A0A5K4F8P4_SCHMA Loading...

Aurora kinase

AlphaFold DB , UniProt , Accession A0A5K4F8P4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 218 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
1M51.7Low82.4Confident137 Ų13761.5 Ų61.568%0.67531%0.314SS*.  0-13.60-69.8179.3-143.700113.8H3 L4 F91M1-H3 PolarHBondContact O-N 3.1Å; M1-L4 PolarHBondContact O-N 3.33Å; M1-F91 HydrophobicContact CE-CB 3.65Å; M1-F91 HydrophobicContact CG-CB 4.39Å; M1-F91 HydrophobicContact SD-CB 3.85Å; M1-F91 HydrophobicContact SD-CD2 4.49Å
2C54.2Low82.9Confident65 Ų6558.8 Ų58.844%0.43930%0.301SS..THydrogen-bonded Turntrans-64.57.7-176.8-52.70000116.8
3H72.1Confident83.3Confident153 Ų15365.8 Ų65.871%0.70832%0.323SS*.THydrogen-bonded Turntrans-131.2-1.5-174.6-59.4-57.6000114.8M1 Q5 Y62M1-H3 PolarHBondContact O-N 3.1Å; H3-Q5 PolarHBondContact O-N 3.31Å; H3-Y62 PolarHBondContact O-OH 2.83Å
4L81.3Confident83.8Confident21 Ų2166.4 Ų66.411%0.1133%0.332CS..  trans-83.4108.5171.8-62.7-179.3000108.2M1 I9 Y62 M66 V68 F91M1-L4 PolarHBondContact O-N 3.33Å; L4-I9 HydrophobicContact CB-CD1 4.43Å; L4-I9 HydrophobicContact CB-CG2 4.49Å; L4-Y62 HydrophobicContact CB-CE1 3.96Å; L4-Y62 HydrophobicContact CD2-CD1 4.24Å; L4-Y62 HydrophobicContact CD2-CE1 3.55Å; L4-Y62 HydrophobicContact CG-CE1 4.33Å; L4-M66 HydrophobicContact CD2-CB 3.84Å; L4-M66 HydrophobicContact CD2-CG 3.91Å; L4-V68 HydrophobicContact CD2-CG2 4.5Å; L4-F91 HydrophobicContact CD1-CD1 4.24Å; L4-F91 HydrophobicContact CD1-CE1 3.76Å; L4-F91 HydrophobicContact CD1-CE2 4.5Å; L4-F91 HydrophobicContact CD1-CZ 3.91Å
5Q87.9Confident84.2Confident135 Ų13571 Ų7163%0.63135%0.345SS*.  trans-120.5106.1177.2-70-175.7-7.100108.3H3 Y62H3-Q5 PolarHBondContact O-N 3.31Å; Q5-Y62 PolarHBondContact N-OH 3.49Å; Q5-Y62 PolarHBondContact O-OH 2.8Å
6H92.7Very high84.7Confident24 Ų2473.3 Ų73.311%0.11135%0.353CS..  trans-152.3139.4-178.1-168.7-94.2000109.5H8 I9 D58 Y62H6-H8 AromaticContact CE1-CD2 3.86Å; H6-H8 PolarHBondContact ND1-N 3.43Å; H6-H8 VanDerWaalsContact ND1-N 3.17Å; H6-H8 PolarHBondContact O-N 2.78Å; H6-I9 HydrophobicContact CB-CB 4.03Å; H6-I9 HydrophobicContact CB-CD1 3.67Å; H6-I9 HydrophobicContact CB-CG1 3.8Å; H6-I9 PolarHBondContact O-N 3.4Å; H6-D58 IonicContact CE1-OD2 3.68Å; H6-D58 PolarHBondContact CE1-OD2 3.24Å; H6-D58 IonicContact NE2-OD1 2.91Å; H6-D58 IonicContact NE2-OD2 2.84Å; H6-D58 PolarHBondContact NE2-OD2 3.02Å; H6-Y62 HydrophobicContact CB-CD1 3.96Å; H6-Y62 HydrophobicContact CB-CE1 4.22Å; H6-Y62 HydrophobicContact CB-CG 4.22Å; H6-Y62 AromaticContact CD2-CG 3.77Å
7P93.4Very high85.1Confident57 Ų5777 Ų7737%0.3737%0.37SS..THydrogen-bonded Turntrans-56.9-28-178.521.5-34.4000113.7K87P7-K87 WeakPolarHBondContact O-CD 3.47Å; P7-K87 WeakPolarHBondContact O-CE 3.29Å; P7-K87 PolarHBondContact O-NZ 3.22Å
8H95.2Very high85.6Confident17 Ų1776.2 Ų76.28%0.07937%0.368CS..THydrogen-bonded Turntrans-103.816.7-178.8-58.2-52.7000114.5H6 Q55 D58 A59 L86 L88H6-H8 AromaticContact CE1-CD2 3.86Å; H6-H8 PolarHBondContact ND1-N 3.43Å; H6-H8 VanDerWaalsContact ND1-N 3.17Å; H6-H8 PolarHBondContact O-N 2.78Å; H8-Q55 HydrophobicContact CB-CB 4.41Å; H8-Q55 VanDerWaalsContact CE1-CG 3.41Å; H8-Q55 WeakPolarHBondContact CE1-CG 3.43Å; H8-D58 IonicContact CD2-OD2 2.8Å; H8-A59 HydrophobicContact CB-CB 3.95Å; H8-L86 WeakPolarHBondContact CA-O 3.46Å; H8-L86 PolarHBondContact ND1-O 3.39Å; H8-L88 WeakPolarHBondContact O-CB 3.35Å; H8-L88 PolarHBondContact O-N 3.01Å
9I94.2Very high85.9Confident3 Ų380.6 Ų80.62%0.01539%0.387CS..BIsolated β-bridgetrans-118.4136.6171.3-63.6175.8000107.9L4 H6 Q11 A59 Y62 C63 L88 F91L4-I9 HydrophobicContact CB-CD1 4.43Å; L4-I9 HydrophobicContact CB-CG2 4.49Å; H6-I9 HydrophobicContact CB-CB 4.03Å; H6-I9 HydrophobicContact CB-CD1 3.67Å; H6-I9 HydrophobicContact CB-CG1 3.8Å; H6-I9 PolarHBondContact O-N 3.4Å; I9-Q11 PolarHBondContact O-N 3.09Å; I9-A59 HydrophobicContact CD1-CB 4.47Å; I9-A59 HydrophobicContact CG1-CB 3.91Å; I9-Y62 HydrophobicContact CD1-CD1 3.65Å; I9-Y62 HydrophobicContact CD1-CE1 4.15Å; I9-C63 VanDerWaalsContact CD1-SG 3.52Å; I9-L88 HydrophobicContact CG1-CB 4.39Å; I9-F91 HydrophobicContact CD1-CZ 4.4Å; I9-F91 HydrophobicContact CG2-CE2 3.71Å; I9-F91 HydrophobicContact CG2-CZ 3.82Å
10L92.9Very high86.3Confident23 Ų2385 Ų8512%0.1240%0.404CS..  trans-63.1118.9178.4-16774.3000110.3L12 L26 E27 A29 L79 K87 L88L10-L12 PolarHBondContact O-N 3.21Å; L10-L26 HydrophobicContact CD2-CB 4.15Å; L10-L26 HydrophobicContact CD2-CD1 4.02Å; L10-L26 HydrophobicContact CD2-CD2 4.36Å; L10-L26 HydrophobicContact CD2-CG 4.41Å; L10-E27 HydrophobicContact CD1-CB 3.91Å; L10-E27 HydrophobicContact CD1-CG 4.29Å; L10-E27 WeakPolarHBondContact CD1-O 3.3Å; L10-E27 HydrophobicContact CG-CB 4.38Å; L10-A29 HydrophobicContact CD1-CB 4.46Å; L10-L79 HydrophobicContact CD1-CD1 3.85Å; L10-L79 HydrophobicContact CD2-CD1 3.75Å; L10-L79 HydrophobicContact CG-CD1 4.39Å; L10-K87 HydrophobicContact CB-CB 4.47Å; L10-K87 HydrophobicContact CD1-CB 4.11Å; L10-K87 HydrophobicContact CD1-CG 4.46Å; L10-L88 PolarHBondContact N-O 2.98Å
11Q90.3Very high86.5Confident41 Ų4188.8 Ų88.819%0.19242%0.415CS..  trans-73.5130-178.2-174.262.64600111.3I9 Y13 L26 E27I9-Q11 PolarHBondContact O-N 3.09Å; Q11-Y13 HydrophobicContact CB-CE1 4.3Å; Q11-Y13 HydrophobicContact CG-CD1 3.87Å; Q11-Y13 HydrophobicContact CG-CE1 3.77Å; Q11-L26 CarbonylContact O-C 3.52Å; Q11-L26 WeakPolarHBondContact O-CA 3.2Å; Q11-E27 HydrophobicContact CB-CB 4.04Å; Q11-E27 PolarHBondContact N-OE2 2.95Å; Q11-E27 PolarHBondContact O-N 3.24Å
12L88.8Confident88.3Confident30 Ų3088.4 Ų88.416%0.15741%0.414CS..EExtended strand (participates in β ladder)trans-88.5115.5161.9177.968.3000108.2L10 T14 L24 L26L10-L12 PolarHBondContact O-N 3.21Å; L12-T14 VanDerWaalsContact CD1-O 3.3Å; L12-T14 WeakPolarHBondContact CD1-O 3.44Å; L12-L24 HydrophobicContact CD1-CB 4.03Å; L12-L24 HydrophobicContact CD1-CD2 4.18Å; L12-L26 HydrophobicContact CB-CD2 4.03Å; L12-L26 HydrophobicContact CD1-CD2 3.55Å; L12-L26 HydrophobicContact CD1-CG 4.44Å; L12-L26 HydrophobicContact CG-CD2 4.4Å
13Y88.6Confident89.9Confident150 Ų15089.3 Ų89.359%0.58841%0.409SS*.EExtended strand (participates in β ladder)trans-80.9-47.2178.5-65.8-54.2000111.7Q11 V25 E27Q11-Y13 HydrophobicContact CB-CE1 4.3Å; Q11-Y13 HydrophobicContact CG-CD1 3.87Å; Q11-Y13 HydrophobicContact CG-CE1 3.77Å; Y13-V25 WeakPolarHBondContact CB-O 3.18Å; Y13-V25 HydrophobicContact CD2-CG1 4.25Å; Y13-V25 PolarHBondContact N-O 3.42Å; Y13-E27 HydrophobicContact CE2-CB 4.2Å
14T89.9Confident90.7Very high74 Ų7486.9 Ų86.945%0.45440%0.401SS..EExtended strand (participates in β ladder)trans-160.7169.6177.1-169.30000110.3L12 V25L12-T14 VanDerWaalsContact CD1-O 3.3Å; L12-T14 WeakPolarHBondContact CD1-O 3.44Å; T14-V25 HydrophobicContact CG2-CB 3.69Å; T14-V25 HydrophobicContact CG2-CG1 4.39Å; T14-V25 HydrophobicContact CG2-CG2 3.54Å; T14-V25 PolarHBondContact N-O 3.31Å; T14-V25 PolarHBondContact O-N 3.11Å
15Y89.5Confident91.2Very high135 Ų13588.6 Ų88.653%0.52941%0.412SS..EExtended strand (participates in β ladder)trans-136153167.568.5-84.7000109.2Y23Y15-Y23 CarbonylContact C-O 3.31Å; Y15-Y23 WeakPolarHBondContact CA-O 3.29Å; Y15-Y23 WeakPolarHBondContact CB-O 3.3Å
16F92.1Very high91.3Very high108 Ų10885.9 Ų85.947%0.47440%0.401SS..EExtended strand (participates in β ladder)trans-143.5163.8171.154.3-86.5000108.7Y23 V25F16-Y23 AromaticContact CD2-CD2 3.65Å; F16-Y23 HydrophobicContact CD2-CD2 3.65Å; F16-Y23 AromaticContact CD2-CG 3.79Å; F16-Y23 HydrophobicContact CD2-CG 3.79Å; F16-Y23 AromaticContact CE2-CD1 3.89Å; F16-Y23 HydrophobicContact CE2-CD1 3.89Å; F16-Y23 AromaticContact CE2-CD2 3.52Å; F16-Y23 HydrophobicContact CE2-CD2 3.52Å; F16-Y23 HydrophobicContact CE2-CE2 4.29Å; F16-Y23 AromaticContact CE2-CG 3.28Å; F16-Y23 HydrophobicContact CE2-CG 3.28Å; F16-Y23 HydrophobicContact CZ-CD1 4.17Å; F16-Y23 HydrophobicContact CZ-CD2 4.44Å; F16-Y23 AromaticContact CZ-CG 3.77Å; F16-Y23 HydrophobicContact CZ-CG 3.77Å; F16-Y23 PolarHBondContact N-O 2.95Å; F16-Y23 PolarHBondContact O-N 3.48Å; F16-V25 HydrophobicContact CD1-CG2 4.25Å; F16-V25 HydrophobicContact CE1-CG2 3.67Å
17H91.8Very high91.2Very high136 Ų13686.7 Ų86.763%0.6341%0.405SS*.EExtended strand (participates in β ladder)trans-141.9154.1179.368.387.8000110.3R21 I22H17-R21 CarbonylContact C-O 3.29Å; H17-R21 WeakPolarHBondContact CA-O 3.35Å; H17-R21 WeakPolarHBondContact CB-O 3.34Å; H17-I22 HydrophobicContact CB-CG1 4.24Å
18D94.3Very high91.1Very high63 Ų6392.5 Ų92.534%0.33742%0.421SS..  trans-111.3-163.4161.866.223.5000109.1K20 R21 Y23D18-K20 PolarHBondContact O-N 3.03Å; D18-K20 WeakPolarHBondContact OD1-CA 3.41Å; D18-K20 PolarHBondContact OD1-N 3.22Å; D18-R21 PolarHBondContact N-O 3.39Å; D18-R21 PolarHBondContact OD1-N 3.39Å; D18-Y23 PolarHBondContact OD2-OH 3.32Å
19H91.9Very high90.9Very high160 Ų16092.1 Ų92.174%0.74142%0.421SS*.SBendtrans-71.8-9.1178.964-73.5000114
20K92.9Very high90.8Very high167 Ų16797.2 Ų97.273%0.72644%0.443SS*.SBendtrans-123.8-28.7-174.4-77.3172.2180173.90114.1D18D18-K20 PolarHBondContact O-N 3.03Å; D18-K20 WeakPolarHBondContact OD1-CA 3.41Å; D18-K20 PolarHBondContact OD1-N 3.22Å
21R91.1Very high90.8Very high165 Ų16599.7 Ų99.762%0.62346%0.456SS*.  trans-141.8146.5-165.6-65178.9-179.3-179.90.8112.1H17 D18 Y23H17-R21 CarbonylContact C-O 3.29Å; H17-R21 WeakPolarHBondContact CA-O 3.35Å; H17-R21 WeakPolarHBondContact CB-O 3.34Å; D18-R21 PolarHBondContact N-O 3.39Å; D18-R21 PolarHBondContact OD1-N 3.39Å; R21-Y23 HydrophobicContact CB-CD2 4.3Å; R21-Y23 HydrophobicContact CB-CE2 3.63Å
22I88.4Confident91Very high130 Ų13099 Ų9967%0.66746%0.461SS*.EExtended strand (participates in β ladder)trans-100.7131.6165-59.6172.6000107.3H17 L24H17-I22 HydrophobicContact CB-CG1 4.24Å; I22-L24 HydrophobicContact CG2-CD2 4.01Å
23Y89.5Confident91.2Very high83 Ų83101.5 Ų101.533%0.32547%0.471SS..EExtended strand (participates in β ladder)trans-112.2127.2177.9-61.3-96.4000108.7Y15 F16 D18 R21Y15-Y23 CarbonylContact C-O 3.31Å; Y15-Y23 WeakPolarHBondContact CA-O 3.29Å; Y15-Y23 WeakPolarHBondContact CB-O 3.3Å; F16-Y23 AromaticContact CD2-CD2 3.65Å; F16-Y23 HydrophobicContact CD2-CD2 3.65Å; F16-Y23 AromaticContact CD2-CG 3.79Å; F16-Y23 HydrophobicContact CD2-CG 3.79Å; F16-Y23 AromaticContact CE2-CD1 3.89Å; F16-Y23 HydrophobicContact CE2-CD1 3.89Å; F16-Y23 AromaticContact CE2-CD2 3.52Å; F16-Y23 HydrophobicContact CE2-CD2 3.52Å; F16-Y23 HydrophobicContact CE2-CE2 4.29Å; F16-Y23 AromaticContact CE2-CG 3.28Å; F16-Y23 HydrophobicContact CE2-CG 3.28Å; F16-Y23 HydrophobicContact CZ-CD1 4.17Å; F16-Y23 HydrophobicContact CZ-CD2 4.44Å; F16-Y23 AromaticContact CZ-CG 3.77Å; F16-Y23 HydrophobicContact CZ-CG 3.77Å; F16-Y23 PolarHBondContact N-O 2.95Å; F16-Y23 PolarHBondContact O-N 3.48Å; D18-Y23 PolarHBondContact OD2-OH 3.32Å; R21-Y23 HydrophobicContact CB-CD2 4.3Å; R21-Y23 HydrophobicContact CB-CE2 3.63Å
24L88.5Confident91.6Very high103 Ų10394.3 Ų94.354%0.53944%0.443SS..EExtended strand (participates in β ladder)trans-109.5125.7178-56.6179.3000108.7L12 I22 L26L12-L24 HydrophobicContact CD1-CB 4.03Å; L12-L24 HydrophobicContact CD1-CD2 4.18Å; I22-L24 HydrophobicContact CG2-CD2 4.01Å; L24-L26 HydrophobicContact CB-CD1 4.49Å; L24-L26 HydrophobicContact CB-CD2 4.45Å; L24-L26 HydrophobicContact CB-CG 4.21Å
25V90.8Very high91.8Very high56 Ų5695 Ų9534%0.33944%0.438SS..EExtended strand (participates in β ladder)trans-97.6104.9173.1-174.80000107.6Y13 T14 F16Y13-V25 WeakPolarHBondContact CB-O 3.18Å; Y13-V25 HydrophobicContact CD2-CG1 4.25Å; Y13-V25 PolarHBondContact N-O 3.42Å; T14-V25 HydrophobicContact CG2-CB 3.69Å; T14-V25 HydrophobicContact CG2-CG1 4.39Å; T14-V25 HydrophobicContact CG2-CG2 3.54Å; T14-V25 PolarHBondContact N-O 3.31Å; T14-V25 PolarHBondContact O-N 3.11Å; F16-V25 HydrophobicContact CD1-CG2 4.25Å; F16-V25 HydrophobicContact CE1-CG2 3.67Å
26L90.3Very high91.9Very high79 Ų7992.7 Ų92.741%0.41444%0.438SS..EExtended strand (participates in β ladder)trans-107.3159.6-174.4-60.9170000111L10 Q11 L12 L24 Y28L10-L26 HydrophobicContact CD2-CB 4.15Å; L10-L26 HydrophobicContact CD2-CD1 4.02Å; L10-L26 HydrophobicContact CD2-CD2 4.36Å; L10-L26 HydrophobicContact CD2-CG 4.41Å; Q11-L26 CarbonylContact O-C 3.52Å; Q11-L26 WeakPolarHBondContact O-CA 3.2Å; L12-L26 HydrophobicContact CB-CD2 4.03Å; L12-L26 HydrophobicContact CD1-CD2 3.55Å; L12-L26 HydrophobicContact CD1-CG 4.44Å; L12-L26 HydrophobicContact CG-CD2 4.4Å; L24-L26 HydrophobicContact CB-CD1 4.49Å; L24-L26 HydrophobicContact CB-CD2 4.45Å; L24-L26 HydrophobicContact CB-CG 4.21Å; L26-Y28 PolarHBondContact O-N 3.47Å
27E90.5Very high92.1Very high40 Ų4089.1 Ų89.119%0.18742%0.423CS..  trans-52.9135.2162.1175.9175.8-154.600110.4L10 Q11 Y13 A29 K87L10-E27 HydrophobicContact CD1-CB 3.91Å; L10-E27 HydrophobicContact CD1-CG 4.29Å; L10-E27 WeakPolarHBondContact CD1-O 3.3Å; L10-E27 HydrophobicContact CG-CB 4.38Å; Q11-E27 HydrophobicContact CB-CB 4.04Å; Q11-E27 PolarHBondContact N-OE2 2.95Å; Q11-E27 PolarHBondContact O-N 3.24Å; Y13-E27 HydrophobicContact CE2-CB 4.2Å; E27-A29 PolarHBondContact O-N 2.99Å; E27-K87 WeakPolarHBondContact OE1-CE 3.41Å; E27-K87 IonicContact OE1-NZ 3.66Å; E27-K87 PolarHBondContact OE1-NZ 2.86Å; E27-K87 WeakPolarHBondContact OE2-CE 3.45Å; E27-K87 IonicContact OE2-NZ 3.91Å; E27-K87 PolarHBondContact OE2-NZ 3.44Å
28Y91.1Very high92.3Very high179 Ų17982.6 Ų82.670%0.70239%0.393SS*.  trans-86.3109.8177.2-178.5-119.6000110.3L26 F30L26-Y28 PolarHBondContact O-N 3.47Å; Y28-F30 HydrophobicContact CE1-CB 4.23Å; Y28-F30 AromaticContact CE1-CD2 3.89Å; Y28-F30 HydrophobicContact CE1-CD2 3.89Å; Y28-F30 HydrophobicContact CE1-CG 4.49Å; Y28-F30 PolarHBondContact O-N 3.04Å
29A91.5Very high92.2Very high10 Ų1084.6 Ų84.68%0.08340%0.396CS..  trans-85.498.6171.800000110L10 E27 L31 G32 L79 L80L10-A29 HydrophobicContact CD1-CB 4.46Å; E27-A29 PolarHBondContact O-N 2.99Å; A29-L31 VanDerWaalsContact C-N 3.29Å; A29-L31 PolarHBondContact O-N 3.16Å; A29-G32 PolarHBondContact O-N 3.47Å; A29-L79 HydrophobicContact CB-CB 3.43Å; A29-L79 VanDerWaalsContact CB-CB 3.43Å; A29-L79 HydrophobicContact CB-CD1 3.95Å; A29-L79 HydrophobicContact CB-CG 4.26Å; A29-L80 CarbonylContact C-O 3.27Å; A29-L80 VanDerWaalsContact C-O 3.31Å
30F92Very high92.4Very high109 Ų10984.8 Ų84.848%0.47839%0.39SS..THydrogen-bonded Turntrans-54.2-38.4-168.8-178.8-93.9000114.7Y28 G32 L80 F82Y28-F30 HydrophobicContact CE1-CB 4.23Å; Y28-F30 AromaticContact CE1-CD2 3.89Å; Y28-F30 HydrophobicContact CE1-CD2 3.89Å; Y28-F30 HydrophobicContact CE1-CG 4.49Å; Y28-F30 PolarHBondContact O-N 3.04Å; F30-G32 VanDerWaalsContact C-N 3.31Å; F30-L80 PolarHBondContact N-O 3.4Å; F30-F82 HydrophobicContact CB-CB 4.1Å; F30-F82 HydrophobicContact CB-CD2 4.37Å; F30-F82 AromaticContact CD1-CD2 3.88Å; F30-F82 HydrophobicContact CD1-CD2 3.88Å; F30-F82 HydrophobicContact CD2-CD2 4.27Å; F30-F82 HydrophobicContact CE1-CD2 4.25Å; F30-F82 AromaticContact CG-CD2 3.92Å; F30-F82 HydrophobicContact CG-CD2 3.92Å
31L93.2Very high92.6Very high75 Ų7580.3 Ų80.339%0.39337%0.373SS..THydrogen-bonded Turntrans-88.20.7-177.2-63.1176.3000113A29 L80 G81 Q84A29-L31 VanDerWaalsContact C-N 3.29Å; A29-L31 PolarHBondContact O-N 3.16Å; L31-L80 HydrophobicContact CB-CB 3.68Å; L31-L80 WeakPolarHBondContact CB-O 3.26Å; L31-L80 HydrophobicContact CD1-CB 4.33Å; L31-L80 PolarHBondContact N-O 2.9Å; L31-G81 VanDerWaalsContact CD1-O 3.28Å; L31-G81 WeakPolarHBondContact CD1-O 3.43Å; L31-G81 WeakPolarHBondContact CG-O 3.28Å; L31-Q84 HydrophobicContact CD1-CB 4.43Å; L31-Q84 HydrophobicContact CD1-CG 3.68Å
32G94.1Very high92.8Very high28 Ų2874.5 Ų74.529%0.28936%0.364SS..EExtended strand (participates in β ladder)trans70.8-148.3177.400000113.1A29 F30 L79 L80A29-G32 PolarHBondContact O-N 3.47Å; F30-G32 VanDerWaalsContact C-N 3.31Å; G32-L79 CarbonylContact O-C 3.59Å; G32-L79 VanDerWaalsContact O-CA 3.27Å; G32-L79 WeakPolarHBondContact O-CA 3.49Å; G32-L80 PolarHBondContact O-N 2.8Å
33Q93.9Very high93.3Very high81 Ų8174.3 Ų74.338%0.37936%0.355SS..EExtended strand (participates in β ladder)trans-76138.7-176-69.7171.9-27.600112.3Y35 T36 E37 E76 L78 L79Q33-Y35 PolarHBondContact O-N 3.05Å; Q33-T36 PolarHBondContact O-N 2.77Å; Q33-E37 PolarHBondContact O-N 3.05Å; Q33-E76 PolarHBondContact NE2-O 2.86Å; Q33-L78 WeakPolarHBondContact CA-O 3.28Å; Q33-L79 HydrophobicContact CB-CD2 4.33Å; Q33-L79 HydrophobicContact CG-CD2 3.58Å
34M96.6Very high93.7Very high0 Ų070.6 Ų70.60%034%0.341CS..Hα-helixtrans-57.1-37.3171.1177.6-178.6-7200111.2T36 E37 L38 F44 Y52 P75 L78 L80 L86 L134 M138M34-T36 VanDerWaalsContact C-N 3.34Å; M34-T36 PolarHBondContact O-N 2.93Å; M34-E37 PolarHBondContact O-N 3.45Å; M34-L38 WeakPolarHBondContact O-CB 3.37Å; M34-L38 PolarHBondContact O-N 3.43Å; M34-F44 HydrophobicContact CG-CE2 3.8Å; M34-F44 HydrophobicContact CG-CZ 4.05Å; M34-F44 HydrophobicContact SD-CE2 4.15Å; M34-Y52 HydrophobicContact CE-CD1 4.24Å; M34-Y52 HydrophobicContact CE-CD2 3.48Å; M34-Y52 VanDerWaalsContact CE-CD2 3.48Å; M34-Y52 HydrophobicContact CE-CE2 3.88Å; M34-Y52 HydrophobicContact CE-CG 3.69Å; M34-P75 HydrophobicContact CB-CB 4.46Å; M34-P75 HydrophobicContact CG-CB 4.35Å; M34-P75 PolarHBondContact N-O 3.02Å; M34-L78 HydrophobicContact CB-CB 3.99Å; M34-L78 HydrophobicContact CE-CB 4.35Å; M34-L78 HydrophobicContact CE-CD1 4.13Å; M34-L78 PolarHBondContact N-O 3.42Å; M34-L78 HydrophobicContact SD-CB 4.37Å; M34-L78 HydrophobicContact SD-CD1 3.88Å; M34-L80 HydrophobicContact CB-CD1 4.45Å; M34-L80 HydrophobicContact CB-CD2 4.46Å; M34-L80 HydrophobicContact CB-CG 4.29Å; M34-L80 HydrophobicContact CE-CD2 4Å; M34-L86 HydrophobicContact CE-CD1 3.86Å; M34-L134 HydrophobicContact SD-CD1 4.18Å; M34-M138 HydrophobicContact CE-SD 4.16Å; M34-M138 HydrophobicContact SD-CG 4.38Å; M34-M138 HydrophobicContact SD-SD 3.84Å
35Y93.1Very high94.1Very high89 Ų8969 Ų6935%0.34934%0.338SS..Hα-helixtrans-50.8-52.3176.5-179.2-99.8000112.3Q33 E37 L38 R39 P75 E76Q33-Y35 PolarHBondContact O-N 3.05Å; Y35-E37 VanDerWaalsContact C-N 3.32Å; Y35-E37 PolarHBondContact O-N 3.28Å; Y35-L38 PolarHBondContact O-N 2.97Å; Y35-R39 HydrophobicContact CD1-CG 4.22Å; Y35-R39 HydrophobicContact CD2-CG 4.29Å; Y35-R39 HydrophobicContact CE1-CG 3.88Å; Y35-R39 HydrophobicContact CE2-CG 3.95Å; Y35-R39 HydrophobicContact CG-CG 4.41Å; Y35-R39 WeakPolarHBondContact O-CB 3.35Å; Y35-R39 VanDerWaalsContact O-CG 3.24Å; Y35-R39 WeakPolarHBondContact O-CG 3.28Å; Y35-R39 PolarHBondContact O-N 2.72Å; Y35-P75 HydrophobicContact CD2-CB 4.2Å; Y35-P75 PolarHBondContact N-O 2.92Å; Y35-E76 HydrophobicContact CD2-CG 4.02Å; Y35-E76 HydrophobicContact CG-CG 3.92Å
36T92.5Very high94.5Very high86 Ų8667.7 Ų67.753%0.52833%0.328SS..Hα-helixtrans-59.9-44.3-178.8-55.10000111.3Q33 M34 R40Q33-T36 PolarHBondContact O-N 2.77Å; M34-T36 VanDerWaalsContact C-N 3.34Å; M34-T36 PolarHBondContact O-N 2.93Å; T36-R40 VanDerWaalsContact O-CB 3.32Å; T36-R40 WeakPolarHBondContact O-CB 3.42Å; T36-R40 PolarHBondContact O-N 3.07Å
37E95.3Very high94.8Very high32 Ų3266.2 Ų66.215%0.1533%0.328CS..Hα-helixtrans-68.8-39.2179.7179.964177.700112.3Q33 M34 Y35 R40 L41 F44 R48 L80Q33-E37 PolarHBondContact O-N 3.05Å; M34-E37 PolarHBondContact O-N 3.45Å; Y35-E37 VanDerWaalsContact C-N 3.32Å; Y35-E37 PolarHBondContact O-N 3.28Å; E37-R40 PolarHBondContact O-N 3.43Å; E37-R40 IonicContact OE1-CZ 3.39Å; E37-R40 IonicContact OE1-NH2 2.7Å; E37-R40 PolarHBondContact OE1-NH2 2.72Å; E37-R40 IonicContact OE2-CZ 3.85Å; E37-R40 VanDerWaalsContact OE2-CZ 3.28Å; E37-R40 IonicContact OE2-NE 2.88Å; E37-R40 PolarHBondContact OE2-NE 2.87Å; E37-R40 IonicContact OE2-NH2 3.93Å; E37-R40 PolarHBondContact OE2-NH2 3.4Å; E37-L41 HydrophobicContact CG-CD1 4.28Å; E37-L41 WeakPolarHBondContact O-CB 3.32Å; E37-L41 PolarHBondContact O-N 3.31Å; E37-L41 WeakPolarHBondContact OE1-CD1 3.41Å; E37-F44 HydrophobicContact CB-CZ 4.36Å; E37-F44 HydrophobicContact CG-CE1 3.89Å; E37-F44 HydrophobicContact CG-CZ 4.02Å; E37-R48 IonicContact OE1-CZ 3.21Å; E37-R48 IonicContact OE1-NH1 2.88Å; E37-R48 PolarHBondContact OE1-NH1 3.46Å; E37-R48 IonicContact OE1-NH2 3.11Å; E37-L80 HydrophobicContact CB-CD1 4.13Å; E37-L80 HydrophobicContact CG-CD1 4.13Å
38L96Very high95.2Very high0 Ų066.6 Ų66.60%033%0.327CS..Hα-helixtrans-65-45176.4-178.957.9000111.2M34 Y35 R40 L41 G42 F44 P75 E137M34-L38 WeakPolarHBondContact O-CB 3.37Å; M34-L38 PolarHBondContact O-N 3.43Å; Y35-L38 PolarHBondContact O-N 2.97Å; L38-R40 VanDerWaalsContact C-N 3.34Å; L38-R40 PolarHBondContact O-N 2.99Å; L38-L41 PolarHBondContact O-N 2.98Å; L38-G42 CarbonylContact O-C 3.54Å; L38-G42 WeakPolarHBondContact O-CA 3.22Å; L38-G42 PolarHBondContact O-N 3.32Å; L38-F44 HydrophobicContact CB-CE1 4.09Å; L38-F44 HydrophobicContact CB-CE2 4.35Å; L38-F44 HydrophobicContact CB-CZ 3.76Å; L38-F44 HydrophobicContact CD1-CD1 4.11Å; L38-F44 HydrophobicContact CD1-CD2 4.33Å; L38-F44 HydrophobicContact CD1-CE1 4.05Å; L38-F44 HydrophobicContact CD1-CE2 4.29Å; L38-F44 HydrophobicContact CD1-CG 4.23Å; L38-F44 HydrophobicContact CD1-CZ 4.16Å; L38-P75 HydrophobicContact CD2-CG 4.37Å; L38-E137 HydrophobicContact CD2-CG 3.95Å
39R93.4Very high95.5Very high105 Ų10558 Ų5840%0.39629%0.294SS..Hα-helixtrans-64-39.8176.9-65.4-68.7144.9-153.4-4.2111.6Y35 E137 G141Y35-R39 HydrophobicContact CD1-CG 4.22Å; Y35-R39 HydrophobicContact CD2-CG 4.29Å; Y35-R39 HydrophobicContact CE1-CG 3.88Å; Y35-R39 HydrophobicContact CE2-CG 3.95Å; Y35-R39 HydrophobicContact CG-CG 4.41Å; Y35-R39 WeakPolarHBondContact O-CB 3.35Å; Y35-R39 VanDerWaalsContact O-CG 3.24Å; Y35-R39 WeakPolarHBondContact O-CG 3.28Å; Y35-R39 PolarHBondContact O-N 2.72Å; R39-E137 IonicContact CZ-OE1 2.68Å; R39-E137 IonicContact NH2-OE1 2.82Å; R39-E137 PolarHBondContact NH2-OE1 3.38Å; R39-G141 PolarHBondContact NH1-O 3.42Å; R39-G141 PolarHBondContact NH2-O 2.76Å; R39-G141 VanDerWaalsContact NH2-O 3.14Å
40R95.9Very high95.8Very high163 Ų16357.6 Ų57.662%0.61529%0.29SS*.Hα-helixtrans-63.5-40.7176.7-171.2-171.268.576.7-3.1112.7T36 E37 L38T36-R40 VanDerWaalsContact O-CB 3.32Å; T36-R40 WeakPolarHBondContact O-CB 3.42Å; T36-R40 PolarHBondContact O-N 3.07Å; E37-R40 PolarHBondContact O-N 3.43Å; E37-R40 IonicContact OE1-CZ 3.39Å; E37-R40 IonicContact OE1-NH2 2.7Å; E37-R40 PolarHBondContact OE1-NH2 2.72Å; E37-R40 IonicContact OE2-CZ 3.85Å; E37-R40 VanDerWaalsContact OE2-CZ 3.28Å; E37-R40 IonicContact OE2-NE 2.88Å; E37-R40 PolarHBondContact OE2-NE 2.87Å; E37-R40 IonicContact OE2-NH2 3.93Å; E37-R40 PolarHBondContact OE2-NH2 3.4Å; L38-R40 VanDerWaalsContact C-N 3.34Å; L38-R40 PolarHBondContact O-N 2.99Å
41L96.9Very high96.1Very high74 Ų7453.4 Ų53.439%0.38727%0.274SS..Hα-helixtrans-89.2-14.1-178.1-70.2178.5000113.9E37 L38 R43 F44E37-L41 HydrophobicContact CG-CD1 4.28Å; E37-L41 WeakPolarHBondContact O-CB 3.32Å; E37-L41 PolarHBondContact O-N 3.31Å; E37-L41 WeakPolarHBondContact OE1-CD1 3.41Å; L38-L41 PolarHBondContact O-N 2.98Å; L41-R43 PolarHBondContact O-N 3.03Å; L41-F44 HydrophobicContact CD1-CD1 3.93Å; L41-F44 HydrophobicContact CD1-CE1 3.89Å
42G96.3Very high96.4Very high42 Ų4250 Ų5043%0.43326%0.256SS..SBendtrans75.4-40.4-17200000113.2L38 G141L38-G42 CarbonylContact O-C 3.54Å; L38-G42 WeakPolarHBondContact O-CA 3.22Å; L38-G42 PolarHBondContact O-N 3.32Å; G42-G141 WeakPolarHBondContact O-CA 3.5Å
43R97.5Very high96.6Very high127 Ų12748.7 Ų48.748%0.47924%0.242SC..SBendtrans-158.6164.517364.3-177-178.5121.6-7.7111.1L41 L139L41-R43 PolarHBondContact O-N 3.03Å; R43-L139 WeakPolarHBondContact CD-O 3.36Å
44F98Very high96.8Very high4 Ų447.2 Ų47.22%0.01823%0.233CC..  trans-97.8159.2170-63-20.9000111.8M34 E37 L38 L41 R48 S49 Y52 M138M34-F44 HydrophobicContact CG-CE2 3.8Å; M34-F44 HydrophobicContact CG-CZ 4.05Å; M34-F44 HydrophobicContact SD-CE2 4.15Å; E37-F44 HydrophobicContact CB-CZ 4.36Å; E37-F44 HydrophobicContact CG-CE1 3.89Å; E37-F44 HydrophobicContact CG-CZ 4.02Å; L38-F44 HydrophobicContact CB-CE1 4.09Å; L38-F44 HydrophobicContact CB-CE2 4.35Å; L38-F44 HydrophobicContact CB-CZ 3.76Å; L38-F44 HydrophobicContact CD1-CD1 4.11Å; L38-F44 HydrophobicContact CD1-CD2 4.33Å; L38-F44 HydrophobicContact CD1-CE1 4.05Å; L38-F44 HydrophobicContact CD1-CE2 4.29Å; L38-F44 HydrophobicContact CD1-CG 4.23Å; L38-F44 HydrophobicContact CD1-CZ 4.16Å; L41-F44 HydrophobicContact CD1-CD1 3.93Å; L41-F44 HydrophobicContact CD1-CE1 3.89Å; F44-R48 HydrophobicContact CB-CB 4.29Å; F44-R48 HydrophobicContact CB-CG 4.35Å; F44-R48 HydrophobicContact CD2-CG 4.43Å; F44-R48 HydrophobicContact CG-CG 4.33Å; F44-S49 WeakPolarHBondContact CB-OG 3.41Å; F44-Y52 AromaticContact CD2-CD2 3.99Å; F44-Y52 HydrophobicContact CD2-CD2 3.99Å; F44-Y52 AromaticContact CD2-CE2 3.9Å; F44-Y52 HydrophobicContact CD2-CE2 3.9Å; F44-Y52 AromaticContact CE2-CD2 4Å; F44-Y52 HydrophobicContact CE2-CD2 4Å; F44-Y52 AromaticContact CE2-CE2 3.69Å; F44-Y52 HydrophobicContact CE2-CE2 3.69Å; F44-Y52 HydrophobicContact CZ-CE2 4.42Å; F44-M138 HydrophobicContact CD2-CB 4.03Å; F44-M138 HydrophobicContact CD2-CG 3.8Å; F44-M138 HydrophobicContact CD2-SD 3.79Å; F44-M138 HydrophobicContact CE2-CG 4.14Å; F44-M138 HydrophobicContact CE2-SD 4.09Å; F44-M138 PolarHBondContact N-O 3.01Å
45S97.9Very high96.9Very high70 Ų7047.5 Ų47.549%0.4923%0.234SC..  trans-71.5160.5170.6640000110.9A47 R48 S49S45-A47 VanDerWaalsContact C-N 3.29Å; S45-A47 PolarHBondContact O-N 3.42Å; S45-R48 PolarHBondContact O-N 3.42Å; S45-R48 WeakPolarHBondContact OG-CB 3.34Å; S45-R48 PolarHBondContact OG-N 3.29Å; S45-S49 WeakPolarHBondContact O-CB 3.33Å; S45-S49 PolarHBondContact O-N 3.18Å; S45-S49 PolarHBondContact O-OG 3.28Å; S45-S49 VanDerWaalsContact O-OG 3.05Å
46E97.9Very high97.1Very high28 Ų2843.2 Ų43.213%0.13122%0.218CC..Hα-helixtrans-57.9-42.7176.5-62.7-141.7161.900112.3R48 S49 A50 L139 T169 W198 F202E46-R48 PolarHBondContact O-N 3.48Å; E46-S49 PolarHBondContact O-N 3.39Å; E46-A50 WeakPolarHBondContact O-CB 3.35Å; E46-A50 PolarHBondContact O-N 3.49Å; E46-L139 HydrophobicContact CG-CD2 4.07Å; E46-T169 VanDerWaalsContact OE1-CB 3.26Å; E46-T169 WeakPolarHBondContact OE1-CB 3.24Å; E46-T169 WeakPolarHBondContact OE1-CG2 3.36Å; E46-T169 PolarHBondContact OE1-OG1 3.38Å; E46-T169 PolarHBondContact OE2-OG1 2.87Å; E46-W198 HydrophobicContact CB-CZ2 4.11Å; E46-W198 HydrophobicContact CG-CZ2 4.43Å; E46-W198 PolarHBondContact OE2-NE1 3.18Å; E46-F202 HydrophobicContact CB-CD1 3.95Å; E46-F202 HydrophobicContact CB-CD2 4.39Å; E46-F202 HydrophobicContact CB-CE1 4.14Å; E46-F202 HydrophobicContact CB-CG 4.08Å; E46-F202 HydrophobicContact CB-CZ 4.46Å; E46-F202 WeakPolarHBondContact OE2-CE2 3.48Å; E46-F202 VanDerWaalsContact OE2-CZ 3.29Å; E46-F202 WeakPolarHBondContact OE2-CZ 3.2Å
47A97.8Very high97.4Very high48 Ų4839.1 Ų39.140%0.39719%0.193SC..Hα-helixtrans-59-44.3177.700000112.8S45 T51 F202S45-A47 VanDerWaalsContact C-N 3.29Å; S45-A47 PolarHBondContact O-N 3.42Å; A47-T51 WeakPolarHBondContact O-CB 3.43Å; A47-T51 PolarHBondContact O-N 2.99Å; A47-T51 VanDerWaalsContact O-N 3.07Å; A47-T51 PolarHBondContact O-OG1 3.39Å; A47-F202 WeakPolarHBondContact CA-O 3.49Å
48R97.4Very high97.5Very high48 Ų4839.6 Ų39.618%0.18120%0.196CC..Hα-helixtrans-69.2-47.8179.1-174.1-177.8-116.1-164.82110.7E37 F44 S45 E46 A50 T51 Y52E37-R48 IonicContact OE1-CZ 3.21Å; E37-R48 IonicContact OE1-NH1 2.88Å; E37-R48 PolarHBondContact OE1-NH1 3.46Å; E37-R48 IonicContact OE1-NH2 3.11Å; F44-R48 HydrophobicContact CB-CB 4.29Å; F44-R48 HydrophobicContact CB-CG 4.35Å; F44-R48 HydrophobicContact CD2-CG 4.43Å; F44-R48 HydrophobicContact CG-CG 4.33Å; S45-R48 PolarHBondContact O-N 3.42Å; S45-R48 WeakPolarHBondContact OG-CB 3.34Å; S45-R48 PolarHBondContact OG-N 3.29Å; E46-R48 PolarHBondContact O-N 3.48Å; R48-A50 PolarHBondContact O-N 2.89Å; R48-T51 PolarHBondContact O-N 3.31Å; R48-Y52 HydrophobicContact CG-CD2 3.99Å; R48-Y52 HydrophobicContact CG-CE2 3.44Å; R48-Y52 VanDerWaalsContact CG-CE2 3.44Å; R48-Y52 WeakPolarHBondContact O-CD2 3.49Å; R48-Y52 PolarHBondContact O-N 3.22Å
49S98.4Very high97.5Very high0 Ų039.6 Ų39.60%020%0.196CC..Hα-helixtrans-58.7-47.9177.4-60.70000111.8F44 S45 E46 T51 Y52 I53 M138F44-S49 WeakPolarHBondContact CB-OG 3.41Å; S45-S49 WeakPolarHBondContact O-CB 3.33Å; S45-S49 PolarHBondContact O-N 3.18Å; S45-S49 PolarHBondContact O-OG 3.28Å; S45-S49 VanDerWaalsContact O-OG 3.05Å; E46-S49 PolarHBondContact O-N 3.39Å; S49-T51 VanDerWaalsContact C-N 3.33Å; S49-T51 PolarHBondContact O-N 3.05Å; S49-Y52 PolarHBondContact O-N 3.37Å; S49-I53 WeakPolarHBondContact O-CG1 3.34Å; S49-I53 PolarHBondContact O-N 3.43Å; S49-M138 WeakPolarHBondContact OG-CB 3.38Å
50A98.5Very high97.7Very high0 Ų034.6 Ų34.60%018%0.177CC..Hα-helixtrans-62.3-39.8178.800000112.1E46 R48 I53 Y54 W198 I199 F202 A203E46-A50 WeakPolarHBondContact O-CB 3.35Å; E46-A50 PolarHBondContact O-N 3.49Å; R48-A50 PolarHBondContact O-N 2.89Å; A50-I53 PolarHBondContact O-N 3.1Å; A50-Y54 WeakPolarHBondContact O-CB 3.47Å; A50-Y54 PolarHBondContact O-N 3.44Å; A50-W198 VanDerWaalsContact CA-CZ3 3.48Å; A50-W198 HydrophobicContact CB-CE3 4.03Å; A50-W198 HydrophobicContact CB-CH2 3.73Å; A50-W198 HydrophobicContact CB-CZ2 4.17Å; A50-W198 HydrophobicContact CB-CZ3 3.64Å; A50-I199 HydrophobicContact CB-CD1 4.11Å; A50-I199 WeakPolarHBondContact O-CD1 3.26Å; A50-F202 HydrophobicContact CB-CB 3.52Å; A50-A203 HydrophobicContact CB-CB 4.06Å
51T98.1Very high97.7Very high22 Ų2228.1 Ų28.114%0.13515%0.154CC..Hα-helixtrans-62.6-45.6175.4-580000111.2A47 R48 S49 Y54 Q55 N204A47-T51 WeakPolarHBondContact O-CB 3.43Å; A47-T51 PolarHBondContact O-N 2.99Å; A47-T51 VanDerWaalsContact O-N 3.07Å; A47-T51 PolarHBondContact O-OG1 3.39Å; R48-T51 PolarHBondContact O-N 3.31Å; S49-T51 VanDerWaalsContact C-N 3.33Å; S49-T51 PolarHBondContact O-N 3.05Å; T51-Y54 PolarHBondContact O-N 3.24Å; T51-Q55 VanDerWaalsContact O-CG 3.28Å; T51-Q55 WeakPolarHBondContact O-CG 3.15Å; T51-Q55 PolarHBondContact O-N 3.28Å; T51-N204 HydrophobicContact CG2-CB 4.35Å; T51-N204 PolarHBondContact OG1-N 3.01Å
52Y98.3Very high97.7Very high3 Ų326.3 Ų26.31%0.01214%0.143CC..Hα-helixtrans-66-41.6176.8-67.8-33.7000113.2M34 F44 R48 S49 Y54 Q55 L56 L80 Q84 L86 M138M34-Y52 HydrophobicContact CE-CD1 4.24Å; M34-Y52 HydrophobicContact CE-CD2 3.48Å; M34-Y52 VanDerWaalsContact CE-CD2 3.48Å; M34-Y52 HydrophobicContact CE-CE2 3.88Å; M34-Y52 HydrophobicContact CE-CG 3.69Å; F44-Y52 AromaticContact CD2-CD2 3.99Å; F44-Y52 HydrophobicContact CD2-CD2 3.99Å; F44-Y52 AromaticContact CD2-CE2 3.9Å; F44-Y52 HydrophobicContact CD2-CE2 3.9Å; F44-Y52 AromaticContact CE2-CD2 4Å; F44-Y52 HydrophobicContact CE2-CD2 4Å; F44-Y52 AromaticContact CE2-CE2 3.69Å; F44-Y52 HydrophobicContact CE2-CE2 3.69Å; F44-Y52 HydrophobicContact CZ-CE2 4.42Å; R48-Y52 HydrophobicContact CG-CD2 3.99Å; R48-Y52 HydrophobicContact CG-CE2 3.44Å; R48-Y52 VanDerWaalsContact CG-CE2 3.44Å; R48-Y52 WeakPolarHBondContact O-CD2 3.49Å; R48-Y52 PolarHBondContact O-N 3.22Å; S49-Y52 PolarHBondContact O-N 3.37Å; Y52-Y54 VanDerWaalsContact C-N 3.32Å; Y52-Y54 PolarHBondContact O-N 3.43Å; Y52-Q55 PolarHBondContact O-N 3.34Å; Y52-L56 VanDerWaalsContact O-CB 3.26Å; Y52-L56 WeakPolarHBondContact O-CB 3.45Å; Y52-L56 PolarHBondContact O-N 3.33Å; Y52-L80 HydrophobicContact CD1-CD2 4.35Å; Y52-L80 HydrophobicContact CE1-CD2 3.55Å; Y52-L80 HydrophobicContact CE2-CD2 4.17Å; Y52-L80 VanDerWaalsContact CZ-CD2 3.46Å; Y52-L80 WeakPolarHBondContact OH-CD2 3.4Å; Y52-Q84 WeakPolarHBondContact CE1-O 3.42Å; Y52-L86 HydrophobicContact CD1-CB 3.92Å; Y52-L86 HydrophobicContact CD1-CD1 4.43Å; Y52-L86 HydrophobicContact CE1-CB 4.48Å; Y52-L86 HydrophobicContact CG-CD1 4.46Å; Y52-M138 HydrophobicContact CD2-SD 3.88Å; Y52-M138 HydrophobicContact CG-SD 4.49Å
53I98.6Very high97.6Very high0 Ų024.3 Ų24.30%012%0.122CC..Hα-helixtrans-62-42.1175.8-66.3-59.5000110.9S49 A50 L56 C57 V131 L134 C135 M138 I193 W198 I199S49-I53 WeakPolarHBondContact O-CG1 3.34Å; S49-I53 PolarHBondContact O-N 3.43Å; A50-I53 PolarHBondContact O-N 3.1Å; I53-L56 PolarHBondContact O-N 3.34Å; I53-C57 WeakPolarHBondContact O-CB 3.48Å; I53-C57 PolarHBondContact O-N 3.03Å; I53-C57 PolarHBondContact O-SG 3.06Å; I53-V131 HydrophobicContact CD1-CG1 4.05Å; I53-V131 HydrophobicContact CG2-CG1 3.95Å; I53-L134 HydrophobicContact CD1-CD2 4.34Å; I53-C135 HydrophobicContact CD1-CB 3.7Å; I53-C135 HydrophobicContact CG1-CB 3.97Å; I53-M138 HydrophobicContact CD1-CE 3.46Å; I53-M138 VanDerWaalsContact CD1-CE 3.46Å; I53-M138 HydrophobicContact CG1-CE 3.58Å; I53-I193 HydrophobicContact CG2-CG2 3.75Å; I53-W198 HydrophobicContact CG1-CZ3 4.48Å; I53-I199 HydrophobicContact CB-CD1 3.87Å; I53-I199 HydrophobicContact CG2-CD1 3.69Å
54Y98.4Very high97.5Very high50 Ų5019.7 Ų19.720%0.19611%0.106CC..Hα-helixtrans-58.1-52.1174.7175.1-89.8000111.6A50 T51 Y52 L56 C57 D58 I194 I199 A203 K205A50-Y54 WeakPolarHBondContact O-CB 3.47Å; A50-Y54 PolarHBondContact O-N 3.44Å; T51-Y54 PolarHBondContact O-N 3.24Å; Y52-Y54 VanDerWaalsContact C-N 3.32Å; Y52-Y54 PolarHBondContact O-N 3.43Å; Y54-L56 VanDerWaalsContact C-N 3.33Å; Y54-L56 PolarHBondContact O-N 3.07Å; Y54-C57 PolarHBondContact O-N 2.95Å; Y54-D58 PolarHBondContact O-N 3.14Å; Y54-I194 HydrophobicContact CD2-CG1 4.11Å; Y54-I194 HydrophobicContact CD2-CG2 3.92Å; Y54-I194 HydrophobicContact CE2-CG1 4.46Å; Y54-I194 HydrophobicContact CE2-CG2 3.69Å; Y54-I199 HydrophobicContact CD2-CG2 3.9Å; Y54-I199 HydrophobicContact CG-CG2 4.48Å; Y54-A203 HydrophobicContact CG-CB 4.46Å; Y54-K205 HydrophobicContact CD2-CG 4.23Å; Y54-K205 HydrophobicContact CE1-CB 4.37Å; Y54-K205 HydrophobicContact CE1-CG 4.38Å; Y54-K205 HydrophobicContact CE2-CD 4.17Å; Y54-K205 HydrophobicContact CE2-CG 3.94Å
55Q97.9Very high97.3Very high6 Ų627 Ų273%0.02813%0.133CC..Hα-helixtrans-63.6-37.6-178.9-69.4178.9-12.600112.6H8 T51 Y52 D58 A59 L86H8-Q55 HydrophobicContact CB-CB 4.41Å; H8-Q55 VanDerWaalsContact CE1-CG 3.41Å; H8-Q55 WeakPolarHBondContact CE1-CG 3.43Å; T51-Q55 VanDerWaalsContact O-CG 3.28Å; T51-Q55 WeakPolarHBondContact O-CG 3.15Å; T51-Q55 PolarHBondContact O-N 3.28Å; Y52-Q55 PolarHBondContact O-N 3.34Å; Q55-D58 PolarHBondContact O-N 2.82Å; Q55-A59 PolarHBondContact O-N 3.35Å; Q55-L86 HydrophobicContact CB-CB 4.13Å
56L98.3Very high97Very high0 Ų027.8 Ų27.80%013%0.13CC..Hα-helixtrans-65.8-46.8175.1178.160000111.3Y52 I53 Y54 D58 A59 L60 I73 L78 L86 L88 V131 L134Y52-L56 VanDerWaalsContact O-CB 3.26Å; Y52-L56 WeakPolarHBondContact O-CB 3.45Å; Y52-L56 PolarHBondContact O-N 3.33Å; I53-L56 PolarHBondContact O-N 3.34Å; Y54-L56 VanDerWaalsContact C-N 3.33Å; Y54-L56 PolarHBondContact O-N 3.07Å; L56-D58 VanDerWaalsContact C-N 3.28Å; L56-D58 PolarHBondContact O-N 2.81Å; L56-A59 PolarHBondContact O-N 2.88Å; L56-L60 HydrophobicContact CD1-CD1 4.04Å; L56-L60 HydrophobicContact CD1-CG 4.04Å; L56-L60 HydrophobicContact CG-CD1 3.91Å; L56-L60 HydrophobicContact CG-CG 4.35Å; L56-L60 WeakPolarHBondContact O-CB 3.46Å; L56-L60 VanDerWaalsContact O-CG 3.28Å; L56-L60 WeakPolarHBondContact O-CG 3.36Å; L56-L60 PolarHBondContact O-N 3.06Å; L56-I73 HydrophobicContact CD1-CD1 4.48Å; L56-I73 HydrophobicContact CD1-CG2 4.39Å; L56-I73 HydrophobicContact CD2-CG2 3.98Å; L56-L78 HydrophobicContact CD1-CD2 4.16Å; L56-L86 HydrophobicContact CB-CD1 4.1Å; L56-L86 HydrophobicContact CB-CD2 4.38Å; L56-L86 HydrophobicContact CD1-CD2 4.47Å; L56-L88 HydrophobicContact CD1-CD1 4.07Å; L56-L88 HydrophobicContact CD1-CD2 4.44Å; L56-V131 HydrophobicContact CD2-CG2 3.84Å; L56-V131 HydrophobicContact CG-CG2 4.2Å; L56-L134 HydrophobicContact CD2-CD2 3.49Å; L56-L134 VanDerWaalsContact CD2-CD2 3.49Å
57C98.3Very high96.7Very high0 Ų032.5 Ų32.50%015%0.15CC..Hα-helixtrans-60.4-40.7177.2-67.80000111.2I53 Y54 L60 M61 L190 I194I53-C57 WeakPolarHBondContact O-CB 3.48Å; I53-C57 PolarHBondContact O-N 3.03Å; I53-C57 PolarHBondContact O-SG 3.06Å; Y54-C57 PolarHBondContact O-N 2.95Å; C57-L60 PolarHBondContact O-N 2.84Å; C57-M61 VanDerWaalsContact O-CG 3.32Å; C57-M61 WeakPolarHBondContact O-CG 3.39Å; C57-M61 PolarHBondContact O-N 3.17Å; C57-L190 HydrophobicContact CB-CB 4.47Å; C57-L190 HydrophobicContact CB-CD2 4.39Å; C57-I194 HydrophobicContact CB-CD1 3.63Å; C57-I194 HydrophobicContact CB-CG1 3.62Å
58D97.2Very high96.4Very high42 Ų4230.7 Ų30.723%0.22513%0.134CC..Hα-helixtrans-59.3-47.8174.9-168.743.6000112.3H6 H8 Y54 Q55 L56 L60 M61 Y62H6-D58 IonicContact CE1-OD2 3.68Å; H6-D58 PolarHBondContact CE1-OD2 3.24Å; H6-D58 IonicContact NE2-OD1 2.91Å; H6-D58 IonicContact NE2-OD2 2.84Å; H6-D58 PolarHBondContact NE2-OD2 3.02Å; H8-D58 IonicContact CD2-OD2 2.8Å; Y54-D58 PolarHBondContact O-N 3.14Å; Q55-D58 PolarHBondContact O-N 2.82Å; L56-D58 VanDerWaalsContact C-N 3.28Å; L56-D58 PolarHBondContact O-N 2.81Å; D58-L60 PolarHBondContact O-N 3.49Å; D58-M61 HydrophobicContact CB-CE 4.45Å; D58-M61 PolarHBondContact O-N 2.85Å; D58-Y62 PolarHBondContact O-N 3.34Å
59A96.6Very high96.1Very high0 Ų029 Ų290%013%0.129CC..Hα-helixtrans-60.5-43.8174.400000112.8H8 I9 Q55 L56 Y62 C63 L88H8-A59 HydrophobicContact CB-CB 3.95Å; I9-A59 HydrophobicContact CD1-CB 4.47Å; I9-A59 HydrophobicContact CG1-CB 3.91Å; Q55-A59 PolarHBondContact O-N 3.35Å; L56-A59 PolarHBondContact O-N 2.88Å; A59-Y62 WeakPolarHBondContact O-CB 3.49Å; A59-Y62 PolarHBondContact O-N 3.38Å; A59-C63 PolarHBondContact O-N 3.48Å; A59-C63 PolarHBondContact O-SG 2.68Å; A59-C63 VanDerWaalsContact O-SG 3.33Å; A59-L88 HydrophobicContact CB-CB 4.46Å; A59-L88 HydrophobicContact CB-CD2 4.27Å
60L97.2Very high95.8Very high0 Ų029 Ų290%013%0.129CC..Hα-helixtrans-69-40.1-178.4-68.8172.6000112.3L56 C57 D58 Y62 C63 H64 H70 I73 L88 D127 V131 L190L56-L60 HydrophobicContact CD1-CD1 4.04Å; L56-L60 HydrophobicContact CD1-CG 4.04Å; L56-L60 HydrophobicContact CG-CD1 3.91Å; L56-L60 HydrophobicContact CG-CG 4.35Å; L56-L60 WeakPolarHBondContact O-CB 3.46Å; L56-L60 VanDerWaalsContact O-CG 3.28Å; L56-L60 WeakPolarHBondContact O-CG 3.36Å; L56-L60 PolarHBondContact O-N 3.06Å; C57-L60 PolarHBondContact O-N 2.84Å; D58-L60 PolarHBondContact O-N 3.49Å; L60-Y62 PolarHBondContact O-N 3.2Å; L60-C63 WeakPolarHBondContact O-CB 3.44Å; L60-C63 PolarHBondContact O-N 3.44Å; L60-C63 VanDerWaalsContact O-N 3.14Å; L60-H64 WeakPolarHBondContact O-CB 3.46Å; L60-H64 PolarHBondContact O-CD2 2.76Å; L60-H64 VanDerWaalsContact O-CD2 3.28Å; L60-H64 PolarHBondContact O-N 2.82Å; L60-H70 HydrophobicContact CD2-CB 4.18Å; L60-I73 HydrophobicContact CD1-CD1 3.62Å; L60-I73 HydrophobicContact CD2-CD1 3.51Å; L60-I73 HydrophobicContact CG-CD1 4.12Å; L60-L88 HydrophobicContact CD2-CD2 3.94Å; L60-D127 HydrophobicContact CD1-CB 4.16Å; L60-D127 HydrophobicContact CD2-CB 4.2Å; L60-V131 HydrophobicContact CD1-CG2 3.57Å; L60-L190 HydrophobicContact CB-CD1 3.56Å; L60-L190 HydrophobicContact CB-CD2 4.41Å; L60-L190 HydrophobicContact CD1-CD2 4.18Å
61M97Very high95.4Very high27 Ų2730.5 Ų30.513%0.13313%0.134CC..Hα-helixtrans-58-41.7172.7-74-175-58.800110.8C57 D58 R65 L190 E191 I194C57-M61 VanDerWaalsContact O-CG 3.32Å; C57-M61 WeakPolarHBondContact O-CG 3.39Å; C57-M61 PolarHBondContact O-N 3.17Å; D58-M61 HydrophobicContact CB-CE 4.45Å; D58-M61 PolarHBondContact O-N 2.85Å; M61-R65 WeakPolarHBondContact O-CG 3.15Å; M61-R65 PolarHBondContact O-N 3Å; M61-L190 HydrophobicContact CB-CD1 4.45Å; M61-L190 HydrophobicContact CG-CB 3.61Å; M61-L190 HydrophobicContact CG-CD1 3.71Å; M61-L190 HydrophobicContact CG-CG 4.32Å; M61-L190 HydrophobicContact SD-CB 4.22Å; M61-E191 HydrophobicContact SD-CG 3.89Å; M61-I194 HydrophobicContact CE-CD1 3.2Å; M61-I194 HydrophobicContact SD-CD1 4.1Å
62Y95.6Very high95Very high36 Ų3629.8 Ų29.814%0.14113%0.13CC..Hα-helixtrans-61.5-48.8173.6176.3-93.3000112H3 L4 Q5 H6 I9 D58 A59 L60 H64 R65 M66H3-Y62 PolarHBondContact O-OH 2.83Å; L4-Y62 HydrophobicContact CB-CE1 3.96Å; L4-Y62 HydrophobicContact CD2-CD1 4.24Å; L4-Y62 HydrophobicContact CD2-CE1 3.55Å; L4-Y62 HydrophobicContact CG-CE1 4.33Å; Q5-Y62 PolarHBondContact N-OH 3.49Å; Q5-Y62 PolarHBondContact O-OH 2.8Å; H6-Y62 HydrophobicContact CB-CD1 3.96Å; H6-Y62 HydrophobicContact CB-CE1 4.22Å; H6-Y62 HydrophobicContact CB-CG 4.22Å; H6-Y62 AromaticContact CD2-CG 3.77Å; I9-Y62 HydrophobicContact CD1-CD1 3.65Å; I9-Y62 HydrophobicContact CD1-CE1 4.15Å; D58-Y62 PolarHBondContact O-N 3.34Å; A59-Y62 WeakPolarHBondContact O-CB 3.49Å; A59-Y62 PolarHBondContact O-N 3.38Å; L60-Y62 PolarHBondContact O-N 3.2Å; Y62-H64 PolarHBondContact O-N 3.36Å; Y62-R65 PolarHBondContact O-N 3.32Å; Y62-M66 HydrophobicContact CD1-CG 4.45Å; Y62-M66 HydrophobicContact CE1-CG 4.08Å; Y62-M66 HydrophobicContact CE2-CG 4.33Å; Y62-M66 WeakPolarHBondContact O-CG 3.3Å; Y62-M66 PolarHBondContact O-N 3.44Å; Y62-M66 VanDerWaalsContact O-N 3.07Å
63C94.6Very high94.8Very high0 Ų029.6 Ų29.60%013%0.129CC..Hα-helixtrans-56.3-48.4176.3-70.90000112.2I9 A59 L60 R65 M66 K67 V68I9-C63 VanDerWaalsContact CD1-SG 3.52Å; A59-C63 PolarHBondContact O-N 3.48Å; A59-C63 PolarHBondContact O-SG 2.68Å; A59-C63 VanDerWaalsContact O-SG 3.33Å; L60-C63 WeakPolarHBondContact O-CB 3.44Å; L60-C63 PolarHBondContact O-N 3.44Å; L60-C63 VanDerWaalsContact O-N 3.14Å; C63-R65 PolarHBondContact O-N 2.83Å; C63-M66 CarbonylContact O-C 3.59Å; C63-M66 VanDerWaalsContact O-C 3.29Å; C63-M66 WeakPolarHBondContact O-CA 3.29Å; C63-M66 WeakPolarHBondContact O-CB 3.07Å; C63-M66 PolarHBondContact O-N 2.79Å; C63-K67 PolarHBondContact O-N 3.39Å; C63-K67 VanDerWaalsContact O-N 3.12Å; C63-V68 CarbonylContact C-O 3.53Å; C63-V68 VanDerWaalsContact C-O 3.27Å; C63-V68 HydrophobicContact CB-CB 4.24Å; C63-V68 WeakPolarHBondContact CB-O 3.22Å; C63-V68 PolarHBondContact O-N 3.41Å
64H94.9Very high94.5Very high30 Ų3030.9 Ų30.914%0.13914%0.135CC..Hα-helixtrans-64.9-38.4-177.6-65.2-178.7000111.6L60 Y62 M66 K67 V68 D127 H128L60-H64 WeakPolarHBondContact O-CB 3.46Å; L60-H64 PolarHBondContact O-CD2 2.76Å; L60-H64 VanDerWaalsContact O-CD2 3.28Å; L60-H64 PolarHBondContact O-N 2.82Å; Y62-H64 PolarHBondContact O-N 3.36Å; H64-M66 VanDerWaalsContact C-N 3.29Å; H64-M66 PolarHBondContact O-N 2.86Å; H64-K67 WeakPolarHBondContact O-CA 3.41Å; H64-K67 PolarHBondContact O-N 3.25Å; H64-V68 PolarHBondContact CD2-O 3.32Å; H64-D127 IonicContact CD2-OD2 3.74Å; H64-D127 IonicContact CE1-OD2 2.68Å; H64-D127 IonicContact NE2-OD2 3.76Å; H64-D127 PolarHBondContact NE2-OD2 3.09Å; H64-H128 AromaticContact CE1-NE2 3.92Å
65R95Very high94.2Very high156 Ų15628.6 Ų28.659%0.58913%0.126SC*.Hα-helixtrans-60-39.3170.3-74.4-168.2-50-97.55.4112.2M61 Y62 C63 K67M61-R65 WeakPolarHBondContact O-CG 3.15Å; M61-R65 PolarHBondContact O-N 3Å; Y62-R65 PolarHBondContact O-N 3.32Å; C63-R65 PolarHBondContact O-N 2.83Å; R65-K67 PolarHBondContact O-N 3.49Å
66M92Very high93.9Very high87 Ų8730.8 Ų30.843%0.42914%0.136SC..THydrogen-bonded Turntrans-78.49.5174.6-61.3-57.4-68.600113.4L4 Y62 C63 H64 V68L4-M66 HydrophobicContact CD2-CB 3.84Å; L4-M66 HydrophobicContact CD2-CG 3.91Å; Y62-M66 HydrophobicContact CD1-CG 4.45Å; Y62-M66 HydrophobicContact CE1-CG 4.08Å; Y62-M66 HydrophobicContact CE2-CG 4.33Å; Y62-M66 WeakPolarHBondContact O-CG 3.3Å; Y62-M66 PolarHBondContact O-N 3.44Å; Y62-M66 VanDerWaalsContact O-N 3.07Å; C63-M66 CarbonylContact O-C 3.59Å; C63-M66 VanDerWaalsContact O-C 3.29Å; C63-M66 WeakPolarHBondContact O-CA 3.29Å; C63-M66 WeakPolarHBondContact O-CB 3.07Å; C63-M66 PolarHBondContact O-N 2.79Å; H64-M66 VanDerWaalsContact C-N 3.29Å; H64-M66 PolarHBondContact O-N 2.86Å; M66-V68 VanDerWaalsContact C-N 3.27Å; M66-V68 HydrophobicContact CB-CG2 4.45Å; M66-V68 PolarHBondContact O-N 3.21Å
67K90.9Very high93.7Very high127 Ų12731.4 Ų31.455%0.55214%0.139SC*.THydrogen-bonded Turntrans59.534.9-178.7-54.1-58.7-178-174.40113.2C63 H64 R65 H96 A97C63-K67 PolarHBondContact O-N 3.39Å; C63-K67 VanDerWaalsContact O-N 3.12Å; H64-K67 WeakPolarHBondContact O-CA 3.41Å; H64-K67 PolarHBondContact O-N 3.25Å; R65-K67 PolarHBondContact O-N 3.49Å; K67-H96 CarbonylContact O-C 3.5Å; K67-H96 VanDerWaalsContact O-CA 3.29Å; K67-H96 WeakPolarHBondContact O-CA 3.39Å; K67-A97 HydrophobicContact CB-CB 4.44Å; K67-A97 WeakPolarHBondContact CB-O 3.34Å; K67-A97 PolarHBondContact O-N 2.91Å
68V90.7Very high93.6Very high10 Ų1031.4 Ų31.46%0.06114%0.139CC..EExtended strand (participates in β ladder)trans-112.4124176.71790000109.2L4 C63 H64 M66 F91 A94 V95L4-V68 HydrophobicContact CD2-CG2 4.5Å; C63-V68 CarbonylContact C-O 3.53Å; C63-V68 VanDerWaalsContact C-O 3.27Å; C63-V68 HydrophobicContact CB-CB 4.24Å; C63-V68 WeakPolarHBondContact CB-O 3.22Å; C63-V68 PolarHBondContact O-N 3.41Å; H64-V68 PolarHBondContact CD2-O 3.32Å; M66-V68 VanDerWaalsContact C-N 3.27Å; M66-V68 HydrophobicContact CB-CG2 4.45Å; M66-V68 PolarHBondContact O-N 3.21Å; V68-F91 HydrophobicContact CG1-CD1 3.97Å; V68-F91 HydrophobicContact CG1-CE1 4.15Å; V68-A94 HydrophobicContact CG1-CB 3.85Å; V68-V95 WeakPolarHBondContact CA-O 3.32Å
69I91.7Very high93.5Very high12 Ų1230.9 Ų30.96%0.06214%0.136CC..EExtended strand (participates in β ladder)trans-103.5131.2170.8-48.9172000108R71 A94 V95 A97 E124 V126 D127I69-R71 HydrophobicContact CB-CG 4.11Å; I69-R71 HydrophobicContact CG2-CG 3.51Å; I69-A94 WeakPolarHBondContact O-CA 3.46Å; I69-A94 WeakPolarHBondContact O-CB 2.98Å; I69-V95 HydrophobicContact CB-CG2 4.18Å; I69-V95 HydrophobicContact CD1-CG2 4.34Å; I69-V95 PolarHBondContact N-O 3.31Å; I69-V95 PolarHBondContact O-N 2.63Å; I69-A97 HydrophobicContact CD1-CB 4.3Å; I69-E124 HydrophobicContact CD1-CB 4.32Å; I69-E124 HydrophobicContact CG1-CB 4.02Å; I69-V126 HydrophobicContact CG2-CG2 3.8Å; I69-D127 WeakPolarHBondContact CG2-OD2 3.48Å
70H91.6Very high93.5Very high0 Ų030.9 Ų30.90%014%0.136CC..  trans-76.9-51.5-173.8-167.4-79.2000112.9L60 D72 I73 L88 S89 D90 F91 D127L60-H70 HydrophobicContact CD2-CB 4.18Å; H70-D72 PolarHBondContact CE1-O 2.93Å; H70-D72 PolarHBondContact ND1-N 3.34Å; H70-D72 PolarHBondContact O-N 3.46Å; H70-I73 HydrophobicContact CB-CD1 4.2Å; H70-I73 HydrophobicContact CB-CG1 3.93Å; H70-I73 WeakPolarHBondContact ND1-CG1 3.15Å; H70-L88 WeakPolarHBondContact NE2-CD1 3.2Å; H70-S89 PolarHBondContact CE1-O 2.77Å; H70-S89 PolarHBondContact NE2-O 2.68Å; H70-D90 PolarHBondContact CE1-O 3Å; H70-D90 PolarHBondContact NE2-O 3.41Å; H70-F91 AromaticContact CD2-CD1 3.88Å; H70-F91 AromaticContact CD2-CE1 3.72Å; H70-D127 PolarHBondContact N-OD1 2.97Å; H70-D127 PolarHBondContact N-OD2 3.19Å
71R90.2Very high93.3Very high32 Ų3231 Ų3112%0.12114%0.137CC..  trans68.8-15.8174.7-51.2-169.4-65.1166.56118.2I69 W93 V126 D127I69-R71 HydrophobicContact CB-CG 4.11Å; I69-R71 HydrophobicContact CG2-CG 3.51Å; R71-W93 VanDerWaalsContact CZ-O 3.22Å; R71-W93 PolarHBondContact NE-O 3.05Å; R71-W93 PolarHBondContact NH2-O 3.14Å; R71-V126 HydrophobicContact CG-CG2 4.06Å; R71-D127 PolarHBondContact N-OD1 3.49Å
72D89.3Confident93Very high7 Ų736.2 Ų36.24%0.03716%0.16CC..  trans-127.150.2176.9-165.730.5000111.5H70 K74 N77 W93H70-D72 PolarHBondContact CE1-O 2.93Å; H70-D72 PolarHBondContact ND1-N 3.34Å; H70-D72 PolarHBondContact O-N 3.46Å; D72-K74 PolarHBondContact O-N 2.89Å; D72-K74 IonicContact OD1-NZ 2.87Å; D72-K74 PolarHBondContact OD1-NZ 3.44Å; D72-K74 IonicContact OD2-NZ 3.28Å; D72-K74 PolarHBondContact OD2-NZ 3.24Å; D72-N77 VanDerWaalsContact CG-ND2 3.33Å; D72-N77 PolarHBondContact O-ND2 2.91Å; D72-N77 PolarHBondContact OD2-ND2 3.45Å; D72-W93 HydrophobicContact CB-CB 4.19Å; D72-W93 HydrophobicContact CB-CG 4.28Å
73I94Very high92.8Very high0 Ų038.7 Ų38.70%017%0.172CC..  trans-78.5121.9176.2-56.4177.1000108.2L56 L60 H70 Y111 D127 T130L56-I73 HydrophobicContact CD1-CD1 4.48Å; L56-I73 HydrophobicContact CD1-CG2 4.39Å; L56-I73 HydrophobicContact CD2-CG2 3.98Å; L60-I73 HydrophobicContact CD1-CD1 3.62Å; L60-I73 HydrophobicContact CD2-CD1 3.51Å; L60-I73 HydrophobicContact CG-CD1 4.12Å; H70-I73 HydrophobicContact CB-CD1 4.2Å; H70-I73 HydrophobicContact CB-CG1 3.93Å; H70-I73 WeakPolarHBondContact ND1-CG1 3.15Å; I73-Y111 WeakPolarHBondContact O-CD1 3.31Å; I73-Y111 WeakPolarHBondContact O-CE1 3.34Å; I73-D127 HydrophobicContact CD1-CB 3.91Å; I73-T130 WeakPolarHBondContact CD1-OG1 3.36Å
74K92.7Very high92.6Very high27 Ų2743.2 Ų43.212%0.11719%0.194CC..SBendtrans-163.7162.9177.359.1-175.7179.5-139.80109.6D72 E76 N77 L78 T108 Y111D72-K74 PolarHBondContact O-N 2.89Å; D72-K74 IonicContact OD1-NZ 2.87Å; D72-K74 PolarHBondContact OD1-NZ 3.44Å; D72-K74 IonicContact OD2-NZ 3.28Å; D72-K74 PolarHBondContact OD2-NZ 3.24Å; K74-E76 WeakPolarHBondContact CB-OE2 3.47Å; K74-E76 WeakPolarHBondContact CD-OE2 3.33Å; K74-E76 HydrophobicContact CG-CB 4.32Å; K74-E76 WeakPolarHBondContact CG-OE2 3.42Å; K74-E76 PolarHBondContact O-N 2.88Å; K74-N77 HydrophobicContact CG-CB 4.28Å; K74-N77 PolarHBondContact O-N 2.88Å; K74-L78 PolarHBondContact O-N 2.98Å; K74-T108 WeakPolarHBondContact CD-OG1 3.42Å; K74-Y111 HydrophobicContact CB-CD1 4.35Å; K74-Y111 HydrophobicContact CB-CD2 4.3Å; K74-Y111 HydrophobicContact CB-CE1 4.3Å; K74-Y111 HydrophobicContact CB-CE2 4.26Å; K74-Y111 HydrophobicContact CB-CG 4.35Å
75P93.6Very high92.6Very high1 Ų143 Ų431%0.00619%0.193CC..G310 helixtrans-57-25.3-175.4-25.834.8000114.7M34 Y35 L38 Y111 L134M34-P75 HydrophobicContact CB-CB 4.46Å; M34-P75 HydrophobicContact CG-CB 4.35Å; M34-P75 PolarHBondContact N-O 3.02Å; Y35-P75 HydrophobicContact CD2-CB 4.2Å; Y35-P75 PolarHBondContact N-O 2.92Å; L38-P75 HydrophobicContact CD2-CG 4.37Å; P75-Y111 WeakPolarHBondContact CD-OH 3.38Å; P75-L134 HydrophobicContact CG-CD1 3.72Å
76E91.4Very high92.7Very high53 Ų5335.6 Ų35.625%0.24816%0.164CC..G310 helixtrans-72.4-29.1178-58.691.9143.800112.8Q33 Y35 K74Q33-E76 PolarHBondContact NE2-O 2.86Å; Y35-E76 HydrophobicContact CD2-CG 4.02Å; Y35-E76 HydrophobicContact CG-CG 3.92Å; K74-E76 WeakPolarHBondContact CB-OE2 3.47Å; K74-E76 WeakPolarHBondContact CD-OE2 3.33Å; K74-E76 HydrophobicContact CG-CB 4.32Å; K74-E76 WeakPolarHBondContact CG-OE2 3.42Å; K74-E76 PolarHBondContact O-N 2.88Å
77N93.9Very high92.8Very high13 Ų1332.1 Ų32.17%0.0715%0.147CC..G310 helixtrans-977.1179.5-68.3-5000112.2D72 K74 S89 D90D72-N77 VanDerWaalsContact CG-ND2 3.33Å; D72-N77 PolarHBondContact O-ND2 2.91Å; D72-N77 PolarHBondContact OD2-ND2 3.45Å; K74-N77 HydrophobicContact CG-CB 4.28Å; K74-N77 PolarHBondContact O-N 2.88Å; N77-S89 VanDerWaalsContact C-OG 3.24Å; N77-S89 CarbonylContact O-C 3.51Å; N77-S89 WeakPolarHBondContact O-CA 3.48Å; N77-S89 PolarHBondContact O-N 3.36Å; N77-S89 PolarHBondContact O-OG 3.28Å; N77-D90 HydrophobicContact CB-CB 4.31Å
78L95.7Very high93Very high0 Ų026 Ų260%012%0.121CC..EExtended strand (participates in β ladder)trans-112125.3173.7-63.8174.9000109.1Q33 M34 L56 K74 L86 L88 L134Q33-L78 WeakPolarHBondContact CA-O 3.28Å; M34-L78 HydrophobicContact CB-CB 3.99Å; M34-L78 HydrophobicContact CE-CB 4.35Å; M34-L78 HydrophobicContact CE-CD1 4.13Å; M34-L78 PolarHBondContact N-O 3.42Å; M34-L78 HydrophobicContact SD-CB 4.37Å; M34-L78 HydrophobicContact SD-CD1 3.88Å; L56-L78 HydrophobicContact CD1-CD2 4.16Å; K74-L78 PolarHBondContact O-N 2.98Å; L78-L86 HydrophobicContact CD1-CD1 4.12Å; L78-L86 HydrophobicContact CD2-CD1 4.07Å; L78-L86 HydrophobicContact CD2-CD2 4.09Å; L78-L86 HydrophobicContact CD2-CG 4.19Å; L78-L88 HydrophobicContact CD2-CB 4.46Å; L78-L88 HydrophobicContact CD2-CD1 3.59Å; L78-L134 HydrophobicContact CD1-CD1 4.04Å; L78-L134 HydrophobicContact CD1-CD2 3.38Å; L78-L134 HydrophobicContact CD1-CG 4.36Å
79L96Very high93.1Very high30 Ų3026.2 Ų26.216%0.15712%0.122CC..EExtended strand (participates in β ladder)trans-106.2157.8175.6-55.8175.4000110.7L10 A29 G32 Q33 K87L10-L79 HydrophobicContact CD1-CD1 3.85Å; L10-L79 HydrophobicContact CD2-CD1 3.75Å; L10-L79 HydrophobicContact CG-CD1 4.39Å; A29-L79 HydrophobicContact CB-CB 3.43Å; A29-L79 VanDerWaalsContact CB-CB 3.43Å; A29-L79 HydrophobicContact CB-CD1 3.95Å; A29-L79 HydrophobicContact CB-CG 4.26Å; G32-L79 CarbonylContact O-C 3.59Å; G32-L79 VanDerWaalsContact O-CA 3.27Å; G32-L79 WeakPolarHBondContact O-CA 3.49Å; Q33-L79 HydrophobicContact CB-CD2 4.33Å; Q33-L79 HydrophobicContact CG-CD2 3.58Å; L79-K87 HydrophobicContact CB-CB 4.16Å; L79-K87 PolarHBondContact N-O 2.8Å; L79-K87 PolarHBondContact O-N 2.84Å
80L96.1Very high92.4Very high1 Ų129.3 Ų29.31%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-117.9122.5-179.1-62.4-177.1000110A29 F30 L31 G32 M34 E37 Y52 E85A29-L80 CarbonylContact C-O 3.27Å; A29-L80 VanDerWaalsContact C-O 3.31Å; F30-L80 PolarHBondContact N-O 3.4Å; L31-L80 HydrophobicContact CB-CB 3.68Å; L31-L80 WeakPolarHBondContact CB-O 3.26Å; L31-L80 HydrophobicContact CD1-CB 4.33Å; L31-L80 PolarHBondContact N-O 2.9Å; G32-L80 PolarHBondContact O-N 2.8Å; M34-L80 HydrophobicContact CB-CD1 4.45Å; M34-L80 HydrophobicContact CB-CD2 4.46Å; M34-L80 HydrophobicContact CB-CG 4.29Å; M34-L80 HydrophobicContact CE-CD2 4Å; E37-L80 HydrophobicContact CB-CD1 4.13Å; E37-L80 HydrophobicContact CG-CD1 4.13Å; Y52-L80 HydrophobicContact CD1-CD2 4.35Å; Y52-L80 HydrophobicContact CE1-CD2 3.55Å; Y52-L80 HydrophobicContact CE2-CD2 4.17Å; Y52-L80 VanDerWaalsContact CZ-CD2 3.46Å; Y52-L80 WeakPolarHBondContact OH-CD2 3.4Å; L80-E85 WeakPolarHBondContact CA-O 3.45Å
81G93.2Very high91.5Very high2 Ų230.2 Ų30.22%0.02114%0.143CC..  trans-79.2-178.717800000113.3L31 H83 Q84 E85L31-G81 VanDerWaalsContact CD1-O 3.28Å; L31-G81 WeakPolarHBondContact CD1-O 3.43Å; L31-G81 WeakPolarHBondContact CG-O 3.28Å; G81-H83 VanDerWaalsContact C-N 3.28Å; G81-H83 PolarHBondContact O-N 2.81Å; G81-Q84 PolarHBondContact O-N 2.82Å; G81-Q84 VanDerWaalsContact O-N 3.1Å; G81-E85 VanDerWaalsContact C-OE2 3.29Å; G81-E85 WeakPolarHBondContact CA-OE1 3.27Å; G81-E85 WeakPolarHBondContact CA-OE2 3.43Å; G81-E85 PolarHBondContact N-O 3Å
82F91Very high90.2Very high137 Ų13731.2 Ų31.260%0.60116%0.163SC*.THydrogen-bonded Turntrans-63.9-33.6-174.4179.9-99000112.7F30 Q84 E85F30-F82 HydrophobicContact CB-CB 4.1Å; F30-F82 HydrophobicContact CB-CD2 4.37Å; F30-F82 AromaticContact CD1-CD2 3.88Å; F30-F82 HydrophobicContact CD1-CD2 3.88Å; F30-F82 HydrophobicContact CD2-CD2 4.27Å; F30-F82 HydrophobicContact CE1-CD2 4.25Å; F30-F82 AromaticContact CG-CD2 3.92Å; F30-F82 HydrophobicContact CG-CD2 3.92Å; F82-Q84 VanDerWaalsContact C-N 3.25Å; F82-Q84 PolarHBondContact O-N 2.93Å; F82-E85 PolarHBondContact N-OE2 3.2Å
83H90.2Very high88.9Confident88 Ų8835.5 Ų35.541%0.40718%0.179SC..THydrogen-bonded Turntrans-91.117.7178.3-59.5-67.7000112.7G81 E85 F208G81-H83 VanDerWaalsContact C-N 3.28Å; G81-H83 PolarHBondContact O-N 2.81Å; H83-E85 VanDerWaalsContact C-OE2 3.23Å; H83-E85 WeakPolarHBondContact CA-OE2 3.49Å; H83-E85 VanDerWaalsContact CB-OE2 3.3Å; H83-E85 WeakPolarHBondContact CB-OE2 3.45Å; H83-E85 PolarHBondContact N-OE2 3.39Å; H83-E85 PolarHBondContact O-N 3.44Å; H83-F208 HydrophobicContact CB-CD1 4.01Å; H83-F208 HydrophobicContact CB-CE1 3.55Å; H83-F208 HydrophobicContact CB-CZ 4.04Å
84Q91Very high87.2Confident95 Ų9536.7 Ų36.744%0.44419%0.189SC..SBendtrans5833.8-173.6-54.1173.15200112.3L31 Y52 G81 F82L31-Q84 HydrophobicContact CD1-CB 4.43Å; L31-Q84 HydrophobicContact CD1-CG 3.68Å; Y52-Q84 WeakPolarHBondContact CE1-O 3.42Å; G81-Q84 PolarHBondContact O-N 2.82Å; G81-Q84 VanDerWaalsContact O-N 3.1Å; F82-Q84 VanDerWaalsContact C-N 3.25Å; F82-Q84 PolarHBondContact O-N 2.93Å
85E94.3Very high85.6Confident25 Ų2536.6 Ų36.612%0.11719%0.191CC..  trans-85.3143.2168.975.2-75.9-168.500110.6L80 G81 F82 H83 F208L80-E85 WeakPolarHBondContact CA-O 3.45Å; G81-E85 VanDerWaalsContact C-OE2 3.29Å; G81-E85 WeakPolarHBondContact CA-OE1 3.27Å; G81-E85 WeakPolarHBondContact CA-OE2 3.43Å; G81-E85 PolarHBondContact N-O 3Å; F82-E85 PolarHBondContact N-OE2 3.2Å; H83-E85 VanDerWaalsContact C-OE2 3.23Å; H83-E85 WeakPolarHBondContact CA-OE2 3.49Å; H83-E85 VanDerWaalsContact CB-OE2 3.3Å; H83-E85 WeakPolarHBondContact CB-OE2 3.45Å; H83-E85 PolarHBondContact N-OE2 3.39Å; H83-E85 PolarHBondContact O-N 3.44Å; E85-F208 HydrophobicContact CB-CD2 4.25Å; E85-F208 HydrophobicContact CB-CE2 3.97Å
86L96.9Very high83.8Confident0 Ų043.4 Ų43.40%022%0.222CC..EExtended strand (participates in β ladder)trans-75.1139.8175.4179.5149.8000110.8H8 M34 Y52 Q55 L56 L78 L88H8-L86 WeakPolarHBondContact CA-O 3.46Å; H8-L86 PolarHBondContact ND1-O 3.39Å; M34-L86 HydrophobicContact CE-CD1 3.86Å; Y52-L86 HydrophobicContact CD1-CB 3.92Å; Y52-L86 HydrophobicContact CD1-CD1 4.43Å; Y52-L86 HydrophobicContact CE1-CB 4.48Å; Y52-L86 HydrophobicContact CG-CD1 4.46Å; Q55-L86 HydrophobicContact CB-CB 4.13Å; L56-L86 HydrophobicContact CB-CD1 4.1Å; L56-L86 HydrophobicContact CB-CD2 4.38Å; L56-L86 HydrophobicContact CD1-CD2 4.47Å; L78-L86 HydrophobicContact CD1-CD1 4.12Å; L78-L86 HydrophobicContact CD2-CD1 4.07Å; L78-L86 HydrophobicContact CD2-CD2 4.09Å; L78-L86 HydrophobicContact CD2-CG 4.19Å; L86-L88 HydrophobicContact CD2-CB 4.47Å
87K95.3Very high81.6Confident14 Ų1442.6 Ų42.66%0.06122%0.224CC..EExtended strand (participates in β ladder)trans-126.1109171.3-61.4-66.5-174.2161.40109.3P7 L10 E27 L79 S89P7-K87 WeakPolarHBondContact O-CD 3.47Å; P7-K87 WeakPolarHBondContact O-CE 3.29Å; P7-K87 PolarHBondContact O-NZ 3.22Å; L10-K87 HydrophobicContact CB-CB 4.47Å; L10-K87 HydrophobicContact CD1-CB 4.11Å; L10-K87 HydrophobicContact CD1-CG 4.46Å; E27-K87 WeakPolarHBondContact OE1-CE 3.41Å; E27-K87 IonicContact OE1-NZ 3.66Å; E27-K87 PolarHBondContact OE1-NZ 2.86Å; E27-K87 WeakPolarHBondContact OE2-CE 3.45Å; E27-K87 IonicContact OE2-NZ 3.91Å; E27-K87 PolarHBondContact OE2-NZ 3.44Å; L79-K87 HydrophobicContact CB-CB 4.16Å; L79-K87 PolarHBondContact N-O 2.8Å; L79-K87 PolarHBondContact O-N 2.84Å; K87-S89 PolarHBondContact O-N 3.12Å
88L95.4Very high79.1Confident0 Ų047 Ų470%025%0.254CS..EExtended strand (participates in β ladder)trans-68123.4172.2-176.661.3000109.5H8 I9 L10 L56 A59 L60 H70 L78 L86 F91H8-L88 WeakPolarHBondContact O-CB 3.35Å; H8-L88 PolarHBondContact O-N 3.01Å; I9-L88 HydrophobicContact CG1-CB 4.39Å; L10-L88 PolarHBondContact N-O 2.98Å; L56-L88 HydrophobicContact CD1-CD1 4.07Å; L56-L88 HydrophobicContact CD1-CD2 4.44Å; A59-L88 HydrophobicContact CB-CB 4.46Å; A59-L88 HydrophobicContact CB-CD2 4.27Å; L60-L88 HydrophobicContact CD2-CD2 3.94Å; H70-L88 WeakPolarHBondContact NE2-CD1 3.2Å; L78-L88 HydrophobicContact CD2-CB 4.46Å; L78-L88 HydrophobicContact CD2-CD1 3.59Å; L86-L88 HydrophobicContact CD2-CB 4.47Å; L88-F91 HydrophobicContact CD2-CZ 4.09Å; L88-F91 HydrophobicContact CG-CZ 4.22Å
89S91.3Very high76.4Confident13 Ų1352.5 Ų52.59%0.09129%0.292CS..  trans-128.1173-176.875.20000111.4H70 N77 K87H70-S89 PolarHBondContact CE1-O 2.77Å; H70-S89 PolarHBondContact NE2-O 2.68Å; N77-S89 VanDerWaalsContact C-OG 3.24Å; N77-S89 CarbonylContact O-C 3.51Å; N77-S89 WeakPolarHBondContact O-CA 3.48Å; N77-S89 PolarHBondContact O-N 3.36Å; N77-S89 PolarHBondContact O-OG 3.28Å; K87-S89 PolarHBondContact O-N 3.12Å
90D78.6Confident73.6Confident78 Ų7857.1 Ų57.142%0.41732%0.316SS..  trans57.376177.4-162.72.9000115.9H70 N77 G92H70-D90 PolarHBondContact CE1-O 3Å; H70-D90 PolarHBondContact NE2-O 3.41Å; N77-D90 HydrophobicContact CB-CB 4.31Å; D90-G92 PolarHBondContact O-N 2.95Å; D90-G92 WeakPolarHBondContact OD1-CA 3.13Å; D90-G92 PolarHBondContact OD1-N 2.95Å
91F72.5Confident70.6Confident19 Ų1968 Ų688%0.08336%0.357CS..G310 helixtrans-8320.3168.8-66-97.4000112.4M1 L4 I9 V68 H70 L88 W93 A94M1-F91 HydrophobicContact CE-CB 3.65Å; M1-F91 HydrophobicContact CG-CB 4.39Å; M1-F91 HydrophobicContact SD-CB 3.85Å; M1-F91 HydrophobicContact SD-CD2 4.49Å; L4-F91 HydrophobicContact CD1-CD1 4.24Å; L4-F91 HydrophobicContact CD1-CE1 3.76Å; L4-F91 HydrophobicContact CD1-CE2 4.5Å; L4-F91 HydrophobicContact CD1-CZ 3.91Å; I9-F91 HydrophobicContact CD1-CZ 4.4Å; I9-F91 HydrophobicContact CG2-CE2 3.71Å; I9-F91 HydrophobicContact CG2-CZ 3.82Å; V68-F91 HydrophobicContact CG1-CD1 3.97Å; V68-F91 HydrophobicContact CG1-CE1 4.15Å; H70-F91 AromaticContact CD2-CD1 3.88Å; H70-F91 AromaticContact CD2-CE1 3.72Å; L88-F91 HydrophobicContact CD2-CZ 4.09Å; L88-F91 HydrophobicContact CG-CZ 4.22Å; F91-W93 PolarHBondContact O-N 3.06Å; F91-W93 VanDerWaalsContact O-N 3.11Å; F91-A94 HydrophobicContact CB-CB 3.7Å; F91-A94 HydrophobicContact CD1-CB 3.75Å; F91-A94 HydrophobicContact CG-CB 4.23Å; F91-A94 VanDerWaalsContact O-CB 3.3Å; F91-A94 WeakPolarHBondContact O-CB 3.47Å; F91-A94 PolarHBondContact O-N 3.39Å
92G62.8Low67.9Low53 Ų5373.3 Ų73.355%0.54638%0.377SS..G310 helixtrans-57.7-25.8179.400000113.4D90D90-G92 PolarHBondContact O-N 2.95Å; D90-G92 WeakPolarHBondContact OD1-CA 3.13Å; D90-G92 PolarHBondContact OD1-N 2.95Å
93W61.1Low65.5Low96 Ų9678.1 Ų78.136%0.36439%0.391SS..G310 helixtrans-103.53.9174.8-61.9107.9000114.3R71 D72 F91 C106R71-W93 VanDerWaalsContact CZ-O 3.22Å; R71-W93 PolarHBondContact NE-O 3.05Å; R71-W93 PolarHBondContact NH2-O 3.14Å; D72-W93 HydrophobicContact CB-CB 4.19Å; D72-W93 HydrophobicContact CB-CG 4.28Å; F91-W93 PolarHBondContact O-N 3.06Å; F91-W93 VanDerWaalsContact O-N 3.11Å; W93-C106 HydrophobicContact CD2-CB 3.98Å; W93-C106 HydrophobicContact CE3-CB 3.9Å; W93-C106 HydrophobicContact CH2-CB 3.85Å; W93-C106 WeakPolarHBondContact CH2-SG 3.26Å; W93-C106 HydrophobicContact CZ2-CB 3.9Å; W93-C106 HydrophobicContact CZ3-CB 3.84Å; W93-C106 WeakPolarHBondContact CZ3-SG 3.35Å
94A58.4Low62.9Low26 Ų2678.6 Ų78.622%0.21540%0.4CS..  trans-70.3148.9-178.500000111.9V68 I69 F91V68-A94 HydrophobicContact CG1-CB 3.85Å; I69-A94 WeakPolarHBondContact O-CA 3.46Å; I69-A94 WeakPolarHBondContact O-CB 2.98Å; F91-A94 HydrophobicContact CB-CB 3.7Å; F91-A94 HydrophobicContact CD1-CB 3.75Å; F91-A94 HydrophobicContact CG-CB 4.23Å; F91-A94 VanDerWaalsContact O-CB 3.3Å; F91-A94 WeakPolarHBondContact O-CB 3.47Å; F91-A94 PolarHBondContact O-N 3.39Å
95V58.3Low60.4Low25 Ų2579.1 Ų79.115%0.15241%0.405CS..EExtended strand (participates in β ladder)trans-125.3140.3174.7-78.80000110.8V68 I69 A97V68-V95 WeakPolarHBondContact CA-O 3.32Å; I69-V95 HydrophobicContact CB-CG2 4.18Å; I69-V95 HydrophobicContact CD1-CG2 4.34Å; I69-V95 PolarHBondContact N-O 3.31Å; I69-V95 PolarHBondContact O-N 2.63Å; V95-A97 PolarHBondContact O-N 3.47Å
96H55.7Low57.8Low144 Ų14479.4 Ų79.467%0.66741%0.41SS*.EExtended strand (participates in β ladder)trans-72.2114.5161.8-78.2-72.8000108.4K67K67-H96 CarbonylContact O-C 3.5Å; K67-H96 VanDerWaalsContact O-CA 3.29Å; K67-H96 WeakPolarHBondContact O-CA 3.39Å
97A46.9Very low55.6Low35 Ų3581 Ų8129%0.28943%0.425SS..SBendtrans-79.495.7173.400000108.3K67 I69 V95K67-A97 HydrophobicContact CB-CB 4.44Å; K67-A97 WeakPolarHBondContact CB-O 3.34Å; K67-A97 PolarHBondContact O-N 2.91Å; I69-A97 HydrophobicContact CD1-CB 4.3Å; V95-A97 PolarHBondContact O-N 3.47Å
98P41.2Very low54.3Low106 Ų10682.6 Ų82.669%0.68844%0.437SS*.SBend-140.4146.68630.3-11.6000112.6
99S37.7Very low53.8Low116 Ų11684.9 Ų84.981%0.81145%0.449SS*.SBendtrans87.416.7161.987.70000122.8
100L37.5Very low53.6Low126 Ų12685.5 Ų85.566%0.6645%0.451SS*.  trans-119.796.8172.6-93.496.3000115.6R102L100-R102 PolarHBondContact O-N 2.91Å
101R33.8Very low54.3Low229 Ų22982.3 Ų82.386%0.86443%0.433SS*.  trans-61.6107.4157-72.6175.7171.6166.8-2.9109.3
102R35.5Very low55.2Low115 Ų11581.8 Ų81.843%0.43443%0.431SS..  trans-114.2134161.7-78.9-166.3-79.3161-5.3109.6L100L100-R102 PolarHBondContact O-N 2.91Å
103R40.2Very low56.7Low238 Ų23879.2 Ų79.290%0.89841%0.405SS*.  trans-92.814.9-178.7-70.7-176.7173.5-179-1.5113.6
104T35.9Very low58.4Low97 Ų9775.1 Ų75.160%0.59539%0.39SS*.  trans-88120.2-172.9-40.70000110.7C106T104-C106 VanDerWaalsContact CG2-SG 3.56Å; T104-C106 PolarHBondContact O-N 2.96Å
105L39.8Very low60.1Low107 Ų10774.6 Ų74.656%0.5638%0.384SS*.  trans-70.1102.3169.3-86.7141.1000109L112L105-L112 HydrophobicContact CD2-CD1 3.63Å
106C38.6Very low61.7Low31 Ų3174.8 Ų74.821%0.20938%0.383CS..  trans-130.5130.2171.5-59.30000108.1W93 T104W93-C106 HydrophobicContact CD2-CB 3.98Å; W93-C106 HydrophobicContact CE3-CB 3.9Å; W93-C106 HydrophobicContact CH2-CB 3.85Å; W93-C106 WeakPolarHBondContact CH2-SG 3.26Å; W93-C106 HydrophobicContact CZ2-CB 3.9Å; W93-C106 HydrophobicContact CZ3-CB 3.84Å; W93-C106 WeakPolarHBondContact CZ3-SG 3.35Å; T104-C106 VanDerWaalsContact CG2-SG 3.56Å; T104-C106 PolarHBondContact O-N 2.96Å
107G50.8Low63.3Low32 Ų3268.9 Ų68.933%0.3336%0.357SS..SBendtrans142.9154.2-177.200000111.8I109G107-I109 PolarHBondContact O-N 3.45Å
108T67.9Low65.3Low49 Ų4970.1 Ų70.130%0.30137%0.368SS..  trans-62.2127164.7-560000107.2K74 D110 Y111K74-T108 WeakPolarHBondContact CD-OG1 3.42Å; T108-D110 PolarHBondContact O-N 3.26Å; T108-Y111 PolarHBondContact O-N 3.3Å
109I84.9Confident67.6Low48 Ų4867.7 Ų67.725%0.24636%0.361CS..G310 helixtrans-55.4-35.8-165.5-62.9178.1000111.7G107 Y111 L112 T150 T153 Y154 I157G107-I109 PolarHBondContact O-N 3.45Å; I109-Y111 PolarHBondContact O-N 3.18Å; I109-Y111 VanDerWaalsContact O-N 3.16Å; I109-L112 HydrophobicContact CG2-CD1 4.49Å; I109-L112 WeakPolarHBondContact O-CB 3.35Å; I109-L112 PolarHBondContact O-N 2.98Å; I109-L112 VanDerWaalsContact O-N 3.12Å; I109-T150 HydrophobicContact CD1-CG2 3.37Å; I109-T150 HydrophobicContact CG2-CG2 4.42Å; I109-T153 HydrophobicContact CG2-CG2 3.77Å; I109-Y154 HydrophobicContact CG2-CD1 4.06Å; I109-Y154 HydrophobicContact CG2-CE1 3.62Å; I109-Y154 HydrophobicContact CG2-CE2 4.45Å; I109-I157 VanDerWaalsContact O-CD1 3.24Å; I109-I157 WeakPolarHBondContact O-CD1 3.39Å
110D87.1Confident69.9Low25 Ų2566 Ų6613%0.13435%0.346CS..G310 helixtrans-66.4-15.3-177.8-49.9-73.2000114.3T108 P143 E146 T153T108-D110 PolarHBondContact O-N 3.26Å; D110-P143 HydrophobicContact CB-CB 3.71Å; D110-P143 HydrophobicContact CB-CG 3.78Å; D110-E146 WeakPolarHBondContact OD1-CA 3.27Å; D110-T153 WeakPolarHBondContact OD1-CG2 3.49Å
111Y93.2Very high72.3Confident12 Ų1264.1 Ų64.15%0.04734%0.343CS..G310 helixtrans-100.8-6177.9-82.7-99000113.5I73 K74 P75 T108 I109 A113 T130 I133 L134 E137I73-Y111 WeakPolarHBondContact O-CD1 3.31Å; I73-Y111 WeakPolarHBondContact O-CE1 3.34Å; K74-Y111 HydrophobicContact CB-CD1 4.35Å; K74-Y111 HydrophobicContact CB-CD2 4.3Å; K74-Y111 HydrophobicContact CB-CE1 4.3Å; K74-Y111 HydrophobicContact CB-CE2 4.26Å; K74-Y111 HydrophobicContact CB-CG 4.35Å; P75-Y111 WeakPolarHBondContact CD-OH 3.38Å; T108-Y111 PolarHBondContact O-N 3.3Å; I109-Y111 PolarHBondContact O-N 3.18Å; I109-Y111 VanDerWaalsContact O-N 3.16Å; Y111-A113 PolarHBondContact O-N 2.92Å; Y111-T130 HydrophobicContact CD1-CG2 4.05Å; Y111-T130 VanDerWaalsContact O-CG2 3.3Å; Y111-T130 WeakPolarHBondContact O-CG2 3.37Å; Y111-I133 HydrophobicContact CD1-CB 3.84Å; Y111-I133 HydrophobicContact CD1-CG2 3.64Å; Y111-I133 HydrophobicContact CD2-CG2 3.83Å; Y111-I133 HydrophobicContact CE1-CB 3.77Å; Y111-I133 HydrophobicContact CE1-CG2 3.48Å; Y111-I133 VanDerWaalsContact CE1-CG2 3.48Å; Y111-I133 HydrophobicContact CE2-CG2 3.66Å; Y111-I133 HydrophobicContact CG-CB 4.4Å; Y111-I133 HydrophobicContact CG-CG2 3.82Å; Y111-I133 VanDerWaalsContact CZ-CG2 3.48Å; Y111-L134 HydrophobicContact CE1-CB 4.13Å; Y111-L134 WeakPolarHBondContact OH-CA 3.47Å; Y111-E137 WeakPolarHBondContact CE2-OE2 3.19Å; Y111-E137 VanDerWaalsContact CZ-OE2 3.3Å; Y111-E137 PolarHBondContact OH-OE2 3.37Å
112L92.5Very high74.9Confident7 Ų755.8 Ų55.84%0.03731%0.314CS..  trans-68.6132.9-179.6-68.3171.9000111.4L105 I109 M116 V117 W129 Y154 I157L105-L112 HydrophobicContact CD2-CD1 3.63Å; I109-L112 HydrophobicContact CG2-CD1 4.49Å; I109-L112 WeakPolarHBondContact O-CB 3.35Å; I109-L112 PolarHBondContact O-N 2.98Å; I109-L112 VanDerWaalsContact O-N 3.12Å; L112-M116 HydrophobicContact CD2-CB 4.36Å; L112-M116 HydrophobicContact CD2-CE 3.85Å; L112-M116 HydrophobicContact CD2-SD 4.35Å; L112-V117 HydrophobicContact CB-CG2 3.75Å; L112-V117 HydrophobicContact CD1-CG2 4.3Å; L112-W129 PolarHBondContact O-NE1 3.38Å; L112-W129 VanDerWaalsContact O-NE1 3.07Å; L112-Y154 HydrophobicContact CD1-CE1 4.05Å; L112-I157 VanDerWaalsContact O-CG2 3.31Å; L112-I157 WeakPolarHBondContact O-CG2 3.4Å
113A94.8Very high77.6Confident0 Ų052.5 Ų52.50%031%0.305CS..  trans-73.5152.4173.300000111.6Y111 E115 M116 V117 V126 W129Y111-A113 PolarHBondContact O-N 2.92Å; A113-E115 VanDerWaalsContact C-N 3.26Å; A113-E115 HydrophobicContact CB-CG 4.48Å; A113-E115 WeakPolarHBondContact CB-OE1 3.17Å; A113-E115 WeakPolarHBondContact CB-OE2 3.36Å; A113-E115 PolarHBondContact O-N 3.49Å; A113-E115 VanDerWaalsContact O-N 3.17Å; A113-M116 HydrophobicContact CB-CG 4.23Å; A113-M116 HydrophobicContact CB-SD 4.24Å; A113-M116 WeakPolarHBondContact O-CA 3.26Å; A113-M116 WeakPolarHBondContact O-CB 3.45Å; A113-M116 PolarHBondContact O-N 3.18Å; A113-V117 PolarHBondContact O-N 3.37Å; A113-V126 HydrophobicContact CB-CG1 4.22Å; A113-W129 HydrophobicContact CB-CB 4Å; A113-W129 HydrophobicContact CB-CD2 4.2Å; A113-W129 HydrophobicContact CB-CG 3.75Å
114P95.5Very high80.2Confident9 Ų944.7 Ų44.76%0.05828%0.279CS..Hα-helixtrans-53.6-38.7-177.8-26.934.3000114.2V117 A118 W129 I157 V160P114-V117 PolarHBondContact O-N 3.11Å; P114-A118 WeakPolarHBondContact O-CB 3.41Å; P114-A118 PolarHBondContact O-N 2.78Å; P114-W129 HydrophobicContact CG-CE3 4.25Å; P114-W129 HydrophobicContact CG-CH2 3.61Å; P114-W129 HydrophobicContact CG-CZ2 4.16Å; P114-W129 HydrophobicContact CG-CZ3 3.66Å; P114-I157 HydrophobicContact CG-CG2 4.2Å; P114-I157 WeakPolarHBondContact CG-O 3.4Å; P114-V160 HydrophobicContact CG-CG2 4.12Å
115E93.9Very high83.1Confident16 Ų1643.9 Ų43.98%0.07527%0.265CS..Hα-helixtrans-68.4-32.6176.866.3-82.8-158.100113A113 A118 G119 V120 H122 V126 P184 R187A113-E115 VanDerWaalsContact C-N 3.26Å; A113-E115 HydrophobicContact CB-CG 4.48Å; A113-E115 WeakPolarHBondContact CB-OE1 3.17Å; A113-E115 WeakPolarHBondContact CB-OE2 3.36Å; A113-E115 PolarHBondContact O-N 3.49Å; A113-E115 VanDerWaalsContact O-N 3.17Å; E115-A118 PolarHBondContact O-N 3.19Å; E115-G119 PolarHBondContact O-N 2.9Å; E115-V120 HydrophobicContact CB-CB 4.44Å; E115-V120 PolarHBondContact O-N 3.35Å; E115-H122 HydrophobicContact CG-CB 3.7Å; E115-V126 HydrophobicContact CG-CG1 4.42Å; E115-V126 WeakPolarHBondContact OE1-CG1 3.46Å; E115-P184 HydrophobicContact CG-CG 4.31Å; E115-R187 VanDerWaalsContact CD-NH2 3.31Å; E115-R187 IonicContact OE1-CZ 3Å; E115-R187 IonicContact OE1-NH1 2.68Å; E115-R187 PolarHBondContact OE1-NH1 3.05Å; E115-R187 IonicContact OE1-NH2 2.95Å; E115-R187 PolarHBondContact OE1-NH2 3.12Å; E115-R187 VanDerWaalsContact OE1-NH2 3.15Å; E115-R187 IonicContact OE2-CZ 2.68Å; E115-R187 IonicContact OE2-NH1 3.73Å; E115-R187 IonicContact OE2-NH2 3.41Å; E115-R187 PolarHBondContact OE2-NH2 3.16Å
116M91.5Very high85.7Confident28 Ų2838.9 Ų38.914%0.13824%0.239CC..Hα-helixtrans-70.5-43174.1-63.417872.800110.2L112 A113 A118 G119 V126L112-M116 HydrophobicContact CD2-CB 4.36Å; L112-M116 HydrophobicContact CD2-CE 3.85Å; L112-M116 HydrophobicContact CD2-SD 4.35Å; A113-M116 HydrophobicContact CB-CG 4.23Å; A113-M116 HydrophobicContact CB-SD 4.24Å; A113-M116 WeakPolarHBondContact O-CA 3.26Å; A113-M116 WeakPolarHBondContact O-CB 3.45Å; A113-M116 PolarHBondContact O-N 3.18Å; M116-A118 VanDerWaalsContact C-N 3.27Å; M116-A118 PolarHBondContact O-N 3.43Å; M116-G119 PolarHBondContact O-N 3.22Å; M116-G119 VanDerWaalsContact O-N 3.07Å; M116-V126 HydrophobicContact CG-CG1 4.03Å; M116-V126 HydrophobicContact SD-CB 4.08Å; M116-V126 HydrophobicContact SD-CG1 3.89Å
117V90.9Very high88.5Confident20 Ų2037.4 Ų37.412%0.12123%0.229CC..Hα-helixtrans-63.4-35.2174.5-1790000111.4L112 A113 P114 G119 Y154 I157 K158L112-V117 HydrophobicContact CB-CG2 3.75Å; L112-V117 HydrophobicContact CD1-CG2 4.3Å; A113-V117 PolarHBondContact O-N 3.37Å; P114-V117 PolarHBondContact O-N 3.11Å; V117-G119 PolarHBondContact O-N 3.27Å; V117-Y154 HydrophobicContact CB-CD1 4.31Å; V117-Y154 HydrophobicContact CG1-CD1 3.4Å; V117-Y154 VanDerWaalsContact CG1-CD1 3.4Å; V117-Y154 HydrophobicContact CG1-CE1 4.02Å; V117-Y154 HydrophobicContact CG1-CG 4.14Å; V117-Y154 HydrophobicContact CG2-CD1 3.87Å; V117-Y154 HydrophobicContact CG2-CE1 4.12Å; V117-I157 HydrophobicContact CG2-CG2 3.79Å; V117-K158 HydrophobicContact CB-CG 4.49Å; V117-K158 HydrophobicContact CG1-CD 4.25Å; V117-K158 HydrophobicContact CG1-CG 3.92Å
118A89.3Confident90.8Very high62 Ų6236.5 Ų36.551%0.51222%0.216SC..THydrogen-bonded Turntrans-76.7-5.9175.800000113.8P114 E115 M116 V120P114-A118 WeakPolarHBondContact O-CB 3.41Å; P114-A118 PolarHBondContact O-N 2.78Å; E115-A118 PolarHBondContact O-N 3.19Å; M116-A118 VanDerWaalsContact C-N 3.27Å; M116-A118 PolarHBondContact O-N 3.43Å; A118-V120 HydrophobicContact CB-CG2 3.84Å; A118-V120 PolarHBondContact O-N 3.23Å
119G87.4Confident92.2Very high54 Ų5434.1 Ų34.156%0.55720%0.202SC*.THydrogen-bonded Turntrans67.121.7-176.700000113.8E115 M116 V117E115-G119 PolarHBondContact O-N 2.9Å; M116-G119 PolarHBondContact O-N 3.22Å; M116-G119 VanDerWaalsContact O-N 3.07Å; V117-G119 PolarHBondContact O-N 3.27Å
120V87.7Confident92.8Very high82 Ų8232.1 Ų32.150%0.49719%0.191SC..  trans-87.7154.5-179.8-177.80000109.5E115 A118E115-V120 HydrophobicContact CB-CB 4.44Å; E115-V120 PolarHBondContact O-N 3.35Å; A118-V120 HydrophobicContact CB-CG2 3.84Å; A118-V120 PolarHBondContact O-N 3.23Å
121S86.2Confident93.3Very high85 Ų8530.9 Ų30.959%0.59419%0.185SC*.  trans-58.5139.4171.551.10000110.8
122H88.4Confident93.6Very high55 Ų5530.3 Ų30.326%0.25518%0.183SC..  trans-132.5155.9-177.154.6-92.6000110.5E115 V126E115-H122 HydrophobicContact CG-CB 3.7Å; H122-V126 HydrophobicContact CB-CG1 3.55Å
123D92.8Very high93.8Very high46 Ų4630 Ų3025%0.24618%0.181CC..  trans-115.4-164.4178.86314.6000110.2R125 V126D123-R125 PolarHBondContact O-N 3.49Å; D123-R125 VanDerWaalsContact O-N 3.1Å; D123-R125 WeakPolarHBondContact OD1-CB 3.39Å; D123-R125 VanDerWaalsContact OD1-CG 3.26Å; D123-R125 WeakPolarHBondContact OD1-CG 3.32Å; D123-R125 PolarHBondContact OD1-N 2.93Å; D123-R125 IonicContact OD2-CZ 3.56Å; D123-R125 IonicContact OD2-NH1 2.92Å; D123-R125 PolarHBondContact OD2-NH1 3.43Å; D123-V126 WeakPolarHBondContact O-CG2 3.33Å; D123-V126 PolarHBondContact O-N 3.44Å
124E95.1Very high94Very high73 Ų7330 Ų3034%0.34118%0.181SC..THydrogen-bonded Turntrans-60.9-16.4-179.469-81.5-179.900114.6I69 V126 D127I69-E124 HydrophobicContact CD1-CB 4.32Å; I69-E124 HydrophobicContact CG1-CB 4.02Å; E124-V126 PolarHBondContact O-N 3.49Å; E124-V126 VanDerWaalsContact O-N 3.13Å; E124-D127 WeakPolarHBondContact O-CB 2.97Å; E124-D127 PolarHBondContact O-N 2.96Å
125R96.8Very high94.1Very high80 Ų8029.6 Ų29.630%0.30218%0.178SC..Hα-helixtrans-70.7-8.1-177.9-57.1-178.4175.2106.3-5.3113.4D123 D127 H128 W129 P184 R187D123-R125 PolarHBondContact O-N 3.49Å; D123-R125 VanDerWaalsContact O-N 3.1Å; D123-R125 WeakPolarHBondContact OD1-CB 3.39Å; D123-R125 VanDerWaalsContact OD1-CG 3.26Å; D123-R125 WeakPolarHBondContact OD1-CG 3.32Å; D123-R125 PolarHBondContact OD1-N 2.93Å; D123-R125 IonicContact OD2-CZ 3.56Å; D123-R125 IonicContact OD2-NH1 2.92Å; D123-R125 PolarHBondContact OD2-NH1 3.43Å; R125-D127 PolarHBondContact O-N 2.68Å; R125-H128 WeakPolarHBondContact O-CB 3.26Å; R125-H128 PolarHBondContact O-N 2.86Å; R125-W129 PolarHBondContact O-N 2.81Å; R125-P184 HydrophobicContact CB-CB 3.99Å; R125-P184 WeakPolarHBondContact CD-O 3.3Å; R125-R187 PolarHBondContact O-NH1 3.46Å
126V95.3Very high94.4Very high2 Ų229.2 Ų29.21%0.01218%0.176CC..Hα-helixtrans-62.7-32.1165.7-61.90000111.7I69 R71 A113 E115 M116 H122 D123 E124 H128 W129 T130I69-V126 HydrophobicContact CG2-CG2 3.8Å; R71-V126 HydrophobicContact CG-CG2 4.06Å; A113-V126 HydrophobicContact CB-CG1 4.22Å; E115-V126 HydrophobicContact CG-CG1 4.42Å; E115-V126 WeakPolarHBondContact OE1-CG1 3.46Å; M116-V126 HydrophobicContact CG-CG1 4.03Å; M116-V126 HydrophobicContact SD-CB 4.08Å; M116-V126 HydrophobicContact SD-CG1 3.89Å; H122-V126 HydrophobicContact CB-CG1 3.55Å; D123-V126 WeakPolarHBondContact O-CG2 3.33Å; D123-V126 PolarHBondContact O-N 3.44Å; E124-V126 PolarHBondContact O-N 3.49Å; E124-V126 VanDerWaalsContact O-N 3.13Å; V126-H128 VanDerWaalsContact C-N 3.29Å; V126-H128 PolarHBondContact O-N 3.44Å; V126-W129 PolarHBondContact O-N 3.21Å; V126-T130 PolarHBondContact O-N 3.46Å; V126-T130 PolarHBondContact O-OG1 2.91Å
127D96.6Very high94.7Very high0 Ų028.2 Ų28.20%017%0.171CC..Hα-helixtrans-70.3-30.8174.9-67.2-18.6000110.4L60 H64 I69 H70 R71 I73 E124 R125 T130 V131L60-D127 HydrophobicContact CD1-CB 4.16Å; L60-D127 HydrophobicContact CD2-CB 4.2Å; H64-D127 IonicContact CD2-OD2 3.74Å; H64-D127 IonicContact CE1-OD2 2.68Å; H64-D127 IonicContact NE2-OD2 3.76Å; H64-D127 PolarHBondContact NE2-OD2 3.09Å; I69-D127 WeakPolarHBondContact CG2-OD2 3.48Å; H70-D127 PolarHBondContact N-OD1 2.97Å; H70-D127 PolarHBondContact N-OD2 3.19Å; R71-D127 PolarHBondContact N-OD1 3.49Å; I73-D127 HydrophobicContact CD1-CB 3.91Å; E124-D127 WeakPolarHBondContact O-CB 2.97Å; E124-D127 PolarHBondContact O-N 2.96Å; R125-D127 PolarHBondContact O-N 2.68Å; D127-T130 WeakPolarHBondContact CA-OG1 3.48Å; D127-T130 PolarHBondContact O-N 3.1Å; D127-T130 PolarHBondContact O-OG1 2.98Å; D127-V131 VanDerWaalsContact O-CG2 3.29Å; D127-V131 WeakPolarHBondContact O-CG2 3.43Å; D127-V131 PolarHBondContact O-N 3.13Å; D127-V131 VanDerWaalsContact O-N 3.09Å
128H98.3Very high95Very high13 Ų1327.2 Ų27.26%0.0617%0.165CC..Hα-helixtrans-67.2-43175.9-58.6-160.8000110.5H64 R125 V126 T130 V131 G132 I179 L188H64-H128 AromaticContact CE1-NE2 3.92Å; R125-H128 WeakPolarHBondContact O-CB 3.26Å; R125-H128 PolarHBondContact O-N 2.86Å; V126-H128 VanDerWaalsContact C-N 3.29Å; V126-H128 PolarHBondContact O-N 3.44Å; H128-T130 VanDerWaalsContact C-N 3.33Å; H128-T130 PolarHBondContact O-N 3.09Å; H128-V131 WeakPolarHBondContact O-CB 3.17Å; H128-V131 PolarHBondContact O-N 3.49Å; H128-G132 PolarHBondContact O-N 3.38Å; H128-I179 WeakPolarHBondContact O-CG2 3.19Å; H128-L188 PolarHBondContact ND1-O 2.87Å
129W98Very high95.5Very high0 Ų024.5 Ų24.50%014%0.142CC..Hα-helixtrans-55.5-50.2175.6172.7-89.6000111.3L112 A113 P114 R125 V126 V131 G132 I133 F145 I157 V160 L180L112-W129 PolarHBondContact O-NE1 3.38Å; L112-W129 VanDerWaalsContact O-NE1 3.07Å; A113-W129 HydrophobicContact CB-CB 4Å; A113-W129 HydrophobicContact CB-CD2 4.2Å; A113-W129 HydrophobicContact CB-CG 3.75Å; P114-W129 HydrophobicContact CG-CE3 4.25Å; P114-W129 HydrophobicContact CG-CH2 3.61Å; P114-W129 HydrophobicContact CG-CZ2 4.16Å; P114-W129 HydrophobicContact CG-CZ3 3.66Å; R125-W129 PolarHBondContact O-N 2.81Å; V126-W129 PolarHBondContact O-N 3.21Å; W129-V131 VanDerWaalsContact C-N 3.29Å; W129-V131 PolarHBondContact O-N 3.27Å; W129-G132 WeakPolarHBondContact O-CA 3.38Å; W129-G132 PolarHBondContact O-N 2.91Å; W129-I133 HydrophobicContact CZ2-CD1 4.11Å; W129-I133 WeakPolarHBondContact O-CG1 3.29Å; W129-I133 PolarHBondContact O-N 3.42Å; W129-F145 AromaticContact CH2-CE2 3.61Å; W129-F145 HydrophobicContact CH2-CE2 3.61Å; W129-F145 AromaticContact CH2-CZ 3.74Å; W129-F145 HydrophobicContact CH2-CZ 3.74Å; W129-F145 HydrophobicContact CZ2-CD2 4.05Å; W129-F145 AromaticContact CZ2-CE2 3.31Å; W129-F145 HydrophobicContact CZ2-CE2 3.31Å; W129-F145 AromaticContact CZ2-CZ 3.94Å; W129-F145 HydrophobicContact CZ2-CZ 3.94Å; W129-I157 HydrophobicContact CZ2-CG2 4.07Å; W129-V160 HydrophobicContact CH2-CG1 4.23Å; W129-V160 HydrophobicContact CH2-CG2 4.2Å; W129-V160 HydrophobicContact CZ3-CG1 4.26Å; W129-V160 HydrophobicContact CZ3-CG2 4.25Å; W129-L180 HydrophobicContact CD2-CD2 3.99Å; W129-L180 HydrophobicContact CE3-CD2 3.92Å; W129-L180 HydrophobicContact CH2-CD2 4.49Å; W129-L180 HydrophobicContact CZ3-CB 4.33Å; W129-L180 HydrophobicContact CZ3-CD2 4.18Å
130T97.1Very high96Very high5 Ų523.3 Ų23.33%0.03113%0.125CC..Hα-helixtrans-64.7-30.2-179.251.20000112.9I73 Y111 V126 D127 H128 G132 I133 L134I73-T130 WeakPolarHBondContact CD1-OG1 3.36Å; Y111-T130 HydrophobicContact CD1-CG2 4.05Å; Y111-T130 VanDerWaalsContact O-CG2 3.3Å; Y111-T130 WeakPolarHBondContact O-CG2 3.37Å; V126-T130 PolarHBondContact O-N 3.46Å; V126-T130 PolarHBondContact O-OG1 2.91Å; D127-T130 WeakPolarHBondContact CA-OG1 3.48Å; D127-T130 PolarHBondContact O-N 3.1Å; D127-T130 PolarHBondContact O-OG1 2.98Å; H128-T130 VanDerWaalsContact C-N 3.33Å; H128-T130 PolarHBondContact O-N 3.09Å; T130-G132 VanDerWaalsContact C-N 3.32Å; T130-G132 PolarHBondContact O-N 3.42Å; T130-I133 PolarHBondContact O-N 2.81Å; T130-L134 VanDerWaalsContact O-CB 3.3Å; T130-L134 WeakPolarHBondContact O-CB 3.46Å; T130-L134 PolarHBondContact O-N 3.44Å
131V98.4Very high96.3Very high0 Ų019.7 Ų19.70%010%0.104CC..Hα-helixtrans-59.8-42.1168.5171.80000111.3I53 L56 L60 D127 H128 W129 L134 C135 L190 I193I53-V131 HydrophobicContact CD1-CG1 4.05Å; I53-V131 HydrophobicContact CG2-CG1 3.95Å; L56-V131 HydrophobicContact CD2-CG2 3.84Å; L56-V131 HydrophobicContact CG-CG2 4.2Å; L60-V131 HydrophobicContact CD1-CG2 3.57Å; D127-V131 VanDerWaalsContact O-CG2 3.29Å; D127-V131 WeakPolarHBondContact O-CG2 3.43Å; D127-V131 PolarHBondContact O-N 3.13Å; D127-V131 VanDerWaalsContact O-N 3.09Å; H128-V131 WeakPolarHBondContact O-CB 3.17Å; H128-V131 PolarHBondContact O-N 3.49Å; W129-V131 VanDerWaalsContact C-N 3.29Å; W129-V131 PolarHBondContact O-N 3.27Å; V131-L134 PolarHBondContact O-N 2.8Å; V131-C135 WeakPolarHBondContact O-CB 3.49Å; V131-C135 PolarHBondContact O-N 2.84Å; V131-L190 HydrophobicContact CG2-CD2 4.47Å; V131-I193 HydrophobicContact CG1-CD1 4Å
132G98.5Very high96.7Very high0 Ų021 Ų210%010%0.099CC..Hα-helixtrans-64.6-43.9176.300000112.9H128 W129 T130 C135 Y136H128-G132 PolarHBondContact O-N 3.38Å; W129-G132 WeakPolarHBondContact O-CA 3.38Å; W129-G132 PolarHBondContact O-N 2.91Å; T130-G132 VanDerWaalsContact C-N 3.32Å; T130-G132 PolarHBondContact O-N 3.42Å; G132-C135 PolarHBondContact O-N 3.4Å; G132-Y136 PolarHBondContact O-N 2.83Å; G132-Y136 VanDerWaalsContact O-N 3.09Å
133I98.2Very high97Very high0 Ų018.7 Ų18.70%09%0.089CC..Hα-helixtrans-60.2-49.6175.2-57.1-59.3000110.5Y111 W129 T130 C135 Y136 E137 P143 P144 F145 L180Y111-I133 HydrophobicContact CD1-CB 3.84Å; Y111-I133 HydrophobicContact CD1-CG2 3.64Å; Y111-I133 HydrophobicContact CD2-CG2 3.83Å; Y111-I133 HydrophobicContact CE1-CB 3.77Å; Y111-I133 HydrophobicContact CE1-CG2 3.48Å; Y111-I133 VanDerWaalsContact CE1-CG2 3.48Å; Y111-I133 HydrophobicContact CE2-CG2 3.66Å; Y111-I133 HydrophobicContact CG-CB 4.4Å; Y111-I133 HydrophobicContact CG-CG2 3.82Å; Y111-I133 VanDerWaalsContact CZ-CG2 3.48Å; W129-I133 HydrophobicContact CZ2-CD1 4.11Å; W129-I133 WeakPolarHBondContact O-CG1 3.29Å; W129-I133 PolarHBondContact O-N 3.42Å; T130-I133 PolarHBondContact O-N 2.81Å; I133-C135 VanDerWaalsContact C-N 3.34Å; I133-C135 PolarHBondContact O-N 2.69Å; I133-Y136 WeakPolarHBondContact O-CB 3.49Å; I133-Y136 PolarHBondContact O-N 2.99Å; I133-E137 PolarHBondContact O-N 3.27Å; I133-P143 HydrophobicContact CG2-CB 4.32Å; I133-P144 HydrophobicContact CD1-CG 3.56Å; I133-F145 HydrophobicContact CD1-CD2 3.74Å; I133-F145 HydrophobicContact CD1-CE2 3.51Å; I133-L180 HydrophobicContact CD1-CD1 4.34Å; I133-L180 HydrophobicContact CD1-CD2 3.79Å; I133-L180 HydrophobicContact CG1-CD2 4.24Å
134L98Very high97.2Very high0 Ų017.2 Ų17.20%08%0.082CC..Hα-helixtrans-61.8-42.5-179.5-175.569.9000111.7M34 I53 L56 P75 L78 Y111 T130 V131 Y136 E137 M138M34-L134 HydrophobicContact SD-CD1 4.18Å; I53-L134 HydrophobicContact CD1-CD2 4.34Å; L56-L134 HydrophobicContact CD2-CD2 3.49Å; L56-L134 VanDerWaalsContact CD2-CD2 3.49Å; P75-L134 HydrophobicContact CG-CD1 3.72Å; L78-L134 HydrophobicContact CD1-CD1 4.04Å; L78-L134 HydrophobicContact CD1-CD2 3.38Å; L78-L134 HydrophobicContact CD1-CG 4.36Å; Y111-L134 HydrophobicContact CE1-CB 4.13Å; Y111-L134 WeakPolarHBondContact OH-CA 3.47Å; T130-L134 VanDerWaalsContact O-CB 3.3Å; T130-L134 WeakPolarHBondContact O-CB 3.46Å; T130-L134 PolarHBondContact O-N 3.44Å; V131-L134 PolarHBondContact O-N 2.8Å; L134-Y136 VanDerWaalsContact C-N 3.33Å; L134-Y136 PolarHBondContact O-N 3.49Å; L134-E137 PolarHBondContact O-N 2.92Å; L134-M138 HydrophobicContact CD1-CG 4.4Å; L134-M138 HydrophobicContact CD2-CE 4.35Å; L134-M138 HydrophobicContact CG-CE 4.03Å; L134-M138 HydrophobicContact CG-CG 4.39Å; L134-M138 HydrophobicContact CG-SD 4.36Å; L134-M138 WeakPolarHBondContact O-CB 3.38Å; L134-M138 WeakPolarHBondContact O-CG 3.3Å; L134-M138 PolarHBondContact O-N 3.28Å
135C98.6Very high97.3Very high0 Ų013.7 Ų13.70%07%0.066CC..Hα-helixtrans-60-45.2177-173.30000111.3I53 V131 G132 I133 L139 M175 I176I53-C135 HydrophobicContact CD1-CB 3.7Å; I53-C135 HydrophobicContact CG1-CB 3.97Å; V131-C135 WeakPolarHBondContact O-CB 3.49Å; V131-C135 PolarHBondContact O-N 2.84Å; G132-C135 PolarHBondContact O-N 3.4Å; I133-C135 VanDerWaalsContact C-N 3.34Å; I133-C135 PolarHBondContact O-N 2.69Å; C135-L139 VanDerWaalsContact O-CG 3.26Å; C135-L139 WeakPolarHBondContact O-CG 3.43Å; C135-L139 PolarHBondContact O-N 2.96Å; C135-M175 HydrophobicContact CB-CE 4.37Å; C135-M175 WeakPolarHBondContact SG-CE 3.46Å; C135-I176 HydrophobicContact CB-CD1 4.48Å; C135-I176 HydrophobicContact CB-CG1 4.2Å
136Y98.6Very high96.9Very high8 Ų814.7 Ų14.73%0.0317%0.074CC..Hα-helixtrans-61.3-49176.3-175.2-77.1000110.9G132 I133 L134 M138 L139 C140 K142 P144 Y162 T163 F164 P165 I168 I176G132-Y136 PolarHBondContact O-N 2.83Å; G132-Y136 VanDerWaalsContact O-N 3.09Å; I133-Y136 WeakPolarHBondContact O-CB 3.49Å; I133-Y136 PolarHBondContact O-N 2.99Å; L134-Y136 VanDerWaalsContact C-N 3.33Å; L134-Y136 PolarHBondContact O-N 3.49Å; Y136-M138 PolarHBondContact O-N 3.3Å; Y136-L139 PolarHBondContact O-N 3.25Å; Y136-L139 VanDerWaalsContact O-N 3.16Å; Y136-C140 WeakPolarHBondContact CE1-SG 3.3Å; Y136-C140 PolarHBondContact O-N 3.39Å; Y136-C140 PolarHBondContact O-SG 3.22Å; Y136-C140 VanDerWaalsContact O-SG 3.38Å; Y136-K142 WeakPolarHBondContact CD1-O 3.43Å; Y136-K142 VanDerWaalsContact CE1-O 3.27Å; Y136-K142 WeakPolarHBondContact CE1-O 3.17Å; Y136-P144 HydrophobicContact CD1-CB 3.77Å; Y136-P144 HydrophobicContact CD1-CG 4.11Å; Y136-P144 HydrophobicContact CD2-CB 3.88Å; Y136-P144 HydrophobicContact CE1-CB 3.8Å; Y136-P144 HydrophobicContact CE2-CB 3.9Å; Y136-P144 HydrophobicContact CG-CB 3.82Å; Y136-P144 HydrophobicContact CG-CG 4.08Å; Y136-Y162 HydrophobicContact CE2-CD2 4.22Å; Y136-T163 PolarHBondContact OH-O 3.34Å; Y136-F164 HydrophobicContact CD2-CD1 4.01Å; Y136-F164 AromaticContact CD2-CE1 3.97Å; Y136-F164 HydrophobicContact CD2-CE1 3.97Å; Y136-F164 AromaticContact CE2-CD1 3.78Å; Y136-F164 HydrophobicContact CE2-CD1 3.78Å; Y136-F164 HydrophobicContact CE2-CE1 4.15Å; Y136-P165 VanDerWaalsContact OH-CD 3.29Å; Y136-P165 WeakPolarHBondContact OH-CD 3.33Å; Y136-I168 HydrophobicContact CD2-CD1 3.79Å; Y136-I168 HydrophobicContact CE2-CD1 3.85Å; Y136-I168 HydrophobicContact CG-CD1 4.22Å; Y136-I176 HydrophobicContact CD2-CD1 4.43Å; Y136-I176 HydrophobicContact CD2-CG2 4.42Å
137E98.1Very high96.6Very high7 Ų718.4 Ų18.43%0.0339%0.091CC..Hα-helixtrans-62.5-42.8-178.7-167.7-174.1165.400112.2L38 R39 Y111 I133 L134 L139 C140 G141 K142L38-E137 HydrophobicContact CD2-CG 3.95Å; R39-E137 IonicContact CZ-OE1 2.68Å; R39-E137 IonicContact NH2-OE1 2.82Å; R39-E137 PolarHBondContact NH2-OE1 3.38Å; Y111-E137 WeakPolarHBondContact CE2-OE2 3.19Å; Y111-E137 VanDerWaalsContact CZ-OE2 3.3Å; Y111-E137 PolarHBondContact OH-OE2 3.37Å; I133-E137 PolarHBondContact O-N 3.27Å; L134-E137 PolarHBondContact O-N 2.92Å; E137-L139 VanDerWaalsContact C-N 3.25Å; E137-L139 PolarHBondContact O-N 3.49Å; E137-C140 PolarHBondContact O-N 3.11Å; E137-G141 WeakPolarHBondContact O-CA 3.21Å; E137-G141 PolarHBondContact O-N 2.99Å; E137-K142 WeakPolarHBondContact CA-O 3.37Å
138M98.4Very high96Very high0 Ų025.2 Ų25.20%014%0.135CC..Hα-helixtrans-61.6-34.7177-73-170.8-62.900112.3M34 F44 S49 Y52 I53 L134 Y136M34-M138 HydrophobicContact CE-SD 4.16Å; M34-M138 HydrophobicContact SD-CG 4.38Å; M34-M138 HydrophobicContact SD-SD 3.84Å; F44-M138 HydrophobicContact CD2-CB 4.03Å; F44-M138 HydrophobicContact CD2-CG 3.8Å; F44-M138 HydrophobicContact CD2-SD 3.79Å; F44-M138 HydrophobicContact CE2-CG 4.14Å; F44-M138 HydrophobicContact CE2-SD 4.09Å; F44-M138 PolarHBondContact N-O 3.01Å; S49-M138 WeakPolarHBondContact OG-CB 3.38Å; Y52-M138 HydrophobicContact CD2-SD 3.88Å; Y52-M138 HydrophobicContact CG-SD 4.49Å; I53-M138 HydrophobicContact CD1-CE 3.46Å; I53-M138 VanDerWaalsContact CD1-CE 3.46Å; I53-M138 HydrophobicContact CG1-CE 3.58Å; L134-M138 HydrophobicContact CD1-CG 4.4Å; L134-M138 HydrophobicContact CD2-CE 4.35Å; L134-M138 HydrophobicContact CG-CE 4.03Å; L134-M138 HydrophobicContact CG-CG 4.39Å; L134-M138 HydrophobicContact CG-SD 4.36Å; L134-M138 WeakPolarHBondContact O-CB 3.38Å; L134-M138 WeakPolarHBondContact O-CG 3.3Å; L134-M138 PolarHBondContact O-N 3.28Å; Y136-M138 PolarHBondContact O-N 3.3Å
139L98.6Very high95.5Very high5 Ų527.9 Ų27.93%0.02615%0.15CC..Hα-helixtrans-81.3-27.5-175.6-68.4172.3000114.2R43 E46 C135 Y136 E137 I168 A172 I176 W198R43-L139 WeakPolarHBondContact CD-O 3.36Å; E46-L139 HydrophobicContact CG-CD2 4.07Å; C135-L139 VanDerWaalsContact O-CG 3.26Å; C135-L139 WeakPolarHBondContact O-CG 3.43Å; C135-L139 PolarHBondContact O-N 2.96Å; Y136-L139 PolarHBondContact O-N 3.25Å; Y136-L139 VanDerWaalsContact O-N 3.16Å; E137-L139 VanDerWaalsContact C-N 3.25Å; E137-L139 PolarHBondContact O-N 3.49Å; L139-I168 HydrophobicContact CB-CD1 4.16Å; L139-I168 HydrophobicContact CB-CG1 3.92Å; L139-I168 HydrophobicContact CD1-CG2 4.16Å; L139-A172 HydrophobicContact CD1-CB 3.77Å; L139-I176 HydrophobicContact CD1-CD1 4.16Å; L139-W198 HydrophobicContact CD1-CH2 4.29Å; L139-W198 HydrophobicContact CD1-CZ2 3.99Å; L139-W198 HydrophobicContact CD2-CH2 4.4Å; L139-W198 HydrophobicContact CD2-CZ2 3.95Å; L139-W198 HydrophobicContact CG-CZ2 4.49Å
140C97.4Very high95Very high28 Ų2831 Ų3119%0.18917%0.169CC..Hα-helixtrans-129-1.7-178.274.20000116.1Y136 E137 K142 P165 V167 I168Y136-C140 WeakPolarHBondContact CE1-SG 3.3Å; Y136-C140 PolarHBondContact O-N 3.39Å; Y136-C140 PolarHBondContact O-SG 3.22Å; Y136-C140 VanDerWaalsContact O-SG 3.38Å; E137-C140 PolarHBondContact O-N 3.11Å; C140-K142 PolarHBondContact SG-O 2.93Å; C140-P165 HydrophobicContact CB-CG 3.65Å; C140-V167 HydrophobicContact CB-CG1 3.76Å; C140-I168 HydrophobicContact CB-CD1 4.15Å; C140-I168 HydrophobicContact CB-CG1 4.31Å
141G95.8Very high94.7Very high7 Ų737.7 Ų37.77%0.07220%0.2CC..SBendtrans89.8-1173.400000116.6R39 G42 E137R39-G141 PolarHBondContact NH1-O 3.42Å; R39-G141 PolarHBondContact NH2-O 2.76Å; R39-G141 VanDerWaalsContact NH2-O 3.14Å; G42-G141 WeakPolarHBondContact O-CA 3.5Å; E137-G141 WeakPolarHBondContact O-CA 3.21Å; E137-G141 PolarHBondContact O-N 2.99Å
142K93.7Very high94.4Very high111 Ų11141.4 Ų41.448%0.48322%0.22SC..SBendtrans-149.3151.8179.964.7177.2-175.7171.80111.9Y136 E137 C140Y136-K142 WeakPolarHBondContact CD1-O 3.43Å; Y136-K142 VanDerWaalsContact CE1-O 3.27Å; Y136-K142 WeakPolarHBondContact CE1-O 3.17Å; E137-K142 WeakPolarHBondContact CA-O 3.37Å; C140-K142 PolarHBondContact SG-O 2.93Å
143P95.6Very high94.1Very high8 Ų841.6 Ų41.65%0.05222%0.221CC..  trans-62.4158.4176.3-15.628.5000112.4D110 I133 F145 E146D110-P143 HydrophobicContact CB-CB 3.71Å; D110-P143 HydrophobicContact CB-CG 3.78Å; I133-P143 HydrophobicContact CG2-CB 4.32Å; P143-F145 VanDerWaalsContact C-N 3.33Å; P143-F145 PolarHBondContact O-N 2.74Å; P143-E146 HydrophobicContact CB-CB 4.33Å; P143-E146 WeakPolarHBondContact CD-OE2 3.48Å; P143-E146 HydrophobicContact CG-CB 4.3Å
144P96.7Very high93.8Very high14 Ų1444.5 Ų44.59%0.09123%0.233CC..THydrogen-bonded Turntrans-71.3-24.2-178.425.1-29.6000114.2I133 Y136 Y162 L180I133-P144 HydrophobicContact CD1-CG 3.56Å; Y136-P144 HydrophobicContact CD1-CB 3.77Å; Y136-P144 HydrophobicContact CD1-CG 4.11Å; Y136-P144 HydrophobicContact CD2-CB 3.88Å; Y136-P144 HydrophobicContact CE1-CB 3.8Å; Y136-P144 HydrophobicContact CE2-CB 3.9Å; Y136-P144 HydrophobicContact CG-CB 3.82Å; Y136-P144 HydrophobicContact CG-CG 4.08Å; P144-Y162 HydrophobicContact CB-CD2 4.08Å; P144-Y162 HydrophobicContact CB-CG 4.06Å; P144-L180 HydrophobicContact CG-CD1 4.1Å
145F95.6Very high93.7Very high0 Ų046.9 Ų46.90%025%0.252CS..THydrogen-bonded Turntrans-111.16.8-173.2-54.2-64.3000113.8W129 I133 P143 H147 T153 C156 I157 V160 K161 Y162 L180W129-F145 AromaticContact CH2-CE2 3.61Å; W129-F145 HydrophobicContact CH2-CE2 3.61Å; W129-F145 AromaticContact CH2-CZ 3.74Å; W129-F145 HydrophobicContact CH2-CZ 3.74Å; W129-F145 HydrophobicContact CZ2-CD2 4.05Å; W129-F145 AromaticContact CZ2-CE2 3.31Å; W129-F145 HydrophobicContact CZ2-CE2 3.31Å; W129-F145 AromaticContact CZ2-CZ 3.94Å; W129-F145 HydrophobicContact CZ2-CZ 3.94Å; I133-F145 HydrophobicContact CD1-CD2 3.74Å; I133-F145 HydrophobicContact CD1-CE2 3.51Å; P143-F145 VanDerWaalsContact C-N 3.33Å; P143-F145 PolarHBondContact O-N 2.74Å; F145-H147 PolarHBondContact O-CD2 2.73Å; F145-H147 PolarHBondContact O-N 3.32Å; F145-T153 HydrophobicContact CB-CG2 4.46Å; F145-T153 WeakPolarHBondContact O-CG2 3.42Å; F145-T153 PolarHBondContact O-OG1 2.82Å; F145-C156 HydrophobicContact CB-CB 4.48Å; F145-C156 HydrophobicContact CD1-CB 3.94Å; F145-I157 HydrophobicContact CB-CD1 4.48Å; F145-I157 HydrophobicContact CB-CG1 3.78Å; F145-I157 HydrophobicContact CD1-CG1 4.47Å; F145-I157 HydrophobicContact CD2-CG1 3.76Å; F145-I157 HydrophobicContact CG-CG1 3.75Å; F145-V160 HydrophobicContact CZ-CG1 4.31Å; F145-K161 WeakPolarHBondContact CD1-O 3.33Å; F145-Y162 AromaticContact CE1-CD1 3.57Å; F145-Y162 HydrophobicContact CE1-CD1 3.57Å; F145-Y162 HydrophobicContact CE1-CG 4Å; F145-Y162 AromaticContact CZ-CD1 3.67Å; F145-Y162 HydrophobicContact CZ-CD1 3.67Å; F145-Y162 HydrophobicContact CZ-CE1 4.3Å; F145-Y162 HydrophobicContact CZ-CG 4.27Å; F145-L180 HydrophobicContact CE2-CD1 4.46Å; F145-L180 HydrophobicContact CZ-CD1 4.47Å
146E89Confident93.5Very high101 Ų10147.7 Ų47.747%0.47226%0.258SS..  trans-65.6122.2-177-172.5-171.6103.600110.9D110 P143D110-E146 WeakPolarHBondContact OD1-CA 3.27Å; P143-E146 HydrophobicContact CB-CB 4.33Å; P143-E146 WeakPolarHBondContact CD-OE2 3.48Å; P143-E146 HydrophobicContact CG-CB 4.3Å
147H88.3Confident93.4Very high79 Ų7947.3 Ų47.337%0.36626%0.256SS..  trans-133.2154.1174.6-73-77.2000110.6F145 N149 D152 T153 C156F145-H147 PolarHBondContact O-CD2 2.73Å; F145-H147 PolarHBondContact O-N 3.32Å; H147-N149 PolarHBondContact O-N 2.89Å; H147-D152 HydrophobicContact CB-CB 3.91Å; H147-T153 PolarHBondContact N-OG1 3.08Å; H147-C156 PolarHBondContact NE2-SG 3.46Å
148P84.8Confident93.2Very high144 Ų14451.8 Ų51.894%0.93528%0.275SS*.SBendtrans-60.3-30.5175.9-24.634.6000113.9
149N88.4Confident93.1Very high68 Ų6855.8 Ų55.836%0.36430%0.3SS..SBendtrans-102.9123.1176.8178.91.9000110.2H147 Q151 D152 T153H147-N149 PolarHBondContact O-N 2.89Å; N149-Q151 PolarHBondContact O-N 3.43Å; N149-Q151 VanDerWaalsContact O-N 3.15Å; N149-Q151 PolarHBondContact OD1-N 2.98Å; N149-D152 HydrophobicContact CB-CB 4.45Å; N149-D152 WeakPolarHBondContact CB-OD2 3.38Å; N149-D152 WeakPolarHBondContact O-CB 3.48Å; N149-D152 PolarHBondContact O-N 3.19Å; N149-T153 PolarHBondContact O-N 3.4Å
150T87.6Confident93Very high67 Ų6756.9 Ų56.941%0.41131%0.307SS..Hα-helixtrans-53.8-34.2176.8-51.20000113.7I109 D152 T153 Y154I109-T150 HydrophobicContact CD1-CG2 3.37Å; I109-T150 HydrophobicContact CG2-CG2 4.42Å; T150-D152 VanDerWaalsContact C-N 3.32Å; T150-D152 PolarHBondContact O-N 3.48Å; T150-T153 WeakPolarHBondContact O-CB 3.38Å; T150-T153 PolarHBondContact O-N 2.87Å; T150-Y154 HydrophobicContact CG2-CD2 3.86Å; T150-Y154 HydrophobicContact CG2-CE2 3.45Å; T150-Y154 VanDerWaalsContact CG2-CE2 3.45Å; T150-Y154 WeakPolarHBondContact O-CD2 3.43Å; T150-Y154 PolarHBondContact O-N 3.16Å
151Q91Very high93Very high144 Ų14462.6 Ų62.667%0.67333%0.328SS*.Hα-helixtrans-66.3-36.5178.9-65.1-177.5-3.700112.2N149 Y154 A155N149-Q151 PolarHBondContact O-N 3.43Å; N149-Q151 VanDerWaalsContact O-N 3.15Å; N149-Q151 PolarHBondContact OD1-N 2.98Å; Q151-Y154 PolarHBondContact O-N 2.89Å; Q151-A155 WeakPolarHBondContact O-CB 3.47Å; Q151-A155 PolarHBondContact O-N 3.45Å
152D92.2Very high93.1Very high79 Ų7964.5 Ų64.542%0.42233%0.334SS..Hα-helixtrans-70.2-41.5177.4-63.5-27.9000110.2H147 N149 T150 Y154 A155 C156H147-D152 HydrophobicContact CB-CB 3.91Å; N149-D152 HydrophobicContact CB-CB 4.45Å; N149-D152 WeakPolarHBondContact CB-OD2 3.38Å; N149-D152 WeakPolarHBondContact O-CB 3.48Å; N149-D152 PolarHBondContact O-N 3.19Å; T150-D152 VanDerWaalsContact C-N 3.32Å; T150-D152 PolarHBondContact O-N 3.48Å; D152-Y154 VanDerWaalsContact C-N 3.34Å; D152-Y154 PolarHBondContact O-N 2.85Å; D152-A155 PolarHBondContact O-N 3.38Å; D152-A155 VanDerWaalsContact O-N 3.17Å; D152-C156 WeakPolarHBondContact O-CB 3.21Å; D152-C156 PolarHBondContact O-N 3.16Å; D152-C156 PolarHBondContact O-SG 3.22Å
153T91.8Very high93.3Very high4 Ų464.6 Ų64.63%0.02534%0.344CS..Hα-helixtrans-54-50.3170.7-57.90000110.9I109 D110 F145 H147 N149 T150 A155 C156 I157I109-T153 HydrophobicContact CG2-CG2 3.77Å; D110-T153 WeakPolarHBondContact OD1-CG2 3.49Å; F145-T153 HydrophobicContact CB-CG2 4.46Å; F145-T153 WeakPolarHBondContact O-CG2 3.42Å; F145-T153 PolarHBondContact O-OG1 2.82Å; H147-T153 PolarHBondContact N-OG1 3.08Å; N149-T153 PolarHBondContact O-N 3.4Å; T150-T153 WeakPolarHBondContact O-CB 3.38Å; T150-T153 PolarHBondContact O-N 2.87Å; T153-A155 PolarHBondContact O-N 3.06Å; T153-C156 PolarHBondContact O-N 3.2Å; T153-I157 HydrophobicContact CG2-CD1 3.8Å; T153-I157 HydrophobicContact CG2-CG1 4.48Å; T153-I157 VanDerWaalsContact O-CG1 3.28Å; T153-I157 WeakPolarHBondContact O-CG1 2.96Å; T153-I157 PolarHBondContact O-N 3.09Å
154Y92.5Very high93.4Very high61 Ų6166.7 Ų66.724%0.23935%0.352CS..Hα-helixtrans-62.1-39.8177.5-75.5-52000113.1I109 L112 V117 T150 Q151 D152 K158I109-Y154 HydrophobicContact CG2-CD1 4.06Å; I109-Y154 HydrophobicContact CG2-CE1 3.62Å; I109-Y154 HydrophobicContact CG2-CE2 4.45Å; L112-Y154 HydrophobicContact CD1-CE1 4.05Å; V117-Y154 HydrophobicContact CB-CD1 4.31Å; V117-Y154 HydrophobicContact CG1-CD1 3.4Å; V117-Y154 VanDerWaalsContact CG1-CD1 3.4Å; V117-Y154 HydrophobicContact CG1-CE1 4.02Å; V117-Y154 HydrophobicContact CG1-CG 4.14Å; V117-Y154 HydrophobicContact CG2-CD1 3.87Å; V117-Y154 HydrophobicContact CG2-CE1 4.12Å; T150-Y154 HydrophobicContact CG2-CD2 3.86Å; T150-Y154 HydrophobicContact CG2-CE2 3.45Å; T150-Y154 VanDerWaalsContact CG2-CE2 3.45Å; T150-Y154 WeakPolarHBondContact O-CD2 3.43Å; T150-Y154 PolarHBondContact O-N 3.16Å; Q151-Y154 PolarHBondContact O-N 2.89Å; D152-Y154 VanDerWaalsContact C-N 3.34Å; D152-Y154 PolarHBondContact O-N 2.85Å; Y154-K158 WeakPolarHBondContact O-CB 3.46Å; Y154-K158 VanDerWaalsContact O-CG 3.26Å; Y154-K158 WeakPolarHBondContact O-CG 3.5Å; Y154-K158 PolarHBondContact O-N 2.73Å
155A94.6Very high93.4Very high49 Ų4967.7 Ų67.741%0.40536%0.359SS..Hα-helixtrans-64.8-44.317800000111.5Q151 D152 T153 K158 T159Q151-A155 WeakPolarHBondContact O-CB 3.47Å; Q151-A155 PolarHBondContact O-N 3.45Å; D152-A155 PolarHBondContact O-N 3.38Å; D152-A155 VanDerWaalsContact O-N 3.17Å; T153-A155 PolarHBondContact O-N 3.06Å; A155-K158 PolarHBondContact O-N 3.17Å; A155-T159 WeakPolarHBondContact O-CB 3.3Å; A155-T159 WeakPolarHBondContact O-CG2 3.38Å; A155-T159 PolarHBondContact O-N 3.49Å; A155-T159 PolarHBondContact O-OG1 3.15Å
156C95.7Very high93.5Very high18 Ų1874.2 Ų74.212%0.12240%0.401CS..Hα-helixtrans-65.4-40.8176.6-72.30000112F145 H147 D152 T153 T159 V160 K161F145-C156 HydrophobicContact CB-CB 4.48Å; F145-C156 HydrophobicContact CD1-CB 3.94Å; H147-C156 PolarHBondContact NE2-SG 3.46Å; D152-C156 WeakPolarHBondContact O-CB 3.21Å; D152-C156 PolarHBondContact O-N 3.16Å; D152-C156 PolarHBondContact O-SG 3.22Å; T153-C156 PolarHBondContact O-N 3.2Å; C156-T159 CarbonylContact O-C 3.58Å; C156-T159 PolarHBondContact O-N 3.3Å; C156-V160 CarbonylContact O-C 3.56Å; C156-V160 VanDerWaalsContact O-CA 3.24Å; C156-V160 WeakPolarHBondContact O-CA 2.93Å; C156-V160 PolarHBondContact O-N 2.84Å; C156-K161 PolarHBondContact O-N 3.18Å
157I95.9Very high93.9Very high0 Ų072 Ų720%039%0.394CS..Hα-helixtrans-61.7-51.3173.2-69.1167.4000110.6I109 L112 P114 V117 W129 F145 T153 T159 V160I109-I157 VanDerWaalsContact O-CD1 3.24Å; I109-I157 WeakPolarHBondContact O-CD1 3.39Å; L112-I157 VanDerWaalsContact O-CG2 3.31Å; L112-I157 WeakPolarHBondContact O-CG2 3.4Å; P114-I157 HydrophobicContact CG-CG2 4.2Å; P114-I157 WeakPolarHBondContact CG-O 3.4Å; V117-I157 HydrophobicContact CG2-CG2 3.79Å; W129-I157 HydrophobicContact CZ2-CG2 4.07Å; F145-I157 HydrophobicContact CB-CD1 4.48Å; F145-I157 HydrophobicContact CB-CG1 3.78Å; F145-I157 HydrophobicContact CD1-CG1 4.47Å; F145-I157 HydrophobicContact CD2-CG1 3.76Å; F145-I157 HydrophobicContact CG-CG1 3.75Å; T153-I157 HydrophobicContact CG2-CD1 3.8Å; T153-I157 HydrophobicContact CG2-CG1 4.48Å; T153-I157 VanDerWaalsContact O-CG1 3.28Å; T153-I157 WeakPolarHBondContact O-CG1 2.96Å; T153-I157 PolarHBondContact O-N 3.09Å; I157-T159 PolarHBondContact O-N 3.18Å; I157-V160 PolarHBondContact O-N 2.74Å; I157-V160 VanDerWaalsContact O-N 3.11Å
158K94.3Very high94.4Very high100 Ų10068.3 Ų68.344%0.43538%0.377SS..Hα-helixtrans-59.4-34.5-178.8-76.5177.1-174.7-179.70113.3V117 Y154 A155V117-K158 HydrophobicContact CB-CG 4.49Å; V117-K158 HydrophobicContact CG1-CD 4.25Å; V117-K158 HydrophobicContact CG1-CG 3.92Å; Y154-K158 WeakPolarHBondContact O-CB 3.46Å; Y154-K158 VanDerWaalsContact O-CG 3.26Å; Y154-K158 WeakPolarHBondContact O-CG 3.5Å; Y154-K158 PolarHBondContact O-N 2.73Å; A155-K158 PolarHBondContact O-N 3.17Å
159T95.5Very high95Very high84 Ų8463.8 Ų63.852%0.51535%0.347SS..Hα-helixtrans-96.4-3.3-179.457.90000113.4A155 C156 I157 K161A155-T159 WeakPolarHBondContact O-CB 3.3Å; A155-T159 WeakPolarHBondContact O-CG2 3.38Å; A155-T159 PolarHBondContact O-N 3.49Å; A155-T159 PolarHBondContact O-OG1 3.15Å; C156-T159 CarbonylContact O-C 3.58Å; C156-T159 PolarHBondContact O-N 3.3Å; I157-T159 PolarHBondContact O-N 3.18Å; T159-K161 VanDerWaalsContact C-N 3.25Å; T159-K161 PolarHBondContact O-N 2.7Å
160V97.2Very high95.5Very high28 Ų2865.6 Ų65.617%0.1736%0.362CS..THydrogen-bonded Turntrans50.147.3-174.9-1640000111.4P114 W129 F145 C156 I157 Y162 L180 R182P114-V160 HydrophobicContact CG-CG2 4.12Å; W129-V160 HydrophobicContact CH2-CG1 4.23Å; W129-V160 HydrophobicContact CH2-CG2 4.2Å; W129-V160 HydrophobicContact CZ3-CG1 4.26Å; W129-V160 HydrophobicContact CZ3-CG2 4.25Å; F145-V160 HydrophobicContact CZ-CG1 4.31Å; C156-V160 CarbonylContact O-C 3.56Å; C156-V160 VanDerWaalsContact O-CA 3.24Å; C156-V160 WeakPolarHBondContact O-CA 2.93Å; C156-V160 PolarHBondContact O-N 2.84Å; I157-V160 PolarHBondContact O-N 2.74Å; I157-V160 VanDerWaalsContact O-N 3.11Å; V160-Y162 HydrophobicContact CG1-CD1 4.35Å; V160-Y162 HydrophobicContact CG1-CE1 3.97Å; V160-L180 HydrophobicContact CG1-CB 4.5Å; V160-L180 WeakPolarHBondContact CG1-O 3.39Å; V160-R182 HydrophobicContact CG2-CB 3.63Å; V160-R182 HydrophobicContact CG2-CG 4.19Å
161K97.1Very high96Very high148 Ų14865.7 Ų65.764%0.64336%0.359SS*.  trans-100.8111.8-177.7-173.4-179.2179.1-176.80110.5F145 C156 T159F145-K161 WeakPolarHBondContact CD1-O 3.33Å; C156-K161 PolarHBondContact O-N 3.18Å; T159-K161 VanDerWaalsContact C-N 3.25Å; T159-K161 PolarHBondContact O-N 2.7Å
162Y97.3Very high96.3Very high47 Ų4758.8 Ų58.818%0.18433%0.327CS..  trans-152.1168.617664.8-79.4000110.2Y136 P144 F145 V160 F164 I176 S177 L180Y136-Y162 HydrophobicContact CE2-CD2 4.22Å; P144-Y162 HydrophobicContact CB-CD2 4.08Å; P144-Y162 HydrophobicContact CB-CG 4.06Å; F145-Y162 AromaticContact CE1-CD1 3.57Å; F145-Y162 HydrophobicContact CE1-CD1 3.57Å; F145-Y162 HydrophobicContact CE1-CG 4Å; F145-Y162 AromaticContact CZ-CD1 3.67Å; F145-Y162 HydrophobicContact CZ-CD1 3.67Å; F145-Y162 HydrophobicContact CZ-CE1 4.3Å; F145-Y162 HydrophobicContact CZ-CG 4.27Å; V160-Y162 HydrophobicContact CG1-CD1 4.35Å; V160-Y162 HydrophobicContact CG1-CE1 3.97Å; Y162-F164 HydrophobicContact CE2-CD1 4.47Å; Y162-F164 HydrophobicContact CE2-CD2 4.46Å; Y162-F164 AromaticContact CE2-CE1 3.86Å; Y162-F164 HydrophobicContact CE2-CE1 3.86Å; Y162-F164 AromaticContact CE2-CE2 3.83Å; Y162-F164 HydrophobicContact CE2-CE2 3.83Å; Y162-F164 AromaticContact CE2-CZ 3.52Å; Y162-F164 HydrophobicContact CE2-CZ 3.52Å; Y162-I176 HydrophobicContact CE2-CG2 4.41Å; Y162-S177 WeakPolarHBondContact OH-CA 3.29Å; Y162-L180 HydrophobicContact CE1-CB 4.1Å; Y162-L180 HydrophobicContact CE1-CD1 4.06Å; Y162-L180 HydrophobicContact CE2-CD1 4.22Å
163T97.6Very high96.6Very high114 Ų11457.7 Ų57.770%0.69932%0.319SS*.  trans-132.5145.7178.957.10000110Y136Y136-T163 PolarHBondContact OH-O 3.34Å
164F98.2Very high97Very high52 Ų5260.6 Ų60.623%0.22834%0.335CS..  trans-85.9127.7175.7-67.3-74.2000111.9Y136 Y162 I168 Q173 I176Y136-F164 HydrophobicContact CD2-CD1 4.01Å; Y136-F164 AromaticContact CD2-CE1 3.97Å; Y136-F164 HydrophobicContact CD2-CE1 3.97Å; Y136-F164 AromaticContact CE2-CD1 3.78Å; Y136-F164 HydrophobicContact CE2-CD1 3.78Å; Y136-F164 HydrophobicContact CE2-CE1 4.15Å; Y162-F164 HydrophobicContact CE2-CD1 4.47Å; Y162-F164 HydrophobicContact CE2-CD2 4.46Å; Y162-F164 AromaticContact CE2-CE1 3.86Å; Y162-F164 HydrophobicContact CE2-CE1 3.86Å; Y162-F164 AromaticContact CE2-CE2 3.83Å; Y162-F164 HydrophobicContact CE2-CE2 3.83Å; Y162-F164 AromaticContact CE2-CZ 3.52Å; Y162-F164 HydrophobicContact CE2-CZ 3.52Å; F164-I168 HydrophobicContact CD1-CB 4.39Å; F164-I168 HydrophobicContact CD1-CD1 4.08Å; F164-I168 HydrophobicContact CD1-CG2 4.05Å; F164-I168 HydrophobicContact CE1-CG2 4.44Å; F164-Q173 HydrophobicContact CB-CG 3.84Å; F164-Q173 HydrophobicContact CD1-CB 4.25Å; F164-Q173 HydrophobicContact CD1-CG 3.67Å; F164-Q173 HydrophobicContact CD2-CB 3.84Å; F164-Q173 HydrophobicContact CD2-CG 3.66Å; F164-Q173 HydrophobicContact CE1-CB 4.1Å; F164-Q173 HydrophobicContact CE1-CG 4.01Å; F164-Q173 HydrophobicContact CE2-CB 3.7Å; F164-Q173 HydrophobicContact CE2-CG 4.02Å; F164-Q173 HydrophobicContact CG-CB 4.1Å; F164-Q173 HydrophobicContact CG-CG 3.45Å; F164-Q173 VanDerWaalsContact CG-CG 3.45Å; F164-Q173 HydrophobicContact CZ-CB 3.81Å; F164-Q173 HydrophobicContact CZ-CG 4.16Å; F164-Q173 WeakPolarHBondContact CZ-O 3.22Å; F164-I176 HydrophobicContact CE1-CB 3.87Å; F164-I176 HydrophobicContact CE1-CD1 4Å; F164-I176 HydrophobicContact CE1-CG2 3.77Å; F164-I176 HydrophobicContact CZ-CB 3.96Å; F164-I176 HydrophobicContact CZ-CG2 3.93Å
165P97.2Very high97.3Very high35 Ų3557.7 Ų57.723%0.22732%0.323CS..  trans-66.4152.716725.5-32.2000110.5Y136 C140 V167 I168Y136-P165 VanDerWaalsContact OH-CD 3.29Å; Y136-P165 WeakPolarHBondContact OH-CD 3.33Å; C140-P165 HydrophobicContact CB-CG 3.65Å; P165-V167 HydrophobicContact CB-CG1 4.07Å; P165-V167 HydrophobicContact CG-CG1 3.9Å; P165-V167 PolarHBondContact O-N 3.41Å; P165-I168 HydrophobicContact CG-CD1 4.03Å; P165-I168 HydrophobicContact CG-CG1 4.09Å; P165-I168 PolarHBondContact O-N 3.05Å
166P97Very high97.5Very high137 Ų13755.4 Ų55.489%0.8930%0.304SS*.THydrogen-bonded Turntrans-56.9-18.3-177.8-2634.2000114.9I168P166-I168 VanDerWaalsContact C-N 3.33Å
167V97.6Very high97.6Very high54 Ų5456.3 Ų56.333%0.32731%0.311SS..THydrogen-bonded Turntrans-72.9-22.8-178.977.30000113.6C140 P165C140-V167 HydrophobicContact CB-CG1 3.76Å; P165-V167 HydrophobicContact CB-CG1 4.07Å; P165-V167 HydrophobicContact CG-CG1 3.9Å; P165-V167 PolarHBondContact O-N 3.41Å
168I98.3Very high97.7Very high1 Ų160.3 Ų60.31%0.00533%0.328CS..SBendtrans-87.8118.2177.8-60.9-175.5000107.8Y136 L139 C140 F164 P165 P166 A172 Q173 I176Y136-I168 HydrophobicContact CD2-CD1 3.79Å; Y136-I168 HydrophobicContact CE2-CD1 3.85Å; Y136-I168 HydrophobicContact CG-CD1 4.22Å; L139-I168 HydrophobicContact CB-CD1 4.16Å; L139-I168 HydrophobicContact CB-CG1 3.92Å; L139-I168 HydrophobicContact CD1-CG2 4.16Å; C140-I168 HydrophobicContact CB-CD1 4.15Å; C140-I168 HydrophobicContact CB-CG1 4.31Å; F164-I168 HydrophobicContact CD1-CB 4.39Å; F164-I168 HydrophobicContact CD1-CD1 4.08Å; F164-I168 HydrophobicContact CD1-CG2 4.05Å; F164-I168 HydrophobicContact CE1-CG2 4.44Å; P165-I168 HydrophobicContact CG-CD1 4.03Å; P165-I168 HydrophobicContact CG-CG1 4.09Å; P165-I168 PolarHBondContact O-N 3.05Å; P166-I168 VanDerWaalsContact C-N 3.33Å; I168-A172 HydrophobicContact CG2-CB 3.67Å; I168-Q173 HydrophobicContact CB-CG 4.34Å; I168-Q173 HydrophobicContact CG2-CG 3.72Å; I168-Q173 PolarHBondContact O-NE2 3.48Å; I168-I176 HydrophobicContact CG2-CD1 4.25Å
169T98.1Very high97.9Very high50 Ų5055.5 Ų55.531%0.30731%0.307SS..  trans-66.4153.2-176.261.50000112.2E46 M171 A172 Q173E46-T169 VanDerWaalsContact OE1-CB 3.26Å; E46-T169 WeakPolarHBondContact OE1-CB 3.24Å; E46-T169 WeakPolarHBondContact OE1-CG2 3.36Å; E46-T169 PolarHBondContact OE1-OG1 3.38Å; E46-T169 PolarHBondContact OE2-OG1 2.87Å; T169-M171 PolarHBondContact O-N 2.84Å; T169-A172 WeakPolarHBondContact O-CB 3.48Å; T169-A172 PolarHBondContact O-N 3.22Å; T169-A172 PolarHBondContact OG1-N 3.31Å; T169-Q173 WeakPolarHBondContact O-CG 3.32Å; T169-Q173 PolarHBondContact O-N 2.89Å
170P98.4Very high98.1Very high105 Ų10551.7 Ų51.768%0.68228%0.284SS*.Hα-helixtrans-52.3-33.5178.2-29.136000114.2Q173 D174P170-Q173 PolarHBondContact O-N 2.9Å; P170-D174 WeakPolarHBondContact O-CB 3.37Å; P170-D174 PolarHBondContact O-N 2.95Å
171M98.2Very high98.1Very high69 Ų6953.7 Ų53.734%0.3429%0.291SS..Hα-helixtrans-70.1-38.2178.1-167.4-176.4-69.100112.4T169 M175 P197 W198 N201 F202T169-M171 PolarHBondContact O-N 2.84Å; M171-M175 PolarHBondContact O-N 2.99Å; M171-P197 HydrophobicContact SD-CB 4.32Å; M171-W198 HydrophobicContact CG-CB 3.85Å; M171-W198 HydrophobicContact CG-CG 4.33Å; M171-W198 HydrophobicContact SD-CB 4.23Å; M171-N201 WeakPolarHBondContact CE-ND2 3.46Å; M171-N201 PolarHBondContact SD-ND2 3.17Å; M171-N201 VanDerWaalsContact SD-ND2 3.39Å; M171-F202 HydrophobicContact SD-CE2 4.33Å
172A98.6Very high98.1Very high0 Ų052.7 Ų52.70%028%0.283CS..Hα-helixtrans-69.6-38.9171.800000111.5L139 I168 T169 D174 M175 I176 W198L139-A172 HydrophobicContact CD1-CB 3.77Å; I168-A172 HydrophobicContact CG2-CB 3.67Å; T169-A172 WeakPolarHBondContact O-CB 3.48Å; T169-A172 PolarHBondContact O-N 3.22Å; T169-A172 PolarHBondContact OG1-N 3.31Å; A172-D174 PolarHBondContact O-N 3.35Å; A172-M175 PolarHBondContact O-N 2.91Å; A172-I176 VanDerWaalsContact O-CG1 3.31Å; A172-I176 WeakPolarHBondContact O-CG1 3.4Å; A172-I176 PolarHBondContact O-N 3.48Å; A172-W198 HydrophobicContact CB-CD2 4.35Å; A172-W198 HydrophobicContact CB-CG 4.36Å; A172-W198 HydrophobicContact CB-CZ2 4.34Å
173Q98.7Very high98.1Very high56 Ų5657 Ų5726%0.26230%0.3SS..Hα-helixtrans-60.3-44.7176.2-62.8-176.122.300111.6F164 I168 T169 P170 M175 I176 S177F164-Q173 HydrophobicContact CB-CG 3.84Å; F164-Q173 HydrophobicContact CD1-CB 4.25Å; F164-Q173 HydrophobicContact CD1-CG 3.67Å; F164-Q173 HydrophobicContact CD2-CB 3.84Å; F164-Q173 HydrophobicContact CD2-CG 3.66Å; F164-Q173 HydrophobicContact CE1-CB 4.1Å; F164-Q173 HydrophobicContact CE1-CG 4.01Å; F164-Q173 HydrophobicContact CE2-CB 3.7Å; F164-Q173 HydrophobicContact CE2-CG 4.02Å; F164-Q173 HydrophobicContact CG-CB 4.1Å; F164-Q173 HydrophobicContact CG-CG 3.45Å; F164-Q173 VanDerWaalsContact CG-CG 3.45Å; F164-Q173 HydrophobicContact CZ-CB 3.81Å; F164-Q173 HydrophobicContact CZ-CG 4.16Å; F164-Q173 WeakPolarHBondContact CZ-O 3.22Å; I168-Q173 HydrophobicContact CB-CG 4.34Å; I168-Q173 HydrophobicContact CG2-CG 3.72Å; I168-Q173 PolarHBondContact O-NE2 3.48Å; T169-Q173 WeakPolarHBondContact O-CG 3.32Å; T169-Q173 PolarHBondContact O-N 2.89Å; P170-Q173 PolarHBondContact O-N 2.9Å; Q173-M175 VanDerWaalsContact C-N 3.34Å; Q173-M175 PolarHBondContact O-N 3.07Å; Q173-I176 PolarHBondContact O-N 2.82Å; Q173-S177 VanDerWaalsContact O-CB 3.3Å; Q173-S177 WeakPolarHBondContact O-CB 3.27Å; Q173-S177 PolarHBondContact O-N 3.45Å; Q173-S177 PolarHBondContact O-OG 3.05Å
174D98.7Very high98Very high65 Ų6553 Ų5335%0.34828%0.276SS..Hα-helixtrans-57.8-45.6175.5179.857.7000111.3P170 A172 S177 K178 H196P170-D174 WeakPolarHBondContact O-CB 3.37Å; P170-D174 PolarHBondContact O-N 2.95Å; A172-D174 PolarHBondContact O-N 3.35Å; D174-S177 PolarHBondContact O-OG 3.03Å; D174-K178 WeakPolarHBondContact O-CG 3.27Å; D174-K178 PolarHBondContact O-N 3.41Å; D174-K178 WeakPolarHBondContact OD1-CE 3.41Å; D174-K178 IonicContact OD1-NZ 3.83Å; D174-K178 PolarHBondContact OD1-NZ 3.32Å; D174-K178 IonicContact OD2-NZ 3.15Å; D174-K178 PolarHBondContact OD2-NZ 3.23Å; D174-H196 IonicContact OD2-CE1 2.74Å; D174-H196 PolarHBondContact OD2-CE1 2.49Å; D174-H196 IonicContact OD2-NE2 3.79Å; D174-H196 PolarHBondContact OD2-NE2 2.68Å
175M98.6Very high98Very high0 Ų055.1 Ų55.10%029%0.294CS..Hα-helixtrans-62.3-52.5176.3-164.8-178.167.900112.1C135 M171 A172 Q173 S177 K178 I179 I193 H196 W198 I199C135-M175 HydrophobicContact CB-CE 4.37Å; C135-M175 WeakPolarHBondContact SG-CE 3.46Å; M171-M175 PolarHBondContact O-N 2.99Å; A172-M175 PolarHBondContact O-N 2.91Å; Q173-M175 VanDerWaalsContact C-N 3.34Å; Q173-M175 PolarHBondContact O-N 3.07Å; M175-S177 VanDerWaalsContact C-N 3.31Å; M175-S177 PolarHBondContact O-N 2.77Å; M175-K178 PolarHBondContact O-N 3.24Å; M175-I179 HydrophobicContact CE-CD1 4.4Å; M175-I179 HydrophobicContact CG-CD1 4.02Å; M175-I179 WeakPolarHBondContact O-CG1 3.47Å; M175-I179 PolarHBondContact O-N 2.91Å; M175-I193 HydrophobicContact SD-CG2 4.18Å; M175-H196 VanDerWaalsContact CB-CE1 3.44Å; M175-H196 WeakPolarHBondContact CB-CE1 3.35Å; M175-H196 WeakPolarHBondContact CB-ND1 3.43Å; M175-H196 HydrophobicContact CG-CB 4.1Å; M175-H196 HydrophobicContact SD-CB 4.13Å; M175-W198 HydrophobicContact CB-CB 4.46Å; M175-W198 HydrophobicContact CE-CD2 4.1Å; M175-W198 HydrophobicContact CE-CE3 3.22Å; M175-W198 HydrophobicContact CE-CH2 4.47Å; M175-W198 HydrophobicContact CE-CZ3 3.44Å; M175-W198 VanDerWaalsContact CE-CZ3 3.44Å; M175-W198 HydrophobicContact SD-CB 4.24Å; M175-W198 HydrophobicContact SD-CD2 4.34Å; M175-W198 HydrophobicContact SD-CE3 3.55Å; M175-W198 VanDerWaalsContact SD-CE3 3.55Å; M175-W198 HydrophobicContact SD-CZ3 4.27Å; M175-I199 HydrophobicContact SD-CD1 4.16Å; M175-I199 HydrophobicContact SD-CG1 3.77Å
176I98.8Very high98Very high0 Ų057.8 Ų57.80%031%0.306CS..Hα-helixtrans-62.1-42-175.7-68.4164.5000110.3C135 Y136 L139 Y162 F164 I168 A172 Q173 K178 I179 L180C135-I176 HydrophobicContact CB-CD1 4.48Å; C135-I176 HydrophobicContact CB-CG1 4.2Å; Y136-I176 HydrophobicContact CD2-CD1 4.43Å; Y136-I176 HydrophobicContact CD2-CG2 4.42Å; L139-I176 HydrophobicContact CD1-CD1 4.16Å; Y162-I176 HydrophobicContact CE2-CG2 4.41Å; F164-I176 HydrophobicContact CE1-CB 3.87Å; F164-I176 HydrophobicContact CE1-CD1 4Å; F164-I176 HydrophobicContact CE1-CG2 3.77Å; F164-I176 HydrophobicContact CZ-CB 3.96Å; F164-I176 HydrophobicContact CZ-CG2 3.93Å; I168-I176 HydrophobicContact CG2-CD1 4.25Å; A172-I176 VanDerWaalsContact O-CG1 3.31Å; A172-I176 WeakPolarHBondContact O-CG1 3.4Å; A172-I176 PolarHBondContact O-N 3.48Å; Q173-I176 PolarHBondContact O-N 2.82Å; I176-K178 VanDerWaalsContact C-N 3.33Å; I176-K178 PolarHBondContact O-N 2.71Å; I176-I179 PolarHBondContact O-N 2.92Å; I176-I179 VanDerWaalsContact O-N 3.11Å; I176-L180 HydrophobicContact CG2-CD1 3.58Å; I176-L180 HydrophobicContact CG2-CG 3.98Å; I176-L180 WeakPolarHBondContact O-CB 3.38Å; I176-L180 PolarHBondContact O-N 3.22Å
177S98.5Very high98.1Very high38 Ų3851.9 Ų51.927%0.26627%0.266SS..Hα-helixtrans-64.8-33.6178.165.60000113.2Y162 Q173 D174 M175 I179 Q181Y162-S177 WeakPolarHBondContact OH-CA 3.29Å; Q173-S177 VanDerWaalsContact O-CB 3.3Å; Q173-S177 WeakPolarHBondContact O-CB 3.27Å; Q173-S177 PolarHBondContact O-N 3.45Å; Q173-S177 PolarHBondContact O-OG 3.05Å; D174-S177 PolarHBondContact O-OG 3.03Å; M175-S177 VanDerWaalsContact C-N 3.31Å; M175-S177 PolarHBondContact O-N 2.77Å; S177-I179 VanDerWaalsContact C-N 3.31Å; S177-I179 PolarHBondContact O-N 2.97Å; S177-Q181 PolarHBondContact O-NE2 3.43Å
178K98.6Very high98.1Very high83 Ų8351.2 Ų51.236%0.36126%0.26SS..Hα-helixtrans-71.4-23.6172.9-70.9168.3-179.5160.80113.3D174 M175 I176 L188D174-K178 WeakPolarHBondContact O-CG 3.27Å; D174-K178 PolarHBondContact O-N 3.41Å; D174-K178 WeakPolarHBondContact OD1-CE 3.41Å; D174-K178 IonicContact OD1-NZ 3.83Å; D174-K178 PolarHBondContact OD1-NZ 3.32Å; D174-K178 IonicContact OD2-NZ 3.15Å; D174-K178 PolarHBondContact OD2-NZ 3.23Å; M175-K178 PolarHBondContact O-N 3.24Å; I176-K178 VanDerWaalsContact C-N 3.33Å; I176-K178 PolarHBondContact O-N 2.71Å; K178-L188 HydrophobicContact CB-CB 4.15Å; K178-L188 HydrophobicContact CB-CD2 4.21Å; K178-L188 PolarHBondContact O-N 2.95Å
179I98.6Very high98.1Very high0 Ų053.4 Ų53.40%028%0.276CS..Hα-helixtrans-86.7-46.5177.5-60.7164.2000111.2H128 M175 I176 S177 Q181 R187 L188 I193H128-I179 WeakPolarHBondContact O-CG2 3.19Å; M175-I179 HydrophobicContact CE-CD1 4.4Å; M175-I179 HydrophobicContact CG-CD1 4.02Å; M175-I179 WeakPolarHBondContact O-CG1 3.47Å; M175-I179 PolarHBondContact O-N 2.91Å; I176-I179 PolarHBondContact O-N 2.92Å; I176-I179 VanDerWaalsContact O-N 3.11Å; S177-I179 VanDerWaalsContact C-N 3.31Å; S177-I179 PolarHBondContact O-N 2.97Å; I179-Q181 PolarHBondContact O-N 2.89Å; I179-R187 VanDerWaalsContact O-CG 3.27Å; I179-R187 WeakPolarHBondContact O-CG 3.19Å; I179-L188 HydrophobicContact CG1-CB 4.11Å; I179-L188 HydrophobicContact CG1-CD2 4.42Å; I179-I193 HydrophobicContact CD1-CD1 3.73Å; I179-I193 HydrophobicContact CD1-CG1 3.75Å; I179-I193 HydrophobicContact CD1-CG2 4.33Å; I179-I193 HydrophobicContact CG1-CD1 3.78Å; I179-I193 HydrophobicContact CG1-CG1 3.77Å; I179-I193 HydrophobicContact CG2-CD1 4.46Å
180L98.6Very high98.1Very high3 Ų351.1 Ų51.12%0.01626%0.262CS..SBendtrans-80.468.3-177.6-62.1-174.2000110.6W129 I133 P144 F145 V160 Y162 I176W129-L180 HydrophobicContact CD2-CD2 3.99Å; W129-L180 HydrophobicContact CE3-CD2 3.92Å; W129-L180 HydrophobicContact CH2-CD2 4.49Å; W129-L180 HydrophobicContact CZ3-CB 4.33Å; W129-L180 HydrophobicContact CZ3-CD2 4.18Å; I133-L180 HydrophobicContact CD1-CD1 4.34Å; I133-L180 HydrophobicContact CD1-CD2 3.79Å; I133-L180 HydrophobicContact CG1-CD2 4.24Å; P144-L180 HydrophobicContact CG-CD1 4.1Å; F145-L180 HydrophobicContact CE2-CD1 4.46Å; F145-L180 HydrophobicContact CZ-CD1 4.47Å; V160-L180 HydrophobicContact CG1-CB 4.5Å; V160-L180 WeakPolarHBondContact CG1-O 3.39Å; Y162-L180 HydrophobicContact CE1-CB 4.1Å; Y162-L180 HydrophobicContact CE1-CD1 4.06Å; Y162-L180 HydrophobicContact CE2-CD1 4.22Å; I176-L180 HydrophobicContact CG2-CD1 3.58Å; I176-L180 HydrophobicContact CG2-CG 3.98Å; I176-L180 WeakPolarHBondContact O-CB 3.38Å; I176-L180 PolarHBondContact O-N 3.22Å
181Q98.3Very high98.1Very high71 Ų7151.3 Ų51.333%0.33225%0.254SS..  trans-104143.5174.6-65.6-67.1-30.600111S177 I179 D186 R187S177-Q181 PolarHBondContact O-NE2 3.43Å; I179-Q181 PolarHBondContact O-N 2.89Å; Q181-D186 HydrophobicContact CB-CB 3.91Å; Q181-D186 HydrophobicContact CG-CB 4.14Å; Q181-R187 HydrophobicContact CB-CG 3.95Å; Q181-R187 PolarHBondContact O-NE 3.17Å
182R96.7Very high98.1Very high126 Ų12648.9 Ų48.948%0.47525%0.247SC..SBendtrans-61.1-48.8-178.4-178.4174.8178.5154.30.3111.3V160V160-R182 HydrophobicContact CG2-CB 3.63Å; V160-R182 HydrophobicContact CG2-CG 4.19Å
183Y96.3Very high98.1Very high137 Ų13748.9 Ų48.954%0.53725%0.247SC..SBendtrans-87.6129.4179-59.6-71.4000109.2T185 D186Y183-T185 PolarHBondContact O-N 3.07Å; Y183-D186 WeakPolarHBondContact CB-OD2 3.47Å; Y183-D186 PolarHBondContact O-N 3.43Å; Y183-D186 VanDerWaalsContact O-N 3.08Å
184P97Very high98.1Very high30 Ų3047.3 Ų47.320%0.19524%0.24CC..G310 helixtrans-53.7-38.7-179.7-28.935.6000113.2E115 R125 D186 R187E115-P184 HydrophobicContact CG-CG 4.31Å; R125-P184 HydrophobicContact CB-CB 3.99Å; R125-P184 WeakPolarHBondContact CD-O 3.3Å; P184-D186 PolarHBondContact O-N 2.88Å; P184-R187 WeakPolarHBondContact O-CB 3.38Å; P184-R187 WeakPolarHBondContact O-CG 3.49Å; P184-R187 PolarHBondContact O-N 3.14Å; P184-R187 VanDerWaalsContact O-N 3.16Å
185T96.9Very high98.1Very high98 Ų9848.1 Ų48.160%0.60125%0.251SS*.G310 helixtrans-62.2-24.3-178.949.30000114.5Y183Y183-T185 PolarHBondContact O-N 3.07Å
186D97.8Very high98.1Very high91 Ų9148.6 Ų48.649%0.48725%0.253SS..G310 helixtrans-90.2-11.1-176.7-57.1-14.9000111.4Q181 Y183 P184Q181-D186 HydrophobicContact CB-CB 3.91Å; Q181-D186 HydrophobicContact CG-CB 4.14Å; Y183-D186 WeakPolarHBondContact CB-OD2 3.47Å; Y183-D186 PolarHBondContact O-N 3.43Å; Y183-D186 VanDerWaalsContact O-N 3.08Å; P184-D186 PolarHBondContact O-N 2.88Å
187R98.4Very high98.1Very high12 Ų1251.9 Ų51.95%0.04527%0.274CS..SBendtrans-67.6137.4179-57.8-176.9-175.7143.610.7110.2E115 R125 I179 Q181 P184 S189E115-R187 VanDerWaalsContact CD-NH2 3.31Å; E115-R187 IonicContact OE1-CZ 3Å; E115-R187 IonicContact OE1-NH1 2.68Å; E115-R187 PolarHBondContact OE1-NH1 3.05Å; E115-R187 IonicContact OE1-NH2 2.95Å; E115-R187 PolarHBondContact OE1-NH2 3.12Å; E115-R187 VanDerWaalsContact OE1-NH2 3.15Å; E115-R187 IonicContact OE2-CZ 2.68Å; E115-R187 IonicContact OE2-NH1 3.73Å; E115-R187 IonicContact OE2-NH2 3.41Å; E115-R187 PolarHBondContact OE2-NH2 3.16Å; R125-R187 PolarHBondContact O-NH1 3.46Å; I179-R187 VanDerWaalsContact O-CG 3.27Å; I179-R187 WeakPolarHBondContact O-CG 3.19Å; Q181-R187 HydrophobicContact CB-CG 3.95Å; Q181-R187 PolarHBondContact O-NE 3.17Å; P184-R187 WeakPolarHBondContact O-CB 3.38Å; P184-R187 WeakPolarHBondContact O-CG 3.49Å; P184-R187 PolarHBondContact O-N 3.14Å; P184-R187 VanDerWaalsContact O-N 3.16Å; R187-S189 PolarHBondContact O-N 2.94Å
188L98.2Very high98.1Very high40 Ų4050 Ų5021%0.20926%0.261CS..PPolyproline II helixtrans-52.1131.8168.5-16561.7000110.2H128 K178 I179 I193H128-L188 PolarHBondContact ND1-O 2.87Å; K178-L188 HydrophobicContact CB-CB 4.15Å; K178-L188 HydrophobicContact CB-CD2 4.21Å; K178-L188 PolarHBondContact O-N 2.95Å; I179-L188 HydrophobicContact CG1-CB 4.11Å; I179-L188 HydrophobicContact CG1-CD2 4.42Å; L188-I193 HydrophobicContact CB-CG1 4.19Å; L188-I193 HydrophobicContact CD2-CB 4.45Å; L188-I193 HydrophobicContact CD2-CG1 3.83Å; L188-I193 HydrophobicContact CG-CG1 3.97Å
189S98.5Very high98.1Very high48 Ų4846.1 Ų46.134%0.33624%0.244SC..PPolyproline II helixtrans-69.1163.2176.684.80000111R187 E191 G192 I193R187-S189 PolarHBondContact O-N 2.94Å; S189-E191 WeakPolarHBondContact CB-OE2 3.24Å; S189-E191 PolarHBondContact O-N 3.22Å; S189-E191 PolarHBondContact OG-N 3.39Å; S189-E191 PolarHBondContact OG-OE2 2.91Å; S189-G192 CarbonylContact O-C 3.58Å; S189-G192 WeakPolarHBondContact O-CA 3.46Å; S189-G192 PolarHBondContact O-N 2.8Å; S189-G192 PolarHBondContact OG-N 3.11Å; S189-G192 VanDerWaalsContact OG-N 3.09Å; S189-I193 VanDerWaalsContact O-CG1 3.32Å; S189-I193 WeakPolarHBondContact O-CG1 3.31Å; S189-I193 PolarHBondContact O-N 2.95Å
190L98.6Very high98Very high2 Ų250.1 Ų50.11%0.0126%0.263CS..Hα-helixtrans-57.9-38.8176-62.9177000112C57 L60 M61 V131 G192 I193 I194C57-L190 HydrophobicContact CB-CB 4.47Å; C57-L190 HydrophobicContact CB-CD2 4.39Å; L60-L190 HydrophobicContact CB-CD1 3.56Å; L60-L190 HydrophobicContact CB-CD2 4.41Å; L60-L190 HydrophobicContact CD1-CD2 4.18Å; M61-L190 HydrophobicContact CB-CD1 4.45Å; M61-L190 HydrophobicContact CG-CB 3.61Å; M61-L190 HydrophobicContact CG-CD1 3.71Å; M61-L190 HydrophobicContact CG-CG 4.32Å; M61-L190 HydrophobicContact SD-CB 4.22Å; V131-L190 HydrophobicContact CG2-CD2 4.47Å; L190-G192 VanDerWaalsContact C-N 3.35Å; L190-I193 HydrophobicContact CD2-CD1 4.32Å; L190-I193 PolarHBondContact O-N 2.9Å; L190-I194 PolarHBondContact O-N 3.34Å
191E98.2Very high98Very high108 Ų10855 Ų5551%0.50529%0.289SS..Hα-helixtrans-64.6-40.1173.5-58.676.4-170.200111.6M61 S189 I193 I194 S195M61-E191 HydrophobicContact SD-CG 3.89Å; S189-E191 WeakPolarHBondContact CB-OE2 3.24Å; S189-E191 PolarHBondContact O-N 3.22Å; S189-E191 PolarHBondContact OG-N 3.39Å; S189-E191 PolarHBondContact OG-OE2 2.91Å; E191-I193 VanDerWaalsContact C-N 3.35Å; E191-I194 PolarHBondContact O-N 3.02Å; E191-S195 VanDerWaalsContact O-CB 3.29Å; E191-S195 WeakPolarHBondContact O-CB 3.29Å; E191-S195 PolarHBondContact O-N 3.24Å; E191-S195 PolarHBondContact O-OG 3.46Å
192G98.5Very high97.9Very high19 Ų1955.3 Ų55.320%0.19629%0.289CS..Hα-helixtrans-63.7-39174.600000112.4S189 L190 S195 H196S189-G192 CarbonylContact O-C 3.58Å; S189-G192 WeakPolarHBondContact O-CA 3.46Å; S189-G192 PolarHBondContact O-N 2.8Å; S189-G192 PolarHBondContact OG-N 3.11Å; S189-G192 VanDerWaalsContact OG-N 3.09Å; L190-G192 VanDerWaalsContact C-N 3.35Å; G192-S195 PolarHBondContact O-N 3.38Å; G192-H196 PolarHBondContact O-N 3.36Å
193I98.6Very high98Very high0 Ų049.9 Ų49.90%027%0.272CS..Hα-helixtrans-64.4-50.9175.3-64.3168.4000109.5I53 V131 M175 I179 L188 S189 L190 E191 S195 H196 I199I53-I193 HydrophobicContact CG2-CG2 3.75Å; V131-I193 HydrophobicContact CG1-CD1 4Å; M175-I193 HydrophobicContact SD-CG2 4.18Å; I179-I193 HydrophobicContact CD1-CD1 3.73Å; I179-I193 HydrophobicContact CD1-CG1 3.75Å; I179-I193 HydrophobicContact CD1-CG2 4.33Å; I179-I193 HydrophobicContact CG1-CD1 3.78Å; I179-I193 HydrophobicContact CG1-CG1 3.77Å; I179-I193 HydrophobicContact CG2-CD1 4.46Å; L188-I193 HydrophobicContact CB-CG1 4.19Å; L188-I193 HydrophobicContact CD2-CB 4.45Å; L188-I193 HydrophobicContact CD2-CG1 3.83Å; L188-I193 HydrophobicContact CG-CG1 3.97Å; S189-I193 VanDerWaalsContact O-CG1 3.32Å; S189-I193 WeakPolarHBondContact O-CG1 3.31Å; S189-I193 PolarHBondContact O-N 2.95Å; L190-I193 HydrophobicContact CD2-CD1 4.32Å; L190-I193 PolarHBondContact O-N 2.9Å; E191-I193 VanDerWaalsContact C-N 3.35Å; I193-S195 PolarHBondContact O-N 3.29Å; I193-H196 WeakPolarHBondContact O-CB 3.42Å; I193-H196 PolarHBondContact O-N 3.44Å; I193-I199 HydrophobicContact CG2-CG1 4.43Å; I193-I199 VanDerWaalsContact O-CG1 3.22Å; I193-I199 WeakPolarHBondContact O-CG1 3.43Å
194I98Very high97.9Very high23 Ų2347.8 Ų47.812%0.11827%0.27CS..Hα-helixtrans-58.5-39.3178.4-74.8171.3000111.3Y54 C57 M61 L190 E191 H196 I199 Q200Y54-I194 HydrophobicContact CD2-CG1 4.11Å; Y54-I194 HydrophobicContact CD2-CG2 3.92Å; Y54-I194 HydrophobicContact CE2-CG1 4.46Å; Y54-I194 HydrophobicContact CE2-CG2 3.69Å; C57-I194 HydrophobicContact CB-CD1 3.63Å; C57-I194 HydrophobicContact CB-CG1 3.62Å; M61-I194 HydrophobicContact CE-CD1 3.2Å; M61-I194 HydrophobicContact SD-CD1 4.1Å; L190-I194 PolarHBondContact O-N 3.34Å; E191-I194 PolarHBondContact O-N 3.02Å; I194-H196 VanDerWaalsContact C-N 3.27Å; I194-H196 PolarHBondContact O-N 2.91Å; I194-I199 VanDerWaalsContact O-CG2 3.3Å; I194-I199 WeakPolarHBondContact O-CG2 3.28Å; I194-Q200 PolarHBondContact O-NE2 3.41Å
195S98.1Very high97.5Very high82 Ų8249.8 Ų49.857%0.57328%0.275SS*.THydrogen-bonded Turntrans-79.8-6.6-179.3-53.60000113.6E191 G192 I193E191-S195 VanDerWaalsContact O-CB 3.29Å; E191-S195 WeakPolarHBondContact O-CB 3.29Å; E191-S195 PolarHBondContact O-N 3.24Å; E191-S195 PolarHBondContact O-OG 3.46Å; G192-S195 PolarHBondContact O-N 3.38Å; I193-S195 PolarHBondContact O-N 3.29Å
196H98.6Very high96.6Very high9 Ų949.7 Ų49.74%0.04228%0.275CS..SBendtrans-63.9140.4-176.2-165.3-93.3000111.6D174 M175 G192 I193 I194 W198 I199 Q200D174-H196 IonicContact OD2-CE1 2.74Å; D174-H196 PolarHBondContact OD2-CE1 2.49Å; D174-H196 IonicContact OD2-NE2 3.79Å; D174-H196 PolarHBondContact OD2-NE2 2.68Å; M175-H196 VanDerWaalsContact CB-CE1 3.44Å; M175-H196 WeakPolarHBondContact CB-CE1 3.35Å; M175-H196 WeakPolarHBondContact CB-ND1 3.43Å; M175-H196 HydrophobicContact CG-CB 4.1Å; M175-H196 HydrophobicContact SD-CB 4.13Å; G192-H196 PolarHBondContact O-N 3.36Å; I193-H196 WeakPolarHBondContact O-CB 3.42Å; I193-H196 PolarHBondContact O-N 3.44Å; I194-H196 VanDerWaalsContact C-N 3.27Å; I194-H196 PolarHBondContact O-N 2.91Å; H196-W198 WeakPolarHBondContact ND1-CB 3.41Å; H196-W198 PolarHBondContact ND1-N 3.4Å; H196-W198 PolarHBondContact O-N 3.41Å; H196-I199 PolarHBondContact O-N 3.42Å; H196-Q200 WeakPolarHBondContact O-CG 3.39Å; H196-Q200 PolarHBondContact O-N 3.05Å
197P98.4Very high94.7Very high69 Ų6949.8 Ų49.845%0.44828%0.283SS..Hα-helixtrans-50.3-36.8179.7-30.836000114.2M171 Q200 N201M171-P197 HydrophobicContact SD-CB 4.32Å; P197-Q200 PolarHBondContact O-N 3.07Å; P197-N201 WeakPolarHBondContact O-CB 3.24Å; P197-N201 PolarHBondContact O-N 3.42Å; P197-N201 PolarHBondContact O-ND2 2.87Å
198W98.5Very high92.7Very high0 Ų052.8 Ų52.80%030%0.296CS..Hα-helixtrans-59.2-51.3176-16870.3000113E46 A50 I53 L139 M171 A172 M175 H196 Q200 N201 F202E46-W198 HydrophobicContact CB-CZ2 4.11Å; E46-W198 HydrophobicContact CG-CZ2 4.43Å; E46-W198 PolarHBondContact OE2-NE1 3.18Å; A50-W198 VanDerWaalsContact CA-CZ3 3.48Å; A50-W198 HydrophobicContact CB-CE3 4.03Å; A50-W198 HydrophobicContact CB-CH2 3.73Å; A50-W198 HydrophobicContact CB-CZ2 4.17Å; A50-W198 HydrophobicContact CB-CZ3 3.64Å; I53-W198 HydrophobicContact CG1-CZ3 4.48Å; L139-W198 HydrophobicContact CD1-CH2 4.29Å; L139-W198 HydrophobicContact CD1-CZ2 3.99Å; L139-W198 HydrophobicContact CD2-CH2 4.4Å; L139-W198 HydrophobicContact CD2-CZ2 3.95Å; L139-W198 HydrophobicContact CG-CZ2 4.49Å; M171-W198 HydrophobicContact CG-CB 3.85Å; M171-W198 HydrophobicContact CG-CG 4.33Å; M171-W198 HydrophobicContact SD-CB 4.23Å; A172-W198 HydrophobicContact CB-CD2 4.35Å; A172-W198 HydrophobicContact CB-CG 4.36Å; A172-W198 HydrophobicContact CB-CZ2 4.34Å; M175-W198 HydrophobicContact CB-CB 4.46Å; M175-W198 HydrophobicContact CE-CD2 4.1Å; M175-W198 HydrophobicContact CE-CE3 3.22Å; M175-W198 HydrophobicContact CE-CH2 4.47Å; M175-W198 HydrophobicContact CE-CZ3 3.44Å; M175-W198 VanDerWaalsContact CE-CZ3 3.44Å; M175-W198 HydrophobicContact SD-CB 4.24Å; M175-W198 HydrophobicContact SD-CD2 4.34Å; M175-W198 HydrophobicContact SD-CE3 3.55Å; M175-W198 VanDerWaalsContact SD-CE3 3.55Å; M175-W198 HydrophobicContact SD-CZ3 4.27Å; H196-W198 WeakPolarHBondContact ND1-CB 3.41Å; H196-W198 PolarHBondContact ND1-N 3.4Å; H196-W198 PolarHBondContact O-N 3.41Å; W198-Q200 VanDerWaalsContact C-N 3.32Å; W198-Q200 PolarHBondContact O-N 3.38Å; W198-N201 PolarHBondContact O-N 3.29Å; W198-F202 AromaticContact CD1-CD2 3.65Å; W198-F202 AromaticContact CD1-CE2 3.8Å; W198-F202 HydrophobicContact CG-CD2 4.28Å; W198-F202 AromaticContact NE1-CD2 3.59Å; W198-F202 AromaticContact NE1-CE2 3.83Å; W198-F202 WeakPolarHBondContact O-CD2 3.46Å; W198-F202 PolarHBondContact O-N 2.93Å; W198-F202 VanDerWaalsContact O-N 3.16Å
199I98.4Very high90.4Very high0 Ų058.6 Ų58.60%032%0.322CS..Hα-helixtrans-64.2-41.5176.2-65-63.1000110.4A50 I53 Y54 M175 I193 I194 H196 N201 F202 A203A50-I199 HydrophobicContact CB-CD1 4.11Å; A50-I199 WeakPolarHBondContact O-CD1 3.26Å; I53-I199 HydrophobicContact CB-CD1 3.87Å; I53-I199 HydrophobicContact CG2-CD1 3.69Å; Y54-I199 HydrophobicContact CD2-CG2 3.9Å; Y54-I199 HydrophobicContact CG-CG2 4.48Å; M175-I199 HydrophobicContact SD-CD1 4.16Å; M175-I199 HydrophobicContact SD-CG1 3.77Å; I193-I199 HydrophobicContact CG2-CG1 4.43Å; I193-I199 VanDerWaalsContact O-CG1 3.22Å; I193-I199 WeakPolarHBondContact O-CG1 3.43Å; I194-I199 VanDerWaalsContact O-CG2 3.3Å; I194-I199 WeakPolarHBondContact O-CG2 3.28Å; H196-I199 PolarHBondContact O-N 3.42Å; I199-N201 VanDerWaalsContact C-N 3.27Å; I199-N201 PolarHBondContact O-N 3.44Å; I199-F202 PolarHBondContact O-N 3.17Å; I199-A203 HydrophobicContact CG2-CB 3.88Å; I199-A203 WeakPolarHBondContact O-CB 3.46Å; I199-A203 PolarHBondContact O-N 2.91Å
200Q97.9Very high87.4Confident84 Ų8460.9 Ų60.939%0.39334%0.338SS..Hα-helixtrans-62-36-177.9-66.9-60.7-48.600112.8I194 H196 P197 W198 K205I194-Q200 PolarHBondContact O-NE2 3.41Å; H196-Q200 WeakPolarHBondContact O-CG 3.39Å; H196-Q200 PolarHBondContact O-N 3.05Å; P197-Q200 PolarHBondContact O-N 3.07Å; W198-Q200 VanDerWaalsContact C-N 3.32Å; W198-Q200 PolarHBondContact O-N 3.38Å; Q200-K205 VanDerWaalsContact CD-NZ 3.28Å; Q200-K205 PolarHBondContact O-NZ 2.72Å
201N97.5Very high84.8Confident106 Ų10666.3 Ų66.357%0.56737%0.366SS*.Hα-helixtrans-82.2-34.5-178.1-70.9-11.2000113.8M171 P197 W198 I199M171-N201 WeakPolarHBondContact CE-ND2 3.46Å; M171-N201 PolarHBondContact SD-ND2 3.17Å; M171-N201 VanDerWaalsContact SD-ND2 3.39Å; P197-N201 WeakPolarHBondContact O-CB 3.24Å; P197-N201 PolarHBondContact O-N 3.42Å; P197-N201 PolarHBondContact O-ND2 2.87Å; W198-N201 PolarHBondContact O-N 3.29Å; I199-N201 VanDerWaalsContact C-N 3.27Å; I199-N201 PolarHBondContact O-N 3.44Å
202F97.7Very high82.1Confident77 Ų7766.8 Ų66.834%0.33838%0.376SS..Hα-helixtrans-111.3-25.3-167.9-70.4-71000115.1E46 A47 A50 M171 W198 I199E46-F202 HydrophobicContact CB-CD1 3.95Å; E46-F202 HydrophobicContact CB-CD2 4.39Å; E46-F202 HydrophobicContact CB-CE1 4.14Å; E46-F202 HydrophobicContact CB-CG 4.08Å; E46-F202 HydrophobicContact CB-CZ 4.46Å; E46-F202 WeakPolarHBondContact OE2-CE2 3.48Å; E46-F202 VanDerWaalsContact OE2-CZ 3.29Å; E46-F202 WeakPolarHBondContact OE2-CZ 3.2Å; A47-F202 WeakPolarHBondContact CA-O 3.49Å; A50-F202 HydrophobicContact CB-CB 3.52Å; M171-F202 HydrophobicContact SD-CE2 4.33Å; W198-F202 AromaticContact CD1-CD2 3.65Å; W198-F202 AromaticContact CD1-CE2 3.8Å; W198-F202 HydrophobicContact CG-CD2 4.28Å; W198-F202 AromaticContact NE1-CD2 3.59Å; W198-F202 AromaticContact NE1-CE2 3.83Å; W198-F202 WeakPolarHBondContact O-CD2 3.46Å; W198-F202 PolarHBondContact O-N 2.93Å; W198-F202 VanDerWaalsContact O-N 3.16Å; I199-F202 PolarHBondContact O-N 3.17Å
203A97.2Very high78.9Confident13 Ų1375 Ų7511%0.10741%0.406CS..  trans-77.4133.4-174.800000112.3A50 Y54 I199 K205A50-A203 HydrophobicContact CB-CB 4.06Å; Y54-A203 HydrophobicContact CG-CB 4.46Å; I199-A203 HydrophobicContact CG2-CB 3.88Å; I199-A203 WeakPolarHBondContact O-CB 3.46Å; I199-A203 PolarHBondContact O-N 2.91Å; A203-K205 HydrophobicContact CB-CG 4.45Å; A203-K205 PolarHBondContact O-N 3.39Å
204N94.2Very high76Confident93 Ų9380.4 Ų80.450%0.49744%0.442SS..  trans-81110165.3-173.7-13.7000109.6T51 T206T51-N204 HydrophobicContact CG2-CB 4.35Å; T51-N204 PolarHBondContact OG1-N 3.01Å; N204-T206 WeakPolarHBondContact OD1-CB 3.47Å; N204-T206 PolarHBondContact OD1-N 3.34Å; N204-T206 VanDerWaalsContact OD1-N 3.09Å; N204-T206 PolarHBondContact OD1-OG1 3.22Å
205K88.7Confident73.1Confident71 Ų7190.7 Ų90.731%0.30948%0.479SS..  trans-94.76.9-174.5-55.6171.7-162148.80113.5Y54 Q200 A203 S207Y54-K205 HydrophobicContact CD2-CG 4.23Å; Y54-K205 HydrophobicContact CE1-CB 4.37Å; Y54-K205 HydrophobicContact CE1-CG 4.38Å; Y54-K205 HydrophobicContact CE2-CD 4.17Å; Y54-K205 HydrophobicContact CE2-CG 3.94Å; Q200-K205 VanDerWaalsContact CD-NZ 3.28Å; Q200-K205 PolarHBondContact O-NZ 2.72Å; A203-K205 HydrophobicContact CB-CG 4.45Å; A203-K205 PolarHBondContact O-N 3.39Å; K205-S207 PolarHBondContact O-N 3.42Å
206T77.8Confident70.6Confident97 Ų9792.6 Ų92.660%0.59549%0.489SS*.  trans-67.1120.1-174.9-47.90000110.4N204 F208N204-T206 WeakPolarHBondContact OD1-CB 3.47Å; N204-T206 PolarHBondContact OD1-N 3.34Å; N204-T206 VanDerWaalsContact OD1-N 3.09Å; N204-T206 PolarHBondContact OD1-OG1 3.22Å; T206-F208 PolarHBondContact O-N 3.02Å
207S59.2Low68.5Low93 Ų93104.1 Ų104.165%0.6553%0.532SS*.  trans-70.7122.8178.1-460000110.9K205 H209K205-S207 PolarHBondContact O-N 3.42Å; S207-H209 PolarHBondContact O-N 3.41Å
208F56.9Low66.8Low74 Ų74109.8 Ų109.833%0.32557%0.573SS.*G310 helixtrans-68.10.9-179.2-70.5-80.5000115H83 E85 T206 S210H83-F208 HydrophobicContact CB-CD1 4.01Å; H83-F208 HydrophobicContact CB-CE1 3.55Å; H83-F208 HydrophobicContact CB-CZ 4.04Å; E85-F208 HydrophobicContact CB-CD2 4.25Å; E85-F208 HydrophobicContact CB-CE2 3.97Å; T206-F208 PolarHBondContact O-N 3.02Å; F208-S210 PolarHBondContact O-N 3.15Å
209H48.5Very low65.2Low162 Ų162115.3 Ų115.375%0.7560%0.602SS**G310 helixtrans-72-5.9-178-94.418.1000115.6S207S207-H209 PolarHBondContact O-N 3.41Å
210S35.5Very low63.4Low96 Ų96121.3 Ų121.367%0.67163%0.634SS**G310 helixtrans-90-7.417851.40000115F208F208-S210 PolarHBondContact O-N 3.15Å
211I43.7Very low61.5Low116 Ų116123.4 Ų123.460%0.59565%0.647SS**SBendtrans-99.9-17.4-171.3-55.7178.1000113
212V41.8Very low59.4Low119 Ų119124.4 Ų124.472%0.72165%0.652SS**  trans-112.465.5-178.3-165.20000110.9
213K31Very low57Low190 Ų190127.4 Ų127.483%0.82667%0.671SS**  trans-94115.8154.3-76.9-165.6178.3-176.10107.8R215K213-R215 PolarHBondContact O-N 3.26Å
214P38.5Very low54.3Low115 Ų115135 Ų13575%0.74771%0.709SS**PPolyproline II helixtrans-61.2130.417025.3-29.3000107.9
215R38Very low51.5Low239 Ų239138 Ų13890%0.90272%0.724SS**PPolyproline II helixtrans-53.8133.8169.8-77.1-175.5178.7-167.4-0.1108K213 R217K213-R215 PolarHBondContact O-N 3.26Å; R215-R217 PolarHBondContact O-N 3.49Å
216P45.2Very low48.6Very low121 Ų121143.2 Ų143.279%0.78676%0.756SS**PPolyproline II helixtrans-59.7133.5170.525.2-30000107.9S218P216-S218 PolarHBondContact O-N 2.96Å; P216-S218 VanDerWaalsContact O-N 3.1Å
217R54.2Low46.2Very low251 Ų251147 Ų14795%0.94777%0.77SS**  trans-66.4107.7167.6-68.9-176.5179.4-171.6-0.5106.8R215R215-R217 PolarHBondContact O-N 3.49Å
218S61.4Low45Very low188 Ų188151.9 Ų151.9100%1.31578%0.78SS**  trans-82.10155.458.80000109.2P216P216-S218 PolarHBondContact O-N 2.96Å; P216-S218 VanDerWaalsContact O-N 3.1Å

Retrieved 218 of 218 residues in 414.6 ms (Link to these results)

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