A0A093K1N9_STRCA Loading...

Ras-related protein Rab-14

AlphaFold DB (P61106), UniProt , Accession A0A093K1N9, Species STRCA (Struthio camelus australis), Gene n/a, Length 215 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
1M35.9Very low68.3Low226 Ų22688.5 Ų88.5100%1.11350%0.504SS*.  0120.70-74.5177.7-176.600107.5T3M1-T3 PolarHBondContact O-N 3.23Å; M1-T3 VanDerWaalsContact O-N 3.09Å
2A40.7Very low70.6Confident103 Ų10381.2 Ų81.285%0.85146%0.462SS*.  trans-69.8104.317200000107.5A4A2-A4 PolarHBondContact O-N 3.35Å
3T45.7Very low72.5Confident127 Ų12777.8 Ų77.878%0.77944%0.439SS*.  trans-57109161.935.10000105.8M1 P5M1-T3 PolarHBondContact O-N 3.23Å; M1-T3 VanDerWaalsContact O-N 3.09Å; T3-P5 VanDerWaalsContact O-CD 3.27Å; T3-P5 WeakPolarHBondContact O-CD 3.47Å
4A52.2Low74.3Confident62 Ų6272.3 Ų72.351%0.51241%0.408SS..  trans-53.6118.9176.600000107A2 Y6 N7A2-A4 PolarHBondContact O-N 3.35Å; A4-Y6 PolarHBondContact O-N 2.93Å; A4-N7 PolarHBondContact O-N 3.36Å; A4-N7 VanDerWaalsContact O-N 3.09Å
5P56.2Low75.7Confident107 Ų10767.5 Ų67.570%0.69538%0.381SS*.THydrogen-bonded Turntrans-59.4-15.2-172.617.4-28.3000112.7T3T3-P5 VanDerWaalsContact O-CD 3.27Å; T3-P5 WeakPolarHBondContact O-CD 3.47Å
6Y68.4Low76.9Confident177 Ų17763.3 Ų63.369%0.69436%0.357SS*.THydrogen-bonded Turntrans-103.218.7-178.1-66.7-79.4000115.3A4 Y8 I52A4-Y6 PolarHBondContact O-N 2.93Å; Y6-Y8 WeakPolarHBondContact O-CD1 3.43Å; Y6-Y8 WeakPolarHBondContact O-CE1 3.4Å; Y6-Y8 PolarHBondContact O-N 3.08Å; Y6-I52 HydrophobicContact CD1-CD1 3.98Å
7N85.9Confident78Confident90 Ų9059.6 Ų59.648%0.48134%0.336SS..  trans-76.2126.4174.8-156.819.6000110.9A4 K59A4-N7 PolarHBondContact O-N 3.36Å; A4-N7 VanDerWaalsContact O-N 3.09Å; N7-K59 WeakPolarHBondContact O-CD 3.33Å
8Y89.6Confident78.9Confident26 Ų2656.3 Ų56.310%0.10232%0.318CS..  trans-146.7146.2177.557-95.6000110.2Y6 Y10 I11 I52 K59 K61 K193Y6-Y8 WeakPolarHBondContact O-CD1 3.43Å; Y6-Y8 WeakPolarHBondContact O-CE1 3.4Å; Y6-Y8 PolarHBondContact O-N 3.08Å; Y8-Y10 WeakPolarHBondContact CD2-O 3.31Å; Y8-I11 HydrophobicContact CD2-CG1 4.03Å; Y8-I11 HydrophobicContact CE2-CD1 3.71Å; Y8-I11 HydrophobicContact CE2-CG1 3.34Å; Y8-I52 HydrophobicContact CD1-CD1 3.77Å; Y8-I52 HydrophobicContact CD1-CG1 4.26Å; Y8-I52 HydrophobicContact CE1-CD1 4.43Å; Y8-K59 WeakPolarHBondContact CA-O 3.43Å; Y8-K59 WeakPolarHBondContact CB-O 3.28Å; Y8-K61 HydrophobicContact CD1-CB 4.04Å; Y8-K61 HydrophobicContact CD1-CD 4.24Å; Y8-K61 HydrophobicContact CD2-CB 3.79Å; Y8-K61 HydrophobicContact CE1-CB 4.2Å; Y8-K61 HydrophobicContact CE1-CD 3.6Å; Y8-K61 HydrophobicContact CE1-CG 4.48Å; Y8-K61 HydrophobicContact CE2-CB 3.94Å; Y8-K61 HydrophobicContact CE2-CD 4.09Å; Y8-K61 HydrophobicContact CG-CB 3.84Å; Y8-K61 VanDerWaalsContact CZ-CD 3.48Å; Y8-K193 HydrophobicContact CD2-CD 4.27Å; Y8-K193 HydrophobicContact CE2-CD 3.6Å; Y8-K193 HydrophobicContact CE2-CG 4.4Å; Y8-K193 PolarHBondContact OH-NZ 3.48Å
9S89.7Confident79.6Confident29 Ų2954.2 Ų54.220%0.20331%0.306CS..SBendtrans-89.4-30.2-176.6-480000111.9Q58 K59 H192 K193S9-Q58 PolarHBondContact OG-OE1 3.02Å; S9-K59 PolarHBondContact N-O 3.22Å; S9-H192 PolarHBondContact O-CD2 3.15Å; S9-K193 PolarHBondContact O-N 3.41Å
10Y93.2Very high80.3Confident19 Ų1954.9 Ų54.98%0.07531%0.307CS..EExtended strand (participates in β ladder)trans-130.1150.3-175.5-62.3-84000112.6Y8 F12 Q58 K59 I60 K61 Y173 I176 V190 Q191 H192Y8-Y10 WeakPolarHBondContact CD2-O 3.31Å; Y10-F12 HydrophobicContact CD1-CE1 4.33Å; Y10-F12 HydrophobicContact CG-CE1 4.19Å; Y10-Q58 HydrophobicContact CE2-CG 4.36Å; Y10-K59 PolarHBondContact N-O 2.99Å; Y10-I60 HydrophobicContact CD2-CG1 4.47Å; Y10-I60 WeakPolarHBondContact O-CA 3.3Å; Y10-K61 PolarHBondContact O-N 3.09Å; Y10-Y173 HydrophobicContact CD2-CE2 4.38Å; Y10-Y173 HydrophobicContact CE2-CD2 4.31Å; Y10-Y173 AromaticContact CE2-CE2 3.77Å; Y10-Y173 HydrophobicContact CE2-CE2 3.77Å; Y10-I176 HydrophobicContact CD1-CD1 4.25Å; Y10-I176 HydrophobicContact CE1-CD1 4.22Å; Y10-I176 HydrophobicContact CE1-CG2 4.47Å; Y10-V190 HydrophobicContact CD1-CG1 4.02Å; Y10-Q191 CarbonylContact C-O 3.58Å; Y10-Q191 VanDerWaalsContact CA-O 3.28Å; Y10-Q191 WeakPolarHBondContact CA-O 3.37Å; Y10-H192 HydrophobicContact CD1-CB 4.16Å; Y10-H192 AromaticContact CD1-CD2 3.94Å; Y10-H192 HydrophobicContact CE1-CB 3.97Å; Y10-H192 AromaticContact CE1-CD2 3.4Å; Y10-H192 WeakPolarHBondContact CE1-CD2 3.2Å; Y10-H192 AromaticContact CE1-CG 3.95Å; Y10-H192 AromaticContact CZ-CD2 3.59Å
11I94.3Very high80.8Confident8 Ų853.6 Ų53.64%0.04131%0.307CS..EExtended strand (participates in β ladder)trans-116.9124.9163.7-54.3177.6000107.9Y8 K61 Q63 V190 Q191Y8-I11 HydrophobicContact CD2-CG1 4.03Å; Y8-I11 HydrophobicContact CE2-CD1 3.71Å; Y8-I11 HydrophobicContact CE2-CG1 3.34Å; I11-K61 CarbonylContact C-O 3.6Å; I11-K61 VanDerWaalsContact CA-O 3.27Å; I11-K61 WeakPolarHBondContact CA-O 3.5Å; I11-K61 HydrophobicContact CG1-CB 4.32Å; I11-Q63 HydrophobicContact CG2-CB 4.44Å; I11-Q63 HydrophobicContact CG2-CG 3.74Å; I11-V190 WeakPolarHBondContact O-CA 3.2Å; I11-Q191 HydrophobicContact CB-CB 4.11Å; I11-Q191 HydrophobicContact CD1-CB 4.49Å; I11-Q191 HydrophobicContact CG1-CB 4.47Å; I11-Q191 PolarHBondContact N-O 2.74Å; I11-Q191 PolarHBondContact O-N 3.18Å
12F95.8Very high83.6Confident0 Ų042.9 Ų42.90%025%0.254CS..EExtended strand (participates in β ladder)trans-110.5128.1170.9-62.1-11.6000109.8Y10 Y14 I60 K61 L62 Q63 A85 A169 I172 I176 V190Y10-F12 HydrophobicContact CD1-CE1 4.33Å; Y10-F12 HydrophobicContact CG-CE1 4.19Å; F12-Y14 HydrophobicContact CB-CD1 4.34Å; F12-Y14 HydrophobicContact CB-CE1 3.95Å; F12-Y14 HydrophobicContact CD2-CE1 4.48Å; F12-I60 HydrophobicContact CB-CG2 4.37Å; F12-I60 HydrophobicContact CD1-CG2 4.06Å; F12-I60 HydrophobicContact CD2-CD1 4.46Å; F12-I60 HydrophobicContact CD2-CG2 3.59Å; F12-I60 HydrophobicContact CE1-CG2 4.21Å; F12-I60 HydrophobicContact CE2-CD1 3.65Å; F12-I60 HydrophobicContact CE2-CG2 3.79Å; F12-I60 HydrophobicContact CG-CG2 3.73Å; F12-I60 HydrophobicContact CZ-CD1 3.77Å; F12-I60 HydrophobicContact CZ-CG2 4.09Å; F12-K61 PolarHBondContact N-O 3.49Å; F12-L62 HydrophobicContact CB-CD2 3.85Å; F12-L62 HydrophobicContact CD2-CD2 4.15Å; F12-L62 HydrophobicContact CG-CD2 4.41Å; F12-Q63 PolarHBondContact O-N 2.81Å; F12-A85 HydrophobicContact CB-CB 4.47Å; F12-A169 HydrophobicContact CD2-CB 4.37Å; F12-A169 HydrophobicContact CE2-CB 4.39Å; F12-I172 HydrophobicContact CD1-CG2 4.16Å; F12-I172 HydrophobicContact CD2-CB 4.1Å; F12-I172 HydrophobicContact CD2-CD1 4.12Å; F12-I172 HydrophobicContact CD2-CG2 3.85Å; F12-I172 HydrophobicContact CE1-CG2 3.91Å; F12-I172 HydrophobicContact CE2-CB 3.75Å; F12-I172 HydrophobicContact CE2-CG2 3.54Å; F12-I172 HydrophobicContact CG-CG2 4.17Å; F12-I172 HydrophobicContact CZ-CB 4.23Å; F12-I172 HydrophobicContact CZ-CG2 3.59Å; F12-I176 HydrophobicContact CE1-CD1 3.67Å; F12-I176 HydrophobicContact CZ-CD1 3.73Å; F12-V190 HydrophobicContact CD1-CB 4.27Å; F12-V190 HydrophobicContact CD1-CG1 3.94Å; F12-V190 HydrophobicContact CD1-CG2 3.78Å; F12-V190 HydrophobicContact CE1-CB 4.35Å; F12-V190 HydrophobicContact CE1-CG1 3.67Å; F12-V190 HydrophobicContact CE1-CG2 3.88Å
13K95.2Very high86.2Confident38 Ų3838.5 Ų38.517%0.16522%0.218CC..EExtended strand (participates in β ladder)trans-88120.6173.1177.8174.9164.6-167.30110.4Q63 Y80 R82 G83 A85 G86 G189K13-Q63 CarbonylContact C-O 3.56Å; K13-Q63 WeakPolarHBondContact CA-O 3.24Å; K13-Y80 WeakPolarHBondContact CE-O 2.87Å; K13-Y80 PolarHBondContact NZ-O 2.81Å; K13-R82 PolarHBondContact NZ-O 2.9Å; K13-G83 WeakPolarHBondContact CD-O 3.41Å; K13-A85 PolarHBondContact O-N 2.98Å; K13-G86 PolarHBondContact O-N 3.16Å; K13-G189 PolarHBondContact N-O 2.61Å
14Y96.9Very high88.5Confident0 Ų032.9 Ų32.90%018%0.183CC..EExtended strand (participates in β ladder)trans-110.1146175.2-77.714.7000111.1F12 L62 Q63 I64 W65 G86 L88 F165 A168 A169 I172F12-Y14 HydrophobicContact CB-CD1 4.34Å; F12-Y14 HydrophobicContact CB-CE1 3.95Å; F12-Y14 HydrophobicContact CD2-CE1 4.48Å; Y14-L62 HydrophobicContact CD2-CD1 4.34Å; Y14-L62 HydrophobicContact CE1-CD2 4.1Å; Y14-L62 HydrophobicContact CE2-CD1 3.92Å; Y14-L62 HydrophobicContact CE2-CD2 4.22Å; Y14-Q63 PolarHBondContact N-O 3.48Å; Y14-I64 HydrophobicContact CD2-CG1 4.48Å; Y14-W65 PolarHBondContact O-N 2.92Å; Y14-G86 VanDerWaalsContact CA-O 3.29Å; Y14-G86 WeakPolarHBondContact CA-O 3.37Å; Y14-L88 HydrophobicContact CD2-CD1 3.38Å; Y14-L88 HydrophobicContact CE2-CD1 3.9Å; Y14-L88 HydrophobicContact CG-CD1 3.99Å; Y14-F165 AromaticContact CD2-CD1 3.93Å; Y14-F165 HydrophobicContact CD2-CD1 3.93Å; Y14-F165 HydrophobicContact CD2-CE1 4.47Å; Y14-F165 HydrophobicContact CE2-CD1 4.14Å; Y14-F165 PolarHBondContact OH-O 3.29Å; Y14-A168 HydrophobicContact CE2-CB 4.11Å; Y14-A168 WeakPolarHBondContact OH-CB 3.38Å; Y14-A169 WeakPolarHBondContact OH-CA 3.47Å; Y14-A169 VanDerWaalsContact OH-CB 3.29Å; Y14-A169 WeakPolarHBondContact OH-CB 3.29Å; Y14-A169 PolarHBondContact OH-N 2.73Å; Y14-I172 HydrophobicContact CD1-CD1 4.45Å; Y14-I172 HydrophobicContact CE1-CD1 3.44Å; Y14-I172 VanDerWaalsContact CE1-CD1 3.44Å
15I95.3Very high90.5Very high1 Ų130.4 Ų30.41%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-118.1142166.462.4178.7000109I17 W65 Y80 Y81 A84 G86 A87 L88 T113I15-I17 HydrophobicContact CB-CG2 4.49Å; I15-I17 HydrophobicContact CD1-CG2 4.04Å; I15-I17 HydrophobicContact CG1-CG2 4.19Å; I15-W65 WeakPolarHBondContact CA-O 3.46Å; I15-W65 HydrophobicContact CG2-CB 4.4Å; I15-Y80 WeakPolarHBondContact CG2-O 3.43Å; I15-Y81 HydrophobicContact CD1-CD1 3.25Å; I15-Y81 HydrophobicContact CD1-CE1 3.63Å; I15-Y81 HydrophobicContact CD1-CG 3.86Å; I15-A84 HydrophobicContact CD1-CB 4.07Å; I15-A84 HydrophobicContact CG1-CB 4.11Å; I15-A84 HydrophobicContact CG2-CB 3.94Å; I15-G86 PolarHBondContact N-O 3.05Å; I15-A87 HydrophobicContact CD1-CB 4.05Å; I15-A87 HydrophobicContact CG1-CB 3.76Å; I15-A87 WeakPolarHBondContact O-CA 3.41Å; I15-L88 PolarHBondContact O-N 2.99Å; I15-T113 HydrophobicContact CD1-CG2 4.15Å
16I95.8Very high92.3Very high0 Ų026.4 Ų26.40%014%0.137CC..EExtended strand (participates in β ladder)trans-107123.5169.1-43.2-178.4000108.1K24 L28 I64 W65 D66 T67 L88 V90 F165I16-K24 HydrophobicContact CB-CB 4.38Å; I16-K24 HydrophobicContact CG2-CB 3.66Å; I16-K24 HydrophobicContact CG2-CD 3.93Å; I16-K24 HydrophobicContact CG2-CG 3.73Å; I16-L28 HydrophobicContact CD1-CB 4.05Å; I16-I64 HydrophobicContact CD1-CG2 3.68Å; I16-I64 HydrophobicContact CG1-CG2 3.71Å; I16-W65 PolarHBondContact N-O 2.91Å; I16-D66 HydrophobicContact CD1-CB 4.44Å; I16-T67 PolarHBondContact O-N 2.85Å; I16-T67 PolarHBondContact O-OG1 2.76Å; I16-L88 WeakPolarHBondContact CA-O 3.24Å; I16-L88 HydrophobicContact CB-CB 4.46Å; I16-L88 HydrophobicContact CG1-CB 4.32Å; I16-L88 HydrophobicContact CG2-CB 4.1Å; I16-V90 HydrophobicContact CG2-CG2 3.66Å; I16-F165 HydrophobicContact CD1-CE1 4.49Å; I16-F165 HydrophobicContact CD1-CZ 4.21Å
17I94.4Very high93.6Very high0 Ų018 Ų180%010%0.104CC..EExtended strand (participates in β ladder)trans-128.6161.6-17665.9175000110.6I15 K24 Y81 L88 M89 V90 W105 A109I15-I17 HydrophobicContact CB-CG2 4.49Å; I15-I17 HydrophobicContact CD1-CG2 4.04Å; I15-I17 HydrophobicContact CG1-CG2 4.19Å; I17-K24 VanDerWaalsContact C-CD 3.5Å; I17-Y81 HydrophobicContact CD1-CE1 4.02Å; I17-Y81 HydrophobicContact CG2-CE1 4.03Å; I17-L88 PolarHBondContact N-O 2.91Å; I17-M89 HydrophobicContact CD1-CB 4.32Å; I17-M89 HydrophobicContact CD1-CG 4.35Å; I17-M89 HydrophobicContact CG1-CB 4.05Å; I17-M89 HydrophobicContact CG1-CG 4.2Å; I17-V90 PolarHBondContact O-N 3.04Å; I17-W105 HydrophobicContact CB-CE3 4.03Å; I17-W105 HydrophobicContact CB-CZ3 4.32Å; I17-W105 HydrophobicContact CD1-CB 4.37Å; I17-A109 HydrophobicContact CD1-CB 3.97Å
18G94.6Very high94.1Very high0 Ų013.9 Ų13.90%08%0.082CC..  trans132.2170.7-175.700000112.2K24 G69 W105G18-K24 PolarHBondContact O-NZ 2.92Å; G18-G69 WeakPolarHBondContact O-CA 3.2Å; G18-W105 VanDerWaalsContact C-CZ2 3.44Å; G18-W105 WeakPolarHBondContact O-CZ2 3.36Å
19D93.5Very high94.3Very high17 Ų1714.3 Ų14.39%0.0918%0.084CC..  trans-59.4162.1-173.9-85.217.5000113.9V22 K24 T98 H101 W105D19-V22 HydrophobicContact CB-CG1 3.77Å; D19-V22 VanDerWaalsContact O-CG2 3.25Å; D19-V22 WeakPolarHBondContact O-CG2 3.36Å; D19-K24 PolarHBondContact O-NZ 3.35Å; D19-T98 HydrophobicContact CB-CG2 3.9Å; D19-H101 IonicContact OD1-CG 3.18Å; D19-H101 IonicContact OD1-ND1 2.7Å; D19-H101 IonicContact OD2-CE1 3.35Å; D19-H101 IonicContact OD2-CG 2.64Å; D19-H101 IonicContact OD2-ND1 3.39Å; D19-H101 PolarHBondContact OD2-ND1 2.89Å; D19-W105 PolarHBondContact OD1-NE1 3.5Å
20M91.9Very high94.6Very high67 Ų6713.8 Ų13.833%0.338%0.079SC..THydrogen-bonded Turntrans-62.6138.1170.8-172.2177.873.400111.2V22 H42 G69 Q70 R95M20-V22 VanDerWaalsContact C-N 3.29Å; M20-V22 PolarHBondContact O-N 2.98Å; M20-H42 HydrophobicContact CG-CB 4.35Å; M20-H42 HydrophobicContact SD-CB 4.02Å; M20-H42 PolarHBondContact SD-CD2 3.18Å; M20-H42 VanDerWaalsContact SD-CG 3.51Å; M20-G69 PolarHBondContact N-O 2.97Å; M20-Q70 HydrophobicContact CB-CG 4.42Å; M20-Q70 HydrophobicContact CG-CG 4.33Å; M20-Q70 HydrophobicContact SD-CG 3.36Å; M20-Q70 WeakPolarHBondContact SD-CG 3.33Å; M20-Q70 PolarHBondContact SD-NE2 2.97Å; M20-Q70 VanDerWaalsContact SD-NE2 3.45Å; M20-R95 PolarHBondContact O-NH1 2.99Å; M20-R95 VanDerWaalsContact O-NH1 3.09Å; M20-R95 PolarHBondContact O-NH2 3.3Å; M20-R95 VanDerWaalsContact O-NH2 3.1Å
21G92.1Very high94.8Very high29 Ų2912.9 Ų12.930%0.2998%0.075SC..THydrogen-bonded Turntrans75.79.4174.300000115.6G23 K125G21-G23 VanDerWaalsContact C-N 3.27Å; G21-K125 PolarHBondContact O-NZ 3.28Å
22V95.1Very high94.8Very high0 Ų014.4 Ų14.40%09%0.085CC..SBendtrans-75.2-16.8172.7-56.90000112.9D19 M20 K24 V90 D92 T98 N124D19-V22 HydrophobicContact CB-CG1 3.77Å; D19-V22 VanDerWaalsContact O-CG2 3.25Å; D19-V22 WeakPolarHBondContact O-CG2 3.36Å; M20-V22 VanDerWaalsContact C-N 3.29Å; M20-V22 PolarHBondContact O-N 2.98Å; V22-K24 HydrophobicContact CG2-CD 4.39Å; V22-K24 HydrophobicContact CG2-CG 3.63Å; V22-V90 HydrophobicContact CB-CG1 4.23Å; V22-V90 HydrophobicContact CG2-CB 3.89Å; V22-V90 HydrophobicContact CG2-CG1 3.78Å; V22-D92 HydrophobicContact CB-CB 4.25Å; V22-D92 HydrophobicContact CG1-CB 4.1Å; V22-T98 HydrophobicContact CG1-CG2 3.71Å; V22-N124 PolarHBondContact O-ND2 3.13Å
23G94.7Very high94.6Very high11 Ų1118.7 Ų18.711%0.11311%0.105CC..SBendtrans101.825.817700000115.7G21 C26 L27G21-G23 VanDerWaalsContact C-N 3.27Å; G23-C26 WeakPolarHBondContact O-CB 3.32Å; G23-C26 PolarHBondContact O-N 3.11Å; G23-L27 WeakPolarHBondContact O-CG 3.47Å; G23-L27 PolarHBondContact O-N 3.37Å
24K94.5Very high94.3Very high9 Ų922.7 Ų22.74%0.03912%0.123CC..Hα-helixtrans-54-52.7176.5-58.9-171.6-62.2-72.90113.2I16 I17 G18 D19 V22 C26 L27 L28 D66 T67 V90I16-K24 HydrophobicContact CB-CB 4.38Å; I16-K24 HydrophobicContact CG2-CB 3.66Å; I16-K24 HydrophobicContact CG2-CD 3.93Å; I16-K24 HydrophobicContact CG2-CG 3.73Å; I17-K24 VanDerWaalsContact C-CD 3.5Å; G18-K24 PolarHBondContact O-NZ 2.92Å; D19-K24 PolarHBondContact O-NZ 3.35Å; V22-K24 HydrophobicContact CG2-CD 4.39Å; V22-K24 HydrophobicContact CG2-CG 3.63Å; K24-C26 VanDerWaalsContact C-N 3.31Å; K24-C26 PolarHBondContact O-N 2.83Å; K24-L27 WeakPolarHBondContact O-CB 3.25Å; K24-L27 PolarHBondContact O-N 2.85Å; K24-L28 PolarHBondContact O-N 2.72Å; K24-D66 WeakPolarHBondContact CB-OD1 3.36Å; K24-T67 WeakPolarHBondContact CE-O 3.37Å; K24-V90 HydrophobicContact CG-CB 4.22Å; K24-V90 HydrophobicContact CG-CG2 4.27Å
25S93.2Very high93.8Very high10 Ų1028.3 Ų28.37%0.0715%0.147CC..Hα-helixtrans-63.8-37.5177-370000111.6L27 L28 H29 T43 D66S25-L27 PolarHBondContact O-N 3.24Å; S25-L28 WeakPolarHBondContact O-CB 3.48Å; S25-L28 PolarHBondContact O-N 3.48Å; S25-H29 PolarHBondContact O-CD2 3.22Å; S25-H29 PolarHBondContact O-N 2.88Å; S25-T43 PolarHBondContact OG-OG1 3.39Å; S25-D66 WeakPolarHBondContact CA-OD2 3.43Å; S25-D66 WeakPolarHBondContact CB-OD2 3.45Å; S25-D66 PolarHBondContact OG-OD2 2.85Å
26C94.5Very high93.2Very high24 Ų2432.1 Ų32.116%0.16216%0.164CC..Hα-helixtrans-63.7-40.8176-53.90000111.8G23 K24 Q30 F36 A155G23-C26 WeakPolarHBondContact O-CB 3.32Å; G23-C26 PolarHBondContact O-N 3.11Å; K24-C26 VanDerWaalsContact C-N 3.31Å; K24-C26 PolarHBondContact O-N 2.83Å; C26-Q30 WeakPolarHBondContact O-CB 3.18Å; C26-Q30 PolarHBondContact O-N 3.32Å; C26-F36 HydrophobicContact CB-CD2 4.2Å; C26-F36 HydrophobicContact CB-CE2 4.09Å; C26-A155 HydrophobicContact CB-CB 3.6Å
27L96.4Very high92.4Very high0 Ų037.1 Ų37.10%019%0.188CC..Hα-helixtrans-63.1-42.7173-72.7169.1000111.1G23 K24 S25 F31 V90 I122 N124 A153 A155 V161G23-L27 WeakPolarHBondContact O-CG 3.47Å; G23-L27 PolarHBondContact O-N 3.37Å; K24-L27 WeakPolarHBondContact O-CB 3.25Å; K24-L27 PolarHBondContact O-N 2.85Å; S25-L27 PolarHBondContact O-N 3.24Å; L27-F31 VanDerWaalsContact O-CB 3.24Å; L27-F31 WeakPolarHBondContact O-CB 3.39Å; L27-F31 PolarHBondContact O-N 2.93Å; L27-V90 HydrophobicContact CD1-CG1 3.8Å; L27-V90 HydrophobicContact CD1-CG2 3.87Å; L27-I122 HydrophobicContact CD1-CG2 4.21Å; L27-N124 HydrophobicContact CD1-CB 4.37Å; L27-A153 HydrophobicContact CD2-CB 4.33Å; L27-A155 HydrophobicContact CD2-CB 3.95Å; L27-A155 HydrophobicContact CG-CB 4.14Å; L27-V161 HydrophobicContact CD2-CG1 4.24Å; L27-V161 HydrophobicContact CD2-CG2 3.79Å
28L95.5Very high91.4Very high4 Ų440.8 Ų40.82%0.02122%0.218CC..Hα-helixtrans-57.7-57.2175.8178.261.8000111.2I16 K24 S25 Q30 F31 T32 E47 I64 D66I16-L28 HydrophobicContact CD1-CB 4.05Å; K24-L28 PolarHBondContact O-N 2.72Å; S25-L28 WeakPolarHBondContact O-CB 3.48Å; S25-L28 PolarHBondContact O-N 3.48Å; L28-Q30 VanDerWaalsContact C-N 3.34Å; L28-Q30 PolarHBondContact O-N 3.03Å; L28-F31 PolarHBondContact O-N 2.84Å; L28-F31 VanDerWaalsContact O-N 3.15Å; L28-T32 HydrophobicContact CD1-CG2 3.93Å; L28-T32 PolarHBondContact O-N 3.11Å; L28-T32 PolarHBondContact O-OG1 3.2Å; L28-E47 HydrophobicContact CD2-CB 4.42Å; L28-I64 HydrophobicContact CD1-CB 3.81Å; L28-I64 HydrophobicContact CD1-CD1 4.01Å; L28-I64 HydrophobicContact CD1-CG2 3.66Å; L28-D66 HydrophobicContact CD2-CB 3.65Å
29H94.2Very high90.3Very high34 Ų3448.4 Ų48.416%0.15726%0.259CS..Hα-helixtrans-64-37.5-178.8-69.7-67.1000112.6S25 F31 T32 E33 K34 K35 E47S25-H29 PolarHBondContact O-CD2 3.22Å; S25-H29 PolarHBondContact O-N 2.88Å; H29-F31 VanDerWaalsContact C-N 3.28Å; H29-F31 PolarHBondContact O-N 3.04Å; H29-T32 PolarHBondContact O-N 3.29Å; H29-E33 IonicContact CE1-OE1 3.62Å; H29-E33 IonicContact ND1-OE1 3.89Å; H29-E33 PolarHBondContact ND1-OE1 3.24Å; H29-E33 VanDerWaalsContact ND1-OE1 3.13Å; H29-E33 WeakPolarHBondContact O-CA 3.21Å; H29-E33 WeakPolarHBondContact O-CB 3.38Å; H29-E33 PolarHBondContact O-N 3.28Å; H29-K34 PolarHBondContact O-N 3.31Å; H29-K35 CarbonylContact C-O 3.39Å; H29-E47 IonicContact CE1-OE2 2.84Å; H29-E47 IonicContact NE2-OE2 2.72Å; H29-E47 PolarHBondContact NE2-OE2 3.01Å
30Q95.9Very high89Confident18 Ų1849.3 Ų49.38%0.08427%0.266CS..Hα-helixtrans-65.9-36.8176.4-176.465.9-5400111C26 L28 K34 K35 A155 V161C26-Q30 WeakPolarHBondContact O-CB 3.18Å; C26-Q30 PolarHBondContact O-N 3.32Å; L28-Q30 VanDerWaalsContact C-N 3.34Å; L28-Q30 PolarHBondContact O-N 3.03Å; Q30-K34 WeakPolarHBondContact O-CA 3.29Å; Q30-K34 PolarHBondContact O-N 2.89Å; Q30-K34 VanDerWaalsContact OE1-CA 3.23Å; Q30-K34 PolarHBondContact OE1-O 3.4Å; Q30-K35 WeakPolarHBondContact CA-O 3.27Å; Q30-K35 PolarHBondContact N-O 3.34Å; Q30-K35 VanDerWaalsContact OE1-N 3.09Å; Q30-A155 WeakPolarHBondContact CG-O 3.47Å; Q30-A155 PolarHBondContact NE2-O 3.04Å; Q30-V161 HydrophobicContact CB-CG1 4.18Å; Q30-V161 HydrophobicContact CG-CB 4.26Å; Q30-V161 HydrophobicContact CG-CG1 4.03Å; Q30-V161 HydrophobicContact CG-CG2 4.01Å
31F96.6Very high88.2Confident0 Ų051.1 Ų51.10%028%0.283CS..Hα-helixtrans-71.7-43.9175.1-179.6-109.2000112.8L27 L28 H29 R51 I53 L62 I64 V161 F165 L166L27-F31 VanDerWaalsContact O-CB 3.24Å; L27-F31 WeakPolarHBondContact O-CB 3.39Å; L27-F31 PolarHBondContact O-N 2.93Å; L28-F31 PolarHBondContact O-N 2.84Å; L28-F31 VanDerWaalsContact O-N 3.15Å; H29-F31 VanDerWaalsContact C-N 3.28Å; H29-F31 PolarHBondContact O-N 3.04Å; F31-R51 HydrophobicContact CD1-CB 4.45Å; F31-R51 VanDerWaalsContact CD2-NH1 3.32Å; F31-R51 HydrophobicContact CE1-CB 3.78Å; F31-R51 HydrophobicContact CE1-CG 4.22Å; F31-R51 HydrophobicContact CZ-CB 4.38Å; F31-R51 HydrophobicContact CZ-CG 4.39Å; F31-R51 WeakPolarHBondContact O-CD 3.24Å; F31-R51 PolarHBondContact O-NH1 3.33Å; F31-I53 HydrophobicContact CE2-CG2 4.48Å; F31-I53 HydrophobicContact CZ-CG2 3.78Å; F31-L62 HydrophobicContact CE1-CD1 3.99Å; F31-L62 HydrophobicContact CZ-CD1 3.91Å; F31-I64 HydrophobicContact CD1-CD1 3.64Å; F31-I64 HydrophobicContact CE1-CD1 3.67Å; F31-V161 HydrophobicContact CB-CG1 3.99Å; F31-F165 HydrophobicContact CB-CD2 4.02Å; F31-F165 HydrophobicContact CB-CE2 3.69Å; F31-F165 HydrophobicContact CB-CZ 4.04Å; F31-F165 AromaticContact CD1-CD1 3.88Å; F31-F165 HydrophobicContact CD1-CD1 3.88Å; F31-F165 HydrophobicContact CD1-CD2 4.2Å; F31-F165 HydrophobicContact CD1-CE1 4.04Å; F31-F165 HydrophobicContact CD1-CE2 4.34Å; F31-F165 AromaticContact CD1-CG 3.96Å; F31-F165 HydrophobicContact CD1-CG 3.96Å; F31-F165 HydrophobicContact CD1-CZ 4.26Å; F31-F165 HydrophobicContact CD2-CB 4Å; F31-F165 AromaticContact CD2-CD2 3.62Å; F31-F165 HydrophobicContact CD2-CD2 3.62Å; F31-F165 HydrophobicContact CD2-CE2 4.2Å; F31-F165 AromaticContact CD2-CG 3.81Å; F31-F165 HydrophobicContact CD2-CG 3.81Å; F31-F165 HydrophobicContact CE1-CB 4.18Å; F31-F165 AromaticContact CE1-CD1 3.91Å; F31-F165 HydrophobicContact CE1-CD1 3.91Å; F31-F165 HydrophobicContact CE1-CE1 4.48Å; F31-F165 AromaticContact CE1-CG 3.99Å; F31-F165 HydrophobicContact CE1-CG 3.99Å; F31-F165 HydrophobicContact CE2-CB 3.56Å; F31-F165 HydrophobicContact CE2-CD2 4.11Å; F31-F165 AromaticContact CE2-CG 3.86Å; F31-F165 HydrophobicContact CE2-CG 3.86Å; F31-F165 HydrophobicContact CG-CB 4.48Å; F31-F165 HydrophobicContact CG-CD1 4.2Å; F31-F165 AromaticContact CG-CD2 3.67Å; F31-F165 HydrophobicContact CG-CD2 3.67Å; F31-F165 HydrophobicContact CG-CE1 4.35Å; F31-F165 AromaticContact CG-CE2 3.83Å; F31-F165 HydrophobicContact CG-CE2 3.83Å; F31-F165 AromaticContact CG-CG 3.86Å; F31-F165 HydrophobicContact CG-CG 3.86Å; F31-F165 HydrophobicContact CG-CZ 4.16Å; F31-F165 HydrophobicContact CZ-CB 3.66Å; F31-F165 HydrophobicContact CZ-CD1 4.27Å; F31-F165 AromaticContact CZ-CG 3.94Å; F31-F165 HydrophobicContact CZ-CG 3.94Å; F31-L166 HydrophobicContact CE2-CD1 4.05Å; F31-L166 HydrophobicContact CZ-CD1 4.45Å
32T94.2Very high87.7Confident41 Ų4154.6 Ų54.625%0.25229%0.292SS..Hα-helixtrans-85.1-35.4-173.954.30000113.7L28 H29L28-T32 HydrophobicContact CD1-CG2 3.93Å; L28-T32 PolarHBondContact O-N 3.11Å; L28-T32 PolarHBondContact O-OG1 3.2Å; H29-T32 PolarHBondContact O-N 3.29Å
33E91.5Very high86.7Confident90 Ų9055.4 Ų55.442%0.42130%0.297SS..Hα-helixtrans-120.4-6.9-170.1-63.2178.5-129.800114.1H29 K35H29-E33 IonicContact CE1-OE1 3.62Å; H29-E33 IonicContact ND1-OE1 3.89Å; H29-E33 PolarHBondContact ND1-OE1 3.24Å; H29-E33 VanDerWaalsContact ND1-OE1 3.13Å; H29-E33 WeakPolarHBondContact O-CA 3.21Å; H29-E33 WeakPolarHBondContact O-CB 3.38Å; H29-E33 PolarHBondContact O-N 3.28Å; E33-K35 HydrophobicContact CB-CB 4.31Å; E33-K35 HydrophobicContact CB-CD 4.17Å; E33-K35 HydrophobicContact CB-CG 4.13Å; E33-K35 PolarHBondContact O-N 2.74Å; E33-K35 IonicContact OE2-NZ 3.44Å; E33-K35 PolarHBondContact OE2-NZ 2.95Å
34K90.6Very high85.4Confident122 Ų12261.9 Ų61.953%0.5333%0.327SS..SBendtrans56.136.6-172.7-54.8-67.5171.7-173.30112.3H29 Q30 E162H29-K34 PolarHBondContact O-N 3.31Å; Q30-K34 WeakPolarHBondContact O-CA 3.29Å; Q30-K34 PolarHBondContact O-N 2.89Å; Q30-K34 VanDerWaalsContact OE1-CA 3.23Å; Q30-K34 PolarHBondContact OE1-O 3.4Å; K34-E162 IonicContact NZ-OE2 3.12Å; K34-E162 PolarHBondContact NZ-OE2 3.46Å
35K85.6Confident84.3Confident117 Ų11762.6 Ų62.651%0.50934%0.336SS..  trans-123.1144.7179-66178.8-162.7154.50111.2H29 Q30 E33H29-K35 CarbonylContact C-O 3.39Å; Q30-K35 WeakPolarHBondContact CA-O 3.27Å; Q30-K35 PolarHBondContact N-O 3.34Å; Q30-K35 VanDerWaalsContact OE1-N 3.09Å; E33-K35 HydrophobicContact CB-CB 4.31Å; E33-K35 HydrophobicContact CB-CD 4.17Å; E33-K35 HydrophobicContact CB-CG 4.13Å; E33-K35 PolarHBondContact O-N 2.74Å; E33-K35 IonicContact OE2-NZ 3.44Å; E33-K35 PolarHBondContact OE2-NZ 2.95Å
36F82.6Confident83.8Confident82 Ų8264 Ų6436%0.3635%0.345SS..  trans-116.6127.9168.1177.5-104.1000109.9C26 A38 A155 K156C26-F36 HydrophobicContact CB-CD2 4.2Å; C26-F36 HydrophobicContact CB-CE2 4.09Å; F36-A38 HydrophobicContact CD1-CB 4.49Å; F36-A38 HydrophobicContact CE1-CB 3.76Å; F36-A38 HydrophobicContact CZ-CB 4.43Å; F36-A155 HydrophobicContact CD2-CB 4.36Å; F36-A155 WeakPolarHBondContact CD2-O 3.47Å; F36-A155 HydrophobicContact CE2-CB 4.47Å; F36-K156 HydrophobicContact CD1-CB 4.33Å; F36-K156 HydrophobicContact CD1-CG 3.96Å; F36-K156 HydrophobicContact CD2-CB 4.17Å; F36-K156 HydrophobicContact CE1-CB 4.19Å; F36-K156 HydrophobicContact CE1-CG 3.85Å; F36-K156 HydrophobicContact CE2-CB 4.03Å; F36-K156 HydrophobicContact CG-CB 4.31Å; F36-K156 HydrophobicContact CG-CG 4.38Å; F36-K156 HydrophobicContact CZ-CB 4.04Å; F36-K156 HydrophobicContact CZ-CG 4.18Å
37M79.5Confident83.4Confident105 Ų10566.3 Ų66.352%0.51735%0.353SS..  trans-111.5106.5174.2-64.6-177.871.900108.6C40M37-C40 HydrophobicContact CB-CB 4.19Å
38A72.2Confident83.1Confident76 Ų7671 Ų7163%0.62837%0.374SS*.THydrogen-bonded Turntrans-64.3-42.2-178.800000112F36 C40F36-A38 HydrophobicContact CD1-CB 4.49Å; F36-A38 HydrophobicContact CE1-CB 3.76Å; F36-A38 HydrophobicContact CZ-CB 4.43Å; A38-C40 VanDerWaalsContact C-N 3.31Å; A38-C40 PolarHBondContact O-N 3.12Å
39D72Confident83Confident160 Ų16071.3 Ų71.386%0.85638%0.377SS*.THydrogen-bonded Turntrans-96.239.9-177.4-57.9-41000112.1P41D39-P41 WeakPolarHBondContact O-CD 3.1Å
40C66.3Low83Confident36 Ų3672.6 Ų72.624%0.24339%0.388CS..PPolyproline II helixtrans-72.3123.3177.1-165.60000109.8M37 A38M37-C40 HydrophobicContact CB-CB 4.19Å; A38-C40 VanDerWaalsContact C-N 3.31Å; A38-C40 PolarHBondContact O-N 3.12Å
41P75.9Confident82.9Confident106 Ų10674.8 Ų74.869%0.68840%0.395SS*.PPolyproline II helixtrans-60.2155174.726.4-33.8000110.5D39 T43D39-P41 WeakPolarHBondContact O-CD 3.1Å; P41-T43 PolarHBondContact O-N 3.46Å
42H80.6Confident82.8Confident102 Ų10277.2 Ų77.247%0.47241%0.408SS..PPolyproline II helixtrans-59.3133172.6-64.2-41.6000110.5M20 I44M20-H42 HydrophobicContact CG-CB 4.35Å; M20-H42 HydrophobicContact SD-CB 4.02Å; M20-H42 PolarHBondContact SD-CD2 3.18Å; M20-H42 VanDerWaalsContact SD-CG 3.51Å; H42-I44 PolarHBondContact O-N 3.02Å; H42-I44 VanDerWaalsContact O-N 3.16Å
43T74.2Confident82.9Confident17 Ų1775.8 Ų75.810%0.10440%0.398CS..PPolyproline II helixtrans-57.1119.2177.3-35.10000110.4S25 P41 E47 A68S25-T43 PolarHBondContact OG-OG1 3.39Å; P41-T43 PolarHBondContact O-N 3.46Å; T43-E47 HydrophobicContact CG2-CG 4.06Å; T43-A68 VanDerWaalsContact O-CB 3.3Å; T43-A68 WeakPolarHBondContact O-CB 3.49Å
44I67.4Low83.1Confident147 Ų14777.4 Ų77.475%0.75441%0.406SS*.SBendtrans-101.788171.8-55.8176.7000106.3H42 F73H42-I44 PolarHBondContact O-N 3.02Å; H42-I44 VanDerWaalsContact O-N 3.16Å; I44-F73 HydrophobicContact CG2-CZ 4.21Å
45G71.6Confident83.2Confident23 Ų2371.9 Ų71.924%0.23738%0.382CS..SBendtrans115.1-138.3-177.700000113.6A68G45-A68 VanDerWaalsContact O-CB 3.28Å; G45-A68 WeakPolarHBondContact O-CB 3.1Å; G45-A68 PolarHBondContact O-N 2.87Å
46V81.7Confident83.4Confident40 Ų4071 Ų7124%0.24239%0.391CS..EExtended strand (participates in β ladder)trans-131.7128.7-177.7179.60000110W65 D66 T67 V76 Y80V46-W65 HydrophobicContact CG1-CB 4.2Å; V46-W65 HydrophobicContact CG1-CE3 3.73Å; V46-D66 CarbonylContact C-O 3.49Å; V46-D66 VanDerWaalsContact CA-O 3.24Å; V46-D66 WeakPolarHBondContact CA-O 3.29Å; V46-D66 VanDerWaalsContact CG1-O 3.25Å; V46-D66 WeakPolarHBondContact CG1-O 3.39Å; V46-T67 HydrophobicContact CG2-CG2 4.44Å; V46-V76 HydrophobicContact CG2-CG1 4.4Å; V46-Y80 HydrophobicContact CB-CE1 4.29Å; V46-Y80 HydrophobicContact CB-CE2 4.06Å; V46-Y80 HydrophobicContact CG1-CD1 4.09Å; V46-Y80 HydrophobicContact CG1-CE1 3.78Å; V46-Y80 HydrophobicContact CG1-CE2 4.26Å; V46-Y80 HydrophobicContact CG1-CG 4.44Å; V46-Y80 HydrophobicContact CG2-CD2 3.76Å; V46-Y80 HydrophobicContact CG2-CE1 4.36Å; V46-Y80 HydrophobicContact CG2-CE2 3.33Å; V46-Y80 HydrophobicContact CG2-CG 4.43Å
47E87.6Confident83.8Confident72 Ų7269.8 Ų69.834%0.33640%0.401SS..EExtended strand (participates in β ladder)trans-100.5147.7172.8-70.7-174.9-167.900110.4L28 H29 T43 W65 D66L28-E47 HydrophobicContact CD2-CB 4.42Å; H29-E47 IonicContact CE1-OE2 2.84Å; H29-E47 IonicContact NE2-OE2 2.72Å; H29-E47 PolarHBondContact NE2-OE2 3.01Å; T43-E47 HydrophobicContact CG2-CG 4.06Å; E47-W65 WeakPolarHBondContact O-CA 3.48Å; E47-D66 HydrophobicContact CB-CB 4.25Å; E47-D66 PolarHBondContact N-O 2.71Å; E47-D66 PolarHBondContact O-N 2.88Å
48F89.9Confident84.4Confident100 Ų10067.6 Ų67.644%0.43939%0.39SS..EExtended strand (participates in β ladder)trans-121.2121.3-177.4176.5-100.1000110.3Q63 I64 W65F48-Q63 HydrophobicContact CE2-CB 3.84Å; F48-Q63 HydrophobicContact CE2-CG 4.05Å; F48-Q63 HydrophobicContact CZ-CB 4.19Å; F48-Q63 HydrophobicContact CZ-CG 3.91Å; F48-I64 WeakPolarHBondContact CA-O 3.28Å; F48-W65 HydrophobicContact CB-CE3 4.29Å; F48-W65 HydrophobicContact CB-CZ3 4.25Å; F48-W65 AromaticContact CD2-CD2 3.83Å; F48-W65 HydrophobicContact CD2-CD2 3.83Å; F48-W65 AromaticContact CD2-CE2 3.75Å; F48-W65 AromaticContact CD2-CE3 3.9Å; F48-W65 HydrophobicContact CD2-CE3 3.9Å; F48-W65 HydrophobicContact CD2-CG 4.49Å; F48-W65 AromaticContact CD2-CH2 3.97Å; F48-W65 HydrophobicContact CD2-CH2 3.97Å; F48-W65 AromaticContact CD2-CZ2 3.85Å; F48-W65 HydrophobicContact CD2-CZ2 3.85Å; F48-W65 AromaticContact CD2-CZ3 3.98Å; F48-W65 HydrophobicContact CD2-CZ3 3.98Å; F48-W65 HydrophobicContact CE2-CD2 4.46Å; F48-W65 AromaticContact CE2-CE2 3.96Å; F48-W65 HydrophobicContact CE2-CH2 4.44Å; F48-W65 AromaticContact CE2-CZ2 3.97Å; F48-W65 HydrophobicContact CE2-CZ2 3.97Å; F48-W65 HydrophobicContact CG-CZ3 4.43Å
49G92.1Very high85.4Confident9 Ų968 Ų689%0.09338%0.378CS..EExtended strand (participates in β ladder)trans-116.4155.3170.800000111.7I64G49-I64 PolarHBondContact N-O 2.93Å; G49-I64 PolarHBondContact O-N 2.88Å
50T94.2Very high86.6Confident62 Ų6260.4 Ų60.438%0.3834%0.337SS..EExtended strand (participates in β ladder)trans-140.8140.5172.7-168.90000111.2K61 L62T50-K61 WeakPolarHBondContact OG1-CE 3.48Å; T50-L62 VanDerWaalsContact CA-O 3.24Å; T50-L62 WeakPolarHBondContact CA-O 3.27Å; T50-L62 WeakPolarHBondContact CB-O 3.25Å; T50-L62 PolarHBondContact OG1-O 3.22Å
51R95.1Very high88Confident64 Ų6461.1 Ų61.124%0.24234%0.336CS..EExtended strand (participates in β ladder)trans-147.8138.6174.9-173.3166.5172.5-147.5-15.3109.5F31 I53 L62 E162F31-R51 HydrophobicContact CD1-CB 4.45Å; F31-R51 VanDerWaalsContact CD2-NH1 3.32Å; F31-R51 HydrophobicContact CE1-CB 3.78Å; F31-R51 HydrophobicContact CE1-CG 4.22Å; F31-R51 HydrophobicContact CZ-CB 4.38Å; F31-R51 HydrophobicContact CZ-CG 4.39Å; F31-R51 WeakPolarHBondContact O-CD 3.24Å; F31-R51 PolarHBondContact O-NH1 3.33Å; R51-I53 HydrophobicContact CG-CG2 4.36Å; R51-L62 PolarHBondContact N-O 2.81Å; R51-L62 PolarHBondContact O-N 2.82Å; R51-E162 IonicContact CZ-OE1 3.99Å; R51-E162 VanDerWaalsContact CZ-OE1 3.23Å; R51-E162 IonicContact CZ-OE2 3.87Å; R51-E162 VanDerWaalsContact NH1-CD 3.32Å; R51-E162 IonicContact NH1-OE1 3.13Å; R51-E162 PolarHBondContact NH1-OE1 3.45Å; R51-E162 VanDerWaalsContact NH1-OE1 3.12Å; R51-E162 IonicContact NH1-OE2 3.91Å; R51-E162 PolarHBondContact NH1-OE2 3.12Å; R51-E162 IonicContact NH2-OE1 3.45Å; R51-E162 PolarHBondContact NH2-OE1 3.02Å; R51-E162 IonicContact NH2-OE2 2.71Å; R51-E162 PolarHBondContact NH2-OE2 3.28Å
52I95Very high89Confident50 Ų5056 Ų5626%0.25630%0.303SS..EExtended strand (participates in β ladder)trans-90.3126.2170.4-62.8166.7000107.5Y6 Y8 K59 I60 K61Y6-I52 HydrophobicContact CD1-CD1 3.98Å; Y8-I52 HydrophobicContact CD1-CD1 3.77Å; Y8-I52 HydrophobicContact CD1-CG1 4.26Å; Y8-I52 HydrophobicContact CE1-CD1 4.43Å; I52-K59 HydrophobicContact CG2-CB 4.18Å; I52-I60 CarbonylContact C-O 3.58Å; I52-I60 WeakPolarHBondContact CA-O 3.44Å; I52-K61 HydrophobicContact CG1-CB 4.06Å; I52-K61 HydrophobicContact CG1-CG 4.18Å
53I95.8Very high89.7Confident11 Ų1153.3 Ų53.36%0.05629%0.29CS..EExtended strand (participates in β ladder)trans-117.9167.9174.562168.6000109.9F31 R51 V55 K59 I60 L62 L166 A169F31-I53 HydrophobicContact CE2-CG2 4.48Å; F31-I53 HydrophobicContact CZ-CG2 3.78Å; R51-I53 HydrophobicContact CG-CG2 4.36Å; I53-V55 HydrophobicContact CD1-CG2 3.94Å; I53-V55 HydrophobicContact CG1-CG2 4.42Å; I53-K59 CarbonylContact O-C 3.57Å; I53-K59 WeakPolarHBondContact O-CA 3.36Å; I53-I60 HydrophobicContact CG1-CB 4.2Å; I53-I60 PolarHBondContact N-O 2.88Å; I53-I60 PolarHBondContact O-N 3.09Å; I53-L62 HydrophobicContact CD1-CD1 3.74Å; I53-L62 HydrophobicContact CD1-CD2 4.16Å; I53-L62 HydrophobicContact CD1-CG 3.94Å; I53-L62 HydrophobicContact CG1-CD1 4.31Å; I53-L62 HydrophobicContact CG1-CG 4.11Å; I53-L62 HydrophobicContact CG2-CD1 4.49Å; I53-L166 HydrophobicContact CB-CD1 4.46Å; I53-L166 HydrophobicContact CD1-CD1 4.1Å; I53-L166 HydrophobicContact CD1-CG 4.36Å; I53-L166 HydrophobicContact CG2-CD1 4.07Å; I53-A169 HydrophobicContact CD1-CB 3.55Å
54E94.6Very high90.7Very high125 Ų12552.5 Ų52.558%0.58429%0.285SS*.EExtended strand (participates in β ladder)trans-118.5126.3175.5-169.5171162.500110.2Q58E54-Q58 WeakPolarHBondContact CA-O 2.99Å
55V94.1Very high91.9Very high5 Ų548.6 Ų48.63%0.0326%0.261CS..EExtended strand (participates in β ladder)trans-132.3119179.8173.40000107.6I53 G57 Q58 I60 A169 K170 Y173I53-V55 HydrophobicContact CD1-CG2 3.94Å; I53-V55 HydrophobicContact CG1-CG2 4.42Å; V55-G57 PolarHBondContact O-N 3.03Å; V55-Q58 PolarHBondContact N-O 3.25Å; V55-Q58 WeakPolarHBondContact O-CB 3.49Å; V55-Q58 PolarHBondContact O-N 2.99Å; V55-I60 HydrophobicContact CB-CD1 3.78Å; V55-I60 HydrophobicContact CG1-CD1 4.45Å; V55-I60 HydrophobicContact CG2-CD1 4.04Å; V55-A169 HydrophobicContact CG2-CB 3.95Å; V55-K170 HydrophobicContact CG1-CB 4.34Å; V55-K170 HydrophobicContact CG1-CG 3.79Å; V55-K170 HydrophobicContact CG2-CG 4.49Å; V55-Y173 HydrophobicContact CG1-CD1 4.24Å; V55-Y173 HydrophobicContact CG1-CG 4.38Å
56S90.1Very high92.8Very high100 Ų10047.5 Ų47.570%0.69925%0.25SC*.THydrogen-bonded Turntrans51.541.3179.8-55.60000113.5Q58S56-Q58 PolarHBondContact O-N 2.92Å
57G90.4Very high92.9Very high55 Ų5545.6 Ų45.657%0.56724%0.239SC*.THydrogen-bonded Turntrans75.6-2.2-177.400000115.1V55V55-G57 PolarHBondContact O-N 3.03Å
58Q91.7Very high92.5Very high60 Ų6042.3 Ų42.328%0.2822%0.223SC..EExtended strand (participates in β ladder)trans-95.3129.8175.6-64.3-63-1300111.1S9 Y10 E54 V55 S56 I60 Y173S9-Q58 PolarHBondContact OG-OE1 3.02Å; Y10-Q58 HydrophobicContact CE2-CG 4.36Å; E54-Q58 WeakPolarHBondContact CA-O 2.99Å; V55-Q58 PolarHBondContact N-O 3.25Å; V55-Q58 WeakPolarHBondContact O-CB 3.49Å; V55-Q58 PolarHBondContact O-N 2.99Å; S56-Q58 PolarHBondContact O-N 2.92Å; Q58-I60 HydrophobicContact CB-CG1 4.46Å; Q58-Y173 HydrophobicContact CB-CE2 4.27Å; Q58-Y173 HydrophobicContact CG-CE2 3.78Å; Q58-Y173 VanDerWaalsContact CG-OH 3.3Å; Q58-Y173 WeakPolarHBondContact CG-OH 3.42Å
59K94.2Very high91.7Very high85 Ų8538 Ų3837%0.3721%0.208SC..EExtended strand (participates in β ladder)trans-80.2123170.5-71.7-175.8178.7-173.10109.9N7 Y8 S9 Y10 I52 I53N7-K59 WeakPolarHBondContact O-CD 3.33Å; Y8-K59 WeakPolarHBondContact CA-O 3.43Å; Y8-K59 WeakPolarHBondContact CB-O 3.28Å; S9-K59 PolarHBondContact N-O 3.22Å; Y10-K59 PolarHBondContact N-O 2.99Å; I52-K59 HydrophobicContact CG2-CB 4.18Å; I53-K59 CarbonylContact O-C 3.57Å; I53-K59 WeakPolarHBondContact O-CA 3.36Å
60I95.3Very high90.7Very high0 Ų039.7 Ų39.70%021%0.213CC..EExtended strand (participates in β ladder)trans-123.3124.3-176.1-54.3-178.5000108.4Y10 F12 I52 I53 V55 Q58 L62 Y173Y10-I60 HydrophobicContact CD2-CG1 4.47Å; Y10-I60 WeakPolarHBondContact O-CA 3.3Å; F12-I60 HydrophobicContact CB-CG2 4.37Å; F12-I60 HydrophobicContact CD1-CG2 4.06Å; F12-I60 HydrophobicContact CD2-CD1 4.46Å; F12-I60 HydrophobicContact CD2-CG2 3.59Å; F12-I60 HydrophobicContact CE1-CG2 4.21Å; F12-I60 HydrophobicContact CE2-CD1 3.65Å; F12-I60 HydrophobicContact CE2-CG2 3.79Å; F12-I60 HydrophobicContact CG-CG2 3.73Å; F12-I60 HydrophobicContact CZ-CD1 3.77Å; F12-I60 HydrophobicContact CZ-CG2 4.09Å; I52-I60 CarbonylContact C-O 3.58Å; I52-I60 WeakPolarHBondContact CA-O 3.44Å; I53-I60 HydrophobicContact CG1-CB 4.2Å; I53-I60 PolarHBondContact N-O 2.88Å; I53-I60 PolarHBondContact O-N 3.09Å; V55-I60 HydrophobicContact CB-CD1 3.78Å; V55-I60 HydrophobicContact CG1-CD1 4.45Å; V55-I60 HydrophobicContact CG2-CD1 4.04Å; Q58-I60 HydrophobicContact CB-CG1 4.46Å; I60-L62 HydrophobicContact CG2-CD2 4.11Å; I60-Y173 HydrophobicContact CD1-CD2 4.41Å
61K95.7Very high89Confident50 Ų5043 Ų4322%0.21722%0.224CC..EExtended strand (participates in β ladder)trans-86.4112.6171.7-176.4174.9-178.3175.60109.5Y8 Y10 I11 F12 T50 I52Y8-K61 HydrophobicContact CD1-CB 4.04Å; Y8-K61 HydrophobicContact CD1-CD 4.24Å; Y8-K61 HydrophobicContact CD2-CB 3.79Å; Y8-K61 HydrophobicContact CE1-CB 4.2Å; Y8-K61 HydrophobicContact CE1-CD 3.6Å; Y8-K61 HydrophobicContact CE1-CG 4.48Å; Y8-K61 HydrophobicContact CE2-CB 3.94Å; Y8-K61 HydrophobicContact CE2-CD 4.09Å; Y8-K61 HydrophobicContact CG-CB 3.84Å; Y8-K61 VanDerWaalsContact CZ-CD 3.48Å; Y10-K61 PolarHBondContact O-N 3.09Å; I11-K61 CarbonylContact C-O 3.6Å; I11-K61 VanDerWaalsContact CA-O 3.27Å; I11-K61 WeakPolarHBondContact CA-O 3.5Å; I11-K61 HydrophobicContact CG1-CB 4.32Å; F12-K61 PolarHBondContact N-O 3.49Å; T50-K61 WeakPolarHBondContact OG1-CE 3.48Å; I52-K61 HydrophobicContact CG1-CB 4.06Å; I52-K61 HydrophobicContact CG1-CG 4.18Å
62L96.9Very high87.6Confident0 Ų049 Ų490%025%0.247CC..EExtended strand (participates in β ladder)trans-79.5132168.4-58.8-171.4000109.7F12 Y14 F31 T50 R51 I53 I60 I64 F165F12-L62 HydrophobicContact CB-CD2 3.85Å; F12-L62 HydrophobicContact CD2-CD2 4.15Å; F12-L62 HydrophobicContact CG-CD2 4.41Å; Y14-L62 HydrophobicContact CD2-CD1 4.34Å; Y14-L62 HydrophobicContact CE1-CD2 4.1Å; Y14-L62 HydrophobicContact CE2-CD1 3.92Å; Y14-L62 HydrophobicContact CE2-CD2 4.22Å; F31-L62 HydrophobicContact CE1-CD1 3.99Å; F31-L62 HydrophobicContact CZ-CD1 3.91Å; T50-L62 VanDerWaalsContact CA-O 3.24Å; T50-L62 WeakPolarHBondContact CA-O 3.27Å; T50-L62 WeakPolarHBondContact CB-O 3.25Å; T50-L62 PolarHBondContact OG1-O 3.22Å; R51-L62 PolarHBondContact N-O 2.81Å; R51-L62 PolarHBondContact O-N 2.82Å; I53-L62 HydrophobicContact CD1-CD1 3.74Å; I53-L62 HydrophobicContact CD1-CD2 4.16Å; I53-L62 HydrophobicContact CD1-CG 3.94Å; I53-L62 HydrophobicContact CG1-CD1 4.31Å; I53-L62 HydrophobicContact CG1-CG 4.11Å; I53-L62 HydrophobicContact CG2-CD1 4.49Å; I60-L62 HydrophobicContact CG2-CD2 4.11Å; L62-I64 HydrophobicContact CB-CD1 4.2Å; L62-I64 HydrophobicContact CB-CG1 4.08Å; L62-F165 HydrophobicContact CD1-CB 4.17Å; L62-F165 HydrophobicContact CD1-CD1 4.33Å
63Q95.4Very high86.1Confident44 Ų4449.3 Ų49.321%0.20625%0.247CC..EExtended strand (participates in β ladder)trans-112.3106.8169.1-77.6-170.3-25.800107.8I11 F12 K13 Y14 F48I11-Q63 HydrophobicContact CG2-CB 4.44Å; I11-Q63 HydrophobicContact CG2-CG 3.74Å; F12-Q63 PolarHBondContact O-N 2.81Å; K13-Q63 CarbonylContact C-O 3.56Å; K13-Q63 WeakPolarHBondContact CA-O 3.24Å; Y14-Q63 PolarHBondContact N-O 3.48Å; F48-Q63 HydrophobicContact CE2-CB 3.84Å; F48-Q63 HydrophobicContact CE2-CG 4.05Å; F48-Q63 HydrophobicContact CZ-CB 4.19Å; F48-Q63 HydrophobicContact CZ-CG 3.91Å
64I95.7Very high84.6Confident0 Ų051.8 Ų51.80%026%0.255CS..EExtended strand (participates in β ladder)trans-111.1122.2-168.4-53.6156.9000108.4Y14 I16 L28 F31 F48 G49 L62 F165Y14-I64 HydrophobicContact CD2-CG1 4.48Å; I16-I64 HydrophobicContact CD1-CG2 3.68Å; I16-I64 HydrophobicContact CG1-CG2 3.71Å; L28-I64 HydrophobicContact CD1-CB 3.81Å; L28-I64 HydrophobicContact CD1-CD1 4.01Å; L28-I64 HydrophobicContact CD1-CG2 3.66Å; F31-I64 HydrophobicContact CD1-CD1 3.64Å; F31-I64 HydrophobicContact CE1-CD1 3.67Å; F48-I64 WeakPolarHBondContact CA-O 3.28Å; G49-I64 PolarHBondContact N-O 2.93Å; G49-I64 PolarHBondContact O-N 2.88Å; L62-I64 HydrophobicContact CB-CD1 4.2Å; L62-I64 HydrophobicContact CB-CG1 4.08Å; I64-F165 HydrophobicContact CD1-CD1 3.82Å; I64-F165 HydrophobicContact CD1-CE1 3.57Å; I64-F165 HydrophobicContact CG1-CD1 4.4Å; I64-F165 HydrophobicContact CG1-CE1 4.12Å; I64-F165 HydrophobicContact CG2-CE1 4.07Å
65W93.6Very high83.2Confident65 Ų6549.2 Ų49.225%0.24626%0.255CS..EExtended strand (participates in β ladder)trans-103.5104.3176.4-59.389000108.6Y14 I15 I16 V46 E47 F48 Y80Y14-W65 PolarHBondContact O-N 2.92Å; I15-W65 WeakPolarHBondContact CA-O 3.46Å; I15-W65 HydrophobicContact CG2-CB 4.4Å; I16-W65 PolarHBondContact N-O 2.91Å; V46-W65 HydrophobicContact CG1-CB 4.2Å; V46-W65 HydrophobicContact CG1-CE3 3.73Å; E47-W65 WeakPolarHBondContact O-CA 3.48Å; F48-W65 HydrophobicContact CB-CE3 4.29Å; F48-W65 HydrophobicContact CB-CZ3 4.25Å; F48-W65 AromaticContact CD2-CD2 3.83Å; F48-W65 HydrophobicContact CD2-CD2 3.83Å; F48-W65 AromaticContact CD2-CE2 3.75Å; F48-W65 AromaticContact CD2-CE3 3.9Å; F48-W65 HydrophobicContact CD2-CE3 3.9Å; F48-W65 HydrophobicContact CD2-CG 4.49Å; F48-W65 AromaticContact CD2-CH2 3.97Å; F48-W65 HydrophobicContact CD2-CH2 3.97Å; F48-W65 AromaticContact CD2-CZ2 3.85Å; F48-W65 HydrophobicContact CD2-CZ2 3.85Å; F48-W65 AromaticContact CD2-CZ3 3.98Å; F48-W65 HydrophobicContact CD2-CZ3 3.98Å; F48-W65 HydrophobicContact CE2-CD2 4.46Å; F48-W65 AromaticContact CE2-CE2 3.96Å; F48-W65 HydrophobicContact CE2-CH2 4.44Å; F48-W65 AromaticContact CE2-CZ2 3.97Å; F48-W65 HydrophobicContact CE2-CZ2 3.97Å; F48-W65 HydrophobicContact CG-CZ3 4.43Å; W65-Y80 HydrophobicContact CB-CD1 4.26Å; W65-Y80 AromaticContact CD2-CD1 3.75Å; W65-Y80 HydrophobicContact CD2-CD1 3.75Å; W65-Y80 AromaticContact CD2-CE1 3.98Å; W65-Y80 HydrophobicContact CD2-CE1 3.98Å; W65-Y80 AromaticContact CE3-CD1 3.61Å; W65-Y80 HydrophobicContact CE3-CD1 3.61Å; W65-Y80 AromaticContact CE3-CE1 3.35Å; W65-Y80 HydrophobicContact CE3-CE1 3.35Å; W65-Y80 HydrophobicContact CG-CD1 4.07Å; W65-Y80 HydrophobicContact CH2-CE1 4.3Å; W65-Y80 HydrophobicContact CZ3-CD1 4.19Å; W65-Y80 AromaticContact CZ3-CE1 3.55Å; W65-Y80 HydrophobicContact CZ3-CE1 3.55Å
66D90.1Very high81.7Confident0 Ų052.3 Ų52.30%027%0.274CS..EExtended strand (participates in β ladder)trans-81.2126.4170.5175.241.5000109.4I16 K24 S25 L28 V46 E47I16-D66 HydrophobicContact CD1-CB 4.44Å; K24-D66 WeakPolarHBondContact CB-OD1 3.36Å; S25-D66 WeakPolarHBondContact CA-OD2 3.43Å; S25-D66 WeakPolarHBondContact CB-OD2 3.45Å; S25-D66 PolarHBondContact OG-OD2 2.85Å; L28-D66 HydrophobicContact CD2-CB 3.65Å; V46-D66 CarbonylContact C-O 3.49Å; V46-D66 VanDerWaalsContact CA-O 3.24Å; V46-D66 WeakPolarHBondContact CA-O 3.29Å; V46-D66 VanDerWaalsContact CG1-O 3.25Å; V46-D66 WeakPolarHBondContact CG1-O 3.39Å; E47-D66 HydrophobicContact CB-CB 4.25Å; E47-D66 PolarHBondContact N-O 2.71Å; E47-D66 PolarHBondContact O-N 2.88Å
67T82.9Confident80.8Confident1 Ų147.8 Ų47.81%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-110.5145.7-171.667.80000111.7I16 K24 V46 G69 T77I16-T67 PolarHBondContact O-N 2.85Å; I16-T67 PolarHBondContact O-OG1 2.76Å; K24-T67 WeakPolarHBondContact CE-O 3.37Å; V46-T67 HydrophobicContact CG2-CG2 4.44Å; T67-G69 PolarHBondContact O-N 2.88Å; T67-T77 HydrophobicContact CG2-CG2 3.94Å
68A79.6Confident80.1Confident2 Ų251.1 Ų51.12%0.01724%0.238CC..  trans-59.8129.8171.800000111.1T43 G45 F73T43-A68 VanDerWaalsContact O-CB 3.3Å; T43-A68 WeakPolarHBondContact O-CB 3.49Å; G45-A68 VanDerWaalsContact O-CB 3.28Å; G45-A68 WeakPolarHBondContact O-CB 3.1Å; G45-A68 PolarHBondContact O-N 2.87Å; A68-F73 HydrophobicContact CB-CB 3.91Å; A68-F73 HydrophobicContact CB-CD2 3.72Å; A68-F73 HydrophobicContact CB-CG 4.14Å
69G72.2Confident79.6Confident11 Ų1152 Ų5211%0.11325%0.251CS..  trans-87.63.4-179.400000115.2G18 M20 T67G18-G69 WeakPolarHBondContact O-CA 3.2Å; M20-G69 PolarHBondContact N-O 2.97Å; T67-G69 PolarHBondContact O-N 2.88Å
70Q72.5Confident79.2Confident43 Ų4350.8 Ų50.820%0.20124%0.244CC..SBendtrans-79.8140.8176.8-69.5-168.638.600111M20 R72 F73 R74M20-Q70 HydrophobicContact CB-CG 4.42Å; M20-Q70 HydrophobicContact CG-CG 4.33Å; M20-Q70 HydrophobicContact SD-CG 3.36Å; M20-Q70 WeakPolarHBondContact SD-CG 3.33Å; M20-Q70 PolarHBondContact SD-NE2 2.97Å; M20-Q70 VanDerWaalsContact SD-NE2 3.45Å; Q70-R72 VanDerWaalsContact C-N 3.27Å; Q70-R72 PolarHBondContact O-N 2.87Å; Q70-R72 VanDerWaalsContact OE1-NH2 3.13Å; Q70-F73 HydrophobicContact CB-CD2 3.82Å; Q70-F73 HydrophobicContact CB-CE2 4.33Å; Q70-F73 HydrophobicContact CG-CD2 4.48Å; Q70-F73 PolarHBondContact O-N 3.06Å; Q70-R74 PolarHBondContact O-N 3.36Å
71E59.1Low78.9Confident131 Ų13151 Ų5161%0.61225%0.245SC*.G310 helixtrans-52.4-44.9177.2-174.3-78.3162.100112.1F73 R74E71-F73 PolarHBondContact O-N 3.21Å; E71-R74 VanDerWaalsContact O-CB 3.28Å; E71-R74 WeakPolarHBondContact O-CB 3.3Å; E71-R74 WeakPolarHBondContact O-CG 3.23Å; E71-R74 PolarHBondContact O-N 2.92Å
72R63.7Low78.6Confident190 Ų19056.6 Ų56.672%0.71727%0.265SS*.G310 helixtrans-60.3-17.4179.9-65.6-176.3-67-177.6-1.6114Q70Q70-R72 VanDerWaalsContact C-N 3.27Å; Q70-R72 PolarHBondContact O-N 2.87Å; Q70-R72 VanDerWaalsContact OE1-NH2 3.13Å
73F65.3Low78.1Confident58 Ų5857.1 Ų57.125%0.25427%0.27SS..G310 helixtrans-103.8-0.2177-59.3-49.6000113.7I44 A68 Q70 E71 A75 V76 T77I44-F73 HydrophobicContact CG2-CZ 4.21Å; A68-F73 HydrophobicContact CB-CB 3.91Å; A68-F73 HydrophobicContact CB-CD2 3.72Å; A68-F73 HydrophobicContact CB-CG 4.14Å; Q70-F73 HydrophobicContact CB-CD2 3.82Å; Q70-F73 HydrophobicContact CB-CE2 4.33Å; Q70-F73 HydrophobicContact CG-CD2 4.48Å; Q70-F73 PolarHBondContact O-N 3.06Å; E71-F73 PolarHBondContact O-N 3.21Å; F73-A75 PolarHBondContact O-N 2.81Å; F73-A75 VanDerWaalsContact O-N 3.12Å; F73-V76 WeakPolarHBondContact O-CA 3.25Å; F73-V76 WeakPolarHBondContact O-CB 3.42Å; F73-V76 PolarHBondContact O-N 3.06Å; F73-T77 PolarHBondContact O-N 3.01Å; F73-T77 VanDerWaalsContact O-N 3.11Å; F73-T77 PolarHBondContact O-OG1 3.42Å
74R64.3Low78.1Confident62 Ų6255 Ų5523%0.23426%0.26CS..Hα-helixtrans-53.7-36.4179.4-79.7-179.9175.4-178.4-4.4112.8Q70 E71 V76 T77 R78Q70-R74 PolarHBondContact O-N 3.36Å; E71-R74 VanDerWaalsContact O-CB 3.28Å; E71-R74 WeakPolarHBondContact O-CB 3.3Å; E71-R74 WeakPolarHBondContact O-CG 3.23Å; E71-R74 PolarHBondContact O-N 2.92Å; R74-V76 VanDerWaalsContact C-N 3.3Å; R74-V76 PolarHBondContact O-N 3.2Å; R74-T77 WeakPolarHBondContact O-CB 3.28Å; R74-T77 PolarHBondContact O-N 3.45Å; R74-R78 WeakPolarHBondContact O-CG 3.25Å; R74-R78 PolarHBondContact O-N 3.15Å
75A64.3Low78Confident72 Ų7255.2 Ų55.260%0.59526%0.262SS*.Hα-helixtrans-60.3-38.6176.200000112.8F73F73-A75 PolarHBondContact O-N 2.81Å; F73-A75 VanDerWaalsContact O-N 3.12Å
76V62.5Low78.2Confident70 Ų7052.1 Ų52.142%0.42425%0.25SC..Hα-helixtrans-67.8-44.7175-179.30000109.6V46 F73 R74 R78 S79 Y80V46-V76 HydrophobicContact CG2-CG1 4.4Å; F73-V76 WeakPolarHBondContact O-CA 3.25Å; F73-V76 WeakPolarHBondContact O-CB 3.42Å; F73-V76 PolarHBondContact O-N 3.06Å; R74-V76 VanDerWaalsContact C-N 3.3Å; R74-V76 PolarHBondContact O-N 3.2Å; V76-R78 VanDerWaalsContact C-N 3.28Å; V76-R78 PolarHBondContact O-N 3.48Å; V76-S79 PolarHBondContact O-N 3.2Å; V76-S79 PolarHBondContact O-OG 2.96Å; V76-Y80 HydrophobicContact CG1-CE2 4.06Å; V76-Y80 VanDerWaalsContact O-CD2 3.31Å; V76-Y80 WeakPolarHBondContact O-CD2 3.42Å
77T71.1Confident78.5Confident4 Ų452.1 Ų52.13%0.02525%0.25CC..Hα-helixtrans-55.7-39.6177.1-48.80000112.4T67 F73 R74 S79 Y80 Y81T67-T77 HydrophobicContact CG2-CG2 3.94Å; F73-T77 PolarHBondContact O-N 3.01Å; F73-T77 VanDerWaalsContact O-N 3.11Å; F73-T77 PolarHBondContact O-OG1 3.42Å; R74-T77 WeakPolarHBondContact O-CB 3.28Å; R74-T77 PolarHBondContact O-N 3.45Å; T77-S79 PolarHBondContact O-N 2.89Å; T77-S79 VanDerWaalsContact O-N 3.12Å; T77-Y80 PolarHBondContact O-N 3.25Å; T77-Y81 HydrophobicContact CG2-CD2 4.29Å; T77-Y81 HydrophobicContact CG2-CE2 3.58Å; T77-Y81 VanDerWaalsContact O-CD2 3.24Å; T77-Y81 WeakPolarHBondContact O-CD2 3.33Å
78R76.6Confident79.2Confident125 Ų12552 Ų5247%0.47225%0.25SC..Hα-helixtrans-52.1-37.5179.9-71.7-164.7174.9110.82.6113.6R74 V76 Y80 Y81 L112R74-R78 WeakPolarHBondContact O-CG 3.25Å; R74-R78 PolarHBondContact O-N 3.15Å; V76-R78 VanDerWaalsContact C-N 3.28Å; V76-R78 PolarHBondContact O-N 3.48Å; R78-Y80 VanDerWaalsContact C-N 3.26Å; R78-Y80 PolarHBondContact O-N 3Å; R78-Y81 PolarHBondContact O-N 3.1Å; R78-L112 HydrophobicContact CB-CD1 4.21Å; R78-L112 HydrophobicContact CG-CD1 3.71Å
79S81.4Confident80.1Confident79 Ų7952 Ų5255%0.55225%0.249SC*.Hα-helixtrans-66.4-26.9-179.869.30000113.5V76 T77V76-S79 PolarHBondContact O-N 3.2Å; V76-S79 PolarHBondContact O-OG 2.96Å; T77-S79 PolarHBondContact O-N 2.89Å; T77-S79 VanDerWaalsContact O-N 3.12Å
80Y85.9Confident81.3Confident59 Ų5951.5 Ų51.523%0.23124%0.244CC..Hα-helixtrans-84.4-22.8-177.2-67.6-85.5000113.3K13 I15 V46 W65 V76 T77 R78 R82K13-Y80 WeakPolarHBondContact CE-O 2.87Å; K13-Y80 PolarHBondContact NZ-O 2.81Å; I15-Y80 WeakPolarHBondContact CG2-O 3.43Å; V46-Y80 HydrophobicContact CB-CE1 4.29Å; V46-Y80 HydrophobicContact CB-CE2 4.06Å; V46-Y80 HydrophobicContact CG1-CD1 4.09Å; V46-Y80 HydrophobicContact CG1-CE1 3.78Å; V46-Y80 HydrophobicContact CG1-CE2 4.26Å; V46-Y80 HydrophobicContact CG1-CG 4.44Å; V46-Y80 HydrophobicContact CG2-CD2 3.76Å; V46-Y80 HydrophobicContact CG2-CE1 4.36Å; V46-Y80 HydrophobicContact CG2-CE2 3.33Å; V46-Y80 HydrophobicContact CG2-CG 4.43Å; W65-Y80 HydrophobicContact CB-CD1 4.26Å; W65-Y80 AromaticContact CD2-CD1 3.75Å; W65-Y80 HydrophobicContact CD2-CD1 3.75Å; W65-Y80 AromaticContact CD2-CE1 3.98Å; W65-Y80 HydrophobicContact CD2-CE1 3.98Å; W65-Y80 AromaticContact CE3-CD1 3.61Å; W65-Y80 HydrophobicContact CE3-CD1 3.61Å; W65-Y80 AromaticContact CE3-CE1 3.35Å; W65-Y80 HydrophobicContact CE3-CE1 3.35Å; W65-Y80 HydrophobicContact CG-CD1 4.07Å; W65-Y80 HydrophobicContact CH2-CE1 4.3Å; W65-Y80 HydrophobicContact CZ3-CD1 4.19Å; W65-Y80 AromaticContact CZ3-CE1 3.55Å; W65-Y80 HydrophobicContact CZ3-CE1 3.55Å; V76-Y80 HydrophobicContact CG1-CE2 4.06Å; V76-Y80 VanDerWaalsContact O-CD2 3.31Å; V76-Y80 WeakPolarHBondContact O-CD2 3.42Å; T77-Y80 PolarHBondContact O-N 3.25Å; R78-Y80 VanDerWaalsContact C-N 3.26Å; R78-Y80 PolarHBondContact O-N 3Å; Y80-R82 VanDerWaalsContact C-N 3.28Å; Y80-R82 PolarHBondContact O-N 3.12Å
81Y88.9Confident82.6Confident4 Ų449.4 Ų49.42%0.01623%0.234CC..Hα-helixtrans-59.9-38.1175.4-76.1-89.9000112.6I15 I17 T77 R78 G83 A84 A109 L112 T113I15-Y81 HydrophobicContact CD1-CD1 3.25Å; I15-Y81 HydrophobicContact CD1-CE1 3.63Å; I15-Y81 HydrophobicContact CD1-CG 3.86Å; I17-Y81 HydrophobicContact CD1-CE1 4.02Å; I17-Y81 HydrophobicContact CG2-CE1 4.03Å; T77-Y81 HydrophobicContact CG2-CD2 4.29Å; T77-Y81 HydrophobicContact CG2-CE2 3.58Å; T77-Y81 VanDerWaalsContact O-CD2 3.24Å; T77-Y81 WeakPolarHBondContact O-CD2 3.33Å; R78-Y81 PolarHBondContact O-N 3.1Å; Y81-G83 PolarHBondContact O-N 3.26Å; Y81-A84 WeakPolarHBondContact O-CB 3.5Å; Y81-A84 PolarHBondContact O-N 3.24Å; Y81-A109 HydrophobicContact CE1-CB 3.99Å; Y81-L112 CarbonylContact C-O 3.48Å; Y81-L112 VanDerWaalsContact CB-CB 3.47Å; Y81-L112 HydrophobicContact CD1-CB 4.15Å; Y81-L112 HydrophobicContact CD2-CB 4.29Å; Y81-L112 HydrophobicContact CD2-CD1 3.82Å; Y81-L112 HydrophobicContact CE2-CD1 4.08Å; Y81-L112 HydrophobicContact CG-CB 3.74Å; Y81-L112 HydrophobicContact CG-CD1 4.11Å; Y81-T113 HydrophobicContact CD1-CG2 3.66Å; Y81-T113 HydrophobicContact CG-CG2 4.35Å
82R87.5Confident84.4Confident168 Ų16843.2 Ų43.263%0.63421%0.205SC*.THydrogen-bonded Turntrans-57.8125.1-176.7-172.7176.2-174167.73.4110.8K13 Y80 A84 E187K13-R82 PolarHBondContact NZ-O 2.9Å; Y80-R82 VanDerWaalsContact C-N 3.28Å; Y80-R82 PolarHBondContact O-N 3.12Å; R82-A84 VanDerWaalsContact C-N 3.31Å; R82-A84 PolarHBondContact O-N 2.74Å; R82-E187 IonicContact CZ-OE1 3.49Å; R82-E187 IonicContact NE-OE1 3.48Å; R82-E187 PolarHBondContact NE-OE1 3.01Å; R82-E187 IonicContact NH2-OE1 2.73Å; R82-E187 PolarHBondContact NH2-OE1 3.12Å
83G88.3Confident86.1Confident11 Ų1134.2 Ų34.211%0.11317%0.171CC..THydrogen-bonded Turntrans69.224.4179.100000114.1K13 Y81 G189K13-G83 WeakPolarHBondContact CD-O 3.41Å; Y81-G83 PolarHBondContact O-N 3.26Å; G83-G189 WeakPolarHBondContact O-CA 3.3Å
84A93.4Very high87.7Confident0 Ų032.7 Ų32.70%017%0.167CC..  trans-75128166.500000110.1I15 Y81 R82 T113 T117I15-A84 HydrophobicContact CD1-CB 4.07Å; I15-A84 HydrophobicContact CG1-CB 4.11Å; I15-A84 HydrophobicContact CG2-CB 3.94Å; Y81-A84 WeakPolarHBondContact O-CB 3.5Å; Y81-A84 PolarHBondContact O-N 3.24Å; R82-A84 VanDerWaalsContact C-N 3.31Å; R82-A84 PolarHBondContact O-N 2.74Å; A84-T113 HydrophobicContact CB-CG2 4.16Å; A84-T117 PolarHBondContact O-OG1 3.48Å
85A95.2Very high89.3Confident4 Ų433.6 Ų33.63%0.03317%0.17CC..SBendtrans-82.5-31.1170.700000111.6F12 K13 V118 I172 V190F12-A85 HydrophobicContact CB-CB 4.47Å; K13-A85 PolarHBondContact O-N 2.98Å; A85-V118 PolarHBondContact O-N 3.29Å; A85-I172 HydrophobicContact CB-CD1 4.02Å; A85-I172 HydrophobicContact CB-CG2 4.35Å; A85-I172 WeakPolarHBondContact O-CD1 3.42Å; A85-V190 HydrophobicContact CB-CG2 3.9Å
86G96.9Very high90.9Very high0 Ų032.9 Ų32.90%015%0.152CC..EExtended strand (participates in β ladder)trans-131.6143.7176.700000112.4K13 Y14 I15 V118K13-G86 PolarHBondContact O-N 3.16Å; Y14-G86 VanDerWaalsContact CA-O 3.29Å; Y14-G86 WeakPolarHBondContact CA-O 3.37Å; I15-G86 PolarHBondContact N-O 3.05Å; G86-V118 CarbonylContact C-O 3.59Å; G86-V118 VanDerWaalsContact CA-O 3.23Å; G86-V118 WeakPolarHBondContact CA-O 3.35Å
87A96.7Very high92.6Very high0 Ų032.4 Ų32.40%015%0.152CC..EExtended strand (participates in β ladder)trans-125122.2171.100000110.3I15 T117 V118 I119 I120I15-A87 HydrophobicContact CD1-CB 4.05Å; I15-A87 HydrophobicContact CG1-CB 3.76Å; I15-A87 WeakPolarHBondContact O-CA 3.41Å; A87-T117 HydrophobicContact CB-CG2 4.27Å; A87-V118 PolarHBondContact N-O 3.04Å; A87-I119 HydrophobicContact CB-CG1 4.24Å; A87-I119 HydrophobicContact CB-CG2 4.46Å; A87-I119 WeakPolarHBondContact O-CA 3.31Å; A87-I120 PolarHBondContact O-N 2.7Å
88L98.2Very high93.8Very high0 Ų032.3 Ų32.30%015%0.151CC..EExtended strand (participates in β ladder)trans-95.3102.9174.3-76.172.6000107.6Y14 I15 I16 I17 I120 I122 F165Y14-L88 HydrophobicContact CD2-CD1 3.38Å; Y14-L88 HydrophobicContact CE2-CD1 3.9Å; Y14-L88 HydrophobicContact CG-CD1 3.99Å; I15-L88 PolarHBondContact O-N 2.99Å; I16-L88 WeakPolarHBondContact CA-O 3.24Å; I16-L88 HydrophobicContact CB-CB 4.46Å; I16-L88 HydrophobicContact CG1-CB 4.32Å; I16-L88 HydrophobicContact CG2-CB 4.1Å; I17-L88 PolarHBondContact N-O 2.91Å; L88-I120 HydrophobicContact CB-CG2 4.29Å; L88-I120 HydrophobicContact CD1-CG2 4.25Å; L88-I120 HydrophobicContact CG-CG2 3.71Å; L88-I122 HydrophobicContact CB-CD1 3.96Å; L88-I122 HydrophobicContact CD2-CD1 3.79Å; L88-I122 HydrophobicContact CG-CD1 3.91Å; L88-F165 HydrophobicContact CD2-CD1 3.76Å; L88-F165 HydrophobicContact CD2-CD2 4.09Å; L88-F165 HydrophobicContact CD2-CE1 3.37Å; L88-F165 HydrophobicContact CD2-CE2 3.77Å; L88-F165 HydrophobicContact CD2-CG 4.1Å; L88-F165 HydrophobicContact CD2-CZ 3.4Å
89M97.5Very high94.9Very high0 Ų028 Ų280%014%0.135CC..EExtended strand (participates in β ladder)trans-94.3114.6179.1-174.3167.868.600109.2I17 L102 W105 L106 I119 I120 L121 I122 F142 L148I17-M89 HydrophobicContact CD1-CB 4.32Å; I17-M89 HydrophobicContact CD1-CG 4.35Å; I17-M89 HydrophobicContact CG1-CB 4.05Å; I17-M89 HydrophobicContact CG1-CG 4.2Å; M89-L102 HydrophobicContact CE-CB 4.46Å; M89-L102 HydrophobicContact CE-CD2 4.05Å; M89-L102 HydrophobicContact CG-CD2 3.68Å; M89-L102 HydrophobicContact SD-CD2 4Å; M89-W105 HydrophobicContact CG-CB 4.24Å; M89-W105 HydrophobicContact SD-CB 3.79Å; M89-L106 HydrophobicContact CE-CB 4.16Å; M89-L106 HydrophobicContact CE-CD1 4.42Å; M89-L106 HydrophobicContact SD-CB 4Å; M89-I119 HydrophobicContact CB-CG2 4.38Å; M89-I120 PolarHBondContact N-O 3.45Å; M89-L121 HydrophobicContact CE-CD1 3.93Å; M89-L121 HydrophobicContact CG-CD1 4.42Å; M89-L121 CarbonylContact O-C 3.59Å; M89-L121 WeakPolarHBondContact O-CA 3.35Å; M89-I122 PolarHBondContact O-N 3.01Å; M89-F142 HydrophobicContact CE-CE1 4.04Å; M89-L148 HydrophobicContact CE-CD1 3.64Å
90V98.3Very high95.7Very high1 Ų128.9 Ų28.91%0.00613%0.134CC..EExtended strand (participates in β ladder)trans-113.9133.2-168.4-169.30000110.9I16 I17 V22 K24 L27 I122 N124I16-V90 HydrophobicContact CG2-CG2 3.66Å; I17-V90 PolarHBondContact O-N 3.04Å; V22-V90 HydrophobicContact CB-CG1 4.23Å; V22-V90 HydrophobicContact CG2-CB 3.89Å; V22-V90 HydrophobicContact CG2-CG1 3.78Å; K24-V90 HydrophobicContact CG-CB 4.22Å; K24-V90 HydrophobicContact CG-CG2 4.27Å; L27-V90 HydrophobicContact CD1-CG1 3.8Å; L27-V90 HydrophobicContact CD1-CG2 3.87Å; V90-I122 WeakPolarHBondContact CA-O 3.4Å; V90-I122 HydrophobicContact CG2-CB 4.37Å; V90-I122 HydrophobicContact CG2-CD1 4.41Å; V90-N124 HydrophobicContact CG1-CB 3.75Å
91Y98.4Very high96.2Very high0 Ų030 Ų300%014%0.141CC..EExtended strand (participates in β ladder)trans-122.9169165.274-78.6000110.6I93 Y99 L102 L121 I122 N124 V134 A139 F150Y91-I93 HydrophobicContact CE2-CB 4.5Å; Y91-I93 HydrophobicContact CE2-CG2 3.9Å; Y91-Y99 HydrophobicContact CD2-CD2 4.47Å; Y91-Y99 HydrophobicContact CE2-CD2 4.48Å; Y91-L102 HydrophobicContact CD1-CD1 3.97Å; Y91-L102 HydrophobicContact CD1-CD2 4.42Å; Y91-L102 HydrophobicContact CG-CD1 4.21Å; Y91-L121 HydrophobicContact CD1-CD1 3.65Å; Y91-L121 HydrophobicContact CD1-CG 4.26Å; Y91-L121 HydrophobicContact CE1-CD1 3.94Å; Y91-L121 HydrophobicContact CE1-CD2 4.33Å; Y91-L121 HydrophobicContact CE1-CG 4.03Å; Y91-I122 WeakPolarHBondContact CD1-O 3.38Å; Y91-I122 PolarHBondContact N-O 3.35Å; Y91-N124 PolarHBondContact O-N 3.29Å; Y91-V134 HydrophobicContact CD2-CG1 4.43Å; Y91-V134 HydrophobicContact CD2-CG2 4.26Å; Y91-V134 HydrophobicContact CE2-CB 3.85Å; Y91-V134 HydrophobicContact CE2-CG1 3.64Å; Y91-V134 HydrophobicContact CE2-CG2 4.09Å; Y91-A139 HydrophobicContact CE1-CB 4.13Å; Y91-A139 WeakPolarHBondContact OH-CB 3.5Å; Y91-F150 HydrophobicContact CE1-CE2 4.25Å
92D98.4Very high96.6Very high1 Ų129.8 Ų29.81%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-104.4121176.4178.9-9.6000109.2V22 T94 R95 T98 K125V22-D92 HydrophobicContact CB-CB 4.25Å; V22-D92 HydrophobicContact CG1-CB 4.1Å; D92-T94 PolarHBondContact O-N 2.98Å; D92-T94 VanDerWaalsContact O-N 3.12Å; D92-T94 PolarHBondContact OD1-N 2.89Å; D92-T94 PolarHBondContact OD1-OG1 3.46Å; D92-T94 VanDerWaalsContact OD1-OG1 3.13Å; D92-R95 HydrophobicContact CB-CB 4.11Å; D92-R95 PolarHBondContact O-N 3.27Å; D92-R95 WeakPolarHBondContact OD2-CD 3.49Å; D92-T98 HydrophobicContact CB-CG2 4.41Å; D92-T98 PolarHBondContact N-OG1 2.9Å; D92-T98 PolarHBondContact O-OG1 2.88Å; D92-K125 WeakPolarHBondContact OD1-CD 3.42Å; D92-K125 WeakPolarHBondContact OD2-CD 3.46Å; D92-K125 WeakPolarHBondContact OD2-CE 3.24Å; D92-K125 IonicContact OD2-NZ 2.7Å; D92-K125 PolarHBondContact OD2-NZ 3.45Å
93I98.7Very high97Very high0 Ų025 Ų250%013%0.132CC..THydrogen-bonded Turntrans-62.3-21-177.167.4156.3000113Y91 N124 K125 R132 D133 V134Y91-I93 HydrophobicContact CE2-CB 4.5Å; Y91-I93 HydrophobicContact CE2-CG2 3.9Å; I93-N124 PolarHBondContact N-O 2.84Å; I93-N124 VanDerWaalsContact N-O 3.08Å; I93-K125 WeakPolarHBondContact CD1-O 3.34Å; I93-K125 WeakPolarHBondContact CG1-O 3.38Å; I93-R132 HydrophobicContact CD1-CB 4.49Å; I93-D133 PolarHBondContact O-N 3.49Å; I93-V134 PolarHBondContact O-N 2.91Å
94T98.4Very high97.3Very high27 Ų2726.7 Ų26.717%0.16614%0.143CC..THydrogen-bonded Turntrans-93.43.7179.9830000112.7D92 L128 Q131D92-T94 PolarHBondContact O-N 2.98Å; D92-T94 VanDerWaalsContact O-N 3.12Å; D92-T94 PolarHBondContact OD1-N 2.89Å; D92-T94 PolarHBondContact OD1-OG1 3.46Å; D92-T94 VanDerWaalsContact OD1-OG1 3.13Å; T94-L128 HydrophobicContact CG2-CB 3.56Å; T94-L128 HydrophobicContact CG2-CD1 3.95Å; T94-L128 HydrophobicContact CG2-CG 4.41Å; T94-Q131 WeakPolarHBondContact CA-O 3.29Å; T94-Q131 VanDerWaalsContact CB-O 3.24Å; T94-Q131 WeakPolarHBondContact CB-O 3.31Å; T94-Q131 HydrophobicContact CG2-CB 3.84Å
95R98.2Very high97.3Very high81 Ų8126.8 Ų26.831%0.30614%0.143SC..  trans-136.194.7-176-74.4174.240.4-163.7-3.5111.9M20 D92 S97 T98M20-R95 PolarHBondContact O-NH1 2.99Å; M20-R95 VanDerWaalsContact O-NH1 3.09Å; M20-R95 PolarHBondContact O-NH2 3.3Å; M20-R95 VanDerWaalsContact O-NH2 3.1Å; D92-R95 HydrophobicContact CB-CB 4.11Å; D92-R95 PolarHBondContact O-N 3.27Å; D92-R95 WeakPolarHBondContact OD2-CD 3.49Å; R95-S97 PolarHBondContact O-N 3.24Å; R95-S97 VanDerWaalsContact O-N 3.09Å; R95-T98 HydrophobicContact CB-CG2 3.9Å; R95-T98 PolarHBondContact O-N 2.91Å; R95-T98 PolarHBondContact O-OG1 3.27Å
96R98.4Very high97.3Very high57 Ų5726.9 Ų26.922%0.21514%0.143CC..Hα-helixtrans-46.1-41175.2-177.852.646.2177.221115.1T98 Y99 N100 D133 E138R96-T98 PolarHBondContact O-N 2.83Å; R96-Y99 WeakPolarHBondContact O-CB 3.3Å; R96-Y99 PolarHBondContact O-N 2.92Å; R96-Y99 VanDerWaalsContact O-N 3.14Å; R96-N100 WeakPolarHBondContact CD-OD1 3.22Å; R96-N100 PolarHBondContact O-N 3.49Å; R96-N100 PolarHBondContact O-OD1 3.31Å; R96-D133 WeakPolarHBondContact CB-OD2 3.28Å; R96-D133 PolarHBondContact N-OD2 2.88Å; R96-D133 IonicContact NE-OD1 2.98Å; R96-D133 PolarHBondContact NH2-O 3.42Å; R96-E138 IonicContact CZ-OE1 3.65Å; R96-E138 IonicContact CZ-OE2 3.35Å; R96-E138 IonicContact NH1-OE1 3.99Å; R96-E138 PolarHBondContact NH1-OE1 3.43Å; R96-E138 IonicContact NH1-OE2 3.52Å; R96-E138 PolarHBondContact NH1-OE2 3.18Å; R96-E138 IonicContact NH2-OE1 3.75Å; R96-E138 PolarHBondContact NH2-OE1 3.03Å; R96-E138 IonicContact NH2-OE2 2.75Å; R96-E138 PolarHBondContact NH2-OE2 3.08Å
97S97.8Very high97.2Very high59 Ų5930.4 Ų30.441%0.41316%0.164SC..Hα-helixtrans-59.2-35.3-178.454.60000112.8R95 Y99 N100 H101R95-S97 PolarHBondContact O-N 3.24Å; R95-S97 VanDerWaalsContact O-N 3.09Å; S97-Y99 VanDerWaalsContact C-N 3.35Å; S97-N100 PolarHBondContact O-N 2.85Å; S97-H101 VanDerWaalsContact O-CG 3.23Å; S97-H101 PolarHBondContact O-N 3.44Å; S97-H101 PolarHBondContact O-ND1 3.47Å
98T97.4Very high97Very high2 Ų231.7 Ų31.71%0.01217%0.171CC..Hα-helixtrans-70.7-34179.368.60000112.3D19 V22 D92 R95 R96D19-T98 HydrophobicContact CB-CG2 3.9Å; V22-T98 HydrophobicContact CG1-CG2 3.71Å; D92-T98 HydrophobicContact CB-CG2 4.41Å; D92-T98 PolarHBondContact N-OG1 2.9Å; D92-T98 PolarHBondContact O-OG1 2.88Å; R95-T98 HydrophobicContact CB-CG2 3.9Å; R95-T98 PolarHBondContact O-N 2.91Å; R95-T98 PolarHBondContact O-OG1 3.27Å; R96-T98 PolarHBondContact O-N 2.83Å
99Y98.5Very high96.8Very high35 Ų3531.7 Ų31.714%0.13717%0.171CC..Hα-helixtrans-67.1-45.9171.2172.5-94.9000111.3Y91 R96 S97 H101 L102 V134 E138 A139 F142Y91-Y99 HydrophobicContact CD2-CD2 4.47Å; Y91-Y99 HydrophobicContact CE2-CD2 4.48Å; R96-Y99 WeakPolarHBondContact O-CB 3.3Å; R96-Y99 PolarHBondContact O-N 2.92Å; R96-Y99 VanDerWaalsContact O-N 3.14Å; S97-Y99 VanDerWaalsContact C-N 3.35Å; Y99-H101 PolarHBondContact O-N 3.16Å; Y99-H101 VanDerWaalsContact O-N 3.13Å; Y99-L102 HydrophobicContact CD2-CD1 3.48Å; Y99-L102 VanDerWaalsContact CD2-CD1 3.48Å; Y99-L102 HydrophobicContact CE2-CD1 3.95Å; Y99-L102 HydrophobicContact CG-CD1 4.2Å; Y99-L102 WeakPolarHBondContact O-CB 3.32Å; Y99-L102 WeakPolarHBondContact O-CG 3.13Å; Y99-L102 PolarHBondContact O-N 2.55Å; Y99-V134 HydrophobicContact CD2-CG1 3.71Å; Y99-V134 HydrophobicContact CE2-CG1 4.21Å; Y99-V134 HydrophobicContact CG-CG1 3.95Å; Y99-V134 HydrophobicContact CG-CG2 4.23Å; Y99-E138 PolarHBondContact OH-O 3.2Å; Y99-A139 HydrophobicContact CD2-CB 4.49Å; Y99-A139 HydrophobicContact CE2-CB 4.09Å; Y99-F142 HydrophobicContact CE2-CB 4.39Å
100N98.1Very high96.7Very high97 Ų9737.4 Ų37.452%0.51919%0.193SC..Hα-helixtrans-60.9-26.5179.4-67-9000112.9R96 S97R96-N100 WeakPolarHBondContact CD-OD1 3.22Å; R96-N100 PolarHBondContact O-N 3.49Å; R96-N100 PolarHBondContact O-OD1 3.31Å; S97-N100 PolarHBondContact O-N 2.85Å
101H96.3Very high96.4Very high83 Ų8343 Ų4338%0.38422%0.223SC..THydrogen-bonded Turntrans-83.1-7.7176.6-61.2156.1000114.1D19 S97 Y99 S103 S104 W105D19-H101 IonicContact OD1-CG 3.18Å; D19-H101 IonicContact OD1-ND1 2.7Å; D19-H101 IonicContact OD2-CE1 3.35Å; D19-H101 IonicContact OD2-CG 2.64Å; D19-H101 IonicContact OD2-ND1 3.39Å; D19-H101 PolarHBondContact OD2-ND1 2.89Å; S97-H101 VanDerWaalsContact O-CG 3.23Å; S97-H101 PolarHBondContact O-N 3.44Å; S97-H101 PolarHBondContact O-ND1 3.47Å; Y99-H101 PolarHBondContact O-N 3.16Å; Y99-H101 VanDerWaalsContact O-N 3.13Å; H101-S103 VanDerWaalsContact C-N 3.27Å; H101-S103 PolarHBondContact O-N 3.33Å; H101-S104 WeakPolarHBondContact O-CB 3.43Å; H101-S104 PolarHBondContact O-N 3.27Å; H101-W105 VanDerWaalsContact O-CD1 3.25Å; H101-W105 PolarHBondContact O-N 3.39Å
102L97.1Very high96.1Very high0 Ų045.8 Ų45.80%024%0.237CC..Hα-helixtrans-56.6-39.1-178.7-73.1173000112.7M89 Y91 Y99 S104 W105 L106 L121 F142M89-L102 HydrophobicContact CE-CB 4.46Å; M89-L102 HydrophobicContact CE-CD2 4.05Å; M89-L102 HydrophobicContact CG-CD2 3.68Å; M89-L102 HydrophobicContact SD-CD2 4Å; Y91-L102 HydrophobicContact CD1-CD1 3.97Å; Y91-L102 HydrophobicContact CD1-CD2 4.42Å; Y91-L102 HydrophobicContact CG-CD1 4.21Å; Y99-L102 HydrophobicContact CD2-CD1 3.48Å; Y99-L102 VanDerWaalsContact CD2-CD1 3.48Å; Y99-L102 HydrophobicContact CE2-CD1 3.95Å; Y99-L102 HydrophobicContact CG-CD1 4.2Å; Y99-L102 WeakPolarHBondContact O-CB 3.32Å; Y99-L102 WeakPolarHBondContact O-CG 3.13Å; Y99-L102 PolarHBondContact O-N 2.55Å; L102-S104 VanDerWaalsContact C-N 3.27Å; L102-S104 PolarHBondContact O-N 2.85Å; L102-W105 PolarHBondContact O-N 2.81Å; L102-W105 VanDerWaalsContact O-N 3.15Å; L102-L106 VanDerWaalsContact O-CB 3.31Å; L102-L106 WeakPolarHBondContact O-CB 3.07Å; L102-L106 PolarHBondContact O-N 3.34Å; L102-L121 HydrophobicContact CD1-CD1 3.7Å; L102-L121 HydrophobicContact CD1-CD2 4.26Å; L102-L121 HydrophobicContact CD2-CD1 3.58Å; L102-L121 HydrophobicContact CG-CD1 4.28Å; L102-F142 HydrophobicContact CB-CE1 4.03Å; L102-F142 HydrophobicContact CB-CZ 3.86Å; L102-F142 HydrophobicContact CD1-CD1 4.45Å; L102-F142 HydrophobicContact CD1-CE1 4.31Å
103S96.5Very high95.8Very high66 Ų6646.5 Ų46.546%0.46224%0.242SC..Hα-helixtrans-58.5-40.3177.1-57.90000112H101 L106 T107H101-S103 VanDerWaalsContact C-N 3.27Å; H101-S103 PolarHBondContact O-N 3.33Å; S103-L106 PolarHBondContact O-N 3.09Å; S103-T107 PolarHBondContact O-N 3.17Å; S103-T107 PolarHBondContact O-OG1 2.87Å
104S94Very high95.3Very high48 Ų4847.4 Ų47.434%0.33625%0.247SC..Hα-helixtrans-66.1-44.2176.2-177.10000111.4H101 L102 L106 T107 D108H101-S104 WeakPolarHBondContact O-CB 3.43Å; H101-S104 PolarHBondContact O-N 3.27Å; L102-S104 VanDerWaalsContact C-N 3.27Å; L102-S104 PolarHBondContact O-N 2.85Å; S104-L106 VanDerWaalsContact C-N 3.32Å; S104-L106 PolarHBondContact O-N 3.43Å; S104-T107 PolarHBondContact O-N 2.98Å; S104-D108 PolarHBondContact O-N 3.39Å; S104-D108 VanDerWaalsContact O-N 3.08Å
105W94Very high94.8Very high2 Ų252.4 Ų52.41%0.00828%0.279CS..Hα-helixtrans-64.5-37.7177.9-72.4113000112.2I17 G18 D19 M89 H101 L102 D108 A109I17-W105 HydrophobicContact CB-CE3 4.03Å; I17-W105 HydrophobicContact CB-CZ3 4.32Å; I17-W105 HydrophobicContact CD1-CB 4.37Å; G18-W105 VanDerWaalsContact C-CZ2 3.44Å; G18-W105 WeakPolarHBondContact O-CZ2 3.36Å; D19-W105 PolarHBondContact OD1-NE1 3.5Å; M89-W105 HydrophobicContact CG-CB 4.24Å; M89-W105 HydrophobicContact SD-CB 3.79Å; H101-W105 VanDerWaalsContact O-CD1 3.25Å; H101-W105 PolarHBondContact O-N 3.39Å; L102-W105 PolarHBondContact O-N 2.81Å; L102-W105 VanDerWaalsContact O-N 3.15Å; W105-D108 PolarHBondContact O-N 2.88Å; W105-A109 WeakPolarHBondContact O-CB 3.35Å; W105-A109 PolarHBondContact O-N 2.85Å
106L96Very high94.4Very high5 Ų552.1 Ų52.13%0.02628%0.284CS..Hα-helixtrans-68.6-42.6177.4-179.759.6000111.9M89 L102 S103 S104 D108 A109 R110 I119 F142 N146 L148M89-L106 HydrophobicContact CE-CB 4.16Å; M89-L106 HydrophobicContact CE-CD1 4.42Å; M89-L106 HydrophobicContact SD-CB 4Å; L102-L106 VanDerWaalsContact O-CB 3.31Å; L102-L106 WeakPolarHBondContact O-CB 3.07Å; L102-L106 PolarHBondContact O-N 3.34Å; S103-L106 PolarHBondContact O-N 3.09Å; S104-L106 VanDerWaalsContact C-N 3.32Å; S104-L106 PolarHBondContact O-N 3.43Å; L106-D108 VanDerWaalsContact C-N 3.35Å; L106-A109 PolarHBondContact O-N 3.34Å; L106-R110 HydrophobicContact CD1-CG 4.15Å; L106-R110 WeakPolarHBondContact O-CG 3.45Å; L106-R110 PolarHBondContact O-N 3.31Å; L106-I119 HydrophobicContact CD1-CD1 3.83Å; L106-F142 HydrophobicContact CD2-CE1 4.46Å; L106-F142 HydrophobicContact CD2-CZ 4.11Å; L106-N146 HydrophobicContact CD2-CB 3.81Å; L106-N146 VanDerWaalsContact CD2-OD1 3.31Å; L106-N146 WeakPolarHBondContact CD2-OD1 3.42Å; L106-L148 HydrophobicContact CD1-CD1 4.29Å; L106-L148 HydrophobicContact CD1-CD2 3.81Å; L106-L148 HydrophobicContact CD2-CD1 4.35Å
107T95.1Very high94.2Very high75 Ų7550.1 Ų50.146%0.4628%0.278SS..Hα-helixtrans-59.1-47173.7-62.60000111S103 S104 A109 R110 N111S103-T107 PolarHBondContact O-N 3.17Å; S103-T107 PolarHBondContact O-OG1 2.87Å; S104-T107 PolarHBondContact O-N 2.98Å; T107-A109 PolarHBondContact O-N 3.27Å; T107-R110 PolarHBondContact O-N 2.82Å; T107-N111 WeakPolarHBondContact CG2-ND2 3.36Å; T107-N111 VanDerWaalsContact O-CB 3.29Å; T107-N111 WeakPolarHBondContact O-CB 3.41Å; T107-N111 PolarHBondContact O-N 2.7Å; T107-N111 PolarHBondContact O-ND2 2.9Å
108D92.2Very high94.2Very high26 Ų2647.9 Ų47.914%0.13926%0.262CS..Hα-helixtrans-61.9-43.6176.6-79.7-23.1000111.4S104 W105 L106 N111 L112S104-D108 PolarHBondContact O-N 3.39Å; S104-D108 VanDerWaalsContact O-N 3.08Å; W105-D108 PolarHBondContact O-N 2.88Å; L106-D108 VanDerWaalsContact C-N 3.35Å; D108-N111 PolarHBondContact O-N 3.36Å; D108-L112 HydrophobicContact CB-CD1 4.3Å; D108-L112 WeakPolarHBondContact O-CB 3.42Å; D108-L112 WeakPolarHBondContact O-CG 2.89Å; D108-L112 PolarHBondContact O-N 2.87Å
109A93.4Very high94.3Very high0 Ų048.5 Ų48.50%027%0.265CS..Hα-helixtrans-58.9-55.1176.700000111.7I17 Y81 W105 L106 T107 N111 L112 T113 I119I17-A109 HydrophobicContact CD1-CB 3.97Å; Y81-A109 HydrophobicContact CE1-CB 3.99Å; W105-A109 WeakPolarHBondContact O-CB 3.35Å; W105-A109 PolarHBondContact O-N 2.85Å; L106-A109 PolarHBondContact O-N 3.34Å; T107-A109 PolarHBondContact O-N 3.27Å; A109-N111 VanDerWaalsContact C-N 3.26Å; A109-N111 PolarHBondContact O-N 3.01Å; A109-L112 PolarHBondContact O-N 2.84Å; A109-T113 WeakPolarHBondContact O-CB 3.25Å; A109-T113 WeakPolarHBondContact O-CG2 3.37Å; A109-T113 PolarHBondContact O-N 3.41Å; A109-T113 PolarHBondContact O-OG1 3.45Å; A109-I119 HydrophobicContact CB-CD1 3.99Å
110R94.8Very high94.3Very high120 Ų12047 Ų4745%0.45326%0.259SS..Hα-helixtrans-61.4-32.6-178.7-73-179.2173.8157.2-1.1113.5L106 T107 I119 N146L106-R110 HydrophobicContact CD1-CG 4.15Å; L106-R110 WeakPolarHBondContact O-CG 3.45Å; L106-R110 PolarHBondContact O-N 3.31Å; T107-R110 PolarHBondContact O-N 2.82Å; R110-I119 HydrophobicContact CG-CD1 4.3Å; R110-N146 PolarHBondContact NH1-OD1 3.23Å; R110-N146 PolarHBondContact NH2-O 2.86Å; R110-N146 PolarHBondContact NH2-OD1 2.95Å
111N93.5Very high94.3Very high120 Ų12042.3 Ų42.364%0.64223%0.234SC*.Hα-helixtrans-82.3-25.3-178.7-70.6-18.3000113.6T107 D108 A109T107-N111 WeakPolarHBondContact CG2-ND2 3.36Å; T107-N111 VanDerWaalsContact O-CB 3.29Å; T107-N111 WeakPolarHBondContact O-CB 3.41Å; T107-N111 PolarHBondContact O-N 2.7Å; T107-N111 PolarHBondContact O-ND2 2.9Å; D108-N111 PolarHBondContact O-N 3.36Å; A109-N111 VanDerWaalsContact C-N 3.26Å; A109-N111 PolarHBondContact O-N 3.01Å
112L91.5Very high94.4Very high57 Ų5738.4 Ų38.430%0.29822%0.216SC..Hα-helixtrans-112.7-14.1-170.4-57.7173.8000113.7R78 Y81 D108 A109R78-L112 HydrophobicContact CB-CD1 4.21Å; R78-L112 HydrophobicContact CG-CD1 3.71Å; Y81-L112 CarbonylContact C-O 3.48Å; Y81-L112 VanDerWaalsContact CB-CB 3.47Å; Y81-L112 HydrophobicContact CD1-CB 4.15Å; Y81-L112 HydrophobicContact CD2-CB 4.29Å; Y81-L112 HydrophobicContact CD2-CD1 3.82Å; Y81-L112 HydrophobicContact CE2-CD1 4.08Å; Y81-L112 HydrophobicContact CG-CB 3.74Å; Y81-L112 HydrophobicContact CG-CD1 4.11Å; D108-L112 HydrophobicContact CB-CD1 4.3Å; D108-L112 WeakPolarHBondContact O-CB 3.42Å; D108-L112 WeakPolarHBondContact O-CG 2.89Å; D108-L112 PolarHBondContact O-N 2.87Å; A109-L112 PolarHBondContact O-N 2.84Å
113T91.5Very high94.5Very high17 Ų1738.4 Ų38.410%0.10422%0.216CC..SBendtrans-99.5178.6171.873.20000111.4I15 Y81 A84 A109 T117I15-T113 HydrophobicContact CD1-CG2 4.15Å; Y81-T113 HydrophobicContact CD1-CG2 3.66Å; Y81-T113 HydrophobicContact CG-CG2 4.35Å; A84-T113 HydrophobicContact CB-CG2 4.16Å; A109-T113 WeakPolarHBondContact O-CB 3.25Å; A109-T113 WeakPolarHBondContact O-CG2 3.37Å; A109-T113 PolarHBondContact O-N 3.41Å; A109-T113 PolarHBondContact O-OG1 3.45Å; T113-T117 WeakPolarHBondContact CB-OG1 3.4Å; T113-T117 HydrophobicContact CG2-CG2 4.2Å; T113-T117 VanDerWaalsContact OG1-CB 3.3Å; T113-T117 WeakPolarHBondContact OG1-CB 3.48Å; T113-T117 PolarHBondContact OG1-OG1 3.19Å; T113-T117 VanDerWaalsContact OG1-OG1 3.12Å
114N87.7Confident94.6Very high19 Ų1935.4 Ų35.410%0.10220%0.195CC..  trans-74.1156.9173.17449.8000110.4N116 T117 E187 S188N114-N116 PolarHBondContact O-N 2.86Å; N114-N116 VanDerWaalsContact OD1-CA 3.25Å; N114-N116 WeakPolarHBondContact OD1-CA 3.43Å; N114-N116 WeakPolarHBondContact OD1-CB 3.48Å; N114-N116 PolarHBondContact OD1-N 2.94Å; N114-T117 VanDerWaalsContact CG-OG1 3.24Å; N114-T117 PolarHBondContact N-OG1 3.15Å; N114-T117 WeakPolarHBondContact O-CB 3.38Å; N114-T117 PolarHBondContact O-N 2.8Å; N114-T117 VanDerWaalsContact O-N 3.16Å; N114-T117 PolarHBondContact O-OG1 3.44Å; N114-T117 WeakPolarHBondContact OD1-CA 3.39Å; N114-T117 PolarHBondContact OD1-N 3.38Å; N114-T117 PolarHBondContact OD1-OG1 3.36Å; N114-E187 PolarHBondContact ND2-O 2.89Å; N114-S188 VanDerWaalsContact ND2-C 3.28Å; N114-S188 VanDerWaalsContact ND2-CA 3.32Å; N114-S188 WeakPolarHBondContact ND2-CA 3.34Å; N114-S188 PolarHBondContact ND2-O 3.45Å
115P89.2Confident94.8Very high131 Ų13135.6 Ų35.685%0.85119%0.19SC*.THydrogen-bonded Turntrans-62.5-21.1178.6-25.635.5000114.7
116N90.1Very high95Very high76 Ų7636.2 Ų36.241%0.40620%0.195SC..THydrogen-bonded Turntrans-93.95.3-179.1-65-33.6000112.8N114 V118 S180 L181N114-N116 PolarHBondContact O-N 2.86Å; N114-N116 VanDerWaalsContact OD1-CA 3.25Å; N114-N116 WeakPolarHBondContact OD1-CA 3.43Å; N114-N116 WeakPolarHBondContact OD1-CB 3.48Å; N114-N116 PolarHBondContact OD1-N 2.94Å; N116-V118 PolarHBondContact O-N 3.49Å; N116-S180 PolarHBondContact ND2-O 2.81Å; N116-S180 VanDerWaalsContact ND2-O 3.12Å; N116-L181 HydrophobicContact CB-CD2 3.47Å; N116-L181 VanDerWaalsContact CB-CD2 3.47Å; N116-L181 HydrophobicContact CB-CG 4.33Å
117T94.5Very high95.1Very high15 Ų1538.4 Ų38.49%0.09221%0.207CC..  trans-66.4124.9-177.1-66.10000107.9A84 A87 T113 N114 I119A84-T117 PolarHBondContact O-OG1 3.48Å; A87-T117 HydrophobicContact CB-CG2 4.27Å; T113-T117 WeakPolarHBondContact CB-OG1 3.4Å; T113-T117 HydrophobicContact CG2-CG2 4.2Å; T113-T117 VanDerWaalsContact OG1-CB 3.3Å; T113-T117 WeakPolarHBondContact OG1-CB 3.48Å; T113-T117 PolarHBondContact OG1-OG1 3.19Å; T113-T117 VanDerWaalsContact OG1-OG1 3.12Å; N114-T117 VanDerWaalsContact CG-OG1 3.24Å; N114-T117 PolarHBondContact N-OG1 3.15Å; N114-T117 WeakPolarHBondContact O-CB 3.38Å; N114-T117 PolarHBondContact O-N 2.8Å; N114-T117 VanDerWaalsContact O-N 3.16Å; N114-T117 PolarHBondContact O-OG1 3.44Å; N114-T117 WeakPolarHBondContact OD1-CA 3.39Å; N114-T117 PolarHBondContact OD1-N 3.38Å; N114-T117 PolarHBondContact OD1-OG1 3.36Å; T117-I119 HydrophobicContact CG2-CG1 4.43Å; T117-I119 PolarHBondContact O-N 3.32Å
118V97.2Very high95.2Very high11 Ų1136.9 Ų36.97%0.06720%0.196CC..EExtended strand (participates in β ladder)trans-77.5122176.9173.90000108.6A85 G86 A87 N116 L149 A168 K171 I172A85-V118 PolarHBondContact O-N 3.29Å; G86-V118 CarbonylContact C-O 3.59Å; G86-V118 VanDerWaalsContact CA-O 3.23Å; G86-V118 WeakPolarHBondContact CA-O 3.35Å; A87-V118 PolarHBondContact N-O 3.04Å; N116-V118 PolarHBondContact O-N 3.49Å; V118-L149 HydrophobicContact CG1-CD1 3.73Å; V118-L149 HydrophobicContact CG1-CG 4.42Å; V118-A168 HydrophobicContact CG1-CB 4.39Å; V118-K171 HydrophobicContact CG1-CB 3.99Å; V118-K171 HydrophobicContact CG1-CG 3.93Å; V118-K171 HydrophobicContact CG2-CB 4.18Å; V118-K171 HydrophobicContact CG2-CG 3.72Å; V118-I172 HydrophobicContact CB-CD1 4.28Å; V118-I172 HydrophobicContact CB-CG1 3.71Å; V118-I172 HydrophobicContact CG2-CB 4.46Å; V118-I172 HydrophobicContact CG2-CG1 3.48Å; V118-I172 VanDerWaalsContact CG2-CG1 3.48Å
119I98.1Very high95.4Very high16 Ų1640.7 Ų40.78%0.08221%0.213CC..EExtended strand (participates in β ladder)trans-108.3127.6178.3-51.7-179.4000108.5A87 M89 L106 A109 R110 T117 L148 L149A87-I119 HydrophobicContact CB-CG1 4.24Å; A87-I119 HydrophobicContact CB-CG2 4.46Å; A87-I119 WeakPolarHBondContact O-CA 3.31Å; M89-I119 HydrophobicContact CB-CG2 4.38Å; L106-I119 HydrophobicContact CD1-CD1 3.83Å; A109-I119 HydrophobicContact CB-CD1 3.99Å; R110-I119 HydrophobicContact CG-CD1 4.3Å; T117-I119 HydrophobicContact CG2-CG1 4.43Å; T117-I119 PolarHBondContact O-N 3.32Å; I119-L148 HydrophobicContact CB-CD2 3.86Å; I119-L148 HydrophobicContact CD1-CD2 4.48Å; I119-L148 HydrophobicContact CG2-CD2 3.95Å; I119-L149 PolarHBondContact O-N 2.96Å
120I98.7Very high95.7Very high2 Ų246 Ų461%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-113.7127.3171-175.2169.3000109.6A87 L88 M89 I122 L149 L151 A164 A168A87-I120 PolarHBondContact O-N 2.7Å; L88-I120 HydrophobicContact CB-CG2 4.29Å; L88-I120 HydrophobicContact CD1-CG2 4.25Å; L88-I120 HydrophobicContact CG-CG2 3.71Å; M89-I120 PolarHBondContact N-O 3.45Å; I120-I122 HydrophobicContact CD1-CG1 4.47Å; I120-I122 HydrophobicContact CG1-CG1 4.13Å; I120-I122 HydrophobicContact CG2-CD1 4.25Å; I120-I122 HydrophobicContact CG2-CG1 4.36Å; I120-L149 CarbonylContact C-O 3.43Å; I120-L149 WeakPolarHBondContact CA-O 3.31Å; I120-L149 HydrophobicContact CB-CB 3.86Å; I120-L149 HydrophobicContact CD1-CB 4.15Å; I120-L149 HydrophobicContact CG1-CB 3.73Å; I120-L151 HydrophobicContact CD1-CD2 4.19Å; I120-L151 HydrophobicContact CD1-CG 4.2Å; I120-A164 HydrophobicContact CD1-CB 4.4Å; I120-A164 WeakPolarHBondContact CD1-O 3.08Å; I120-A168 HydrophobicContact CG2-CB 4.26Å
121L98.8Very high95.8Very high0 Ų046.1 Ų46.10%026%0.262CS..EExtended strand (participates in β ladder)trans-86.1128.5169.1177.862.7000109.4M89 Y91 L102 F142 A143 L148 L149 F150 L151M89-L121 HydrophobicContact CE-CD1 3.93Å; M89-L121 HydrophobicContact CG-CD1 4.42Å; M89-L121 CarbonylContact O-C 3.59Å; M89-L121 WeakPolarHBondContact O-CA 3.35Å; Y91-L121 HydrophobicContact CD1-CD1 3.65Å; Y91-L121 HydrophobicContact CD1-CG 4.26Å; Y91-L121 HydrophobicContact CE1-CD1 3.94Å; Y91-L121 HydrophobicContact CE1-CD2 4.33Å; Y91-L121 HydrophobicContact CE1-CG 4.03Å; L102-L121 HydrophobicContact CD1-CD1 3.7Å; L102-L121 HydrophobicContact CD1-CD2 4.26Å; L102-L121 HydrophobicContact CD2-CD1 3.58Å; L102-L121 HydrophobicContact CG-CD1 4.28Å; L121-F142 HydrophobicContact CD2-CD1 3.8Å; L121-F142 HydrophobicContact CD2-CE1 4.36Å; L121-A143 HydrophobicContact CB-CB 4.47Å; L121-A143 HydrophobicContact CD2-CB 4.1Å; L121-L148 HydrophobicContact CB-CD1 4.32Å; L121-L149 PolarHBondContact N-O 2.81Å; L121-F150 HydrophobicContact CB-CD2 3.97Å; L121-F150 HydrophobicContact CD2-CD2 3.78Å; L121-F150 HydrophobicContact CD2-CE2 4.06Å; L121-F150 HydrophobicContact CG-CD2 3.76Å; L121-F150 HydrophobicContact CG-CE2 4.13Å; L121-F150 WeakPolarHBondContact O-CA 3.12Å; L121-L151 PolarHBondContact O-N 3.26Å
122I98.8Very high96.1Very high0 Ų043.1 Ų43.10%024%0.242CC..EExtended strand (participates in β ladder)trans-123.6113.8-178.2-56.1169.9000109.1L27 L88 M89 V90 Y91 I120 N124 L151 A153 A164L27-I122 HydrophobicContact CD1-CG2 4.21Å; L88-I122 HydrophobicContact CB-CD1 3.96Å; L88-I122 HydrophobicContact CD2-CD1 3.79Å; L88-I122 HydrophobicContact CG-CD1 3.91Å; M89-I122 PolarHBondContact O-N 3.01Å; V90-I122 WeakPolarHBondContact CA-O 3.4Å; V90-I122 HydrophobicContact CG2-CB 4.37Å; V90-I122 HydrophobicContact CG2-CD1 4.41Å; Y91-I122 WeakPolarHBondContact CD1-O 3.38Å; Y91-I122 PolarHBondContact N-O 3.35Å; I120-I122 HydrophobicContact CD1-CG1 4.47Å; I120-I122 HydrophobicContact CG1-CG1 4.13Å; I120-I122 HydrophobicContact CG2-CD1 4.25Å; I120-I122 HydrophobicContact CG2-CG1 4.36Å; I122-N124 PolarHBondContact O-N 2.71Å; I122-L151 WeakPolarHBondContact CA-O 3.37Å; I122-L151 HydrophobicContact CG1-CD1 4.49Å; I122-L151 HydrophobicContact CG2-CD1 4.21Å; I122-A153 HydrophobicContact CG2-CB 3.98Å; I122-A164 HydrophobicContact CD1-CB 3.76Å; I122-A164 HydrophobicContact CG1-CB 4.28Å
123G98.8Very high96.4Very high0 Ų044.3 Ų44.30%025%0.249CC..EExtended strand (participates in β ladder)trans-80.4100.9165.500000110L151 E152 A153G123-L151 PolarHBondContact N-O 3.13Å; G123-E152 CarbonylContact O-C 3.6Å; G123-E152 WeakPolarHBondContact O-CA 3.38Å; G123-E152 WeakPolarHBondContact O-CB 3.31Å; G123-A153 PolarHBondContact O-N 3.34Å
124N98.6Very high96.7Very high3 Ų343.5 Ų43.52%0.01624%0.244CC..EExtended strand (participates in β ladder)trans-89.1162.5-178.1-17038.9000112V22 L27 V90 Y91 I93 I122 A153 A155V22-N124 PolarHBondContact O-ND2 3.13Å; L27-N124 HydrophobicContact CD1-CB 4.37Å; V90-N124 HydrophobicContact CG1-CB 3.75Å; Y91-N124 PolarHBondContact O-N 3.29Å; I93-N124 PolarHBondContact N-O 2.84Å; I93-N124 VanDerWaalsContact N-O 3.08Å; I122-N124 PolarHBondContact O-N 2.71Å; N124-A153 CarbonylContact C-O 3.58Å; N124-A153 VanDerWaalsContact CA-O 3.3Å; N124-A153 WeakPolarHBondContact CA-O 3.33Å; N124-A153 PolarHBondContact OD1-O 2.8Å; N124-A155 PolarHBondContact OD1-N 3.34Å; N124-A155 VanDerWaalsContact OD1-N 3.12Å
125K97.9Very high97.2Very high52 Ų5245.5 Ų45.523%0.22626%0.257CS..  trans71.735.1-176.6-46.4-170.2-168.8169.80113.6G21 D92 I93 D127 L128 A153G21-K125 PolarHBondContact O-NZ 3.28Å; D92-K125 WeakPolarHBondContact OD1-CD 3.42Å; D92-K125 WeakPolarHBondContact OD2-CD 3.46Å; D92-K125 WeakPolarHBondContact OD2-CE 3.24Å; D92-K125 IonicContact OD2-NZ 2.7Å; D92-K125 PolarHBondContact OD2-NZ 3.45Å; I93-K125 WeakPolarHBondContact CD1-O 3.34Å; I93-K125 WeakPolarHBondContact CG1-O 3.38Å; K125-D127 PolarHBondContact O-N 3.45Å; K125-L128 HydrophobicContact CB-CD1 4.05Å; K125-L128 HydrophobicContact CB-CG 4.26Å; K125-L128 HydrophobicContact CD-CD1 3.98Å; K125-L128 WeakPolarHBondContact O-CB 3.49Å; K125-L128 PolarHBondContact O-N 3Å; K125-A153 PolarHBondContact N-O 3.27Å
126A98.1Very high97.7Very high15 Ų1543.5 Ų43.512%0.12423%0.232CC..G310 helixtrans-54.7-21.2173.200000113.7L128 E152 A153A126-L128 PolarHBondContact O-N 2.7Å; A126-E152 HydrophobicContact CB-CB 4.34Å; A126-A153 WeakPolarHBondContact CB-O 3.37Å; A126-A153 PolarHBondContact N-O 3.49Å
127D97.9Very high98.1Very high51 Ų5145.9 Ų45.927%0.27324%0.241SC..G310 helixtrans-66.9-13.3172.362.6-76.5000114.2K125 S154 K156 T157K125-D127 PolarHBondContact O-N 3.45Å; D127-S154 WeakPolarHBondContact CB-OG 3.05Å; D127-S154 VanDerWaalsContact CG-OG 3.28Å; D127-S154 WeakPolarHBondContact OD1-CB 3.39Å; D127-S154 PolarHBondContact OD1-OG 2.7Å; D127-K156 WeakPolarHBondContact OD2-CD 3.39Å; D127-K156 IonicContact OD2-NZ 2.7Å; D127-T157 HydrophobicContact CB-CG2 3.91Å
128L97.7Very high98.3Very high43 Ų4347.5 Ų47.523%0.22525%0.248CC..G310 helixtrans-101.337.4179.8-57.5-176.7000112.5T94 K125 A126 A130 Q131 R132T94-L128 HydrophobicContact CG2-CB 3.56Å; T94-L128 HydrophobicContact CG2-CD1 3.95Å; T94-L128 HydrophobicContact CG2-CG 4.41Å; K125-L128 HydrophobicContact CB-CD1 4.05Å; K125-L128 HydrophobicContact CB-CG 4.26Å; K125-L128 HydrophobicContact CD-CD1 3.98Å; K125-L128 WeakPolarHBondContact O-CB 3.49Å; K125-L128 PolarHBondContact O-N 3Å; A126-L128 PolarHBondContact O-N 2.7Å; L128-A130 PolarHBondContact O-N 2.71Å; L128-A130 VanDerWaalsContact O-N 3.11Å; L128-Q131 HydrophobicContact CB-CB 4.5Å; L128-Q131 CarbonylContact O-C 3.5Å; L128-Q131 WeakPolarHBondContact O-CA 3.24Å; L128-Q131 PolarHBondContact O-N 3.12Å; L128-R132 PolarHBondContact O-N 2.85Å
129E97.6Very high98.3Very high107 Ų10747 Ų4750%0.525%0.245SC..G310 helixtrans-49.7-39.8-177.5-17257.8-147.500113.8Q131 R132E129-Q131 PolarHBondContact O-N 3.35Å; E129-Q131 VanDerWaalsContact O-N 3.11Å; E129-R132 VanDerWaalsContact CD-NE 3.26Å; E129-R132 WeakPolarHBondContact O-CB 3.29Å; E129-R132 PolarHBondContact O-N 3.47Å; E129-R132 IonicContact OE1-CZ 3.45Å; E129-R132 IonicContact OE1-NE 3.35Å; E129-R132 PolarHBondContact OE1-NE 2.88Å; E129-R132 IonicContact OE1-NH2 2.65Å; E129-R132 IonicContact OE2-CZ 3.79Å; E129-R132 VanDerWaalsContact OE2-CZ 3.25Å; E129-R132 IonicContact OE2-NE 2.86Å; E129-R132 PolarHBondContact OE2-NE 2.7Å; E129-R132 IonicContact OE2-NH2 2.67Å; E129-R132 PolarHBondContact OE2-NH2 3.2Å
130A98Very high98.3Very high110 Ų11050.2 Ų50.291%0.90926%0.258SS*.G310 helixtrans-65.3-14.8178.600000114.3L128L128-A130 PolarHBondContact O-N 2.71Å; L128-A130 VanDerWaalsContact O-N 3.11Å
131Q98.1Very high98.3Very high123 Ų12355.3 Ų55.358%0.57528%0.282SS*.G310 helixtrans-11110.9178.2-59.4175.340.400111.6T94 L128 E129 D133T94-Q131 WeakPolarHBondContact CA-O 3.29Å; T94-Q131 VanDerWaalsContact CB-O 3.24Å; T94-Q131 WeakPolarHBondContact CB-O 3.31Å; T94-Q131 HydrophobicContact CG2-CB 3.84Å; L128-Q131 HydrophobicContact CB-CB 4.5Å; L128-Q131 CarbonylContact O-C 3.5Å; L128-Q131 WeakPolarHBondContact O-CA 3.24Å; L128-Q131 PolarHBondContact O-N 3.12Å; E129-Q131 PolarHBondContact O-N 3.35Å; E129-Q131 VanDerWaalsContact O-N 3.11Å; Q131-D133 PolarHBondContact O-N 3.07Å
132R98.6Very high98.3Very high58 Ų5856.3 Ų56.322%0.21929%0.286CS..  trans-57.2125-179.5179.7179.2-70.1-83.73.3110.3I93 L128 E129 V134 E152I93-R132 HydrophobicContact CD1-CB 4.49Å; L128-R132 PolarHBondContact O-N 2.85Å; E129-R132 VanDerWaalsContact CD-NE 3.26Å; E129-R132 WeakPolarHBondContact O-CB 3.29Å; E129-R132 PolarHBondContact O-N 3.47Å; E129-R132 IonicContact OE1-CZ 3.45Å; E129-R132 IonicContact OE1-NE 3.35Å; E129-R132 PolarHBondContact OE1-NE 2.88Å; E129-R132 IonicContact OE1-NH2 2.65Å; E129-R132 IonicContact OE2-CZ 3.79Å; E129-R132 VanDerWaalsContact OE2-CZ 3.25Å; E129-R132 IonicContact OE2-NE 2.86Å; E129-R132 PolarHBondContact OE2-NE 2.7Å; E129-R132 IonicContact OE2-NH2 2.67Å; E129-R132 PolarHBondContact OE2-NH2 3.2Å; R132-V134 VanDerWaalsContact CD-O 3.27Å; R132-V134 WeakPolarHBondContact CD-O 3.45Å; R132-V134 WeakPolarHBondContact CG-O 3.47Å; R132-V134 PolarHBondContact NH1-O 3.15Å; R132-E152 IonicContact CZ-OE1 3.25Å; R132-E152 IonicContact CZ-OE2 2.7Å; R132-E152 IonicContact NH1-OE1 3.63Å; R132-E152 PolarHBondContact NH1-OE1 3.16Å; R132-E152 IonicContact NH1-OE2 3.86Å; R132-E152 PolarHBondContact NH1-OE2 3.17Å; R132-E152 IonicContact NH2-OE1 2.7Å; R132-E152 IonicContact NH2-OE2 3.72Å; R132-E152 PolarHBondContact NH2-OE2 2.92Å
133D98.4Very high98.3Very high82 Ų8256.3 Ų56.344%0.43929%0.286SS..  trans-108.3-33.4174.5-169.75.7000109.4I93 R96 Q131I93-D133 PolarHBondContact O-N 3.49Å; R96-D133 WeakPolarHBondContact CB-OD2 3.28Å; R96-D133 PolarHBondContact N-OD2 2.88Å; R96-D133 IonicContact NE-OD1 2.98Å; R96-D133 PolarHBondContact NH2-O 3.42Å; Q131-D133 PolarHBondContact O-N 3.07Å
134V98.5Very high98.3Very high0 Ų062.4 Ų62.40%032%0.315CS..SBendtrans-100.6119.2177.4-170.10000111.8Y91 I93 Y99 R132 E138 A139Y91-V134 HydrophobicContact CD2-CG1 4.43Å; Y91-V134 HydrophobicContact CD2-CG2 4.26Å; Y91-V134 HydrophobicContact CE2-CB 3.85Å; Y91-V134 HydrophobicContact CE2-CG1 3.64Å; Y91-V134 HydrophobicContact CE2-CG2 4.09Å; I93-V134 PolarHBondContact O-N 2.91Å; Y99-V134 HydrophobicContact CD2-CG1 3.71Å; Y99-V134 HydrophobicContact CE2-CG1 4.21Å; Y99-V134 HydrophobicContact CG-CG1 3.95Å; Y99-V134 HydrophobicContact CG-CG2 4.23Å; R132-V134 VanDerWaalsContact CD-O 3.27Å; R132-V134 WeakPolarHBondContact CD-O 3.45Å; R132-V134 WeakPolarHBondContact CG-O 3.47Å; R132-V134 PolarHBondContact NH1-O 3.15Å; V134-E138 WeakPolarHBondContact CA-OE1 3.46Å; V134-E138 HydrophobicContact CG1-CG 3.9Å; V134-A139 HydrophobicContact CG1-CB 4.26Å
135T98.4Very high98.3Very high61 Ų6168.6 Ų68.637%0.37434%0.344SS..  trans-70.3153177.174.50000111.1E137 E138T135-E137 VanDerWaalsContact C-N 3.27Å; T135-E137 PolarHBondContact O-N 2.99Å; T135-E138 PolarHBondContact N-OE1 3.28Å; T135-E138 WeakPolarHBondContact O-CG 3.38Å; T135-E138 WeakPolarHBondContact OG1-CG 3.34Å; T135-E138 PolarHBondContact OG1-N 3.24Å; T135-E138 PolarHBondContact OG1-OE1 3.19Å
136Y98.5Very high98.3Very high88 Ų8868 Ų6835%0.34534%0.343SS..Hα-helixtrans-62.9-40.9175.3179-92.6000110.5A139 K140 F150 E152Y136-A139 PolarHBondContact O-N 2.9Å; Y136-K140 HydrophobicContact CD1-CD 4.44Å; Y136-K140 HydrophobicContact CE1-CB 4.32Å; Y136-K140 HydrophobicContact CE1-CD 3.67Å; Y136-K140 WeakPolarHBondContact O-CB 3.49Å; Y136-K140 PolarHBondContact O-N 3.06Å; Y136-F150 AromaticContact CD2-CE1 3.83Å; Y136-F150 HydrophobicContact CD2-CE1 3.83Å; Y136-F150 HydrophobicContact CD2-CZ 4.19Å; Y136-F150 HydrophobicContact CE1-CE1 4.29Å; Y136-F150 HydrophobicContact CE2-CD1 4.3Å; Y136-F150 AromaticContact CE2-CE1 3.47Å; Y136-F150 HydrophobicContact CE2-CE1 3.47Å; Y136-F150 VanDerWaalsContact CE2-CE1 3.47Å; Y136-F150 HydrophobicContact CE2-CZ 4.16Å; Y136-F150 HydrophobicContact CG-CE1 4.37Å; Y136-F150 AromaticContact CZ-CE1 3.72Å; Y136-E152 HydrophobicContact CD2-CG 3.86Å; Y136-E152 HydrophobicContact CE2-CG 4.19Å
137E98.5Very high98.2Very high127 Ų12770.8 Ų70.859%0.59337%0.373SS*.Hα-helixtrans-64.6-43.8-175-66.969.6-152.300112.4T135 K140 Q141T135-E137 VanDerWaalsContact C-N 3.27Å; T135-E137 PolarHBondContact O-N 2.99Å; E137-K140 PolarHBondContact O-N 3.42Å; E137-Q141 VanDerWaalsContact O-CB 3.3Å; E137-Q141 WeakPolarHBondContact O-CB 3.39Å; E137-Q141 PolarHBondContact O-N 3.21Å
138E98.2Very high98.2Very high49 Ų4969.3 Ų69.323%0.22937%0.365CS..Hα-helixtrans-69.4-38-178.772.6-175.3129.200111.8R96 Y99 V134 T135 Q141 F142R96-E138 IonicContact CZ-OE1 3.65Å; R96-E138 IonicContact CZ-OE2 3.35Å; R96-E138 IonicContact NH1-OE1 3.99Å; R96-E138 PolarHBondContact NH1-OE1 3.43Å; R96-E138 IonicContact NH1-OE2 3.52Å; R96-E138 PolarHBondContact NH1-OE2 3.18Å; R96-E138 IonicContact NH2-OE1 3.75Å; R96-E138 PolarHBondContact NH2-OE1 3.03Å; R96-E138 IonicContact NH2-OE2 2.75Å; R96-E138 PolarHBondContact NH2-OE2 3.08Å; Y99-E138 PolarHBondContact OH-O 3.2Å; V134-E138 WeakPolarHBondContact CA-OE1 3.46Å; V134-E138 HydrophobicContact CG1-CG 3.9Å; T135-E138 PolarHBondContact N-OE1 3.28Å; T135-E138 WeakPolarHBondContact O-CG 3.38Å; T135-E138 WeakPolarHBondContact OG1-CG 3.34Å; T135-E138 PolarHBondContact OG1-N 3.24Å; T135-E138 PolarHBondContact OG1-OE1 3.19Å; E138-Q141 PolarHBondContact O-N 2.88Å; E138-F142 WeakPolarHBondContact O-CB 3.2Å; E138-F142 PolarHBondContact O-N 2.81Å
139A98.5Very high98.3Very high0 Ų069.8 Ų69.80%037%0.367CS..Hα-helixtrans-72.2-37.2178.100000111.8Y91 Y99 V134 Y136 F142 A143 F150Y91-A139 HydrophobicContact CE1-CB 4.13Å; Y91-A139 WeakPolarHBondContact OH-CB 3.5Å; Y99-A139 HydrophobicContact CD2-CB 4.49Å; Y99-A139 HydrophobicContact CE2-CB 4.09Å; V134-A139 HydrophobicContact CG1-CB 4.26Å; Y136-A139 PolarHBondContact O-N 2.9Å; A139-F142 PolarHBondContact O-N 3.42Å; A139-A143 PolarHBondContact O-N 3.37Å; A139-F150 HydrophobicContact CB-CE2 3.7Å; A139-F150 HydrophobicContact CB-CZ 3.63Å
140K98.7Very high98.3Very high84 Ų8466.4 Ų66.437%0.36535%0.351SS..Hα-helixtrans-61.3-47.5170.9-176.1175.1171.4-171.40111.3Y136 E137 F142 A143 E144 F150Y136-K140 HydrophobicContact CD1-CD 4.44Å; Y136-K140 HydrophobicContact CE1-CB 4.32Å; Y136-K140 HydrophobicContact CE1-CD 3.67Å; Y136-K140 WeakPolarHBondContact O-CB 3.49Å; Y136-K140 PolarHBondContact O-N 3.06Å; E137-K140 PolarHBondContact O-N 3.42Å; K140-F142 VanDerWaalsContact C-N 3.35Å; K140-F142 PolarHBondContact O-N 3.1Å; K140-A143 WeakPolarHBondContact O-CB 3.38Å; K140-A143 PolarHBondContact O-N 2.84Å; K140-A143 VanDerWaalsContact O-N 3.16Å; K140-E144 WeakPolarHBondContact CE-OE1 3.42Å; K140-E144 HydrophobicContact CG-CG 4.5Å; K140-E144 IonicContact NZ-OE1 3.49Å; K140-E144 WeakPolarHBondContact O-CG 3.25Å; K140-E144 PolarHBondContact O-N 3.2Å; K140-F150 HydrophobicContact CB-CD1 3.66Å; K140-F150 HydrophobicContact CB-CE1 3.58Å; K140-F150 HydrophobicContact CB-CZ 4.49Å; K140-F150 HydrophobicContact CG-CD1 3.94Å; K140-F150 HydrophobicContact CG-CE1 4.3Å
141Q98.6Very high98.4Very high108 Ų10862.3 Ų62.351%0.50531%0.314SS..Hα-helixtrans-59.6-46.2177.5-178.6179.2-900111E137 E138 A143 E144 E145E137-Q141 VanDerWaalsContact O-CB 3.3Å; E137-Q141 WeakPolarHBondContact O-CB 3.39Å; E137-Q141 PolarHBondContact O-N 3.21Å; E138-Q141 PolarHBondContact O-N 2.88Å; Q141-A143 VanDerWaalsContact C-N 3.27Å; Q141-A143 PolarHBondContact O-N 2.84Å; Q141-E144 PolarHBondContact O-N 3.3Å; Q141-E145 HydrophobicContact CG-CG 4.33Å; Q141-E145 WeakPolarHBondContact CG-OE1 3.37Å; Q141-E145 PolarHBondContact NE2-OE1 2.75Å; Q141-E145 WeakPolarHBondContact O-CB 3.43Å; Q141-E145 WeakPolarHBondContact O-CG 3.22Å; Q141-E145 PolarHBondContact O-N 2.79Å
142F98.7Very high98.4Very high21 Ų2157.2 Ų57.29%0.09229%0.29CS..Hα-helixtrans-56.8-41.5175.6174.5-87.2000112.1M89 Y99 L102 L106 L121 E138 A139 K140 N146 L148M89-F142 HydrophobicContact CE-CE1 4.04Å; Y99-F142 HydrophobicContact CE2-CB 4.39Å; L102-F142 HydrophobicContact CB-CE1 4.03Å; L102-F142 HydrophobicContact CB-CZ 3.86Å; L102-F142 HydrophobicContact CD1-CD1 4.45Å; L102-F142 HydrophobicContact CD1-CE1 4.31Å; L106-F142 HydrophobicContact CD2-CE1 4.46Å; L106-F142 HydrophobicContact CD2-CZ 4.11Å; L121-F142 HydrophobicContact CD2-CD1 3.8Å; L121-F142 HydrophobicContact CD2-CE1 4.36Å; E138-F142 WeakPolarHBondContact O-CB 3.2Å; E138-F142 PolarHBondContact O-N 2.81Å; A139-F142 PolarHBondContact O-N 3.42Å; K140-F142 VanDerWaalsContact C-N 3.35Å; K140-F142 PolarHBondContact O-N 3.1Å; F142-N146 WeakPolarHBondContact O-CB 3.32Å; F142-N146 PolarHBondContact O-N 3.09Å; F142-N146 PolarHBondContact O-ND2 3.39Å; F142-L148 HydrophobicContact CD1-CD1 4.48Å; F142-L148 HydrophobicContact CE1-CD1 4.05Å
143A98.6Very high98.4Very high0 Ų054.5 Ų54.50%028%0.28CS..Hα-helixtrans-66.7-44.9177.100000112.5L121 A139 K140 Q141 N146 G147 L148 F150L121-A143 HydrophobicContact CB-CB 4.47Å; L121-A143 HydrophobicContact CD2-CB 4.1Å; A139-A143 PolarHBondContact O-N 3.37Å; K140-A143 WeakPolarHBondContact O-CB 3.38Å; K140-A143 PolarHBondContact O-N 2.84Å; K140-A143 VanDerWaalsContact O-N 3.16Å; Q141-A143 VanDerWaalsContact C-N 3.27Å; Q141-A143 PolarHBondContact O-N 2.84Å; A143-N146 CarbonylContact O-C 3.47Å; A143-N146 PolarHBondContact O-N 3.04Å; A143-G147 PolarHBondContact O-N 3.27Å; A143-L148 HydrophobicContact CB-CB 4.04Å; A143-L148 PolarHBondContact O-N 3.18Å; A143-F150 HydrophobicContact CB-CB 3.57Å; A143-F150 HydrophobicContact CB-CD2 4.33Å; A143-F150 HydrophobicContact CB-CG 4.07Å
144E98.3Very high98.4Very high128 Ų12850.6 Ų50.660%0.59826%0.259SS*.Hα-helixtrans-61.4-47.3178.1-72.9176.8172.300111.6K140 Q141 N146 G147K140-E144 WeakPolarHBondContact CE-OE1 3.42Å; K140-E144 HydrophobicContact CG-CG 4.5Å; K140-E144 IonicContact NZ-OE1 3.49Å; K140-E144 WeakPolarHBondContact O-CG 3.25Å; K140-E144 PolarHBondContact O-N 3.2Å; Q141-E144 PolarHBondContact O-N 3.3Å; E144-N146 PolarHBondContact O-N 2.86Å; E144-N146 VanDerWaalsContact O-N 3.16Å; E144-G147 PolarHBondContact O-N 3.13Å; E144-G147 VanDerWaalsContact O-N 3.13Å
145E98.2Very high98.3Very high134 Ų13450.7 Ų50.763%0.62626%0.26SS*.Hα-helixtrans-60.2-26.1176.7-72.8176.7-177.500112.8Q141Q141-E145 HydrophobicContact CG-CG 4.33Å; Q141-E145 WeakPolarHBondContact CG-OE1 3.37Å; Q141-E145 PolarHBondContact NE2-OE1 2.75Å; Q141-E145 WeakPolarHBondContact O-CB 3.43Å; Q141-E145 WeakPolarHBondContact O-CG 3.22Å; Q141-E145 PolarHBondContact O-N 2.79Å
146N97.8Very high98.2Very high39 Ų3953.2 Ų53.221%0.20927%0.266CS..THydrogen-bonded Turntrans-105.45.3-179.7-75.1-78000114.2L106 R110 F142 A143 E144 L148L106-N146 HydrophobicContact CD2-CB 3.81Å; L106-N146 VanDerWaalsContact CD2-OD1 3.31Å; L106-N146 WeakPolarHBondContact CD2-OD1 3.42Å; R110-N146 PolarHBondContact NH1-OD1 3.23Å; R110-N146 PolarHBondContact NH2-O 2.86Å; R110-N146 PolarHBondContact NH2-OD1 2.95Å; F142-N146 WeakPolarHBondContact O-CB 3.32Å; F142-N146 PolarHBondContact O-N 3.09Å; F142-N146 PolarHBondContact O-ND2 3.39Å; A143-N146 CarbonylContact O-C 3.47Å; A143-N146 PolarHBondContact O-N 3.04Å; E144-N146 PolarHBondContact O-N 2.86Å; E144-N146 VanDerWaalsContact O-N 3.16Å; N146-L148 VanDerWaalsContact C-N 3.29Å; N146-L148 HydrophobicContact CB-CD1 4.01Å; N146-L148 HydrophobicContact CB-CD2 4.16Å; N146-L148 HydrophobicContact CB-CG 3.76Å; N146-L148 WeakPolarHBondContact O-CD2 3.36Å; N146-L148 PolarHBondContact O-N 2.88Å
147G97Very high98.1Very high73 Ų7353.1 Ų53.175%0.75327%0.274SS*.THydrogen-bonded Turntrans60.835.4-179.600000113.9A143 E144A143-G147 PolarHBondContact O-N 3.27Å; E144-G147 PolarHBondContact O-N 3.13Å; E144-G147 VanDerWaalsContact O-N 3.13Å
148L98.4Very high98.1Very high20 Ų2048.4 Ų48.411%0.10526%0.26CS..  trans-97149.1179.2-42.7179.6000110.1M89 L106 I119 L121 F142 A143 N146M89-L148 HydrophobicContact CE-CD1 3.64Å; L106-L148 HydrophobicContact CD1-CD1 4.29Å; L106-L148 HydrophobicContact CD1-CD2 3.81Å; L106-L148 HydrophobicContact CD2-CD1 4.35Å; I119-L148 HydrophobicContact CB-CD2 3.86Å; I119-L148 HydrophobicContact CD1-CD2 4.48Å; I119-L148 HydrophobicContact CG2-CD2 3.95Å; L121-L148 HydrophobicContact CB-CD1 4.32Å; F142-L148 HydrophobicContact CD1-CD1 4.48Å; F142-L148 HydrophobicContact CE1-CD1 4.05Å; A143-L148 HydrophobicContact CB-CB 4.04Å; A143-L148 PolarHBondContact O-N 3.18Å; N146-L148 VanDerWaalsContact C-N 3.29Å; N146-L148 HydrophobicContact CB-CD1 4.01Å; N146-L148 HydrophobicContact CB-CD2 4.16Å; N146-L148 HydrophobicContact CB-CG 3.76Å; N146-L148 WeakPolarHBondContact O-CD2 3.36Å; N146-L148 PolarHBondContact O-N 2.88Å
149L98.4Very high98.1Very high53 Ų5350.9 Ų50.928%0.27727%0.271SS..EExtended strand (participates in β ladder)trans-67150.6160.7-60176.2000108.5V118 I119 I120 L121 E167 K171V118-L149 HydrophobicContact CG1-CD1 3.73Å; V118-L149 HydrophobicContact CG1-CG 4.42Å; I119-L149 PolarHBondContact O-N 2.96Å; I120-L149 CarbonylContact C-O 3.43Å; I120-L149 WeakPolarHBondContact CA-O 3.31Å; I120-L149 HydrophobicContact CB-CB 3.86Å; I120-L149 HydrophobicContact CD1-CB 4.15Å; I120-L149 HydrophobicContact CG1-CB 3.73Å; L121-L149 PolarHBondContact N-O 2.81Å; L149-E167 HydrophobicContact CD1-CB 4.48Å; L149-K171 HydrophobicContact CD1-CB 4.09Å
150F98.6Very high98Very high37 Ų3753.8 Ų53.816%0.16229%0.287CS..EExtended strand (participates in β ladder)trans-143.5137.8-179.6177.4-112.9000112.5Y91 L121 Y136 A139 K140 A143 E152Y91-F150 HydrophobicContact CE1-CE2 4.25Å; L121-F150 HydrophobicContact CB-CD2 3.97Å; L121-F150 HydrophobicContact CD2-CD2 3.78Å; L121-F150 HydrophobicContact CD2-CE2 4.06Å; L121-F150 HydrophobicContact CG-CD2 3.76Å; L121-F150 HydrophobicContact CG-CE2 4.13Å; L121-F150 WeakPolarHBondContact O-CA 3.12Å; Y136-F150 AromaticContact CD2-CE1 3.83Å; Y136-F150 HydrophobicContact CD2-CE1 3.83Å; Y136-F150 HydrophobicContact CD2-CZ 4.19Å; Y136-F150 HydrophobicContact CE1-CE1 4.29Å; Y136-F150 HydrophobicContact CE2-CD1 4.3Å; Y136-F150 AromaticContact CE2-CE1 3.47Å; Y136-F150 HydrophobicContact CE2-CE1 3.47Å; Y136-F150 VanDerWaalsContact CE2-CE1 3.47Å; Y136-F150 HydrophobicContact CE2-CZ 4.16Å; Y136-F150 HydrophobicContact CG-CE1 4.37Å; Y136-F150 AromaticContact CZ-CE1 3.72Å; A139-F150 HydrophobicContact CB-CE2 3.7Å; A139-F150 HydrophobicContact CB-CZ 3.63Å; K140-F150 HydrophobicContact CB-CD1 3.66Å; K140-F150 HydrophobicContact CB-CE1 3.58Å; K140-F150 HydrophobicContact CB-CZ 4.49Å; K140-F150 HydrophobicContact CG-CD1 3.94Å; K140-F150 HydrophobicContact CG-CE1 4.3Å; A143-F150 HydrophobicContact CB-CB 3.57Å; A143-F150 HydrophobicContact CB-CD2 4.33Å; A143-F150 HydrophobicContact CB-CG 4.07Å; F150-E152 HydrophobicContact CZ-CG 4.04Å
151L98.5Very high98Very high23 Ų2349.8 Ų49.812%0.1227%0.269CS..EExtended strand (participates in β ladder)trans-157.2169.6162.759.277.8000110.7I120 L121 I122 G123 A153 N160 D163 A164I120-L151 HydrophobicContact CD1-CD2 4.19Å; I120-L151 HydrophobicContact CD1-CG 4.2Å; L121-L151 PolarHBondContact O-N 3.26Å; I122-L151 WeakPolarHBondContact CA-O 3.37Å; I122-L151 HydrophobicContact CG1-CD1 4.49Å; I122-L151 HydrophobicContact CG2-CD1 4.21Å; G123-L151 PolarHBondContact N-O 3.13Å; L151-A153 HydrophobicContact CD1-CB 4.01Å; L151-N160 HydrophobicContact CD1-CB 4.11Å; L151-D163 HydrophobicContact CD2-CB 4.19Å; L151-A164 HydrophobicContact CD1-CB 3.99Å; L151-A164 HydrophobicContact CD2-CB 4.21Å
152E98.7Very high98Very high17 Ų1746.8 Ų46.88%0.07926%0.255CS..EExtended strand (participates in β ladder)trans-107.3147.6166-64-169.1157.900110.5G123 A126 R132 Y136 F150 N160G123-E152 CarbonylContact O-C 3.6Å; G123-E152 WeakPolarHBondContact O-CA 3.38Å; G123-E152 WeakPolarHBondContact O-CB 3.31Å; A126-E152 HydrophobicContact CB-CB 4.34Å; R132-E152 IonicContact CZ-OE1 3.25Å; R132-E152 IonicContact CZ-OE2 2.7Å; R132-E152 IonicContact NH1-OE1 3.63Å; R132-E152 PolarHBondContact NH1-OE1 3.16Å; R132-E152 IonicContact NH1-OE2 3.86Å; R132-E152 PolarHBondContact NH1-OE2 3.17Å; R132-E152 IonicContact NH2-OE1 2.7Å; R132-E152 IonicContact NH2-OE2 3.72Å; R132-E152 PolarHBondContact NH2-OE2 2.92Å; Y136-E152 HydrophobicContact CD2-CG 3.86Å; Y136-E152 HydrophobicContact CE2-CG 4.19Å; F150-E152 HydrophobicContact CZ-CG 4.04Å; E152-N160 WeakPolarHBondContact O-CB 3.19Å; E152-N160 PolarHBondContact O-ND2 2.91Å
153A98.6Very high97.9Very high0 Ų049 Ų490%027%0.268CS..EExtended strand (participates in β ladder)trans-140.3161.9-177.400000111.5L27 I122 G123 N124 K125 A126 L151 E159 N160 V161L27-A153 HydrophobicContact CD2-CB 4.33Å; I122-A153 HydrophobicContact CG2-CB 3.98Å; G123-A153 PolarHBondContact O-N 3.34Å; N124-A153 CarbonylContact C-O 3.58Å; N124-A153 VanDerWaalsContact CA-O 3.3Å; N124-A153 WeakPolarHBondContact CA-O 3.33Å; N124-A153 PolarHBondContact OD1-O 2.8Å; K125-A153 PolarHBondContact N-O 3.27Å; A126-A153 WeakPolarHBondContact CB-O 3.37Å; A126-A153 PolarHBondContact N-O 3.49Å; L151-A153 HydrophobicContact CD1-CB 4.01Å; A153-E159 VanDerWaalsContact CA-O 3.29Å; A153-E159 WeakPolarHBondContact CA-O 3.45Å; A153-E159 WeakPolarHBondContact CB-O 3.48Å; A153-N160 HydrophobicContact CB-CB 4.14Å; A153-V161 HydrophobicContact CB-CG2 4.41Å
154S98.2Very high97.9Very high0 Ų049 Ų490%027%0.268CS..  trans-124.8110166.2172.40000109.8D127 K156 T157 G158 E159 V161D127-S154 WeakPolarHBondContact CB-OG 3.05Å; D127-S154 VanDerWaalsContact CG-OG 3.28Å; D127-S154 WeakPolarHBondContact OD1-CB 3.39Å; D127-S154 PolarHBondContact OD1-OG 2.7Å; S154-K156 PolarHBondContact O-N 3.3Å; S154-K156 PolarHBondContact OG-N 2.88Å; S154-T157 VanDerWaalsContact CB-OG1 3.22Å; S154-T157 WeakPolarHBondContact CB-OG1 3.46Å; S154-T157 PolarHBondContact O-N 3.4Å; S154-T157 PolarHBondContact OG-N 2.67Å; S154-T157 VanDerWaalsContact OG-N 3.07Å; S154-T157 PolarHBondContact OG-OG1 3.12Å; S154-G158 CarbonylContact O-C 3.55Å; S154-G158 VanDerWaalsContact O-CA 3.31Å; S154-G158 WeakPolarHBondContact O-CA 3.42Å; S154-G158 PolarHBondContact O-N 3.28Å; S154-E159 PolarHBondContact N-O 2.65Å; S154-E159 PolarHBondContact O-N 3.21Å; S154-V161 WeakPolarHBondContact O-CG2 3.43Å
155A96.9Very high97.9Very high2 Ų243 Ų432%0.01724%0.24CC..THydrogen-bonded Turntrans-57.9-26.616900000112.6C26 L27 Q30 F36 N124C26-A155 HydrophobicContact CB-CB 3.6Å; L27-A155 HydrophobicContact CD2-CB 3.95Å; L27-A155 HydrophobicContact CG-CB 4.14Å; Q30-A155 WeakPolarHBondContact CG-O 3.47Å; Q30-A155 PolarHBondContact NE2-O 3.04Å; F36-A155 HydrophobicContact CD2-CB 4.36Å; F36-A155 WeakPolarHBondContact CD2-O 3.47Å; F36-A155 HydrophobicContact CE2-CB 4.47Å; N124-A155 PolarHBondContact OD1-N 3.34Å; N124-A155 VanDerWaalsContact OD1-N 3.12Å
156K96.5Very high97.9Very high115 Ų11538 Ų3850%0.522%0.218SC..THydrogen-bonded Turntrans-74.3-48.6-179.5-174.8-171-176.6-178.70112.3F36 D127 S154F36-K156 HydrophobicContact CD1-CB 4.33Å; F36-K156 HydrophobicContact CD1-CG 3.96Å; F36-K156 HydrophobicContact CD2-CB 4.17Å; F36-K156 HydrophobicContact CE1-CB 4.19Å; F36-K156 HydrophobicContact CE1-CG 3.85Å; F36-K156 HydrophobicContact CE2-CB 4.03Å; F36-K156 HydrophobicContact CG-CB 4.31Å; F36-K156 HydrophobicContact CG-CG 4.38Å; F36-K156 HydrophobicContact CZ-CB 4.04Å; F36-K156 HydrophobicContact CZ-CG 4.18Å; D127-K156 WeakPolarHBondContact OD2-CD 3.39Å; D127-K156 IonicContact OD2-NZ 2.7Å; S154-K156 PolarHBondContact O-N 3.3Å; S154-K156 PolarHBondContact OG-N 2.88Å
157T96.7Very high97.9Very high86 Ų8639.6 Ų39.653%0.52822%0.224SC..THydrogen-bonded Turntrans-88.5-20.3-178.166.60000112.4D127 S154 E159D127-T157 HydrophobicContact CB-CG2 3.91Å; S154-T157 VanDerWaalsContact CB-OG1 3.22Å; S154-T157 WeakPolarHBondContact CB-OG1 3.46Å; S154-T157 PolarHBondContact O-N 3.4Å; S154-T157 PolarHBondContact OG-N 2.67Å; S154-T157 VanDerWaalsContact OG-N 3.07Å; S154-T157 PolarHBondContact OG-OG1 3.12Å; T157-E159 VanDerWaalsContact C-N 3.3Å; T157-E159 VanDerWaalsContact OG1-CB 3.28Å; T157-E159 WeakPolarHBondContact OG1-CB 3.35Å; T157-E159 PolarHBondContact OG1-N 2.99Å
158G96.9Very high97.9Very high28 Ų2836.1 Ų36.129%0.28919%0.188SC..  trans86.7-1.4-172.100000113.6S154 N160 V161S154-G158 CarbonylContact O-C 3.55Å; S154-G158 VanDerWaalsContact O-CA 3.31Å; S154-G158 WeakPolarHBondContact O-CA 3.42Å; S154-G158 PolarHBondContact O-N 3.28Å; G158-N160 PolarHBondContact O-N 2.79Å; G158-V161 PolarHBondContact O-N 3.05Å
159E98.2Very high97.9Very high101 Ų10135.2 Ų35.247%0.47218%0.183SC..THydrogen-bonded Turntrans-57.6127.5178-178.6175.7-169.300111.4A153 S154 T157 V161A153-E159 VanDerWaalsContact CA-O 3.29Å; A153-E159 WeakPolarHBondContact CA-O 3.45Å; A153-E159 WeakPolarHBondContact CB-O 3.48Å; S154-E159 PolarHBondContact N-O 2.65Å; S154-E159 PolarHBondContact O-N 3.21Å; T157-E159 VanDerWaalsContact C-N 3.3Å; T157-E159 VanDerWaalsContact OG1-CB 3.28Å; T157-E159 WeakPolarHBondContact OG1-CB 3.35Å; T157-E159 PolarHBondContact OG1-N 2.99Å; E159-V161 PolarHBondContact O-N 2.86Å
160N98.1Very high97.8Very high60 Ų6036.9 Ų36.932%0.32119%0.188SC..THydrogen-bonded Turntrans53.28.2-179.1-56.8-26000115.9L151 E152 A153 G158 D163 A164L151-N160 HydrophobicContact CD1-CB 4.11Å; E152-N160 WeakPolarHBondContact O-CB 3.19Å; E152-N160 PolarHBondContact O-ND2 2.91Å; A153-N160 HydrophobicContact CB-CB 4.14Å; G158-N160 PolarHBondContact O-N 2.79Å; N160-D163 PolarHBondContact O-N 3.21Å; N160-A164 PolarHBondContact O-N 2.77Å
161V98.2Very high97.7Very high1 Ų138.6 Ų38.61%0.00620%0.196CC..Hα-helixtrans-65.2-44.5177.3177.80000109.8L27 Q30 F31 A153 S154 G158 E159 F165L27-V161 HydrophobicContact CD2-CG1 4.24Å; L27-V161 HydrophobicContact CD2-CG2 3.79Å; Q30-V161 HydrophobicContact CB-CG1 4.18Å; Q30-V161 HydrophobicContact CG-CB 4.26Å; Q30-V161 HydrophobicContact CG-CG1 4.03Å; Q30-V161 HydrophobicContact CG-CG2 4.01Å; F31-V161 HydrophobicContact CB-CG1 3.99Å; A153-V161 HydrophobicContact CB-CG2 4.41Å; S154-V161 WeakPolarHBondContact O-CG2 3.43Å; G158-V161 PolarHBondContact O-N 3.05Å; E159-V161 PolarHBondContact O-N 2.86Å; V161-F165 HydrophobicContact CG1-CE2 4.34Å; V161-F165 VanDerWaalsContact O-CD2 3.24Å; V161-F165 WeakPolarHBondContact O-CD2 3.31Å
162E97.4Very high97.6Very high45 Ų4537.6 Ų37.621%0.2119%0.19CC..Hα-helixtrans-61.3-48.6176.2-164.273.8-166.200110.7K34 R51 A164 F165 L166K34-E162 IonicContact NZ-OE2 3.12Å; K34-E162 PolarHBondContact NZ-OE2 3.46Å; R51-E162 IonicContact CZ-OE1 3.99Å; R51-E162 VanDerWaalsContact CZ-OE1 3.23Å; R51-E162 IonicContact CZ-OE2 3.87Å; R51-E162 VanDerWaalsContact NH1-CD 3.32Å; R51-E162 IonicContact NH1-OE1 3.13Å; R51-E162 PolarHBondContact NH1-OE1 3.45Å; R51-E162 VanDerWaalsContact NH1-OE1 3.12Å; R51-E162 IonicContact NH1-OE2 3.91Å; R51-E162 PolarHBondContact NH1-OE2 3.12Å; R51-E162 IonicContact NH2-OE1 3.45Å; R51-E162 PolarHBondContact NH2-OE1 3.02Å; R51-E162 IonicContact NH2-OE2 2.71Å; R51-E162 PolarHBondContact NH2-OE2 3.28Å; E162-A164 VanDerWaalsContact C-N 3.28Å; E162-A164 PolarHBondContact O-N 3.37Å; E162-F165 PolarHBondContact O-N 3.02Å; E162-L166 HydrophobicContact CG-CD1 3.96Å; E162-L166 HydrophobicContact CG-CD2 4.05Å; E162-L166 VanDerWaalsContact O-CD1 3.29Å; E162-L166 WeakPolarHBondContact O-CD1 3.22Å; E162-L166 PolarHBondContact O-N 3Å
163D98.2Very high97.4Very high68 Ų6837.8 Ų37.836%0.36419%0.19SC..Hα-helixtrans-60.1-37.6-176.6-58.7-51.9000112.1L151 N160 F165 L166 E167L151-D163 HydrophobicContact CD2-CB 4.19Å; N160-D163 PolarHBondContact O-N 3.21Å; D163-F165 VanDerWaalsContact C-N 3.32Å; D163-F165 PolarHBondContact O-N 3.33Å; D163-L166 PolarHBondContact O-N 2.99Å; D163-E167 WeakPolarHBondContact O-CB 3.48Å; D163-E167 VanDerWaalsContact O-CG 3.31Å; D163-E167 WeakPolarHBondContact O-CG 3.4Å; D163-E167 PolarHBondContact O-N 3.09Å
164A98.1Very high97.2Very high0 Ų042.4 Ų42.40%021%0.212CC..Hα-helixtrans-56-44.4177.600000113.3I120 I122 L151 N160 E162I120-A164 HydrophobicContact CD1-CB 4.4Å; I120-A164 WeakPolarHBondContact CD1-O 3.08Å; I122-A164 HydrophobicContact CD1-CB 3.76Å; I122-A164 HydrophobicContact CG1-CB 4.28Å; L151-A164 HydrophobicContact CD1-CB 3.99Å; L151-A164 HydrophobicContact CD2-CB 4.21Å; N160-A164 PolarHBondContact O-N 2.77Å; E162-A164 VanDerWaalsContact C-N 3.28Å; E162-A164 PolarHBondContact O-N 3.37Å
165F98.2Very high97Very high0 Ų043.3 Ų43.30%022%0.217CC..Hα-helixtrans-78.9-36.2-179.5-71.1-98.8000111.5Y14 I16 F31 L62 I64 L88 V161 E162 D163 A169Y14-F165 AromaticContact CD2-CD1 3.93Å; Y14-F165 HydrophobicContact CD2-CD1 3.93Å; Y14-F165 HydrophobicContact CD2-CE1 4.47Å; Y14-F165 HydrophobicContact CE2-CD1 4.14Å; Y14-F165 PolarHBondContact OH-O 3.29Å; I16-F165 HydrophobicContact CD1-CE1 4.49Å; I16-F165 HydrophobicContact CD1-CZ 4.21Å; F31-F165 HydrophobicContact CB-CD2 4.02Å; F31-F165 HydrophobicContact CB-CE2 3.69Å; F31-F165 HydrophobicContact CB-CZ 4.04Å; F31-F165 AromaticContact CD1-CD1 3.88Å; F31-F165 HydrophobicContact CD1-CD1 3.88Å; F31-F165 HydrophobicContact CD1-CD2 4.2Å; F31-F165 HydrophobicContact CD1-CE1 4.04Å; F31-F165 HydrophobicContact CD1-CE2 4.34Å; F31-F165 AromaticContact CD1-CG 3.96Å; F31-F165 HydrophobicContact CD1-CG 3.96Å; F31-F165 HydrophobicContact CD1-CZ 4.26Å; F31-F165 HydrophobicContact CD2-CB 4Å; F31-F165 AromaticContact CD2-CD2 3.62Å; F31-F165 HydrophobicContact CD2-CD2 3.62Å; F31-F165 HydrophobicContact CD2-CE2 4.2Å; F31-F165 AromaticContact CD2-CG 3.81Å; F31-F165 HydrophobicContact CD2-CG 3.81Å; F31-F165 HydrophobicContact CE1-CB 4.18Å; F31-F165 AromaticContact CE1-CD1 3.91Å; F31-F165 HydrophobicContact CE1-CD1 3.91Å; F31-F165 HydrophobicContact CE1-CE1 4.48Å; F31-F165 AromaticContact CE1-CG 3.99Å; F31-F165 HydrophobicContact CE1-CG 3.99Å; F31-F165 HydrophobicContact CE2-CB 3.56Å; F31-F165 HydrophobicContact CE2-CD2 4.11Å; F31-F165 AromaticContact CE2-CG 3.86Å; F31-F165 HydrophobicContact CE2-CG 3.86Å; F31-F165 HydrophobicContact CG-CB 4.48Å; F31-F165 HydrophobicContact CG-CD1 4.2Å; F31-F165 AromaticContact CG-CD2 3.67Å; F31-F165 HydrophobicContact CG-CD2 3.67Å; F31-F165 HydrophobicContact CG-CE1 4.35Å; F31-F165 AromaticContact CG-CE2 3.83Å; F31-F165 HydrophobicContact CG-CE2 3.83Å; F31-F165 AromaticContact CG-CG 3.86Å; F31-F165 HydrophobicContact CG-CG 3.86Å; F31-F165 HydrophobicContact CG-CZ 4.16Å; F31-F165 HydrophobicContact CZ-CB 3.66Å; F31-F165 HydrophobicContact CZ-CD1 4.27Å; F31-F165 AromaticContact CZ-CG 3.94Å; F31-F165 HydrophobicContact CZ-CG 3.94Å; L62-F165 HydrophobicContact CD1-CB 4.17Å; L62-F165 HydrophobicContact CD1-CD1 4.33Å; I64-F165 HydrophobicContact CD1-CD1 3.82Å; I64-F165 HydrophobicContact CD1-CE1 3.57Å; I64-F165 HydrophobicContact CG1-CD1 4.4Å; I64-F165 HydrophobicContact CG1-CE1 4.12Å; I64-F165 HydrophobicContact CG2-CE1 4.07Å; L88-F165 HydrophobicContact CD2-CD1 3.76Å; L88-F165 HydrophobicContact CD2-CD2 4.09Å; L88-F165 HydrophobicContact CD2-CE1 3.37Å; L88-F165 HydrophobicContact CD2-CE2 3.77Å; L88-F165 HydrophobicContact CD2-CG 4.1Å; L88-F165 HydrophobicContact CD2-CZ 3.4Å; V161-F165 HydrophobicContact CG1-CE2 4.34Å; V161-F165 VanDerWaalsContact O-CD2 3.24Å; V161-F165 WeakPolarHBondContact O-CD2 3.31Å; E162-F165 PolarHBondContact O-N 3.02Å; D163-F165 VanDerWaalsContact C-N 3.32Å; D163-F165 PolarHBondContact O-N 3.33Å; F165-A169 WeakPolarHBondContact O-CB 3.44Å; F165-A169 PolarHBondContact O-N 3.12Å; F165-A169 VanDerWaalsContact O-N 3.17Å
166L97.9Very high96.7Very high30 Ų3043.9 Ų43.916%0.15722%0.22CC..Hα-helixtrans-72.9-40.7-177.7-90.662000112.4F31 I53 E162 D163 A169 K170F31-L166 HydrophobicContact CE2-CD1 4.05Å; F31-L166 HydrophobicContact CZ-CD1 4.45Å; I53-L166 HydrophobicContact CB-CD1 4.46Å; I53-L166 HydrophobicContact CD1-CD1 4.1Å; I53-L166 HydrophobicContact CD1-CG 4.36Å; I53-L166 HydrophobicContact CG2-CD1 4.07Å; E162-L166 HydrophobicContact CG-CD1 3.96Å; E162-L166 HydrophobicContact CG-CD2 4.05Å; E162-L166 VanDerWaalsContact O-CD1 3.29Å; E162-L166 WeakPolarHBondContact O-CD1 3.22Å; E162-L166 PolarHBondContact O-N 3Å; D163-L166 PolarHBondContact O-N 2.99Å; L166-A169 WeakPolarHBondContact O-CB 3.3Å; L166-A169 PolarHBondContact O-N 3.25Å; L166-A169 VanDerWaalsContact O-N 3.09Å; L166-K170 WeakPolarHBondContact O-CB 3.28Å; L166-K170 VanDerWaalsContact O-CG 3.28Å; L166-K170 WeakPolarHBondContact O-CG 3.18Å; L166-K170 PolarHBondContact O-N 3.14Å
167E97.8Very high96.4Very high73 Ų7343.7 Ų43.734%0.34122%0.22SC..Hα-helixtrans-63.5-43.6177.6-72.6-53.9127.700111.7L149 D163 A169 K170 K171L149-E167 HydrophobicContact CD1-CB 4.48Å; D163-E167 WeakPolarHBondContact O-CB 3.48Å; D163-E167 VanDerWaalsContact O-CG 3.31Å; D163-E167 WeakPolarHBondContact O-CG 3.4Å; D163-E167 PolarHBondContact O-N 3.09Å; E167-A169 VanDerWaalsContact C-N 3.25Å; E167-A169 PolarHBondContact O-N 3.33Å; E167-K170 PolarHBondContact O-N 3.31Å; E167-K170 WeakPolarHBondContact OE1-CD 3.45Å; E167-K170 IonicContact OE1-NZ 3.23Å; E167-K170 PolarHBondContact OE1-NZ 3.32Å; E167-K171 PolarHBondContact O-N 3.16Å
168A97.9Very high96.1Very high0 Ų044.7 Ų44.70%022%0.222CC..Hα-helixtrans-58.4-40.5171.300000111.4Y14 V118 I120 K171 I172Y14-A168 HydrophobicContact CE2-CB 4.11Å; Y14-A168 WeakPolarHBondContact OH-CB 3.38Å; V118-A168 HydrophobicContact CG1-CB 4.39Å; I120-A168 HydrophobicContact CG2-CB 4.26Å; A168-K171 PolarHBondContact O-N 3.04Å; A168-I172 WeakPolarHBondContact O-CD1 3.42Å; A168-I172 VanDerWaalsContact O-CG1 3.25Å; A168-I172 WeakPolarHBondContact O-CG1 3.48Å; A168-I172 PolarHBondContact O-N 3.47Å
169A97.5Very high95.5Very high0 Ų046.3 Ų46.30%024%0.239CC..Hα-helixtrans-71.5-40.4-177.300000111.8F12 Y14 I53 V55 F165 L166 E167 K171 I172 Y173F12-A169 HydrophobicContact CD2-CB 4.37Å; F12-A169 HydrophobicContact CE2-CB 4.39Å; Y14-A169 WeakPolarHBondContact OH-CA 3.47Å; Y14-A169 VanDerWaalsContact OH-CB 3.29Å; Y14-A169 WeakPolarHBondContact OH-CB 3.29Å; Y14-A169 PolarHBondContact OH-N 2.73Å; I53-A169 HydrophobicContact CD1-CB 3.55Å; V55-A169 HydrophobicContact CG2-CB 3.95Å; F165-A169 WeakPolarHBondContact O-CB 3.44Å; F165-A169 PolarHBondContact O-N 3.12Å; F165-A169 VanDerWaalsContact O-N 3.17Å; L166-A169 WeakPolarHBondContact O-CB 3.3Å; L166-A169 PolarHBondContact O-N 3.25Å; L166-A169 VanDerWaalsContact O-N 3.09Å; E167-A169 VanDerWaalsContact C-N 3.25Å; E167-A169 PolarHBondContact O-N 3.33Å; A169-K171 VanDerWaalsContact C-N 3.33Å; A169-K171 PolarHBondContact O-N 3.43Å; A169-I172 PolarHBondContact O-N 3.44Å; A169-Y173 VanDerWaalsContact O-CB 3.31Å; A169-Y173 WeakPolarHBondContact O-CB 3.16Å; A169-Y173 PolarHBondContact O-N 2.95Å
170K97.5Very high94.7Very high88 Ų8844.1 Ų44.138%0.38324%0.235SC..Hα-helixtrans-57.2-47.3172.6-73.1169.1-170.3173.60110.6V55 L166 E167 Y173 Q174V55-K170 HydrophobicContact CG1-CB 4.34Å; V55-K170 HydrophobicContact CG1-CG 3.79Å; V55-K170 HydrophobicContact CG2-CG 4.49Å; L166-K170 WeakPolarHBondContact O-CB 3.28Å; L166-K170 VanDerWaalsContact O-CG 3.28Å; L166-K170 WeakPolarHBondContact O-CG 3.18Å; L166-K170 PolarHBondContact O-N 3.14Å; E167-K170 PolarHBondContact O-N 3.31Å; E167-K170 WeakPolarHBondContact OE1-CD 3.45Å; E167-K170 IonicContact OE1-NZ 3.23Å; E167-K170 PolarHBondContact OE1-NZ 3.32Å; K170-Y173 PolarHBondContact O-N 3.22Å; K170-Q174 WeakPolarHBondContact O-CB 3.36Å; K170-Q174 PolarHBondContact O-N 2.86Å
171K96.7Very high93.8Very high74 Ų7441.9 Ų41.932%0.32222%0.223SC..Hα-helixtrans-66.7-42.2-179.7-175.556.2176.7163.50112.6V118 L149 E167 A168 A169 Y173 Q174 N175V118-K171 HydrophobicContact CG1-CB 3.99Å; V118-K171 HydrophobicContact CG1-CG 3.93Å; V118-K171 HydrophobicContact CG2-CB 4.18Å; V118-K171 HydrophobicContact CG2-CG 3.72Å; L149-K171 HydrophobicContact CD1-CB 4.09Å; E167-K171 PolarHBondContact O-N 3.16Å; A168-K171 PolarHBondContact O-N 3.04Å; A169-K171 VanDerWaalsContact C-N 3.33Å; A169-K171 PolarHBondContact O-N 3.43Å; K171-Y173 VanDerWaalsContact C-N 3.35Å; K171-Q174 PolarHBondContact O-N 2.92Å; K171-N175 WeakPolarHBondContact CE-OD1 3.27Å; K171-N175 PolarHBondContact NZ-OD1 3.43Å; K171-N175 VanDerWaalsContact O-CG 3.23Å; K171-N175 PolarHBondContact O-N 3.48Å; K171-N175 PolarHBondContact O-OD1 3.02Å
172I95.6Very high92.8Very high1 Ų146.2 Ų46.21%0.00525%0.246CC..Hα-helixtrans-61.4-46.2174.3-66.1162.3000110.1F12 Y14 A85 V118 A168 A169 Q174 N175 I176 L181 V190F12-I172 HydrophobicContact CD1-CG2 4.16Å; F12-I172 HydrophobicContact CD2-CB 4.1Å; F12-I172 HydrophobicContact CD2-CD1 4.12Å; F12-I172 HydrophobicContact CD2-CG2 3.85Å; F12-I172 HydrophobicContact CE1-CG2 3.91Å; F12-I172 HydrophobicContact CE2-CB 3.75Å; F12-I172 HydrophobicContact CE2-CG2 3.54Å; F12-I172 HydrophobicContact CG-CG2 4.17Å; F12-I172 HydrophobicContact CZ-CB 4.23Å; F12-I172 HydrophobicContact CZ-CG2 3.59Å; Y14-I172 HydrophobicContact CD1-CD1 4.45Å; Y14-I172 HydrophobicContact CE1-CD1 3.44Å; Y14-I172 VanDerWaalsContact CE1-CD1 3.44Å; A85-I172 HydrophobicContact CB-CD1 4.02Å; A85-I172 HydrophobicContact CB-CG2 4.35Å; A85-I172 WeakPolarHBondContact O-CD1 3.42Å; V118-I172 HydrophobicContact CB-CD1 4.28Å; V118-I172 HydrophobicContact CB-CG1 3.71Å; V118-I172 HydrophobicContact CG2-CB 4.46Å; V118-I172 HydrophobicContact CG2-CG1 3.48Å; V118-I172 VanDerWaalsContact CG2-CG1 3.48Å; A168-I172 WeakPolarHBondContact O-CD1 3.42Å; A168-I172 VanDerWaalsContact O-CG1 3.25Å; A168-I172 WeakPolarHBondContact O-CG1 3.48Å; A168-I172 PolarHBondContact O-N 3.47Å; A169-I172 PolarHBondContact O-N 3.44Å; I172-Q174 VanDerWaalsContact C-N 3.34Å; I172-Q174 PolarHBondContact O-N 2.93Å; I172-N175 WeakPolarHBondContact O-CB 3.38Å; I172-N175 PolarHBondContact O-N 2.82Å; I172-I176 HydrophobicContact CG2-CD1 4.4Å; I172-I176 WeakPolarHBondContact O-CG1 3.22Å; I172-I176 PolarHBondContact O-N 3.07Å; I172-L181 HydrophobicContact CG2-CD1 4.14Å; I172-V190 HydrophobicContact CG2-CG2 3.85Å
173Y95Very high91.8Very high22 Ų2246.8 Ų46.89%0.08625%0.25CS..Hα-helixtrans-62.6-41178.7-176.4-107.2000112.2Y10 V55 Q58 I60 A169 K170 K171 N175 I176 Q177Y10-Y173 HydrophobicContact CD2-CE2 4.38Å; Y10-Y173 HydrophobicContact CE2-CD2 4.31Å; Y10-Y173 AromaticContact CE2-CE2 3.77Å; Y10-Y173 HydrophobicContact CE2-CE2 3.77Å; V55-Y173 HydrophobicContact CG1-CD1 4.24Å; V55-Y173 HydrophobicContact CG1-CG 4.38Å; Q58-Y173 HydrophobicContact CB-CE2 4.27Å; Q58-Y173 HydrophobicContact CG-CE2 3.78Å; Q58-Y173 VanDerWaalsContact CG-OH 3.3Å; Q58-Y173 WeakPolarHBondContact CG-OH 3.42Å; I60-Y173 HydrophobicContact CD1-CD2 4.41Å; A169-Y173 VanDerWaalsContact O-CB 3.31Å; A169-Y173 WeakPolarHBondContact O-CB 3.16Å; A169-Y173 PolarHBondContact O-N 2.95Å; K170-Y173 PolarHBondContact O-N 3.22Å; K171-Y173 VanDerWaalsContact C-N 3.35Å; Y173-N175 PolarHBondContact O-N 2.81Å; Y173-I176 WeakPolarHBondContact O-CB 3.05Å; Y173-I176 PolarHBondContact O-N 3.18Å; Y173-I176 VanDerWaalsContact O-N 3.15Å; Y173-Q177 HydrophobicContact CD1-CG 4.19Å; Y173-Q177 HydrophobicContact CE1-CG 3.77Å; Y173-Q177 HydrophobicContact CE2-CG 4.49Å; Y173-Q177 WeakPolarHBondContact O-CG 3.24Å; Y173-Q177 PolarHBondContact O-N 3.43Å; Y173-Q177 PolarHBondContact OH-NE2 3.31Å
174Q94.4Very high90.6Very high96 Ų9650.8 Ų50.845%0.44927%0.272SS..Hα-helixtrans-58.5-47.1173-174.9-178.712.400111.3K170 K171 I172 I176 Q177 D178K170-Q174 WeakPolarHBondContact O-CB 3.36Å; K170-Q174 PolarHBondContact O-N 2.86Å; K171-Q174 PolarHBondContact O-N 2.92Å; I172-Q174 VanDerWaalsContact C-N 3.34Å; I172-Q174 PolarHBondContact O-N 2.93Å; Q174-I176 PolarHBondContact O-N 3.21Å; Q174-Q177 PolarHBondContact O-N 3.23Å; Q174-D178 VanDerWaalsContact O-CG 3.3Å; Q174-D178 PolarHBondContact O-N 2.59Å
175N92.8Very high89.4Confident20 Ų2052.5 Ų52.511%0.10729%0.286CS..Hα-helixtrans-59.3-31.6177.2-69.7-0.6000112.5K171 I172 Y173 S180 L181K171-N175 WeakPolarHBondContact CE-OD1 3.27Å; K171-N175 PolarHBondContact NZ-OD1 3.43Å; K171-N175 VanDerWaalsContact O-CG 3.23Å; K171-N175 PolarHBondContact O-N 3.48Å; K171-N175 PolarHBondContact O-OD1 3.02Å; I172-N175 WeakPolarHBondContact O-CB 3.38Å; I172-N175 PolarHBondContact O-N 2.82Å; Y173-N175 PolarHBondContact O-N 2.81Å; N175-S180 VanDerWaalsContact C-OG 3.32Å; N175-S180 VanDerWaalsContact CA-OG 3.25Å; N175-S180 WeakPolarHBondContact CA-OG 3Å; N175-S180 VanDerWaalsContact CB-OG 3.25Å; N175-S180 WeakPolarHBondContact CB-OG 3.08Å; N175-S180 PolarHBondContact O-N 3.04Å; N175-S180 PolarHBondContact O-OG 3.13Å; N175-L181 HydrophobicContact CB-CD1 3.54Å; N175-L181 HydrophobicContact CB-CG 3.98Å; N175-L181 PolarHBondContact O-N 2.96Å
176I90.8Very high88Confident14 Ų1457.2 Ų57.27%0.07233%0.325CS..Hα-helixtrans-68.1-47.6171.8-62.3167.4000110.7Y10 F12 I172 Y173 Q174 D178 G179 L181 L183 V190Y10-I176 HydrophobicContact CD1-CD1 4.25Å; Y10-I176 HydrophobicContact CE1-CD1 4.22Å; Y10-I176 HydrophobicContact CE1-CG2 4.47Å; F12-I176 HydrophobicContact CE1-CD1 3.67Å; F12-I176 HydrophobicContact CZ-CD1 3.73Å; I172-I176 HydrophobicContact CG2-CD1 4.4Å; I172-I176 WeakPolarHBondContact O-CG1 3.22Å; I172-I176 PolarHBondContact O-N 3.07Å; Y173-I176 WeakPolarHBondContact O-CB 3.05Å; Y173-I176 PolarHBondContact O-N 3.18Å; Y173-I176 VanDerWaalsContact O-N 3.15Å; Q174-I176 PolarHBondContact O-N 3.21Å; I176-D178 VanDerWaalsContact C-N 3.28Å; I176-D178 PolarHBondContact O-N 2.95Å; I176-G179 PolarHBondContact O-N 3.44Å; I176-G179 VanDerWaalsContact O-N 3.1Å; I176-L181 HydrophobicContact CG1-CB 4.23Å; I176-L181 HydrophobicContact CG1-CD1 3.73Å; I176-L183 HydrophobicContact CD1-CD2 4.15Å; I176-L183 HydrophobicContact CG1-CD2 3.99Å; I176-L183 HydrophobicContact CG2-CD1 3.96Å; I176-L183 HydrophobicContact CG2-CD2 3.99Å; I176-L183 HydrophobicContact CG2-CG 4.3Å; I176-V190 HydrophobicContact CD1-CG1 3.72Å; I176-V190 HydrophobicContact CD1-CG2 4.24Å
177Q90.5Very high86.9Confident111 Ų11160.8 Ų60.852%0.51934%0.341SS..Hα-helixtrans-62.8-37.1-179.3-65-56.2-74.900112Y173 Q174 G179Y173-Q177 HydrophobicContact CD1-CG 4.19Å; Y173-Q177 HydrophobicContact CE1-CG 3.77Å; Y173-Q177 HydrophobicContact CE2-CG 4.49Å; Y173-Q177 WeakPolarHBondContact O-CG 3.24Å; Y173-Q177 PolarHBondContact O-N 3.43Å; Y173-Q177 PolarHBondContact OH-NE2 3.31Å; Q174-Q177 PolarHBondContact O-N 3.23Å; Q177-G179 PolarHBondContact O-N 3.37Å
178D90.8Very high86.1Confident106 Ų10657.7 Ų57.757%0.56733%0.327SS*.THydrogen-bonded Turntrans-75.3-3.2178.5-63.2-17.5000112.6Q174 I176 S180Q174-D178 VanDerWaalsContact O-CG 3.3Å; Q174-D178 PolarHBondContact O-N 2.59Å; I176-D178 VanDerWaalsContact C-N 3.28Å; I176-D178 PolarHBondContact O-N 2.95Å; D178-S180 PolarHBondContact O-N 2.99Å
179G84.3Confident85.4Confident62 Ų6258.2 Ų58.264%0.63933%0.333SS*.THydrogen-bonded Turntrans71.49.8-178.100000114.4I176 Q177 L181I176-G179 PolarHBondContact O-N 3.44Å; I176-G179 VanDerWaalsContact O-N 3.1Å; Q177-G179 PolarHBondContact O-N 3.37Å; G179-L181 VanDerWaalsContact C-N 3.27Å; G179-L181 PolarHBondContact O-N 2.87Å
180S81.2Confident84.9Confident55 Ų5558.5 Ų58.539%0.38534%0.335SS..  trans-75.1-15.2178.970.20000113.6N116 N175 D178N116-S180 PolarHBondContact ND2-O 2.81Å; N116-S180 VanDerWaalsContact ND2-O 3.12Å; N175-S180 VanDerWaalsContact C-OG 3.32Å; N175-S180 VanDerWaalsContact CA-OG 3.25Å; N175-S180 WeakPolarHBondContact CA-OG 3Å; N175-S180 VanDerWaalsContact CB-OG 3.25Å; N175-S180 WeakPolarHBondContact CB-OG 3.08Å; N175-S180 PolarHBondContact O-N 3.04Å; N175-S180 PolarHBondContact O-OG 3.13Å; D178-S180 PolarHBondContact O-N 2.99Å
181L79.7Confident84.4Confident13 Ų1359.7 Ų59.77%0.06834%0.342CS..SBendtrans-109.6119.1176.7-81167.5000110.9N116 I172 N175 I176 G179 L183N116-L181 HydrophobicContact CB-CD2 3.47Å; N116-L181 VanDerWaalsContact CB-CD2 3.47Å; N116-L181 HydrophobicContact CB-CG 4.33Å; I172-L181 HydrophobicContact CG2-CD1 4.14Å; N175-L181 HydrophobicContact CB-CD1 3.54Å; N175-L181 HydrophobicContact CB-CG 3.98Å; N175-L181 PolarHBondContact O-N 2.96Å; I176-L181 HydrophobicContact CG1-CB 4.23Å; I176-L181 HydrophobicContact CG1-CD1 3.73Å; G179-L181 VanDerWaalsContact C-N 3.27Å; G179-L181 PolarHBondContact O-N 2.87Å; L181-L183 PolarHBondContact O-N 3.08Å
182D75.9Confident83.9Confident93 Ų9360.5 Ų60.550%0.49735%0.346SS..  trans-74.6107168.6-178.38.1000110.2N184 A185 S188D182-N184 PolarHBondContact O-N 2.83Å; D182-N184 WeakPolarHBondContact OD1-CB 3.44Å; D182-N184 PolarHBondContact OD1-N 2.7Å; D182-A185 HydrophobicContact CB-CB 4.12Å; D182-A185 PolarHBondContact O-N 2.87Å; D182-S188 WeakPolarHBondContact O-CB 3.39Å
183L76.4Confident83.1Confident56 Ų5665 Ų6529%0.29337%0.365SS..THydrogen-bonded Turntrans-69.8-16.9179-63.5-179.6000113.5I176 L181 V190 H192I176-L183 HydrophobicContact CD1-CD2 4.15Å; I176-L183 HydrophobicContact CG1-CD2 3.99Å; I176-L183 HydrophobicContact CG2-CD1 3.96Å; I176-L183 HydrophobicContact CG2-CD2 3.99Å; I176-L183 HydrophobicContact CG2-CG 4.3Å; L181-L183 PolarHBondContact O-N 3.08Å; L183-V190 HydrophobicContact CD2-CB 4.12Å; L183-V190 HydrophobicContact CD2-CG1 3.55Å; L183-H192 HydrophobicContact CD1-CB 4.43Å
184N73Confident81.5Confident153 Ų15368.8 Ų68.882%0.81839%0.393SS*.THydrogen-bonded Turntrans-86.5-16.7177.4-60.2-51.5000112.1D182 A186D182-N184 PolarHBondContact O-N 2.83Å; D182-N184 WeakPolarHBondContact OD1-CB 3.44Å; D182-N184 PolarHBondContact OD1-N 2.7Å; N184-A186 PolarHBondContact O-N 3.35Å
185A73.3Confident79.8Confident36 Ų3668.5 Ų68.530%0.29840%0.402SS..  trans-73114.7174.500000109.8D182 E187 S188D182-A185 HydrophobicContact CB-CB 4.12Å; D182-A185 PolarHBondContact O-N 2.87Å; A185-E187 PolarHBondContact O-N 2.9Å; A185-S188 WeakPolarHBondContact O-CB 3.42Å; A185-S188 PolarHBondContact O-N 2.72Å; A185-S188 PolarHBondContact O-OG 2.86Å
186A68.4Low77.8Confident99 Ų9971.4 Ų71.482%0.81843%0.429SS*.G310 helixtrans-56-21.5175.500000113N184N184-A186 PolarHBondContact O-N 3.35Å
187E76.5Confident75.5Confident104 Ų10476.5 Ų76.549%0.48646%0.463SS..G310 helixtrans-85.9-6.8-179.2-52.6-163.7146.500113.7R82 N114 A185 G189R82-E187 IonicContact CZ-OE1 3.49Å; R82-E187 IonicContact NE-OE1 3.48Å; R82-E187 PolarHBondContact NE-OE1 3.01Å; R82-E187 IonicContact NH2-OE1 2.73Å; R82-E187 PolarHBondContact NH2-OE1 3.12Å; N114-E187 PolarHBondContact ND2-O 2.89Å; A185-E187 PolarHBondContact O-N 2.9Å; E187-G189 PolarHBondContact O-N 2.95Å
188S80.5Confident73.3Confident8 Ų879.7 Ų79.76%0.05648%0.477CS..G310 helixtrans-65-25177.8670000113N114 D182 A185 V190N114-S188 VanDerWaalsContact ND2-C 3.28Å; N114-S188 VanDerWaalsContact ND2-CA 3.32Å; N114-S188 WeakPolarHBondContact ND2-CA 3.34Å; N114-S188 PolarHBondContact ND2-O 3.45Å; D182-S188 WeakPolarHBondContact O-CB 3.39Å; A185-S188 WeakPolarHBondContact O-CB 3.42Å; A185-S188 PolarHBondContact O-N 2.72Å; A185-S188 PolarHBondContact O-OG 2.86Å; S188-V190 PolarHBondContact O-N 3.39Å; S188-V190 PolarHBondContact OG-N 2.64Å; S188-V190 PolarHBondContact OG-O 2.7Å
189G82.7Confident70.6Confident12 Ų1277.9 Ų77.912%0.12448%0.484CS..SBendtrans72.16.4-17300000114.8K13 G83 E187K13-G189 PolarHBondContact N-O 2.61Å; G83-G189 WeakPolarHBondContact O-CA 3.3Å; E187-G189 PolarHBondContact O-N 2.95Å
190V86.7Confident68.4Low6 Ų678.4 Ų78.44%0.03649%0.49CS..EExtended strand (participates in β ladder)trans-110.1127.4176.6177.10000108.8Y10 I11 F12 A85 I172 I176 L183 S188Y10-V190 HydrophobicContact CD1-CG1 4.02Å; I11-V190 WeakPolarHBondContact O-CA 3.2Å; F12-V190 HydrophobicContact CD1-CB 4.27Å; F12-V190 HydrophobicContact CD1-CG1 3.94Å; F12-V190 HydrophobicContact CD1-CG2 3.78Å; F12-V190 HydrophobicContact CE1-CB 4.35Å; F12-V190 HydrophobicContact CE1-CG1 3.67Å; F12-V190 HydrophobicContact CE1-CG2 3.88Å; A85-V190 HydrophobicContact CB-CG2 3.9Å; I172-V190 HydrophobicContact CG2-CG2 3.85Å; I176-V190 HydrophobicContact CD1-CG1 3.72Å; I176-V190 HydrophobicContact CD1-CG2 4.24Å; L183-V190 HydrophobicContact CD2-CB 4.12Å; L183-V190 HydrophobicContact CD2-CG1 3.55Å; S188-V190 PolarHBondContact O-N 3.39Å; S188-V190 PolarHBondContact OG-N 2.64Å; S188-V190 PolarHBondContact OG-O 2.7Å
191Q87.6Confident66.3Low113 Ų11386.6 Ų86.653%0.52851%0.512SS..EExtended strand (participates in β ladder)trans-113.4122.5168.9-55.2176.810.600109.1Y10 I11Y10-Q191 CarbonylContact C-O 3.58Å; Y10-Q191 VanDerWaalsContact CA-O 3.28Å; Y10-Q191 WeakPolarHBondContact CA-O 3.37Å; I11-Q191 HydrophobicContact CB-CB 4.11Å; I11-Q191 HydrophobicContact CD1-CB 4.49Å; I11-Q191 HydrophobicContact CG1-CB 4.47Å; I11-Q191 PolarHBondContact N-O 2.74Å; I11-Q191 PolarHBondContact O-N 3.18Å
192H86.3Confident64.4Low91 Ų9194.2 Ų94.242%0.42155%0.552SS.*EExtended strand (participates in β ladder)trans-89.6123.8169.7-179.6-123.2000109.4S9 Y10 L183 P194S9-H192 PolarHBondContact O-CD2 3.15Å; Y10-H192 HydrophobicContact CD1-CB 4.16Å; Y10-H192 AromaticContact CD1-CD2 3.94Å; Y10-H192 HydrophobicContact CE1-CB 3.97Å; Y10-H192 AromaticContact CE1-CD2 3.4Å; Y10-H192 WeakPolarHBondContact CE1-CD2 3.2Å; Y10-H192 AromaticContact CE1-CG 3.95Å; Y10-H192 AromaticContact CZ-CD2 3.59Å; L183-H192 HydrophobicContact CD1-CB 4.43Å; H192-P194 WeakPolarHBondContact O-CD 3.46Å
193K78.5Confident62.6Low94 Ų9495.6 Ų95.641%0.40956%0.564SS.*  trans-95.5111.9168.5-73.3-167.6172.5-173.60107.8Y8 S9 S195Y8-K193 HydrophobicContact CD2-CD 4.27Å; Y8-K193 HydrophobicContact CE2-CD 3.6Å; Y8-K193 HydrophobicContact CE2-CG 4.4Å; Y8-K193 PolarHBondContact OH-NZ 3.48Å; S9-K193 PolarHBondContact O-N 3.41Å; K193-S195 PolarHBondContact O-N 3.21Å; K193-S195 VanDerWaalsContact O-N 3.11Å
194P61.9Low60.7Low103 Ų10398.2 Ų98.267%0.66959%0.587SS**PPolyproline II helixtrans-56.7123.4165.5-15.328.4000107.1H192 A196H192-P194 WeakPolarHBondContact O-CD 3.46Å; P194-A196 PolarHBondContact O-N 3.03Å
195S57.9Low59Low90 Ų9099.4 Ų99.463%0.62959%0.587SS**PPolyproline II helixtrans-54.2117.3167.1290000106.9K193K193-S195 PolarHBondContact O-N 3.21Å; K193-S195 VanDerWaalsContact O-N 3.11Å
196A51.6Low57.4Low81 Ų81103.5 Ų103.567%0.66961%0.611SS**PPolyproline II helixtrans-51.1130.5174.800000107.7P194 Q198P194-A196 PolarHBondContact O-N 3.03Å; A196-Q198 PolarHBondContact O-N 3.11Å
197P42.6Very low56Low121 Ų121107.5 Ų107.579%0.78661%0.613SS**  trans-56.7113.2-177.918.1-28.3000108.7G199P197-G199 PolarHBondContact O-N 3.42Å
198Q42.9Very low54.3Low177 Ų177108.3 Ų108.383%0.82763%0.627SS**SBendtrans-63.1109.2170.8-75.3-177.96.900107.2A196A196-Q198 PolarHBondContact O-N 3.11Å
199G35.5Very low52.4Low68 Ų68117 Ų11770%0.70167%0.667SS**  trans85.769.9167.600000114.8P197 R201P197-G199 PolarHBondContact O-N 3.42Å; G199-R201 PolarHBondContact O-N 2.84Å
200G36.8Very low50.5Low74 Ų74128.2 Ų128.276%0.76371%0.705SS**  trans-62.888.8142.400000108L202G200-L202 PolarHBondContact O-N 3.22Å; G200-L202 VanDerWaalsContact O-N 3.15Å
201R37.9Very low48.4Very low227 Ų227137.1 Ų137.186%0.85775%0.746SS**  trans-51.7117.7171.8-160174.5-169177.21.9106.6G199 T203G199-R201 PolarHBondContact O-N 2.84Å; R201-T203 VanDerWaalsContact C-N 3.31Å; R201-T203 PolarHBondContact O-N 2.7Å
202L40Very low46Very low173 Ų173135.5 Ų135.591%0.90676%0.76SS**  trans-52.9100.3169.7-74.9159.6000107.2G200 S204G200-L202 PolarHBondContact O-N 3.22Å; G200-L202 VanDerWaalsContact O-N 3.15Å; L202-S204 PolarHBondContact O-N 2.98Å; L202-S204 VanDerWaalsContact O-N 3.08Å
203T38.1Very low43.7Very low122 Ų122137 Ų13775%0.74878%0.779SS**  trans-67.2105.7166.943.60000105.5R201 E205R201-T203 VanDerWaalsContact C-N 3.31Å; R201-T203 PolarHBondContact O-N 2.7Å; T203-E205 VanDerWaalsContact C-N 3.33Å; T203-E205 PolarHBondContact O-N 3.24Å
204S36.6Very low41.9Very low111 Ų111136.2 Ų136.278%0.77680%0.798SS**  trans-55.799.9164.150.80000107.6L202L202-S204 PolarHBondContact O-N 2.98Å; L202-S204 VanDerWaalsContact O-N 3.08Å
205E37.4Very low41.5Very low177 Ų177140.6 Ų140.683%0.82783%0.829SS**PPolyproline II helixtrans-64.3133170.5-78.3-178.113500108.9T203T203-E205 VanDerWaalsContact C-N 3.33Å; T203-E205 PolarHBondContact O-N 3.24Å
206P39.7Very low40.7Very low122 Ų122143.2 Ų143.279%0.79284%0.839SS**PPolyproline II helixtrans-73135-176.8-9.225.3000110.7
207Q39Very low40.2Very low184 Ų184146.4 Ų146.486%0.8685%0.848SS**PPolyproline II helixtrans-57130.5169.3-75.9175.3-17.300110.7Q209Q207-Q209 PolarHBondContact O-N 3.11Å
208P39.8Very low40Very low121 Ų121147.8 Ų147.879%0.78685%0.852SS**PPolyproline II helixtrans-71.2122.617326.3-29.7000110.1R210P208-R210 PolarHBondContact O-N 3.05Å
209Q40.9Very low39.9Very low191 Ų191146.1 Ų146.189%0.89385%0.853SS**PPolyproline II helixtrans-61.1123.9169.7-77.1174.9-1500109.1Q207 E211Q207-Q209 PolarHBondContact O-N 3.11Å; Q209-E211 PolarHBondContact O-N 2.86Å
210R43.6Very low40.1Very low247 Ų247151 Ų15193%0.93286%0.863SS**  trans-65.8111.3176.2-73.8177.4170.3-177-4109.7P208P208-R210 PolarHBondContact O-N 3.05Å
211E42.4Very low40.4Very low192 Ų192156.1 Ų156.190%0.89787%0.869SS**  trans-70.3136159.6-78.8-176.8149.700110Q209Q209-E211 PolarHBondContact O-N 2.86Å
212G37.8Very low40.5Very low79 Ų79151.1 Ų151.181%0.81487%0.87SS**  trans-72.9146.9178.600000112.5
213C36.8Very low40.6Very low122 Ų122149.4 Ų149.482%0.82487%0.868SS**  trans-132.4100.5156.3-169.10000106
214G40.5Very low40.8Very low78 Ų78151.7 Ų151.780%0.80488%0.878SS**  trans-95.9116.9166.900000107.9
215C54.8Low41.2Very low196 Ų196155.4 Ų155.4100%1.32489%0.887SS**  trans-125.50156.4-710000106.4

Retrieved 215 of 215 residues in 48.1 ms (Link to these results)

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