A0A096N8Q4_PAPAN Loading...

Haloacid dehalogenase-like hydrolase domain-containing protein 3

AlphaFold DB , UniProt , Accession A0A096N8Q4, Species PAPAN (Papio anubis, Olive baboon), Gene HDHD3, Length 251 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
1M41.8Very low81.1Confident233 Ų23390.7 Ų90.7100%1.14844%0.439SS*.  0118.50-68.6-179.2178.600106.2H3M1-H3 PolarHBondContact O-N 3.18Å
2A49Very low82.6Confident101 Ų10183.2 Ų83.284%0.83540%0.402SS*.  trans-66.3115.6175.300000107.5R4A2-R4 PolarHBondContact O-N 3Å
3H57.3Low83.8Confident178 Ų17877.8 Ų77.882%0.82438%0.377SS*.PPolyproline II helixtrans-66118.1172.5-83.7-77.2000107.7M1M1-H3 PolarHBondContact O-N 3.18Å
4R75.1Confident84.8Confident173 Ų17372.4 Ų72.465%0.65335%0.35SS*.PPolyproline II helixtrans-62.6134.6170.5-163.2175.9-171.5175.96.8107.6A2 Q6 E245A2-R4 PolarHBondContact O-N 3Å; R4-Q6 PolarHBondContact O-N 2.69Å; R4-E245 WeakPolarHBondContact CG-O 3.35Å; R4-E245 PolarHBondContact NE-O 3.28Å
5L84.1Confident85.4Confident41 Ų4174.3 Ų74.322%0.21536%0.356CS..PPolyproline II helixtrans-55.6129.4173.8177.164.1000108.5V185 L244 E245L5-V185 HydrophobicContact CD1-CG2 4.26Å; L5-V185 VanDerWaalsContact CD1-O 3.3Å; L5-V185 WeakPolarHBondContact CD1-O 3.3Å; L5-L244 HydrophobicContact CD2-CD1 3.78Å; L5-L244 HydrophobicContact CD2-CD2 4.24Å; L5-L244 HydrophobicContact CD2-CG 3.71Å; L5-E245 WeakPolarHBondContact O-CG 3.45Å
6Q93Very high85.9Confident127 Ų12774.4 Ų74.459%0.59336%0.359SS*.  trans-139.5119.4176.5-171177.210.300108.4R4 E245R4-Q6 PolarHBondContact O-N 2.69Å; Q6-E245 WeakPolarHBondContact CA-OE1 3.41Å
7I97.6Very high86.5Confident4 Ų470.1 Ų70.12%0.02134%0.339CS..  trans-73.3135.6176.5-61.1-59.7000108.2L9 L10 L129 A188 L241 L244 E245I7-L9 WeakPolarHBondContact CG2-O 3.47Å; I7-L10 HydrophobicContact CG2-CD2 3.85Å; I7-L129 HydrophobicContact CB-CD2 4.41Å; I7-L129 HydrophobicContact CG2-CD2 4.09Å; I7-L129 WeakPolarHBondContact O-CD2 3.27Å; I7-A188 HydrophobicContact CD1-CB 4.48Å; I7-A188 HydrophobicContact CG2-CB 4.36Å; I7-L241 HydrophobicContact CB-CD2 4.41Å; I7-L241 HydrophobicContact CG1-CD2 4.01Å; I7-L241 HydrophobicContact CG2-CD2 4.49Å; I7-L244 HydrophobicContact CD1-CD2 4.07Å; I7-L244 HydrophobicContact CG1-CD2 4.06Å; I7-E245 PolarHBondContact N-OE1 2.96Å
8R98.2Very high87.1Confident139 Ų13966.2 Ų66.253%0.52532%0.32SS..  trans-119.1-23.5-178-62.5-177.766.4-158-1.6112.5R130 M182 V186R8-R130 PolarHBondContact O-N 3.36Å; R8-M182 HydrophobicContact CB-CE 4.19Å; R8-M182 HydrophobicContact CB-SD 4.1Å; R8-V186 HydrophobicContact CB-CB 4.39Å; R8-V186 HydrophobicContact CB-CG2 4.48Å; R8-V186 HydrophobicContact CG-CB 4.25Å; R8-V186 PolarHBondContact N-O 2.91Å
9L98.8Very high87.7Confident1 Ų162.7 Ų62.71%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-131.7129.3-179.8176.467.5000110.1I7 T11 R130 A132 A180 M182 V186 T187 A188I7-L9 WeakPolarHBondContact CG2-O 3.47Å; L9-T11 HydrophobicContact CD1-CG2 4.43Å; L9-T11 HydrophobicContact CD2-CG2 3.97Å; L9-T11 HydrophobicContact CG-CG2 4.01Å; L9-R130 WeakPolarHBondContact CA-O 3.24Å; L9-R130 HydrophobicContact CD1-CB 3.96Å; L9-R130 WeakPolarHBondContact CD1-O 3.22Å; L9-A132 HydrophobicContact CD1-CB 4.34Å; L9-A180 HydrophobicContact CD1-CB 4.39Å; L9-A180 HydrophobicContact CD2-CB 3.43Å; L9-A180 VanDerWaalsContact CD2-CB 3.43Å; L9-M182 HydrophobicContact CB-CG 4.13Å; L9-M182 HydrophobicContact CD2-CB 4.16Å; L9-M182 HydrophobicContact CD2-CG 4.12Å; L9-V186 PolarHBondContact N-O 3.38Å; L9-T187 HydrophobicContact CB-CG2 4.03Å; L9-T187 HydrophobicContact CD2-CG2 3.63Å; L9-T187 HydrophobicContact CG-CG2 3.85Å; L9-T187 WeakPolarHBondContact O-CA 3.49Å; L9-A188 PolarHBondContact O-N 3.12Å
10L98.9Very high88.1Confident0 Ų063.7 Ų63.70%031%0.306CS..EExtended strand (participates in β ladder)trans-108.2127163.2-63.4179.6000109.6I7 W12 C124 L129 R130 L131 A132 A188 L237 L241I7-L10 HydrophobicContact CG2-CD2 3.85Å; L10-W12 HydrophobicContact CD1-CZ2 4.02Å; L10-C124 HydrophobicContact CD1-CB 4.13Å; L10-L129 HydrophobicContact CD1-CD1 3.72Å; L10-L129 HydrophobicContact CG-CD1 4.1Å; L10-R130 PolarHBondContact N-O 3.43Å; L10-L131 HydrophobicContact CB-CD2 3.84Å; L10-L131 HydrophobicContact CD1-CD2 4.18Å; L10-L131 HydrophobicContact CG-CD2 4.37Å; L10-L131 CarbonylContact O-C 3.49Å; L10-L131 VanDerWaalsContact O-CA 3.3Å; L10-L131 WeakPolarHBondContact O-CA 3.35Å; L10-A132 PolarHBondContact O-N 3.16Å; L10-A188 CarbonylContact C-O 3.54Å; L10-A188 WeakPolarHBondContact CA-O 3.2Å; L10-A188 HydrophobicContact CD2-CB 3.75Å; L10-L237 HydrophobicContact CD1-CD2 4.14Å; L10-L241 HydrophobicContact CD1-CD1 4.08Å; L10-L241 HydrophobicContact CD2-CD1 4.15Å; L10-L241 HydrophobicContact CD2-CD2 4.24Å
11T98.9Very high88.5Confident1 Ų162.6 Ų62.61%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-106.2143.6171.957.90000109.3L9 A132 I134 T187 A188 H189 V190 M206L9-T11 HydrophobicContact CD1-CG2 4.43Å; L9-T11 HydrophobicContact CD2-CG2 3.97Å; L9-T11 HydrophobicContact CG-CG2 4.01Å; T11-A132 CarbonylContact C-O 3.52Å; T11-A132 VanDerWaalsContact CA-O 3.23Å; T11-A132 WeakPolarHBondContact CA-O 3.33Å; T11-A132 HydrophobicContact CG2-CB 4.42Å; T11-I134 HydrophobicContact CG2-CD1 3.79Å; T11-I134 HydrophobicContact CG2-CG1 4.23Å; T11-T187 HydrophobicContact CG2-CG2 4.23Å; T11-A188 PolarHBondContact N-O 2.93Å; T11-A188 PolarHBondContact OG1-O 2.92Å; T11-H189 CarbonylContact O-C 3.48Å; T11-H189 VanDerWaalsContact O-CA 3.28Å; T11-H189 WeakPolarHBondContact O-CA 3.48Å; T11-H189 PolarHBondContact O-ND1 2.8Å; T11-H189 WeakPolarHBondContact OG1-CA 3.41Å; T11-H189 WeakPolarHBondContact OG1-CB 3.34Å; T11-H189 PolarHBondContact OG1-ND1 3.35Å; T11-V190 PolarHBondContact O-N 3.36Å; T11-M206 HydrophobicContact CG2-CE 4.43Å; T11-M206 WeakPolarHBondContact OG1-CE 3.47Å
12W98.9Very high91Very high0 Ų056.9 Ų56.90%027%0.267CS..EExtended strand (participates in β ladder)trans-128.3135.3-168.9-64.579.2000111.2L10 T17 L18 T120 L121 A132 V133 I134 F154 V190 L234 L237L10-W12 HydrophobicContact CD1-CZ2 4.02Å; W12-T17 HydrophobicContact CE3-CG2 4.22Å; W12-L18 HydrophobicContact CB-CD1 4.25Å; W12-L18 HydrophobicContact CE3-CD1 4.42Å; W12-L18 HydrophobicContact CE3-CD2 3.76Å; W12-L18 HydrophobicContact CE3-CG 4.23Å; W12-L18 HydrophobicContact CZ3-CD2 3.88Å; W12-T120 HydrophobicContact CH2-CG2 4.02Å; W12-L121 HydrophobicContact CD2-CD2 4.05Å; W12-L121 HydrophobicContact CE3-CD2 4.42Å; W12-L121 HydrophobicContact CH2-CD2 4.13Å; W12-L121 HydrophobicContact CZ2-CD2 3.78Å; W12-L121 HydrophobicContact CZ3-CD2 4.44Å; W12-A132 PolarHBondContact N-O 3Å; W12-V133 CarbonylContact O-C 3.54Å; W12-V133 WeakPolarHBondContact O-CA 3.28Å; W12-I134 PolarHBondContact O-N 2.75Å; W12-F154 HydrophobicContact CB-CE1 4.3Å; W12-F154 AromaticContact CD1-CE1 3.8Å; W12-F154 HydrophobicContact CG-CE1 4.07Å; W12-V190 WeakPolarHBondContact CA-O 3.29Å; W12-V190 HydrophobicContact CD2-CB 4.28Å; W12-V190 HydrophobicContact CE3-CB 3.96Å; W12-V190 HydrophobicContact CE3-CG1 4.07Å; W12-V190 HydrophobicContact CZ3-CB 4.23Å; W12-V190 HydrophobicContact CZ3-CG1 3.95Å; W12-L234 HydrophobicContact CH2-CD2 4.38Å; W12-L234 HydrophobicContact CZ3-CD1 4.12Å; W12-L234 HydrophobicContact CZ3-CD2 3.71Å; W12-L237 HydrophobicContact CH2-CD2 3.26Å; W12-L237 HydrophobicContact CZ2-CD2 3.58Å; W12-L237 HydrophobicContact CZ3-CD2 4.2Å
13D98.6Very high93.3Very high14 Ų1456.3 Ų56.38%0.07525%0.247CC..  trans-74167.7150.5-153.5-4.6000110.1S135 K167 V190D13-S135 VanDerWaalsContact OD1-CB 3.31Å; D13-S135 WeakPolarHBondContact OD1-CB 3.3Å; D13-S135 PolarHBondContact OD1-OG 2.88Å; D13-K167 IonicContact OD1-NZ 3.64Å; D13-K167 PolarHBondContact OD1-NZ 3.27Å; D13-K167 IonicContact OD2-NZ 3.9Å; D13-K167 PolarHBondContact OD2-NZ 3.32Å; D13-V190 PolarHBondContact N-O 2.67Å
14V97.5Very high95.1Very high1 Ų151.2 Ų51.21%0.00623%0.229CC..  trans-116.7-54.3-174.9-176.50000111.7D16 T17 L18 L19 V133 L141 L145V14-D16 PolarHBondContact O-N 3.47Å; V14-T17 PolarHBondContact O-N 2.94Å; V14-L18 HydrophobicContact CG1-CB 4.41Å; V14-L18 PolarHBondContact O-N 3.49Å; V14-L19 HydrophobicContact CG1-CB 4.05Å; V14-L19 HydrophobicContact CG1-CD1 3.46Å; V14-L19 VanDerWaalsContact CG1-CD1 3.46Å; V14-L19 HydrophobicContact CG1-CG 3.56Å; V14-L19 PolarHBondContact O-N 3.31Å; V14-V133 HydrophobicContact CG2-CB 4.48Å; V14-V133 HydrophobicContact CG2-CG1 3.53Å; V14-V133 HydrophobicContact CG2-CG2 4.08Å; V14-L141 HydrophobicContact CB-CD1 4.18Å; V14-L141 HydrophobicContact CG1-CD1 4Å; V14-L141 HydrophobicContact CG2-CD1 4.15Å; V14-L141 HydrophobicContact CG2-CD2 4.05Å; V14-L145 HydrophobicContact CG1-CD2 4.06Å
15K93.6Very high96.2Very high101 Ų10143.7 Ų43.744%0.43920%0.202SC..BIsolated β-bridgetrans-67.7134.4-177.4-172.3-177.2172.1-172.80109.6T17 L19K15-T17 PolarHBondContact O-N 3.11Å; K15-T17 PolarHBondContact O-OG1 3.31Å; K15-L19 CarbonylContact C-O 3.58Å
16D93.1Very high96.8Very high76 Ų7641.8 Ų41.841%0.40619%0.193SC..THydrogen-bonded Turntrans56.49.1-178.6-60-43.6000114.8V14 L19 D192V14-D16 PolarHBondContact O-N 3.47Å; D16-L19 PolarHBondContact N-O 3.25Å; D16-D192 HydrophobicContact CB-CB 4.49Å
17T96.3Very high97Very high1 Ų140.3 Ų40.31%0.00619%0.185CC..THydrogen-bonded Turntrans-115.2-49.5174.1-580000111.5W12 V14 K15 V190 G191 D192 V211 L234W12-T17 HydrophobicContact CE3-CG2 4.22Å; V14-T17 PolarHBondContact O-N 2.94Å; K15-T17 PolarHBondContact O-N 3.11Å; K15-T17 PolarHBondContact O-OG1 3.31Å; T17-V190 HydrophobicContact CG2-CG1 4.36Å; T17-G191 WeakPolarHBondContact OG1-CA 3.37Å; T17-D192 PolarHBondContact OG1-N 3.22Å; T17-V211 HydrophobicContact CG2-CG2 4.36Å; T17-L234 HydrophobicContact CG2-CD2 4.43Å; T17-L234 WeakPolarHBondContact O-CD1 3.36Å
18L97.8Very high97Very high0 Ų041.9 Ų41.90%019%0.193CC..THydrogen-bonded Turntrans-114.4-35.4177.3-62.5176.7000111.8W12 V14 L114 A117 L121 F154 L234W12-L18 HydrophobicContact CB-CD1 4.25Å; W12-L18 HydrophobicContact CE3-CD1 4.42Å; W12-L18 HydrophobicContact CE3-CD2 3.76Å; W12-L18 HydrophobicContact CE3-CG 4.23Å; W12-L18 HydrophobicContact CZ3-CD2 3.88Å; V14-L18 HydrophobicContact CG1-CB 4.41Å; V14-L18 PolarHBondContact O-N 3.49Å; L18-L114 PolarHBondContact O-N 3.26Å; L18-A117 HydrophobicContact CD2-CB 3.95Å; L18-L121 HydrophobicContact CD1-CD1 4.48Å; L18-L121 HydrophobicContact CD2-CD1 4.26Å; L18-L121 HydrophobicContact CD2-CD2 4.32Å; L18-L121 HydrophobicContact CD2-CG 4.38Å; L18-F154 HydrophobicContact CD1-CE2 4.48Å; L18-F154 HydrophobicContact CD1-CZ 3.73Å; L18-L234 HydrophobicContact CD2-CD1 3.96Å
19L97.4Very high97Very high1 Ų135.6 Ų35.61%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-129.5149.5-174.6-55-176.3000111.1V14 K15 D16 W111 Q112 V113 I144 L145 L148 L150V14-L19 HydrophobicContact CG1-CB 4.05Å; V14-L19 HydrophobicContact CG1-CD1 3.46Å; V14-L19 VanDerWaalsContact CG1-CD1 3.46Å; V14-L19 HydrophobicContact CG1-CG 3.56Å; V14-L19 PolarHBondContact O-N 3.31Å; K15-L19 CarbonylContact C-O 3.58Å; D16-L19 PolarHBondContact N-O 3.25Å; L19-W111 HydrophobicContact CB-CE3 4.18Å; L19-Q112 CarbonylContact C-O 3.56Å; L19-Q112 VanDerWaalsContact CA-O 3.31Å; L19-Q112 WeakPolarHBondContact CA-O 3.42Å; L19-V113 HydrophobicContact CD2-CB 4.22Å; L19-V113 HydrophobicContact CD2-CG2 3.76Å; L19-I144 HydrophobicContact CD1-CG2 3.97Å; L19-L145 HydrophobicContact CD1-CD2 4.17Å; L19-L148 HydrophobicContact CD1-CD1 3.58Å; L19-L148 HydrophobicContact CD2-CD1 3.57Å; L19-L148 HydrophobicContact CG-CD1 4.25Å; L19-L150 HydrophobicContact CD2-CD1 3.67Å
20K96.1Very high97Very high82 Ų8235.7 Ų35.736%0.35717%0.17SC..EExtended strand (participates in β ladder)trans-131.8167.116464.6178.1176.9-173.70110.7W111 Q112 L114K20-W111 WeakPolarHBondContact O-CA 3.28Å; K20-Q112 HydrophobicContact CG-CB 4.17Å; K20-Q112 PolarHBondContact N-O 3.14Å; K20-Q112 PolarHBondContact O-N 3.14Å; K20-L114 HydrophobicContact CB-CD2 4.05Å; K20-L114 HydrophobicContact CD-CD2 3.56Å; K20-L114 HydrophobicContact CG-CD2 3.63Å
21L96Very high97Very high40 Ų4039.7 Ų39.721%0.20920%0.195CC..EExtended strand (participates in β ladder)trans-65.7139168-66.4176.2000109.8H23 L25 F105 T110 W111L21-H23 VanDerWaalsContact C-N 3.34Å; L21-H23 WeakPolarHBondContact CB-O 3.1Å; L21-L25 HydrophobicContact CD1-CB 4.32Å; L21-F105 HydrophobicContact CD1-CE1 4.16Å; L21-F105 HydrophobicContact CD2-CD1 4.14Å; L21-F105 HydrophobicContact CD2-CE1 3.69Å; L21-T110 HydrophobicContact CD2-CG2 4.08Å; L21-W111 HydrophobicContact CD2-CD2 4.38Å; L21-W111 HydrophobicContact CD2-CE3 4.12Å; L21-W111 HydrophobicContact CD2-CH2 3.91Å; L21-W111 HydrophobicContact CD2-CZ2 4.16Å; L21-W111 HydrophobicContact CD2-CZ3 3.89Å; L21-W111 HydrophobicContact CG-CZ3 4.42Å
22R95.7Very high96.9Very high114 Ų11441.6 Ų41.643%0.4320%0.203SC..SBendtrans-67.5-37.8178.4-175.6175.7-61.2-77.1-7.3112C109 T110 W111R22-C109 WeakPolarHBondContact CD-O 3.44Å; R22-C109 PolarHBondContact NE-O 3.28Å; R22-T110 PolarHBondContact N-O 3.26Å; R22-W111 PolarHBondContact NH2-O 3.35Å
23H95.9Very high96.9Very high89 Ų8941.6 Ų41.641%0.41220%0.203SC..SBendtrans-125.1154.2176-59.5-71.7000110.1L21 E28L21-H23 VanDerWaalsContact C-N 3.34Å; L21-H23 WeakPolarHBondContact CB-O 3.1Å; H23-E28 HydrophobicContact CB-CG 3.95Å; H23-E28 WeakPolarHBondContact CB-OE1 3.49Å; H23-E28 IonicContact CD2-OE1 3.31Å; H23-E28 PolarHBondContact CD2-OE1 3.41Å; H23-E28 VanDerWaalsContact CD2-OE1 3.31Å; H23-E28 IonicContact CG-OE1 3.76Å
24P96.6Very high96.9Very high70 Ų7046.7 Ų46.746%0.45522%0.221SC..  trans-54.4144.2171.8-24.234.3000111.9G26 E27 E28P24-G26 VanDerWaalsContact C-N 3.34Å; P24-G26 PolarHBondContact O-N 3.43Å; P24-E27 HydrophobicContact CB-CG 4.26Å; P24-E27 HydrophobicContact CG-CG 4.37Å; P24-E27 PolarHBondContact O-N 2.66Å; P24-E28 PolarHBondContact O-N 3.23Å; P24-E28 VanDerWaalsContact O-N 3.13Å
25L96.8Very high96.9Very high16 Ų1650.5 Ų50.58%0.08425%0.253CS..Hα-helixtrans-58.9-44.7-175.2-178.4148.7000112L21 E27 E28 Y29 F49L21-L25 HydrophobicContact CD1-CB 4.32Å; L25-E27 VanDerWaalsContact C-N 3.26Å; L25-E27 PolarHBondContact O-N 3Å; L25-E28 PolarHBondContact O-N 3.1Å; L25-Y29 HydrophobicContact CD1-CE1 4.16Å; L25-Y29 HydrophobicContact CD2-CD1 3.89Å; L25-Y29 HydrophobicContact CD2-CD2 4.17Å; L25-Y29 HydrophobicContact CD2-CE1 3.78Å; L25-Y29 HydrophobicContact CD2-CE2 4.05Å; L25-Y29 HydrophobicContact CD2-CG 4.09Å; L25-Y29 HydrophobicContact CG-CD1 3.95Å; L25-Y29 HydrophobicContact CG-CE1 3.66Å; L25-Y29 VanDerWaalsContact O-CD1 3.26Å; L25-Y29 WeakPolarHBondContact O-CD1 3.42Å; L25-Y29 PolarHBondContact O-N 2.98Å; L25-F49 HydrophobicContact CD1-CD1 3.75Å; L25-F49 HydrophobicContact CD1-CD2 3.82Å; L25-F49 HydrophobicContact CD1-CE1 3.61Å; L25-F49 HydrophobicContact CD1-CE2 3.67Å; L25-F49 HydrophobicContact CD1-CG 3.85Å; L25-F49 HydrophobicContact CD1-CZ 3.57Å; L25-F49 HydrophobicContact CD2-CB 3.68Å; L25-F49 HydrophobicContact CD2-CD1 4.05Å; L25-F49 HydrophobicContact CD2-CD2 3.87Å; L25-F49 HydrophobicContact CD2-CG 3.58Å; L25-F49 HydrophobicContact CG-CG 4.4Å
26G97.8Very high97Very high1 Ų149 Ų491%0.0125%0.247CC..Hα-helixtrans-56.9-36.817600000113.6P24 A30 P42 E46P24-G26 VanDerWaalsContact C-N 3.34Å; P24-G26 PolarHBondContact O-N 3.43Å; G26-A30 VanDerWaalsContact O-CB 3.23Å; G26-A30 WeakPolarHBondContact O-CB 3.39Å; G26-A30 PolarHBondContact O-N 2.99Å; G26-P42 WeakPolarHBondContact CA-O 3.34Å; G26-E46 PolarHBondContact N-OE2 2.74Å
27E97.8Very high97.2Very high95 Ų9548.5 Ų48.544%0.44426%0.26SS..Hα-helixtrans-72.3-41.4178.7-68.9-177.8-168.200112.1P24 L25 Y29 A30 T31 P42P24-E27 HydrophobicContact CB-CG 4.26Å; P24-E27 HydrophobicContact CG-CG 4.37Å; P24-E27 PolarHBondContact O-N 2.66Å; L25-E27 VanDerWaalsContact C-N 3.26Å; L25-E27 PolarHBondContact O-N 3Å; E27-Y29 VanDerWaalsContact C-N 3.34Å; E27-A30 PolarHBondContact O-N 3.35Å; E27-T31 VanDerWaalsContact O-CB 3.23Å; E27-T31 WeakPolarHBondContact O-CB 3.43Å; E27-T31 PolarHBondContact O-N 3.41Å; E27-T31 PolarHBondContact O-OG1 3.13Å; E27-P42 HydrophobicContact CG-CB 4.27Å
28E97.3Very high97.3Very high38 Ų3850.2 Ų50.218%0.17827%0.269CS..Hα-helixtrans-59.6-46.8174.1-71.1-73.2-175.600110.7H23 P24 L25 T31 K32H23-E28 HydrophobicContact CB-CG 3.95Å; H23-E28 WeakPolarHBondContact CB-OE1 3.49Å; H23-E28 IonicContact CD2-OE1 3.31Å; H23-E28 PolarHBondContact CD2-OE1 3.41Å; H23-E28 VanDerWaalsContact CD2-OE1 3.31Å; H23-E28 IonicContact CG-OE1 3.76Å; P24-E28 PolarHBondContact O-N 3.23Å; P24-E28 VanDerWaalsContact O-N 3.13Å; L25-E28 PolarHBondContact O-N 3.1Å; E28-T31 PolarHBondContact O-N 2.92Å; E28-K32 WeakPolarHBondContact O-CB 3.47Å; E28-K32 PolarHBondContact O-N 2.84Å
29Y98.4Very high97.3Very high7 Ų756.7 Ų56.73%0.02730%0.299CS..Hα-helixtrans-66.7-44.2-179.6-8040.1000111.1L25 E27 K32 A33 L45 F49 V79 T82 F83 L101 F105L25-Y29 HydrophobicContact CD1-CE1 4.16Å; L25-Y29 HydrophobicContact CD2-CD1 3.89Å; L25-Y29 HydrophobicContact CD2-CD2 4.17Å; L25-Y29 HydrophobicContact CD2-CE1 3.78Å; L25-Y29 HydrophobicContact CD2-CE2 4.05Å; L25-Y29 HydrophobicContact CD2-CG 4.09Å; L25-Y29 HydrophobicContact CG-CD1 3.95Å; L25-Y29 HydrophobicContact CG-CE1 3.66Å; L25-Y29 VanDerWaalsContact O-CD1 3.26Å; L25-Y29 WeakPolarHBondContact O-CD1 3.42Å; L25-Y29 PolarHBondContact O-N 2.98Å; E27-Y29 VanDerWaalsContact C-N 3.34Å; Y29-K32 PolarHBondContact O-N 2.82Å; Y29-A33 VanDerWaalsContact O-CB 3.28Å; Y29-A33 WeakPolarHBondContact O-CB 3.39Å; Y29-A33 PolarHBondContact O-N 2.88Å; Y29-L45 HydrophobicContact CD2-CD2 4.49Å; Y29-F49 HydrophobicContact CE2-CD2 4.36Å; Y29-V79 HydrophobicContact CE2-CG1 4.17Å; Y29-V79 HydrophobicContact CE2-CG2 4.03Å; Y29-T82 HydrophobicContact CD2-CG2 4.1Å; Y29-T82 HydrophobicContact CE2-CG2 4.12Å; Y29-F83 AromaticContact CD2-CE2 3.85Å; Y29-F83 HydrophobicContact CD2-CE2 3.85Å; Y29-L101 HydrophobicContact CD1-CD1 3.88Å; Y29-L101 HydrophobicContact CD1-CD2 3.87Å; Y29-L101 HydrophobicContact CD2-CD1 3.96Å; Y29-L101 HydrophobicContact CE1-CD1 4.01Å; Y29-L101 HydrophobicContact CE1-CD2 4.16Å; Y29-L101 HydrophobicContact CE2-CD1 4.1Å; Y29-L101 HydrophobicContact CG-CD1 3.85Å; Y29-L101 HydrophobicContact CG-CD2 4.48Å; Y29-F105 HydrophobicContact CD1-CE2 4.41Å; Y29-F105 HydrophobicContact CD1-CZ 4.49Å; Y29-F105 AromaticContact CE1-CE2 3.8Å; Y29-F105 HydrophobicContact CE1-CE2 3.8Å; Y29-F105 AromaticContact CE1-CZ 3.8Å; Y29-F105 HydrophobicContact CE1-CZ 3.8Å
30A98.3Very high97.3Very high2 Ų257.2 Ų57.22%0.01730%0.302CS..Hα-helixtrans-65.3-41178.500000111.8G26 E27 K32 A33 R34 V40 P42 L45G26-A30 VanDerWaalsContact O-CB 3.23Å; G26-A30 WeakPolarHBondContact O-CB 3.39Å; G26-A30 PolarHBondContact O-N 2.99Å; E27-A30 PolarHBondContact O-N 3.35Å; A30-K32 VanDerWaalsContact C-N 3.34Å; A30-A33 PolarHBondContact O-N 3.41Å; A30-R34 WeakPolarHBondContact O-CB 3.49Å; A30-R34 PolarHBondContact O-N 3.36Å; A30-V40 WeakPolarHBondContact CB-O 3.28Å; A30-P42 HydrophobicContact CB-CB 4.32Å; A30-P42 HydrophobicContact CB-CG 3.75Å; A30-L45 HydrophobicContact CB-CD1 3.81Å
31T97.8Very high97.4Very high85 Ų8559.8 Ų59.852%0.52132%0.316SS..Hα-helixtrans-62.8-43.7176.8-62.40000110.8E27 E28 A35E27-T31 VanDerWaalsContact O-CB 3.23Å; E27-T31 WeakPolarHBondContact O-CB 3.43Å; E27-T31 PolarHBondContact O-N 3.41Å; E27-T31 PolarHBondContact O-OG1 3.13Å; E28-T31 PolarHBondContact O-N 2.92Å; T31-A35 PolarHBondContact O-N 3.32Å
32K97.9Very high97.5Very high41 Ų4159.9 Ų59.918%0.17832%0.319CS..Hα-helixtrans-64.9-45.3174.9-171.862.459.5171.50111.8E28 Y29 A30 R34 A35 H36 I97 Q100 L101 D104E28-K32 WeakPolarHBondContact O-CB 3.47Å; E28-K32 PolarHBondContact O-N 2.84Å; Y29-K32 PolarHBondContact O-N 2.82Å; A30-K32 VanDerWaalsContact C-N 3.34Å; K32-R34 VanDerWaalsContact C-N 3.34Å; K32-R34 PolarHBondContact O-N 2.8Å; K32-A35 WeakPolarHBondContact O-CB 3.31Å; K32-A35 PolarHBondContact O-N 2.97Å; K32-H36 PolarHBondContact O-CD2 3.15Å; K32-H36 VanDerWaalsContact O-CD2 3.3Å; K32-H36 PolarHBondContact O-N 2.94Å; K32-I97 HydrophobicContact CB-CG2 4.42Å; K32-I97 HydrophobicContact CG-CG2 3.86Å; K32-Q100 HydrophobicContact CD-CB 4Å; K32-Q100 VanDerWaalsContact CD-OE1 3.32Å; K32-L101 HydrophobicContact CB-CD2 3.83Å; K32-L101 HydrophobicContact CB-CG 4.27Å; K32-L101 HydrophobicContact CG-CD2 4.06Å; K32-L101 HydrophobicContact CG-CG 4.04Å; K32-D104 WeakPolarHBondContact CE-OD2 3.27Å; K32-D104 IonicContact NZ-OD2 2.67Å; K32-D104 PolarHBondContact NZ-OD2 2.72Å
33A98Very high97.6Very high0 Ų057.8 Ų57.80%032%0.321CS..Hα-helixtrans-57.7-46178.500000112Y29 A30 A35 H36 G37 L38 F83 I97Y29-A33 VanDerWaalsContact O-CB 3.28Å; Y29-A33 WeakPolarHBondContact O-CB 3.39Å; Y29-A33 PolarHBondContact O-N 2.88Å; A30-A33 PolarHBondContact O-N 3.41Å; A33-A35 VanDerWaalsContact C-N 3.31Å; A33-A35 PolarHBondContact O-N 3.43Å; A33-H36 CarbonylContact O-C 3.05Å; A33-H36 WeakPolarHBondContact O-CA 3.37Å; A33-H36 PolarHBondContact O-N 3.27Å; A33-G37 PolarHBondContact O-N 3.2Å; A33-L38 CarbonylContact C-O 3.51Å; A33-L38 HydrophobicContact CB-CB 4.1Å; A33-L38 WeakPolarHBondContact CB-O 3.44Å; A33-L38 PolarHBondContact O-N 3.19Å; A33-F83 HydrophobicContact CB-CE1 3.66Å; A33-F83 HydrophobicContact CB-CZ 3.94Å; A33-I97 HydrophobicContact CB-CD1 4.46Å
34R98.1Very high97.8Very high120 Ų12055 Ų5545%0.45331%0.314SS..Hα-helixtrans-59.6-40.7178179.8174.8-55.6117.96.3112.4A30 K32 H36 G37 L38 E39A30-R34 WeakPolarHBondContact O-CB 3.49Å; A30-R34 PolarHBondContact O-N 3.36Å; K32-R34 VanDerWaalsContact C-N 3.34Å; K32-R34 PolarHBondContact O-N 2.8Å; R34-H36 PolarHBondContact O-N 2.91Å; R34-H36 VanDerWaalsContact O-N 3.17Å; R34-G37 PolarHBondContact O-N 3.43Å; R34-L38 WeakPolarHBondContact CA-O 3.3Å; R34-L38 PolarHBondContact N-O 3.49Å; R34-L38 VanDerWaalsContact N-O 3.08Å; R34-E39 WeakPolarHBondContact CD-OE1 3.45Å; R34-E39 VanDerWaalsContact CG-OE1 3.28Å; R34-E39 WeakPolarHBondContact CG-OE1 3.32Å; R34-E39 IonicContact CZ-OE2 3.51Å; R34-E39 IonicContact NE-OE1 3.09Å; R34-E39 PolarHBondContact NE-OE1 2.67Å; R34-E39 VanDerWaalsContact NE-OE1 3.09Å; R34-E39 IonicContact NE-OE2 3.02Å; R34-E39 PolarHBondContact NE-OE2 3.48Å; R34-E39 IonicContact NH2-OE2 3.09Å; R34-E39 PolarHBondContact NH2-OE2 2.79Å; R34-E39 VanDerWaalsContact NH2-OE2 3.09Å
35A97.4Very high97.9Very high82 Ų8251.6 Ų51.668%0.67829%0.292SS*.Hα-helixtrans-62.7-20.1176.300000113.1T31 K32 A33T31-A35 PolarHBondContact O-N 3.32Å; K32-A35 WeakPolarHBondContact O-CB 3.31Å; K32-A35 PolarHBondContact O-N 2.97Å; A33-A35 VanDerWaalsContact C-N 3.31Å; A33-A35 PolarHBondContact O-N 3.43Å
36H97.3Very high97.9Very high68 Ų6853.8 Ų53.832%0.31530%0.302SS..THydrogen-bonded Turntrans-103.112.1174.6-73.9-100.8000113.1K32 A33 R34 I97 Q100K32-H36 PolarHBondContact O-CD2 3.15Å; K32-H36 VanDerWaalsContact O-CD2 3.3Å; K32-H36 PolarHBondContact O-N 2.94Å; A33-H36 CarbonylContact O-C 3.05Å; A33-H36 WeakPolarHBondContact O-CA 3.37Å; A33-H36 PolarHBondContact O-N 3.27Å; R34-H36 PolarHBondContact O-N 2.91Å; R34-H36 VanDerWaalsContact O-N 3.17Å; H36-I97 HydrophobicContact CB-CD1 3.76Å; H36-I97 HydrophobicContact CB-CG1 3.64Å; H36-Q100 PolarHBondContact CE1-NE2 3.05Å; H36-Q100 VanDerWaalsContact NE2-CD 3.26Å; H36-Q100 PolarHBondContact NE2-NE2 3.37Å; H36-Q100 PolarHBondContact NE2-OE1 3.02Å
37G97.5Very high97.9Very high66 Ų6659.3 Ų59.368%0.6833%0.327SS*.THydrogen-bonded Turntrans81.313.3176.200000115.2A33 R34A33-G37 PolarHBondContact O-N 3.2Å; R34-G37 PolarHBondContact O-N 3.43Å
38L97.3Very high98Very high38 Ų3854.9 Ų54.920%0.19931%0.307CS..  trans-104.6118174.1-62.2-175.4000110.6A33 R34 V40 V88 A93 V94 I97A33-L38 CarbonylContact C-O 3.51Å; A33-L38 HydrophobicContact CB-CB 4.1Å; A33-L38 WeakPolarHBondContact CB-O 3.44Å; A33-L38 PolarHBondContact O-N 3.19Å; R34-L38 WeakPolarHBondContact CA-O 3.3Å; R34-L38 PolarHBondContact N-O 3.49Å; R34-L38 VanDerWaalsContact N-O 3.08Å; L38-V40 HydrophobicContact CB-CG2 4.43Å; L38-V88 HydrophobicContact CD1-CG1 3.94Å; L38-A93 HydrophobicContact CD1-CB 4.39Å; L38-V94 HydrophobicContact CD1-CG2 4.43Å; L38-I97 HydrophobicContact CD1-CD1 3.53Å; L38-I97 HydrophobicContact CG-CD1 4.23Å
39E97.5Very high98Very high135 Ų13554.5 Ų54.563%0.63131%0.305SS*.  trans-91.6114.4171-69-65.6165.400109.6R34R34-E39 WeakPolarHBondContact CD-OE1 3.45Å; R34-E39 VanDerWaalsContact CG-OE1 3.28Å; R34-E39 WeakPolarHBondContact CG-OE1 3.32Å; R34-E39 IonicContact CZ-OE2 3.51Å; R34-E39 IonicContact NE-OE1 3.09Å; R34-E39 PolarHBondContact NE-OE1 2.67Å; R34-E39 VanDerWaalsContact NE-OE1 3.09Å; R34-E39 IonicContact NE-OE2 3.02Å; R34-E39 PolarHBondContact NE-OE2 3.48Å; R34-E39 IonicContact NH2-OE2 3.09Å; R34-E39 PolarHBondContact NH2-OE2 2.79Å; R34-E39 VanDerWaalsContact NH2-OE2 3.09Å
40V98Very high98Very high12 Ų1261.4 Ų61.47%0.07333%0.331CS..  trans-137.2133.8178.7-168.40000108.4A30 L38 L45 F83 A86 V88A30-V40 WeakPolarHBondContact CB-O 3.28Å; L38-V40 HydrophobicContact CB-CG2 4.43Å; V40-L45 HydrophobicContact CB-CD1 3.99Å; V40-L45 HydrophobicContact CB-CG 4.3Å; V40-L45 HydrophobicContact CG1-CD1 3.95Å; V40-L45 HydrophobicContact CG1-CD2 3.99Å; V40-L45 HydrophobicContact CG1-CG 3.7Å; V40-F83 HydrophobicContact CG2-CD1 4.41Å; V40-F83 HydrophobicContact CG2-CE1 4.29Å; V40-A86 HydrophobicContact CG1-CB 3.72Å; V40-V88 HydrophobicContact CG2-CG2 3.6Å
41E98.1Very high98Very high137 Ų13765.6 Ų65.664%0.6435%0.351SS*.  trans-66.5132.2-179.3-74.7-62138.500111.6S43 A44 L45E41-S43 PolarHBondContact O-N 2.96Å; E41-A44 HydrophobicContact CB-CB 4.26Å; E41-A44 WeakPolarHBondContact O-CB 3.1Å; E41-A44 PolarHBondContact O-N 3.05Å; E41-L45 PolarHBondContact O-N 3.36Å
42P98.5Very high98.1Very high41 Ų4161.7 Ų61.727%0.26633%0.326SS..Hα-helixtrans-53.9-39.2178.8-27.633.6000113.4G26 E27 A30 A44 L45 E46G26-P42 WeakPolarHBondContact CA-O 3.34Å; E27-P42 HydrophobicContact CG-CB 4.27Å; A30-P42 HydrophobicContact CB-CB 4.32Å; A30-P42 HydrophobicContact CB-CG 3.75Å; P42-A44 VanDerWaalsContact C-N 3.33Å; P42-A44 PolarHBondContact O-N 3.12Å; P42-L45 PolarHBondContact O-N 3.26Å; P42-E46 WeakPolarHBondContact O-CB 3.09Å; P42-E46 PolarHBondContact O-N 3.38Å
43S98.3Very high98.1Very high70 Ų7064.2 Ų64.249%0.4934%0.336SS..Hα-helixtrans-67.3-31.9-179.564.60000113.1E41 Q47E41-S43 PolarHBondContact O-N 2.96Å; S43-Q47 VanDerWaalsContact O-CG 3.27Å; S43-Q47 WeakPolarHBondContact O-CG 3.02Å; S43-Q47 PolarHBondContact O-N 3.01Å; S43-Q47 VanDerWaalsContact O-N 3.15Å; S43-Q47 PolarHBondContact O-NE2 2.98Å
44A98.3Very high98.1Very high30 Ų3072.3 Ų72.325%0.24837%0.366CS..Hα-helixtrans-71.1-41.1174.900000110.8E41 P42 Q47 G48 A86E41-A44 HydrophobicContact CB-CB 4.26Å; E41-A44 WeakPolarHBondContact O-CB 3.1Å; E41-A44 PolarHBondContact O-N 3.05Å; P42-A44 VanDerWaalsContact C-N 3.33Å; P42-A44 PolarHBondContact O-N 3.12Å; A44-Q47 PolarHBondContact O-N 3.23Å; A44-G48 PolarHBondContact O-N 3.03Å; A44-A86 HydrophobicContact CB-CB 4.14Å
45L98.6Very high98.1Very high0 Ų070.2 Ų70.20%037%0.366CS..Hα-helixtrans-65.1-41175.1-70.9162.2000111.9Y29 A30 V40 E41 P42 Q47 G48 F49 T82 F83 A86Y29-L45 HydrophobicContact CD2-CD2 4.49Å; A30-L45 HydrophobicContact CB-CD1 3.81Å; V40-L45 HydrophobicContact CB-CD1 3.99Å; V40-L45 HydrophobicContact CB-CG 4.3Å; V40-L45 HydrophobicContact CG1-CD1 3.95Å; V40-L45 HydrophobicContact CG1-CD2 3.99Å; V40-L45 HydrophobicContact CG1-CG 3.7Å; E41-L45 PolarHBondContact O-N 3.36Å; P42-L45 PolarHBondContact O-N 3.26Å; L45-Q47 VanDerWaalsContact C-N 3.35Å; L45-Q47 PolarHBondContact O-N 3.02Å; L45-G48 PolarHBondContact O-N 3.01Å; L45-F49 VanDerWaalsContact O-CB 3.25Å; L45-F49 WeakPolarHBondContact O-CB 3.36Å; L45-F49 PolarHBondContact O-N 2.7Å; L45-T82 HydrophobicContact CD2-CG2 4.02Å; L45-T82 WeakPolarHBondContact O-CG2 3.26Å; L45-F83 HydrophobicContact CD2-CD1 3.92Å; L45-F83 HydrophobicContact CD2-CD2 4.16Å; L45-F83 HydrophobicContact CD2-CE1 3.78Å; L45-F83 HydrophobicContact CD2-CE2 4.04Å; L45-F83 HydrophobicContact CD2-CG 4.1Å; L45-F83 HydrophobicContact CD2-CZ 3.84Å; L45-A86 HydrophobicContact CD2-CB 3.98Å; L45-A86 HydrophobicContact CG-CB 4.34Å
46E98.3Very high98.1Very high62 Ų6267.4 Ų67.429%0.2934%0.339SS..Hα-helixtrans-62.9-40.3176.1-168.667.1-136.400111.9G26 P42 R50G26-E46 PolarHBondContact N-OE2 2.74Å; P42-E46 WeakPolarHBondContact O-CB 3.09Å; P42-E46 PolarHBondContact O-N 3.38Å; E46-R50 WeakPolarHBondContact O-CG 3.42Å; E46-R50 PolarHBondContact O-N 2.79Å; E46-R50 PolarHBondContact O-NE 3.23Å
47Q98.2Very high98.1Very high116 Ų11665.9 Ų65.954%0.54234%0.336SS..Hα-helixtrans-68.8-46.6174.9-72.1172.843.300111.8S43 A44 L45 F49 R50 Q51S43-Q47 VanDerWaalsContact O-CG 3.27Å; S43-Q47 WeakPolarHBondContact O-CG 3.02Å; S43-Q47 PolarHBondContact O-N 3.01Å; S43-Q47 VanDerWaalsContact O-N 3.15Å; S43-Q47 PolarHBondContact O-NE2 2.98Å; A44-Q47 PolarHBondContact O-N 3.23Å; L45-Q47 VanDerWaalsContact C-N 3.35Å; L45-Q47 PolarHBondContact O-N 3.02Å; Q47-F49 VanDerWaalsContact C-N 3.31Å; Q47-F49 PolarHBondContact O-N 2.71Å; Q47-R50 PolarHBondContact O-N 3.11Å; Q47-Q51 PolarHBondContact O-N 3.2Å; Q47-Q51 VanDerWaalsContact O-N 3.15Å
48G98.6Very high98Very high3 Ų370.5 Ų70.53%0.03134%0.34CS..Hα-helixtrans-58.1-43.6176.700000111.8A44 L45 Q51 A52A44-G48 PolarHBondContact O-N 3.03Å; L45-G48 PolarHBondContact O-N 3.01Å; G48-Q51 PolarHBondContact O-N 2.92Å; G48-A52 VanDerWaalsContact O-CB 3.22Å; G48-A52 WeakPolarHBondContact O-CB 3.3Å; G48-A52 PolarHBondContact O-N 3.29Å
49F98.6Very high98.1Very high29 Ų2971.5 Ų71.513%0.12735%0.35CS..Hα-helixtrans-62.3-50178.1178.1-96000111.8L25 Y29 L45 Q47 Q51 A52 Y53 W75 V78 T82L25-F49 HydrophobicContact CD1-CD1 3.75Å; L25-F49 HydrophobicContact CD1-CD2 3.82Å; L25-F49 HydrophobicContact CD1-CE1 3.61Å; L25-F49 HydrophobicContact CD1-CE2 3.67Å; L25-F49 HydrophobicContact CD1-CG 3.85Å; L25-F49 HydrophobicContact CD1-CZ 3.57Å; L25-F49 HydrophobicContact CD2-CB 3.68Å; L25-F49 HydrophobicContact CD2-CD1 4.05Å; L25-F49 HydrophobicContact CD2-CD2 3.87Å; L25-F49 HydrophobicContact CD2-CG 3.58Å; L25-F49 HydrophobicContact CG-CG 4.4Å; Y29-F49 HydrophobicContact CE2-CD2 4.36Å; L45-F49 VanDerWaalsContact O-CB 3.25Å; L45-F49 WeakPolarHBondContact O-CB 3.36Å; L45-F49 PolarHBondContact O-N 2.7Å; Q47-F49 VanDerWaalsContact C-N 3.31Å; Q47-F49 PolarHBondContact O-N 2.71Å; F49-Q51 PolarHBondContact O-N 3.37Å; F49-A52 PolarHBondContact O-N 3.13Å; F49-Y53 HydrophobicContact CE1-CD2 4.49Å; F49-Y53 HydrophobicContact CE1-CG 4.44Å; F49-Y53 AromaticContact CZ-CD2 3.97Å; F49-Y53 HydrophobicContact CZ-CD2 3.97Å; F49-Y53 HydrophobicContact CZ-CG 4.33Å; F49-Y53 WeakPolarHBondContact O-CB 3.44Å; F49-Y53 PolarHBondContact O-N 2.93Å; F49-W75 AromaticContact CE2-CZ3 3.89Å; F49-W75 HydrophobicContact CE2-CZ3 3.89Å; F49-W75 HydrophobicContact CZ-CH2 4.46Å; F49-W75 AromaticContact CZ-CZ3 3.95Å; F49-W75 HydrophobicContact CZ-CZ3 3.95Å; F49-V78 HydrophobicContact CD2-CG1 3.91Å; F49-V78 HydrophobicContact CE2-CG1 3.75Å; F49-T82 VanDerWaalsContact CA-OG1 3.32Å; F49-T82 WeakPolarHBondContact CA-OG1 3.46Å; F49-T82 HydrophobicContact CB-CG2 3.93Å
50R98.3Very high98.1Very high152 Ų15268.3 Ų68.357%0.57433%0.334SS*.Hα-helixtrans-56.7-40.7178.7-75.5-175.1-68.1159.8-4.6111.9E46 Q47 R54E46-R50 WeakPolarHBondContact O-CG 3.42Å; E46-R50 PolarHBondContact O-N 2.79Å; E46-R50 PolarHBondContact O-NE 3.23Å; Q47-R50 PolarHBondContact O-N 3.11Å; R50-R54 VanDerWaalsContact O-CB 3.29Å; R50-R54 WeakPolarHBondContact O-CB 3.49Å; R50-R54 PolarHBondContact O-N 2.86Å
51Q98.3Very high98Very high91 Ų9170.5 Ų70.543%0.42535%0.349SS..Hα-helixtrans-71.5-48.1177179.1174.3-1300112.2Q47 G48 F49 R54 V55 L85Q47-Q51 PolarHBondContact O-N 3.2Å; Q47-Q51 VanDerWaalsContact O-N 3.15Å; G48-Q51 PolarHBondContact O-N 2.92Å; F49-Q51 PolarHBondContact O-N 3.37Å; Q51-R54 PolarHBondContact O-N 3.01Å; Q51-V55 WeakPolarHBondContact O-CG2 3.46Å; Q51-V55 PolarHBondContact O-N 3.35Å; Q51-L85 HydrophobicContact CB-CD1 3.88Å; Q51-L85 HydrophobicContact CG-CD1 3.76Å
52A98.5Very high98Very high2 Ų265.3 Ų65.32%0.01733%0.325CS..Hα-helixtrans-60.4-49.6-179.900000111.6G48 F49 R54 V55 Q56 V78 Q81 L85G48-A52 VanDerWaalsContact O-CB 3.22Å; G48-A52 WeakPolarHBondContact O-CB 3.3Å; G48-A52 PolarHBondContact O-N 3.29Å; F49-A52 PolarHBondContact O-N 3.13Å; A52-R54 VanDerWaalsContact C-N 3.33Å; A52-R54 PolarHBondContact O-N 2.87Å; A52-V55 PolarHBondContact O-N 3.24Å; A52-Q56 WeakPolarHBondContact O-CB 3.44Å; A52-Q56 PolarHBondContact O-N 2.97Å; A52-V78 HydrophobicContact CB-CG1 4.25Å; A52-Q81 HydrophobicContact CB-CB 3.88Å; A52-Q81 HydrophobicContact CB-CG 3.84Å; A52-L85 HydrophobicContact CB-CD1 4.34Å
53Y98.3Very high98Very high94 Ų9464.1 Ų64.137%0.36932%0.316SS..Hα-helixtrans-57.5-44.7176.7-178.6-88.5000111.7F49 S57 W74 W75F49-Y53 HydrophobicContact CE1-CD2 4.49Å; F49-Y53 HydrophobicContact CE1-CG 4.44Å; F49-Y53 AromaticContact CZ-CD2 3.97Å; F49-Y53 HydrophobicContact CZ-CD2 3.97Å; F49-Y53 HydrophobicContact CZ-CG 4.33Å; F49-Y53 WeakPolarHBondContact O-CB 3.44Å; F49-Y53 PolarHBondContact O-N 2.93Å; Y53-S57 WeakPolarHBondContact CE1-OG 3.23Å; Y53-S57 WeakPolarHBondContact O-CB 3.36Å; Y53-S57 PolarHBondContact O-N 3.12Å; Y53-S57 PolarHBondContact O-OG 3.31Å; Y53-W74 AromaticContact CD2-CH2 3.59Å; Y53-W74 HydrophobicContact CD2-CH2 3.59Å; Y53-W74 HydrophobicContact CD2-CZ3 4.04Å; Y53-W74 AromaticContact CE2-CH2 3.5Å; Y53-W74 HydrophobicContact CE2-CH2 3.5Å; Y53-W74 AromaticContact CE2-CZ3 3.98Å; Y53-W74 HydrophobicContact CE2-CZ3 3.98Å; Y53-W74 HydrophobicContact CG-CH2 4.43Å; Y53-W75 AromaticContact CD2-CH2 3.96Å; Y53-W75 HydrophobicContact CD2-CH2 3.96Å; Y53-W75 AromaticContact CD2-CZ3 3.99Å; Y53-W75 HydrophobicContact CD2-CZ3 3.99Å; Y53-W75 AromaticContact CE2-CH2 3.68Å; Y53-W75 HydrophobicContact CE2-CH2 3.68Å; Y53-W75 HydrophobicContact CE2-CZ2 4.44Å; Y53-W75 HydrophobicContact CE2-CZ3 4.19Å
54R97.8Very high97.9Very high171 Ų17160.8 Ų60.865%0.64529%0.292SS*.Hα-helixtrans-62.5-46.8179-178.6179.966.5-177.5-0.4111.8R50 Q51 A52 H58R50-R54 VanDerWaalsContact O-CB 3.29Å; R50-R54 WeakPolarHBondContact O-CB 3.49Å; R50-R54 PolarHBondContact O-N 2.86Å; Q51-R54 PolarHBondContact O-N 3.01Å; A52-R54 VanDerWaalsContact C-N 3.33Å; A52-R54 PolarHBondContact O-N 2.87Å; R54-H58 WeakPolarHBondContact O-CB 3.3Å; R54-H58 PolarHBondContact O-N 2.95Å
55V98.1Very high97.8Very high75 Ų7562.1 Ų62.146%0.45530%0.295SS..Hα-helixtrans-65.2-48.8179.7171.70000110.2Q51 A52 S57 H58 S59Q51-V55 WeakPolarHBondContact O-CG2 3.46Å; Q51-V55 PolarHBondContact O-N 3.35Å; A52-V55 PolarHBondContact O-N 3.24Å; V55-S57 VanDerWaalsContact C-N 3.34Å; V55-S57 PolarHBondContact O-N 3.42Å; V55-H58 PolarHBondContact O-N 3.04Å; V55-H58 VanDerWaalsContact O-N 3.15Å; V55-S59 PolarHBondContact O-N 2.84Å; V55-S59 PolarHBondContact O-OG 2.85Å
56Q98.3Very high97.7Very high24 Ų2466.8 Ų66.811%0.11233%0.328CS..Hα-helixtrans-61.5-42.3179.5-167.379.1-6.500111.5A52 H58 S59 F60 W74 D77 V78A52-Q56 WeakPolarHBondContact O-CB 3.44Å; A52-Q56 PolarHBondContact O-N 2.97Å; Q56-H58 VanDerWaalsContact C-N 3.29Å; Q56-H58 PolarHBondContact O-N 2.91Å; Q56-S59 PolarHBondContact O-N 3.1Å; Q56-F60 HydrophobicContact CG-CD2 4.48Å; Q56-F60 CarbonylContact O-C 3.38Å; Q56-F60 WeakPolarHBondContact O-CA 3.34Å; Q56-F60 WeakPolarHBondContact O-CB 3.31Å; Q56-F60 PolarHBondContact O-N 3.18Å; Q56-W74 HydrophobicContact CB-CH2 4.47Å; Q56-W74 HydrophobicContact CB-CZ2 3.88Å; Q56-W74 HydrophobicContact CG-CD2 3.82Å; Q56-W74 HydrophobicContact CG-CG 4.08Å; Q56-W74 HydrophobicContact CG-CH2 4.39Å; Q56-W74 HydrophobicContact CG-CZ2 3.62Å; Q56-W74 VanDerWaalsContact CG-NE1 3.31Å; Q56-D77 PolarHBondContact NE2-OD2 2.95Å; Q56-V78 HydrophobicContact CB-CG2 3.61Å; Q56-V78 HydrophobicContact CG-CG2 3.68Å
57S96.6Very high97.6Very high36 Ų3668.9 Ų68.925%0.25234%0.337SS..Hα-helixtrans-66-31.2177.4-59.50000112.9Y53 V55 P61 W74Y53-S57 WeakPolarHBondContact CE1-OG 3.23Å; Y53-S57 WeakPolarHBondContact O-CB 3.36Å; Y53-S57 PolarHBondContact O-N 3.12Å; Y53-S57 PolarHBondContact O-OG 3.31Å; V55-S57 VanDerWaalsContact C-N 3.34Å; V55-S57 PolarHBondContact O-N 3.42Å; S57-P61 WeakPolarHBondContact O-CA 3.38Å; S57-W74 WeakPolarHBondContact OG-CZ2 3.34Å
58H96.7Very high97.5Very high163 Ų16366.8 Ų66.876%0.75535%0.347SS*.Hα-helixtrans-73.7-45.6176.7-176.674.3000111.8R54 V55 Q56R54-H58 WeakPolarHBondContact O-CB 3.3Å; R54-H58 PolarHBondContact O-N 2.95Å; V55-H58 PolarHBondContact O-N 3.04Å; V55-H58 VanDerWaalsContact O-N 3.15Å; Q56-H58 VanDerWaalsContact C-N 3.29Å; Q56-H58 PolarHBondContact O-N 2.91Å
59S97.6Very high97.4Very high59 Ų5968.5 Ų68.541%0.41336%0.355SS..Hα-helixtrans-78.4-33.6-178.5-63.70000113.3V55 Q56V55-S59 PolarHBondContact O-N 2.84Å; V55-S59 PolarHBondContact O-OG 2.85Å; Q56-S59 PolarHBondContact O-N 3.1Å
60F97.7Very high97.4Very high67 Ų6771 Ų7129%0.29437%0.373SS..SBendtrans-133.271.4-175.2-58.5-73.8000109.8Q56 G64 H67 L69 W74Q56-F60 HydrophobicContact CG-CD2 4.48Å; Q56-F60 CarbonylContact O-C 3.38Å; Q56-F60 WeakPolarHBondContact O-CA 3.34Å; Q56-F60 WeakPolarHBondContact O-CB 3.31Å; Q56-F60 PolarHBondContact O-N 3.18Å; F60-G64 PolarHBondContact O-N 3.08Å; F60-H67 HydrophobicContact CD1-CB 3.8Å; F60-H67 HydrophobicContact CE1-CB 4.2Å; F60-L69 HydrophobicContact CB-CD1 4.04Å; F60-L69 HydrophobicContact CD1-CD1 3.72Å; F60-L69 HydrophobicContact CD1-CG 4.43Å; F60-L69 HydrophobicContact CD2-CD1 4.21Å; F60-L69 HydrophobicContact CE1-CD1 4.2Å; F60-L69 HydrophobicContact CG-CD1 3.72Å; F60-W74 PolarHBondContact O-NE1 2.82Å
61P97.2Very high97.4Very high59 Ų5963.8 Ų63.838%0.38335%0.346SS..  trans-62.7154.8-178.127.4-35.9000112S57 Y63 G64S57-P61 WeakPolarHBondContact O-CA 3.38Å; P61-Y63 PolarHBondContact O-N 2.82Å; P61-G64 PolarHBondContact O-N 3.36Å
62N97.3Very high97.4Very high28 Ų2863.4 Ų63.415%0.1534%0.34CS..G310 helixtrans45.557.7-178.1-165.730.4000112.1G64 L65 S160 G164 P166N62-G64 PolarHBondContact O-N 2.83Å; N62-G64 VanDerWaalsContact O-N 3.09Å; N62-L65 WeakPolarHBondContact O-CD1 3.36Å; N62-L65 VanDerWaalsContact O-CG 3.26Å; N62-L65 WeakPolarHBondContact O-CG 3.38Å; N62-L65 PolarHBondContact O-N 3.33Å; N62-S160 PolarHBondContact ND2-O 3.08Å; N62-S160 VanDerWaalsContact OD1-CB 3.29Å; N62-S160 WeakPolarHBondContact OD1-CB 3.5Å; N62-S160 PolarHBondContact OD1-OG 3.26Å; N62-G164 PolarHBondContact ND2-O 3.06Å; N62-P166 HydrophobicContact CB-CG 4.31Å
63Y98.1Very high97.4Very high16 Ų1667.1 Ų67.16%0.06336%0.357CS..G310 helixtrans61.216.7179.3-44.9-69.3000115.5P61 L65 W74 W75 N136 F137 D138 E161P61-Y63 PolarHBondContact O-N 2.82Å; Y63-L65 PolarHBondContact O-N 2.86Å; Y63-W74 VanDerWaalsContact CA-CD1 3.47Å; Y63-W74 HydrophobicContact CD1-CD2 4.24Å; Y63-W74 HydrophobicContact CD1-CE3 4.05Å; Y63-W74 HydrophobicContact CD1-CZ3 4.41Å; Y63-W74 WeakPolarHBondContact O-CB 3.34Å; Y63-W75 HydrophobicContact CE1-CZ2 4.17Å; Y63-W75 AromaticContact CE1-NE1 3.84Å; Y63-N136 PolarHBondContact OH-O 2.98Å; Y63-N136 VanDerWaalsContact OH-O 3.09Å; Y63-F137 WeakPolarHBondContact CE2-O 3.49Å; Y63-F137 WeakPolarHBondContact OH-CA 3.35Å; Y63-F137 PolarHBondContact OH-N 2.91Å; Y63-D138 HydrophobicContact CD1-CB 4.45Å; Y63-D138 HydrophobicContact CD2-CB 4.4Å; Y63-D138 HydrophobicContact CE1-CB 4.2Å; Y63-D138 HydrophobicContact CE2-CB 4.14Å; Y63-D138 PolarHBondContact OH-N 3.34Å; Y63-E161 HydrophobicContact CD2-CB 4.07Å; Y63-E161 HydrophobicContact CE2-CB 4.31Å
64G97.4Very high97.4Very high0 Ų062.8 Ų62.80%034%0.34CS..G310 helixtrans69.217.6178.700000114.6F60 P61 N62 S66 H67 G68 L69F60-G64 PolarHBondContact O-N 3.08Å; P61-G64 PolarHBondContact O-N 3.36Å; N62-G64 PolarHBondContact O-N 2.83Å; N62-G64 VanDerWaalsContact O-N 3.09Å; G64-S66 VanDerWaalsContact C-N 3.25Å; G64-S66 PolarHBondContact O-N 3.08Å; G64-H67 CarbonylContact O-C 3.54Å; G64-H67 WeakPolarHBondContact O-CA 3.47Å; G64-H67 PolarHBondContact O-N 3.33Å; G64-G68 PolarHBondContact O-N 3.32Å; G64-L69 PolarHBondContact O-N 3.4Å; G64-L69 VanDerWaalsContact O-N 3.08Å
65L96.1Very high97.4Very high58 Ų5856.6 Ų56.630%0.30432%0.317SS..G310 helixtrans-57.5-38.9-176-63.4165.2000112.2N62 Y63 H67 E161N62-L65 WeakPolarHBondContact O-CD1 3.36Å; N62-L65 VanDerWaalsContact O-CG 3.26Å; N62-L65 WeakPolarHBondContact O-CG 3.38Å; N62-L65 PolarHBondContact O-N 3.33Å; Y63-L65 PolarHBondContact O-N 2.86Å; L65-H67 PolarHBondContact O-N 3.25Å; L65-E161 HydrophobicContact CD1-CB 3.96Å; L65-E161 HydrophobicContact CD1-CG 3.77Å; L65-E161 HydrophobicContact CD2-CG 4.13Å
66S95.7Very high97.4Very high98 Ų9853.7 Ų53.769%0.68530%0.299SS*.G310 helixtrans-75.8-6.1176.456.10000114.4G64G64-S66 VanDerWaalsContact C-N 3.25Å; G64-S66 PolarHBondContact O-N 3.08Å
67H95.8Very high97.4Very high105 Ų10554.6 Ų54.649%0.48631%0.305SS..G310 helixtrans-115.814.4-177.2-64.672.5000112.1F60 G64 L65F60-H67 HydrophobicContact CD1-CB 3.8Å; F60-H67 HydrophobicContact CE1-CB 4.2Å; G64-H67 CarbonylContact O-C 3.54Å; G64-H67 WeakPolarHBondContact O-CA 3.47Å; G64-H67 PolarHBondContact O-N 3.33Å; L65-H67 PolarHBondContact O-N 3.25Å
68G96.4Very high97.5Very high72 Ų7253 Ų5374%0.74229%0.293SS*.THydrogen-bonded Turntrans80.511.3176.900000114.8G64G64-G68 PolarHBondContact O-N 3.32Å
69L97.8Very high97.6Very high39 Ų3945.5 Ų45.520%0.20426%0.259CS..  trans-87.8153.2171.7-60.1-177.3000111.1F60 G64 Q73F60-L69 HydrophobicContact CB-CD1 4.04Å; F60-L69 HydrophobicContact CD1-CD1 3.72Å; F60-L69 HydrophobicContact CD1-CG 4.43Å; F60-L69 HydrophobicContact CD2-CD1 4.21Å; F60-L69 HydrophobicContact CE1-CD1 4.2Å; F60-L69 HydrophobicContact CG-CD1 3.72Å; G64-L69 PolarHBondContact O-N 3.4Å; G64-L69 VanDerWaalsContact O-N 3.08Å; L69-Q73 HydrophobicContact CD2-CG 4.2Å
70T98.1Very high97.7Very high83 Ų8345.2 Ų45.251%0.50925%0.252SS..  trans-92.7154161.3610000108.5R72 Q73 W74T70-R72 PolarHBondContact O-N 2.73Å; T70-Q73 PolarHBondContact O-N 3.41Å; T70-Q73 VanDerWaalsContact O-N 3.12Å; T70-Q73 WeakPolarHBondContact OG1-CB 3.47Å; T70-Q73 PolarHBondContact OG1-N 2.9Å; T70-Q73 VanDerWaalsContact OG1-N 3.14Å; T70-W74 WeakPolarHBondContact O-CB 3.41Å; T70-W74 PolarHBondContact O-N 3.01Å
71S97.6Very high97.7Very high0 Ų046 Ų460%026%0.257CS..Hα-helixtrans-57.2-34.5173.954.30000113W74 W75 E161S71-W74 PolarHBondContact O-N 3.4Å; S71-W75 PolarHBondContact O-N 3.24Å; S71-E161 VanDerWaalsContact CB-OE1 3.27Å; S71-E161 WeakPolarHBondContact CB-OE1 3.31Å; S71-E161 VanDerWaalsContact CB-OE2 3.31Å; S71-E161 WeakPolarHBondContact CB-OE2 3.4Å; S71-E161 VanDerWaalsContact OG-CD 3.26Å; S71-E161 PolarHBondContact OG-OE1 3.41Å; S71-E161 PolarHBondContact OG-OE2 3.03Å
72R97.9Very high97.8Very high83 Ų8343.2 Ų43.231%0.31324%0.239SC..Hα-helixtrans-59-54.6172.2-171.1178.8-159.3-83.53.2112.2T70 W74 W75 L76 E99 Y102 E103T70-R72 PolarHBondContact O-N 2.73Å; R72-W74 VanDerWaalsContact C-N 3.27Å; R72-W74 PolarHBondContact O-N 3.24Å; R72-W75 PolarHBondContact O-N 3.07Å; R72-L76 HydrophobicContact CG-CD1 4.43Å; R72-L76 WeakPolarHBondContact O-CG 3.43Å; R72-L76 PolarHBondContact O-N 2.88Å; R72-E99 IonicContact CZ-OE1 2.87Å; R72-E99 IonicContact CZ-OE2 3.97Å; R72-E99 VanDerWaalsContact NH1-CD 3.3Å; R72-E99 IonicContact NH1-OE1 3.46Å; R72-E99 PolarHBondContact NH1-OE1 3.45Å; R72-E99 IonicContact NH1-OE2 3.14Å; R72-E99 PolarHBondContact NH1-OE2 3.01Å; R72-E99 IonicContact NH2-OE1 2.7Å; R72-E99 IonicContact NH2-OE2 3.03Å; R72-E99 PolarHBondContact NH2-OE2 3.11Å; R72-Y102 HydrophobicContact CB-CE1 4.3Å; R72-Y102 HydrophobicContact CB-CE2 4.02Å; R72-Y102 HydrophobicContact CG-CD1 4.09Å; R72-Y102 HydrophobicContact CG-CD2 4.26Å; R72-Y102 HydrophobicContact CG-CE1 3.75Å; R72-Y102 HydrophobicContact CG-CE2 3.95Å; R72-Y102 HydrophobicContact CG-CG 4.32Å; R72-E103 IonicContact NH2-OE1 2.77Å
73Q98.3Very high97.8Very high79 Ų7941.9 Ų41.937%0.36923%0.232SC..Hα-helixtrans-59.1-43.2179-174.660.552.700111L69 T70 W75 L76 D77L69-Q73 HydrophobicContact CD2-CG 4.2Å; T70-Q73 PolarHBondContact O-N 3.41Å; T70-Q73 VanDerWaalsContact O-N 3.12Å; T70-Q73 WeakPolarHBondContact OG1-CB 3.47Å; T70-Q73 PolarHBondContact OG1-N 2.9Å; T70-Q73 VanDerWaalsContact OG1-N 3.14Å; Q73-W75 VanDerWaalsContact C-N 3.3Å; Q73-W75 PolarHBondContact O-N 3.03Å; Q73-L76 PolarHBondContact O-N 3.32Å; Q73-L76 VanDerWaalsContact O-N 3.16Å; Q73-D77 PolarHBondContact NE2-OD1 2.88Å; Q73-D77 PolarHBondContact O-N 2.79Å
74W98.6Very high97.9Very high3 Ų345.3 Ų45.31%0.01125%0.248CC..Hα-helixtrans-56.5-44.4178.5-170.999.8000112.2Y53 Q56 S57 F60 Y63 T70 S71 R72 D77 V78Y53-W74 AromaticContact CD2-CH2 3.59Å; Y53-W74 HydrophobicContact CD2-CH2 3.59Å; Y53-W74 HydrophobicContact CD2-CZ3 4.04Å; Y53-W74 AromaticContact CE2-CH2 3.5Å; Y53-W74 HydrophobicContact CE2-CH2 3.5Å; Y53-W74 AromaticContact CE2-CZ3 3.98Å; Y53-W74 HydrophobicContact CE2-CZ3 3.98Å; Y53-W74 HydrophobicContact CG-CH2 4.43Å; Q56-W74 HydrophobicContact CB-CH2 4.47Å; Q56-W74 HydrophobicContact CB-CZ2 3.88Å; Q56-W74 HydrophobicContact CG-CD2 3.82Å; Q56-W74 HydrophobicContact CG-CG 4.08Å; Q56-W74 HydrophobicContact CG-CH2 4.39Å; Q56-W74 HydrophobicContact CG-CZ2 3.62Å; Q56-W74 VanDerWaalsContact CG-NE1 3.31Å; S57-W74 WeakPolarHBondContact OG-CZ2 3.34Å; F60-W74 PolarHBondContact O-NE1 2.82Å; Y63-W74 VanDerWaalsContact CA-CD1 3.47Å; Y63-W74 HydrophobicContact CD1-CD2 4.24Å; Y63-W74 HydrophobicContact CD1-CE3 4.05Å; Y63-W74 HydrophobicContact CD1-CZ3 4.41Å; Y63-W74 WeakPolarHBondContact O-CB 3.34Å; T70-W74 WeakPolarHBondContact O-CB 3.41Å; T70-W74 PolarHBondContact O-N 3.01Å; S71-W74 PolarHBondContact O-N 3.4Å; R72-W74 VanDerWaalsContact C-N 3.27Å; R72-W74 PolarHBondContact O-N 3.24Å; W74-D77 PolarHBondContact O-N 3.16Å; W74-V78 HydrophobicContact CD2-CG2 4.36Å; W74-V78 HydrophobicContact CE3-CG2 3.9Å; W74-V78 HydrophobicContact CH2-CG2 3.87Å; W74-V78 HydrophobicContact CZ2-CG2 4.36Å; W74-V78 HydrophobicContact CZ3-CG2 3.63Å; W74-V78 WeakPolarHBondContact O-CG2 3.42Å; W74-V78 PolarHBondContact O-N 3.03Å; W74-V78 VanDerWaalsContact O-N 3.12Å
75W98.4Very high97.9Very high42 Ų4248.3 Ų48.316%0.15926%0.264CS..Hα-helixtrans-70-38.5176.6-79.9116.2000113.2F49 Y53 Y63 S71 R72 Q73 D77 V78 V79 Y102 D138 R140F49-W75 AromaticContact CE2-CZ3 3.89Å; F49-W75 HydrophobicContact CE2-CZ3 3.89Å; F49-W75 HydrophobicContact CZ-CH2 4.46Å; F49-W75 AromaticContact CZ-CZ3 3.95Å; F49-W75 HydrophobicContact CZ-CZ3 3.95Å; Y53-W75 AromaticContact CD2-CH2 3.96Å; Y53-W75 HydrophobicContact CD2-CH2 3.96Å; Y53-W75 AromaticContact CD2-CZ3 3.99Å; Y53-W75 HydrophobicContact CD2-CZ3 3.99Å; Y53-W75 AromaticContact CE2-CH2 3.68Å; Y53-W75 HydrophobicContact CE2-CH2 3.68Å; Y53-W75 HydrophobicContact CE2-CZ2 4.44Å; Y53-W75 HydrophobicContact CE2-CZ3 4.19Å; Y63-W75 HydrophobicContact CE1-CZ2 4.17Å; Y63-W75 AromaticContact CE1-NE1 3.84Å; S71-W75 PolarHBondContact O-N 3.24Å; R72-W75 PolarHBondContact O-N 3.07Å; Q73-W75 VanDerWaalsContact C-N 3.3Å; Q73-W75 PolarHBondContact O-N 3.03Å; W75-D77 VanDerWaalsContact C-N 3.3Å; W75-D77 PolarHBondContact O-N 2.95Å; W75-V78 HydrophobicContact CE3-CB 4.36Å; W75-V78 HydrophobicContact CE3-CG1 4.39Å; W75-V78 HydrophobicContact CZ3-CG1 4.43Å; W75-V78 PolarHBondContact O-N 3.41Å; W75-V79 WeakPolarHBondContact O-CG2 3.39Å; W75-V79 PolarHBondContact O-N 2.87Å; W75-Y102 HydrophobicContact CB-CD2 3.96Å; W75-Y102 HydrophobicContact CB-CE2 4.24Å; W75-D138 PolarHBondContact NE1-OD2 3.17Å; W75-R140 VanDerWaalsContact CD1-NH2 3.28Å
76L98.4Very high98Very high13 Ų1346.6 Ų46.67%0.06826%0.258CS..Hα-helixtrans-59.9-43.1174.1-66.7177.1000111R72 Q73 V78 V79 L80 A98 E99R72-L76 HydrophobicContact CG-CD1 4.43Å; R72-L76 WeakPolarHBondContact O-CG 3.43Å; R72-L76 PolarHBondContact O-N 2.88Å; Q73-L76 PolarHBondContact O-N 3.32Å; Q73-L76 VanDerWaalsContact O-N 3.16Å; L76-V78 PolarHBondContact O-N 3.16Å; L76-V79 PolarHBondContact O-N 3.2Å; L76-L80 WeakPolarHBondContact O-CB 3.33Å; L76-L80 VanDerWaalsContact O-CG 3.29Å; L76-L80 WeakPolarHBondContact O-CG 3.37Å; L76-L80 PolarHBondContact O-N 3.37Å; L76-A98 HydrophobicContact CD2-CB 3.77Å; L76-E99 WeakPolarHBondContact CD1-OE1 3.26Å; L76-E99 HydrophobicContact CD2-CG 4.36Å
77D98.4Very high98.1Very high44 Ų4444.8 Ų44.824%0.23526%0.255CS..Hα-helixtrans-61.2-43.5176.4-64.2-17.9000111.5Q56 Q73 W74 W75 V79 L80 Q81Q56-D77 PolarHBondContact NE2-OD2 2.95Å; Q73-D77 PolarHBondContact NE2-OD1 2.88Å; Q73-D77 PolarHBondContact O-N 2.79Å; W74-D77 PolarHBondContact O-N 3.16Å; W75-D77 VanDerWaalsContact C-N 3.3Å; W75-D77 PolarHBondContact O-N 2.95Å; D77-V79 VanDerWaalsContact C-N 3.35Å; D77-V79 PolarHBondContact O-N 2.91Å; D77-L80 PolarHBondContact O-N 3.48Å; D77-Q81 WeakPolarHBondContact O-CB 3.47Å; D77-Q81 PolarHBondContact O-N 3.29Å
78V98.6Very high98.1Very high1 Ų141 Ų411%0.00624%0.239CC..Hα-helixtrans-60.2-45.1175.5170.50000111.1F49 A52 Q56 W74 W75 L76 Q81 T82F49-V78 HydrophobicContact CD2-CG1 3.91Å; F49-V78 HydrophobicContact CE2-CG1 3.75Å; A52-V78 HydrophobicContact CB-CG1 4.25Å; Q56-V78 HydrophobicContact CB-CG2 3.61Å; Q56-V78 HydrophobicContact CG-CG2 3.68Å; W74-V78 HydrophobicContact CD2-CG2 4.36Å; W74-V78 HydrophobicContact CE3-CG2 3.9Å; W74-V78 HydrophobicContact CH2-CG2 3.87Å; W74-V78 HydrophobicContact CZ2-CG2 4.36Å; W74-V78 HydrophobicContact CZ3-CG2 3.63Å; W74-V78 WeakPolarHBondContact O-CG2 3.42Å; W74-V78 PolarHBondContact O-N 3.03Å; W74-V78 VanDerWaalsContact O-N 3.12Å; W75-V78 HydrophobicContact CE3-CB 4.36Å; W75-V78 HydrophobicContact CE3-CG1 4.39Å; W75-V78 HydrophobicContact CZ3-CG1 4.43Å; W75-V78 PolarHBondContact O-N 3.41Å; L76-V78 PolarHBondContact O-N 3.16Å; V78-Q81 PolarHBondContact O-N 3.24Å; V78-T82 WeakPolarHBondContact O-CB 3.29Å; V78-T82 PolarHBondContact O-N 3.09Å; V78-T82 PolarHBondContact O-OG1 3.33Å
79V98.6Very high97.9Very high6 Ų645.1 Ų45.14%0.03624%0.239CC..Hα-helixtrans-66.5-47.6179.91780000110.7Y29 W75 L76 D77 Q81 T82 F83 A98 L101Y29-V79 HydrophobicContact CE2-CG1 4.17Å; Y29-V79 HydrophobicContact CE2-CG2 4.03Å; W75-V79 WeakPolarHBondContact O-CG2 3.39Å; W75-V79 PolarHBondContact O-N 2.87Å; L76-V79 PolarHBondContact O-N 3.2Å; D77-V79 VanDerWaalsContact C-N 3.35Å; D77-V79 PolarHBondContact O-N 2.91Å; V79-Q81 VanDerWaalsContact C-N 3.29Å; V79-Q81 PolarHBondContact O-N 3.39Å; V79-T82 VanDerWaalsContact O-CB 3.27Å; V79-T82 WeakPolarHBondContact O-CB 3.29Å; V79-T82 PolarHBondContact O-N 3.29Å; V79-F83 HydrophobicContact CG1-CD2 3.75Å; V79-F83 HydrophobicContact CG1-CE2 3.78Å; V79-F83 WeakPolarHBondContact O-CD2 3.03Å; V79-F83 PolarHBondContact O-N 3.34Å; V79-A98 HydrophobicContact CB-CB 3.86Å; V79-A98 HydrophobicContact CG1-CB 3.6Å; V79-L101 HydrophobicContact CG1-CD1 3.93Å
80L98.5Very high97.8Very high53 Ų5347.7 Ų47.728%0.27725%0.253SS..Hα-helixtrans-55.4-46.9177-72.2168.6000111.1L76 D77 T82 F83 H84 A91 V94L76-L80 WeakPolarHBondContact O-CB 3.33Å; L76-L80 VanDerWaalsContact O-CG 3.29Å; L76-L80 WeakPolarHBondContact O-CG 3.37Å; L76-L80 PolarHBondContact O-N 3.37Å; D77-L80 PolarHBondContact O-N 3.48Å; L80-T82 VanDerWaalsContact C-N 3.33Å; L80-T82 PolarHBondContact O-N 3.32Å; L80-F83 PolarHBondContact O-N 3.49Å; L80-H84 WeakPolarHBondContact O-CB 3.36Å; L80-H84 PolarHBondContact O-N 3.06Å; L80-A91 HydrophobicContact CD2-CB 4.39Å; L80-V94 HydrophobicContact CD2-CB 3.92Å; L80-V94 HydrophobicContact CD2-CG1 3.82Å
81Q98.6Very high97.6Very high85 Ų8546.3 Ų46.340%0.39725%0.25SC..Hα-helixtrans-67.5-33.4177.9-172.861.322.500112.5A52 D77 V78 V79 H84 L85A52-Q81 HydrophobicContact CB-CB 3.88Å; A52-Q81 HydrophobicContact CB-CG 3.84Å; D77-Q81 WeakPolarHBondContact O-CB 3.47Å; D77-Q81 PolarHBondContact O-N 3.29Å; V78-Q81 PolarHBondContact O-N 3.24Å; V79-Q81 VanDerWaalsContact C-N 3.29Å; V79-Q81 PolarHBondContact O-N 3.39Å; Q81-H84 PolarHBondContact O-N 3.27Å; Q81-L85 HydrophobicContact CG-CD1 4.15Å; Q81-L85 HydrophobicContact CG-CG 4.44Å; Q81-L85 WeakPolarHBondContact O-CB 3.32Å; Q81-L85 VanDerWaalsContact O-CG 3.26Å; Q81-L85 WeakPolarHBondContact O-CG 3.48Å; Q81-L85 PolarHBondContact O-N 3.4Å
82T98.8Very high97.5Very high0 Ų053.7 Ų53.70%028%0.284CS..Hα-helixtrans-59.4-50.3174.5-63.40000110.8Y29 L45 F49 V78 V79 L80 L85 A86Y29-T82 HydrophobicContact CD2-CG2 4.1Å; Y29-T82 HydrophobicContact CE2-CG2 4.12Å; L45-T82 HydrophobicContact CD2-CG2 4.02Å; L45-T82 WeakPolarHBondContact O-CG2 3.26Å; F49-T82 VanDerWaalsContact CA-OG1 3.32Å; F49-T82 WeakPolarHBondContact CA-OG1 3.46Å; F49-T82 HydrophobicContact CB-CG2 3.93Å; V78-T82 WeakPolarHBondContact O-CB 3.29Å; V78-T82 PolarHBondContact O-N 3.09Å; V78-T82 PolarHBondContact O-OG1 3.33Å; V79-T82 VanDerWaalsContact O-CB 3.27Å; V79-T82 WeakPolarHBondContact O-CB 3.29Å; V79-T82 PolarHBondContact O-N 3.29Å; L80-T82 VanDerWaalsContact C-N 3.33Å; L80-T82 PolarHBondContact O-N 3.32Å; T82-L85 PolarHBondContact O-N 2.89Å; T82-A86 WeakPolarHBondContact O-CB 3.5Å; T82-A86 PolarHBondContact O-N 2.9Å
83F98.6Very high97.4Very high0 Ų051.3 Ų51.30%028%0.282CS..Hα-helixtrans-67.1-37.6178.8-85.3-90.8000112.2Y29 A33 V40 L45 V79 L80 L85 A86 G87 V88 V94 I97 L101Y29-F83 AromaticContact CD2-CE2 3.85Å; Y29-F83 HydrophobicContact CD2-CE2 3.85Å; A33-F83 HydrophobicContact CB-CE1 3.66Å; A33-F83 HydrophobicContact CB-CZ 3.94Å; V40-F83 HydrophobicContact CG2-CD1 4.41Å; V40-F83 HydrophobicContact CG2-CE1 4.29Å; L45-F83 HydrophobicContact CD2-CD1 3.92Å; L45-F83 HydrophobicContact CD2-CD2 4.16Å; L45-F83 HydrophobicContact CD2-CE1 3.78Å; L45-F83 HydrophobicContact CD2-CE2 4.04Å; L45-F83 HydrophobicContact CD2-CG 4.1Å; L45-F83 HydrophobicContact CD2-CZ 3.84Å; V79-F83 HydrophobicContact CG1-CD2 3.75Å; V79-F83 HydrophobicContact CG1-CE2 3.78Å; V79-F83 WeakPolarHBondContact O-CD2 3.03Å; V79-F83 PolarHBondContact O-N 3.34Å; L80-F83 PolarHBondContact O-N 3.49Å; F83-L85 PolarHBondContact O-N 2.9Å; F83-A86 CarbonylContact O-C 3.59Å; F83-A86 PolarHBondContact O-N 3.11Å; F83-A86 VanDerWaalsContact O-N 3.16Å; F83-G87 PolarHBondContact O-N 3.34Å; F83-G87 VanDerWaalsContact O-N 3.17Å; F83-V88 HydrophobicContact CB-CB 4.29Å; F83-V88 HydrophobicContact CD1-CB 4.4Å; F83-V88 HydrophobicContact CD1-CG2 4.22Å; F83-V88 PolarHBondContact O-N 2.87Å; F83-V94 HydrophobicContact CB-CB 4.4Å; F83-V94 HydrophobicContact CB-CG1 3.72Å; F83-V94 HydrophobicContact CB-CG2 3.74Å; F83-V94 HydrophobicContact CD1-CG1 4.36Å; F83-V94 HydrophobicContact CD1-CG2 4.19Å; F83-V94 HydrophobicContact CD2-CG1 3.65Å; F83-V94 HydrophobicContact CE2-CG1 4.38Å; F83-V94 HydrophobicContact CG-CG1 3.64Å; F83-V94 HydrophobicContact CG-CG2 4.02Å; F83-I97 HydrophobicContact CE2-CG2 3.97Å; F83-I97 HydrophobicContact CZ-CG2 3.74Å; F83-L101 HydrophobicContact CE2-CD1 4.22Å
84H98.4Very high97.4Very high88 Ų8847.6 Ų47.641%0.40727%0.265SS..Hα-helixtrans-58.3-48173.4-177.481.5000111.8L80 Q81 A86 G87 V88L80-H84 WeakPolarHBondContact O-CB 3.36Å; L80-H84 PolarHBondContact O-N 3.06Å; Q81-H84 PolarHBondContact O-N 3.27Å; H84-A86 PolarHBondContact O-N 3Å; H84-G87 PolarHBondContact O-N 3.02Å; H84-G87 VanDerWaalsContact O-N 3.08Å; H84-V88 WeakPolarHBondContact CA-O 3.43Å
85L98.2Very high97.3Very high62 Ų6249.3 Ų49.333%0.32528%0.28SS..Hα-helixtrans-66.7-26.6177-69.5170.8000112.8Q51 A52 Q81 T82 F83 G87Q51-L85 HydrophobicContact CB-CD1 3.88Å; Q51-L85 HydrophobicContact CG-CD1 3.76Å; A52-L85 HydrophobicContact CB-CD1 4.34Å; Q81-L85 HydrophobicContact CG-CD1 4.15Å; Q81-L85 HydrophobicContact CG-CG 4.44Å; Q81-L85 WeakPolarHBondContact O-CB 3.32Å; Q81-L85 VanDerWaalsContact O-CG 3.26Å; Q81-L85 WeakPolarHBondContact O-CG 3.48Å; Q81-L85 PolarHBondContact O-N 3.4Å; T82-L85 PolarHBondContact O-N 2.89Å; F83-L85 PolarHBondContact O-N 2.9Å; L85-G87 VanDerWaalsContact C-N 3.26Å; L85-G87 PolarHBondContact O-N 2.72Å
86A97.9Very high97.3Very high23 Ų2350 Ų5019%0.1929%0.289CS..THydrogen-bonded Turntrans-82.72.4173.900000113.7V40 A44 L45 T82 F83 H84V40-A86 HydrophobicContact CG1-CB 3.72Å; A44-A86 HydrophobicContact CB-CB 4.14Å; L45-A86 HydrophobicContact CD2-CB 3.98Å; L45-A86 HydrophobicContact CG-CB 4.34Å; T82-A86 WeakPolarHBondContact O-CB 3.5Å; T82-A86 PolarHBondContact O-N 2.9Å; F83-A86 CarbonylContact O-C 3.59Å; F83-A86 PolarHBondContact O-N 3.11Å; F83-A86 VanDerWaalsContact O-N 3.16Å; H84-A86 PolarHBondContact O-N 3Å
87G97.3Very high97.3Very high60 Ų6049.3 Ų49.362%0.61929%0.286SS*.THydrogen-bonded Turntrans101.80.7173.400000115.7F83 H84 L85 Q89F83-G87 PolarHBondContact O-N 3.34Å; F83-G87 VanDerWaalsContact O-N 3.17Å; H84-G87 PolarHBondContact O-N 3.02Å; H84-G87 VanDerWaalsContact O-N 3.08Å; L85-G87 VanDerWaalsContact C-N 3.26Å; L85-G87 PolarHBondContact O-N 2.72Å; G87-Q89 PolarHBondContact O-N 3.14Å
88V96.9Very high97.3Very high25 Ų2547.3 Ų47.315%0.15228%0.275CS..  trans-94.198.1176.7-175.10000109.8L38 V40 F83 H84 V94L38-V88 HydrophobicContact CD1-CG1 3.94Å; V40-V88 HydrophobicContact CG2-CG2 3.6Å; F83-V88 HydrophobicContact CB-CB 4.29Å; F83-V88 HydrophobicContact CD1-CB 4.4Å; F83-V88 HydrophobicContact CD1-CG2 4.22Å; F83-V88 PolarHBondContact O-N 2.87Å; H84-V88 WeakPolarHBondContact CA-O 3.43Å; V88-V94 HydrophobicContact CB-CG2 4.29Å; V88-V94 HydrophobicContact CG1-CG2 3.57Å
89Q92.3Very high97.3Very high159 Ų15950.4 Ų50.474%0.74329%0.29SS*.  trans-83.4-19.8-175.4-63.3-175.5-10.100114.3G87 A91G87-Q89 PolarHBondContact O-N 3.14Å; Q89-A91 PolarHBondContact O-N 3.23Å; Q89-A91 VanDerWaalsContact O-N 3.13Å
90D94.9Very high97.2Very high93 Ų9354 Ų5450%0.49731%0.306SS..  trans-78.597.3-179.6-175.50.7000111.4Q92 A93 V94D90-Q92 PolarHBondContact O-N 3.12Å; D90-Q92 WeakPolarHBondContact OD1-CB 3.46Å; D90-Q92 PolarHBondContact OD1-N 3.01Å; D90-A93 HydrophobicContact CB-CB 4.12Å; D90-A93 PolarHBondContact O-N 2.75Å; D90-A93 PolarHBondContact OD1-N 3.29Å; D90-V94 PolarHBondContact O-N 3.09Å
91A93.9Very high97.2Very high53 Ų5351.7 Ų51.744%0.43829%0.294SS..Hα-helixtrans-62-27.1178.100000113.4L80 Q89 V94 A95L80-A91 HydrophobicContact CD2-CB 4.39Å; Q89-A91 PolarHBondContact O-N 3.23Å; Q89-A91 VanDerWaalsContact O-N 3.13Å; A91-V94 PolarHBondContact O-N 3.14Å; A91-A95 WeakPolarHBondContact O-CB 3.37Å; A91-A95 PolarHBondContact O-N 2.95Å
92Q95.5Very high97.2Very high155 Ų15548.5 Ų48.572%0.72428%0.279SS*.Hα-helixtrans-71.2-34.4178.9-63.4-60.1-52.200111.4D90 V94 P96D90-Q92 PolarHBondContact O-N 3.12Å; D90-Q92 WeakPolarHBondContact OD1-CB 3.46Å; D90-Q92 PolarHBondContact OD1-N 3.01Å; Q92-V94 VanDerWaalsContact C-N 3.35Å; Q92-P96 VanDerWaalsContact O-CD 3.3Å; Q92-P96 WeakPolarHBondContact O-CD 3.45Å
93A96.2Very high97.1Very high33 Ų3353.2 Ų53.227%0.27330%0.301SS..Hα-helixtrans-68.8-33.3172.700000112.4L38 D90L38-A93 HydrophobicContact CD1-CB 4.39Å; D90-A93 HydrophobicContact CB-CB 4.12Å; D90-A93 PolarHBondContact O-N 2.75Å; D90-A93 PolarHBondContact OD1-N 3.29Å
94V98Very high96.9Very high2 Ų254.6 Ų54.61%0.01231%0.308CS..Hα-helixtrans-84-31.3-177.2-178.40000113.1L38 L80 F83 V88 D90 A91 Q92 I97 A98L38-V94 HydrophobicContact CD1-CG2 4.43Å; L80-V94 HydrophobicContact CD2-CB 3.92Å; L80-V94 HydrophobicContact CD2-CG1 3.82Å; F83-V94 HydrophobicContact CB-CB 4.4Å; F83-V94 HydrophobicContact CB-CG1 3.72Å; F83-V94 HydrophobicContact CB-CG2 3.74Å; F83-V94 HydrophobicContact CD1-CG1 4.36Å; F83-V94 HydrophobicContact CD1-CG2 4.19Å; F83-V94 HydrophobicContact CD2-CG1 3.65Å; F83-V94 HydrophobicContact CE2-CG1 4.38Å; F83-V94 HydrophobicContact CG-CG1 3.64Å; F83-V94 HydrophobicContact CG-CG2 4.02Å; V88-V94 HydrophobicContact CB-CG2 4.29Å; V88-V94 HydrophobicContact CG1-CG2 3.57Å; D90-V94 PolarHBondContact O-N 3.09Å; A91-V94 PolarHBondContact O-N 3.14Å; Q92-V94 VanDerWaalsContact C-N 3.35Å; V94-I97 WeakPolarHBondContact O-CA 3.34Å; V94-I97 WeakPolarHBondContact O-CB 3.46Å; V94-I97 PolarHBondContact O-N 2.66Å; V94-A98 PolarHBondContact O-N 3.32Å
95A97.7Very high96.8Very high38 Ų3851.5 Ų51.531%0.31429%0.294SS..Hα-helixtrans-47.6-51.2-178.600000114.4A91 I97 A98 E99A91-A95 WeakPolarHBondContact O-CB 3.37Å; A91-A95 PolarHBondContact O-N 2.95Å; A95-I97 VanDerWaalsContact C-N 3.28Å; A95-I97 PolarHBondContact O-N 2.94Å; A95-A98 PolarHBondContact O-N 2.91Å; A95-E99 VanDerWaalsContact O-CG 3.3Å; A95-E99 WeakPolarHBondContact O-CG 3.4Å; A95-E99 PolarHBondContact O-N 2.85Å
96P98.1Very high96.5Very high56 Ų5650.1 Ų50.136%0.36429%0.289SS..Hα-helixtrans-65.5-29.117826.2-35.5000113.7Q92 Q100Q92-P96 VanDerWaalsContact O-CD 3.3Å; Q92-P96 WeakPolarHBondContact O-CD 3.45Å; P96-Q100 WeakPolarHBondContact O-CG 3.34Å; P96-Q100 PolarHBondContact O-N 3.19Å; P96-Q100 VanDerWaalsContact O-N 3.12Å
97I98.3Very high96.4Very high0 Ų055.3 Ų55.30%030%0.304CS..Hα-helixtrans-68.7-46.5174.6-66.7160.5000109.9K32 A33 H36 L38 F83 V94 A95 E99 Q100 L101K32-I97 HydrophobicContact CB-CG2 4.42Å; K32-I97 HydrophobicContact CG-CG2 3.86Å; A33-I97 HydrophobicContact CB-CD1 4.46Å; H36-I97 HydrophobicContact CB-CD1 3.76Å; H36-I97 HydrophobicContact CB-CG1 3.64Å; L38-I97 HydrophobicContact CD1-CD1 3.53Å; L38-I97 HydrophobicContact CG-CD1 4.23Å; F83-I97 HydrophobicContact CE2-CG2 3.97Å; F83-I97 HydrophobicContact CZ-CG2 3.74Å; V94-I97 WeakPolarHBondContact O-CA 3.34Å; V94-I97 WeakPolarHBondContact O-CB 3.46Å; V94-I97 PolarHBondContact O-N 2.66Å; A95-I97 VanDerWaalsContact C-N 3.28Å; A95-I97 PolarHBondContact O-N 2.94Å; I97-E99 VanDerWaalsContact C-N 3.3Å; I97-E99 PolarHBondContact O-N 2.9Å; I97-Q100 PolarHBondContact O-N 3.32Å; I97-L101 HydrophobicContact CG2-CD1 3.78Å; I97-L101 HydrophobicContact CG2-CG 4.3Å; I97-L101 WeakPolarHBondContact O-CB 3.46Å; I97-L101 VanDerWaalsContact O-CG 3.32Å; I97-L101 WeakPolarHBondContact O-CG 3.4Å; I97-L101 PolarHBondContact O-N 3.46Å
98A98.1Very high96.2Very high1 Ų154.5 Ų54.51%0.00829%0.287CS..Hα-helixtrans-60.1-41.8178.200000112L76 V79 V94 A95 L101 Y102L76-A98 HydrophobicContact CD2-CB 3.77Å; V79-A98 HydrophobicContact CB-CB 3.86Å; V79-A98 HydrophobicContact CG1-CB 3.6Å; V94-A98 PolarHBondContact O-N 3.32Å; A95-A98 PolarHBondContact O-N 2.91Å; A98-L101 PolarHBondContact O-N 2.87Å; A98-Y102 PolarHBondContact O-N 3.29Å
99E97.9Very high96Very high67 Ų6756.6 Ų56.631%0.31330%0.302SS..Hα-helixtrans-61.6-48.1175.7-70.1-68.1-174.900111.9R72 L76 A95 I97 L101 Y102 E103R72-E99 IonicContact CZ-OE1 2.87Å; R72-E99 IonicContact CZ-OE2 3.97Å; R72-E99 VanDerWaalsContact NH1-CD 3.3Å; R72-E99 IonicContact NH1-OE1 3.46Å; R72-E99 PolarHBondContact NH1-OE1 3.45Å; R72-E99 IonicContact NH1-OE2 3.14Å; R72-E99 PolarHBondContact NH1-OE2 3.01Å; R72-E99 IonicContact NH2-OE1 2.7Å; R72-E99 IonicContact NH2-OE2 3.03Å; R72-E99 PolarHBondContact NH2-OE2 3.11Å; L76-E99 WeakPolarHBondContact CD1-OE1 3.26Å; L76-E99 HydrophobicContact CD2-CG 4.36Å; A95-E99 VanDerWaalsContact O-CG 3.3Å; A95-E99 WeakPolarHBondContact O-CG 3.4Å; A95-E99 PolarHBondContact O-N 2.85Å; I97-E99 VanDerWaalsContact C-N 3.3Å; I97-E99 PolarHBondContact O-N 2.9Å; E99-L101 PolarHBondContact O-N 3.14Å; E99-Y102 PolarHBondContact O-N 3.37Å; E99-E103 WeakPolarHBondContact O-CG 3.08Å; E99-E103 PolarHBondContact O-N 2.91Å; E99-E103 VanDerWaalsContact O-N 3.15Å
100Q97.8Very high96.2Very high81 Ų8149.3 Ų49.338%0.37927%0.269SS..Hα-helixtrans-66.4-37177.6-72.8-172.61200113K32 H36 P96 I97 Y102 E103 D104K32-Q100 HydrophobicContact CD-CB 4Å; K32-Q100 VanDerWaalsContact CD-OE1 3.32Å; H36-Q100 PolarHBondContact CE1-NE2 3.05Å; H36-Q100 VanDerWaalsContact NE2-CD 3.26Å; H36-Q100 PolarHBondContact NE2-NE2 3.37Å; H36-Q100 PolarHBondContact NE2-OE1 3.02Å; P96-Q100 WeakPolarHBondContact O-CG 3.34Å; P96-Q100 PolarHBondContact O-N 3.19Å; P96-Q100 VanDerWaalsContact O-N 3.12Å; I97-Q100 PolarHBondContact O-N 3.32Å; Q100-Y102 VanDerWaalsContact C-N 3.35Å; Q100-E103 PolarHBondContact O-N 3.02Å; Q100-D104 WeakPolarHBondContact O-CB 3.1Å; Q100-D104 PolarHBondContact O-N 2.9Å
101L97.8Very high96.3Very high4 Ų445.5 Ų45.52%0.02125%0.247CC..Hα-helixtrans-63.2-42.6174.2-73.3169.8000110.8Y29 K32 V79 F83 I97 A98 E99 E103 D104 F105Y29-L101 HydrophobicContact CD1-CD1 3.88Å; Y29-L101 HydrophobicContact CD1-CD2 3.87Å; Y29-L101 HydrophobicContact CD2-CD1 3.96Å; Y29-L101 HydrophobicContact CE1-CD1 4.01Å; Y29-L101 HydrophobicContact CE1-CD2 4.16Å; Y29-L101 HydrophobicContact CE2-CD1 4.1Å; Y29-L101 HydrophobicContact CG-CD1 3.85Å; Y29-L101 HydrophobicContact CG-CD2 4.48Å; K32-L101 HydrophobicContact CB-CD2 3.83Å; K32-L101 HydrophobicContact CB-CG 4.27Å; K32-L101 HydrophobicContact CG-CD2 4.06Å; K32-L101 HydrophobicContact CG-CG 4.04Å; V79-L101 HydrophobicContact CG1-CD1 3.93Å; F83-L101 HydrophobicContact CE2-CD1 4.22Å; I97-L101 HydrophobicContact CG2-CD1 3.78Å; I97-L101 HydrophobicContact CG2-CG 4.3Å; I97-L101 WeakPolarHBondContact O-CB 3.46Å; I97-L101 VanDerWaalsContact O-CG 3.32Å; I97-L101 WeakPolarHBondContact O-CG 3.4Å; I97-L101 PolarHBondContact O-N 3.46Å; A98-L101 PolarHBondContact O-N 2.87Å; E99-L101 PolarHBondContact O-N 3.14Å; L101-E103 VanDerWaalsContact C-N 3.31Å; L101-E103 PolarHBondContact O-N 3.25Å; L101-D104 PolarHBondContact O-N 2.65Å; L101-F105 HydrophobicContact CD2-CE2 4.2Å; L101-F105 WeakPolarHBondContact O-CB 3.49Å; L101-F105 WeakPolarHBondContact O-CD2 3.46Å; L101-F105 PolarHBondContact O-N 3.09Å
102Y97.7Very high96.5Very high18 Ų1845.8 Ų45.87%0.07124%0.24CC..Hα-helixtrans-58.3-45.2177.1-176.7-93.4000112R72 W75 A98 E99 Q100 S106 R140R72-Y102 HydrophobicContact CB-CE1 4.3Å; R72-Y102 HydrophobicContact CB-CE2 4.02Å; R72-Y102 HydrophobicContact CG-CD1 4.09Å; R72-Y102 HydrophobicContact CG-CD2 4.26Å; R72-Y102 HydrophobicContact CG-CE1 3.75Å; R72-Y102 HydrophobicContact CG-CE2 3.95Å; R72-Y102 HydrophobicContact CG-CG 4.32Å; W75-Y102 HydrophobicContact CB-CD2 3.96Å; W75-Y102 HydrophobicContact CB-CE2 4.24Å; A98-Y102 PolarHBondContact O-N 3.29Å; E99-Y102 PolarHBondContact O-N 3.37Å; Q100-Y102 VanDerWaalsContact C-N 3.35Å; Y102-S106 PolarHBondContact O-OG 2.87Å; Y102-S106 VanDerWaalsContact O-OG 3.11Å; Y102-R140 PolarHBondContact O-NH1 3.12Å
103E96.9Very high96.6Very high99 Ų9940.3 Ų40.346%0.46322%0.217SC..Hα-helixtrans-66.6-46.4176.8-64.3-56.3151.300111.8R72 E99 Q100 L101 F105 S106 R107R72-E103 IonicContact NH2-OE1 2.77Å; E99-E103 WeakPolarHBondContact O-CG 3.08Å; E99-E103 PolarHBondContact O-N 2.91Å; E99-E103 VanDerWaalsContact O-N 3.15Å; Q100-E103 PolarHBondContact O-N 3.02Å; L101-E103 VanDerWaalsContact C-N 3.31Å; L101-E103 PolarHBondContact O-N 3.25Å; E103-F105 VanDerWaalsContact C-N 3.34Å; E103-F105 PolarHBondContact O-N 3.38Å; E103-S106 WeakPolarHBondContact O-CA 3.49Å; E103-S106 VanDerWaalsContact O-CB 3.22Å; E103-S106 WeakPolarHBondContact O-CB 3.41Å; E103-S106 PolarHBondContact O-N 2.83Å; E103-R107 WeakPolarHBondContact O-CG 3.31Å
104D96Very high96.6Very high29 Ų2940.7 Ų40.716%0.15521%0.214CC..Hα-helixtrans-62.5-39.8-178.5-78-26.9000111.9K32 Q100 L101 S106 R107 T110K32-D104 WeakPolarHBondContact CE-OD2 3.27Å; K32-D104 IonicContact NZ-OD2 2.67Å; K32-D104 PolarHBondContact NZ-OD2 2.72Å; Q100-D104 WeakPolarHBondContact O-CB 3.1Å; Q100-D104 PolarHBondContact O-N 2.9Å; L101-D104 PolarHBondContact O-N 2.65Å; D104-S106 PolarHBondContact O-N 3.33Å; D104-S106 VanDerWaalsContact O-N 3.11Å; D104-R107 VanDerWaalsContact O-CB 3.28Å; D104-R107 WeakPolarHBondContact O-CB 3.31Å; D104-R107 PolarHBondContact O-N 3.45Å; D104-R107 WeakPolarHBondContact OD1-CD 3.47Å; D104-R107 IonicContact OD1-NH1 3.29Å; D104-R107 PolarHBondContact OD1-NH1 2.91Å; D104-R107 VanDerWaalsContact OD1-NH1 3.16Å; D104-T110 PolarHBondContact O-OG1 3.29Å
105F95.4Very high96.4Very high24 Ų2448 Ų4811%0.10525%0.253CS..THydrogen-bonded Turntrans-65.7-13.4175.2-84.9-108.1000113.7L21 Y29 L101 E103 R107 T110 W111 I144L21-F105 HydrophobicContact CD1-CE1 4.16Å; L21-F105 HydrophobicContact CD2-CD1 4.14Å; L21-F105 HydrophobicContact CD2-CE1 3.69Å; Y29-F105 HydrophobicContact CD1-CE2 4.41Å; Y29-F105 HydrophobicContact CD1-CZ 4.49Å; Y29-F105 AromaticContact CE1-CE2 3.8Å; Y29-F105 HydrophobicContact CE1-CE2 3.8Å; Y29-F105 AromaticContact CE1-CZ 3.8Å; Y29-F105 HydrophobicContact CE1-CZ 3.8Å; L101-F105 HydrophobicContact CD2-CE2 4.2Å; L101-F105 WeakPolarHBondContact O-CB 3.49Å; L101-F105 WeakPolarHBondContact O-CD2 3.46Å; L101-F105 PolarHBondContact O-N 3.09Å; E103-F105 VanDerWaalsContact C-N 3.34Å; E103-F105 PolarHBondContact O-N 3.38Å; F105-R107 VanDerWaalsContact C-N 3.33Å; F105-T110 HydrophobicContact CD1-CG2 4.31Å; F105-T110 HydrophobicContact CD2-CG2 4.37Å; F105-T110 HydrophobicContact CE1-CG2 4.49Å; F105-T110 HydrophobicContact CG-CG2 4.27Å; F105-W111 HydrophobicContact CD1-CZ2 4.47Å; F105-W111 PolarHBondContact O-NE1 3.44Å; F105-I144 WeakPolarHBondContact O-CD1 3.36Å
106S92.8Very high96.1Very high32 Ų3247.9 Ų47.922%0.22426%0.256CS..THydrogen-bonded Turntrans-83.1-11170.4-48.60000112.7Y102 E103 D104 R140Y102-S106 PolarHBondContact O-OG 2.87Å; Y102-S106 VanDerWaalsContact O-OG 3.11Å; E103-S106 WeakPolarHBondContact O-CA 3.49Å; E103-S106 VanDerWaalsContact O-CB 3.22Å; E103-S106 WeakPolarHBondContact O-CB 3.41Å; E103-S106 PolarHBondContact O-N 2.83Å; D104-S106 PolarHBondContact O-N 3.33Å; D104-S106 VanDerWaalsContact O-N 3.11Å; S106-R140 WeakPolarHBondContact OG-CD 3.07Å
107R94.7Very high96.1Very high133 Ų13345.2 Ų45.250%0.50224%0.238SC..SBendtrans-93139.4-171.9-59173.677.8-172.82111.2E103 D104 F105 C109 T110E103-R107 WeakPolarHBondContact O-CG 3.31Å; D104-R107 VanDerWaalsContact O-CB 3.28Å; D104-R107 WeakPolarHBondContact O-CB 3.31Å; D104-R107 PolarHBondContact O-N 3.45Å; D104-R107 WeakPolarHBondContact OD1-CD 3.47Å; D104-R107 IonicContact OD1-NH1 3.29Å; D104-R107 PolarHBondContact OD1-NH1 2.91Å; D104-R107 VanDerWaalsContact OD1-NH1 3.16Å; F105-R107 VanDerWaalsContact C-N 3.33Å; R107-C109 PolarHBondContact O-N 2.77Å; R107-C109 VanDerWaalsContact O-N 3.08Å; R107-T110 PolarHBondContact O-N 3.4Å; R107-T110 VanDerWaalsContact O-N 3.13Å
108P92.9Very high96.1Very high42 Ų4248.1 Ų48.127%0.27325%0.252SS..G310 helixtrans-54.7-31.4178-2936.6000114.4T110 W111 G147 L148P108-T110 PolarHBondContact O-N 2.92Å; P108-W111 PolarHBondContact O-N 2.75Å; P108-W111 VanDerWaalsContact O-N 3.08Å; P108-G147 VanDerWaalsContact CG-CA 3.42Å; P108-G147 WeakPolarHBondContact CG-O 3.33Å; P108-L148 HydrophobicContact CB-CD2 3.81Å; P108-L148 HydrophobicContact CB-CG 3.97Å
109C93.6Very high96Very high69 Ų6952.9 Ų52.947%0.46628%0.277SS..G310 helixtrans-63.8-26.5-178.155.80000113.8R22 R107 W111R22-C109 WeakPolarHBondContact CD-O 3.44Å; R22-C109 PolarHBondContact NE-O 3.28Å; R107-C109 PolarHBondContact O-N 2.77Å; R107-C109 VanDerWaalsContact O-N 3.08Å; C109-W111 PolarHBondContact O-N 2.79Å
110T96.3Very high96.1Very high7 Ų750.2 Ų50.24%0.04327%0.266CS..G310 helixtrans-75.1-18.3177.5-59.10000112.3L21 R22 D104 F105 R107 P108L21-T110 HydrophobicContact CD2-CG2 4.08Å; R22-T110 PolarHBondContact N-O 3.26Å; D104-T110 PolarHBondContact O-OG1 3.29Å; F105-T110 HydrophobicContact CD1-CG2 4.31Å; F105-T110 HydrophobicContact CD2-CG2 4.37Å; F105-T110 HydrophobicContact CE1-CG2 4.49Å; F105-T110 HydrophobicContact CG-CG2 4.27Å; R107-T110 PolarHBondContact O-N 3.4Å; R107-T110 VanDerWaalsContact O-N 3.13Å; P108-T110 PolarHBondContact O-N 2.92Å
111W97.7Very high96.1Very high12 Ų1246.4 Ų46.45%0.04525%0.248CC..EExtended strand (participates in β ladder)trans-106.6149.6-177.2-6093.4000111L19 K20 L21 R22 F105 P108 C109 F137 I144 L148L19-W111 HydrophobicContact CB-CE3 4.18Å; K20-W111 WeakPolarHBondContact O-CA 3.28Å; L21-W111 HydrophobicContact CD2-CD2 4.38Å; L21-W111 HydrophobicContact CD2-CE3 4.12Å; L21-W111 HydrophobicContact CD2-CH2 3.91Å; L21-W111 HydrophobicContact CD2-CZ2 4.16Å; L21-W111 HydrophobicContact CD2-CZ3 3.89Å; L21-W111 HydrophobicContact CG-CZ3 4.42Å; R22-W111 PolarHBondContact NH2-O 3.35Å; F105-W111 HydrophobicContact CD1-CZ2 4.47Å; F105-W111 PolarHBondContact O-NE1 3.44Å; P108-W111 PolarHBondContact O-N 2.75Å; P108-W111 VanDerWaalsContact O-N 3.08Å; C109-W111 PolarHBondContact O-N 2.79Å; W111-F137 AromaticContact CH2-CE2 3.99Å; W111-F137 HydrophobicContact CH2-CE2 3.99Å; W111-F137 AromaticContact CH2-CZ 3.62Å; W111-F137 HydrophobicContact CH2-CZ 3.62Å; W111-F137 HydrophobicContact CZ2-CE2 4.49Å; W111-F137 AromaticContact CZ2-CZ 3.7Å; W111-F137 HydrophobicContact CZ2-CZ 3.7Å; W111-I144 HydrophobicContact CD2-CG2 4.25Å; W111-I144 HydrophobicContact CG-CG2 3.87Å; W111-I144 HydrophobicContact CZ2-CD1 4.15Å; W111-L148 HydrophobicContact CB-CD1 3.92Å
112Q97.4Very high96.1Very high59 Ų5952 Ų5228%0.27627%0.268SS..EExtended strand (participates in β ladder)trans-122.4126.3171.9177.8176.911.900108.5L19 K20L19-Q112 CarbonylContact C-O 3.56Å; L19-Q112 VanDerWaalsContact CA-O 3.31Å; L19-Q112 WeakPolarHBondContact CA-O 3.42Å; K20-Q112 HydrophobicContact CG-CB 4.17Å; K20-Q112 PolarHBondContact N-O 3.14Å; K20-Q112 PolarHBondContact O-N 3.14Å
113V97.7Very high96.1Very high40 Ų4055.3 Ų55.324%0.24229%0.285CS..EExtended strand (participates in β ladder)trans-68.3132.4169-174.70000108.7L19 A117 L148 L150L19-V113 HydrophobicContact CD2-CB 4.22Å; L19-V113 HydrophobicContact CD2-CG2 3.76Å; V113-A117 HydrophobicContact CG1-CB 4Å; V113-L148 HydrophobicContact CG2-CB 4.49Å; V113-L148 HydrophobicContact CG2-CD1 4.44Å; V113-L148 HydrophobicContact CG2-CD2 4.22Å; V113-L150 HydrophobicContact CG1-CD1 4.24Å; V113-L150 HydrophobicContact CG2-CD1 4.08Å; V113-L150 HydrophobicContact CG2-CG 4.49Å
114L96.1Very high96.2Very high42 Ų4250.6 Ų50.622%0.2226%0.263CS..PPolyproline II helixtrans-69.6145.7176.6-64.1-175.2000110.9L18 K20 G116 A117L18-L114 PolarHBondContact O-N 3.26Å; K20-L114 HydrophobicContact CB-CD2 4.05Å; K20-L114 HydrophobicContact CD-CD2 3.56Å; K20-L114 HydrophobicContact CG-CD2 3.63Å; L114-G116 PolarHBondContact O-N 2.92Å; L114-A117 HydrophobicContact CB-CB 4.4Å; L114-A117 WeakPolarHBondContact O-CB 3.44Å; L114-A117 PolarHBondContact O-N 3.3Å
115D92.8Very high96.3Very high155 Ų15554.9 Ų54.983%0.82928%0.277SS*.THydrogen-bonded Turntrans-58.7130-177.8-64-21.9000110.8A117D115-A117 PolarHBondContact O-N 3.43Å
116G93.1Very high96.4Very high36 Ų3658.3 Ų58.337%0.37130%0.303SS..THydrogen-bonded Turntrans76.2-1.2-178.900000115.5L114 T120L114-G116 PolarHBondContact O-N 2.92Å; G116-T120 WeakPolarHBondContact O-CB 3.5Å; G116-T120 PolarHBondContact O-N 3.27Å; G116-T120 PolarHBondContact O-OG1 3.45Å
117A96.9Very high96.6Very high0 Ų061.8 Ų61.80%031%0.312CS..Hα-helixtrans-63.1-52.417900000112.1L18 V113 L114 D115 D119 T120 L121 L234L18-A117 HydrophobicContact CD2-CB 3.95Å; V113-A117 HydrophobicContact CG1-CB 4Å; L114-A117 HydrophobicContact CB-CB 4.4Å; L114-A117 WeakPolarHBondContact O-CB 3.44Å; L114-A117 PolarHBondContact O-N 3.3Å; D115-A117 PolarHBondContact O-N 3.43Å; A117-D119 PolarHBondContact O-N 3.09Å; A117-T120 PolarHBondContact O-N 2.93Å; A117-L121 WeakPolarHBondContact O-CG 3.36Å; A117-L121 PolarHBondContact O-N 3.13Å; A117-L234 HydrophobicContact CB-CD1 3.86Å
118E97.6Very high96.7Very high61 Ų6158.4 Ų58.429%0.28532%0.318SS..Hα-helixtrans-63.3-41.8-179.1-167.4-178.8178.800112.2T120 L121 R122 L150 H153E118-T120 VanDerWaalsContact C-N 3.33Å; E118-T120 PolarHBondContact O-N 3.32Å; E118-L121 PolarHBondContact O-N 2.61Å; E118-R122 WeakPolarHBondContact O-CG 3.33Å; E118-R122 PolarHBondContact O-N 3.11Å; E118-R122 IonicContact OE1-CZ 2.88Å; E118-R122 VanDerWaalsContact OE1-CZ 3.29Å; E118-R122 IonicContact OE1-NE 3.67Å; E118-R122 IonicContact OE1-NH2 3.42Å; E118-R122 PolarHBondContact OE1-NH2 2.92Å; E118-R122 IonicContact OE2-NH2 2.98Å; E118-L150 HydrophobicContact CB-CD2 4.06Å; E118-L150 HydrophobicContact CG-CD2 3.91Å; E118-H153 IonicContact OE1-NE2 3.97Å
119D97.8Very high97Very high100 Ų10057.2 Ų57.254%0.53531%0.31SS..Hα-helixtrans-64.3-38.9177.3-69.4-28.1000111.6A117 R122 E123A117-D119 PolarHBondContact O-N 3.09Å; D119-R122 PolarHBondContact O-N 3.11Å; D119-R122 IonicContact OD1-NH1 3.29Å; D119-R122 PolarHBondContact OD1-NH1 3.26Å; D119-R122 VanDerWaalsContact OD1-NH1 3.1Å; D119-E123 WeakPolarHBondContact O-CB 3.5Å; D119-E123 PolarHBondContact O-N 3.22Å
120T98.2Very high97.2Very high12 Ų1258.3 Ų58.37%0.07430%0.304CS..Hα-helixtrans-62.6-44173.9-56.50000111W12 G116 A117 E118 R122 E123 C124 L234 L237W12-T120 HydrophobicContact CH2-CG2 4.02Å; G116-T120 WeakPolarHBondContact O-CB 3.5Å; G116-T120 PolarHBondContact O-N 3.27Å; G116-T120 PolarHBondContact O-OG1 3.45Å; A117-T120 PolarHBondContact O-N 2.93Å; E118-T120 VanDerWaalsContact C-N 3.33Å; E118-T120 PolarHBondContact O-N 3.32Å; T120-R122 PolarHBondContact O-N 3.4Å; T120-E123 PolarHBondContact O-N 2.99Å; T120-C124 PolarHBondContact O-N 3.25Å; T120-C124 PolarHBondContact O-SG 3.32Å; T120-L234 HydrophobicContact CG2-CB 4.28Å; T120-L237 HydrophobicContact CG2-CD2 4.12Å
121L98.6Very high97.4Very high0 Ų058 Ų580%030%0.302CS..Hα-helixtrans-62-43176.4-65.2173.1000111.5W12 L18 A117 E118 C124 R125 L131 L150 H153 F154W12-L121 HydrophobicContact CD2-CD2 4.05Å; W12-L121 HydrophobicContact CE3-CD2 4.42Å; W12-L121 HydrophobicContact CH2-CD2 4.13Å; W12-L121 HydrophobicContact CZ2-CD2 3.78Å; W12-L121 HydrophobicContact CZ3-CD2 4.44Å; L18-L121 HydrophobicContact CD1-CD1 4.48Å; L18-L121 HydrophobicContact CD2-CD1 4.26Å; L18-L121 HydrophobicContact CD2-CD2 4.32Å; L18-L121 HydrophobicContact CD2-CG 4.38Å; A117-L121 WeakPolarHBondContact O-CG 3.36Å; A117-L121 PolarHBondContact O-N 3.13Å; E118-L121 PolarHBondContact O-N 2.61Å; L121-C124 PolarHBondContact O-N 3.1Å; L121-R125 WeakPolarHBondContact O-CG 3.35Å; L121-R125 PolarHBondContact O-N 2.58Å; L121-L131 HydrophobicContact CB-CD1 4.24Å; L121-L131 HydrophobicContact CD2-CD1 3.92Å; L121-L150 HydrophobicContact CD1-CD2 4.33Å; L121-H153 HydrophobicContact CB-CB 4.29Å; L121-H153 HydrophobicContact CD1-CB 4.36Å; L121-F154 HydrophobicContact CD1-CE2 4.27Å; L121-F154 HydrophobicContact CD1-CZ 3.8Å; L121-F154 HydrophobicContact CD2-CE1 3.92Å; L121-F154 HydrophobicContact CD2-CZ 3.81Å; L121-F154 HydrophobicContact CG-CZ 4.49Å
122R98.4Very high97.4Very high121 Ų12157.5 Ų57.546%0.45730%0.3SS..Hα-helixtrans-61.8-44.3175.8-72.2176-173.6152.8-5.6111.8E118 D119 T120 R125 S126E118-R122 WeakPolarHBondContact O-CG 3.33Å; E118-R122 PolarHBondContact O-N 3.11Å; E118-R122 IonicContact OE1-CZ 2.88Å; E118-R122 VanDerWaalsContact OE1-CZ 3.29Å; E118-R122 IonicContact OE1-NE 3.67Å; E118-R122 IonicContact OE1-NH2 3.42Å; E118-R122 PolarHBondContact OE1-NH2 2.92Å; E118-R122 IonicContact OE2-NH2 2.98Å; D119-R122 PolarHBondContact O-N 3.11Å; D119-R122 IonicContact OD1-NH1 3.29Å; D119-R122 PolarHBondContact OD1-NH1 3.26Å; D119-R122 VanDerWaalsContact OD1-NH1 3.1Å; T120-R122 PolarHBondContact O-N 3.4Å; R122-R125 PolarHBondContact O-N 2.98Å; R122-S126 PolarHBondContact O-N 2.9Å
123E98.1Very high97.5Very high88 Ų8854.7 Ų54.741%0.41129%0.287SS..Hα-helixtrans-67.6-37.8178.4-166.4-179.9160.900111.8D119 T120 R125 S126 R127 L238D119-E123 WeakPolarHBondContact O-CB 3.5Å; D119-E123 PolarHBondContact O-N 3.22Å; T120-E123 PolarHBondContact O-N 2.99Å; E123-R125 VanDerWaalsContact C-N 3.31Å; E123-R125 PolarHBondContact O-N 2.89Å; E123-S126 PolarHBondContact O-N 2.88Å; E123-S126 PolarHBondContact O-OG 3.44Å; E123-R127 WeakPolarHBondContact O-CG 3.23Å; E123-R127 PolarHBondContact O-N 3.26Å; E123-R127 VanDerWaalsContact O-N 3.13Å; E123-R127 IonicContact OE1-CZ 3.31Å; E123-R127 IonicContact OE1-NE 2.69Å; E123-R127 IonicContact OE1-NH2 3.7Å; E123-R127 PolarHBondContact OE1-NH2 3.45Å; E123-L238 HydrophobicContact CB-CD1 3.8Å; E123-L238 HydrophobicContact CG-CD1 3.44Å; E123-L238 VanDerWaalsContact CG-CD1 3.44Å; E123-L238 WeakPolarHBondContact OE1-CD1 3.25Å; E123-L238 WeakPolarHBondContact OE2-CD1 3.31Å
124C98.2Very high97.5Very high0 Ų052.8 Ų52.80%028%0.275CS..Hα-helixtrans-59.3-44.5172.7-66.70000111.3L10 T120 L121 R127 L129 L131L10-C124 HydrophobicContact CD1-CB 4.13Å; T120-C124 PolarHBondContact O-N 3.25Å; T120-C124 PolarHBondContact O-SG 3.32Å; L121-C124 PolarHBondContact O-N 3.1Å; C124-R127 PolarHBondContact O-N 2.77Å; C124-L129 HydrophobicContact CB-CB 4.49Å; C124-L129 HydrophobicContact CB-CD1 4.02Å; C124-L129 VanDerWaalsContact O-CB 3.3Å; C124-L129 WeakPolarHBondContact O-CB 3.38Å; C124-L129 PolarHBondContact O-N 3.03Å; C124-L131 HydrophobicContact CB-CD1 4.27Å; C124-L131 HydrophobicContact CB-CD2 3.75Å
125R98.2Very high97.7Very high119 Ų11950.9 Ų50.945%0.44927%0.266SS..Hα-helixtrans-65.1-38.1176.6-69.6-178.470.5-158.30.1112.7L121 R122 E123 R127 G128 L131L121-R125 WeakPolarHBondContact O-CG 3.35Å; L121-R125 PolarHBondContact O-N 2.58Å; R122-R125 PolarHBondContact O-N 2.98Å; E123-R125 VanDerWaalsContact C-N 3.31Å; E123-R125 PolarHBondContact O-N 2.89Å; R125-R127 PolarHBondContact O-N 3.31Å; R125-G128 WeakPolarHBondContact O-CA 3.42Å; R125-G128 PolarHBondContact O-N 3.33Å; R125-L131 HydrophobicContact CG-CD1 3.63Å; R125-L131 HydrophobicContact CG-CG 4.09Å
126S97.9Very high97.9Very high96 Ų9646.1 Ų46.167%0.67124%0.24SC*.Hα-helixtrans-66-27178.377.70000112.5R122 E123 G128R122-S126 PolarHBondContact O-N 2.9Å; E123-S126 PolarHBondContact O-N 2.88Å; E123-S126 PolarHBondContact O-OG 3.44Å; S126-G128 PolarHBondContact O-N 3.21Å
127R96.5Very high98.2Very high105 Ų10545.4 Ų45.440%0.39623%0.227SC..THydrogen-bonded Turntrans-76.1-0.2169.6-64.3-176.7-172.1-147.12.3113.9E123 C124 R125 D242E123-R127 WeakPolarHBondContact O-CG 3.23Å; E123-R127 PolarHBondContact O-N 3.26Å; E123-R127 VanDerWaalsContact O-N 3.13Å; E123-R127 IonicContact OE1-CZ 3.31Å; E123-R127 IonicContact OE1-NE 2.69Å; E123-R127 IonicContact OE1-NH2 3.7Å; E123-R127 PolarHBondContact OE1-NH2 3.45Å; C124-R127 PolarHBondContact O-N 2.77Å; R125-R127 PolarHBondContact O-N 3.31Å; R127-D242 IonicContact NH1-OD1 3.48Å; R127-D242 PolarHBondContact NH1-OD1 2.69Å; R127-D242 IonicContact NH1-OD2 2.79Å; R127-D242 PolarHBondContact NH1-OD2 2.77Å; R127-D242 VanDerWaalsContact NH1-OD2 3.14Å; R127-D242 IonicContact NH2-OD2 3.55Å
128G97.5Very high98.2Very high62 Ų6245.4 Ų45.464%0.63923%0.227SC*.THydrogen-bonded Turntrans80.813.5179.900000114.4R125 S126R125-G128 WeakPolarHBondContact O-CA 3.42Å; R125-G128 PolarHBondContact O-N 3.33Å; S126-G128 PolarHBondContact O-N 3.21Å
129L98.3Very high98.1Very high18 Ų1848.4 Ų48.49%0.09424%0.241CC..  trans-73.5135.4175.2-63.5166.5000110.3I7 L10 C124 L131 L241I7-L129 HydrophobicContact CB-CD2 4.41Å; I7-L129 HydrophobicContact CG2-CD2 4.09Å; I7-L129 WeakPolarHBondContact O-CD2 3.27Å; L10-L129 HydrophobicContact CD1-CD1 3.72Å; L10-L129 HydrophobicContact CG-CD1 4.1Å; C124-L129 HydrophobicContact CB-CB 4.49Å; C124-L129 HydrophobicContact CB-CD1 4.02Å; C124-L129 VanDerWaalsContact O-CB 3.3Å; C124-L129 WeakPolarHBondContact O-CB 3.38Å; C124-L129 PolarHBondContact O-N 3.03Å; L129-L131 HydrophobicContact CB-CD2 4.15Å; L129-L241 HydrophobicContact CD1-CD1 4.33Å
130R98.8Very high98.1Very high92 Ų9245 Ų4535%0.34722%0.221SC..EExtended strand (participates in β ladder)trans-77.3141.2164.7-64.3-172.767.6-167-6.2108.6R8 L9 L10 D155 A180R8-R130 PolarHBondContact O-N 3.36Å; L9-R130 WeakPolarHBondContact CA-O 3.24Å; L9-R130 HydrophobicContact CD1-CB 3.96Å; L9-R130 WeakPolarHBondContact CD1-O 3.22Å; L10-R130 PolarHBondContact N-O 3.43Å; R130-D155 WeakPolarHBondContact CB-OD2 3.42Å; R130-D155 IonicContact CZ-OD2 2.61Å; R130-D155 IonicContact NE-OD2 3.58Å; R130-D155 PolarHBondContact NE-OD2 2.98Å; R130-D155 IonicContact NH2-OD2 3.6Å; R130-D155 PolarHBondContact NH2-OD2 3.41Å; R130-A180 PolarHBondContact NH1-O 2.91Å
131L98.9Very high98.1Very high1 Ų144.5 Ų44.51%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-121142179.6-46-178.6000109.9L10 L121 C124 R125 L129 H153 F154 D155L10-L131 HydrophobicContact CB-CD2 3.84Å; L10-L131 HydrophobicContact CD1-CD2 4.18Å; L10-L131 HydrophobicContact CG-CD2 4.37Å; L10-L131 CarbonylContact O-C 3.49Å; L10-L131 VanDerWaalsContact O-CA 3.3Å; L10-L131 WeakPolarHBondContact O-CA 3.35Å; L121-L131 HydrophobicContact CB-CD1 4.24Å; L121-L131 HydrophobicContact CD2-CD1 3.92Å; C124-L131 HydrophobicContact CB-CD1 4.27Å; C124-L131 HydrophobicContact CB-CD2 3.75Å; R125-L131 HydrophobicContact CG-CD1 3.63Å; R125-L131 HydrophobicContact CG-CG 4.09Å; L129-L131 HydrophobicContact CB-CD2 4.15Å; L131-H153 WeakPolarHBondContact CB-O 3.15Å; L131-H153 HydrophobicContact CD1-CB 4.31Å; L131-F154 HydrophobicContact CB-CD1 3.73Å; L131-F154 HydrophobicContact CB-CE1 4.12Å; L131-F154 CarbonylContact O-C 3.53Å; L131-F154 WeakPolarHBondContact O-CA 3.47Å; L131-D155 PolarHBondContact O-N 3.38Å
132A98.9Very high98Very high0 Ų048.3 Ų48.30%024%0.235CC..EExtended strand (participates in β ladder)trans-144.9162.6171.400000111L9 L10 T11 W12 F156L9-A132 HydrophobicContact CD1-CB 4.34Å; L10-A132 PolarHBondContact O-N 3.16Å; T11-A132 CarbonylContact C-O 3.52Å; T11-A132 VanDerWaalsContact CA-O 3.23Å; T11-A132 WeakPolarHBondContact CA-O 3.33Å; T11-A132 HydrophobicContact CG2-CB 4.42Å; W12-A132 PolarHBondContact N-O 3Å; A132-F156 WeakPolarHBondContact CA-O 3.39Å; A132-F156 HydrophobicContact CB-CD1 3.96Å; A132-F156 HydrophobicContact CB-CD2 3.94Å; A132-F156 HydrophobicContact CB-CE1 3.62Å; A132-F156 HydrophobicContact CB-CE2 3.59Å; A132-F156 HydrophobicContact CB-CG 4.12Å; A132-F156 HydrophobicContact CB-CZ 3.42Å; A132-F156 VanDerWaalsContact CB-CZ 3.42Å
133V98.9Very high98Very high0 Ų044.9 Ų44.90%024%0.237CC..EExtended strand (participates in β ladder)trans-103.8138.6175169.60000110.5W12 V14 L141 L145 F154 F156 V157 L158W12-V133 CarbonylContact O-C 3.54Å; W12-V133 WeakPolarHBondContact O-CA 3.28Å; V14-V133 HydrophobicContact CG2-CB 4.48Å; V14-V133 HydrophobicContact CG2-CG1 3.53Å; V14-V133 HydrophobicContact CG2-CG2 4.08Å; V133-L141 HydrophobicContact CG1-CD2 3.87Å; V133-L145 HydrophobicContact CG2-CD1 4.1Å; V133-F154 HydrophobicContact CG2-CD1 3.78Å; V133-F154 HydrophobicContact CG2-CD2 3.9Å; V133-F154 HydrophobicContact CG2-CE1 3.79Å; V133-F154 HydrophobicContact CG2-CE2 3.92Å; V133-F154 HydrophobicContact CG2-CG 3.83Å; V133-F154 HydrophobicContact CG2-CZ 3.86Å; V133-F156 PolarHBondContact N-O 3.39Å; V133-V157 HydrophobicContact CB-CB 4.25Å; V133-V157 HydrophobicContact CB-CG1 4Å; V133-V157 HydrophobicContact CB-CG2 4.14Å; V133-V157 HydrophobicContact CG1-CG1 3.9Å; V133-V157 HydrophobicContact CG2-CG2 4.29Å; V133-L158 WeakPolarHBondContact O-CB 3.38Å; V133-L158 PolarHBondContact O-N 2.86Å
134I98.8Very high98Very high0 Ų040.7 Ų40.70%022%0.218CC..EExtended strand (participates in β ladder)trans-130.7107.9166.1-53.6176000107.6T11 W12 L158 K167 I172 F173 A176T11-I134 HydrophobicContact CG2-CD1 3.79Å; T11-I134 HydrophobicContact CG2-CG1 4.23Å; W12-I134 PolarHBondContact O-N 2.75Å; I134-L158 WeakPolarHBondContact CA-O 3.38Å; I134-K167 HydrophobicContact CG2-CD 3.91Å; I134-K167 HydrophobicContact CG2-CG 4.08Å; I134-K167 WeakPolarHBondContact O-CE 3.46Å; I134-K167 PolarHBondContact O-NZ 2.69Å; I134-I172 HydrophobicContact CG2-CD1 3.63Å; I134-I172 HydrophobicContact CG2-CG1 3.85Å; I134-I172 HydrophobicContact CG2-CG2 4.13Å; I134-F173 HydrophobicContact CD1-CD1 3.84Å; I134-F173 HydrophobicContact CD1-CE1 4.35Å; I134-F173 HydrophobicContact CG2-CD1 4.44Å; I134-F173 HydrophobicContact CG2-CE1 4.26Å; I134-A176 HydrophobicContact CD1-CB 3.35Å; I134-A176 HydrophobicContact CG1-CB 3.79Å
135S98.6Very high98Very high2 Ų240.7 Ų40.71%0.01422%0.218CC..EExtended strand (participates in β ladder)trans-137141.8-173.5-165.50000113D13 F137 L158 T159 S160D13-S135 VanDerWaalsContact OD1-CB 3.31Å; D13-S135 WeakPolarHBondContact OD1-CB 3.3Å; D13-S135 PolarHBondContact OD1-OG 2.88Å; S135-F137 PolarHBondContact O-N 3.45Å; S135-L158 PolarHBondContact N-O 3.11Å; S135-T159 CarbonylContact O-C 3.57Å; S135-T159 WeakPolarHBondContact O-CA 3.43Å; S135-S160 PolarHBondContact O-N 2.92Å
136N98.4Very high98Very high55 Ų5537 Ų3729%0.29422%0.216SC..SBendtrans-76.969.7166.4-75.1-5.1000108.8Y63 P166 K167Y63-N136 PolarHBondContact OH-O 2.98Å; Y63-N136 VanDerWaalsContact OH-O 3.09Å; N136-P166 VanDerWaalsContact OD1-CA 3.29Å; N136-P166 WeakPolarHBondContact OD1-CA 3.35Å; N136-P166 WeakPolarHBondContact OD1-CB 3.39Å; N136-K167 PolarHBondContact ND2-O 3.48Å; N136-K167 PolarHBondContact OD1-N 2.84Å
137F98.1Very high98Very high21 Ų2134.8 Ų34.89%0.09221%0.209CC..  trans-129.1161.5-178.2-135.5-77.5000109.6Y63 W111 S135 L141 I144 T159Y63-F137 WeakPolarHBondContact CE2-O 3.49Å; Y63-F137 WeakPolarHBondContact OH-CA 3.35Å; Y63-F137 PolarHBondContact OH-N 2.91Å; W111-F137 AromaticContact CH2-CE2 3.99Å; W111-F137 HydrophobicContact CH2-CE2 3.99Å; W111-F137 AromaticContact CH2-CZ 3.62Å; W111-F137 HydrophobicContact CH2-CZ 3.62Å; W111-F137 HydrophobicContact CZ2-CE2 4.49Å; W111-F137 AromaticContact CZ2-CZ 3.7Å; W111-F137 HydrophobicContact CZ2-CZ 3.7Å; S135-F137 PolarHBondContact O-N 3.45Å; F137-L141 HydrophobicContact CB-CB 4.05Å; F137-L141 HydrophobicContact CB-CD2 3.76Å; F137-L141 HydrophobicContact CB-CG 4.36Å; F137-L141 HydrophobicContact CD1-CB 3.78Å; F137-L141 HydrophobicContact CD1-CD1 4.32Å; F137-L141 HydrophobicContact CD2-CD1 3.99Å; F137-L141 HydrophobicContact CD2-CD2 4.41Å; F137-L141 HydrophobicContact CE1-CB 4.43Å; F137-L141 HydrophobicContact CE2-CD1 4.17Å; F137-L141 HydrophobicContact CG-CB 3.94Å; F137-L141 HydrophobicContact CG-CD1 4.06Å; F137-L141 HydrophobicContact CG-CD2 4.1Å; F137-L141 HydrophobicContact CG-CG 4.26Å; F137-L141 HydrophobicContact CZ-CD1 4.43Å; F137-I144 HydrophobicContact CE1-CD1 4.01Å; F137-I144 HydrophobicContact CZ-CD1 4.18Å; F137-T159 HydrophobicContact CB-CG2 4.44Å; F137-T159 VanDerWaalsContact O-CB 3.31Å; F137-T159 WeakPolarHBondContact O-CB 3.49Å
138D97.2Very high98.1Very high0 Ų031.5 Ų31.50%020%0.2CC..  trans-85.8178.8168.26265.8000111.9Y63 W75 R140 L141 E161Y63-D138 HydrophobicContact CD1-CB 4.45Å; Y63-D138 HydrophobicContact CD2-CB 4.4Å; Y63-D138 HydrophobicContact CE1-CB 4.2Å; Y63-D138 HydrophobicContact CE2-CB 4.14Å; Y63-D138 PolarHBondContact OH-N 3.34Å; W75-D138 PolarHBondContact NE1-OD2 3.17Å; D138-R140 PolarHBondContact O-N 3.36Å; D138-R140 WeakPolarHBondContact OD1-CB 3.27Å; D138-R140 VanDerWaalsContact OD1-CG 3.23Å; D138-R140 WeakPolarHBondContact OD1-CG 3.38Å; D138-R140 IonicContact OD1-CZ 3.29Å; D138-R140 PolarHBondContact OD1-N 3Å; D138-R140 IonicContact OD1-NE 3.97Å; D138-R140 PolarHBondContact OD1-NE 3Å; D138-R140 IonicContact OD1-NH2 3.16Å; D138-R140 IonicContact OD2-CZ 2.65Å; D138-R140 IonicContact OD2-NE 2.72Å; D138-R140 PolarHBondContact OD2-NE 3.37Å; D138-R140 IonicContact OD2-NH2 3.97Å; D138-R140 PolarHBondContact OD2-NH2 2.82Å; D138-L141 PolarHBondContact O-N 2.85Å; D138-E161 WeakPolarHBondContact CA-OE2 3.47Å; D138-E161 WeakPolarHBondContact CB-OE2 3.17Å
139Q95.7Very high98.1Very high124 Ų12429.9 Ų29.958%0.57918%0.183SC*.THydrogen-bonded Turntrans-57.1-15.8-17662.1178.90.400115L141 E161Q139-L141 PolarHBondContact O-N 3.26Å; Q139-E161 PolarHBondContact N-OE2 2.84Å
140R97.6Very high98.1Very high29 Ų2929 Ų2911%0.10918%0.178CC..THydrogen-bonded Turntrans-69.8-20.3-179.8-63.7174.5-72.6171.96.5113.1W75 Y102 S106 D138 E142 G143 I144W75-R140 VanDerWaalsContact CD1-NH2 3.28Å; Y102-R140 PolarHBondContact O-NH1 3.12Å; S106-R140 WeakPolarHBondContact OG-CD 3.07Å; D138-R140 PolarHBondContact O-N 3.36Å; D138-R140 WeakPolarHBondContact OD1-CB 3.27Å; D138-R140 VanDerWaalsContact OD1-CG 3.23Å; D138-R140 WeakPolarHBondContact OD1-CG 3.38Å; D138-R140 IonicContact OD1-CZ 3.29Å; D138-R140 PolarHBondContact OD1-N 3Å; D138-R140 IonicContact OD1-NE 3.97Å; D138-R140 PolarHBondContact OD1-NE 3Å; D138-R140 IonicContact OD1-NH2 3.16Å; D138-R140 IonicContact OD2-CZ 2.65Å; D138-R140 IonicContact OD2-NE 2.72Å; D138-R140 PolarHBondContact OD2-NE 3.37Å; D138-R140 IonicContact OD2-NH2 3.97Å; D138-R140 PolarHBondContact OD2-NH2 2.82Å; R140-E142 PolarHBondContact O-N 2.79Å; R140-G143 PolarHBondContact O-N 2.86Å; R140-G143 VanDerWaalsContact O-N 3.16Å; R140-I144 HydrophobicContact CB-CD1 4.09Å; R140-I144 WeakPolarHBondContact O-CG1 3.21Å; R140-I144 PolarHBondContact O-N 3.06Å; R140-I144 VanDerWaalsContact O-N 3.11Å
141L98.1Very high98.1Very high1 Ų127.6 Ų27.61%0.00517%0.173CC..Hα-helixtrans-56.6-43.3-171.8-175.359.6000113.8V14 V133 F137 D138 Q139 G143 I144 L145 V157 T159V14-L141 HydrophobicContact CB-CD1 4.18Å; V14-L141 HydrophobicContact CG1-CD1 4Å; V14-L141 HydrophobicContact CG2-CD1 4.15Å; V14-L141 HydrophobicContact CG2-CD2 4.05Å; V133-L141 HydrophobicContact CG1-CD2 3.87Å; F137-L141 HydrophobicContact CB-CB 4.05Å; F137-L141 HydrophobicContact CB-CD2 3.76Å; F137-L141 HydrophobicContact CB-CG 4.36Å; F137-L141 HydrophobicContact CD1-CB 3.78Å; F137-L141 HydrophobicContact CD1-CD1 4.32Å; F137-L141 HydrophobicContact CD2-CD1 3.99Å; F137-L141 HydrophobicContact CD2-CD2 4.41Å; F137-L141 HydrophobicContact CE1-CB 4.43Å; F137-L141 HydrophobicContact CE2-CD1 4.17Å; F137-L141 HydrophobicContact CG-CB 3.94Å; F137-L141 HydrophobicContact CG-CD1 4.06Å; F137-L141 HydrophobicContact CG-CD2 4.1Å; F137-L141 HydrophobicContact CG-CG 4.26Å; F137-L141 HydrophobicContact CZ-CD1 4.43Å; D138-L141 PolarHBondContact O-N 2.85Å; Q139-L141 PolarHBondContact O-N 3.26Å; L141-G143 VanDerWaalsContact C-N 3.31Å; L141-G143 PolarHBondContact O-N 2.73Å; L141-I144 PolarHBondContact O-N 2.78Å; L141-L145 HydrophobicContact CD1-CD1 4.31Å; L141-L145 HydrophobicContact CD1-CG 4.19Å; L141-L145 HydrophobicContact CG-CD1 4.06Å; L141-L145 HydrophobicContact CG-CG 4.37Å; L141-L145 WeakPolarHBondContact O-CG 3.06Å; L141-L145 PolarHBondContact O-N 3.49Å; L141-V157 HydrophobicContact CD2-CG1 3.85Å; L141-V157 HydrophobicContact CG-CG1 4.12Å; L141-T159 HydrophobicContact CB-CG2 4.05Å; L141-T159 HydrophobicContact CD2-CG2 4.04Å
142E97.6Very high98Very high80 Ų8033.9 Ų33.937%0.37420%0.202SC..Hα-helixtrans-55.7-46.7179.4-177.382.1173.200111R140 L145 G146 R151 V157R140-E142 PolarHBondContact O-N 2.79Å; E142-L145 PolarHBondContact O-N 2.85Å; E142-G146 PolarHBondContact O-N 2.85Å; E142-R151 IonicContact OE1-CZ 3.83Å; E142-R151 VanDerWaalsContact OE1-CZ 3.29Å; E142-R151 IonicContact OE1-NE 2.89Å; E142-R151 PolarHBondContact OE1-NE 3.4Å; E142-R151 IonicContact OE1-NH2 3.7Å; E142-R151 PolarHBondContact OE1-NH2 3.44Å; E142-R151 IonicContact OE2-CZ 3.1Å; E142-R151 IonicContact OE2-NE 2.58Å; E142-R151 PolarHBondContact OE2-NE 3.4Å; E142-R151 IonicContact OE2-NH2 3.66Å; E142-V157 WeakPolarHBondContact OE2-CB 3.47Å; E142-V157 WeakPolarHBondContact OE2-CG2 3.22Å
143G97.6Very high98Very high49 Ų4934.2 Ų34.251%0.50520%0.204SC..Hα-helixtrans-68.5-38.8179.600000113R140 L141 G146 G147R140-G143 PolarHBondContact O-N 2.86Å; R140-G143 VanDerWaalsContact O-N 3.16Å; L141-G143 VanDerWaalsContact C-N 3.31Å; L141-G143 PolarHBondContact O-N 2.73Å; G143-G146 PolarHBondContact O-N 3.15Å; G143-G147 PolarHBondContact O-N 3.46Å
144I98.3Very high98Very high1 Ų134.5 Ų34.51%0.00521%0.205CC..Hα-helixtrans-60.6-49.6175.1-68.2161.4000110.1L19 F105 W111 F137 R140 L141 G146 G147 L148L19-I144 HydrophobicContact CD1-CG2 3.97Å; F105-I144 WeakPolarHBondContact O-CD1 3.36Å; W111-I144 HydrophobicContact CD2-CG2 4.25Å; W111-I144 HydrophobicContact CG-CG2 3.87Å; W111-I144 HydrophobicContact CZ2-CD1 4.15Å; F137-I144 HydrophobicContact CE1-CD1 4.01Å; F137-I144 HydrophobicContact CZ-CD1 4.18Å; R140-I144 HydrophobicContact CB-CD1 4.09Å; R140-I144 WeakPolarHBondContact O-CG1 3.21Å; R140-I144 PolarHBondContact O-N 3.06Å; R140-I144 VanDerWaalsContact O-N 3.11Å; L141-I144 PolarHBondContact O-N 2.78Å; I144-G146 VanDerWaalsContact C-N 3.29Å; I144-G146 PolarHBondContact O-N 3.12Å; I144-G147 PolarHBondContact O-N 2.97Å; I144-L148 HydrophobicContact CG2-CD1 3.94Å; I144-L148 WeakPolarHBondContact O-CB 3.35Å; I144-L148 WeakPolarHBondContact O-CG 3.48Å; I144-L148 PolarHBondContact O-N 3.15Å; I144-L148 VanDerWaalsContact O-N 3.13Å
145L98.5Very high98Very high0 Ų038.1 Ų38.10%022%0.224CC..Hα-helixtrans-62.1-37.8176.7-68.1173.5000111.8V14 L19 V133 L141 E142 L148 G149 L150 R151 V157V14-L145 HydrophobicContact CG1-CD2 4.06Å; L19-L145 HydrophobicContact CD1-CD2 4.17Å; V133-L145 HydrophobicContact CG2-CD1 4.1Å; L141-L145 HydrophobicContact CD1-CD1 4.31Å; L141-L145 HydrophobicContact CD1-CG 4.19Å; L141-L145 HydrophobicContact CG-CD1 4.06Å; L141-L145 HydrophobicContact CG-CG 4.37Å; L141-L145 WeakPolarHBondContact O-CG 3.06Å; L141-L145 PolarHBondContact O-N 3.49Å; E142-L145 PolarHBondContact O-N 2.85Å; L145-L148 PolarHBondContact O-N 3.06Å; L145-G149 PolarHBondContact O-N 3.07Å; L145-L150 HydrophobicContact CD2-CB 4.08Å; L145-L150 HydrophobicContact CD2-CD1 4.32Å; L145-L150 PolarHBondContact O-N 3.46Å; L145-R151 HydrophobicContact CB-CB 4.04Å; L145-R151 PolarHBondContact O-N 3.12Å; L145-R151 VanDerWaalsContact O-N 3.09Å; L145-V157 HydrophobicContact CD1-CG1 4.31Å; L145-V157 HydrophobicContact CD1-CG2 3.78Å
146G98.3Very high98Very high40 Ų4039.4 Ų39.441%0.41223%0.23SC..Hα-helixtrans-63.1-50177.800000112.4E142 G143 I144 L148 G149E142-G146 PolarHBondContact O-N 2.85Å; G143-G146 PolarHBondContact O-N 3.15Å; I144-G146 VanDerWaalsContact C-N 3.29Å; I144-G146 PolarHBondContact O-N 3.12Å; G146-L148 PolarHBondContact O-N 3.07Å; G146-G149 PolarHBondContact O-N 3.27Å; G146-G149 VanDerWaalsContact O-N 3.09Å
147G97.8Very high98.1Very high51 Ų5137.9 Ų37.953%0.52622%0.223SC..Hα-helixtrans-73-14.4-179.600000114.5P108 G143 I144P108-G147 VanDerWaalsContact CG-CA 3.42Å; P108-G147 WeakPolarHBondContact CG-O 3.33Å; G143-G147 PolarHBondContact O-N 3.46Å; I144-G147 PolarHBondContact O-N 2.97Å
148L97.7Very high98.1Very high36 Ų3637.5 Ų37.519%0.18822%0.221CC..THydrogen-bonded Turntrans-91-1.6170.2-71.1171.2000113.6L19 P108 W111 V113 I144 L145 G146 L150L19-L148 HydrophobicContact CD1-CD1 3.58Å; L19-L148 HydrophobicContact CD2-CD1 3.57Å; L19-L148 HydrophobicContact CG-CD1 4.25Å; P108-L148 HydrophobicContact CB-CD2 3.81Å; P108-L148 HydrophobicContact CB-CG 3.97Å; W111-L148 HydrophobicContact CB-CD1 3.92Å; V113-L148 HydrophobicContact CG2-CB 4.49Å; V113-L148 HydrophobicContact CG2-CD1 4.44Å; V113-L148 HydrophobicContact CG2-CD2 4.22Å; I144-L148 HydrophobicContact CG2-CD1 3.94Å; I144-L148 WeakPolarHBondContact O-CB 3.35Å; I144-L148 WeakPolarHBondContact O-CG 3.48Å; I144-L148 PolarHBondContact O-N 3.15Å; I144-L148 VanDerWaalsContact O-N 3.13Å; L145-L148 PolarHBondContact O-N 3.06Å; G146-L148 PolarHBondContact O-N 3.07Å; L148-L150 HydrophobicContact CB-CG 4.33Å; L148-L150 PolarHBondContact O-N 2.68Å
149G97.8Very high98.2Very high28 Ų2838 Ų3829%0.28922%0.224SC..THydrogen-bonded Turntrans72.78.4-176.900000114.5L145 G146L145-G149 PolarHBondContact O-N 3.07Å; G146-G149 PolarHBondContact O-N 3.27Å; G146-G149 VanDerWaalsContact O-N 3.09Å
150L98.4Very high98.3Very high0 Ų032.1 Ų32.10%020%0.197CC..  trans-88.1-21.5-179.1-63.4-174.7000113.2L19 V113 E118 L121 L145 L148 E152 H153 F154L19-L150 HydrophobicContact CD2-CD1 3.67Å; V113-L150 HydrophobicContact CG1-CD1 4.24Å; V113-L150 HydrophobicContact CG2-CD1 4.08Å; V113-L150 HydrophobicContact CG2-CG 4.49Å; E118-L150 HydrophobicContact CB-CD2 4.06Å; E118-L150 HydrophobicContact CG-CD2 3.91Å; L121-L150 HydrophobicContact CD1-CD2 4.33Å; L145-L150 HydrophobicContact CD2-CB 4.08Å; L145-L150 HydrophobicContact CD2-CD1 4.32Å; L145-L150 PolarHBondContact O-N 3.46Å; L148-L150 HydrophobicContact CB-CG 4.33Å; L148-L150 PolarHBondContact O-N 2.68Å; L150-E152 PolarHBondContact O-N 3.47Å; L150-E152 VanDerWaalsContact O-N 3.17Å; L150-H153 PolarHBondContact O-CD2 2.85Å; L150-H153 PolarHBondContact O-N 3.27Å; L150-H153 VanDerWaalsContact O-N 3.16Å; L150-F154 WeakPolarHBondContact O-CD2 3.23Å; L150-F154 WeakPolarHBondContact O-CE2 3.2Å
151R98.5Very high98.3Very high61 Ų6132.3 Ų32.323%0.2320%0.199CC..G310 helixtrans-59.2-32.1-173.8179.555.9-172.379.1-0.2113.2E142 L145 H153 F154E142-R151 IonicContact OE1-CZ 3.83Å; E142-R151 VanDerWaalsContact OE1-CZ 3.29Å; E142-R151 IonicContact OE1-NE 2.89Å; E142-R151 PolarHBondContact OE1-NE 3.4Å; E142-R151 IonicContact OE1-NH2 3.7Å; E142-R151 PolarHBondContact OE1-NH2 3.44Å; E142-R151 IonicContact OE2-CZ 3.1Å; E142-R151 IonicContact OE2-NE 2.58Å; E142-R151 PolarHBondContact OE2-NE 3.4Å; E142-R151 IonicContact OE2-NH2 3.66Å; L145-R151 HydrophobicContact CB-CB 4.04Å; L145-R151 PolarHBondContact O-N 3.12Å; L145-R151 VanDerWaalsContact O-N 3.09Å; R151-H153 PolarHBondContact O-N 3.15Å; R151-F154 PolarHBondContact NH1-O 2.98Å; R151-F154 PolarHBondContact O-N 3.33Å
152E98.2Very high98.3Very high134 Ų13435.8 Ų35.863%0.62623%0.228SC*.G310 helixtrans-65.8-15.8-178.464.717599.300114.4L150 F154L150-E152 PolarHBondContact O-N 3.47Å; L150-E152 VanDerWaalsContact O-N 3.17Å; E152-F154 VanDerWaalsContact C-N 3.35Å
153H98.7Very high98.3Very high6 Ų633.5 Ų33.53%0.02822%0.22CC..G310 helixtrans-79.1-21177.9-63.1-69.2000113.2E118 L121 L131 L150 R151E118-H153 IonicContact OE1-NE2 3.97Å; L121-H153 HydrophobicContact CB-CB 4.29Å; L121-H153 HydrophobicContact CD1-CB 4.36Å; L131-H153 WeakPolarHBondContact CB-O 3.15Å; L131-H153 HydrophobicContact CD1-CB 4.31Å; L150-H153 PolarHBondContact O-CD2 2.85Å; L150-H153 PolarHBondContact O-N 3.27Å; L150-H153 VanDerWaalsContact O-N 3.16Å; R151-H153 PolarHBondContact O-N 3.15Å
154F98.8Very high98.3Very high7 Ų732.8 Ų32.83%0.03121%0.212CC..  trans-106.8139.5-169.4-56.2-71.8000112W12 L18 L121 L131 V133 L150 R151 E152W12-F154 HydrophobicContact CB-CE1 4.3Å; W12-F154 AromaticContact CD1-CE1 3.8Å; W12-F154 HydrophobicContact CG-CE1 4.07Å; L18-F154 HydrophobicContact CD1-CE2 4.48Å; L18-F154 HydrophobicContact CD1-CZ 3.73Å; L121-F154 HydrophobicContact CD1-CE2 4.27Å; L121-F154 HydrophobicContact CD1-CZ 3.8Å; L121-F154 HydrophobicContact CD2-CE1 3.92Å; L121-F154 HydrophobicContact CD2-CZ 3.81Å; L121-F154 HydrophobicContact CG-CZ 4.49Å; L131-F154 HydrophobicContact CB-CD1 3.73Å; L131-F154 HydrophobicContact CB-CE1 4.12Å; L131-F154 CarbonylContact O-C 3.53Å; L131-F154 WeakPolarHBondContact O-CA 3.47Å; V133-F154 HydrophobicContact CG2-CD1 3.78Å; V133-F154 HydrophobicContact CG2-CD2 3.9Å; V133-F154 HydrophobicContact CG2-CE1 3.79Å; V133-F154 HydrophobicContact CG2-CE2 3.92Å; V133-F154 HydrophobicContact CG2-CG 3.83Å; V133-F154 HydrophobicContact CG2-CZ 3.86Å; L150-F154 WeakPolarHBondContact O-CD2 3.23Å; L150-F154 WeakPolarHBondContact O-CE2 3.2Å; R151-F154 PolarHBondContact NH1-O 2.98Å; R151-F154 PolarHBondContact O-N 3.33Å; E152-F154 VanDerWaalsContact C-N 3.35Å
155D98.8Very high98.3Very high75 Ų7538 Ų3840%0.40123%0.232SC..SBendtrans-70-38.6173.9-65.9-18.8000111R130 L131R130-D155 WeakPolarHBondContact CB-OD2 3.42Å; R130-D155 IonicContact CZ-OD2 2.61Å; R130-D155 IonicContact NE-OD2 3.58Å; R130-D155 PolarHBondContact NE-OD2 2.98Å; R130-D155 IonicContact NH2-OD2 3.6Å; R130-D155 PolarHBondContact NH2-OD2 3.41Å; L131-D155 PolarHBondContact O-N 3.38Å
156F98.8Very high98.3Very high29 Ų2940 Ų4013%0.12725%0.245CC..  trans-153.2160.9175.261.9-93.4000111.6A132 V133 L158 A176 L179 A180A132-F156 WeakPolarHBondContact CA-O 3.39Å; A132-F156 HydrophobicContact CB-CD1 3.96Å; A132-F156 HydrophobicContact CB-CD2 3.94Å; A132-F156 HydrophobicContact CB-CE1 3.62Å; A132-F156 HydrophobicContact CB-CE2 3.59Å; A132-F156 HydrophobicContact CB-CG 4.12Å; A132-F156 HydrophobicContact CB-CZ 3.42Å; A132-F156 VanDerWaalsContact CB-CZ 3.42Å; V133-F156 PolarHBondContact N-O 3.39Å; F156-L158 HydrophobicContact CD2-CB 4.1Å; F156-L158 HydrophobicContact CE2-CB 4.09Å; F156-A176 HydrophobicContact CE2-CB 4.14Å; F156-A176 HydrophobicContact CZ-CB 4.2Å; F156-A176 WeakPolarHBondContact CZ-O 3.33Å; F156-L179 HydrophobicContact CD1-CB 4.27Å; F156-L179 HydrophobicContact CD2-CD1 4.1Å; F156-L179 HydrophobicContact CE1-CB 3.91Å; F156-L179 HydrophobicContact CE2-CB 4.31Å; F156-L179 HydrophobicContact CE2-CD1 4.11Å; F156-L179 HydrophobicContact CZ-CB 3.93Å; F156-A180 HydrophobicContact CE1-CB 4.01Å; F156-A180 HydrophobicContact CZ-CB 4.31Å
157V98.8Very high98.3Very high24 Ų2438.3 Ų38.315%0.14523%0.226CC..EExtended strand (participates in β ladder)trans-118.2119.5171.7177.70000108.3V133 L141 E142 L145 T159V133-V157 HydrophobicContact CB-CB 4.25Å; V133-V157 HydrophobicContact CB-CG1 4Å; V133-V157 HydrophobicContact CB-CG2 4.14Å; V133-V157 HydrophobicContact CG1-CG1 3.9Å; V133-V157 HydrophobicContact CG2-CG2 4.29Å; L141-V157 HydrophobicContact CD2-CG1 3.85Å; L141-V157 HydrophobicContact CG-CG1 4.12Å; E142-V157 WeakPolarHBondContact OE2-CB 3.47Å; E142-V157 WeakPolarHBondContact OE2-CG2 3.22Å; L145-V157 HydrophobicContact CD1-CG1 4.31Å; L145-V157 HydrophobicContact CD1-CG2 3.78Å; V157-T159 HydrophobicContact CG1-CG2 4.18Å
158L98.8Very high98.3Very high12 Ų1238.3 Ų38.36%0.06322%0.217CC..EExtended strand (participates in β ladder)trans-111.7110-179.2-164.166000109.8V133 I134 S135 F156 V163 I172 E175 A176 L179V133-L158 WeakPolarHBondContact O-CB 3.38Å; V133-L158 PolarHBondContact O-N 2.86Å; I134-L158 WeakPolarHBondContact CA-O 3.38Å; S135-L158 PolarHBondContact N-O 3.11Å; F156-L158 HydrophobicContact CD2-CB 4.1Å; F156-L158 HydrophobicContact CE2-CB 4.09Å; L158-V163 HydrophobicContact CD1-CG2 3.29Å; L158-V163 HydrophobicContact CD2-CG2 3.76Å; L158-V163 HydrophobicContact CG-CG2 3.41Å; L158-V163 VanDerWaalsContact CG-CG2 3.41Å; L158-I172 HydrophobicContact CD2-CG1 4.23Å; L158-I172 WeakPolarHBondContact CD2-O 3.27Å; L158-E175 HydrophobicContact CD1-CG 4.26Å; L158-E175 HydrophobicContact CD2-CB 4.16Å; L158-E175 HydrophobicContact CD2-CG 4.05Å; L158-A176 HydrophobicContact CD2-CB 3.72Å; L158-L179 HydrophobicContact CD1-CD1 3.79Å; L158-L179 HydrophobicContact CD2-CD1 4.39Å
159T98.8Very high98.3Very high11 Ų1138.3 Ų38.37%0.06722%0.217CC..EExtended strand (participates in β ladder)trans-97.8154.2178.666.90000111.1S135 F137 L141 V157 E161 A162 V163S135-T159 CarbonylContact O-C 3.57Å; S135-T159 WeakPolarHBondContact O-CA 3.43Å; F137-T159 HydrophobicContact CB-CG2 4.44Å; F137-T159 VanDerWaalsContact O-CB 3.31Å; F137-T159 WeakPolarHBondContact O-CB 3.49Å; L141-T159 HydrophobicContact CB-CG2 4.05Å; L141-T159 HydrophobicContact CD2-CG2 4.04Å; V157-T159 HydrophobicContact CG1-CG2 4.18Å; T159-E161 PolarHBondContact O-N 3.13Å; T159-A162 PolarHBondContact O-N 3.41Å; T159-A162 VanDerWaalsContact O-N 3.12Å; T159-A162 WeakPolarHBondContact OG1-CB 3.46Å; T159-A162 PolarHBondContact OG1-N 2.93Å; T159-A162 VanDerWaalsContact OG1-N 3.1Å; T159-V163 PolarHBondContact O-N 2.96Å; T159-V163 VanDerWaalsContact O-N 3.13Å
160S98.4Very high98.4Very high1 Ų139.7 Ų39.71%0.00722%0.221CC..Hα-helixtrans-62.6-28.6173.865.70000112.4N62 S135 G164 W165 P166N62-S160 PolarHBondContact ND2-O 3.08Å; N62-S160 VanDerWaalsContact OD1-CB 3.29Å; N62-S160 WeakPolarHBondContact OD1-CB 3.5Å; N62-S160 PolarHBondContact OD1-OG 3.26Å; S135-S160 PolarHBondContact O-N 2.92Å; S160-G164 CarbonylContact O-C 3.57Å; S160-G164 VanDerWaalsContact O-CA 3.32Å; S160-G164 WeakPolarHBondContact O-CA 3.36Å; S160-G164 PolarHBondContact O-N 2.88Å; S160-W165 PolarHBondContact O-N 3.33Å; S160-P166 VanDerWaalsContact CB-CA 3.48Å
161E98.3Very high98.4Very high32 Ų3244.4 Ų44.415%0.1524%0.238CC..Hα-helixtrans-64.7-46170.7173.9164.7-155.900111.9Y63 L65 S71 D138 Q139 T159 V163 G164Y63-E161 HydrophobicContact CD2-CB 4.07Å; Y63-E161 HydrophobicContact CE2-CB 4.31Å; L65-E161 HydrophobicContact CD1-CB 3.96Å; L65-E161 HydrophobicContact CD1-CG 3.77Å; L65-E161 HydrophobicContact CD2-CG 4.13Å; S71-E161 VanDerWaalsContact CB-OE1 3.27Å; S71-E161 WeakPolarHBondContact CB-OE1 3.31Å; S71-E161 VanDerWaalsContact CB-OE2 3.31Å; S71-E161 WeakPolarHBondContact CB-OE2 3.4Å; S71-E161 VanDerWaalsContact OG-CD 3.26Å; S71-E161 PolarHBondContact OG-OE1 3.41Å; S71-E161 PolarHBondContact OG-OE2 3.03Å; D138-E161 WeakPolarHBondContact CA-OE2 3.47Å; D138-E161 WeakPolarHBondContact CB-OE2 3.17Å; Q139-E161 PolarHBondContact N-OE2 2.84Å; T159-E161 PolarHBondContact O-N 3.13Å; E161-V163 VanDerWaalsContact C-N 3.34Å; E161-V163 PolarHBondContact O-N 2.86Å; E161-G164 PolarHBondContact O-N 3.08Å
162A97.9Very high98.4Very high75 Ų7541.5 Ų41.562%0.6223%0.227SC*.Hα-helixtrans-64.8-36.6-17900000112.9T159T159-A162 PolarHBondContact O-N 3.41Å; T159-A162 VanDerWaalsContact O-N 3.12Å; T159-A162 WeakPolarHBondContact OG1-CB 3.46Å; T159-A162 PolarHBondContact OG1-N 2.93Å; T159-A162 VanDerWaalsContact OG1-N 3.1Å
163V97.4Very high98.4Very high32 Ų3235.1 Ų35.119%0.19420%0.198CC..Hα-helixtrans-88.7-21.9-179.2-177.30000112.7L158 T159 E161 W165 I172 E175L158-V163 HydrophobicContact CD1-CG2 3.29Å; L158-V163 HydrophobicContact CD2-CG2 3.76Å; L158-V163 HydrophobicContact CG-CG2 3.41Å; L158-V163 VanDerWaalsContact CG-CG2 3.41Å; T159-V163 PolarHBondContact O-N 2.96Å; T159-V163 VanDerWaalsContact O-N 3.13Å; E161-V163 VanDerWaalsContact C-N 3.34Å; E161-V163 PolarHBondContact O-N 2.86Å; V163-W165 HydrophobicContact CG1-CB 4.46Å; V163-W165 PolarHBondContact O-N 2.9Å; V163-I172 HydrophobicContact CB-CG1 4.25Å; V163-I172 HydrophobicContact CG1-CG1 4.42Å; V163-I172 HydrophobicContact CG2-CG1 4.07Å; V163-E175 HydrophobicContact CG1-CB 4.28Å; V163-E175 HydrophobicContact CG1-CG 4.47Å; V163-E175 HydrophobicContact CG2-CB 4.46Å; V163-E175 HydrophobicContact CG2-CG 4.1Å
164G97.6Very high98.4Very high33 Ų3339.7 Ų39.734%0.3422%0.219SC..SBendtrans79.6-3.4-173.100000114.6N62 S160 E161N62-G164 PolarHBondContact ND2-O 3.06Å; S160-G164 CarbonylContact O-C 3.57Å; S160-G164 VanDerWaalsContact O-CA 3.32Å; S160-G164 WeakPolarHBondContact O-CA 3.36Å; S160-G164 PolarHBondContact O-N 2.88Å; E161-G164 PolarHBondContact O-N 3.08Å
165W97.8Very high98.4Very high111 Ų11142 Ų4242%0.4223%0.23SC..  trans-128.2125179.5-58.399.3000110.5S160 V163 D169 R171 I172S160-W165 PolarHBondContact O-N 3.33Å; V163-W165 HydrophobicContact CG1-CB 4.46Å; V163-W165 PolarHBondContact O-N 2.9Å; W165-D169 HydrophobicContact CB-CB 4.16Å; W165-R171 HydrophobicContact CB-CB 4.23Å; W165-R171 HydrophobicContact CG-CB 4.07Å; W165-R171 VanDerWaalsContact CZ2-CZ 3.47Å; W165-R171 VanDerWaalsContact CZ3-CZ 3.47Å; W165-I172 WeakPolarHBondContact O-CD1 3.41Å
166P98Very high98.4Very high43 Ų4338.4 Ų38.428%0.27921%0.211SC..  trans-83.3154.9175.934.3-34.3000112.1N62 N136 S160 D169N62-P166 HydrophobicContact CB-CG 4.31Å; N136-P166 VanDerWaalsContact OD1-CA 3.29Å; N136-P166 WeakPolarHBondContact OD1-CA 3.35Å; N136-P166 WeakPolarHBondContact OD1-CB 3.39Å; S160-P166 VanDerWaalsContact CB-CA 3.48Å; P166-D169 WeakPolarHBondContact O-CB 3.32Å; P166-D169 PolarHBondContact O-N 3.46Å
167K98.5Very high98.4Very high4 Ų437.9 Ų37.92%0.01721%0.209CC..THydrogen-bonded Turntrans-53.8139.1160.4-58.1-178.1-70.4-177.50108.9D13 I134 N136 I172 F173 C196 D197D13-K167 IonicContact OD1-NZ 3.64Å; D13-K167 PolarHBondContact OD1-NZ 3.27Å; D13-K167 IonicContact OD2-NZ 3.9Å; D13-K167 PolarHBondContact OD2-NZ 3.32Å; I134-K167 HydrophobicContact CG2-CD 3.91Å; I134-K167 HydrophobicContact CG2-CG 4.08Å; I134-K167 WeakPolarHBondContact O-CE 3.46Å; I134-K167 PolarHBondContact O-NZ 2.69Å; N136-K167 PolarHBondContact ND2-O 3.48Å; N136-K167 PolarHBondContact OD1-N 2.84Å; K167-I172 HydrophobicContact CG-CD1 4.23Å; K167-I172 HydrophobicContact CG-CG2 3.71Å; K167-F173 HydrophobicContact CB-CZ 4.04Å; K167-F173 HydrophobicContact CD-CE1 3.95Å; K167-F173 HydrophobicContact CD-CZ 3.8Å; K167-F173 HydrophobicContact CG-CE1 4.03Å; K167-F173 HydrophobicContact CG-CE2 4.26Å; K167-F173 HydrophobicContact CG-CZ 3.56Å; K167-C196 HydrophobicContact CB-CB 3.71Å; K167-D197 WeakPolarHBondContact CE-OD1 3.16Å; K167-D197 IonicContact NZ-OD1 3.01Å; K167-D197 PolarHBondContact NZ-OD1 2.93Å
168P98.3Very high98.4Very high51 Ų5143.3 Ų43.333%0.33123%0.227SC..THydrogen-bonded Turncis-90.41710.239.3-41.3000115L195P168-L195 HydrophobicContact CB-CD1 4.36Å; P168-L195 HydrophobicContact CB-CG 4.2Å; P168-L195 WeakPolarHBondContact CB-O 3.33Å; P168-L195 HydrophobicContact CG-CD1 4.09Å; P168-L195 HydrophobicContact CG-CD2 4.2Å; P168-L195 HydrophobicContact CG-CG 3.85Å
169D98.6Very high98.4Very high36 Ų3645.6 Ų45.619%0.19324%0.239CC..SBendtrans-59.9130.2-177.5-167-70.2000111.2W165 P166 R171 I172W165-D169 HydrophobicContact CB-CB 4.16Å; P166-D169 WeakPolarHBondContact O-CB 3.32Å; P166-D169 PolarHBondContact O-N 3.46Å; D169-R171 PolarHBondContact O-N 3.48Å; D169-R171 VanDerWaalsContact OD1-CB 3.28Å; D169-R171 WeakPolarHBondContact OD1-CB 3.4Å; D169-R171 WeakPolarHBondContact OD1-CG 3.2Å; D169-R171 IonicContact OD1-CZ 2.74Å; D169-R171 PolarHBondContact OD1-N 2.87Å; D169-R171 IonicContact OD1-NE 2.67Å; D169-R171 PolarHBondContact OD1-NE 3.47Å; D169-R171 IonicContact OD1-NH2 3.48Å; D169-R171 IonicContact OD2-CZ 3.1Å; D169-R171 IonicContact OD2-NE 3.59Å; D169-R171 PolarHBondContact OD2-NE 2.96Å; D169-R171 IonicContact OD2-NH2 2.66Å; D169-R171 PolarHBondContact OD2-NH2 3.26Å; D169-I172 WeakPolarHBondContact O-CG2 3.37Å; D169-I172 PolarHBondContact O-N 2.76Å
170P98.6Very high98.4Very high56 Ų5645.1 Ų45.136%0.36424%0.236SC..Hα-helixtrans-59.1-25.2-175.623.7-35.3000113.6I172 F173 Q174 V204P170-I172 VanDerWaalsContact C-N 3.32Å; P170-I172 PolarHBondContact O-N 3.46Å; P170-F173 PolarHBondContact O-N 3.08Å; P170-Q174 WeakPolarHBondContact O-CB 3.27Å; P170-Q174 VanDerWaalsContact O-CG 3.24Å; P170-Q174 WeakPolarHBondContact O-CG 3.34Å; P170-Q174 PolarHBondContact O-N 3.29Å; P170-V204 HydrophobicContact CB-CG1 3.43Å; P170-V204 VanDerWaalsContact CB-CG1 3.43Å
171R98.8Very high98.4Very high99 Ų9952.7 Ų52.737%0.37427%0.271SS..Hα-helixtrans-64.5-32.6-176.1-72.4169.3-78.4-164.6-2.9113.3W165 D169 E175W165-R171 HydrophobicContact CB-CB 4.23Å; W165-R171 HydrophobicContact CG-CB 4.07Å; W165-R171 VanDerWaalsContact CZ2-CZ 3.47Å; W165-R171 VanDerWaalsContact CZ3-CZ 3.47Å; D169-R171 PolarHBondContact O-N 3.48Å; D169-R171 VanDerWaalsContact OD1-CB 3.28Å; D169-R171 WeakPolarHBondContact OD1-CB 3.4Å; D169-R171 WeakPolarHBondContact OD1-CG 3.2Å; D169-R171 IonicContact OD1-CZ 2.74Å; D169-R171 PolarHBondContact OD1-N 2.87Å; D169-R171 IonicContact OD1-NE 2.67Å; D169-R171 PolarHBondContact OD1-NE 3.47Å; D169-R171 IonicContact OD1-NH2 3.48Å; D169-R171 IonicContact OD2-CZ 3.1Å; D169-R171 IonicContact OD2-NE 3.59Å; D169-R171 PolarHBondContact OD2-NE 2.96Å; D169-R171 IonicContact OD2-NH2 2.66Å; D169-R171 PolarHBondContact OD2-NH2 3.26Å; R171-E175 WeakPolarHBondContact O-CB 3.43Å; R171-E175 PolarHBondContact O-N 3.23Å
172I98.8Very high98.4Very high0 Ų052 Ų520%027%0.268CS..Hα-helixtrans-69.2-38.8178.1-158.3-178.4000111.5I134 L158 V163 W165 K167 D169 P170 A176I134-I172 HydrophobicContact CG2-CD1 3.63Å; I134-I172 HydrophobicContact CG2-CG1 3.85Å; I134-I172 HydrophobicContact CG2-CG2 4.13Å; L158-I172 HydrophobicContact CD2-CG1 4.23Å; L158-I172 WeakPolarHBondContact CD2-O 3.27Å; V163-I172 HydrophobicContact CB-CG1 4.25Å; V163-I172 HydrophobicContact CG1-CG1 4.42Å; V163-I172 HydrophobicContact CG2-CG1 4.07Å; W165-I172 WeakPolarHBondContact O-CD1 3.41Å; K167-I172 HydrophobicContact CG-CD1 4.23Å; K167-I172 HydrophobicContact CG-CG2 3.71Å; D169-I172 WeakPolarHBondContact O-CG2 3.37Å; D169-I172 PolarHBondContact O-N 2.76Å; P170-I172 VanDerWaalsContact C-N 3.32Å; P170-I172 PolarHBondContact O-N 3.46Å; I172-A176 PolarHBondContact O-N 3.17Å; I172-A176 VanDerWaalsContact O-N 3.1Å
173F98.9Very high98.4Very high0 Ų054.8 Ų54.80%027%0.268CS..Hα-helixtrans-72.2-41.7176.9-57.6-68.2000111.7I134 K167 P170 E175 A176 L177 C196 P201 V204 M206I134-F173 HydrophobicContact CD1-CD1 3.84Å; I134-F173 HydrophobicContact CD1-CE1 4.35Å; I134-F173 HydrophobicContact CG2-CD1 4.44Å; I134-F173 HydrophobicContact CG2-CE1 4.26Å; K167-F173 HydrophobicContact CB-CZ 4.04Å; K167-F173 HydrophobicContact CD-CE1 3.95Å; K167-F173 HydrophobicContact CD-CZ 3.8Å; K167-F173 HydrophobicContact CG-CE1 4.03Å; K167-F173 HydrophobicContact CG-CE2 4.26Å; K167-F173 HydrophobicContact CG-CZ 3.56Å; P170-F173 PolarHBondContact O-N 3.08Å; F173-E175 VanDerWaalsContact C-N 3.3Å; F173-E175 PolarHBondContact O-N 3.49Å; F173-A176 PolarHBondContact O-N 3.47Å; F173-L177 VanDerWaalsContact O-CG 3.31Å; F173-L177 WeakPolarHBondContact O-CG 3.39Å; F173-L177 PolarHBondContact O-N 2.86Å; F173-C196 WeakPolarHBondContact CZ-O 3.37Å; F173-P201 HydrophobicContact CD1-CB 4.34Å; F173-P201 HydrophobicContact CD1-CG 4.16Å; F173-P201 HydrophobicContact CE1-CB 4.25Å; F173-P201 HydrophobicContact CE1-CG 3.58Å; F173-P201 HydrophobicContact CZ-CG 3.83Å; F173-V204 HydrophobicContact CB-CG1 4.43Å; F173-V204 HydrophobicContact CB-CG2 3.62Å; F173-V204 HydrophobicContact CG-CG2 4.28Å; F173-M206 HydrophobicContact CB-SD 3.9Å; F173-M206 HydrophobicContact CD1-CE 4.38Å; F173-M206 HydrophobicContact CD1-SD 4.17Å; F173-M206 HydrophobicContact CG-SD 4.32Å
174Q98.8Very high98.5Very high103 Ų10354.9 Ų54.948%0.48127%0.269SS..Hα-helixtrans-60.1-41.2175.2-72.1166.5-3.300111.7P170 L177 R178 V204P170-Q174 WeakPolarHBondContact O-CB 3.27Å; P170-Q174 VanDerWaalsContact O-CG 3.24Å; P170-Q174 WeakPolarHBondContact O-CG 3.34Å; P170-Q174 PolarHBondContact O-N 3.29Å; Q174-L177 PolarHBondContact O-N 3.49Å; Q174-R178 WeakPolarHBondContact O-CB 3.49Å; Q174-R178 PolarHBondContact O-N 2.68Å; Q174-V204 HydrophobicContact CG-CG1 4.3Å
175E98.8Very high98.5Very high54 Ų5457.2 Ų57.225%0.25228%0.277SS..Hα-helixtrans-66.1-40.9175.9-179.657.4-166.500111.9L158 V163 R171 F173 L177 R178 L179L158-E175 HydrophobicContact CD1-CG 4.26Å; L158-E175 HydrophobicContact CD2-CB 4.16Å; L158-E175 HydrophobicContact CD2-CG 4.05Å; V163-E175 HydrophobicContact CG1-CB 4.28Å; V163-E175 HydrophobicContact CG1-CG 4.47Å; V163-E175 HydrophobicContact CG2-CB 4.46Å; V163-E175 HydrophobicContact CG2-CG 4.1Å; R171-E175 WeakPolarHBondContact O-CB 3.43Å; R171-E175 PolarHBondContact O-N 3.23Å; F173-E175 VanDerWaalsContact C-N 3.3Å; F173-E175 PolarHBondContact O-N 3.49Å; E175-L177 PolarHBondContact O-N 3.12Å; E175-R178 WeakPolarHBondContact O-CB 3.49Å; E175-R178 PolarHBondContact O-N 2.93Å; E175-R178 IonicContact OE1-CZ 3.43Å; E175-R178 IonicContact OE1-NE 3.36Å; E175-R178 PolarHBondContact OE1-NE 3.39Å; E175-R178 IonicContact OE1-NH2 2.69Å; E175-R178 PolarHBondContact OE1-NH2 3.25Å; E175-R178 IonicContact OE2-CZ 3.67Å; E175-R178 IonicContact OE2-NE 2.8Å; E175-R178 PolarHBondContact OE2-NE 3.33Å; E175-R178 IonicContact OE2-NH2 3.67Å; E175-L179 HydrophobicContact CG-CD1 4.28Å; E175-L179 WeakPolarHBondContact O-CG 3.48Å; E175-L179 PolarHBondContact O-N 2.79Å
176A98.8Very high98.5Very high0 Ų053.4 Ų53.40%027%0.266CS..Hα-helixtrans-61.4-44.2174.200000112.5I134 F156 L158 I172 F173 R178 L179 A180I134-A176 HydrophobicContact CD1-CB 3.35Å; I134-A176 HydrophobicContact CG1-CB 3.79Å; F156-A176 HydrophobicContact CE2-CB 4.14Å; F156-A176 HydrophobicContact CZ-CB 4.2Å; F156-A176 WeakPolarHBondContact CZ-O 3.33Å; L158-A176 HydrophobicContact CD2-CB 3.72Å; I172-A176 PolarHBondContact O-N 3.17Å; I172-A176 VanDerWaalsContact O-N 3.1Å; F173-A176 PolarHBondContact O-N 3.47Å; A176-R178 VanDerWaalsContact C-N 3.32Å; A176-R178 PolarHBondContact O-N 3.44Å; A176-L179 PolarHBondContact O-N 3.29Å; A176-A180 WeakPolarHBondContact O-CB 3.28Å; A176-A180 PolarHBondContact O-N 3.02Å
177L98.8Very high98.5Very high18 Ų1851.3 Ų51.39%0.09425%0.252CS..Hα-helixtrans-61.7-40.8176-69.7170000111.4F173 Q174 E175 A180 H181 M182 P184 T187 M206F173-L177 VanDerWaalsContact O-CG 3.31Å; F173-L177 WeakPolarHBondContact O-CG 3.39Å; F173-L177 PolarHBondContact O-N 2.86Å; Q174-L177 PolarHBondContact O-N 3.49Å; E175-L177 PolarHBondContact O-N 3.12Å; L177-A180 PolarHBondContact O-N 2.94Å; L177-H181 PolarHBondContact O-N 3.45Å; L177-M182 HydrophobicContact CD2-CB 4.5Å; L177-M182 PolarHBondContact O-N 3.13Å; L177-M182 VanDerWaalsContact O-N 3.11Å; L177-P184 HydrophobicContact CD1-CB 3.91Å; L177-T187 HydrophobicContact CD2-CG2 3.99Å; L177-T187 WeakPolarHBondContact CD2-OG1 3.46Å; L177-M206 HydrophobicContact CD1-CG 4.22Å; L177-M206 HydrophobicContact CD1-SD 4.15Å; L177-M206 HydrophobicContact CD2-CG 4.31Å; L177-M206 HydrophobicContact CD2-SD 4.36Å; L177-M206 HydrophobicContact CG-SD 4.31Å
178R98.8Very high98.5Very high139 Ų13951.1 Ų51.153%0.52525%0.252SS..Hα-helixtrans-61.8-47.6175.6-168.5-162.868.972.9-1111.8Q174 E175 A176 A180 H181Q174-R178 WeakPolarHBondContact O-CB 3.49Å; Q174-R178 PolarHBondContact O-N 2.68Å; E175-R178 WeakPolarHBondContact O-CB 3.49Å; E175-R178 PolarHBondContact O-N 2.93Å; E175-R178 IonicContact OE1-CZ 3.43Å; E175-R178 IonicContact OE1-NE 3.36Å; E175-R178 PolarHBondContact OE1-NE 3.39Å; E175-R178 IonicContact OE1-NH2 2.69Å; E175-R178 PolarHBondContact OE1-NH2 3.25Å; E175-R178 IonicContact OE2-CZ 3.67Å; E175-R178 IonicContact OE2-NE 2.8Å; E175-R178 PolarHBondContact OE2-NE 3.33Å; E175-R178 IonicContact OE2-NH2 3.67Å; A176-R178 VanDerWaalsContact C-N 3.32Å; A176-R178 PolarHBondContact O-N 3.44Å; R178-A180 VanDerWaalsContact C-N 3.32Å; R178-H181 PolarHBondContact O-N 3.01Å
179L98.6Very high98.5Very high60 Ų6048.7 Ų48.731%0.31424%0.236SC..Hα-helixtrans-63.9-37.3177.6-71.5171.8000112.2F156 L158 E175 A176 H181F156-L179 HydrophobicContact CD1-CB 4.27Å; F156-L179 HydrophobicContact CD2-CD1 4.1Å; F156-L179 HydrophobicContact CE1-CB 3.91Å; F156-L179 HydrophobicContact CE2-CB 4.31Å; F156-L179 HydrophobicContact CE2-CD1 4.11Å; F156-L179 HydrophobicContact CZ-CB 3.93Å; L158-L179 HydrophobicContact CD1-CD1 3.79Å; L158-L179 HydrophobicContact CD2-CD1 4.39Å; E175-L179 HydrophobicContact CG-CD1 4.28Å; E175-L179 WeakPolarHBondContact O-CG 3.48Å; E175-L179 PolarHBondContact O-N 2.79Å; A176-L179 PolarHBondContact O-N 3.29Å; L179-H181 VanDerWaalsContact C-N 3.31Å
180A98.4Very high98.6Very high0 Ų047 Ų470%023%0.227CC..Hα-helixtrans-77.8-16.8178.500000113.7L9 R130 F156 A176 L177 R178 M182L9-A180 HydrophobicContact CD1-CB 4.39Å; L9-A180 HydrophobicContact CD2-CB 3.43Å; L9-A180 VanDerWaalsContact CD2-CB 3.43Å; R130-A180 PolarHBondContact NH1-O 2.91Å; F156-A180 HydrophobicContact CE1-CB 4.01Å; F156-A180 HydrophobicContact CZ-CB 4.31Å; A176-A180 WeakPolarHBondContact O-CB 3.28Å; A176-A180 PolarHBondContact O-N 3.02Å; L177-A180 PolarHBondContact O-N 2.94Å; R178-A180 VanDerWaalsContact C-N 3.32Å; A180-M182 VanDerWaalsContact C-N 3.32Å; A180-M182 HydrophobicContact CB-CB 4.16Å; A180-M182 HydrophobicContact CB-CG 3.88Å
181H98.4Very high98.5Very high160 Ų16044.3 Ų44.374%0.74121%0.209SC*.THydrogen-bonded Turntrans53.948-167.4-57.2-78.5000111.9L177 R178 L179L177-H181 PolarHBondContact O-N 3.45Å; R178-H181 PolarHBondContact O-N 3.01Å; L179-H181 VanDerWaalsContact C-N 3.31Å
182M98.1Very high98.4Very high18 Ų1841.9 Ų41.99%0.08920%0.203CC..  trans-124.9146.7-176.9-69-66.9176.100111.7R8 L9 L177 A180 V186R8-M182 HydrophobicContact CB-CE 4.19Å; R8-M182 HydrophobicContact CB-SD 4.1Å; L9-M182 HydrophobicContact CB-CG 4.13Å; L9-M182 HydrophobicContact CD2-CB 4.16Å; L9-M182 HydrophobicContact CD2-CG 4.12Å; L177-M182 HydrophobicContact CD2-CB 4.5Å; L177-M182 PolarHBondContact O-N 3.13Å; L177-M182 VanDerWaalsContact O-N 3.11Å; A180-M182 VanDerWaalsContact C-N 3.32Å; A180-M182 HydrophobicContact CB-CB 4.16Å; A180-M182 HydrophobicContact CB-CG 3.88Å; M182-V186 HydrophobicContact CB-CG2 4.46Å; M182-V186 HydrophobicContact SD-CG2 4.2Å
183E98.1Very high98.3Very high134 Ų13445 Ų4563%0.62622%0.221SC*.  trans-78.5149.8169.3-66-6114200110.4V185 V186 T187E183-V185 VanDerWaalsContact C-N 3.29Å; E183-V185 HydrophobicContact CB-CG1 4.26Å; E183-V185 PolarHBondContact O-N 3.16Å; E183-V186 HydrophobicContact CB-CG2 4.3Å; E183-V186 VanDerWaalsContact O-CG2 3.27Å; E183-V186 WeakPolarHBondContact O-CG2 3.17Å; E183-V186 PolarHBondContact O-N 2.99Å; E183-T187 PolarHBondContact O-OG1 3.27Å
184P98.3Very high98.1Very high33 Ų3348 Ų4821%0.21423%0.232CC..G310 helixtrans-60.4-37.9-178.823.1-33.2000112.5L177 V186 T187 V204 G205 M206L177-P184 HydrophobicContact CD1-CB 3.91Å; P184-V186 PolarHBondContact O-N 2.81Å; P184-V186 VanDerWaalsContact O-N 3.15Å; P184-T187 WeakPolarHBondContact O-CB 3.31Å; P184-T187 PolarHBondContact O-N 3.35Å; P184-V204 WeakPolarHBondContact CB-O 3.48Å; P184-G205 CarbonylContact C-O 3.46Å; P184-M206 HydrophobicContact CB-CG 3.93Å; P184-M206 WeakPolarHBondContact O-CA 3.38Å
185V97.8Very high98Very high82 Ų8247.2 Ų47.250%0.49723%0.231SC..G310 helixtrans-63.6-20.9-178.570.10000114.3L5 E183 H207L5-V185 HydrophobicContact CD1-CG2 4.26Å; L5-V185 VanDerWaalsContact CD1-O 3.3Å; L5-V185 WeakPolarHBondContact CD1-O 3.3Å; E183-V185 VanDerWaalsContact C-N 3.29Å; E183-V185 HydrophobicContact CB-CG1 4.26Å; E183-V185 PolarHBondContact O-N 3.16Å; V185-H207 PolarHBondContact O-CD2 3.37Å; V185-H207 PolarHBondContact O-NE2 3.3Å
186V98.1Very high97.9Very high31 Ų3145.6 Ų45.619%0.18823%0.225CC..G310 helixtrans-102.514.4176.2-61.20000112.5R8 L9 M182 E183 P184R8-V186 HydrophobicContact CB-CB 4.39Å; R8-V186 HydrophobicContact CB-CG2 4.48Å; R8-V186 HydrophobicContact CG-CB 4.25Å; R8-V186 PolarHBondContact N-O 2.91Å; L9-V186 PolarHBondContact N-O 3.38Å; M182-V186 HydrophobicContact CB-CG2 4.46Å; M182-V186 HydrophobicContact SD-CG2 4.2Å; E183-V186 HydrophobicContact CB-CG2 4.3Å; E183-V186 VanDerWaalsContact O-CG2 3.27Å; E183-V186 WeakPolarHBondContact O-CG2 3.17Å; E183-V186 PolarHBondContact O-N 2.99Å; P184-V186 PolarHBondContact O-N 2.81Å; P184-V186 VanDerWaalsContact O-N 3.15Å
187T98.6Very high97.9Very high0 Ų045.6 Ų45.60%023%0.225CC..EExtended strand (participates in β ladder)trans-124.4135.4-174.3-56.30000110.5L9 T11 L177 E183 P184 M206 H207L9-T187 HydrophobicContact CB-CG2 4.03Å; L9-T187 HydrophobicContact CD2-CG2 3.63Å; L9-T187 HydrophobicContact CG-CG2 3.85Å; L9-T187 WeakPolarHBondContact O-CA 3.49Å; T11-T187 HydrophobicContact CG2-CG2 4.23Å; L177-T187 HydrophobicContact CD2-CG2 3.99Å; L177-T187 WeakPolarHBondContact CD2-OG1 3.46Å; E183-T187 PolarHBondContact O-OG1 3.27Å; P184-T187 WeakPolarHBondContact O-CB 3.31Å; P184-T187 PolarHBondContact O-N 3.35Å; T187-M206 HydrophobicContact CG2-CE 3.5Å; T187-M206 HydrophobicContact CG2-CG 4.31Å; T187-H207 PolarHBondContact O-N 3.39Å
188A98.7Very high97.8Very high0 Ų045.6 Ų45.60%022%0.224CC..EExtended strand (participates in β ladder)trans-118.8148.9168.800000111.7I7 L9 L10 T11 H207 F209I7-A188 HydrophobicContact CD1-CB 4.48Å; I7-A188 HydrophobicContact CG2-CB 4.36Å; L9-A188 PolarHBondContact O-N 3.12Å; L10-A188 CarbonylContact C-O 3.54Å; L10-A188 WeakPolarHBondContact CA-O 3.2Å; L10-A188 HydrophobicContact CD2-CB 3.75Å; T11-A188 PolarHBondContact N-O 2.93Å; T11-A188 PolarHBondContact OG1-O 2.92Å; A188-H207 CarbonylContact C-O 3.44Å; A188-H207 VanDerWaalsContact CA-O 3.26Å; A188-H207 WeakPolarHBondContact CA-O 3.27Å; A188-H207 HydrophobicContact CB-CB 3.75Å; A188-F209 HydrophobicContact CB-CD2 4.17Å; A188-F209 HydrophobicContact CB-CE2 3.94Å
189H98.9Very high97.8Very high0 Ų042.8 Ų42.80%022%0.217CC..EExtended strand (participates in β ladder)trans-110143.2170.4-169.767.8000111.1T11 D197 P201 M206 H207 S208 F209T11-H189 CarbonylContact O-C 3.48Å; T11-H189 VanDerWaalsContact O-CA 3.28Å; T11-H189 WeakPolarHBondContact O-CA 3.48Å; T11-H189 PolarHBondContact O-ND1 2.8Å; T11-H189 WeakPolarHBondContact OG1-CA 3.41Å; T11-H189 WeakPolarHBondContact OG1-CB 3.34Å; T11-H189 PolarHBondContact OG1-ND1 3.35Å; H189-D197 PolarHBondContact CD2-O 2.87Å; H189-D197 IonicContact CD2-OD1 2.9Å; H189-D197 IonicContact NE2-OD1 3.77Å; H189-D197 PolarHBondContact NE2-OD1 2.81Å; H189-P201 HydrophobicContact CB-CB 3.74Å; H189-P201 HydrophobicContact CB-CG 3.41Å; H189-P201 VanDerWaalsContact CB-CG 3.41Å; H189-M206 HydrophobicContact CB-CE 4.06Å; H189-H207 PolarHBondContact N-O 3.06Å; H189-S208 CarbonylContact O-C 3.49Å; H189-S208 VanDerWaalsContact O-CA 3.23Å; H189-S208 WeakPolarHBondContact O-CA 3.32Å; H189-F209 PolarHBondContact O-N 3.33Å
190V98.8Very high97.8Very high0 Ų040 Ų400%020%0.203CC..EExtended strand (participates in β ladder)trans-127.9122.5179.9-173.10000108.5T11 W12 D13 T17 V211 L231 L234 L237T11-V190 PolarHBondContact O-N 3.36Å; W12-V190 WeakPolarHBondContact CA-O 3.29Å; W12-V190 HydrophobicContact CD2-CB 4.28Å; W12-V190 HydrophobicContact CE3-CB 3.96Å; W12-V190 HydrophobicContact CE3-CG1 4.07Å; W12-V190 HydrophobicContact CZ3-CB 4.23Å; W12-V190 HydrophobicContact CZ3-CG1 3.95Å; D13-V190 PolarHBondContact N-O 2.67Å; T17-V190 HydrophobicContact CG2-CG1 4.36Å; V190-V211 HydrophobicContact CG1-CG2 3.57Å; V190-L231 HydrophobicContact CG1-CD1 4.42Å; V190-L234 HydrophobicContact CG1-CD2 4.16Å; V190-L237 HydrophobicContact CG2-CD1 3.73Å; V190-L237 HydrophobicContact CG2-CD2 4.12Å
191G98.2Very high97.8Very high0 Ų040 Ų400%020%0.203CC..EExtended strand (participates in β ladder)trans-165.9178.5178.300000112T17 F209 L210 V211T17-G191 WeakPolarHBondContact OG1-CA 3.37Å; G191-F209 PolarHBondContact N-O 3.46Å; G191-L210 CarbonylContact O-C 3.58Å; G191-L210 WeakPolarHBondContact O-CA 3.46Å; G191-V211 PolarHBondContact O-N 2.82Å
192D96.1Very high97.8Very high47 Ų4736.1 Ų36.125%0.25118%0.182SC..SBendtrans-103.2-12.5-171.374.4-54000113.7D16 T17 D197 L210 V211 V212D16-D192 HydrophobicContact CB-CB 4.49Å; T17-D192 PolarHBondContact OG1-N 3.22Å; D192-D197 PolarHBondContact N-OD2 2.94Å; D192-L210 VanDerWaalsContact C-CD1 3.48Å; D192-L210 WeakPolarHBondContact O-CD1 3.26Å; D192-V211 WeakPolarHBondContact CA-O 3.35Å; D192-V211 WeakPolarHBondContact CB-O 3.34Å; D192-V212 WeakPolarHBondContact O-CG1 3.32Å
193N95.7Very high97.8Very high67 Ų6739.3 Ų39.336%0.35821%0.211SC..  trans-98123.6-176.1-168.4-85.3000112.5L195 C196 D197 Y198N193-L195 PolarHBondContact O-N 2.79Å; N193-L195 PolarHBondContact OD1-N 3.33Å; N193-L195 VanDerWaalsContact OD1-N 3.14Å; N193-C196 HydrophobicContact CB-CB 3.97Å; N193-C196 PolarHBondContact OD1-N 2.95Å; N193-C196 PolarHBondContact OD1-SG 3.25Å; N193-C196 VanDerWaalsContact OD1-SG 3.4Å; N193-D197 WeakPolarHBondContact CA-OD2 3.41Å; N193-D197 WeakPolarHBondContact CB-OD2 3.46Å; N193-D197 PolarHBondContact N-OD2 3.27Å; N193-D197 WeakPolarHBondContact O-CA 3.24Å; N193-D197 VanDerWaalsContact O-CB 3.31Å; N193-D197 WeakPolarHBondContact O-CB 3.39Å; N193-D197 PolarHBondContact O-N 2.9Å; N193-Y198 PolarHBondContact O-N 2.93Å
194Y95.4Very high97.9Very high62 Ų6234.2 Ų34.224%0.24319%0.189CC..Iπ-helixtrans-57-47.1-179.8172.3-116.1000113.5Y198 Q199 L210 V221 V225Y194-Y198 AromaticContact CD2-CD1 3.76Å; Y194-Y198 HydrophobicContact CD2-CD1 3.76Å; Y194-Y198 HydrophobicContact CD2-CG 4.23Å; Y194-Y198 AromaticContact CE2-CD1 3.53Å; Y194-Y198 HydrophobicContact CE2-CD1 3.53Å; Y194-Y198 HydrophobicContact CE2-CE1 4.08Å; Y194-Y198 HydrophobicContact CE2-CG 4.43Å; Y194-Y198 VanDerWaalsContact O-CB 3.28Å; Y194-Y198 WeakPolarHBondContact O-CB 3.09Å; Y194-Y198 PolarHBondContact O-N 3.31Å; Y194-Q199 HydrophobicContact CD2-CG 4.35Å; Y194-Q199 HydrophobicContact CE1-CG 4.09Å; Y194-Q199 HydrophobicContact CE2-CG 3.87Å; Y194-Q199 VanDerWaalsContact CZ-CD 3.49Å; Y194-Q199 PolarHBondContact O-N 3.32Å; Y194-Q199 PolarHBondContact OH-NE2 2.96Å; Y194-L210 HydrophobicContact CD2-CD2 4.42Å; Y194-V221 HydrophobicContact CD1-CG1 4.3Å; Y194-V221 HydrophobicContact CD1-CG2 3.72Å; Y194-V221 HydrophobicContact CD2-CG1 3.56Å; Y194-V221 HydrophobicContact CD2-CG2 4.47Å; Y194-V221 HydrophobicContact CE1-CG2 4.15Å; Y194-V221 HydrophobicContact CE2-CG1 4.1Å; Y194-V221 HydrophobicContact CG-CB 4.42Å; Y194-V221 HydrophobicContact CG-CG1 3.66Å; Y194-V221 HydrophobicContact CG-CG2 3.89Å; Y194-V225 HydrophobicContact CD2-CG2 3.81Å; Y194-V225 HydrophobicContact CE2-CG2 3.53Å
195L96Very high97.9Very high87 Ų8734.8 Ų34.846%0.45520%0.201SC..Iπ-helixtrans-73-50.9-178178.762.5000110.9P168 N193 Q199 G200P168-L195 HydrophobicContact CB-CD1 4.36Å; P168-L195 HydrophobicContact CB-CG 4.2Å; P168-L195 WeakPolarHBondContact CB-O 3.33Å; P168-L195 HydrophobicContact CG-CD1 4.09Å; P168-L195 HydrophobicContact CG-CD2 4.2Å; P168-L195 HydrophobicContact CG-CG 3.85Å; N193-L195 PolarHBondContact O-N 2.79Å; N193-L195 PolarHBondContact OD1-N 3.33Å; N193-L195 VanDerWaalsContact OD1-N 3.14Å; L195-Q199 VanDerWaalsContact CD1-OE1 3.27Å; L195-G200 PolarHBondContact O-N 3.38Å
196C97.9Very high97.9Very high20 Ų2031.2 Ų31.214%0.13518%0.179CC..Iπ-helixtrans-73.3-40.8-172.9-60.10000112.6K167 F173 N193 P201K167-C196 HydrophobicContact CB-CB 3.71Å; F173-C196 WeakPolarHBondContact CZ-O 3.37Å; N193-C196 HydrophobicContact CB-CB 3.97Å; N193-C196 PolarHBondContact OD1-N 2.95Å; N193-C196 PolarHBondContact OD1-SG 3.25Å; N193-C196 VanDerWaalsContact OD1-SG 3.4Å; C196-P201 WeakPolarHBondContact O-CD 3.47Å
197D98.4Very high97.9Very high0 Ų031.2 Ų31.20%018%0.177CC..Iπ-helixtrans-112.2-21.2-165.2-49.8-40.9000113.1K167 H189 D192 N193 P201 S208K167-D197 WeakPolarHBondContact CE-OD1 3.16Å; K167-D197 IonicContact NZ-OD1 3.01Å; K167-D197 PolarHBondContact NZ-OD1 2.93Å; H189-D197 PolarHBondContact CD2-O 2.87Å; H189-D197 IonicContact CD2-OD1 2.9Å; H189-D197 IonicContact NE2-OD1 3.77Å; H189-D197 PolarHBondContact NE2-OD1 2.81Å; D192-D197 PolarHBondContact N-OD2 2.94Å; N193-D197 WeakPolarHBondContact CA-OD2 3.41Å; N193-D197 WeakPolarHBondContact CB-OD2 3.46Å; N193-D197 PolarHBondContact N-OD2 3.27Å; N193-D197 WeakPolarHBondContact O-CA 3.24Å; N193-D197 VanDerWaalsContact O-CB 3.31Å; N193-D197 WeakPolarHBondContact O-CB 3.39Å; N193-D197 PolarHBondContact O-N 2.9Å; D197-P201 WeakPolarHBondContact O-CD 3.19Å; D197-P201 VanDerWaalsContact O-CG 3.32Å; D197-P201 WeakPolarHBondContact O-CG 3.3Å; D197-S208 VanDerWaalsContact O-CB 3.25Å; D197-S208 WeakPolarHBondContact O-CB 3.39Å
198Y97.7Very high97.9Very high18 Ų1831.2 Ų31.27%0.07118%0.177CC..Iπ-helixtrans-96.7-56.7172.2-176.5-97.1000112.2N193 Y194 R202 S208 L210 V225 P226 H229N193-Y198 PolarHBondContact O-N 2.93Å; Y194-Y198 AromaticContact CD2-CD1 3.76Å; Y194-Y198 HydrophobicContact CD2-CD1 3.76Å; Y194-Y198 HydrophobicContact CD2-CG 4.23Å; Y194-Y198 AromaticContact CE2-CD1 3.53Å; Y194-Y198 HydrophobicContact CE2-CD1 3.53Å; Y194-Y198 HydrophobicContact CE2-CE1 4.08Å; Y194-Y198 HydrophobicContact CE2-CG 4.43Å; Y194-Y198 VanDerWaalsContact O-CB 3.28Å; Y194-Y198 WeakPolarHBondContact O-CB 3.09Å; Y194-Y198 PolarHBondContact O-N 3.31Å; Y198-R202 VanDerWaalsContact CZ-NE 3.32Å; Y198-R202 WeakPolarHBondContact O-CD 3.32Å; Y198-R202 WeakPolarHBondContact O-CG 3.33Å; Y198-S208 WeakPolarHBondContact CA-OG 3.43Å; Y198-S208 VanDerWaalsContact CD2-OG 3.3Å; Y198-S208 WeakPolarHBondContact CD2-OG 3.37Å; Y198-S208 PolarHBondContact O-OG 3.13Å; Y198-L210 HydrophobicContact CD2-CB 4.32Å; Y198-V225 HydrophobicContact CD1-CG2 3.9Å; Y198-V225 HydrophobicContact CD2-CG1 4.2Å; Y198-V225 HydrophobicContact CE1-CB 4.41Å; Y198-V225 HydrophobicContact CE1-CG1 4.21Å; Y198-V225 HydrophobicContact CE1-CG2 3.69Å; Y198-V225 HydrophobicContact CE2-CG1 3.67Å; Y198-V225 HydrophobicContact CG-CG2 4.39Å; Y198-P226 WeakPolarHBondContact OH-CD 3.34Å; Y198-H229 HydrophobicContact CE2-CB 3.7Å; Y198-H229 AromaticContact CE2-ND1 3.8Å; Y198-H229 AromaticContact CZ-ND1 3.93Å; Y198-H229 PolarHBondContact OH-ND1 3.17Å; Y198-H229 VanDerWaalsContact OH-ND1 3.14Å
199Q98Very high97.9Very high79 Ų7931.4 Ų31.437%0.36918%0.178SC..Iπ-helixtrans-74.4-44-176.4-63.5-173.2-6900112.9Y194 L195 R202 A203Y194-Q199 HydrophobicContact CD2-CG 4.35Å; Y194-Q199 HydrophobicContact CE1-CG 4.09Å; Y194-Q199 HydrophobicContact CE2-CG 3.87Å; Y194-Q199 VanDerWaalsContact CZ-CD 3.49Å; Y194-Q199 PolarHBondContact O-N 3.32Å; Y194-Q199 PolarHBondContact OH-NE2 2.96Å; L195-Q199 VanDerWaalsContact CD1-OE1 3.27Å; Q199-R202 PolarHBondContact O-N 3.06Å; Q199-A203 PolarHBondContact O-N 3.34Å
200G98.5Very high97.8Very high3 Ų331.4 Ų31.43%0.03118%0.178CC..Hα-helixtrans-51.3-56.3-17800000114.2L195 R202 A203L195-G200 PolarHBondContact O-N 3.38Å; G200-R202 VanDerWaalsContact C-N 3.34Å; G200-R202 PolarHBondContact O-N 3.34Å; G200-A203 WeakPolarHBondContact O-CB 3.45Å; G200-A203 PolarHBondContact O-N 3.15Å
201P98.8Very high97.6Very high0 Ų032.2 Ų32.20%018%0.183CC..Hα-helixtrans-63.4-38.6179.7-19.629.4000112.8F173 H189 C196 D197 A203 V204 G205 M206F173-P201 HydrophobicContact CD1-CB 4.34Å; F173-P201 HydrophobicContact CD1-CG 4.16Å; F173-P201 HydrophobicContact CE1-CB 4.25Å; F173-P201 HydrophobicContact CE1-CG 3.58Å; F173-P201 HydrophobicContact CZ-CG 3.83Å; H189-P201 HydrophobicContact CB-CB 3.74Å; H189-P201 HydrophobicContact CB-CG 3.41Å; H189-P201 VanDerWaalsContact CB-CG 3.41Å; C196-P201 WeakPolarHBondContact O-CD 3.47Å; D197-P201 WeakPolarHBondContact O-CD 3.19Å; D197-P201 VanDerWaalsContact O-CG 3.32Å; D197-P201 WeakPolarHBondContact O-CG 3.3Å; P201-A203 VanDerWaalsContact C-N 3.27Å; P201-A203 PolarHBondContact O-N 3.36Å; P201-V204 WeakPolarHBondContact O-CG2 3.39Å; P201-V204 PolarHBondContact O-N 3.2Å; P201-V204 VanDerWaalsContact O-N 3.12Å; P201-G205 PolarHBondContact O-N 3.45Å; P201-M206 HydrophobicContact CB-CB 3.84Å; P201-M206 HydrophobicContact CB-CE 4.14Å; P201-M206 HydrophobicContact CB-SD 4.05Å; P201-M206 WeakPolarHBondContact O-CB 3.26Å; P201-M206 PolarHBondContact O-N 3.02Å
202R98.6Very high97.3Very high77 Ų7733.5 Ų33.529%0.29119%0.191SC..Hα-helixtrans-65.6-31.1179.3-75175.7-178.3-85.6-5112.7Y198 Q199 G200 V204 G205 M206 S208 H229Y198-R202 VanDerWaalsContact CZ-NE 3.32Å; Y198-R202 WeakPolarHBondContact O-CD 3.32Å; Y198-R202 WeakPolarHBondContact O-CG 3.33Å; Q199-R202 PolarHBondContact O-N 3.06Å; G200-R202 VanDerWaalsContact C-N 3.34Å; G200-R202 PolarHBondContact O-N 3.34Å; R202-V204 PolarHBondContact O-N 2.96Å; R202-G205 PolarHBondContact O-N 2.91Å; R202-M206 WeakPolarHBondContact CA-O 3.36Å; R202-M206 WeakPolarHBondContact CG-O 3.46Å; R202-S208 WeakPolarHBondContact CD-OG 3.47Å; R202-S208 WeakPolarHBondContact CG-OG 3.43Å; R202-S208 PolarHBondContact NE-OG 2.8Å; R202-S208 PolarHBondContact NH2-O 3.43Å; R202-H229 PolarHBondContact NH2-CD2 2.95Å; R202-H229 PolarHBondContact NH2-CE1 2.81Å; R202-H229 VanDerWaalsContact NH2-CG 3.27Å; R202-H229 PolarHBondContact NH2-ND1 3.23Å; R202-H229 PolarHBondContact NH2-NE2 3.25Å
203A98.4Very high96.7Very high86 Ų8635.5 Ų35.571%0.71120%0.201SC*.Hα-helixtrans-63.7-21.4175.800000113.1Q199 G200 P201Q199-A203 PolarHBondContact O-N 3.34Å; G200-A203 WeakPolarHBondContact O-CB 3.45Å; G200-A203 PolarHBondContact O-N 3.15Å; P201-A203 VanDerWaalsContact C-N 3.27Å; P201-A203 PolarHBondContact O-N 3.36Å
204V98.5Very high95.8Very high27 Ų2734.9 Ų34.916%0.16420%0.201CC..THydrogen-bonded Turntrans-104.610.3173.4-570000113.2P170 F173 Q174 P184 P201 R202 M206P170-V204 HydrophobicContact CB-CG1 3.43Å; P170-V204 VanDerWaalsContact CB-CG1 3.43Å; F173-V204 HydrophobicContact CB-CG1 4.43Å; F173-V204 HydrophobicContact CB-CG2 3.62Å; F173-V204 HydrophobicContact CG-CG2 4.28Å; Q174-V204 HydrophobicContact CG-CG1 4.3Å; P184-V204 WeakPolarHBondContact CB-O 3.48Å; P201-V204 WeakPolarHBondContact O-CG2 3.39Å; P201-V204 PolarHBondContact O-N 3.2Å; P201-V204 VanDerWaalsContact O-N 3.12Å; R202-V204 PolarHBondContact O-N 2.96Å; V204-M206 HydrophobicContact CG2-CG 3.96Å; V204-M206 HydrophobicContact CG2-SD 3.67Å
205G98.4Very high94.9Very high45 Ų4540.6 Ų40.646%0.46423%0.23SC..THydrogen-bonded Turntrans86.48.1176.800000115.5P184 P201 R202P184-G205 CarbonylContact C-O 3.46Å; P201-G205 PolarHBondContact O-N 3.45Å; R202-G205 PolarHBondContact O-N 2.91Å
206M98.7Very high94Very high6 Ų640.4 Ų40.43%0.0324%0.241CC..  trans-76.9158.6173.8-63.5160.766.400111T11 F173 L177 P184 T187 H189 P201 R202 V204T11-M206 HydrophobicContact CG2-CE 4.43Å; T11-M206 WeakPolarHBondContact OG1-CE 3.47Å; F173-M206 HydrophobicContact CB-SD 3.9Å; F173-M206 HydrophobicContact CD1-CE 4.38Å; F173-M206 HydrophobicContact CD1-SD 4.17Å; F173-M206 HydrophobicContact CG-SD 4.32Å; L177-M206 HydrophobicContact CD1-CG 4.22Å; L177-M206 HydrophobicContact CD1-SD 4.15Å; L177-M206 HydrophobicContact CD2-CG 4.31Å; L177-M206 HydrophobicContact CD2-SD 4.36Å; L177-M206 HydrophobicContact CG-SD 4.31Å; P184-M206 HydrophobicContact CB-CG 3.93Å; P184-M206 WeakPolarHBondContact O-CA 3.38Å; T187-M206 HydrophobicContact CG2-CE 3.5Å; T187-M206 HydrophobicContact CG2-CG 4.31Å; H189-M206 HydrophobicContact CB-CE 4.06Å; P201-M206 HydrophobicContact CB-CB 3.84Å; P201-M206 HydrophobicContact CB-CE 4.14Å; P201-M206 HydrophobicContact CB-SD 4.05Å; P201-M206 WeakPolarHBondContact O-CB 3.26Å; P201-M206 PolarHBondContact O-N 3.02Å; R202-M206 WeakPolarHBondContact CA-O 3.36Å; R202-M206 WeakPolarHBondContact CG-O 3.46Å; V204-M206 HydrophobicContact CG2-CG 3.96Å; V204-M206 HydrophobicContact CG2-SD 3.67Å
207H98.6Very high93.2Very high32 Ų3240.5 Ų40.515%0.14824%0.24CC..EExtended strand (participates in β ladder)trans-74.9155.9162.2-61.8-87.5000109.8V185 T187 A188 H189 L244V185-H207 PolarHBondContact O-CD2 3.37Å; V185-H207 PolarHBondContact O-NE2 3.3Å; T187-H207 PolarHBondContact O-N 3.39Å; A188-H207 CarbonylContact C-O 3.44Å; A188-H207 VanDerWaalsContact CA-O 3.26Å; A188-H207 WeakPolarHBondContact CA-O 3.27Å; A188-H207 HydrophobicContact CB-CB 3.75Å; H189-H207 PolarHBondContact N-O 3.06Å; H207-L244 HydrophobicContact CB-CD2 4.36Å
208S98.4Very high92.4Very high0 Ų044.8 Ų44.80%026%0.263CS..EExtended strand (participates in β ladder)trans-149.4146.6171.759.70000112.5H189 D197 Y198 R202H189-S208 CarbonylContact O-C 3.49Å; H189-S208 VanDerWaalsContact O-CA 3.23Å; H189-S208 WeakPolarHBondContact O-CA 3.32Å; D197-S208 VanDerWaalsContact O-CB 3.25Å; D197-S208 WeakPolarHBondContact O-CB 3.39Å; Y198-S208 WeakPolarHBondContact CA-OG 3.43Å; Y198-S208 VanDerWaalsContact CD2-OG 3.3Å; Y198-S208 WeakPolarHBondContact CD2-OG 3.37Å; Y198-S208 PolarHBondContact O-OG 3.13Å; R202-S208 WeakPolarHBondContact CD-OG 3.47Å; R202-S208 WeakPolarHBondContact CG-OG 3.43Å; R202-S208 PolarHBondContact NE-OG 2.8Å; R202-S208 PolarHBondContact NH2-O 3.43Å
209F98.1Very high91.7Very high3 Ų347.3 Ų47.31%0.01328%0.281CS..EExtended strand (participates in β ladder)trans-125.6133177-62.6-83.1000109.5A188 H189 G191 H229 L231 L237 A240 L241 L244A188-F209 HydrophobicContact CB-CD2 4.17Å; A188-F209 HydrophobicContact CB-CE2 3.94Å; H189-F209 PolarHBondContact O-N 3.33Å; G191-F209 PolarHBondContact N-O 3.46Å; F209-H229 CarbonylContact C-O 3.54Å; F209-H229 WeakPolarHBondContact CA-O 3.25Å; F209-L231 HydrophobicContact CB-CD1 3.58Å; F209-L231 HydrophobicContact CB-CG 3.94Å; F209-L231 HydrophobicContact CD1-CD2 4.2Å; F209-L231 HydrophobicContact CD1-CG 4.48Å; F209-L231 HydrophobicContact CG-CD1 4.26Å; F209-L237 HydrophobicContact CD2-CD1 4.02Å; F209-L237 HydrophobicContact CG-CD1 4.26Å; F209-A240 HydrophobicContact CD1-CB 4.04Å; F209-A240 HydrophobicContact CE1-CB 3.64Å; F209-A240 HydrophobicContact CZ-CB 4.36Å; F209-L241 HydrophobicContact CE2-CD2 3.57Å; F209-L241 HydrophobicContact CE2-CG 4.41Å; F209-L241 HydrophobicContact CZ-CD2 3.94Å; F209-L244 HydrophobicContact CE2-CD2 4.47Å; F209-L244 HydrophobicContact CZ-CD2 4.05Å
210L97.3Very high90.9Very high0 Ų048.4 Ų48.40%029%0.293CS..EExtended strand (participates in β ladder)trans-103.6116.4-174.6-175.664.5000110G191 D192 Y194 Y198 V212 L217 V221 H229 L231G191-L210 CarbonylContact O-C 3.58Å; G191-L210 WeakPolarHBondContact O-CA 3.46Å; D192-L210 VanDerWaalsContact C-CD1 3.48Å; D192-L210 WeakPolarHBondContact O-CD1 3.26Å; Y194-L210 HydrophobicContact CD2-CD2 4.42Å; Y198-L210 HydrophobicContact CD2-CB 4.32Å; L210-V212 HydrophobicContact CD1-CG1 4.16Å; L210-V212 HydrophobicContact CD2-CG1 4.27Å; L210-V212 HydrophobicContact CD2-CG2 4.07Å; L210-V212 HydrophobicContact CG-CG1 3.86Å; L210-V212 HydrophobicContact CG-CG2 3.91Å; L210-V212 PolarHBondContact O-N 3.42Å; L210-L217 HydrophobicContact CD2-CD2 4.26Å; L210-V221 HydrophobicContact CD2-CG1 4.19Å; L210-H229 PolarHBondContact N-O 2.84Å; L210-L231 PolarHBondContact O-N 3.37Å
211V94.9Very high90.1Very high17 Ų1749.2 Ų49.210%0.10330%0.297CS..EExtended strand (participates in β ladder)trans-90.1101.2-179.7-174.40000109.7T17 V190 G191 D192 L231 L234T17-V211 HydrophobicContact CG2-CG2 4.36Å; V190-V211 HydrophobicContact CG1-CG2 3.57Å; G191-V211 PolarHBondContact O-N 2.82Å; D192-V211 WeakPolarHBondContact CA-O 3.35Å; D192-V211 WeakPolarHBondContact CB-O 3.34Å; V211-L231 WeakPolarHBondContact CA-O 3.45Å; V211-L231 HydrophobicContact CG2-CB 4.3Å; V211-L231 HydrophobicContact CG2-CD1 4.21Å; V211-L234 HydrophobicContact CG1-CD2 4.36Å; V211-L234 HydrophobicContact CG2-CD2 3.78Å
212V90.8Very high89.4Confident28 Ų2854.9 Ų54.917%0.1732%0.319CS..  trans-153.8149.7-173.9-72.80000110.1D192 L210 P214 L217 I230 L231 P232D192-V212 WeakPolarHBondContact O-CG1 3.32Å; L210-V212 HydrophobicContact CD1-CG1 4.16Å; L210-V212 HydrophobicContact CD2-CG1 4.27Å; L210-V212 HydrophobicContact CD2-CG2 4.07Å; L210-V212 HydrophobicContact CG-CG1 3.86Å; L210-V212 HydrophobicContact CG-CG2 3.91Å; L210-V212 PolarHBondContact O-N 3.42Å; V212-P214 VanDerWaalsContact O-CD 3.24Å; V212-P214 WeakPolarHBondContact O-CD 3.22Å; V212-L217 HydrophobicContact CB-CD2 4.22Å; V212-L217 HydrophobicContact CB-CG 4.28Å; V212-L217 HydrophobicContact CG1-CD2 4.28Å; V212-L217 HydrophobicContact CG2-CD1 3.73Å; V212-L217 HydrophobicContact CG2-CD2 3.8Å; V212-L217 HydrophobicContact CG2-CG 3.75Å; V212-I230 HydrophobicContact CG2-CG2 3.82Å; V212-L231 PolarHBondContact N-O 3.49Å; V212-P232 WeakPolarHBondContact O-CA 3.38Å
213D83.8Confident88.8Confident89 Ų8956.8 Ų56.848%0.47634%0.335SS..  trans-66.4117.6162.9-178.3-10000108.7Q215 A216 L217D213-Q215 PolarHBondContact O-N 3.46Å; D213-Q215 WeakPolarHBondContact OD1-CB 3.29Å; D213-Q215 PolarHBondContact OD1-N 3.31Å; D213-A216 HydrophobicContact CB-CB 3.99Å; D213-A216 PolarHBondContact O-N 3.28Å; D213-L217 PolarHBondContact O-N 2.96Å
214P76.9Confident88.4Confident53 Ų5355.8 Ų55.834%0.34432%0.323SS..THydrogen-bonded Turntrans-58.9-22.8-179.8-22.533.5000113.9V212 I230 P232V212-P214 VanDerWaalsContact O-CD 3.24Å; V212-P214 WeakPolarHBondContact O-CD 3.22Å; P214-I230 HydrophobicContact CG-CG2 4.23Å; P214-P232 HydrophobicContact CG-CB 4.32Å; P214-P232 HydrophobicContact CG-CG 3.91Å
215Q76.6Confident88.2Confident182 Ų18254.8 Ų54.885%0.8532%0.317SS*.THydrogen-bonded Turntrans-79.6-24.4177.5-57.4-173.217.600112.7D213D213-Q215 PolarHBondContact O-N 3.46Å; D213-Q215 WeakPolarHBondContact OD1-CB 3.29Å; D213-Q215 PolarHBondContact OD1-N 3.31Å
216A77.3Confident87.9Confident83 Ų8355.3 Ų55.369%0.68631%0.312SS*.THydrogen-bonded Turntrans-89.4-7.5178.900000113.1D213D213-A216 HydrophobicContact CB-CB 3.99Å; D213-A216 PolarHBondContact O-N 3.28Å
217L79.7Confident87.6Confident23 Ų2363.5 Ų63.512%0.1235%0.347CS..SBendtrans-66136.1178.6-84.8174.2000111.9L210 V212 D213 V221 R222 I230L210-L217 HydrophobicContact CD2-CD2 4.26Å; V212-L217 HydrophobicContact CB-CD2 4.22Å; V212-L217 HydrophobicContact CB-CG 4.28Å; V212-L217 HydrophobicContact CG1-CD2 4.28Å; V212-L217 HydrophobicContact CG2-CD1 3.73Å; V212-L217 HydrophobicContact CG2-CD2 3.8Å; V212-L217 HydrophobicContact CG2-CG 3.75Å; D213-L217 PolarHBondContact O-N 2.96Å; L217-V221 HydrophobicContact CD2-CB 4.15Å; L217-V221 HydrophobicContact CD2-CG1 3.61Å; L217-R222 HydrophobicContact CB-CB 4.14Å; L217-R222 HydrophobicContact CD1-CB 4.36Å; L217-I230 HydrophobicContact CD1-CD1 3.93Å; L217-I230 HydrophobicContact CD1-CG2 4.25Å
218D82.4Confident87.4Confident89 Ų8968.2 Ų68.248%0.47637%0.369SS..  trans-55.3134.7164.8-178.3-83.4000109.5V220 V221 R222D218-V220 PolarHBondContact O-N 3.13Å; D218-V220 VanDerWaalsContact O-N 3.13Å; D218-V220 WeakPolarHBondContact OD1-CA 3.43Å; D218-V220 WeakPolarHBondContact OD1-CB 3.44Å; D218-V220 WeakPolarHBondContact OD1-CG2 3.4Å; D218-V220 PolarHBondContact OD1-N 2.87Å; D218-V221 HydrophobicContact CB-CB 4.45Å; D218-V221 HydrophobicContact CB-CG2 4.14Å; D218-V221 PolarHBondContact O-N 2.78Å; D218-R222 PolarHBondContact O-N 3.22Å
219P83.8Confident87.3Confident71 Ų7169.7 Ų69.746%0.46138%0.376SS..Hα-helixtrans-52.9-36.5-178.2-28.535.5000113.7R222 D223P219-R222 PolarHBondContact O-N 2.94Å; P219-D223 WeakPolarHBondContact O-CB 3.28Å; P219-D223 PolarHBondContact O-N 2.98Å
220V81.4Confident87.2Confident102 Ų10270.5 Ų70.562%0.61838%0.381SS*.Hα-helixtrans-65.7-42.4179-1780000110.7D218 S224D218-V220 PolarHBondContact O-N 3.13Å; D218-V220 VanDerWaalsContact O-N 3.13Å; D218-V220 WeakPolarHBondContact OD1-CA 3.43Å; D218-V220 WeakPolarHBondContact OD1-CB 3.44Å; D218-V220 WeakPolarHBondContact OD1-CG2 3.4Å; D218-V220 PolarHBondContact OD1-N 2.87Å; V220-S224 VanDerWaalsContact O-CB 3.27Å; V220-S224 WeakPolarHBondContact O-CB 3.49Å; V220-S224 PolarHBondContact O-N 3.3Å; V220-S224 VanDerWaalsContact O-N 3.12Å; V220-S224 PolarHBondContact O-OG 3.04Å
221V81.6Confident87.1Confident20 Ų2070.6 Ų70.612%0.12138%0.381CS..Hα-helixtrans-66.8-47.3177.6177.80000110.3Y194 L210 L217 D218 D223 S224 V225Y194-V221 HydrophobicContact CD1-CG1 4.3Å; Y194-V221 HydrophobicContact CD1-CG2 3.72Å; Y194-V221 HydrophobicContact CD2-CG1 3.56Å; Y194-V221 HydrophobicContact CD2-CG2 4.47Å; Y194-V221 HydrophobicContact CE1-CG2 4.15Å; Y194-V221 HydrophobicContact CE2-CG1 4.1Å; Y194-V221 HydrophobicContact CG-CB 4.42Å; Y194-V221 HydrophobicContact CG-CG1 3.66Å; Y194-V221 HydrophobicContact CG-CG2 3.89Å; L210-V221 HydrophobicContact CD2-CG1 4.19Å; L217-V221 HydrophobicContact CD2-CB 4.15Å; L217-V221 HydrophobicContact CD2-CG1 3.61Å; D218-V221 HydrophobicContact CB-CB 4.45Å; D218-V221 HydrophobicContact CB-CG2 4.14Å; D218-V221 PolarHBondContact O-N 2.78Å; V221-D223 PolarHBondContact O-N 3.46Å; V221-S224 PolarHBondContact O-N 3.47Å; V221-S224 VanDerWaalsContact O-N 3.07Å; V221-V225 HydrophobicContact CG1-CG2 4.08Å; V221-V225 WeakPolarHBondContact O-CG2 3.23Å; V221-V225 PolarHBondContact O-N 3.34Å
222R83.9Confident87Confident119 Ų11972.8 Ų72.845%0.44940%0.395SS..Hα-helixtrans-56.1-40.8178.5-174.7-16765.5-152-7.5112.1L217 D218 P219 S224L217-R222 HydrophobicContact CB-CB 4.14Å; L217-R222 HydrophobicContact CD1-CB 4.36Å; D218-R222 PolarHBondContact O-N 3.22Å; P219-R222 PolarHBondContact O-N 2.94Å; R222-S224 VanDerWaalsContact C-N 3.33Å
223D86Confident87.1Confident118 Ų11873.7 Ų73.763%0.63140%0.403SS*.Hα-helixtrans-82.8-13.3-176.8-59.8-11.3000112.1P219 V221P219-D223 WeakPolarHBondContact O-CB 3.28Å; P219-D223 PolarHBondContact O-N 2.98Å; V221-D223 PolarHBondContact O-N 3.46Å
224S89.8Confident87.7Confident65 Ų6570 Ų7046%0.45538%0.383SS..Hα-helixtrans-97.4-18.3179-590000114.4V220 V221 R222V220-S224 VanDerWaalsContact O-CB 3.27Å; V220-S224 WeakPolarHBondContact O-CB 3.49Å; V220-S224 PolarHBondContact O-N 3.3Å; V220-S224 VanDerWaalsContact O-N 3.12Å; V220-S224 PolarHBondContact O-OG 3.04Å; V221-S224 PolarHBondContact O-N 3.47Å; V221-S224 VanDerWaalsContact O-N 3.07Å; R222-S224 VanDerWaalsContact C-N 3.33Å
225V93Very high88.5Confident6 Ų671 Ų714%0.03640%0.396CS..SBendtrans-105.4122.1-177.2-178.70000109.7Y194 Y198 V221 K227 H229 I230Y194-V225 HydrophobicContact CD2-CG2 3.81Å; Y194-V225 HydrophobicContact CE2-CG2 3.53Å; Y198-V225 HydrophobicContact CD1-CG2 3.9Å; Y198-V225 HydrophobicContact CD2-CG1 4.2Å; Y198-V225 HydrophobicContact CE1-CB 4.41Å; Y198-V225 HydrophobicContact CE1-CG1 4.21Å; Y198-V225 HydrophobicContact CE1-CG2 3.69Å; Y198-V225 HydrophobicContact CE2-CG1 3.67Å; Y198-V225 HydrophobicContact CG-CG2 4.39Å; V221-V225 HydrophobicContact CG1-CG2 4.08Å; V221-V225 WeakPolarHBondContact O-CG2 3.23Å; V221-V225 PolarHBondContact O-N 3.34Å; V225-K227 PolarHBondContact O-N 2.89Å; V225-H229 HydrophobicContact CG1-CB 4.03Å; V225-I230 HydrophobicContact CB-CD1 4.15Å; V225-I230 HydrophobicContact CB-CG1 4.17Å; V225-I230 HydrophobicContact CG1-CD1 4.08Å; V225-I230 HydrophobicContact CG1-CG1 3.55Å
226P93.8Very high89.4Confident55 Ų5566.3 Ų66.336%0.35737%0.374SS..  trans-54.6137.8171.2-24.634.9000111.1Y198 E228 H229Y198-P226 WeakPolarHBondContact OH-CD 3.34Å; P226-E228 VanDerWaalsContact CB-OE2 3.27Å; P226-E228 WeakPolarHBondContact CB-OE2 3.23Å; P226-E228 PolarHBondContact O-N 3.49Å; P226-E228 VanDerWaalsContact O-N 3.12Å; P226-H229 WeakPolarHBondContact O-CB 3.43Å; P226-H229 PolarHBondContact O-N 2.9Å
227K92.1Very high90.4Very high179 Ų17962.3 Ų62.378%0.77834%0.341SS*.G310 helixtrans-60.2-28.9-173.4-67.2-177.8179.9179.20112.5V225 H229 I230V225-K227 PolarHBondContact O-N 2.89Å; K227-H229 PolarHBondContact O-N 3.41Å; K227-I230 PolarHBondContact O-N 3.16Å; K227-I230 VanDerWaalsContact O-N 3.15Å
228E93.6Very high91.1Very high130 Ų13061.7 Ų61.761%0.60734%0.338SS*.G310 helixtrans-66.7-18.2178.3-55.173-156.800112.4P226P226-E228 VanDerWaalsContact CB-OE2 3.27Å; P226-E228 WeakPolarHBondContact CB-OE2 3.23Å; P226-E228 PolarHBondContact O-N 3.49Å; P226-E228 VanDerWaalsContact O-N 3.12Å
229H96Very high91.8Very high31 Ų3160.7 Ų60.714%0.14434%0.336CS..G310 helixtrans-98.1-6.2176.3-52.5151.6000113.4Y198 R202 F209 L210 V225 P226 K227Y198-H229 HydrophobicContact CE2-CB 3.7Å; Y198-H229 AromaticContact CE2-ND1 3.8Å; Y198-H229 AromaticContact CZ-ND1 3.93Å; Y198-H229 PolarHBondContact OH-ND1 3.17Å; Y198-H229 VanDerWaalsContact OH-ND1 3.14Å; R202-H229 PolarHBondContact NH2-CD2 2.95Å; R202-H229 PolarHBondContact NH2-CE1 2.81Å; R202-H229 VanDerWaalsContact NH2-CG 3.27Å; R202-H229 PolarHBondContact NH2-ND1 3.23Å; R202-H229 PolarHBondContact NH2-NE2 3.25Å; F209-H229 CarbonylContact C-O 3.54Å; F209-H229 WeakPolarHBondContact CA-O 3.25Å; L210-H229 PolarHBondContact N-O 2.84Å; V225-H229 HydrophobicContact CG1-CB 4.03Å; P226-H229 WeakPolarHBondContact O-CB 3.43Å; P226-H229 PolarHBondContact O-N 2.9Å; K227-H229 PolarHBondContact O-N 3.41Å
230I95.5Very high92.4Very high21 Ų2158 Ų5811%0.10832%0.32CS..EExtended strand (participates in β ladder)trans-94.9123.4180-57177.4000108.4V212 P214 L217 V225 K227V212-I230 HydrophobicContact CG2-CG2 3.82Å; P214-I230 HydrophobicContact CG-CG2 4.23Å; L217-I230 HydrophobicContact CD1-CD1 3.93Å; L217-I230 HydrophobicContact CD1-CG2 4.25Å; V225-I230 HydrophobicContact CB-CD1 4.15Å; V225-I230 HydrophobicContact CB-CG1 4.17Å; V225-I230 HydrophobicContact CG1-CD1 4.08Å; V225-I230 HydrophobicContact CG1-CG1 3.55Å; K227-I230 PolarHBondContact O-N 3.16Å; K227-I230 VanDerWaalsContact O-N 3.15Å
231L95.3Very high93Very high1 Ų153.5 Ų53.51%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-110.3108.2179.5-53.3-175.4000109.2V190 F209 L210 V211 V212 S233 H236 L237 A240V190-L231 HydrophobicContact CG1-CD1 4.42Å; F209-L231 HydrophobicContact CB-CD1 3.58Å; F209-L231 HydrophobicContact CB-CG 3.94Å; F209-L231 HydrophobicContact CD1-CD2 4.2Å; F209-L231 HydrophobicContact CD1-CG 4.48Å; F209-L231 HydrophobicContact CG-CD1 4.26Å; L210-L231 PolarHBondContact O-N 3.37Å; V211-L231 WeakPolarHBondContact CA-O 3.45Å; V211-L231 HydrophobicContact CG2-CB 4.3Å; V211-L231 HydrophobicContact CG2-CD1 4.21Å; V212-L231 PolarHBondContact N-O 3.49Å; L231-S233 PolarHBondContact O-N 3Å; L231-S233 VanDerWaalsContact O-N 3.17Å; L231-H236 HydrophobicContact CB-CB 4.4Å; L231-H236 HydrophobicContact CD2-CB 3.95Å; L231-L237 HydrophobicContact CD1-CB 3.91Å; L231-L237 HydrophobicContact CD1-CD1 3.84Å; L231-L237 HydrophobicContact CD1-CG 4.47Å; L231-A240 HydrophobicContact CD2-CB 3.79Å
232P93.2Very high93.6Very high63 Ų6356.2 Ų56.241%0.40931%0.306SS..SBendtrans-59.5-25172.8-23.933.5000113.4V212 P214V212-P232 WeakPolarHBondContact O-CA 3.38Å; P214-P232 HydrophobicContact CG-CB 4.32Å; P214-P232 HydrophobicContact CG-CG 3.91Å
233S94.1Very high94.1Very high48 Ų4854.4 Ų54.434%0.33631%0.311SS..SBendtrans-162.3166.7173.968.10000109.7L231 A235 H236L231-S233 PolarHBondContact O-N 3Å; L231-S233 VanDerWaalsContact O-N 3.17Å; S233-A235 PolarHBondContact O-N 3.36Å; S233-A235 VanDerWaalsContact O-N 3.12Å; S233-H236 PolarHBondContact N-ND1 3.19Å; S233-H236 WeakPolarHBondContact O-CB 3.44Å; S233-H236 PolarHBondContact O-N 3.37Å; S233-H236 PolarHBondContact O-ND1 3.29Å; S233-H236 PolarHBondContact OG-CE1 3.08Å; S233-H236 PolarHBondContact OG-ND1 2.91Å; S233-H236 VanDerWaalsContact OG-ND1 3.08Å
234L95.4Very high94.3Very high11 Ų1150.2 Ų50.26%0.05829%0.288CS..G310 helixtrans-59.5-23.9178.5-66.9-174.1000114.3W12 T17 L18 A117 T120 V190 V211 H236 L237W12-L234 HydrophobicContact CH2-CD2 4.38Å; W12-L234 HydrophobicContact CZ3-CD1 4.12Å; W12-L234 HydrophobicContact CZ3-CD2 3.71Å; T17-L234 HydrophobicContact CG2-CD2 4.43Å; T17-L234 WeakPolarHBondContact O-CD1 3.36Å; L18-L234 HydrophobicContact CD2-CD1 3.96Å; A117-L234 HydrophobicContact CB-CD1 3.86Å; T120-L234 HydrophobicContact CG2-CB 4.28Å; V190-L234 HydrophobicContact CG1-CD2 4.16Å; V211-L234 HydrophobicContact CG1-CD2 4.36Å; V211-L234 HydrophobicContact CG2-CD2 3.78Å; L234-H236 PolarHBondContact O-N 3.46Å; L234-L237 VanDerWaalsContact O-CB 3.27Å; L234-L237 WeakPolarHBondContact O-CB 3.27Å; L234-L237 PolarHBondContact O-N 3.38Å
235A94.2Very high94.3Very high73 Ų7349.3 Ų49.360%0.60328%0.277SS*.G310 helixtrans-58.9-20.617400000113.3S233 P239S233-A235 PolarHBondContact O-N 3.36Å; S233-A235 VanDerWaalsContact O-N 3.12Å; A235-P239 WeakPolarHBondContact O-CD 3.34Å
236H95.9Very high93.9Very high84 Ų8450.6 Ų50.639%0.38929%0.291SS..G310 helixtrans-88.7-9.9179-60.584.2000113.3L231 S233 L234 P239 A240L231-H236 HydrophobicContact CB-CB 4.4Å; L231-H236 HydrophobicContact CD2-CB 3.95Å; S233-H236 PolarHBondContact N-ND1 3.19Å; S233-H236 WeakPolarHBondContact O-CB 3.44Å; S233-H236 PolarHBondContact O-N 3.37Å; S233-H236 PolarHBondContact O-ND1 3.29Å; S233-H236 PolarHBondContact OG-CE1 3.08Å; S233-H236 PolarHBondContact OG-ND1 2.91Å; S233-H236 VanDerWaalsContact OG-ND1 3.08Å; L234-H236 PolarHBondContact O-N 3.46Å; H236-P239 WeakPolarHBondContact O-CD 3.44Å; H236-A240 VanDerWaalsContact O-CB 3.31Å; H236-A240 WeakPolarHBondContact O-CB 3.47Å; H236-A240 PolarHBondContact O-N 3.15Å
237L97Very high92.8Very high0 Ų051.7 Ų51.70%030%0.3CS..Hα-helixtrans-62.1-51.9-175.317561.4000112L10 W12 T120 V190 F209 L231 L234 A240 L241L10-L237 HydrophobicContact CD1-CD2 4.14Å; W12-L237 HydrophobicContact CH2-CD2 3.26Å; W12-L237 HydrophobicContact CZ2-CD2 3.58Å; W12-L237 HydrophobicContact CZ3-CD2 4.2Å; T120-L237 HydrophobicContact CG2-CD2 4.12Å; V190-L237 HydrophobicContact CG2-CD1 3.73Å; V190-L237 HydrophobicContact CG2-CD2 4.12Å; F209-L237 HydrophobicContact CD2-CD1 4.02Å; F209-L237 HydrophobicContact CG-CD1 4.26Å; L231-L237 HydrophobicContact CD1-CB 3.91Å; L231-L237 HydrophobicContact CD1-CD1 3.84Å; L231-L237 HydrophobicContact CD1-CG 4.47Å; L234-L237 VanDerWaalsContact O-CB 3.27Å; L234-L237 WeakPolarHBondContact O-CB 3.27Å; L234-L237 PolarHBondContact O-N 3.38Å; L237-A240 WeakPolarHBondContact O-CB 3.47Å; L237-A240 PolarHBondContact O-N 3.5Å; L237-A240 VanDerWaalsContact O-N 3.14Å; L237-L241 HydrophobicContact CD1-CD1 4.23Å; L237-L241 HydrophobicContact CD1-CG 4.22Å; L237-L241 HydrophobicContact CG-CD1 4.17Å; L237-L241 WeakPolarHBondContact O-CG 3.4Å; L237-L241 PolarHBondContact O-N 2.83Å
238L96.2Very high91Very high9 Ų949.1 Ų49.15%0.04730%0.299CS..Hα-helixtrans-66.1-44.7-175.6-63.6176000112.4E123 A240 L241 D242E123-L238 HydrophobicContact CB-CD1 3.8Å; E123-L238 HydrophobicContact CG-CD1 3.44Å; E123-L238 VanDerWaalsContact CG-CD1 3.44Å; E123-L238 WeakPolarHBondContact OE1-CD1 3.25Å; E123-L238 WeakPolarHBondContact OE2-CD1 3.31Å; L238-A240 VanDerWaalsContact C-N 3.26Å; L238-A240 PolarHBondContact O-N 3.17Å; L238-L241 HydrophobicContact CD2-CD1 4.09Å; L238-L241 PolarHBondContact O-N 3.4Å; L238-D242 VanDerWaalsContact O-CG 3.24Å; L238-D242 PolarHBondContact O-N 2.96Å
239P95.9Very high88.9Confident69 Ų6947.4 Ų47.445%0.44830%0.3SS..Hα-helixtrans-55-39.3168.5-27.634.8000113.8A235 H236 D242 C243A235-P239 WeakPolarHBondContact O-CD 3.34Å; H236-P239 WeakPolarHBondContact O-CD 3.44Å; P239-D242 PolarHBondContact O-N 2.97Å; P239-C243 PolarHBondContact O-N 3.38Å; P239-C243 PolarHBondContact O-SG 3.42Å; P239-C243 VanDerWaalsContact O-SG 3.37Å
240A96.1Very high86.4Confident15 Ų1549.4 Ų49.412%0.12433%0.329CS..Hα-helixtrans-67.7-38178.200000112.2F209 L231 H236 L237 L238 C243 L244F209-A240 HydrophobicContact CD1-CB 4.04Å; F209-A240 HydrophobicContact CE1-CB 3.64Å; F209-A240 HydrophobicContact CZ-CB 4.36Å; L231-A240 HydrophobicContact CD2-CB 3.79Å; H236-A240 VanDerWaalsContact O-CB 3.31Å; H236-A240 WeakPolarHBondContact O-CB 3.47Å; H236-A240 PolarHBondContact O-N 3.15Å; L237-A240 WeakPolarHBondContact O-CB 3.47Å; L237-A240 PolarHBondContact O-N 3.5Å; L237-A240 VanDerWaalsContact O-N 3.14Å; L238-A240 VanDerWaalsContact C-N 3.26Å; L238-A240 PolarHBondContact O-N 3.17Å; A240-C243 PolarHBondContact O-N 2.95Å; A240-L244 WeakPolarHBondContact O-CB 3.45Å; A240-L244 PolarHBondContact O-N 2.91Å
241L95.4Very high83.4Confident6 Ų660.3 Ų60.33%0.03139%0.386CS..Hα-helixtrans-64.2-43.8171.9-68.8173.5000111.6I7 L10 L129 F209 L237 L238 C243 L244 E245I7-L241 HydrophobicContact CB-CD2 4.41Å; I7-L241 HydrophobicContact CG1-CD2 4.01Å; I7-L241 HydrophobicContact CG2-CD2 4.49Å; L10-L241 HydrophobicContact CD1-CD1 4.08Å; L10-L241 HydrophobicContact CD2-CD1 4.15Å; L10-L241 HydrophobicContact CD2-CD2 4.24Å; L129-L241 HydrophobicContact CD1-CD1 4.33Å; F209-L241 HydrophobicContact CE2-CD2 3.57Å; F209-L241 HydrophobicContact CE2-CG 4.41Å; F209-L241 HydrophobicContact CZ-CD2 3.94Å; L237-L241 HydrophobicContact CD1-CD1 4.23Å; L237-L241 HydrophobicContact CD1-CG 4.22Å; L237-L241 HydrophobicContact CG-CD1 4.17Å; L237-L241 WeakPolarHBondContact O-CG 3.4Å; L237-L241 PolarHBondContact O-N 2.83Å; L238-L241 HydrophobicContact CD2-CD1 4.09Å; L238-L241 PolarHBondContact O-N 3.4Å; L241-C243 VanDerWaalsContact C-N 3.29Å; L241-C243 PolarHBondContact O-N 3.36Å; L241-L244 WeakPolarHBondContact O-CB 3.28Å; L241-L244 PolarHBondContact O-N 3.22Å; L241-L244 VanDerWaalsContact O-N 3.08Å; L241-E245 WeakPolarHBondContact O-CG 3.41Å; L241-E245 PolarHBondContact O-N 3.22Å
242D94Very high82.8Confident78 Ų7863.3 Ų63.342%0.41741%0.405SS..Hα-helixtrans-61.4-38.5178.3-66-30.6000111.3R127 L238 P239 G246R127-D242 IonicContact NH1-OD1 3.48Å; R127-D242 PolarHBondContact NH1-OD1 2.69Å; R127-D242 IonicContact NH1-OD2 2.79Å; R127-D242 PolarHBondContact NH1-OD2 2.77Å; R127-D242 VanDerWaalsContact NH1-OD2 3.14Å; R127-D242 IonicContact NH2-OD2 3.55Å; L238-D242 VanDerWaalsContact O-CG 3.24Å; L238-D242 PolarHBondContact O-N 2.96Å; P239-D242 PolarHBondContact O-N 2.97Å; D242-G246 WeakPolarHBondContact O-CA 3.48Å; D242-G246 PolarHBondContact O-N 3.21Å
243C92.8Very high82.3Confident81 Ų8163.3 Ų63.355%0.54741%0.405SS..Hα-helixtrans-65.7-41.6172.3-73.20000112.6P239 A240 L241 G246 S247P239-C243 PolarHBondContact O-N 3.38Å; P239-C243 PolarHBondContact O-SG 3.42Å; P239-C243 VanDerWaalsContact O-SG 3.37Å; A240-C243 PolarHBondContact O-N 2.95Å; L241-C243 VanDerWaalsContact C-N 3.29Å; L241-C243 PolarHBondContact O-N 3.36Å; C243-G246 PolarHBondContact O-N 3.18Å; C243-S247 PolarHBondContact O-N 3.44Å; C243-S247 VanDerWaalsContact O-N 3.11Å; C243-S247 PolarHBondContact O-OG 3.08Å
244L92Very high81.6Confident30 Ų3064.1 Ų64.116%0.15741%0.408CS..Hα-helixtrans-63.4-47.1179.1177.965.6000111.3L5 I7 H207 F209 A240 L241 G246 S247L5-L244 HydrophobicContact CD2-CD1 3.78Å; L5-L244 HydrophobicContact CD2-CD2 4.24Å; L5-L244 HydrophobicContact CD2-CG 3.71Å; I7-L244 HydrophobicContact CD1-CD2 4.07Å; I7-L244 HydrophobicContact CG1-CD2 4.06Å; H207-L244 HydrophobicContact CB-CD2 4.36Å; F209-L244 HydrophobicContact CE2-CD2 4.47Å; F209-L244 HydrophobicContact CZ-CD2 4.05Å; A240-L244 WeakPolarHBondContact O-CB 3.45Å; A240-L244 PolarHBondContact O-N 2.91Å; L241-L244 WeakPolarHBondContact O-CB 3.28Å; L241-L244 PolarHBondContact O-N 3.22Å; L241-L244 VanDerWaalsContact O-N 3.08Å; L244-G246 VanDerWaalsContact C-N 3.31Å; L244-S247 PolarHBondContact O-N 3.04Å
245E89.8Confident80.8Confident46 Ų4667.2 Ų67.222%0.21543%0.429CS..Hα-helixtrans-73.5-26.6176.7-61.3-174162.400112R4 L5 Q6 I7 L241 S247R4-E245 WeakPolarHBondContact CG-O 3.35Å; R4-E245 PolarHBondContact NE-O 3.28Å; L5-E245 WeakPolarHBondContact O-CG 3.45Å; Q6-E245 WeakPolarHBondContact CA-OE1 3.41Å; I7-E245 PolarHBondContact N-OE1 2.96Å; L241-E245 WeakPolarHBondContact O-CG 3.41Å; L241-E245 PolarHBondContact O-N 3.22Å; E245-S247 VanDerWaalsContact C-N 3.31Å; E245-S247 PolarHBondContact O-N 3.43Å
246G83.4Confident80Confident32 Ų3266.9 Ų66.933%0.3342%0.418SS..Hα-helixtrans-62.7-33.4173.500000114D242 C243 L244 T248D242-G246 WeakPolarHBondContact O-CA 3.48Å; D242-G246 PolarHBondContact O-N 3.21Å; C243-G246 PolarHBondContact O-N 3.18Å; L244-G246 VanDerWaalsContact C-N 3.31Å; G246-T248 PolarHBondContact O-N 3.09Å
247S71.4Confident78.9Confident79 Ų7965.7 Ų65.755%0.55242%0.42SS*.  trans-74.8102.6-173.8-610000111.1C243 L244 E245C243-S247 PolarHBondContact O-N 3.44Å; C243-S247 VanDerWaalsContact O-N 3.11Å; C243-S247 PolarHBondContact O-OG 3.08Å; L244-S247 PolarHBondContact O-N 3.04Å; E245-S247 VanDerWaalsContact C-N 3.31Å; E245-S247 PolarHBondContact O-N 3.43Å
248T53.7Low77.6Confident124 Ų12470.4 Ų70.476%0.76145%0.45SS*.PPolyproline II helixtrans-58.5130.1169-7.30000109.3G246 G250G246-T248 PolarHBondContact O-N 3.09Å; T248-G250 PolarHBondContact O-N 3.09Å; T248-G250 VanDerWaalsContact O-N 3.11Å
249P49Very low76.2Confident94 Ų9475.2 Ų75.261%0.6148%0.481SS*.PPolyproline II helixtrans-59.7120.6166-12.826.1000107L251P249-L251 PolarHBondContact O-N 3.02Å
250G44Very low74.5Confident73 Ų7375.7 Ų75.775%0.75348%0.484SS*.PPolyproline II helixtrans-54.3136177.200000110.7T248T248-G250 PolarHBondContact O-N 3.09Å; T248-G250 VanDerWaalsContact O-N 3.11Å
251L33Very low72.6Confident250 Ų25081.2 Ų81.2100%1.30952%0.517SS*.  trans-48.10170.1-80.7154.2000112.9P249P249-L251 PolarHBondContact O-N 3.02Å

Retrieved 251 of 251 residues in 451.5 ms (Link to these results)

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