPolarHBondContact CE-OE2 3.21Å; K165-E207 IonicContact NZ-OE2 3.29Å; K165-E207 PolarHBondContact NZ-OE2 2.74Å; L203-E207 PolarHBondContact O-N 2.75Å; Y204-E207 PolarHBondContact O-N 3.36Å; V205-E207 VanDerWaalsContact C-N 3.33Å; V205-E207 PolarHBondContact O-N 2.78Å; E207-K210 PolarHBondContact O-N 3Å; E207-E211 WeakPolarHBondContact O-CG 3.34Å; E207-E211 PolarHBondContact O-N 3.47Å
208I88.9Confident86.1Confident1 Ų181 Ų811%0.00539%0.393CS..Hα-helixtrans-64.3-41.2179.5-69.8163.1000111.4K165 I168 K169 L172 Y204 V205 E211 K212K165-I208 HydrophobicContact CB-CD1 4.27Å; K165-I208 HydrophobicContact CB-CG1 4.39Å; K165-I208 HydrophobicContact CG-CD1 4.21Å; K165-I208 HydrophobicContact CG-CG1 4.12Å; I168-I208 HydrophobicContact CB-CD1 3.69Å; I168-I208 HydrophobicContact CD1-CD1 4.42Å; I168-I208 HydrophobicContact CG2-CD1 3.49Å; I168-I208 VanDerWaalsContact CG2-CD1 3.49Å; K169-I208 HydrophobicContact CD-CG2 4.33Å; K169-I208 HydrophobicContact CG-CD1 4.18Å; K169-I208 HydrophobicContact CG-CG1 4.32Å; K169-I208 HydrophobicContact CG-CG2 3.65Å; L172-I208 HydrophobicContact CD1-CG2 4.32Å; Y204-I208 WeakPolarHBondContact O-CB 3.45Å; Y204-I208 WeakPolarHBondContact O-CD1 3.38Å; Y204-I208 WeakPolarHBondContact O-CG1 3.38Å; Y204-I208 PolarHBondContact O-N 2.88Å; V205-I208 PolarHBondContact O-N 3.03Å; I208-E211 PolarHBondContact O-N 3.1Å; I208-K212 HydrophobicContact CG2-CD 4.47Å; I208-K212 WeakPolarHBondContact O-CB 3.28Å; I208-K212 WeakPolarHBondContact O-CG 3.41Å; I208-K212 PolarHBondContact O-N 3.25Å
209E86.8Confident85.5Confident96 Ų9685.3 Ų85.345%0.44940%0.4SS..Hα-helixtrans-63.3-44.4176.7-73.4175172.700111.3V205 K212 E213V205-E209 HydrophobicContact CG1-CG 4.49Å; V205-E209 WeakPolarHBondContact O-CG 3.42Å; V205-E209 PolarHBondContact O-N 3.03Å; E209-K212 PolarHBondContact O-N 3.44Å; E209-E213 PolarHBondContact O-N 2.88Å
210K88.7Confident84.4Confident132 Ų13280.6 Ų80.657%0.57439%0.388SS*.Hα-helixtrans-61.2-45.3174.6-70.8172.8-173.9177.30112.3T206 E207 K212 E213 E214T206-K210 VanDerWaalsContact O-CG 3.3Å; T206-K210 WeakPolarHBondContact O-CG 3.01Å; T206-K210 PolarHBondContact O-N 2.68Å; T206-K210 VanDerWaalsContact O-N 3.13Å; E207-K210 PolarHBondContact O-N 3Å; K210-K212 VanDerWaalsContact C-N 3.31Å; K210-K212 PolarHBondContact O-N 3.38Å; K210-E213 PolarHBondContact O-N 3.25Å; K210-E214 WeakPolarHBondContact O-CG 3.33Å; K210-E214 PolarHBondContact O-N 3.36Å
211E87.2Confident82.9Confident72 Ų7286 Ų8634%0.33641%0.411SS..Hα-helixtrans-59.3-41.6175.8-76.5173.4-164.900111.8K165 K169 E207 I208 E214 A215K165-E211 IonicContact NZ-OE1 2.89Å; K165-E211 PolarHBondContact NZ-OE1 3.06Å; K169-E211 IonicContact NZ-OE2 3.02Å; K169-E211 PolarHBondContact NZ-OE2 3.17Å; E207-E211 WeakPolarHBondContact O-CG 3.34Å; E207-E211 PolarHBondContact O-N 3.47Å; I208-E211 PolarHBondContact O-N 3.1Å; E211-E214 PolarHBondContact O-N 3.46Å; E211-A215 WeakPolarHBondContact O-CB 3.48Å; E211-A215 PolarHBondContact O-N 2.87Å
212K83.6Confident81.3Confident82 Ų8294.9 Ų94.936%0.35745%0.449SS..Hα-helixtrans-64-47.6177.1-78.9-173.9174.2-167.50111.1E173 I208 E209 K210 E214 A215 E216E173-K212 IonicContact OE1-NZ 2.94Å; I208-K212 HydrophobicContact CG2-CD 4.47Å; I208-K212 WeakPolarHBondContact O-CB 3.28Å; I208-K212 WeakPolarHBondContact O-CG 3.41Å; I208-K212 PolarHBondContact O-N 3.25Å; E209-K212 PolarHBondContact O-N 3.44Å; K210-K212 VanDerWaalsContact C-N 3.31Å; K210-K212 PolarHBondContact O-N 3.38Å; K212-E214 VanDerWaalsContact C-N 3.34Å; K212-E214 PolarHBondContact O-N 2.91Å; K212-A215 PolarHBondContact O-N 3.02Å; K212-E216 WeakPolarHBondContact O-CG 3.26Å; K212-E216 PolarHBondContact O-N 3.42Å
213E84Confident79.5Confident101 Ų10195.9 Ų95.947%0.47246%0.464SS..Hα-helixtrans-60.5-41.5176.9-74.4-172.6-16400112.6E209 K210 E216 K217E209-E213 PolarHBondContact O-N 2.88Å; K210-E213 PolarHBondContact O-N 3.25Å; E213-E216 PolarHBondContact O-N 2.85Å; E213-K217 WeakPolarHBondContact O-CB 3.41Å; E213-K217 VanDerWaalsContact O-CG 3.24Å; E213-K217 WeakPolarHBondContact O-CG 3.35Å; E213-K217 PolarHBondContact O-N 3.35Å; E213-K217 IonicContact OE2-NZ 3.21Å; E213-K217 PolarHBondContact OE2-NZ 3.3Å
214E84.7Confident77.1Confident107 Ų10799.3 Ų99.350%0.549%0.489SS..Hα-helixtrans-66.7-38.8177.2-74.4-176.4-170.300112.1K210 E211 K212 K217 K218K210-E214 WeakPolarHBondContact O-CG 3.33Å; K210-E214 PolarHBondContact O-N 3.36Å; E211-E214 PolarHBondContact O-N 3.46Å; K212-E214 VanDerWaalsContact C-N 3.34Å; K212-E214 PolarHBondContact O-N 2.91Å; E214-K217 PolarHBondContact O-N 3.33Å; E214-K218 WeakPolarHBondContact O-CB 3.41Å; E214-K218 VanDerWaalsContact O-CG 3.26Å; E214-K218 WeakPolarHBondContact O-CG 3.49Å; E214-K218 PolarHBondContact O-N 3.19Å
215A82.1Confident76.5Confident47 Ų47101.5 Ų101.539%0.38850%0.503SS..Hα-helixtrans-65.5-39175.400000111.7E211 K212 K218 K219E211-A215 WeakPolarHBondContact O-CB 3.48Å; E211-A215 PolarHBondContact O-N 2.87Å; K212-A215 PolarHBondContact O-N 3.02Å; A215-K218 PolarHBondContact O-N 2.97Å; A215-K219 WeakPolarHBondContact O-CG 3.35Å; A215-K219 PolarHBondContact O-N 3.44Å
216E80.6Confident75.8Confident133 Ų133106.5 Ų106.562%0.62153%0.527SS*.Hα-helixtrans-67.3-44.8174.8-74.2178.4179.400112.1K212 E213 K218 K219 S220K212-E216 WeakPolarHBondContact O-CG 3.26Å; K212-E216 PolarHBondContact O-N 3.42Å; E213-E216 PolarHBondContact O-N 2.85Å; E216-K218 VanDerWaalsContact C-N 3.25Å; E216-K218 PolarHBondContact O-N 3.16Å; E216-K219 PolarHBondContact O-N 3.11Å; E216-K219 VanDerWaalsContact O-N 3.14Å; E216-S220 PolarHBondContact O-N 3.28Å; E216-S220 PolarHBondContact O-OG 3.47Å
217K79.1Confident75Confident119 Ų119109.1 Ų109.152%0.51754%0.536SS..Hα-helixtrans-61.4-32.3174.2-72.3167.5-170.1161.60112.4E213 E214 S220 K221E213-K217 WeakPolarHBondContact O-CB 3.41Å; E213-K217 VanDerWaalsContact O-CG 3.24Å; E213-K217 WeakPolarHBondContact O-CG 3.35Å; E213-K217 PolarHBondContact O-N 3.35Å; E213-K217 IonicContact OE2-NZ 3.21Å; E213-K217 PolarHBondContact OE2-NZ 3.3Å; E214-K217 PolarHBondContact O-N 3.33Å; K217-S220 PolarHBondContact O-OG 3.17Å; K217-S220 VanDerWaalsContact O-OG 3.12Å; K217-K221 WeakPolarHBondContact O-CG 3.3Å; K217-K221 PolarHBondContact O-N 3.37Å
218K74.2Confident74.1Confident136 Ų136110.6 Ų110.659%0.59155%0.545SS*.Hα-helixtrans-76.2-33.5174.7-75.3171.6-175.7169.30112.6E214 A215 E216 K222E214-K218 WeakPolarHBondContact O-CB 3.41Å; E214-K218 VanDerWaalsContact O-CG 3.26Å; E214-K218 WeakPolarHBondContact O-CG 3.49Å; E214-K218 PolarHBondContact O-N 3.19Å; A215-K218 PolarHBondContact O-N 2.97Å; E216-K218 VanDerWaalsContact C-N 3.25Å; E216-K218 PolarHBondContact O-N 3.16Å; K218-K222 PolarHBondContact O-N 2.64Å
219K72.1Confident73.2Confident158 Ų158117.5 Ų117.569%0.68758%0.579SS**Hα-helixtrans-69.6-43174.1-78.3179.2-180178.30111.6A215 E216 K221 K222 S223A215-K219 WeakPolarHBondContact O-CG 3.35Å; A215-K219 PolarHBondContact O-N 3.44Å; E216-K219 PolarHBondContact O-N 3.11Å; E216-K219 VanDerWaalsContact O-N 3.14Å; K219-K221 VanDerWaalsContact C-N 3.32Å; K219-K221 PolarHBondContact O-N 3.41Å; K219-K222 PolarHBondContact O-N 3.41Å; K219-K222 VanDerWaalsContact O-N 3.14Å; K219-S223 PolarHBondContact O-N 3.07Å; K219-S223 PolarHBondContact O-OG 2.99Å
220S63.7Low72.3Confident66 Ų66118.9 Ų118.946%0.46259%0.587SS.*Hα-helixtrans-66.8-31.1177.961.90000113.4E216 K217 S223E216-S220 PolarHBondContact O-N 3.28Å; E216-S220 PolarHBondContact O-OG 3.47Å; K217-S220 PolarHBondContact O-OG 3.17Å; K217-S220 VanDerWaalsContact O-OG 3.12Å; S220-S223 PolarHBondContact O-OG 3.26Å
221K57.5Low71.1Confident169 Ų169118 Ų11874%0.73559%0.588SS**THydrogen-bonded Turntrans-75.2-17.1172.1-77.9-176.8178.4-175.90114.9K217 K219K217-K221 WeakPolarHBondContact O-CG 3.3Å; K217-K221 PolarHBondContact O-N 3.37Å; K219-K221 VanDerWaalsContact C-N 3.32Å; K219-K221 PolarHBondContact O-N 3.41Å
222K55.2Low69.9Low187 Ų187121.5 Ų121.581%0.81361%0.608SS**THydrogen-bonded Turntrans-92.3-13.3176.6-84.8-175.8174-1750113.2K218 K219K218-K222 PolarHBondContact O-N 2.64Å; K219-K222 PolarHBondContact O-N 3.41Å; K219-K222 VanDerWaalsContact O-N 3.14Å
223S50.1Low68.8Low96 Ų96124.8 Ų124.867%0.67163%0.629SS**  trans-96.68.6178540000113.8K219 S220K219-S223 PolarHBondContact O-N 3.07Å; K219-S223 PolarHBondContact O-OG 2.99Å; S220-S223 PolarHBondContact O-OG 3.26Å
224V42.2Very low67.4Low179 Ų179127 Ų127100%1.08564%0.643SS**  trans-117.10170.8-177.30000107.4

Retrieved 224 of 224 residues in 45.5 ms (Link to these results)

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