A0A3B3V5E2_9TELE Loading...

Glycolipid transfer protein a

Accelerates the intermembrane transfer of various glycolipids. Catalyzes the transfer of various glycosphingolipids between membranes but does not catalyze the transfer of phospholipids. May be involved in the intracellular translocation of glucosylceramides.

AlphaFold DB , UniProt , Accession A0A3B3V5E2, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 209 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
1M56.4Low79.7Confident5 Ų561.7 Ų61.73%0.02528%0.281CS..  023.20-142.748.865.200114.4L3 L4 M5 L165 S166 C176 K179 I180M1-L3 PolarHBondContact O-N 3.05Å; M1-L4 HydrophobicContact CG-CB 4.38Å; M1-L4 HydrophobicContact SD-CB 4.24Å; M1-L4 HydrophobicContact SD-CD1 3.69Å; M1-L4 HydrophobicContact SD-CG 4.06Å; M1-M5 HydrophobicContact CG-CG 4.36Å; M1-M5 WeakPolarHBondContact O-CB 3.37Å; M1-M5 WeakPolarHBondContact O-CG 3.43Å; M1-M5 PolarHBondContact O-N 2.62Å; M1-L165 CarbonylContact C-O 3.51Å; M1-L165 WeakPolarHBondContact CA-O 3.36Å; M1-L165 HydrophobicContact CE-CB 3.51Å; M1-L165 HydrophobicContact CE-CD1 3.81Å; M1-L165 HydrophobicContact CE-CG 4.26Å; M1-L165 PolarHBondContact N-O 3.41Å; M1-L165 HydrophobicContact SD-CB 3.67Å; M1-L165 HydrophobicContact SD-CD1 4.09Å; M1-L165 HydrophobicContact SD-CD2 4.38Å; M1-L165 HydrophobicContact SD-CG 4.27Å; M1-S166 PolarHBondContact N-OG 3.31Å; M1-C176 HydrophobicContact CE-CB 4.07Å; M1-C176 WeakPolarHBondContact CE-SG 3.36Å; M1-K179 HydrophobicContact CB-CB 3.76Å; M1-K179 HydrophobicContact CB-CD 3.55Å; M1-K179 HydrophobicContact CB-CG 4.29Å; M1-K179 HydrophobicContact CG-CB 3.43Å; M1-K179 VanDerWaalsContact CG-CB 3.43Å; M1-K179 HydrophobicContact CG-CD 4.23Å; M1-K179 HydrophobicContact CG-CG 4.46Å; M1-I180 HydrophobicContact CE-CD1 3.81Å; M1-I180 HydrophobicContact CE-CG1 3.75Å; M1-I180 HydrophobicContact CG-CG1 4.49Å; M1-I180 HydrophobicContact SD-CD1 4.39Å; M1-I180 HydrophobicContact SD-CG1 3.8Å
2A59.5Low81.1Confident9 Ų959.4 Ų59.47%0.07427%0.273CS..Hα-helixtrans-60-39.5176.600000111.1L4 M5 E6 L165 K167A2-L4 PolarHBondContact O-N 3.31Å; A2-M5 PolarHBondContact O-N 2.73Å; A2-E6 VanDerWaalsContact CB-OE1 3.24Å; A2-E6 WeakPolarHBondContact CB-OE1 3.5Å; A2-E6 WeakPolarHBondContact O-CB 3.24Å; A2-E6 VanDerWaalsContact O-CD 3.27Å; A2-E6 WeakPolarHBondContact O-CG 3.48Å; A2-E6 PolarHBondContact O-N 3.07Å; A2-L165 PolarHBondContact N-O 3.11Å; A2-K167 HydrophobicContact CB-CD 3.68Å; A2-K167 VanDerWaalsContact CB-CE 3.48Å; A2-K167 HydrophobicContact CB-CG 4.19Å
3L70.4Confident82.2Confident29 Ų2960 Ų6015%0.15229%0.285CS..Hα-helixtrans-61.3-40.8-175-160.8132.7000113.9M1 T32M1-L3 PolarHBondContact O-N 3.05Å; L3-T32 WeakPolarHBondContact CD1-OG1 3Å; L3-T32 WeakPolarHBondContact CD2-OG1 3.46Å
4L75.1Confident83Confident1 Ų163.6 Ų63.61%0.00533%0.33CS..Hα-helixtrans-86.7-28.6179.2-62.3-177.4000113.2M1 A2 L30 L108 L165 I180 F183M1-L4 HydrophobicContact CG-CB 4.38Å; M1-L4 HydrophobicContact SD-CB 4.24Å; M1-L4 HydrophobicContact SD-CD1 3.69Å; M1-L4 HydrophobicContact SD-CG 4.06Å; A2-L4 PolarHBondContact O-N 3.31Å; L4-L30 HydrophobicContact CD2-CD2 4.41Å; L4-L108 HydrophobicContact CD1-CD1 4.11Å; L4-L165 HydrophobicContact CD1-CD2 4.45Å; L4-L165 HydrophobicContact CG-CD2 4.5Å; L4-I180 HydrophobicContact CD1-CG1 4.09Å; L4-F183 HydrophobicContact CB-CB 4.24Å; L4-F183 HydrophobicContact CB-CD2 4.03Å; L4-F183 HydrophobicContact CB-CG 4.02Å; L4-F183 HydrophobicContact CD1-CD1 4.25Å; L4-F183 HydrophobicContact CD1-CG 4.45Å; L4-F183 HydrophobicContact CD2-CD1 4.42Å; L4-F183 HydrophobicContact CD2-CD2 4.49Å; L4-F183 HydrophobicContact CD2-CE1 4.24Å; L4-F183 HydrophobicContact CD2-CE2 4.3Å; L4-F183 HydrophobicContact CD2-CZ 4.18Å; L4-F183 VanDerWaalsContact O-CD2 3.31Å; L4-F183 WeakPolarHBondContact O-CD2 3.47Å
5M79.3Confident83.7Confident63 Ų6365.9 Ų65.931%0.3134%0.343SS..Hα-helixtrans-88.3-22.2-176.9-66.1-61.7-60.600113.5M1 A2 H7 K179 K182M1-M5 HydrophobicContact CG-CG 4.36Å; M1-M5 WeakPolarHBondContact O-CB 3.37Å; M1-M5 WeakPolarHBondContact O-CG 3.43Å; M1-M5 PolarHBondContact O-N 2.62Å; A2-M5 PolarHBondContact O-N 2.73Å; M5-H7 VanDerWaalsContact C-N 3.26Å; M5-K179 HydrophobicContact CG-CB 3.92Å; M5-K179 HydrophobicContact CG-CD 4.28Å; M5-K179 HydrophobicContact CG-CG 4.15Å; M5-K179 HydrophobicContact SD-CB 4.03Å; M5-K179 HydrophobicContact SD-CG 4.42Å; M5-K179 VanDerWaalsContact SD-O 3.41Å; M5-K182 HydrophobicContact CE-CB 4.38Å; M5-K182 HydrophobicContact SD-CB 4.29Å
6E79.6Confident84.3Confident108 Ų10868.3 Ų68.351%0.50535%0.346SS..SBendtrans-71.2-23.3175.1-75.3163.6-172.400111.9A2 K167A2-E6 VanDerWaalsContact CB-OE1 3.24Å; A2-E6 WeakPolarHBondContact CB-OE1 3.5Å; A2-E6 WeakPolarHBondContact O-CB 3.24Å; A2-E6 VanDerWaalsContact O-CD 3.27Å; A2-E6 WeakPolarHBondContact O-CG 3.48Å; A2-E6 PolarHBondContact O-N 3.07Å; E6-K167 VanDerWaalsContact CD-NZ 3.33Å; E6-K167 IonicContact OE1-NZ 2.73Å; E6-K167 PolarHBondContact OE1-NZ 3.03Å; E6-K167 VanDerWaalsContact OE1-NZ 3.07Å; E6-K167 IonicContact OE2-NZ 2.62Å; E6-K167 PolarHBondContact OE2-NZ 3.4Å
7H83.3Confident85Confident48 Ų4868.9 Ų68.922%0.22235%0.347CS..SBendtrans-132.364.8-170.9-54.9-63.1000111.7M5 Y29M5-H7 VanDerWaalsContact C-N 3.26Å; H7-Y29 HydrophobicContact CB-CD2 3.68Å; H7-Y29 HydrophobicContact CB-CE2 4.34Å; H7-Y29 HydrophobicContact CB-CG 3.98Å; H7-Y29 AromaticContact CD2-CD1 3.41Å; H7-Y29 VanDerWaalsContact CD2-CD1 3.41Å; H7-Y29 WeakPolarHBondContact CD2-CD1 3.32Å; H7-Y29 AromaticContact CD2-CD2 3.72Å; H7-Y29 AromaticContact CD2-CE1 3.89Å; H7-Y29 AromaticContact CD2-CG 3.3Å; H7-Y29 AromaticContact CE1-CD1 3.62Å; H7-Y29 AromaticContact CE1-CD2 3.84Å; H7-Y29 AromaticContact CE1-CE1 3.24Å; H7-Y29 WeakPolarHBondContact CE1-CE1 3.32Å; H7-Y29 AromaticContact CE1-CE2 3.51Å; H7-Y29 AromaticContact CE1-CG 3.89Å; H7-Y29 AromaticContact CE1-CZ 3.18Å; H7-Y29 AromaticContact CG-CD1 3.85Å; H7-Y29 AromaticContact CG-CD2 3.26Å; H7-Y29 AromaticContact CG-CE2 3.65Å; H7-Y29 AromaticContact CG-CG 3.38Å; H7-Y29 AromaticContact ND1-CD1 3.98Å; H7-Y29 AromaticContact ND1-CD2 3.37Å; H7-Y29 WeakPolarHBondContact ND1-CD2 3.48Å; H7-Y29 AromaticContact ND1-CE1 3.81Å; H7-Y29 AromaticContact ND1-CE2 3.19Å; H7-Y29 WeakPolarHBondContact ND1-CE2 3.22Å; H7-Y29 AromaticContact ND1-CG 3.76Å; H7-Y29 AromaticContact ND1-CZ 3.42Å; H7-Y29 AromaticContact NE2-CD1 3.25Å; H7-Y29 VanDerWaalsContact NE2-CD1 3.25Å; H7-Y29 WeakPolarHBondContact NE2-CD1 3.31Å; H7-Y29 AromaticContact NE2-CE1 3.29Å; H7-Y29 VanDerWaalsContact NE2-CE1 3.29Å; H7-Y29 WeakPolarHBondContact NE2-CE1 3.41Å; H7-Y29 AromaticContact NE2-CG 3.66Å; H7-Y29 AromaticContact NE2-CZ 3.74Å
8Q88.1Confident85.7Confident95 Ų9565.9 Ų65.944%0.44433%0.333SS..PPolyproline II helixtrans-76.1145.7179.7-62.9-165.9-44.800112.4
9F94.1Very high86.4Confident7 Ų766.7 Ų66.73%0.03134%0.336CS..PPolyproline II helixtrans-69.1141.6168.2-74.8-102000109.8F23 A26 V27 L30 F183 N186 F187 T190F9-F23 HydrophobicContact CE1-CD2 4.05Å; F9-F23 HydrophobicContact CE1-CE2 4.26Å; F9-A26 HydrophobicContact CD1-CB 4.12Å; F9-A26 HydrophobicContact CD2-CB 4.18Å; F9-A26 HydrophobicContact CE1-CB 3.95Å; F9-A26 HydrophobicContact CE2-CB 3.98Å; F9-A26 HydrophobicContact CG-CB 4.23Å; F9-A26 HydrophobicContact CZ-CB 3.87Å; F9-V27 HydrophobicContact CE1-CG1 3.91Å; F9-V27 HydrophobicContact CZ-CG1 3.69Å; F9-L30 HydrophobicContact CE2-CD1 4.22Å; F9-L30 HydrophobicContact CZ-CD1 4.01Å; F9-F183 AromaticContact CD2-CE2 3.94Å; F9-F183 HydrophobicContact CD2-CE2 3.94Å; F9-F183 HydrophobicContact CD2-CZ 4.26Å; F9-F183 AromaticContact CE2-CE2 3.97Å; F9-F183 HydrophobicContact CE2-CE2 3.97Å; F9-F183 HydrophobicContact CE2-CZ 4Å; F9-N186 HydrophobicContact CB-CB 3.82Å; F9-N186 WeakPolarHBondContact O-CB 3.31Å; F9-N186 PolarHBondContact O-ND2 3.47Å; F9-F187 HydrophobicContact CD1-CD2 4.43Å; F9-F187 HydrophobicContact CD2-CB 3.95Å; F9-F187 AromaticContact CD2-CD2 3.66Å; F9-F187 HydrophobicContact CD2-CD2 3.66Å; F9-F187 HydrophobicContact CD2-CG 4.25Å; F9-F187 HydrophobicContact CE1-CD2 4.1Å; F9-F187 HydrophobicContact CE2-CB 4.41Å; F9-F187 AromaticContact CE2-CD2 3.29Å; F9-F187 HydrophobicContact CE2-CD2 3.29Å; F9-F187 AromaticContact CE2-CE2 3.88Å; F9-F187 HydrophobicContact CE2-CE2 3.88Å; F9-F187 HydrophobicContact CE2-CG 4.21Å; F9-F187 HydrophobicContact CG-CB 4.4Å; F9-F187 HydrophobicContact CG-CD2 4.23Å; F9-F187 AromaticContact CZ-CD2 3.53Å; F9-F187 HydrophobicContact CZ-CD2 3.53Å; F9-F187 AromaticContact CZ-CE2 3.8Å; F9-F187 HydrophobicContact CZ-CE2 3.8Å; F9-T190 HydrophobicContact CD1-CG2 3.89Å; F9-T190 HydrophobicContact CE1-CG2 4.26Å
10R94.6Very high87Confident157 Ų15763.4 Ų63.459%0.59232%0.319SS*.PPolyproline II helixtrans-64.9147.6173.6-67.9-171.8179.1-179.1-1.5109.9L12 E19 P22R10-L12 PolarHBondContact O-N 2.73Å; R10-E19 IonicContact CZ-OE2 2.63Å; R10-E19 IonicContact NH1-OE2 3.14Å; R10-E19 PolarHBondContact NH1-OE2 3.41Å; R10-P22 HydrophobicContact CG-CB 4.26Å; R10-P22 VanDerWaalsContact NH1-CG 3.27Å
11Q96.4Very high87.5Confident157 Ų15767.6 Ų67.673%0.73433%0.331SS*.PPolyproline II helixtrans-61.2135.2166.6-176177.94.200108.7N186Q11-N186 PolarHBondContact N-ND2 2.93Å
12L96.1Very high89.4Confident34 Ų3468.4 Ų68.418%0.17834%0.337CS..PPolyproline II helixtrans-69.5141.2177.6-67.9-178.3000111R10 R16 V18 A189 A193R10-L12 PolarHBondContact O-N 2.73Å; L12-R16 HydrophobicContact CD1-CB 4.49Å; L12-V18 HydrophobicContact CD2-CG2 3.9Å; L12-A189 HydrophobicContact CD1-CB 4.15Å; L12-A189 VanDerWaalsContact CD1-O 3.31Å; L12-A189 WeakPolarHBondContact CD1-O 3.5Å; L12-A193 HydrophobicContact CD1-CB 3.65Å
13P95.6Very high91.3Very high67 Ų6768.2 Ų68.244%0.43533%0.334SS..PPolyproline II helixtrans-64167.9166.929.2-35.7000111.5D15 R16 Q17P13-D15 WeakPolarHBondContact CB-OD1 3.27Å; P13-D15 WeakPolarHBondContact CG-OD1 3.44Å; P13-D15 PolarHBondContact O-N 3.09Å; P13-R16 WeakPolarHBondContact O-CA 3.44Å; P13-R16 PolarHBondContact O-N 3.27Å; P13-Q17 VanDerWaalsContact CD-O 3.31Å; P13-Q17 WeakPolarHBondContact CD-O 3.29Å; P13-Q17 HydrophobicContact CG-CB 4.48Å; P13-Q17 WeakPolarHBondContact CG-O 3.31Å
14A93.9Very high92.6Very high111 Ų11167.2 Ų67.292%0.91733%0.329SS*.THydrogen-bonded Turntrans-60.3-31.7-178.500000113.5R16A14-R16 PolarHBondContact O-N 2.88Å
15D92.6Very high93.5Very high97 Ų9771 Ų7152%0.51935%0.349SS..THydrogen-bonded Turntrans-79.90.1175.768.2-3.4000113.4P13 Q17P13-D15 WeakPolarHBondContact CB-OD1 3.27Å; P13-D15 WeakPolarHBondContact CG-OD1 3.44Å; P13-D15 PolarHBondContact O-N 3.09Å; D15-Q17 PolarHBondContact O-N 3.02Å; D15-Q17 VanDerWaalsContact O-N 3.16Å; D15-Q17 PolarHBondContact OD1-N 3.38Å; D15-Q17 VanDerWaalsContact OD1-N 3.15Å; D15-Q17 PolarHBondContact OD2-NE2 3.23Å
16R94.2Very high94.2Very high105 Ų10568.3 Ų68.340%0.39634%0.337SS..  trans58.120179.6-57.7-177.365.8-160.5-8.4114.3L12 P13 A14 D196L12-R16 HydrophobicContact CD1-CB 4.49Å; P13-R16 WeakPolarHBondContact O-CA 3.44Å; P13-R16 PolarHBondContact O-N 3.27Å; A14-R16 PolarHBondContact O-N 2.88Å; R16-D196 IonicContact CZ-OD2 3.25Å; R16-D196 VanDerWaalsContact CZ-OD2 3.25Å; R16-D196 IonicContact NH1-OD2 2.81Å; R16-D196 PolarHBondContact NH1-OD2 3.42Å; R16-D196 IonicContact NH2-OD2 2.88Å; R16-D196 PolarHBondContact NH2-OD2 2.93Å
17Q95.5Very high95Very high78 Ų7863.2 Ų63.236%0.36431%0.313SS..  trans-68.7137.5174.5-71.8-165.566.700111.6P13 D15 T69P13-Q17 VanDerWaalsContact CD-O 3.31Å; P13-Q17 WeakPolarHBondContact CD-O 3.29Å; P13-Q17 HydrophobicContact CG-CB 4.48Å; P13-Q17 WeakPolarHBondContact CG-O 3.31Å; D15-Q17 PolarHBondContact O-N 3.02Å; D15-Q17 VanDerWaalsContact O-N 3.16Å; D15-Q17 PolarHBondContact OD1-N 3.38Å; D15-Q17 VanDerWaalsContact OD1-N 3.15Å; D15-Q17 PolarHBondContact OD2-NE2 3.23Å; Q17-T69 HydrophobicContact CB-CG2 4.26Å; Q17-T69 PolarHBondContact OE1-OG1 3.32Å
18V98.3Very high95.5Very high16 Ų1663.6 Ų63.610%0.09732%0.321CS..  trans-103111.4178.1-174.90000108.9L12 T20 F23 T69 L70 T190 A193 V194L12-V18 HydrophobicContact CD2-CG2 3.9Å; V18-T20 PolarHBondContact O-N 3.47Å; V18-F23 HydrophobicContact CG1-CB 3.76Å; V18-F23 HydrophobicContact CG1-CD2 3.92Å; V18-F23 HydrophobicContact CG1-CG 4.05Å; V18-T69 CarbonylContact O-C 3.59Å; V18-T69 WeakPolarHBondContact O-CA 3.28Å; V18-T69 VanDerWaalsContact O-CB 3.31Å; V18-T69 WeakPolarHBondContact O-CB 3.34Å; V18-L70 HydrophobicContact CB-CD1 3.87Å; V18-L70 HydrophobicContact CB-CG 4.13Å; V18-L70 HydrophobicContact CG1-CD1 3.58Å; V18-L70 HydrophobicContact CG1-CG 4.05Å; V18-L70 PolarHBondContact O-N 3.19Å; V18-T190 HydrophobicContact CG1-CG2 3.97Å; V18-T190 HydrophobicContact CG2-CG2 4.21Å; V18-A193 HydrophobicContact CG2-CB 4.12Å; V18-V194 HydrophobicContact CG2-CG2 4.34Å
19E98.3Very high95.6Very high80 Ų8063.8 Ų63.837%0.37432%0.319SS..BIsolated β-bridgetrans-65.1127.7173.7-64.1-171.2142.600110.4R10 R21 P22 F23 K68R10-E19 IonicContact CZ-OE2 2.63Å; R10-E19 IonicContact NH1-OE2 3.14Å; R10-E19 PolarHBondContact NH1-OE2 3.41Å; E19-R21 PolarHBondContact O-N 2.84Å; E19-P22 HydrophobicContact CB-CG 3.84Å; E19-P22 WeakPolarHBondContact O-CD 3.24Å; E19-P22 WeakPolarHBondContact OE2-CG 3.29Å; E19-F23 VanDerWaalsContact O-CB 3.27Å; E19-F23 WeakPolarHBondContact O-CB 3.2Å; E19-F23 PolarHBondContact O-N 3.36Å; E19-F23 VanDerWaalsContact O-N 3.13Å; E19-K68 WeakPolarHBondContact CA-O 3.36Å
20T98.6Very high95.4Very high0 Ų063.8 Ų63.80%032%0.319CS..Hα-helixtrans-63.6-46.8-170.8-54.60000112.2V18 F23 L24 Y60 Y67 K68 T69 L70 L73V18-T20 PolarHBondContact O-N 3.47Å; T20-F23 PolarHBondContact O-N 2.97Å; T20-L24 HydrophobicContact CG2-CD1 3.82Å; T20-L24 HydrophobicContact CG2-CG 4.26Å; T20-L24 WeakPolarHBondContact O-CB 3.25Å; T20-L24 VanDerWaalsContact O-CG 3.3Å; T20-L24 WeakPolarHBondContact O-CG 3.19Å; T20-L24 PolarHBondContact O-N 3.43Å; T20-Y60 HydrophobicContact CG2-CD2 3.45Å; T20-Y60 VanDerWaalsContact CG2-CD2 3.45Å; T20-Y60 HydrophobicContact CG2-CE2 4.14Å; T20-Y60 HydrophobicContact CG2-CG 3.87Å; T20-Y67 VanDerWaalsContact CB-O 3.23Å; T20-Y67 WeakPolarHBondContact CB-O 3.22Å; T20-Y67 PolarHBondContact OG1-O 2.87Å; T20-K68 PolarHBondContact N-O 2.7Å; T20-K68 PolarHBondContact OG1-O 2.72Å; T20-T69 WeakPolarHBondContact OG1-CA 3.34Å; T20-T69 PolarHBondContact OG1-O 2.89Å; T20-L70 HydrophobicContact CG2-CD2 3.9Å; T20-L70 PolarHBondContact OG1-N 3.2Å; T20-L73 HydrophobicContact CG2-CD1 4.33Å
21R97.8Very high95.3Very high152 Ų15256.5 Ų56.557%0.57429%0.292SS*.Hα-helixtrans-64.9-53.3-177.3171.4174.9-174.2178.24.1113.1E19 F23 L24 D25 Y60E19-R21 PolarHBondContact O-N 2.84Å; R21-F23 PolarHBondContact O-N 3.39Å; R21-L24 PolarHBondContact O-N 2.99Å; R21-L24 VanDerWaalsContact O-N 3.16Å; R21-D25 WeakPolarHBondContact O-CB 3.37Å; R21-D25 VanDerWaalsContact O-CG 3.23Å; R21-D25 PolarHBondContact O-N 3.33Å; R21-Y60 HydrophobicContact CB-CE1 3.95Å; R21-Y60 HydrophobicContact CB-CE2 4.4Å; R21-Y60 WeakPolarHBondContact CB-OH 3.46Å
22P96.9Very high94.8Very high22 Ų2251.3 Ų51.314%0.14327%0.271CS..Hα-helixtrans-59.2-35175.8-2535000113.4R10 E19 A26R10-P22 HydrophobicContact CG-CB 4.26Å; R10-P22 VanDerWaalsContact NH1-CG 3.27Å; E19-P22 HydrophobicContact CB-CG 3.84Å; E19-P22 WeakPolarHBondContact O-CD 3.24Å; E19-P22 WeakPolarHBondContact OE2-CG 3.29Å; P22-A26 WeakPolarHBondContact O-CB 3.23Å; P22-A26 PolarHBondContact O-N 3.31Å
23F98Very high94.4Very high6 Ų649.7 Ų49.73%0.02626%0.262CS..Hα-helixtrans-62.1-52.8173.2172.1-95.6000111.2F9 V18 E19 T20 R21 D25 A26 V27 L70 L94 L97 L101 T190 V194F9-F23 HydrophobicContact CE1-CD2 4.05Å; F9-F23 HydrophobicContact CE1-CE2 4.26Å; V18-F23 HydrophobicContact CG1-CB 3.76Å; V18-F23 HydrophobicContact CG1-CD2 3.92Å; V18-F23 HydrophobicContact CG1-CG 4.05Å; E19-F23 VanDerWaalsContact O-CB 3.27Å; E19-F23 WeakPolarHBondContact O-CB 3.2Å; E19-F23 PolarHBondContact O-N 3.36Å; E19-F23 VanDerWaalsContact O-N 3.13Å; T20-F23 PolarHBondContact O-N 2.97Å; R21-F23 PolarHBondContact O-N 3.39Å; F23-D25 VanDerWaalsContact C-N 3.34Å; F23-D25 PolarHBondContact O-N 2.94Å; F23-A26 PolarHBondContact O-N 3.35Å; F23-V27 HydrophobicContact CD1-CG1 4.47Å; F23-V27 HydrophobicContact CD1-CG2 4.39Å; F23-V27 HydrophobicContact CD2-CG1 4.17Å; F23-V27 HydrophobicContact CE1-CG1 4.07Å; F23-V27 HydrophobicContact CE1-CG2 4.17Å; F23-V27 HydrophobicContact CE2-CG1 3.75Å; F23-V27 HydrophobicContact CZ-CG1 3.7Å; F23-V27 WeakPolarHBondContact O-CG2 3.18Å; F23-V27 PolarHBondContact O-N 3.12Å; F23-L70 HydrophobicContact CD1-CD1 3.9Å; F23-L70 HydrophobicContact CD1-CD2 4.03Å; F23-L70 HydrophobicContact CD1-CG 4.48Å; F23-L70 HydrophobicContact CD2-CD1 4.14Å; F23-L70 HydrophobicContact CE1-CD1 4.06Å; F23-L70 HydrophobicContact CE1-CD2 4.43Å; F23-L70 HydrophobicContact CE2-CD1 4.28Å; F23-L70 HydrophobicContact CG-CD1 3.93Å; F23-L70 HydrophobicContact CZ-CD1 4.24Å; F23-L94 HydrophobicContact CE1-CD1 3.79Å; F23-L94 HydrophobicContact CZ-CD1 3.87Å; F23-L97 HydrophobicContact CE1-CD2 4.15Å; F23-L97 HydrophobicContact CZ-CD2 4.3Å; F23-L101 HydrophobicContact CE2-CD1 3.89Å; F23-L101 HydrophobicContact CZ-CD1 3.75Å; F23-T190 HydrophobicContact CD2-CG2 3.86Å; F23-T190 HydrophobicContact CE2-CG2 4.17Å; F23-V194 HydrophobicContact CE2-CG2 4.39Å
24L97.7Very high94Very high7 Ų746.7 Ų46.74%0.03724%0.242CC..Hα-helixtrans-58.7-43.6178.2-73.7176.1000112.2T20 R21 A26 V27 S28 I53 I56 K57 Y60T20-L24 HydrophobicContact CG2-CD1 3.82Å; T20-L24 HydrophobicContact CG2-CG 4.26Å; T20-L24 WeakPolarHBondContact O-CB 3.25Å; T20-L24 VanDerWaalsContact O-CG 3.3Å; T20-L24 WeakPolarHBondContact O-CG 3.19Å; T20-L24 PolarHBondContact O-N 3.43Å; R21-L24 PolarHBondContact O-N 2.99Å; R21-L24 VanDerWaalsContact O-N 3.16Å; L24-A26 PolarHBondContact O-N 3.48Å; L24-V27 HydrophobicContact CD2-CG2 4.42Å; L24-V27 WeakPolarHBondContact O-CG2 3.46Å; L24-V27 PolarHBondContact O-N 3.43Å; L24-S28 VanDerWaalsContact O-CB 3.31Å; L24-S28 WeakPolarHBondContact O-CB 3.45Å; L24-S28 PolarHBondContact O-N 3.21Å; L24-I53 HydrophobicContact CD2-CG2 4.33Å; L24-I56 HydrophobicContact CD1-CG2 4.34Å; L24-I56 HydrophobicContact CD2-CB 4.07Å; L24-I56 HydrophobicContact CD2-CG2 3.79Å; L24-I56 HydrophobicContact CG-CG2 4.49Å; L24-K57 HydrophobicContact CD1-CB 4.07Å; L24-Y60 HydrophobicContact CD1-CD1 4.43Å; L24-Y60 HydrophobicContact CD1-CG 4.31Å
25D95.1Very high93.7Very high80 Ų8044 Ų4443%0.42821%0.213SC..Hα-helixtrans-58.4-48.5175.8-68.5-19.9000109.9R21 F23 S28 Y29R21-D25 WeakPolarHBondContact O-CB 3.37Å; R21-D25 VanDerWaalsContact O-CG 3.23Å; R21-D25 PolarHBondContact O-N 3.33Å; F23-D25 VanDerWaalsContact C-N 3.34Å; F23-D25 PolarHBondContact O-N 2.94Å; D25-S28 PolarHBondContact O-N 3.37Å; D25-S28 PolarHBondContact O-OG 2.82Å; D25-Y29 WeakPolarHBondContact O-CD2 3.41Å; D25-Y29 WeakPolarHBondContact O-CE2 3.36Å
26A94.3Very high93.5Very high8 Ų840.2 Ų40.27%0.06619%0.194CC..Hα-helixtrans-66.1-46.1179.200000113.2F9 P22 F23 L24 S28 Y29F9-A26 HydrophobicContact CD1-CB 4.12Å; F9-A26 HydrophobicContact CD2-CB 4.18Å; F9-A26 HydrophobicContact CE1-CB 3.95Å; F9-A26 HydrophobicContact CE2-CB 3.98Å; F9-A26 HydrophobicContact CG-CB 4.23Å; F9-A26 HydrophobicContact CZ-CB 3.87Å; P22-A26 WeakPolarHBondContact O-CB 3.23Å; P22-A26 PolarHBondContact O-N 3.31Å; F23-A26 PolarHBondContact O-N 3.35Å; L24-A26 PolarHBondContact O-N 3.48Å; A26-S28 VanDerWaalsContact C-N 3.27Å; A26-S28 PolarHBondContact O-N 3.38Å; A26-Y29 PolarHBondContact O-N 3.12Å
27V95.4Very high93.1Very high1 Ų135.3 Ų35.31%0.00618%0.175CC..Hα-helixtrans-69.9-23.1-178.8-61.60000112.9F9 F23 L24 Y29 L30 P31 I53 L97 L101F9-V27 HydrophobicContact CE1-CG1 3.91Å; F9-V27 HydrophobicContact CZ-CG1 3.69Å; F23-V27 HydrophobicContact CD1-CG1 4.47Å; F23-V27 HydrophobicContact CD1-CG2 4.39Å; F23-V27 HydrophobicContact CD2-CG1 4.17Å; F23-V27 HydrophobicContact CE1-CG1 4.07Å; F23-V27 HydrophobicContact CE1-CG2 4.17Å; F23-V27 HydrophobicContact CE2-CG1 3.75Å; F23-V27 HydrophobicContact CZ-CG1 3.7Å; F23-V27 WeakPolarHBondContact O-CG2 3.18Å; F23-V27 PolarHBondContact O-N 3.12Å; L24-V27 HydrophobicContact CD2-CG2 4.42Å; L24-V27 WeakPolarHBondContact O-CG2 3.46Å; L24-V27 PolarHBondContact O-N 3.43Å; V27-Y29 PolarHBondContact O-N 2.76Å; V27-Y29 VanDerWaalsContact O-N 3.12Å; V27-L30 HydrophobicContact CB-CD1 4.33Å; V27-L30 HydrophobicContact CG1-CD1 4.21Å; V27-L30 WeakPolarHBondContact O-CB 3.08Å; V27-L30 PolarHBondContact O-N 3.14Å; V27-P31 WeakPolarHBondContact O-CD 3.49Å; V27-I53 HydrophobicContact CB-CD1 4.27Å; V27-I53 HydrophobicContact CG2-CD1 4Å; V27-I53 HydrophobicContact CG2-CG1 3.98Å; V27-I53 HydrophobicContact CG2-CG2 4.48Å; V27-I53 WeakPolarHBondContact O-CD1 3.45Å; V27-L97 HydrophobicContact CG2-CD2 4.3Å; V27-L101 HydrophobicContact CG1-CD1 3.94Å; V27-L101 HydrophobicContact CG1-CD2 4.04Å
28S94.2Very high92.6Very high55 Ų5532.6 Ų32.639%0.38517%0.168SC..THydrogen-bonded Turntrans-60.5-22.2179.972.90000113.9L24 D25 A26 P31L24-S28 VanDerWaalsContact O-CB 3.31Å; L24-S28 WeakPolarHBondContact O-CB 3.45Å; L24-S28 PolarHBondContact O-N 3.21Å; D25-S28 PolarHBondContact O-N 3.37Å; D25-S28 PolarHBondContact O-OG 2.82Å; A26-S28 VanDerWaalsContact C-N 3.27Å; A26-S28 PolarHBondContact O-N 3.38Å; S28-P31 WeakPolarHBondContact O-CD 3.43Å
29Y90.6Very high91.7Very high100 Ų10035.7 Ų35.739%0.39219%0.189SC..THydrogen-bonded Turntrans-89.9-21.2177.5-60.7-82.8000113.1H7 D25 A26 V27 P31 T32H7-Y29 HydrophobicContact CB-CD2 3.68Å; H7-Y29 HydrophobicContact CB-CE2 4.34Å; H7-Y29 HydrophobicContact CB-CG 3.98Å; H7-Y29 AromaticContact CD2-CD1 3.41Å; H7-Y29 VanDerWaalsContact CD2-CD1 3.41Å; H7-Y29 WeakPolarHBondContact CD2-CD1 3.32Å; H7-Y29 AromaticContact CD2-CD2 3.72Å; H7-Y29 AromaticContact CD2-CE1 3.89Å; H7-Y29 AromaticContact CD2-CG 3.3Å; H7-Y29 AromaticContact CE1-CD1 3.62Å; H7-Y29 AromaticContact CE1-CD2 3.84Å; H7-Y29 AromaticContact CE1-CE1 3.24Å; H7-Y29 WeakPolarHBondContact CE1-CE1 3.32Å; H7-Y29 AromaticContact CE1-CE2 3.51Å; H7-Y29 AromaticContact CE1-CG 3.89Å; H7-Y29 AromaticContact CE1-CZ 3.18Å; H7-Y29 AromaticContact CG-CD1 3.85Å; H7-Y29 AromaticContact CG-CD2 3.26Å; H7-Y29 AromaticContact CG-CE2 3.65Å; H7-Y29 AromaticContact CG-CG 3.38Å; H7-Y29 AromaticContact ND1-CD1 3.98Å; H7-Y29 AromaticContact ND1-CD2 3.37Å; H7-Y29 WeakPolarHBondContact ND1-CD2 3.48Å; H7-Y29 AromaticContact ND1-CE1 3.81Å; H7-Y29 AromaticContact ND1-CE2 3.19Å; H7-Y29 WeakPolarHBondContact ND1-CE2 3.22Å; H7-Y29 AromaticContact ND1-CG 3.76Å; H7-Y29 AromaticContact ND1-CZ 3.42Å; H7-Y29 AromaticContact NE2-CD1 3.25Å; H7-Y29 VanDerWaalsContact NE2-CD1 3.25Å; H7-Y29 WeakPolarHBondContact NE2-CD1 3.31Å; H7-Y29 AromaticContact NE2-CE1 3.29Å; H7-Y29 VanDerWaalsContact NE2-CE1 3.29Å; H7-Y29 WeakPolarHBondContact NE2-CE1 3.41Å; H7-Y29 AromaticContact NE2-CG 3.66Å; H7-Y29 AromaticContact NE2-CZ 3.74Å; D25-Y29 WeakPolarHBondContact O-CD2 3.41Å; D25-Y29 WeakPolarHBondContact O-CE2 3.36Å; A26-Y29 PolarHBondContact O-N 3.12Å; V27-Y29 PolarHBondContact O-N 2.76Å; V27-Y29 VanDerWaalsContact O-N 3.12Å; Y29-P31 VanDerWaalsContact C-CD 3.43Å; Y29-T32 WeakPolarHBondContact O-CB 2.98Å; Y29-T32 PolarHBondContact O-N 3.48Å; Y29-T32 VanDerWaalsContact O-N 3.14Å; Y29-T32 PolarHBondContact O-OG1 2.99Å
30L90.2Very high90.9Very high7 Ų736 Ų364%0.03721%0.205CC..THydrogen-bonded Turntrans-62.9-30.8-177.4-66.1174.1000114.7L4 F9 V27 T32 F33 L101 I104 F183 F187L4-L30 HydrophobicContact CD2-CD2 4.41Å; F9-L30 HydrophobicContact CE2-CD1 4.22Å; F9-L30 HydrophobicContact CZ-CD1 4.01Å; V27-L30 HydrophobicContact CB-CD1 4.33Å; V27-L30 HydrophobicContact CG1-CD1 4.21Å; V27-L30 WeakPolarHBondContact O-CB 3.08Å; V27-L30 PolarHBondContact O-N 3.14Å; L30-T32 PolarHBondContact O-N 3.19Å; L30-T32 VanDerWaalsContact O-N 3.11Å; L30-F33 WeakPolarHBondContact O-CB 3.07Å; L30-F33 PolarHBondContact O-N 2.94Å; L30-L101 HydrophobicContact CD1-CD2 3.4Å; L30-L101 VanDerWaalsContact CD1-CD2 3.4Å; L30-I104 HydrophobicContact CB-CD1 4.27Å; L30-F183 HydrophobicContact CD2-CE2 4.46Å; L30-F183 HydrophobicContact CD2-CZ 3.81Å; L30-F187 HydrophobicContact CD1-CE2 3.88Å; L30-F187 HydrophobicContact CD1-CZ 4.35Å
31P91.1Very high90.2Very high4 Ų440.1 Ų40.13%0.02623%0.226CC..Hα-helixtrans-54.9-29.7173.3-2935.2000113.9V27 S28 Y29 F33 F34 K46 I49 C50 I53V27-P31 WeakPolarHBondContact O-CD 3.49Å; S28-P31 WeakPolarHBondContact O-CD 3.43Å; Y29-P31 VanDerWaalsContact C-CD 3.43Å; P31-F33 PolarHBondContact O-N 2.9Å; P31-F34 PolarHBondContact O-N 3.16Å; P31-K46 HydrophobicContact CB-CG 3.85Å; P31-I49 HydrophobicContact CG-CG2 3.93Å; P31-C50 VanDerWaalsContact CB-SG 3.57Å; P31-I53 HydrophobicContact CG-CD1 4.02Å
32T87.6Confident89.5Confident47 Ų4733.6 Ų33.629%0.28820%0.202SC..Hα-helixtrans-68.9-16.8176.9660000113.4L3 Y29 L30 F34 D35L3-T32 WeakPolarHBondContact CD1-OG1 3Å; L3-T32 WeakPolarHBondContact CD2-OG1 3.46Å; Y29-T32 WeakPolarHBondContact O-CB 2.98Å; Y29-T32 PolarHBondContact O-N 3.48Å; Y29-T32 VanDerWaalsContact O-N 3.14Å; Y29-T32 PolarHBondContact O-OG1 2.99Å; L30-T32 PolarHBondContact O-N 3.19Å; L30-T32 VanDerWaalsContact O-N 3.11Å; T32-F34 VanDerWaalsContact C-N 3.25Å; T32-F34 PolarHBondContact O-N 3.01Å; T32-D35 WeakPolarHBondContact CA-OD2 3.39Å; T32-D35 WeakPolarHBondContact O-CB 3.5Å; T32-D35 PolarHBondContact O-N 3.31Å
33F87Confident89.1Confident0 Ų034.7 Ų34.70%021%0.213CC..Hα-helixtrans-59-37.6170.2-180-105.4000112.3L30 P31 D35 C36 L37 I104 F107 L108 L165L30-F33 WeakPolarHBondContact O-CB 3.07Å; L30-F33 PolarHBondContact O-N 2.94Å; P31-F33 PolarHBondContact O-N 2.9Å; F33-D35 PolarHBondContact O-N 3.36Å; F33-C36 WeakPolarHBondContact O-CA 3.41Å; F33-C36 WeakPolarHBondContact O-CB 3.5Å; F33-C36 PolarHBondContact O-N 3.25Å; F33-L37 HydrophobicContact CD1-CD1 4.26Å; F33-L37 HydrophobicContact CE1-CD1 3.87Å; F33-L37 HydrophobicContact CE1-CG 4.4Å; F33-I104 HydrophobicContact CD1-CG1 4.34Å; F33-I104 HydrophobicContact CE1-CG1 4.42Å; F33-I104 HydrophobicContact CE1-CG2 4.5Å; F33-F107 AromaticContact CE1-CD1 3.96Å; F33-F107 HydrophobicContact CE1-CD1 3.96Å; F33-F107 HydrophobicContact CE1-CE1 4.11Å; F33-F107 AromaticContact CZ-CD1 3.57Å; F33-F107 HydrophobicContact CZ-CD1 3.57Å; F33-F107 AromaticContact CZ-CE1 3.52Å; F33-F107 HydrophobicContact CZ-CE1 3.52Å; F33-L108 HydrophobicContact CE2-CD2 3.87Å; F33-L108 HydrophobicContact CZ-CD2 3.94Å; F33-L108 HydrophobicContact CZ-CG 4.39Å; F33-L165 HydrophobicContact CD2-CD2 3.84Å; F33-L165 HydrophobicContact CE2-CD2 3.96Å
34F87.9Confident88.6Confident4 Ų438.8 Ų38.82%0.01824%0.24CC..Hα-helixtrans-69.9-23.3-179-68.7-82.9000112.6P31 T32 C36 L37 G38 F42 I45 K46 I49 I104P31-F34 PolarHBondContact O-N 3.16Å; T32-F34 VanDerWaalsContact C-N 3.25Å; T32-F34 PolarHBondContact O-N 3.01Å; F34-C36 PolarHBondContact O-N 3.48Å; F34-L37 HydrophobicContact CD1-CD1 4.11Å; F34-L37 HydrophobicContact CE1-CD1 4.45Å; F34-L37 PolarHBondContact O-N 3.08Å; F34-L37 VanDerWaalsContact O-N 3.11Å; F34-G38 PolarHBondContact O-N 3.05Å; F34-F42 HydrophobicContact CB-CB 4.01Å; F34-F42 HydrophobicContact CD1-CB 4.25Å; F34-F42 HydrophobicContact CD1-CD1 4.1Å; F34-F42 HydrophobicContact CD1-CG 4.48Å; F34-I45 HydrophobicContact CD1-CG2 3.89Å; F34-I45 HydrophobicContact CE1-CG2 3.6Å; F34-I45 HydrophobicContact CE2-CG2 4.49Å; F34-I45 HydrophobicContact CG-CG2 4.44Å; F34-I45 HydrophobicContact CZ-CG2 3.93Å; F34-K46 HydrophobicContact CB-CB 4.36Å; F34-I49 HydrophobicContact CD2-CD1 3.82Å; F34-I49 HydrophobicContact CE2-CD1 3.18Å; F34-I49 HydrophobicContact CZ-CD1 3.61Å; F34-I104 HydrophobicContact CE2-CD1 4.05Å; F34-I104 HydrophobicContact CZ-CD1 4.24Å; F34-I104 HydrophobicContact CZ-CG1 4.28Å
35D87.5Confident88.1Confident56 Ų5641.8 Ų41.830%0.29926%0.255SS..Hα-helixtrans-64.9-28.7170.4-56.5-39.1000111.1T32 F33 L37 P39 K46T32-D35 WeakPolarHBondContact CA-OD2 3.39Å; T32-D35 WeakPolarHBondContact O-CB 3.5Å; T32-D35 PolarHBondContact O-N 3.31Å; F33-D35 PolarHBondContact O-N 3.36Å; D35-L37 VanDerWaalsContact C-N 3.29Å; D35-L37 PolarHBondContact O-N 3.37Å; D35-P39 HydrophobicContact CB-CB 4.45Å; D35-P39 WeakPolarHBondContact O-CD 3.41Å; D35-K46 WeakPolarHBondContact OD1-CD 3.37Å; D35-K46 IonicContact OD1-NZ 3.07Å; D35-K46 PolarHBondContact OD1-NZ 3.27Å; D35-K46 IonicContact OD2-NZ 2.71Å; D35-K46 PolarHBondContact OD2-NZ 3.37Å
36C88.1Confident88Confident17 Ų1740.6 Ų40.612%0.11525%0.247CC..THydrogen-bonded Turntrans-75-18.5175.8-55.20000113F33 F34 L161 A164F33-C36 WeakPolarHBondContact O-CA 3.41Å; F33-C36 WeakPolarHBondContact O-CB 3.5Å; F33-C36 PolarHBondContact O-N 3.25Å; F34-C36 PolarHBondContact O-N 3.48Å; C36-L161 HydrophobicContact CB-CD1 3.79Å; C36-A164 HydrophobicContact CB-CB 3.75Å
37L85.4Confident87.9Confident2 Ų244.2 Ų44.21%0.0127%0.271CS..THydrogen-bonded Turntrans-92.5-13.3177.2-66.4175.1000112.9F33 F34 D35 F42 F107 I124 P156 L161F33-L37 HydrophobicContact CD1-CD1 4.26Å; F33-L37 HydrophobicContact CE1-CD1 3.87Å; F33-L37 HydrophobicContact CE1-CG 4.4Å; F34-L37 HydrophobicContact CD1-CD1 4.11Å; F34-L37 HydrophobicContact CE1-CD1 4.45Å; F34-L37 PolarHBondContact O-N 3.08Å; F34-L37 VanDerWaalsContact O-N 3.11Å; D35-L37 VanDerWaalsContact C-N 3.29Å; D35-L37 PolarHBondContact O-N 3.37Å; L37-F42 HydrophobicContact CB-CD2 3.74Å; L37-F42 HydrophobicContact CB-CE2 3.75Å; L37-F42 HydrophobicContact CB-CG 4.18Å; L37-F42 HydrophobicContact CB-CZ 4.19Å; L37-F42 HydrophobicContact CD1-CE1 4.48Å; L37-F42 WeakPolarHBondContact O-CD2 2.98Å; L37-F42 WeakPolarHBondContact O-CE2 3.4Å; L37-F107 HydrophobicContact CD2-CE1 4.24Å; L37-F107 HydrophobicContact CD2-CZ 4.32Å; L37-I124 HydrophobicContact CD2-CD1 3.95Å; L37-P156 HydrophobicContact CD2-CG 4.32Å; L37-P156 VanDerWaalsContact O-CD 3.23Å; L37-P156 WeakPolarHBondContact O-CD 3.45Å; L37-L161 HydrophobicContact CD2-CD1 3.98Å; L37-L161 HydrophobicContact CD2-CD2 4.32Å
38G83.9Confident87.8Confident21 Ų2148.8 Ų48.822%0.21630%0.296CS..  trans13392.8-177.300000111.1F34 A40 I41 F42F34-G38 PolarHBondContact O-N 3.05Å; G38-A40 VanDerWaalsContact C-N 3.3Å; G38-A40 PolarHBondContact O-N 3.36Å; G38-A40 VanDerWaalsContact O-N 3.16Å; G38-I41 PolarHBondContact O-N 2.91Å; G38-I41 VanDerWaalsContact O-N 3.14Å; G38-F42 WeakPolarHBondContact O-CD2 3.44Å; G38-F42 PolarHBondContact O-N 3.21Å
39P80.3Confident87.8Confident81 Ų8146.4 Ų46.453%0.52628%0.279SS..THydrogen-bonded Turntrans-61.2-36-164.822.6-32.5000113.3D35 A43D35-P39 HydrophobicContact CB-CB 4.45Å; D35-P39 WeakPolarHBondContact O-CD 3.41Å; P39-A43 VanDerWaalsContact O-CB 3.29Å; P39-A43 WeakPolarHBondContact O-CB 3.25Å; P39-A43 PolarHBondContact O-N 3.08Å
40A82.4Confident88.1Confident87 Ų8744 Ų4472%0.71928%0.276SS*.THydrogen-bonded Turntrans-71.3-39.3179.900000113.2G38G38-A40 VanDerWaalsContact C-N 3.3Å; G38-A40 PolarHBondContact O-N 3.36Å; G38-A40 VanDerWaalsContact O-N 3.16Å
41I82.2Confident88.4Confident85 Ų8544.9 Ų44.944%0.43629%0.287SS..THydrogen-bonded Turntrans-84.5-33.9-171.7-67.5171.3000110.9G38 A151 A154G38-I41 PolarHBondContact O-N 2.91Å; G38-I41 VanDerWaalsContact O-N 3.14Å; I41-A151 HydrophobicContact CG2-CB 4.18Å; I41-A154 HydrophobicContact CD1-CB 3.14Å; I41-A154 HydrophobicContact CG1-CB 4.43Å; I41-A154 HydrophobicContact CG2-CB 4.35Å
42F84.5Confident88.7Confident15 Ų1545 Ų457%0.06629%0.287CS..SBendtrans-93.83.4178.4-65.4-88.5000113.3F34 L37 G38 I45 K46F34-F42 HydrophobicContact CB-CB 4.01Å; F34-F42 HydrophobicContact CD1-CB 4.25Å; F34-F42 HydrophobicContact CD1-CD1 4.1Å; F34-F42 HydrophobicContact CD1-CG 4.48Å; L37-F42 HydrophobicContact CB-CD2 3.74Å; L37-F42 HydrophobicContact CB-CE2 3.75Å; L37-F42 HydrophobicContact CB-CG 4.18Å; L37-F42 HydrophobicContact CB-CZ 4.19Å; L37-F42 HydrophobicContact CD1-CE1 4.48Å; L37-F42 WeakPolarHBondContact O-CD2 2.98Å; L37-F42 WeakPolarHBondContact O-CE2 3.4Å; G38-F42 WeakPolarHBondContact O-CD2 3.44Å; G38-F42 PolarHBondContact O-N 3.21Å; F42-I45 HydrophobicContact CD1-CD1 3.61Å; F42-I45 HydrophobicContact CE1-CD1 4.2Å; F42-I45 PolarHBondContact O-N 3.47Å; F42-I45 VanDerWaalsContact O-N 3.16Å; F42-K46 PolarHBondContact O-N 2.61Å
43A87.8Confident89.2Confident45 Ų4543.4 Ų43.437%0.37228%0.277SS..Hα-helixtrans-54.4-43.5176.800000114.1P39 I45 K46 S47P39-A43 VanDerWaalsContact O-CB 3.29Å; P39-A43 WeakPolarHBondContact O-CB 3.25Å; P39-A43 PolarHBondContact O-N 3.08Å; A43-I45 VanDerWaalsContact C-N 3.33Å; A43-I45 PolarHBondContact O-N 3.22Å; A43-K46 PolarHBondContact O-N 3.14Å; A43-S47 WeakPolarHBondContact O-CB 3.34Å; A43-S47 PolarHBondContact O-N 2.92Å
44P87.8Confident89.8Confident93 Ų9347.8 Ų47.860%0.60430%0.304SS*.Hα-helixtrans-61.8-40.9177.3-24.135.4000112.5S47 D48P44-S47 PolarHBondContact O-N 3.23Å; P44-D48 PolarHBondContact O-N 3.18Å
45I87.8Confident90.3Very high69 Ų6952.9 Ų52.935%0.35433%0.326SS..Hα-helixtrans-65.2-45.4178.2-65.1161.2000110.1F34 F42 A43 S47 D48 I49F34-I45 HydrophobicContact CD1-CG2 3.89Å; F34-I45 HydrophobicContact CE1-CG2 3.6Å; F34-I45 HydrophobicContact CE2-CG2 4.49Å; F34-I45 HydrophobicContact CG-CG2 4.44Å; F34-I45 HydrophobicContact CZ-CG2 3.93Å; F42-I45 HydrophobicContact CD1-CD1 3.61Å; F42-I45 HydrophobicContact CE1-CD1 4.2Å; F42-I45 PolarHBondContact O-N 3.47Å; F42-I45 VanDerWaalsContact O-N 3.16Å; A43-I45 VanDerWaalsContact C-N 3.33Å; A43-I45 PolarHBondContact O-N 3.22Å; I45-S47 VanDerWaalsContact C-N 3.31Å; I45-S47 PolarHBondContact O-N 3.39Å; I45-D48 PolarHBondContact O-N 2.99Å; I45-I49 HydrophobicContact CG2-CD1 3.8Å; I45-I49 VanDerWaalsContact O-CD1 3.31Å; I45-I49 WeakPolarHBondContact O-CD1 3.28Å; I45-I49 VanDerWaalsContact O-CG1 3.24Å; I45-I49 WeakPolarHBondContact O-CG1 3.48Å; I45-I49 PolarHBondContact O-N 3.29Å; I45-I49 VanDerWaalsContact O-N 3.17Å
46K91.8Very high90.8Very high56 Ų5650.2 Ų50.224%0.24331%0.312CS..Hα-helixtrans-57.7-45175.2-176.6-179.5178.1178.40111.6P31 F34 D35 F42 A43 C50P31-K46 HydrophobicContact CB-CG 3.85Å; F34-K46 HydrophobicContact CB-CB 4.36Å; D35-K46 WeakPolarHBondContact OD1-CD 3.37Å; D35-K46 IonicContact OD1-NZ 3.07Å; D35-K46 PolarHBondContact OD1-NZ 3.27Å; D35-K46 IonicContact OD2-NZ 2.71Å; D35-K46 PolarHBondContact OD2-NZ 3.37Å; F42-K46 PolarHBondContact O-N 2.61Å; A43-K46 PolarHBondContact O-N 3.14Å; K46-C50 WeakPolarHBondContact O-CB 3.48Å; K46-C50 PolarHBondContact O-N 2.84Å; K46-C50 PolarHBondContact O-SG 3.32Å
47S92.9Very high91.3Very high84 Ų8453.7 Ų53.759%0.58733%0.325SS*.Hα-helixtrans-63.3-42179.6-171.70000112.4A43 P44 I45 C50 G51A43-S47 WeakPolarHBondContact O-CB 3.34Å; A43-S47 PolarHBondContact O-N 2.92Å; P44-S47 PolarHBondContact O-N 3.23Å; I45-S47 VanDerWaalsContact C-N 3.31Å; I45-S47 PolarHBondContact O-N 3.39Å; S47-C50 PolarHBondContact O-N 3.11Å; S47-G51 PolarHBondContact O-N 2.92Å
48D92.6Very high91.9Very high97 Ų9756.3 Ų56.352%0.51935%0.347SS..Hα-helixtrans-59.1-51.7177.7-174.461.5000111.1P44 I45 C50 G51 N52P44-D48 PolarHBondContact O-N 3.18Å; I45-D48 PolarHBondContact O-N 2.99Å; D48-C50 PolarHBondContact O-N 3.35Å; D48-G51 CarbonylContact O-C 3.54Å; D48-G51 WeakPolarHBondContact O-CA 3.12Å; D48-G51 PolarHBondContact O-N 3.01Å; D48-N52 PolarHBondContact O-N 3.17Å; D48-N52 PolarHBondContact O-OD1 2.63Å
49I94.1Very high92.6Very high5 Ų556.9 Ų56.93%0.02635%0.346CS..Hα-helixtrans-60.7-45.4179.2-59.8159.2000111.3P31 F34 I45 G51 N52 I53 L97 C100P31-I49 HydrophobicContact CG-CG2 3.93Å; F34-I49 HydrophobicContact CD2-CD1 3.82Å; F34-I49 HydrophobicContact CE2-CD1 3.18Å; F34-I49 HydrophobicContact CZ-CD1 3.61Å; I45-I49 HydrophobicContact CG2-CD1 3.8Å; I45-I49 VanDerWaalsContact O-CD1 3.31Å; I45-I49 WeakPolarHBondContact O-CD1 3.28Å; I45-I49 VanDerWaalsContact O-CG1 3.24Å; I45-I49 WeakPolarHBondContact O-CG1 3.48Å; I45-I49 PolarHBondContact O-N 3.29Å; I45-I49 VanDerWaalsContact O-N 3.17Å; I49-G51 PolarHBondContact O-N 3.11Å; I49-N52 PolarHBondContact O-N 3.41Å; I49-I53 HydrophobicContact CG2-CD1 3.87Å; I49-I53 VanDerWaalsContact O-CG1 3.32Å; I49-I53 WeakPolarHBondContact O-CG1 3.08Å; I49-I53 PolarHBondContact O-N 3.03Å; I49-L97 HydrophobicContact CG2-CD1 3.75Å; I49-C100 HydrophobicContact CD1-CB 4.42Å; I49-C100 WeakPolarHBondContact CD1-SG 3.4Å; I49-C100 HydrophobicContact CG1-CB 4.23Å
50C96.3Very high93.5Very high48 Ų4854.1 Ų54.132%0.32433%0.325SS..Hα-helixtrans-59-39.5174.9-75.20000111.5P31 K46 S47 D48 T54P31-C50 VanDerWaalsContact CB-SG 3.57Å; K46-C50 WeakPolarHBondContact O-CB 3.48Å; K46-C50 PolarHBondContact O-N 2.84Å; K46-C50 PolarHBondContact O-SG 3.32Å; S47-C50 PolarHBondContact O-N 3.11Å; D48-C50 PolarHBondContact O-N 3.35Å; C50-T54 VanDerWaalsContact O-CB 3.3Å; C50-T54 WeakPolarHBondContact O-CB 3.31Å; C50-T54 PolarHBondContact O-N 2.94Å; C50-T54 PolarHBondContact O-OG1 3.23Å
51G97.4Very high94.3Very high27 Ų2753.9 Ų53.928%0.27831%0.312SS..Hα-helixtrans-60.5-49.1174.300000112.1S47 D48 I49 I53 T54 K55S47-G51 PolarHBondContact O-N 2.92Å; D48-G51 CarbonylContact O-C 3.54Å; D48-G51 WeakPolarHBondContact O-CA 3.12Å; D48-G51 PolarHBondContact O-N 3.01Å; I49-G51 PolarHBondContact O-N 3.11Å; G51-I53 PolarHBondContact O-N 3.33Å; G51-T54 PolarHBondContact O-N 3.42Å; G51-K55 WeakPolarHBondContact O-CG 3.49Å; G51-K55 PolarHBondContact O-N 2.94Å
52N97.9Very high95Very high5 Ų554.8 Ų54.83%0.02732%0.322CS..Hα-helixtrans-58.1-50.6177-57116.7000111D48 I49 T54 K55 I56 E93 L97D48-N52 PolarHBondContact O-N 3.17Å; D48-N52 PolarHBondContact O-OD1 2.63Å; I49-N52 PolarHBondContact O-N 3.41Å; N52-T54 VanDerWaalsContact C-N 3.31Å; N52-T54 PolarHBondContact O-N 3.16Å; N52-K55 PolarHBondContact O-N 3.08Å; N52-I56 WeakPolarHBondContact O-CD1 3.44Å; N52-I56 VanDerWaalsContact O-CG1 3.23Å; N52-I56 WeakPolarHBondContact O-CG1 3.31Å; N52-I56 PolarHBondContact O-N 3.16Å; N52-E93 WeakPolarHBondContact CA-OE2 3.37Å; N52-E93 HydrophobicContact CB-CB 4.25Å; N52-E93 PolarHBondContact ND2-OE2 2.84Å; N52-L97 HydrophobicContact CB-CB 4.21Å
53I98.3Very high95.7Very high14 Ų1457.8 Ų57.87%0.07234%0.338CS..Hα-helixtrans-58.9-44.9-179.6-66.2167.4000110.6L24 V27 P31 I49 G51 K55 I56 K57 L97L24-I53 HydrophobicContact CD2-CG2 4.33Å; V27-I53 HydrophobicContact CB-CD1 4.27Å; V27-I53 HydrophobicContact CG2-CD1 4Å; V27-I53 HydrophobicContact CG2-CG1 3.98Å; V27-I53 HydrophobicContact CG2-CG2 4.48Å; V27-I53 WeakPolarHBondContact O-CD1 3.45Å; P31-I53 HydrophobicContact CG-CD1 4.02Å; I49-I53 HydrophobicContact CG2-CD1 3.87Å; I49-I53 VanDerWaalsContact O-CG1 3.32Å; I49-I53 WeakPolarHBondContact O-CG1 3.08Å; I49-I53 PolarHBondContact O-N 3.03Å; G51-I53 PolarHBondContact O-N 3.33Å; I53-K55 PolarHBondContact O-N 2.85Å; I53-I56 PolarHBondContact O-N 3.26Å; I53-K57 VanDerWaalsContact O-CB 3.27Å; I53-K57 WeakPolarHBondContact O-CB 3.47Å; I53-K57 PolarHBondContact O-N 3.39Å; I53-L97 HydrophobicContact CD1-CD1 4.37Å; I53-L97 HydrophobicContact CG1-CD1 4.06Å; I53-L97 HydrophobicContact CG1-CD2 3.9Å
54T98.3Very high96.2Very high92 Ų9258.5 Ų58.556%0.56434%0.339SS*.Hα-helixtrans-60.7-44.6179.7-60.60000111.4C50 G51 N52 K57 A58C50-T54 VanDerWaalsContact O-CB 3.3Å; C50-T54 WeakPolarHBondContact O-CB 3.31Å; C50-T54 PolarHBondContact O-N 2.94Å; C50-T54 PolarHBondContact O-OG1 3.23Å; G51-T54 PolarHBondContact O-N 3.42Å; N52-T54 VanDerWaalsContact C-N 3.31Å; N52-T54 PolarHBondContact O-N 3.16Å; T54-K57 PolarHBondContact O-N 3.29Å; T54-A58 WeakPolarHBondContact O-CB 3.43Å; T54-A58 PolarHBondContact O-N 2.69Å
55K98.4Very high96.7Very high111 Ų11156.6 Ų56.648%0.48334%0.337SS..Hα-helixtrans-69.3-40.8179.6-69.6173.8-175.3-179.30112.6G51 N52 I53 K57 A58 V59 E93G51-K55 WeakPolarHBondContact O-CG 3.49Å; G51-K55 PolarHBondContact O-N 2.94Å; N52-K55 PolarHBondContact O-N 3.08Å; I53-K55 PolarHBondContact O-N 2.85Å; K55-K57 VanDerWaalsContact C-N 3.31Å; K55-K57 PolarHBondContact O-N 2.95Å; K55-A58 PolarHBondContact O-N 3.5Å; K55-V59 PolarHBondContact O-N 3.11Å; K55-V59 VanDerWaalsContact O-N 3.15Å; K55-E93 HydrophobicContact CB-CB 4.5Å; K55-E93 HydrophobicContact CB-CG 3.8Å; K55-E93 HydrophobicContact CD-CG 3.76Å; K55-E93 WeakPolarHBondContact CD-OE1 3.36Å; K55-E93 WeakPolarHBondContact CE-OE1 3.45Å; K55-E93 HydrophobicContact CG-CG 4.5Å; K55-E93 IonicContact NZ-OE1 3.07Å; K55-E93 PolarHBondContact NZ-OE1 3.22Å; K55-E93 IonicContact NZ-OE2 3.95Å
56I98.7Very high97.1Very high0 Ų058.2 Ų58.20%034%0.338CS..Hα-helixtrans-61.7-44.1174.3-60159.2000110.1L24 N52 I53 A58 V59 Y60 L73 A90 E93 L94 L97L24-I56 HydrophobicContact CD1-CG2 4.34Å; L24-I56 HydrophobicContact CD2-CB 4.07Å; L24-I56 HydrophobicContact CD2-CG2 3.79Å; L24-I56 HydrophobicContact CG-CG2 4.49Å; N52-I56 WeakPolarHBondContact O-CD1 3.44Å; N52-I56 VanDerWaalsContact O-CG1 3.23Å; N52-I56 WeakPolarHBondContact O-CG1 3.31Å; N52-I56 PolarHBondContact O-N 3.16Å; I53-I56 PolarHBondContact O-N 3.26Å; I56-A58 PolarHBondContact O-N 3.13Å; I56-V59 PolarHBondContact O-N 3.04Å; I56-Y60 PolarHBondContact O-N 3.4Å; I56-L73 HydrophobicContact CG2-CD1 4.19Å; I56-A90 HydrophobicContact CB-CB 4.27Å; I56-A90 HydrophobicContact CG1-CB 4.13Å; I56-A90 HydrophobicContact CG2-CB 4.24Å; I56-E93 HydrophobicContact CD1-CB 4.18Å; I56-E93 HydrophobicContact CG1-CB 3.72Å; I56-L94 HydrophobicContact CD1-CB 3.94Å; I56-L94 HydrophobicContact CD1-CD1 4.2Å; I56-L94 HydrophobicContact CG1-CB 4.45Å; I56-L97 HydrophobicContact CD1-CB 4.46Å; I56-L97 HydrophobicContact CD1-CD2 3.69Å
57K98.5Very high97.5Very high90 Ų9056 Ų5639%0.39133%0.328SS..Hα-helixtrans-61.8-42.2176.5179.8165.8174.244.70112.1L24 I53 T54 K55 V59 Y60 D61L24-K57 HydrophobicContact CD1-CB 4.07Å; I53-K57 VanDerWaalsContact O-CB 3.27Å; I53-K57 WeakPolarHBondContact O-CB 3.47Å; I53-K57 PolarHBondContact O-N 3.39Å; T54-K57 PolarHBondContact O-N 3.29Å; K55-K57 VanDerWaalsContact C-N 3.31Å; K55-K57 PolarHBondContact O-N 2.95Å; K57-V59 VanDerWaalsContact C-N 3.32Å; K57-V59 PolarHBondContact O-N 2.89Å; K57-Y60 PolarHBondContact O-N 2.91Å; K57-D61 WeakPolarHBondContact CE-OD2 3.3Å; K57-D61 WeakPolarHBondContact CG-OD2 3.29Å; K57-D61 VanDerWaalsContact NZ-CG 3.29Å; K57-D61 IonicContact NZ-OD1 3.17Å; K57-D61 PolarHBondContact NZ-OD1 3.23Å; K57-D61 IonicContact NZ-OD2 2.82Å; K57-D61 PolarHBondContact NZ-OD2 3.09Å; K57-D61 WeakPolarHBondContact O-CB 3.49Å; K57-D61 VanDerWaalsContact O-CG 3.27Å; K57-D61 PolarHBondContact O-N 3.42Å
58A98.4Very high97.7Very high58 Ų5857.9 Ų57.948%0.47933%0.326SS..Hα-helixtrans-58.8-43.3177.300000111.6T54 K55 I56 T62T54-A58 WeakPolarHBondContact O-CB 3.43Å; T54-A58 PolarHBondContact O-N 2.69Å; K55-A58 PolarHBondContact O-N 3.5Å; I56-A58 PolarHBondContact O-N 3.13Å; A58-T62 WeakPolarHBondContact O-CG2 3.34Å
59V98.4Very high98Very high33 Ų3353.6 Ų53.620%0.230%0.303CS..Hα-helixtrans-63.4-49.4174.1174.70000110.9K55 I56 K57 D61 T62 Y67 L73 A90K55-V59 PolarHBondContact O-N 3.11Å; K55-V59 VanDerWaalsContact O-N 3.15Å; I56-V59 PolarHBondContact O-N 3.04Å; K57-V59 VanDerWaalsContact C-N 3.32Å; K57-V59 PolarHBondContact O-N 2.89Å; V59-D61 VanDerWaalsContact C-N 3.32Å; V59-D61 PolarHBondContact O-N 3.28Å; V59-T62 PolarHBondContact O-N 3.35Å; V59-T62 VanDerWaalsContact O-N 3.16Å; V59-T62 PolarHBondContact O-OG1 3.46Å; V59-Y67 HydrophobicContact CG1-CD2 4.46Å; V59-Y67 HydrophobicContact CG1-CE1 4.35Å; V59-Y67 HydrophobicContact CG1-CE2 4.17Å; V59-Y67 WeakPolarHBondContact O-CD2 3.44Å; V59-Y67 WeakPolarHBondContact O-CE2 3.2Å; V59-L73 HydrophobicContact CG1-CD1 4.47Å; V59-A90 HydrophobicContact CB-CB 3.85Å; V59-A90 HydrophobicContact CG1-CB 4.13Å; V59-A90 HydrophobicContact CG2-CB 3.77Å
60Y98.6Very high98.2Very high23 Ų2353.4 Ų53.49%0.0930%0.302CS..Hα-helixtrans-54.9-45.8178.6171.5-101.5000112.7T20 R21 L24 I56 K57 T62 N63 P64 Y67T20-Y60 HydrophobicContact CG2-CD2 3.45Å; T20-Y60 VanDerWaalsContact CG2-CD2 3.45Å; T20-Y60 HydrophobicContact CG2-CE2 4.14Å; T20-Y60 HydrophobicContact CG2-CG 3.87Å; R21-Y60 HydrophobicContact CB-CE1 3.95Å; R21-Y60 HydrophobicContact CB-CE2 4.4Å; R21-Y60 WeakPolarHBondContact CB-OH 3.46Å; L24-Y60 HydrophobicContact CD1-CD1 4.43Å; L24-Y60 HydrophobicContact CD1-CG 4.31Å; I56-Y60 PolarHBondContact O-N 3.4Å; K57-Y60 PolarHBondContact O-N 2.91Å; Y60-T62 PolarHBondContact O-N 3.07Å; Y60-N63 CarbonylContact O-C 3.53Å; Y60-N63 VanDerWaalsContact O-C 3.29Å; Y60-N63 PolarHBondContact O-N 3.07Å; Y60-P64 HydrophobicContact CE1-CB 4.19Å; Y60-P64 HydrophobicContact CE1-CG 4.25Å; Y60-P64 HydrophobicContact CE2-CB 3.99Å; Y60-P64 WeakPolarHBondContact O-CD 3.23Å; Y60-P64 VanDerWaalsContact O-N 3.16Å; Y60-Y67 WeakPolarHBondContact CD2-O 3.43Å; Y60-Y67 WeakPolarHBondContact CE2-O 3.49Å
61D98.5Very high98.3Very high82 Ų8253.6 Ų53.644%0.43930%0.298SS..Hα-helixtrans-67.2-18.3-175.9-71.4-20.6000112.7K57 V59K57-D61 WeakPolarHBondContact CE-OD2 3.3Å; K57-D61 WeakPolarHBondContact CG-OD2 3.29Å; K57-D61 VanDerWaalsContact NZ-CG 3.29Å; K57-D61 IonicContact NZ-OD1 3.17Å; K57-D61 PolarHBondContact NZ-OD1 3.23Å; K57-D61 IonicContact NZ-OD2 2.82Å; K57-D61 PolarHBondContact NZ-OD2 3.09Å; K57-D61 WeakPolarHBondContact O-CB 3.49Å; K57-D61 VanDerWaalsContact O-CG 3.27Å; K57-D61 PolarHBondContact O-N 3.42Å; V59-D61 VanDerWaalsContact C-N 3.32Å; V59-D61 PolarHBondContact O-N 3.28Å
62T98.4Very high98.4Very high104 Ų10455.4 Ų55.464%0.63830%0.301SS*.Hα-helixtrans-68.7-32.9174.868.40000113.1A58 V59 Y60 Y67A58-T62 WeakPolarHBondContact O-CG2 3.34Å; V59-T62 PolarHBondContact O-N 3.35Å; V59-T62 VanDerWaalsContact O-N 3.16Å; V59-T62 PolarHBondContact O-OG1 3.46Å; Y60-T62 PolarHBondContact O-N 3.07Å; T62-Y67 WeakPolarHBondContact OG1-CE2 3.5Å
63N98.2Very high98.4Very high78 Ų7855.2 Ų55.242%0.41730%0.299SS..  trans-158.882.3174.9-168.2-28.7000111.3Y60 G65 R66 Y67Y60-N63 CarbonylContact O-C 3.53Å; Y60-N63 VanDerWaalsContact O-C 3.29Å; Y60-N63 PolarHBondContact O-N 3.07Å; N63-G65 PolarHBondContact O-N 3.49Å; N63-G65 PolarHBondContact OD1-N 2.97Å; N63-R66 HydrophobicContact CB-CB 3.9Å; N63-R66 VanDerWaalsContact CG-CB 3.47Å; N63-R66 PolarHBondContact O-N 2.78Å; N63-R66 PolarHBondContact OD1-N 3.35Å; N63-Y67 HydrophobicContact CB-CD2 4.13Å; N63-Y67 HydrophobicContact CB-CE2 3.95Å; N63-Y67 WeakPolarHBondContact O-CD2 3.35Å; N63-Y67 PolarHBondContact O-N 2.94Å
64P98.2Very high98.4Very high60 Ų6054.5 Ų54.539%0.3930%0.296SS..THydrogen-bonded Turntrans-55-27.9-178.9-32.839.3000115Y60 Y67 K68Y60-P64 HydrophobicContact CE1-CB 4.19Å; Y60-P64 HydrophobicContact CE1-CG 4.25Å; Y60-P64 HydrophobicContact CE2-CB 3.99Å; Y60-P64 WeakPolarHBondContact O-CD 3.23Å; Y60-P64 VanDerWaalsContact O-N 3.16Å; P64-Y67 CarbonylContact O-C 3.5Å; P64-K68 WeakPolarHBondContact O-CA 3.24Å; P64-K68 PolarHBondContact O-N 3.12Å
65G98.1Very high98.5Very high53 Ų5354.2 Ų54.255%0.54629%0.288SS..THydrogen-bonded Turntrans-72.9-44.8176.800000112.6N63 Y67N63-G65 PolarHBondContact O-N 3.49Å; N63-G65 PolarHBondContact OD1-N 2.97Å; G65-Y67 VanDerWaalsContact C-N 3.28Å; G65-Y67 PolarHBondContact O-N 3.05Å
66R97.9Very high98.5Very high103 Ų10349.1 Ų49.139%0.38927%0.267SS..THydrogen-bonded Turntrans-66.4-31.6175.4-173.8174.3-174.9169.62.4112.1N63 M72 A76 E79N63-R66 HydrophobicContact CB-CB 3.9Å; N63-R66 VanDerWaalsContact CG-CB 3.47Å; N63-R66 PolarHBondContact O-N 2.78Å; N63-R66 PolarHBondContact OD1-N 3.35Å; R66-M72 WeakPolarHBondContact O-CB 3.31Å; R66-A76 HydrophobicContact CG-CB 4.24Å; R66-E79 IonicContact NH2-OE2 3.7Å
67Y98.5Very high98.4Very high10 Ų1049.3 Ų49.34%0.03927%0.268CS..THydrogen-bonded Turntrans-107.531.7-176.2-53.5-55000112.9T20 V59 Y60 T62 N63 P64 G65 T69 L73 A76T20-Y67 VanDerWaalsContact CB-O 3.23Å; T20-Y67 WeakPolarHBondContact CB-O 3.22Å; T20-Y67 PolarHBondContact OG1-O 2.87Å; V59-Y67 HydrophobicContact CG1-CD2 4.46Å; V59-Y67 HydrophobicContact CG1-CE1 4.35Å; V59-Y67 HydrophobicContact CG1-CE2 4.17Å; V59-Y67 WeakPolarHBondContact O-CD2 3.44Å; V59-Y67 WeakPolarHBondContact O-CE2 3.2Å; Y60-Y67 WeakPolarHBondContact CD2-O 3.43Å; Y60-Y67 WeakPolarHBondContact CE2-O 3.49Å; T62-Y67 WeakPolarHBondContact OG1-CE2 3.5Å; N63-Y67 HydrophobicContact CB-CD2 4.13Å; N63-Y67 HydrophobicContact CB-CE2 3.95Å; N63-Y67 WeakPolarHBondContact O-CD2 3.35Å; N63-Y67 PolarHBondContact O-N 2.94Å; P64-Y67 CarbonylContact O-C 3.5Å; G65-Y67 VanDerWaalsContact C-N 3.28Å; G65-Y67 PolarHBondContact O-N 3.05Å; Y67-T69 VanDerWaalsContact C-N 3.3Å; Y67-T69 PolarHBondContact O-N 3.07Å; Y67-L73 HydrophobicContact CD1-CB 4.21Å; Y67-L73 HydrophobicContact CD1-CG 4.16Å; Y67-A76 HydrophobicContact CD1-CB 4.22Å; Y67-A76 HydrophobicContact CE1-CB 3.63Å
68K98.4Very high98.4Very high122 Ų12249.8 Ų49.853%0.5327%0.27SS..SBendtrans-56.9-41-173.7-176-178.4177.8-174.50113E19 T20 P64 M72E19-K68 WeakPolarHBondContact CA-O 3.36Å; T20-K68 PolarHBondContact N-O 2.7Å; T20-K68 PolarHBondContact OG1-O 2.72Å; P64-K68 WeakPolarHBondContact O-CA 3.24Å; P64-K68 PolarHBondContact O-N 3.12Å; K68-M72 HydrophobicContact CB-CE 4.49Å; K68-M72 HydrophobicContact CB-SD 3.91Å
69T98.7Very high98.4Very high8 Ų854 Ų545%0.04928%0.28CS..BIsolated β-bridgetrans-120.2157.7175.870.10000110.8Q17 V18 T20 Y67 Q71 M72 L73Q17-T69 HydrophobicContact CB-CG2 4.26Å; Q17-T69 PolarHBondContact OE1-OG1 3.32Å; V18-T69 CarbonylContact O-C 3.59Å; V18-T69 WeakPolarHBondContact O-CA 3.28Å; V18-T69 VanDerWaalsContact O-CB 3.31Å; V18-T69 WeakPolarHBondContact O-CB 3.34Å; T20-T69 WeakPolarHBondContact OG1-CA 3.34Å; T20-T69 PolarHBondContact OG1-O 2.89Å; Y67-T69 VanDerWaalsContact C-N 3.3Å; Y67-T69 PolarHBondContact O-N 3.07Å; T69-Q71 PolarHBondContact O-N 3.1Å; T69-M72 PolarHBondContact O-N 3.38Å; T69-M72 VanDerWaalsContact O-N 3.15Å; T69-M72 WeakPolarHBondContact OG1-CG 3.45Å; T69-M72 PolarHBondContact OG1-N 2.92Å; T69-L73 PolarHBondContact O-N 2.93Å
70L98.8Very high98.4Very high1 Ų157.3 Ų57.31%0.00529%0.294CS..Hα-helixtrans-60.7-31.8177.8-61.3-179.7000111.7V18 T20 F23 L73 L74 L94 V194 M197V18-L70 HydrophobicContact CB-CD1 3.87Å; V18-L70 HydrophobicContact CB-CG 4.13Å; V18-L70 HydrophobicContact CG1-CD1 3.58Å; V18-L70 HydrophobicContact CG1-CG 4.05Å; V18-L70 PolarHBondContact O-N 3.19Å; T20-L70 HydrophobicContact CG2-CD2 3.9Å; T20-L70 PolarHBondContact OG1-N 3.2Å; F23-L70 HydrophobicContact CD1-CD1 3.9Å; F23-L70 HydrophobicContact CD1-CD2 4.03Å; F23-L70 HydrophobicContact CD1-CG 4.48Å; F23-L70 HydrophobicContact CD2-CD1 4.14Å; F23-L70 HydrophobicContact CE1-CD1 4.06Å; F23-L70 HydrophobicContact CE1-CD2 4.43Å; F23-L70 HydrophobicContact CE2-CD1 4.28Å; F23-L70 HydrophobicContact CG-CD1 3.93Å; F23-L70 HydrophobicContact CZ-CD1 4.24Å; L70-L73 WeakPolarHBondContact O-CB 3.43Å; L70-L73 PolarHBondContact O-N 3.39Å; L70-L74 VanDerWaalsContact O-CD1 3.32Å; L70-L74 WeakPolarHBondContact O-CD1 3.47Å; L70-L74 PolarHBondContact O-N 3.12Å; L70-L94 HydrophobicContact CB-CD2 4.28Å; L70-L94 HydrophobicContact CD1-CD2 4.11Å; L70-L94 HydrophobicContact CD2-CD2 4.13Å; L70-L94 HydrophobicContact CG-CD2 4.41Å; L70-V194 HydrophobicContact CD1-CG2 3.75Å; L70-M197 HydrophobicContact CB-CE 3.92Å; L70-M197 HydrophobicContact CB-SD 4.02Å
71Q98.4Very high98.3Very high51 Ų5158.9 Ų58.924%0.23830%0.302CS..Hα-helixtrans-61.1-52.5173.6-17968.340.100110.8T69 L73 L74 E75 M197 M201T69-Q71 PolarHBondContact O-N 3.1Å; Q71-L73 PolarHBondContact O-N 2.92Å; Q71-L74 PolarHBondContact O-N 3.27Å; Q71-L74 VanDerWaalsContact O-N 3.17Å; Q71-E75 WeakPolarHBondContact CG-OE1 3.35Å; Q71-E75 PolarHBondContact NE2-OE1 3.17Å; Q71-E75 WeakPolarHBondContact O-CG 3.25Å; Q71-E75 PolarHBondContact O-N 3.14Å; Q71-M197 VanDerWaalsContact CA-SD 3.6Å; Q71-M197 HydrophobicContact CB-SD 4.15Å; Q71-M197 PolarHBondContact N-SD 3.26Å; Q71-M197 VanDerWaalsContact OE1-CG 3.25Å; Q71-M201 PolarHBondContact NE2-SD 3.5Å
72M98.6Very high98.3Very high66 Ų6657.2 Ų57.233%0.32530%0.304SS..Hα-helixtrans-60.9-32.9177.4-66.7174.271.700111.9R66 K68 T69 A76R66-M72 WeakPolarHBondContact O-CB 3.31Å; K68-M72 HydrophobicContact CB-CE 4.49Å; K68-M72 HydrophobicContact CB-SD 3.91Å; T69-M72 PolarHBondContact O-N 3.38Å; T69-M72 VanDerWaalsContact O-N 3.15Å; T69-M72 WeakPolarHBondContact OG1-CG 3.45Å; T69-M72 PolarHBondContact OG1-N 2.92Å; M72-A76 WeakPolarHBondContact O-CB 3.49Å; M72-A76 PolarHBondContact O-N 3Å
73L98.7Very high98.2Very high0 Ų056.3 Ų56.30%032%0.315CS..Hα-helixtrans-60.8-53.1173.5-171.2154.5000111.8T20 I56 V59 Y67 T69 L70 Q71 E75 A76 E77 A90T20-L73 HydrophobicContact CG2-CD1 4.33Å; I56-L73 HydrophobicContact CG2-CD1 4.19Å; V59-L73 HydrophobicContact CG1-CD1 4.47Å; Y67-L73 HydrophobicContact CD1-CB 4.21Å; Y67-L73 HydrophobicContact CD1-CG 4.16Å; T69-L73 PolarHBondContact O-N 2.93Å; L70-L73 WeakPolarHBondContact O-CB 3.43Å; L70-L73 PolarHBondContact O-N 3.39Å; Q71-L73 PolarHBondContact O-N 2.92Å; L73-E75 VanDerWaalsContact C-N 3.33Å; L73-E75 PolarHBondContact O-N 3Å; L73-A76 PolarHBondContact O-N 3.4Å; L73-E77 HydrophobicContact CD2-CG 4.46Å; L73-E77 PolarHBondContact O-N 3.46Å; L73-A90 HydrophobicContact CD1-CB 4.12Å; L73-A90 HydrophobicContact CD2-CB 3.59Å; L73-A90 HydrophobicContact CG-CB 4.38Å
74L98.6Very high98.1Very high0 Ų058.3 Ų58.30%033%0.326CS..Hα-helixtrans-65-38.4-179.5-9166.9000111.7L70 Q71 E77 K78 T91 L94 M197 F198 M201 A203L70-L74 VanDerWaalsContact O-CD1 3.32Å; L70-L74 WeakPolarHBondContact O-CD1 3.47Å; L70-L74 PolarHBondContact O-N 3.12Å; Q71-L74 PolarHBondContact O-N 3.27Å; Q71-L74 VanDerWaalsContact O-N 3.17Å; L74-E77 PolarHBondContact O-N 3.25Å; L74-K78 VanDerWaalsContact O-CB 3.3Å; L74-K78 WeakPolarHBondContact O-CB 3.34Å; L74-K78 PolarHBondContact O-N 3.39Å; L74-T91 HydrophobicContact CD2-CG2 4.34Å; L74-T91 HydrophobicContact CG-CG2 3.99Å; L74-L94 HydrophobicContact CD1-CD2 3.89Å; L74-M197 HydrophobicContact CD1-CE 4.04Å; L74-M197 HydrophobicContact CD2-CE 3.91Å; L74-M197 HydrophobicContact CD2-CG 4.27Å; L74-M197 HydrophobicContact CD2-SD 4.32Å; L74-F198 HydrophobicContact CD1-CE2 4.45Å; L74-F198 HydrophobicContact CD2-CD2 4.15Å; L74-F198 HydrophobicContact CD2-CE1 4.38Å; L74-F198 HydrophobicContact CD2-CE2 3.9Å; L74-F198 HydrophobicContact CD2-CZ 4.02Å; L74-M201 HydrophobicContact CB-CE 3.55Å; L74-M201 HydrophobicContact CB-SD 3.55Å; L74-M201 VanDerWaalsContact CB-SD 3.55Å; L74-M201 HydrophobicContact CD2-SD 3.67Å; L74-M201 HydrophobicContact CG-SD 4.27Å; L74-A203 HydrophobicContact CD2-CB 4.03Å
75E98.6Very high98.1Very high85 Ų8556.8 Ų56.840%0.39731%0.313SS..Hα-helixtrans-63.2-48.2178.2-73.4170.1172.600111.2Q71 L73 E77 K78 E79 M201Q71-E75 WeakPolarHBondContact CG-OE1 3.35Å; Q71-E75 PolarHBondContact NE2-OE1 3.17Å; Q71-E75 WeakPolarHBondContact O-CG 3.25Å; Q71-E75 PolarHBondContact O-N 3.14Å; L73-E75 VanDerWaalsContact C-N 3.33Å; L73-E75 PolarHBondContact O-N 3Å; E75-E77 PolarHBondContact O-N 3.17Å; E75-K78 WeakPolarHBondContact O-CB 3.4Å; E75-K78 PolarHBondContact O-N 3.32Å; E75-E79 WeakPolarHBondContact O-CG 3.19Å; E75-E79 PolarHBondContact O-N 3.01Å; E75-M201 HydrophobicContact CB-CE 4.43Å; E75-M201 HydrophobicContact CG-CE 3.61Å
76A98.4Very high98.1Very high5 Ų554.9 Ų54.94%0.04129%0.291CS..Hα-helixtrans-64.7-38.2178.700000112.8R66 Y67 M72 L73 M80R66-A76 HydrophobicContact CG-CB 4.24Å; Y67-A76 HydrophobicContact CD1-CB 4.22Å; Y67-A76 HydrophobicContact CE1-CB 3.63Å; M72-A76 WeakPolarHBondContact O-CB 3.49Å; M72-A76 PolarHBondContact O-N 3Å; L73-A76 PolarHBondContact O-N 3.4Å; A76-M80 VanDerWaalsContact O-CB 3.32Å; A76-M80 WeakPolarHBondContact O-CB 3.3Å; A76-M80 PolarHBondContact O-N 2.99Å
77E98.3Very high98.1Very high4 Ų455.5 Ų55.52%0.01930%0.296CS..Hα-helixtrans-70.5-34.9175.3-77.1-164.114700112.7L73 L74 E75 E79 M80 H81 G89 A90 T91L73-E77 HydrophobicContact CD2-CG 4.46Å; L73-E77 PolarHBondContact O-N 3.46Å; L74-E77 PolarHBondContact O-N 3.25Å; E75-E77 PolarHBondContact O-N 3.17Å; E77-E79 VanDerWaalsContact C-N 3.34Å; E77-M80 PolarHBondContact O-N 3.22Å; E77-H81 WeakPolarHBondContact O-CB 3.42Å; E77-H81 PolarHBondContact O-CD2 3.45Å; E77-H81 VanDerWaalsContact O-CD2 3.25Å; E77-H81 PolarHBondContact O-N 3.38Å; E77-G89 WeakPolarHBondContact OE1-CA 3.42Å; E77-A90 PolarHBondContact OE1-N 3.5Å; E77-A90 PolarHBondContact OE2-N 3.46Å; E77-T91 WeakPolarHBondContact OE2-CA 3.34Å; E77-T91 VanDerWaalsContact OE2-CB 3.28Å; E77-T91 WeakPolarHBondContact OE2-CB 3.27Å; E77-T91 PolarHBondContact OE2-N 2.8Å; E77-T91 PolarHBondContact OE2-OG1 2.82Å
78K98.4Very high98Very high99 Ų9956.6 Ų56.643%0.4330%0.304SS..Hα-helixtrans-61.1-44.5173.8-175175.7-178.2175.40111.6L74 E75 G82 W85L74-K78 VanDerWaalsContact O-CB 3.3Å; L74-K78 WeakPolarHBondContact O-CB 3.34Å; L74-K78 PolarHBondContact O-N 3.39Å; E75-K78 WeakPolarHBondContact O-CB 3.4Å; E75-K78 PolarHBondContact O-N 3.32Å; K78-G82 PolarHBondContact O-N 3.39Å; K78-W85 VanDerWaalsContact CA-CD1 3.47Å; K78-W85 HydrophobicContact CB-CD2 3.79Å; K78-W85 HydrophobicContact CB-CE3 4.41Å; K78-W85 HydrophobicContact CB-CG 3.89Å; K78-W85 HydrophobicContact CB-CZ2 4.37Å; K78-W85 HydrophobicContact CD-CD2 4.18Å; K78-W85 HydrophobicContact CD-CE3 3.99Å; K78-W85 HydrophobicContact CD-CH2 4.12Å; K78-W85 HydrophobicContact CD-CZ2 4.29Å; K78-W85 HydrophobicContact CD-CZ3 3.98Å; K78-W85 HydrophobicContact CG-CD2 3.74Å; K78-W85 HydrophobicContact CG-CE3 3.87Å; K78-W85 HydrophobicContact CG-CG 4.08Å; K78-W85 HydrophobicContact CG-CZ3 4.38Å
79E97.9Very high97.9Very high147 Ų14752.2 Ų52.269%0.68729%0.293SS*.Hα-helixtrans-63.9-41.9174.5-69.8173.6176.800112.2R66 E75 E77R66-E79 IonicContact NH2-OE2 3.7Å; E75-E79 WeakPolarHBondContact O-CG 3.19Å; E75-E79 PolarHBondContact O-N 3.01Å; E77-E79 VanDerWaalsContact C-N 3.34Å
80M97.9Very high97.9Very high103 Ų10351.8 Ų51.851%0.50729%0.291SS..Hα-helixtrans-70.1-40.1-176-175.1-178.9-6000113.1A76 E77A76-M80 VanDerWaalsContact O-CB 3.32Å; A76-M80 WeakPolarHBondContact O-CB 3.3Å; A76-M80 PolarHBondContact O-N 2.99Å; E77-M80 PolarHBondContact O-N 3.22Å
81H97.8Very high97.9Very high56 Ų5651.8 Ų51.826%0.25929%0.29SS..Hα-helixtrans-103.9-9.8-170.7-63.6-65.3000114.2E77 G83 D84 W85 V88E77-H81 WeakPolarHBondContact O-CB 3.42Å; E77-H81 PolarHBondContact O-CD2 3.45Å; E77-H81 VanDerWaalsContact O-CD2 3.25Å; E77-H81 PolarHBondContact O-N 3.38Å; H81-G83 PolarHBondContact O-N 2.7Å; H81-D84 HydrophobicContact CB-CB 4.43Å; H81-D84 PolarHBondContact O-N 2.91Å; H81-D84 VanDerWaalsContact O-N 3.08Å; H81-W85 HydrophobicContact CB-CB 4.37Å; H81-V88 HydrophobicContact CB-CG1 3.6Å
82G96.8Very high97.9Very high47 Ų4750.8 Ų50.849%0.48529%0.287SS..G310 helixtrans52-115.8174.200000112.7K78 D84 W85K78-G82 PolarHBondContact O-N 3.39Å; G82-D84 VanDerWaalsContact C-N 3.28Å; G82-D84 PolarHBondContact O-N 3.23Å; G82-W85 WeakPolarHBondContact O-CB 3.46Å; G82-W85 PolarHBondContact O-N 3.36Å
83G96.4Very high97.9Very high84 Ų8448.8 Ų48.887%0.86628%0.277SS*.G310 helixtrans-67.3-19.3-176.400000115.7H81H81-G83 PolarHBondContact O-N 2.7Å
84D97.4Very high97.9Very high121 Ų12148.8 Ų48.865%0.64728%0.277SS*.G310 helixtrans-82-18.4178.9-64.5-34.1000112.4H81 G82 K87 V88H81-D84 HydrophobicContact CB-CB 4.43Å; H81-D84 PolarHBondContact O-N 2.91Å; H81-D84 VanDerWaalsContact O-N 3.08Å; G82-D84 VanDerWaalsContact C-N 3.28Å; G82-D84 PolarHBondContact O-N 3.23Å; D84-K87 PolarHBondContact O-N 3.4Å; D84-V88 HydrophobicContact CB-CG1 4.4Å
85W98.3Very high97.9Very high28 Ų2848.9 Ų48.911%0.10628%0.277CS..THydrogen-bonded Turntrans-71.2138.6175.4-172.392.9000110.9K78 H81 G82 V88 T91 M201 A203K78-W85 VanDerWaalsContact CA-CD1 3.47Å; K78-W85 HydrophobicContact CB-CD2 3.79Å; K78-W85 HydrophobicContact CB-CE3 4.41Å; K78-W85 HydrophobicContact CB-CG 3.89Å; K78-W85 HydrophobicContact CB-CZ2 4.37Å; K78-W85 HydrophobicContact CD-CD2 4.18Å; K78-W85 HydrophobicContact CD-CE3 3.99Å; K78-W85 HydrophobicContact CD-CH2 4.12Å; K78-W85 HydrophobicContact CD-CZ2 4.29Å; K78-W85 HydrophobicContact CD-CZ3 3.98Å; K78-W85 HydrophobicContact CG-CD2 3.74Å; K78-W85 HydrophobicContact CG-CE3 3.87Å; K78-W85 HydrophobicContact CG-CG 4.08Å; K78-W85 HydrophobicContact CG-CZ3 4.38Å; H81-W85 HydrophobicContact CB-CB 4.37Å; G82-W85 WeakPolarHBondContact O-CB 3.46Å; G82-W85 PolarHBondContact O-N 3.36Å; W85-V88 HydrophobicContact CB-CG1 4.46Å; W85-T91 HydrophobicContact CZ2-CG2 4.23Å; W85-T91 PolarHBondContact NE1-OG1 2.95Å; W85-M201 HydrophobicContact CH2-CB 4.15Å; W85-M201 VanDerWaalsContact CH2-O 3.27Å; W85-M201 WeakPolarHBondContact CH2-O 3.37Å; W85-M201 HydrophobicContact CZ2-CE 4.41Å; W85-A203 HydrophobicContact CH2-CB 3.48Å; W85-A203 VanDerWaalsContact CH2-CB 3.48Å; W85-A203 HydrophobicContact CZ2-CB 3.52Å
86P97.7Very high97.9Very high13 Ų1346.5 Ų46.58%0.08426%0.264CS..THydrogen-bonded Turncis-96.711.210.937.6-37.2000115.4V88 T91 A203 Q205P86-V88 PolarHBondContact O-N 3.04Å; P86-V88 VanDerWaalsContact O-N 3.07Å; P86-T91 HydrophobicContact CB-CG2 3.74Å; P86-A203 HydrophobicContact CB-CB 4.2Å; P86-A203 WeakPolarHBondContact CB-O 3.4Å; P86-A203 WeakPolarHBondContact CG-O 3.47Å; P86-Q205 HydrophobicContact CG-CG 3.83Å; P86-Q205 VanDerWaalsContact CG-NE2 3.31Å
87K96.9Very high97.9Very high115 Ų11546.3 Ų46.350%0.526%0.263SS..SBendtrans-8636.5-173.7-67.8-173-177.7177.30113.6D84 Q205D84-K87 PolarHBondContact O-N 3.4Å; K87-Q205 HydrophobicContact CG-CG 4.14Å
88V97.3Very high97.9Very high34 Ų3446.1 Ų46.121%0.20626%0.262CS..SBendtrans-149.5157.4-17359.90000110.6H81 D84 W85 P86 L92H81-V88 HydrophobicContact CB-CG1 3.6Å; D84-V88 HydrophobicContact CB-CG1 4.4Å; W85-V88 HydrophobicContact CB-CG1 4.46Å; P86-V88 PolarHBondContact O-N 3.04Å; P86-V88 VanDerWaalsContact O-N 3.07Å; V88-L92 PolarHBondContact O-N 3.12Å
89G97.3Very high97.9Very high29 Ų2941.4 Ų41.430%0.29924%0.241SC..Hα-helixtrans61.6-157.616800000114.1E77 T91 L92 E93E77-G89 WeakPolarHBondContact OE1-CA 3.42Å; G89-T91 PolarHBondContact O-N 3.45Å; G89-L92 PolarHBondContact O-N 3.28Å; G89-E93 WeakPolarHBondContact O-CG 3.36Å; G89-E93 PolarHBondContact O-N 3.2Å
90A98.4Very high97.8Very high0 Ų035 Ų350%021%0.212CC..Hα-helixtrans-65.3-21.9179.300000113.2I56 V59 L73 E77 E93 L94I56-A90 HydrophobicContact CB-CB 4.27Å; I56-A90 HydrophobicContact CG1-CB 4.13Å; I56-A90 HydrophobicContact CG2-CB 4.24Å; V59-A90 HydrophobicContact CB-CB 3.85Å; V59-A90 HydrophobicContact CG1-CB 4.13Å; V59-A90 HydrophobicContact CG2-CB 3.77Å; L73-A90 HydrophobicContact CD1-CB 4.12Å; L73-A90 HydrophobicContact CD2-CB 3.59Å; L73-A90 HydrophobicContact CG-CB 4.38Å; E77-A90 PolarHBondContact OE1-N 3.5Å; E77-A90 PolarHBondContact OE2-N 3.46Å; A90-E93 PolarHBondContact O-N 3.06Å; A90-L94 WeakPolarHBondContact O-CB 3.35Å; A90-L94 PolarHBondContact O-N 3.28Å
91T98.7Very high97.8Very high0 Ų030.2 Ų30.20%019%0.189CC..Hα-helixtrans-61.1-50.2172.4-620000110L74 E77 W85 P86 G89 E93 L94 M95 F198 A203L74-T91 HydrophobicContact CD2-CG2 4.34Å; L74-T91 HydrophobicContact CG-CG2 3.99Å; E77-T91 WeakPolarHBondContact OE2-CA 3.34Å; E77-T91 VanDerWaalsContact OE2-CB 3.28Å; E77-T91 WeakPolarHBondContact OE2-CB 3.27Å; E77-T91 PolarHBondContact OE2-N 2.8Å; E77-T91 PolarHBondContact OE2-OG1 2.82Å; W85-T91 HydrophobicContact CZ2-CG2 4.23Å; W85-T91 PolarHBondContact NE1-OG1 2.95Å; P86-T91 HydrophobicContact CB-CG2 3.74Å; G89-T91 PolarHBondContact O-N 3.45Å; T91-E93 VanDerWaalsContact C-N 3.34Å; T91-E93 PolarHBondContact O-N 3.16Å; T91-L94 PolarHBondContact O-N 3.02Å; T91-M95 WeakPolarHBondContact O-CB 3.5Å; T91-M95 PolarHBondContact O-N 3.48Å; T91-F198 HydrophobicContact CG2-CE1 4.29Å; T91-F198 WeakPolarHBondContact O-CZ 3.13Å; T91-A203 HydrophobicContact CG2-CB 4.37Å
92L98.4Very high97.8Very high31 Ų3129.4 Ų29.416%0.16218%0.184CC..Hα-helixtrans-63-43.4177.5177.665.8000111.4V88 G89 M95 W96 Y207V88-L92 PolarHBondContact O-N 3.12Å; G89-L92 PolarHBondContact O-N 3.28Å; L92-M95 HydrophobicContact CD1-CE 3.65Å; L92-M95 VanDerWaalsContact O-CB 3.31Å; L92-M95 WeakPolarHBondContact O-CB 3.43Å; L92-M95 PolarHBondContact O-N 3.31Å; L92-W96 VanDerWaalsContact O-CD1 3.29Å; L92-W96 PolarHBondContact O-N 3.41Å; L92-Y207 HydrophobicContact CD1-CE1 4.41Å; L92-Y207 WeakPolarHBondContact CD1-OH 3.32Å
93E98.4Very high97.8Very high24 Ų2427.8 Ų27.811%0.11216%0.163CC..Hα-helixtrans-66.5-40.1-179.1-58.2-63.2163.700111.5N52 K55 I56 G89 A90 T91 M95 W96 L97N52-E93 WeakPolarHBondContact CA-OE2 3.37Å; N52-E93 HydrophobicContact CB-CB 4.25Å; N52-E93 PolarHBondContact ND2-OE2 2.84Å; K55-E93 HydrophobicContact CB-CB 4.5Å; K55-E93 HydrophobicContact CB-CG 3.8Å; K55-E93 HydrophobicContact CD-CG 3.76Å; K55-E93 WeakPolarHBondContact CD-OE1 3.36Å; K55-E93 WeakPolarHBondContact CE-OE1 3.45Å; K55-E93 HydrophobicContact CG-CG 4.5Å; K55-E93 IonicContact NZ-OE1 3.07Å; K55-E93 PolarHBondContact NZ-OE1 3.22Å; K55-E93 IonicContact NZ-OE2 3.95Å; I56-E93 HydrophobicContact CD1-CB 4.18Å; I56-E93 HydrophobicContact CG1-CB 3.72Å; G89-E93 WeakPolarHBondContact O-CG 3.36Å; G89-E93 PolarHBondContact O-N 3.2Å; A90-E93 PolarHBondContact O-N 3.06Å; T91-E93 VanDerWaalsContact C-N 3.34Å; T91-E93 PolarHBondContact O-N 3.16Å; E93-M95 VanDerWaalsContact C-N 3.31Å; E93-M95 PolarHBondContact O-N 3.18Å; E93-W96 PolarHBondContact O-N 3.13Å; E93-L97 WeakPolarHBondContact O-CB 3.48Å; E93-L97 PolarHBondContact O-N 3.2Å
94L98.8Very high97.8Very high0 Ų023.8 Ų23.80%012%0.122CC..Hα-helixtrans-68.6-31.1175.3-176.261.5000111.9F23 I56 L70 L74 A90 T91 W96 L97 K98 V194 M197 F198F23-L94 HydrophobicContact CE1-CD1 3.79Å; F23-L94 HydrophobicContact CZ-CD1 3.87Å; I56-L94 HydrophobicContact CD1-CB 3.94Å; I56-L94 HydrophobicContact CD1-CD1 4.2Å; I56-L94 HydrophobicContact CG1-CB 4.45Å; L70-L94 HydrophobicContact CB-CD2 4.28Å; L70-L94 HydrophobicContact CD1-CD2 4.11Å; L70-L94 HydrophobicContact CD2-CD2 4.13Å; L70-L94 HydrophobicContact CG-CD2 4.41Å; L74-L94 HydrophobicContact CD1-CD2 3.89Å; A90-L94 WeakPolarHBondContact O-CB 3.35Å; A90-L94 PolarHBondContact O-N 3.28Å; T91-L94 PolarHBondContact O-N 3.02Å; L94-W96 VanDerWaalsContact C-N 3.35Å; L94-L97 HydrophobicContact CD1-CD2 4.24Å; L94-L97 PolarHBondContact O-N 3.46Å; L94-K98 WeakPolarHBondContact O-CB 3.4Å; L94-K98 WeakPolarHBondContact O-CG 3.2Å; L94-K98 PolarHBondContact O-N 3.48Å; L94-V194 HydrophobicContact CD1-CG1 4.47Å; L94-V194 HydrophobicContact CD2-CG1 4.49Å; L94-V194 HydrophobicContact CG-CG1 4.41Å; L94-M197 HydrophobicContact CD2-CE 3.95Å; L94-F198 HydrophobicContact CB-CE2 4.33Å; L94-F198 HydrophobicContact CB-CZ 4.05Å; L94-F198 HydrophobicContact CD2-CE2 3.77Å; L94-F198 HydrophobicContact CD2-CZ 4.24Å; L94-F198 HydrophobicContact CG-CE2 3.77Å; L94-F198 HydrophobicContact CG-CZ 4.01Å
95M98.6Very high97.8Very high1 Ų118.9 Ų18.91%0.00510%0.095CC..Hα-helixtrans-62.1-41.6174.5-171.6-168.369.700112T91 L92 E93 K98 R99 F198 Q205 Y207T91-M95 WeakPolarHBondContact O-CB 3.5Å; T91-M95 PolarHBondContact O-N 3.48Å; L92-M95 HydrophobicContact CD1-CE 3.65Å; L92-M95 VanDerWaalsContact O-CB 3.31Å; L92-M95 WeakPolarHBondContact O-CB 3.43Å; L92-M95 PolarHBondContact O-N 3.31Å; E93-M95 VanDerWaalsContact C-N 3.31Å; E93-M95 PolarHBondContact O-N 3.18Å; M95-K98 VanDerWaalsContact O-CG 3.25Å; M95-K98 WeakPolarHBondContact O-CG 3.43Å; M95-R99 WeakPolarHBondContact O-CD 3.05Å; M95-R99 WeakPolarHBondContact O-CG 3.45Å; M95-R99 PolarHBondContact O-NE 3.44Å; M95-R99 PolarHBondContact SD-NH2 2.86Å; M95-F198 HydrophobicContact CB-CD1 4.4Å; M95-F198 HydrophobicContact CB-CE1 3.55Å; M95-F198 HydrophobicContact CB-CZ 4.02Å; M95-F198 HydrophobicContact CG-CD1 4.33Å; M95-F198 HydrophobicContact CG-CE1 3.95Å; M95-Q205 HydrophobicContact CE-CB 4.31Å; M95-Q205 HydrophobicContact SD-CB 3.7Å; M95-Q205 HydrophobicContact SD-CG 3.98Å; M95-Y207 HydrophobicContact CE-CE1 3.85Å
96W98.3Very high97.9Very high35 Ų3518.6 Ų18.613%0.13310%0.096CC..Hα-helixtrans-72.9-44.8175-74.3109.1000111.4L92 E93 L94 K98 R99 C100 Y207 V209L92-W96 VanDerWaalsContact O-CD1 3.29Å; L92-W96 PolarHBondContact O-N 3.41Å; E93-W96 PolarHBondContact O-N 3.13Å; L94-W96 VanDerWaalsContact C-N 3.35Å; W96-K98 PolarHBondContact O-N 3.19Å; W96-R99 WeakPolarHBondContact O-CB 3.38Å; W96-R99 PolarHBondContact O-N 3.39Å; W96-R99 VanDerWaalsContact O-N 3.13Å; W96-C100 PolarHBondContact O-N 3.41Å; W96-Y207 HydrophobicContact CH2-CE2 4.5Å; W96-Y207 HydrophobicContact CZ2-CD2 4.47Å; W96-Y207 HydrophobicContact CZ2-CE1 4.35Å; W96-Y207 AromaticContact CZ2-CE2 3.61Å; W96-Y207 HydrophobicContact CZ2-CE2 3.61Å; W96-Y207 AromaticContact CZ2-CZ 3.54Å; W96-Y207 WeakPolarHBondContact CZ2-OH 3.27Å; W96-Y207 AromaticContact NE1-CZ 3.9Å; W96-Y207 PolarHBondContact NE1-OH 3.32Å; W96-V209 HydrophobicContact CH2-CG1 3.78Å; W96-V209 HydrophobicContact CH2-CG2 3.91Å; W96-V209 HydrophobicContact CZ2-CG1 3.81Å; W96-V209 HydrophobicContact CZ3-CG2 4.33Å
97L98.3Very high97.9Very high1 Ų118 Ų181%0.0059%0.092CC..Hα-helixtrans-56.6-48178-178.459.7000111.8F23 V27 I49 N52 I53 I56 E93 L94 R99 C100 L101F23-L97 HydrophobicContact CE1-CD2 4.15Å; F23-L97 HydrophobicContact CZ-CD2 4.3Å; V27-L97 HydrophobicContact CG2-CD2 4.3Å; I49-L97 HydrophobicContact CG2-CD1 3.75Å; N52-L97 HydrophobicContact CB-CB 4.21Å; I53-L97 HydrophobicContact CD1-CD1 4.37Å; I53-L97 HydrophobicContact CG1-CD1 4.06Å; I53-L97 HydrophobicContact CG1-CD2 3.9Å; I56-L97 HydrophobicContact CD1-CB 4.46Å; I56-L97 HydrophobicContact CD1-CD2 3.69Å; E93-L97 WeakPolarHBondContact O-CB 3.48Å; E93-L97 PolarHBondContact O-N 3.2Å; L94-L97 HydrophobicContact CD1-CD2 4.24Å; L94-L97 PolarHBondContact O-N 3.46Å; L97-R99 PolarHBondContact O-N 3.4Å; L97-R99 VanDerWaalsContact O-N 3.17Å; L97-C100 WeakPolarHBondContact O-CA 3.39Å; L97-C100 WeakPolarHBondContact O-CB 3.3Å; L97-C100 PolarHBondContact O-N 3.47Å; L97-L101 HydrophobicContact CD1-CD2 4.31Å; L97-L101 HydrophobicContact CD1-CG 4.35Å; L97-L101 HydrophobicContact CG-CD1 4.28Å; L97-L101 HydrophobicContact CG-CG 4.29Å; L97-L101 WeakPolarHBondContact O-CG 3.45Å; L97-L101 PolarHBondContact O-N 2.87Å
98K98.2Very high97.8Very high0 Ų012.5 Ų12.50%07%0.069CC..Hα-helixtrans-58.8-32.6-179.372.9-178.5178.9750112.6L94 M95 W96 L101 R102 V194 Y195 F198 D204L94-K98 WeakPolarHBondContact O-CB 3.4Å; L94-K98 WeakPolarHBondContact O-CG 3.2Å; L94-K98 PolarHBondContact O-N 3.48Å; M95-K98 VanDerWaalsContact O-CG 3.25Å; M95-K98 WeakPolarHBondContact O-CG 3.43Å; W96-K98 PolarHBondContact O-N 3.19Å; K98-L101 PolarHBondContact O-N 2.91Å; K98-R102 WeakPolarHBondContact O-CB 3.37Å; K98-R102 PolarHBondContact O-N 3.5Å; K98-V194 HydrophobicContact CB-CG1 3.8Å; K98-V194 HydrophobicContact CD-CG1 4.04Å; K98-Y195 HydrophobicContact CB-CD2 4.37Å; K98-Y195 HydrophobicContact CB-CE2 3.97Å; K98-Y195 HydrophobicContact CD-CD2 4.35Å; K98-Y195 HydrophobicContact CD-CE2 4.32Å; K98-Y195 HydrophobicContact CG-CD2 4.46Å; K98-Y195 HydrophobicContact CG-CE2 4Å; K98-Y195 WeakPolarHBondContact O-CE2 3.38Å; K98-Y195 PolarHBondContact O-OH 2.96Å; K98-F198 HydrophobicContact CD-CB 4.36Å; K98-F198 HydrophobicContact CD-CD1 4.2Å; K98-F198 HydrophobicContact CD-CD2 3.64Å; K98-F198 HydrophobicContact CD-CE1 4.47Å; K98-F198 HydrophobicContact CD-CE2 3.89Å; K98-F198 HydrophobicContact CD-CG 3.79Å; K98-F198 HydrophobicContact CD-CZ 4.31Å; K98-F198 VanDerWaalsContact CE-CD1 3.48Å; K98-F198 VanDerWaalsContact CE-CG 3.42Å; K98-D204 IonicContact NZ-OD1 3.99Å; K98-D204 PolarHBondContact NZ-OD1 3.36Å; K98-D204 IonicContact NZ-OD2 2.82Å; K98-D204 PolarHBondContact NZ-OD2 3.32Å
99R98.2Very high97.9Very high0 Ų014.1 Ų14.10%07%0.074CC..Hα-helixtrans-68.1-41.9176.2-64.3163.5-177.1-178.6-1111.2M95 W96 L97 R102 F103 A135 L136 Y139 Y195 D204 Q205M95-R99 WeakPolarHBondContact O-CD 3.05Å; M95-R99 WeakPolarHBondContact O-CG 3.45Å; M95-R99 PolarHBondContact O-NE 3.44Å; M95-R99 PolarHBondContact SD-NH2 2.86Å; W96-R99 WeakPolarHBondContact O-CB 3.38Å; W96-R99 PolarHBondContact O-N 3.39Å; W96-R99 VanDerWaalsContact O-N 3.13Å; L97-R99 PolarHBondContact O-N 3.4Å; L97-R99 VanDerWaalsContact O-N 3.17Å; R99-R102 PolarHBondContact O-N 3.2Å; R99-F103 PolarHBondContact O-N 3.28Å; R99-A135 WeakPolarHBondContact O-CB 3.49Å; R99-L136 HydrophobicContact CB-CD2 3.84Å; R99-Y139 HydrophobicContact CG-CD2 4.26Å; R99-Y139 HydrophobicContact CG-CE2 3.86Å; R99-Y139 VanDerWaalsContact NH1-CD1 3.35Å; R99-Y195 WeakPolarHBondContact CA-OH 3.46Å; R99-D204 IonicContact CZ-OD1 3.83Å; R99-D204 IonicContact NE-OD1 2.94Å; R99-D204 IonicContact NH2-OD1 3.72Å; R99-D204 PolarHBondContact NH2-OD1 3.34Å; R99-Q205 PolarHBondContact NH2-O 3.22Å
100C96.3Very high98Very high12 Ų1212.7 Ų12.78%0.0816%0.06CC..Hα-helixtrans-62.9-43.6171.5-176.70000112I49 W96 L97 R102 F103 I104I49-C100 HydrophobicContact CD1-CB 4.42Å; I49-C100 WeakPolarHBondContact CD1-SG 3.4Å; I49-C100 HydrophobicContact CG1-CB 4.23Å; W96-C100 PolarHBondContact O-N 3.41Å; L97-C100 WeakPolarHBondContact O-CA 3.39Å; L97-C100 WeakPolarHBondContact O-CB 3.3Å; L97-C100 PolarHBondContact O-N 3.47Å; C100-R102 VanDerWaalsContact C-N 3.29Å; C100-R102 PolarHBondContact O-N 2.88Å; C100-F103 WeakPolarHBondContact O-CA 3.48Å; C100-F103 VanDerWaalsContact O-CB 3.3Å; C100-F103 WeakPolarHBondContact O-CB 3.35Å; C100-F103 PolarHBondContact O-N 2.87Å; C100-I104 PolarHBondContact O-N 3.48Å
101L97.3Very high97.9Very high3 Ų313.1 Ų13.12%0.0166%0.062CC..Hα-helixtrans-60.6-40.3177-59.5-178.5000111.5F23 V27 L30 L97 K98 F103 I104 Q105 F187 V191F23-L101 HydrophobicContact CE2-CD1 3.89Å; F23-L101 HydrophobicContact CZ-CD1 3.75Å; V27-L101 HydrophobicContact CG1-CD1 3.94Å; V27-L101 HydrophobicContact CG1-CD2 4.04Å; L30-L101 HydrophobicContact CD1-CD2 3.4Å; L30-L101 VanDerWaalsContact CD1-CD2 3.4Å; L97-L101 HydrophobicContact CD1-CD2 4.31Å; L97-L101 HydrophobicContact CD1-CG 4.35Å; L97-L101 HydrophobicContact CG-CD1 4.28Å; L97-L101 HydrophobicContact CG-CG 4.29Å; L97-L101 WeakPolarHBondContact O-CG 3.45Å; L97-L101 PolarHBondContact O-N 2.87Å; K98-L101 PolarHBondContact O-N 2.91Å; L101-F103 VanDerWaalsContact C-N 3.34Å; L101-F103 PolarHBondContact O-N 3.15Å; L101-I104 PolarHBondContact O-N 3.31Å; L101-Q105 WeakPolarHBondContact O-CB 3.49Å; L101-Q105 PolarHBondContact O-N 2.89Å; L101-F187 HydrophobicContact CB-CE2 4.21Å; L101-F187 HydrophobicContact CB-CZ 4.04Å; L101-F187 HydrophobicContact CD2-CE2 4.11Å; L101-F187 HydrophobicContact CD2-CZ 4.33Å; L101-F187 WeakPolarHBondContact O-CZ 3.47Å; L101-V191 HydrophobicContact CB-CG1 4.46Å; L101-V191 HydrophobicContact CB-CG2 3.72Å; L101-V191 HydrophobicContact CD1-CG2 4.37Å
102R98.4Very high97.8Very high39 Ų3913.4 Ų13.415%0.1476%0.064CC..Hα-helixtrans-62.3-39.5173.1-176.46364.6175.97112.3K98 R99 C100 Q105 V106 A135 V191 D192 Y195K98-R102 WeakPolarHBondContact O-CB 3.37Å; K98-R102 PolarHBondContact O-N 3.5Å; R99-R102 PolarHBondContact O-N 3.2Å; C100-R102 VanDerWaalsContact C-N 3.29Å; C100-R102 PolarHBondContact O-N 2.88Å; R102-Q105 VanDerWaalsContact NH1-CD 3.31Å; R102-Q105 VanDerWaalsContact NH1-NE2 3.2Å; R102-Q105 PolarHBondContact O-N 2.96Å; R102-V106 HydrophobicContact CG-CG2 4.28Å; R102-V106 VanDerWaalsContact O-CG2 3.31Å; R102-V106 WeakPolarHBondContact O-CG2 3.21Å; R102-V106 PolarHBondContact O-N 3.01Å; R102-A135 HydrophobicContact CB-CB 3.97Å; R102-A135 HydrophobicContact CG-CB 3.85Å; R102-V191 HydrophobicContact CB-CG1 4.37Å; R102-D192 IonicContact CZ-OD1 2.7Å; R102-D192 IonicContact NH1-OD1 3.47Å; R102-D192 PolarHBondContact NH1-OD1 2.99Å; R102-D192 IonicContact NH2-OD1 2.67Å; R102-D192 PolarHBondContact NH2-OD1 2.76Å; R102-Y195 HydrophobicContact CB-CE2 3.81Å; R102-Y195 VanDerWaalsContact CB-OH 3.26Å; R102-Y195 WeakPolarHBondContact CB-OH 3.3Å; R102-Y195 HydrophobicContact CG-CE2 4.38Å
103F97.4Very high97.8Very high13 Ų1316.4 Ų16.46%0.0578%0.08CC..Hα-helixtrans-58.5-50.9173.9171.9-87.3000110.6R99 C100 L101 Q105 V106 F107 I128 A131 A135 L136R99-F103 PolarHBondContact O-N 3.28Å; C100-F103 WeakPolarHBondContact O-CA 3.48Å; C100-F103 VanDerWaalsContact O-CB 3.3Å; C100-F103 WeakPolarHBondContact O-CB 3.35Å; C100-F103 PolarHBondContact O-N 2.87Å; L101-F103 VanDerWaalsContact C-N 3.34Å; L101-F103 PolarHBondContact O-N 3.15Å; F103-Q105 VanDerWaalsContact C-N 3.3Å; F103-Q105 PolarHBondContact O-N 3.41Å; F103-V106 PolarHBondContact O-N 3.46Å; F103-F107 WeakPolarHBondContact O-CB 3.17Å; F103-F107 PolarHBondContact O-N 3.49Å; F103-I128 HydrophobicContact CE2-CG2 4.29Å; F103-I128 HydrophobicContact CZ-CG2 4.04Å; F103-A131 HydrophobicContact CD2-CB 3.54Å; F103-A131 HydrophobicContact CE2-CB 3.63Å; F103-A131 HydrophobicContact CG-CB 4.13Å; F103-A131 HydrophobicContact CZ-CB 4.29Å; F103-A131 WeakPolarHBondContact O-CB 3.16Å; F103-A135 HydrophobicContact CB-CB 3.82Å; F103-L136 HydrophobicContact CB-CD1 4.1Å; F103-L136 HydrophobicContact CD2-CD1 4.02Å; F103-L136 HydrophobicContact CG-CD1 4.19Å
104I96.1Very high97.7Very high1 Ų117.4 Ų17.41%0.00510%0.097CC..Hα-helixtrans-59.3-43.7178.2-62.9170.8000110.4L30 F33 F34 C100 L101 F107 L108 F187L30-I104 HydrophobicContact CB-CD1 4.27Å; F33-I104 HydrophobicContact CD1-CG1 4.34Å; F33-I104 HydrophobicContact CE1-CG1 4.42Å; F33-I104 HydrophobicContact CE1-CG2 4.5Å; F34-I104 HydrophobicContact CE2-CD1 4.05Å; F34-I104 HydrophobicContact CZ-CD1 4.24Å; F34-I104 HydrophobicContact CZ-CG1 4.28Å; C100-I104 PolarHBondContact O-N 3.48Å; L101-I104 PolarHBondContact O-N 3.31Å; I104-F107 PolarHBondContact O-N 3.41Å; I104-L108 HydrophobicContact CG2-CD1 3.72Å; I104-L108 HydrophobicContact CG2-CG 4.18Å; I104-L108 WeakPolarHBondContact O-CB 3.48Å; I104-L108 VanDerWaalsContact O-CG 3.29Å; I104-L108 WeakPolarHBondContact O-CG 3.43Å; I104-L108 PolarHBondContact O-N 3.48Å; I104-F187 HydrophobicContact CB-CE1 4.32Å; I104-F187 HydrophobicContact CB-CZ 4.22Å; I104-F187 HydrophobicContact CG2-CE1 4.07Å; I104-F187 HydrophobicContact CG2-CZ 4.18Å
105Q97.6Very high97.6Very high18 Ų1821 Ų218%0.08411%0.113CC..Hα-helixtrans-59.4-54.1179.6-175.6-168.3-3.800111.5L101 R102 F103 F107 L108 Q109 L184 F187 S188L101-Q105 WeakPolarHBondContact O-CB 3.49Å; L101-Q105 PolarHBondContact O-N 2.89Å; R102-Q105 VanDerWaalsContact NH1-CD 3.31Å; R102-Q105 VanDerWaalsContact NH1-NE2 3.2Å; R102-Q105 PolarHBondContact O-N 2.96Å; F103-Q105 VanDerWaalsContact C-N 3.3Å; F103-Q105 PolarHBondContact O-N 3.41Å; Q105-F107 VanDerWaalsContact C-N 3.31Å; Q105-F107 PolarHBondContact O-N 3.25Å; Q105-L108 PolarHBondContact O-N 2.98Å; Q105-Q109 WeakPolarHBondContact O-CB 3.5Å; Q105-Q109 PolarHBondContact O-N 2.89Å; Q105-L184 HydrophobicContact CG-CD2 4.35Å; Q105-F187 HydrophobicContact CB-CD1 4.16Å; Q105-F187 HydrophobicContact CB-CE1 3.63Å; Q105-F187 HydrophobicContact CB-CZ 4.48Å; Q105-F187 HydrophobicContact CG-CD1 4.4Å; Q105-F187 HydrophobicContact CG-CE1 4.34Å; Q105-S188 WeakPolarHBondContact CG-OG 3.18Å; Q105-S188 PolarHBondContact NE2-OG 3.46Å
106V98.6Very high97.5Very high21 Ų2126.6 Ų26.613%0.12714%0.138CC..Hα-helixtrans-65.4-38.6-177.9175.70000110.8R102 F103 S110 K130 A131 V134R102-V106 HydrophobicContact CG-CG2 4.28Å; R102-V106 VanDerWaalsContact O-CG2 3.31Å; R102-V106 WeakPolarHBondContact O-CG2 3.21Å; R102-V106 PolarHBondContact O-N 3.01Å; F103-V106 PolarHBondContact O-N 3.46Å; V106-S110 WeakPolarHBondContact O-CB 3.41Å; V106-S110 PolarHBondContact O-N 2.87Å; V106-K130 HydrophobicContact CG1-CD 4.35Å; V106-K130 HydrophobicContact CG1-CG 4.09Å; V106-A131 HydrophobicContact CB-CB 4.1Å; V106-A131 HydrophobicContact CG1-CB 4.11Å; V106-V134 HydrophobicContact CG1-CG2 4.48Å; V106-V134 HydrophobicContact CG2-CB 4.4Å; V106-V134 HydrophobicContact CG2-CG1 3.98Å
107F97.6Very high97.4Very high0 Ų027.4 Ų27.40%014%0.144CC..Hα-helixtrans-62.8-52.5177.7173.3-121.4000111.7F33 L37 F103 I104 Q105 Q109 S110 L111 I124 N127 I128 A131 L161F33-F107 AromaticContact CE1-CD1 3.96Å; F33-F107 HydrophobicContact CE1-CD1 3.96Å; F33-F107 HydrophobicContact CE1-CE1 4.11Å; F33-F107 AromaticContact CZ-CD1 3.57Å; F33-F107 HydrophobicContact CZ-CD1 3.57Å; F33-F107 AromaticContact CZ-CE1 3.52Å; F33-F107 HydrophobicContact CZ-CE1 3.52Å; L37-F107 HydrophobicContact CD2-CE1 4.24Å; L37-F107 HydrophobicContact CD2-CZ 4.32Å; F103-F107 WeakPolarHBondContact O-CB 3.17Å; F103-F107 PolarHBondContact O-N 3.49Å; I104-F107 PolarHBondContact O-N 3.41Å; Q105-F107 VanDerWaalsContact C-N 3.31Å; Q105-F107 PolarHBondContact O-N 3.25Å; F107-Q109 VanDerWaalsContact C-N 3.34Å; F107-Q109 PolarHBondContact O-N 3.34Å; F107-S110 WeakPolarHBondContact O-CB 3.32Å; F107-S110 PolarHBondContact O-N 3.48Å; F107-L111 HydrophobicContact CE1-CD1 3.96Å; F107-L111 HydrophobicContact CE2-CD1 4.09Å; F107-L111 HydrophobicContact CE2-CD2 4.33Å; F107-L111 HydrophobicContact CE2-CG 4.17Å; F107-L111 HydrophobicContact CZ-CD1 3.67Å; F107-L111 HydrophobicContact CZ-CG 4.25Å; F107-L111 PolarHBondContact O-N 3.4Å; F107-L111 VanDerWaalsContact O-N 3.14Å; F107-I124 HydrophobicContact CE2-CB 4.15Å; F107-I124 HydrophobicContact CE2-CD1 4.32Å; F107-I124 HydrophobicContact CZ-CB 4.38Å; F107-I124 HydrophobicContact CZ-CD1 3.86Å; F107-N127 HydrophobicContact CD2-CB 3.67Å; F107-N127 HydrophobicContact CE2-CB 3.69Å; F107-I128 HydrophobicContact CD2-CG1 3.82Å; F107-I128 HydrophobicContact CE2-CD1 4.43Å; F107-I128 HydrophobicContact CE2-CG1 3.55Å; F107-I128 HydrophobicContact CZ-CG1 4.16Å; F107-A131 HydrophobicContact CB-CB 3.73Å; F107-L161 HydrophobicContact CE1-CD2 3.79Å; F107-L161 HydrophobicContact CZ-CD2 3.54Å
108L96.8Very high97.2Very high0 Ų032.4 Ų32.40%018%0.18CC..Hα-helixtrans-64.9-38.8179-70.7-178.8000111.8L4 F33 I104 Q105 L111 V112 I180 F183 L184L4-L108 HydrophobicContact CD1-CD1 4.11Å; F33-L108 HydrophobicContact CE2-CD2 3.87Å; F33-L108 HydrophobicContact CZ-CD2 3.94Å; F33-L108 HydrophobicContact CZ-CG 4.39Å; I104-L108 HydrophobicContact CG2-CD1 3.72Å; I104-L108 HydrophobicContact CG2-CG 4.18Å; I104-L108 WeakPolarHBondContact O-CB 3.48Å; I104-L108 VanDerWaalsContact O-CG 3.29Å; I104-L108 WeakPolarHBondContact O-CG 3.43Å; I104-L108 PolarHBondContact O-N 3.48Å; Q105-L108 PolarHBondContact O-N 2.98Å; L108-L111 HydrophobicContact CD2-CD1 4.35Å; L108-L111 WeakPolarHBondContact O-CB 3.42Å; L108-L111 PolarHBondContact O-N 3.44Å; L108-V112 PolarHBondContact O-N 2.95Å; L108-V112 VanDerWaalsContact O-N 3.1Å; L108-I180 HydrophobicContact CB-CG2 3.82Å; L108-I180 HydrophobicContact CD1-CG2 4.33Å; L108-I180 HydrophobicContact CD2-CD1 4.39Å; L108-I180 HydrophobicContact CD2-CG2 4.05Å; L108-I180 HydrophobicContact CG-CG2 4.29Å; L108-F183 HydrophobicContact CD1-CD1 4.07Å; L108-F183 HydrophobicContact CD1-CE1 3.94Å; L108-L184 HydrophobicContact CB-CD1 4.11Å; L108-L184 HydrophobicContact CB-CD2 3.94Å; L108-L184 HydrophobicContact CB-CG 4.31Å
109Q98.4Very high97.1Very high68 Ų6837.1 Ų37.132%0.31821%0.212SC..Hα-helixtrans-61.2-47.1175.7-171.561.954.700110.9Q105 F107 L111 V112 D113 L184Q105-Q109 WeakPolarHBondContact O-CB 3.5Å; Q105-Q109 PolarHBondContact O-N 2.89Å; F107-Q109 VanDerWaalsContact C-N 3.34Å; F107-Q109 PolarHBondContact O-N 3.34Å; Q109-L111 VanDerWaalsContact C-N 3.26Å; Q109-L111 PolarHBondContact O-N 3.44Å; Q109-V112 WeakPolarHBondContact O-CG2 3.4Å; Q109-V112 PolarHBondContact O-N 3.45Å; Q109-V112 VanDerWaalsContact O-N 3.12Å; Q109-D113 WeakPolarHBondContact CG-OD2 3.35Å; Q109-D113 PolarHBondContact NE2-OD1 3.29Å; Q109-D113 PolarHBondContact NE2-OD2 3.48Å; Q109-D113 WeakPolarHBondContact O-CB 3.39Å; Q109-D113 PolarHBondContact O-N 3.37Å; Q109-L184 HydrophobicContact CB-CD1 4.31Å
110S98.5Very high97Very high0 Ų040.8 Ų40.80%023%0.232CC..Hα-helixtrans-57.6-37.1176.6-178.90000112.5V106 F107 G114 E115 N127V106-S110 WeakPolarHBondContact O-CB 3.41Å; V106-S110 PolarHBondContact O-N 2.87Å; F107-S110 WeakPolarHBondContact O-CB 3.32Å; F107-S110 PolarHBondContact O-N 3.48Å; S110-G114 PolarHBondContact O-N 3.13Å; S110-E115 WeakPolarHBondContact CB-OE2 3.47Å; S110-E115 WeakPolarHBondContact O-CB 3.4Å; S110-E115 PolarHBondContact O-N 3.46Å; S110-E115 VanDerWaalsContact O-N 3.13Å; S110-E115 PolarHBondContact OG-OE2 2.93Å; S110-N127 PolarHBondContact O-ND2 2.92Å; S110-N127 WeakPolarHBondContact OG-CB 3.23Å; S110-N127 PolarHBondContact OG-ND2 2.71Å
111L96.8Very high96.9Very high8 Ų843 Ų434%0.04225%0.247CC..Hα-helixtrans-66.8-45174.4-68.2176.9000112.7F107 L108 Q109 D113 G114 I124 N127 K158 L161 L177F107-L111 HydrophobicContact CE1-CD1 3.96Å; F107-L111 HydrophobicContact CE2-CD1 4.09Å; F107-L111 HydrophobicContact CE2-CD2 4.33Å; F107-L111 HydrophobicContact CE2-CG 4.17Å; F107-L111 HydrophobicContact CZ-CD1 3.67Å; F107-L111 HydrophobicContact CZ-CG 4.25Å; F107-L111 PolarHBondContact O-N 3.4Å; F107-L111 VanDerWaalsContact O-N 3.14Å; L108-L111 HydrophobicContact CD2-CD1 4.35Å; L108-L111 WeakPolarHBondContact O-CB 3.42Å; L108-L111 PolarHBondContact O-N 3.44Å; Q109-L111 VanDerWaalsContact C-N 3.26Å; Q109-L111 PolarHBondContact O-N 3.44Å; L111-D113 VanDerWaalsContact C-N 3.31Å; L111-D113 PolarHBondContact O-N 3.33Å; L111-G114 PolarHBondContact O-N 2.93Å; L111-I124 HydrophobicContact CD2-CG2 3.87Å; L111-N127 HydrophobicContact CD2-CB 4.34Å; L111-K158 HydrophobicContact CD2-CD 4.5Å; L111-K158 HydrophobicContact CD2-CG 4.41Å; L111-L161 HydrophobicContact CD1-CD2 3.91Å; L111-L177 HydrophobicContact CB-CD2 4.41Å
112V97.2Very high96.8Very high7 Ų745.8 Ų45.84%0.04226%0.261CS..Hα-helixtrans-74-23.8-177.7-610000113.4L108 Q109 L177 I180 R181 L184L108-V112 PolarHBondContact O-N 2.95Å; L108-V112 VanDerWaalsContact O-N 3.1Å; Q109-V112 WeakPolarHBondContact O-CG2 3.4Å; Q109-V112 PolarHBondContact O-N 3.45Å; Q109-V112 VanDerWaalsContact O-N 3.12Å; V112-L177 HydrophobicContact CG1-CB 4.44Å; V112-L177 HydrophobicContact CG1-CD2 4.23Å; V112-I180 HydrophobicContact CG1-CB 3.77Å; V112-I180 HydrophobicContact CG1-CG2 3.49Å; V112-I180 VanDerWaalsContact CG1-CG2 3.49Å; V112-R181 HydrophobicContact CB-CG 3.72Å; V112-R181 HydrophobicContact CG1-CG 3.75Å; V112-R181 HydrophobicContact CG2-CG 4.07Å; V112-R181 PolarHBondContact O-NH2 2.99Å; V112-R181 VanDerWaalsContact O-NH2 3.07Å; V112-L184 HydrophobicContact CG1-CD1 4.37Å; V112-L184 HydrophobicContact CG2-CD1 3.85Å
113D97.8Very high96.7Very high94 Ų9445.4 Ų45.450%0.50326%0.262SS..THydrogen-bonded Turntrans-77.1-8.3172.2-65.9-15.2000112.1Q109 L111 E115Q109-D113 WeakPolarHBondContact CG-OD2 3.35Å; Q109-D113 PolarHBondContact NE2-OD1 3.29Å; Q109-D113 PolarHBondContact NE2-OD2 3.48Å; Q109-D113 WeakPolarHBondContact O-CB 3.39Å; Q109-D113 PolarHBondContact O-N 3.37Å; L111-D113 VanDerWaalsContact C-N 3.31Å; L111-D113 PolarHBondContact O-N 3.33Å; D113-E115 VanDerWaalsContact C-N 3.32Å; D113-E115 HydrophobicContact CB-CG 4.3Å; D113-E115 PolarHBondContact O-N 3.49Å
114G96.1Very high96.7Very high45 Ų4544.8 Ų44.846%0.46426%0.259SS..THydrogen-bonded Turntrans76.416.7177.400000114.2S110 L111 K116S110-G114 PolarHBondContact O-N 3.13Å; L111-G114 PolarHBondContact O-N 2.93Å; G114-K116 PolarHBondContact O-N 2.72Å
115E97.3Very high96.7Very high74 Ų7448.4 Ų48.435%0.34627%0.273SS..  trans-63.3128.7175.6-62.6-178.5172.700110.1S110 D113 N127 K130S110-E115 WeakPolarHBondContact CB-OE2 3.47Å; S110-E115 WeakPolarHBondContact O-CB 3.4Å; S110-E115 PolarHBondContact O-N 3.46Å; S110-E115 VanDerWaalsContact O-N 3.13Å; S110-E115 PolarHBondContact OG-OE2 2.93Å; D113-E115 VanDerWaalsContact C-N 3.32Å; D113-E115 HydrophobicContact CB-CG 4.3Å; D113-E115 PolarHBondContact O-N 3.49Å; E115-N127 PolarHBondContact O-ND2 3.21Å; E115-K130 IonicContact OE1-NZ 2.78Å; E115-K130 PolarHBondContact OE1-NZ 3.49Å; E115-K130 WeakPolarHBondContact OE2-CD 3.49Å; E115-K130 IonicContact OE2-NZ 2.78Å; E115-K130 PolarHBondContact OE2-NZ 3.48Å
116K96.4Very high96.7Very high120 Ų12050.6 Ų50.652%0.52229%0.287SS..  trans-158.3157.7-176.964.3-168.2-179-176.80111.3G114 S118 P121G114-K116 PolarHBondContact O-N 2.72Å; K116-S118 PolarHBondContact O-N 3.36Å; K116-P121 HydrophobicContact CD-CB 3.92Å
117D95.3Very high96.6Very high51 Ų5149.7 Ų49.727%0.27328%0.282SS..  trans-74.1116.9162.2174.56.3000108.5S119 N120 P121 V126D117-S119 PolarHBondContact O-N 3.02Å; D117-S119 WeakPolarHBondContact OD1-CB 3.4Å; D117-S119 PolarHBondContact OD1-N 3.25Å; D117-S119 PolarHBondContact OD1-OG 2.9Å; D117-N120 HydrophobicContact CB-CB 4.49Å; D117-N120 CarbonylContact O-C 3.59Å; D117-N120 PolarHBondContact O-N 3.17Å; D117-N120 VanDerWaalsContact O-N 3.08Å; D117-N120 PolarHBondContact OD2-ND2 2.99Å; D117-P121 VanDerWaalsContact O-CA 3.25Å; D117-P121 WeakPolarHBondContact O-CA 3.1Å; D117-V126 HydrophobicContact CB-CG1 4.04Å
118S94.8Very high96.6Very high107 Ų10749.9 Ų49.975%0.74828%0.283SS*.THydrogen-bonded Turntrans-59.9-27.5178.4-61.40000113.2K116K116-S118 PolarHBondContact O-N 3.36Å
119S96.8Very high96.6Very high98 Ų9852 Ų5269%0.68530%0.296SS*.THydrogen-bonded Turntrans-78.7-28.1178.1-46.60000111.9D117D117-S119 PolarHBondContact O-N 3.02Å; D117-S119 WeakPolarHBondContact OD1-CB 3.4Å; D117-S119 PolarHBondContact OD1-N 3.25Å; D117-S119 PolarHBondContact OD1-OG 2.9Å
120N95.3Very high96.6Very high78 Ų7852.3 Ų52.342%0.41730%0.296SS..SBendtrans-138.265.1-177-57.6-83.4000111.1D117 N122 L123D117-N120 HydrophobicContact CB-CB 4.49Å; D117-N120 CarbonylContact O-C 3.59Å; D117-N120 PolarHBondContact O-N 3.17Å; D117-N120 VanDerWaalsContact O-N 3.08Å; D117-N120 PolarHBondContact OD2-ND2 2.99Å; N120-N122 PolarHBondContact O-N 2.92Å; N120-L123 HydrophobicContact CB-CB 4.31Å; N120-L123 HydrophobicContact CB-CD1 3.63Å; N120-L123 HydrophobicContact CB-CG 3.92Å; N120-L123 PolarHBondContact O-N 3.06Å
121P94.8Very high96.6Very high59 Ų5952.3 Ų52.338%0.38330%0.296SS..THydrogen-bonded Turntrans-69.1-10.7-167.727.5-36.9000114.6K116 D117K116-P121 HydrophobicContact CD-CB 3.92Å; D117-P121 VanDerWaalsContact O-CA 3.25Å; D117-P121 WeakPolarHBondContact O-CA 3.1Å
122N95.9Very high96.7Very high60 Ų6052.3 Ų52.332%0.32130%0.296SS..THydrogen-bonded Turntrans-92.6-3.7174.2-156.823.2000112.9N120 Y157 K158 S159N120-N122 PolarHBondContact O-N 2.92Å; N122-Y157 HydrophobicContact CB-CD1 4.14Å; N122-Y157 CarbonylContact O-C 3.59Å; N122-Y157 VanDerWaalsContact O-CA 3.31Å; N122-Y157 WeakPolarHBondContact O-CA 3.26Å; N122-K158 PolarHBondContact O-N 3.25Å; N122-K158 PolarHBondContact OD1-N 3.25Å; N122-S159 PolarHBondContact ND2-OG 2.94Å; N122-S159 PolarHBondContact OD1-N 2.85Å; N122-S159 VanDerWaalsContact OD1-N 3.12Å; N122-S159 PolarHBondContact OD1-OG 3.13Å
123L96.3Very high96.7Very high32 Ų3255.2 Ų55.217%0.16831%0.311CS..BIsolated β-bridgetrans-89141.4172.3-64.8-178.7000110.5N120 Y157N120-L123 HydrophobicContact CB-CB 4.31Å; N120-L123 HydrophobicContact CB-CD1 3.63Å; N120-L123 HydrophobicContact CB-CG 3.92Å; N120-L123 PolarHBondContact O-N 3.06Å; L123-Y157 HydrophobicContact CD2-CD1 3.77Å; L123-Y157 HydrophobicContact CD2-CE1 3.61Å
124I96.3Very high96.7Very high0 Ų054.2 Ų54.20%031%0.308CS..  trans-102.711.9177.159.1175.5000113.1L37 F107 L111 V126 N127 I128 A155 P156 K158 L161L37-I124 HydrophobicContact CD2-CD1 3.95Å; F107-I124 HydrophobicContact CE2-CB 4.15Å; F107-I124 HydrophobicContact CE2-CD1 4.32Å; F107-I124 HydrophobicContact CZ-CB 4.38Å; F107-I124 HydrophobicContact CZ-CD1 3.86Å; L111-I124 HydrophobicContact CD2-CG2 3.87Å; I124-V126 VanDerWaalsContact C-N 3.32Å; I124-V126 PolarHBondContact O-N 2.59Å; I124-N127 WeakPolarHBondContact CA-OD1 3.47Å; I124-N127 PolarHBondContact O-N 2.87Å; I124-N127 PolarHBondContact O-OD1 2.93Å; I124-I128 HydrophobicContact CD1-CD1 3.81Å; I124-I128 HydrophobicContact CG1-CD1 3.82Å; I124-I128 HydrophobicContact CG1-CG1 4.44Å; I124-I128 WeakPolarHBondContact O-CG1 3.47Å; I124-I128 PolarHBondContact O-N 3.42Å; I124-A155 HydrophobicContact CG1-CB 4.28Å; I124-P156 HydrophobicContact CD1-CG 3.95Å; I124-P156 WeakPolarHBondContact CG1-O 3.48Å; I124-K158 HydrophobicContact CG2-CB 3.56Å; I124-K158 HydrophobicContact CG2-CG 3.86Å; I124-L161 HydrophobicContact CD1-CD2 3.85Å
125R95.6Very high96.8Very high77 Ų7752.1 Ų52.129%0.29129%0.286SS..Hα-helixtrans-63.4-37.5-174-66.6-176.2-179.3163.72.6112.3T129 L152 Y153R125-T129 VanDerWaalsContact O-CB 3.28Å; R125-T129 WeakPolarHBondContact O-CB 3.36Å; R125-T129 PolarHBondContact O-N 3Å; R125-T129 PolarHBondContact O-OG1 3.35Å; R125-L152 HydrophobicContact CB-CD1 4.08Å; R125-L152 HydrophobicContact CB-CD2 4.33Å; R125-L152 HydrophobicContact CB-CG 4.15Å; R125-L152 HydrophobicContact CG-CD1 4.14Å; R125-L152 HydrophobicContact CG-CG 4.04Å; R125-L152 PolarHBondContact NE-O 3.26Å; R125-Y153 PolarHBondContact NH2-O 2.8Å
126V97.4Very high96.8Very high64 Ų6450 Ų5039%0.38828%0.277SS..Hα-helixtrans-64.3-41.2176.8-620000111.4D117 I124 T129 K130D117-V126 HydrophobicContact CB-CG1 4.04Å; I124-V126 VanDerWaalsContact C-N 3.32Å; I124-V126 PolarHBondContact O-N 2.59Å; V126-T129 PolarHBondContact O-N 2.97Å; V126-K130 WeakPolarHBondContact O-CB 3.5Å; V126-K130 PolarHBondContact O-N 3.01Å
127N98.1Very high96.9Very high2 Ų248.1 Ų48.11%0.01127%0.269CS..Hα-helixtrans-67.5-45.6178.9-44.783.3000110.9F107 S110 L111 E115 I124 T129 K130 A131F107-N127 HydrophobicContact CD2-CB 3.67Å; F107-N127 HydrophobicContact CE2-CB 3.69Å; S110-N127 PolarHBondContact O-ND2 2.92Å; S110-N127 WeakPolarHBondContact OG-CB 3.23Å; S110-N127 PolarHBondContact OG-ND2 2.71Å; L111-N127 HydrophobicContact CD2-CB 4.34Å; E115-N127 PolarHBondContact O-ND2 3.21Å; I124-N127 WeakPolarHBondContact CA-OD1 3.47Å; I124-N127 PolarHBondContact O-N 2.87Å; I124-N127 PolarHBondContact O-OD1 2.93Å; N127-T129 VanDerWaalsContact C-N 3.34Å; N127-T129 PolarHBondContact O-N 3.42Å; N127-K130 PolarHBondContact O-N 2.9Å; N127-A131 WeakPolarHBondContact O-CB 3.34Å; N127-A131 PolarHBondContact O-N 3.45Å
128I96.3Very high97Very high4 Ų452.7 Ų52.72%0.02128%0.282CS..Hα-helixtrans-62.9-41.9177.1-69.4173.1000110.9F103 F107 I124 A131 Y132 F148 L152 A155F103-I128 HydrophobicContact CE2-CG2 4.29Å; F103-I128 HydrophobicContact CZ-CG2 4.04Å; F107-I128 HydrophobicContact CD2-CG1 3.82Å; F107-I128 HydrophobicContact CE2-CD1 4.43Å; F107-I128 HydrophobicContact CE2-CG1 3.55Å; F107-I128 HydrophobicContact CZ-CG1 4.16Å; I124-I128 HydrophobicContact CD1-CD1 3.81Å; I124-I128 HydrophobicContact CG1-CD1 3.82Å; I124-I128 HydrophobicContact CG1-CG1 4.44Å; I124-I128 WeakPolarHBondContact O-CG1 3.47Å; I124-I128 PolarHBondContact O-N 3.42Å; I128-A131 PolarHBondContact O-N 3.45Å; I128-Y132 WeakPolarHBondContact O-CB 3.34Å; I128-Y132 PolarHBondContact O-N 2.71Å; I128-F148 HydrophobicContact CG2-CE2 3.92Å; I128-F148 HydrophobicContact CG2-CZ 3.84Å; I128-L152 HydrophobicContact CB-CD1 3.8Å; I128-L152 HydrophobicContact CD1-CD1 4.41Å; I128-L152 HydrophobicContact CG2-CD1 3.49Å; I128-L152 VanDerWaalsContact CG2-CD1 3.49Å; I128-A155 HydrophobicContact CD1-CB 3.54Å
129T97.9Very high97.1Very high45 Ų4548 Ų4828%0.27625%0.248SC..Hα-helixtrans-64.4-46.5179.2-58.60000110.9R125 V126 N127 A131 Y132 D133 L152R125-T129 VanDerWaalsContact O-CB 3.28Å; R125-T129 WeakPolarHBondContact O-CB 3.36Å; R125-T129 PolarHBondContact O-N 3Å; R125-T129 PolarHBondContact O-OG1 3.35Å; V126-T129 PolarHBondContact O-N 2.97Å; N127-T129 VanDerWaalsContact C-N 3.34Å; N127-T129 PolarHBondContact O-N 3.42Å; T129-A131 VanDerWaalsContact C-N 3.34Å; T129-A131 PolarHBondContact O-N 2.98Å; T129-Y132 PolarHBondContact O-N 3.32Å; T129-D133 WeakPolarHBondContact O-CB 3.27Å; T129-D133 PolarHBondContact O-N 3.37Å; T129-L152 WeakPolarHBondContact OG1-CD2 3.45Å
130K98.6Very high97.1Very high74 Ų7444.6 Ų44.632%0.32222%0.222SC..Hα-helixtrans-55.7-48.9174.3-178.8-174.7-179.9-172.80111.4V106 E115 V126 N127 Y132 D133 V134V106-K130 HydrophobicContact CG1-CD 4.35Å; V106-K130 HydrophobicContact CG1-CG 4.09Å; E115-K130 IonicContact OE1-NZ 2.78Å; E115-K130 PolarHBondContact OE1-NZ 3.49Å; E115-K130 WeakPolarHBondContact OE2-CD 3.49Å; E115-K130 IonicContact OE2-NZ 2.78Å; E115-K130 PolarHBondContact OE2-NZ 3.48Å; V126-K130 WeakPolarHBondContact O-CB 3.5Å; V126-K130 PolarHBondContact O-N 3.01Å; N127-K130 PolarHBondContact O-N 2.9Å; K130-Y132 VanDerWaalsContact C-N 3.32Å; K130-Y132 PolarHBondContact O-N 3.24Å; K130-D133 PolarHBondContact O-N 2.84Å; K130-V134 WeakPolarHBondContact O-CG2 3.42Å; K130-V134 PolarHBondContact O-N 2.91Å; K130-V134 VanDerWaalsContact O-N 3.1Å
131A98.2Very high97.3Very high0 Ų041.8 Ų41.80%021%0.211CC..Hα-helixtrans-60.2-42.3178.600000112.5F103 V106 F107 N127 I128 T129 A135F103-A131 HydrophobicContact CD2-CB 3.54Å; F103-A131 HydrophobicContact CE2-CB 3.63Å; F103-A131 HydrophobicContact CG-CB 4.13Å; F103-A131 HydrophobicContact CZ-CB 4.29Å; F103-A131 WeakPolarHBondContact O-CB 3.16Å; V106-A131 HydrophobicContact CB-CB 4.1Å; V106-A131 HydrophobicContact CG1-CB 4.11Å; F107-A131 HydrophobicContact CB-CB 3.73Å; N127-A131 WeakPolarHBondContact O-CB 3.34Å; N127-A131 PolarHBondContact O-N 3.45Å; I128-A131 PolarHBondContact O-N 3.45Å; T129-A131 VanDerWaalsContact C-N 3.34Å; T129-A131 PolarHBondContact O-N 2.98Å; A131-A135 WeakPolarHBondContact O-CB 3.33Å; A131-A135 PolarHBondContact O-N 2.92Å
132Y97.6Very high97.4Very high7 Ų748.2 Ų48.23%0.02723%0.228CC..Hα-helixtrans-64.5-47.2177.4178.9-104.6000112.9I128 T129 K130 V134 A135 L136 K137 H140 Q145 F148I128-Y132 WeakPolarHBondContact O-CB 3.34Å; I128-Y132 PolarHBondContact O-N 2.71Å; T129-Y132 PolarHBondContact O-N 3.32Å; K130-Y132 VanDerWaalsContact C-N 3.32Å; K130-Y132 PolarHBondContact O-N 3.24Å; Y132-V134 VanDerWaalsContact C-N 3.29Å; Y132-V134 PolarHBondContact O-N 3.05Å; Y132-A135 PolarHBondContact O-N 3.04Å; Y132-L136 HydrophobicContact CD2-CB 3.77Å; Y132-L136 HydrophobicContact CD2-CD1 4.24Å; Y132-L136 HydrophobicContact CE2-CB 3.84Å; Y132-L136 PolarHBondContact O-N 3.32Å; Y132-K137 HydrophobicContact CD1-CB 3.86Å; Y132-K137 HydrophobicContact CD1-CD 4.33Å; Y132-K137 HydrophobicContact CD1-CG 4.4Å; Y132-K137 HydrophobicContact CE1-CB 3.55Å; Y132-K137 HydrophobicContact CE1-CD 4.09Å; Y132-K137 HydrophobicContact CE1-CG 3.82Å; Y132-K137 PolarHBondContact O-N 3.35Å; Y132-H140 AromaticContact CE2-CE1 3.79Å; Y132-H140 AromaticContact CE2-ND1 3.32Å; Y132-H140 VanDerWaalsContact CE2-ND1 3.32Å; Y132-H140 WeakPolarHBondContact CE2-ND1 3.49Å; Y132-H140 AromaticContact CZ-ND1 3.55Å; Y132-H140 WeakPolarHBondContact OH-CB 3.23Å; Y132-H140 PolarHBondContact OH-ND1 3.42Å; Y132-Q145 WeakPolarHBondContact OH-CG 3.33Å; Y132-F148 AromaticContact CD1-CD1 3.54Å; Y132-F148 HydrophobicContact CD1-CD1 3.54Å; Y132-F148 HydrophobicContact CD1-CD2 4.36Å; Y132-F148 AromaticContact CD1-CE1 3.42Å; Y132-F148 HydrophobicContact CD1-CE1 3.42Å; Y132-F148 VanDerWaalsContact CD1-CE1 3.42Å; Y132-F148 HydrophobicContact CD1-CE2 4.26Å; Y132-F148 HydrophobicContact CD1-CG 4.02Å; Y132-F148 AromaticContact CD1-CZ 3.8Å; Y132-F148 HydrophobicContact CD1-CZ 3.8Å; Y132-F148 HydrophobicContact CD2-CD1 4.18Å; Y132-F148 AromaticContact CD2-CD2 3.5Å; Y132-F148 HydrophobicContact CD2-CD2 3.5Å; Y132-F148 VanDerWaalsContact CD2-CD2 3.5Å; Y132-F148 HydrophobicContact CD2-CE1 4.23Å; Y132-F148 AromaticContact CD2-CE2 3.55Å; Y132-F148 HydrophobicContact CD2-CE2 3.55Å; Y132-F148 AromaticContact CD2-CG 3.83Å; Y132-F148 HydrophobicContact CD2-CG 3.83Å; Y132-F148 AromaticContact CD2-CZ 3.93Å; Y132-F148 HydrophobicContact CD2-CZ 3.93Å; Y132-F148 HydrophobicContact CE1-CB 4.4Å; Y132-F148 AromaticContact CE1-CD1 3.62Å; Y132-F148 HydrophobicContact CE1-CD1 3.62Å; Y132-F148 HydrophobicContact CE1-CE1 4.02Å; Y132-F148 AromaticContact CE1-CG 3.93Å; Y132-F148 HydrophobicContact CE1-CG 3.93Å; Y132-F148 HydrophobicContact CE2-CB 4.07Å; Y132-F148 HydrophobicContact CE2-CD1 4.25Å; Y132-F148 AromaticContact CE2-CD2 3.75Å; Y132-F148 HydrophobicContact CE2-CD2 3.75Å; Y132-F148 HydrophobicContact CE2-CE2 4.27Å; Y132-F148 AromaticContact CE2-CG 3.73Å; Y132-F148 HydrophobicContact CE2-CG 3.73Å; Y132-F148 AromaticContact CG-CD1 3.83Å; Y132-F148 HydrophobicContact CG-CD1 3.83Å; Y132-F148 AromaticContact CG-CD2 3.82Å; Y132-F148 HydrophobicContact CG-CD2 3.82Å; Y132-F148 AromaticContact CG-CE1 3.54Å; Y132-F148 HydrophobicContact CG-CE1 3.54Å; Y132-F148 AromaticContact CG-CE2 3.53Å; Y132-F148 HydrophobicContact CG-CE2 3.53Å; Y132-F148 AromaticContact CG-CG 3.96Å; Y132-F148 HydrophobicContact CG-CG 3.96Å; Y132-F148 AromaticContact CG-CZ 3.38Å; Y132-F148 HydrophobicContact CG-CZ 3.38Å; Y132-F148 AromaticContact CZ-CD1 3.98Å; Y132-F148 AromaticContact CZ-CG 3.78Å
133D98.4Very high97.4Very high68 Ų6852 Ų5236%0.36424%0.242SC..Hα-helixtrans-59.1-41.9179.7-78-25.2000111.3T129 K130 K137T129-D133 WeakPolarHBondContact O-CB 3.27Å; T129-D133 PolarHBondContact O-N 3.37Å; K130-D133 PolarHBondContact O-N 2.84Å; D133-K137 WeakPolarHBondContact OD1-CD 3.33Å; D133-K137 WeakPolarHBondContact OD1-CE 3.34Å; D133-K137 IonicContact OD1-NZ 2.69Å; D133-K137 PolarHBondContact OD1-NZ 3.47Å
134V98.3Very high97.4Very high73 Ų7352 Ų5244%0.44224%0.243SC..Hα-helixtrans-72.7-45.4179.6173.70000111.9V106 K130 Y132V106-V134 HydrophobicContact CG1-CG2 4.48Å; V106-V134 HydrophobicContact CG2-CB 4.4Å; V106-V134 HydrophobicContact CG2-CG1 3.98Å; K130-V134 WeakPolarHBondContact O-CG2 3.42Å; K130-V134 PolarHBondContact O-N 2.91Å; K130-V134 VanDerWaalsContact O-N 3.1Å; Y132-V134 VanDerWaalsContact C-N 3.29Å; Y132-V134 PolarHBondContact O-N 3.05Å
135A97.6Very high97.4Very high1 Ų154 Ų541%0.00825%0.253CS..Hα-helixtrans-97.8-34.6-163.800000115.1R99 R102 F103 A131 Y132 Y139R99-A135 WeakPolarHBondContact O-CB 3.49Å; R102-A135 HydrophobicContact CB-CB 3.97Å; R102-A135 HydrophobicContact CG-CB 3.85Å; F103-A135 HydrophobicContact CB-CB 3.82Å; A131-A135 WeakPolarHBondContact O-CB 3.33Å; A131-A135 PolarHBondContact O-N 2.92Å; Y132-A135 PolarHBondContact O-N 3.04Å; A135-Y139 WeakPolarHBondContact O-CE2 3.44Å
136L97.1Very high97.4Very high30 Ų3053.8 Ų53.816%0.15726%0.255CS..THydrogen-bonded Turntrans-127.9-38.5-163-71.3168.4000114.2R99 F103 Y132 R138 Y139R99-L136 HydrophobicContact CB-CD2 3.84Å; F103-L136 HydrophobicContact CB-CD1 4.1Å; F103-L136 HydrophobicContact CD2-CD1 4.02Å; F103-L136 HydrophobicContact CG-CD1 4.19Å; Y132-L136 HydrophobicContact CD2-CB 3.77Å; Y132-L136 HydrophobicContact CD2-CD1 4.24Å; Y132-L136 HydrophobicContact CE2-CB 3.84Å; Y132-L136 PolarHBondContact O-N 3.32Å; L136-R138 PolarHBondContact O-N 3.03Å; L136-Y139 PolarHBondContact O-N 3.29Å
137K98Very high97.3Very high81 Ų8155.4 Ų55.435%0.35226%0.261SS..G310 helixtrans-51-39.6-168.9-179.4170177.7-177.10114.7Y132 D133 Y139 H140 Q145Y132-K137 HydrophobicContact CD1-CB 3.86Å; Y132-K137 HydrophobicContact CD1-CD 4.33Å; Y132-K137 HydrophobicContact CD1-CG 4.4Å; Y132-K137 HydrophobicContact CE1-CB 3.55Å; Y132-K137 HydrophobicContact CE1-CD 4.09Å; Y132-K137 HydrophobicContact CE1-CG 3.82Å; Y132-K137 PolarHBondContact O-N 3.35Å; D133-K137 WeakPolarHBondContact OD1-CD 3.33Å; D133-K137 WeakPolarHBondContact OD1-CE 3.34Å; D133-K137 IonicContact OD1-NZ 2.69Å; D133-K137 PolarHBondContact OD1-NZ 3.47Å; K137-Y139 PolarHBondContact O-N 2.72Å; K137-H140 PolarHBondContact O-N 3.48Å; K137-Q145 PolarHBondContact O-NE2 3.05Å
138R97.8Very high97Very high146 Ų14657.2 Ų57.255%0.55127%0.269SS*.G310 helixtrans-63.7-25.2-178.975.7175.378178.3-1.1113.2L136 K208L136-R138 PolarHBondContact O-N 3.03Å; R138-K208 WeakPolarHBondContact O-CE 3.06Å; R138-K208 WeakPolarHBondContact O-CG 3.46Å
139Y97.3Very high96.9Very high8 Ų862.2 Ų62.23%0.03129%0.29CS..G310 helixtrans-97.23.1-179-45.5-69.8000112.8R99 A135 L136 K137 K208 V209R99-Y139 HydrophobicContact CG-CD2 4.26Å; R99-Y139 HydrophobicContact CG-CE2 3.86Å; R99-Y139 VanDerWaalsContact NH1-CD1 3.35Å; A135-Y139 WeakPolarHBondContact O-CE2 3.44Å; L136-Y139 PolarHBondContact O-N 3.29Å; K137-Y139 PolarHBondContact O-N 2.72Å; Y139-K208 CarbonylContact O-C 3.55Å; Y139-K208 WeakPolarHBondContact O-CA 3.18Å; Y139-V209 PolarHBondContact O-N 3.27Å
140H97.2Very high96.6Very high27 Ų2763.1 Ų63.113%0.12530%0.302CS..  trans-109.9130.7178.6-72.4176.3000110.2Y132 K137 V144 Q145 V209Y132-H140 AromaticContact CE2-CE1 3.79Å; Y132-H140 AromaticContact CE2-ND1 3.32Å; Y132-H140 VanDerWaalsContact CE2-ND1 3.32Å; Y132-H140 WeakPolarHBondContact CE2-ND1 3.49Å; Y132-H140 AromaticContact CZ-ND1 3.55Å; Y132-H140 WeakPolarHBondContact OH-CB 3.23Å; Y132-H140 PolarHBondContact OH-ND1 3.42Å; K137-H140 PolarHBondContact O-N 3.48Å; H140-V144 HydrophobicContact CB-CB 3.97Å; H140-V144 HydrophobicContact CB-CG1 3.97Å; H140-V144 WeakPolarHBondContact ND1-CG1 3.34Å; H140-Q145 HydrophobicContact CB-CG 3.96Å; H140-Q145 PolarHBondContact O-NE2 2.92Å; H140-V209 CarbonylContact C-O 3.4Å; H140-V209 WeakPolarHBondContact CA-O 3.42Å
141G97.9Very high96.2Very high19 Ų1961 Ų6120%0.19630%0.298CS..  trans-67.7173.1169.400000111.9F143 V144 Q145 V209G141-F143 VanDerWaalsContact C-N 3.26Å; G141-F143 PolarHBondContact O-N 2.77Å; G141-V144 PolarHBondContact O-N 3.16Å; G141-Q145 WeakPolarHBondContact O-CG 3.31Å; G141-Q145 PolarHBondContact O-N 2.97Å; G141-V209 PolarHBondContact N-O 3.1Å
142W97.3Very high95.9Very high195 Ų19562.2 Ų62.274%0.73931%0.305SS*.Hα-helixtrans-54.1-43.5-176.8177.488.4000112.4Q145 Q146W142-Q145 PolarHBondContact O-N 3.2Å; W142-Q146 HydrophobicContact CD2-CG 4.11Å; W142-Q146 HydrophobicContact CE3-CG 4.47Å; W142-Q146 HydrophobicContact CH2-CG 4.28Å; W142-Q146 HydrophobicContact CZ2-CG 3.9Å; W142-Q146 WeakPolarHBondContact O-CG 3.39Å; W142-Q146 PolarHBondContact O-N 2.97Å
143F97.1Very high95.6Very high138 Ų13869.8 Ų69.861%0.60534%0.335SS*.Hα-helixtrans-62.2-50.1-178-176.2-103.5000112.6G141 Q145 Q146 L147G141-F143 VanDerWaalsContact C-N 3.26Å; G141-F143 PolarHBondContact O-N 2.77Å; F143-Q145 VanDerWaalsContact C-N 3.31Å; F143-Q145 PolarHBondContact O-N 3.3Å; F143-Q146 PolarHBondContact O-N 3.2Å; F143-Q146 VanDerWaalsContact O-N 3.12Å; F143-L147 HydrophobicContact CD1-CD1 4.05Å; F143-L147 HydrophobicContact CE1-CD1 3.56Å; F143-L147 HydrophobicContact CE1-CG 4.18Å; F143-L147 HydrophobicContact CZ-CD1 4.14Å; F143-L147 HydrophobicContact CZ-CG 4.4Å; F143-L147 PolarHBondContact O-N 2.69Å
144V95.6Very high95.2Very high34 Ų3468.7 Ų68.721%0.20634%0.335CS..Hα-helixtrans-65-36.2179.1-176.80000111.3H140 G141 Q146 L147 F148 V209H140-V144 HydrophobicContact CB-CB 3.97Å; H140-V144 HydrophobicContact CB-CG1 3.97Å; H140-V144 WeakPolarHBondContact ND1-CG1 3.34Å; G141-V144 PolarHBondContact O-N 3.16Å; V144-Q146 VanDerWaalsContact C-N 3.31Å; V144-Q146 PolarHBondContact O-N 3.26Å; V144-L147 PolarHBondContact O-N 3.3Å; V144-F148 PolarHBondContact O-N 3.22Å; V144-V209 WeakPolarHBondContact CG2-O 3.48Å
145Q96.8Very high94.9Very high42 Ų4265.6 Ų65.620%0.19632%0.317CS..Hα-helixtrans-62.3-36.4173.4-69.3-176.135.100112.9Y132 K137 H140 G141 W142 F143 K149Y132-Q145 WeakPolarHBondContact OH-CG 3.33Å; K137-Q145 PolarHBondContact O-NE2 3.05Å; H140-Q145 HydrophobicContact CB-CG 3.96Å; H140-Q145 PolarHBondContact O-NE2 2.92Å; G141-Q145 WeakPolarHBondContact O-CG 3.31Å; G141-Q145 PolarHBondContact O-N 2.97Å; W142-Q145 PolarHBondContact O-N 3.2Å; F143-Q145 VanDerWaalsContact C-N 3.31Å; F143-Q145 PolarHBondContact O-N 3.3Å; Q145-K149 WeakPolarHBondContact O-CG 3.44Å; Q145-K149 PolarHBondContact O-N 3.47Å
146Q96.1Very high94.8Very high72 Ų7266.9 Ų66.934%0.33633%0.325SS..Hα-helixtrans-71.1-39.5176-66.7-59.4108.600111.8W142 F143 V144 F148 K149 A150W142-Q146 HydrophobicContact CD2-CG 4.11Å; W142-Q146 HydrophobicContact CE3-CG 4.47Å; W142-Q146 HydrophobicContact CH2-CG 4.28Å; W142-Q146 HydrophobicContact CZ2-CG 3.9Å; W142-Q146 WeakPolarHBondContact O-CG 3.39Å; W142-Q146 PolarHBondContact O-N 2.97Å; F143-Q146 PolarHBondContact O-N 3.2Å; F143-Q146 VanDerWaalsContact O-N 3.12Å; V144-Q146 VanDerWaalsContact C-N 3.31Å; V144-Q146 PolarHBondContact O-N 3.26Å; Q146-F148 VanDerWaalsContact C-N 3.33Å; Q146-F148 PolarHBondContact O-N 2.91Å; Q146-K149 PolarHBondContact O-N 2.85Å; Q146-A150 PolarHBondContact O-N 2.74Å; Q146-A150 VanDerWaalsContact O-N 3.09Å
147L93.4Very high94.7Very high97 Ų9771.3 Ų71.351%0.50834%0.341SS..Hα-helixtrans-59.3-43.2172.1-72-179.7000111.9F143 V144 K149 A150 A151F143-L147 HydrophobicContact CD1-CD1 4.05Å; F143-L147 HydrophobicContact CE1-CD1 3.56Å; F143-L147 HydrophobicContact CE1-CG 4.18Å; F143-L147 HydrophobicContact CZ-CD1 4.14Å; F143-L147 HydrophobicContact CZ-CG 4.4Å; F143-L147 PolarHBondContact O-N 2.69Å; V144-L147 PolarHBondContact O-N 3.3Å; L147-K149 PolarHBondContact O-N 2.88Å; L147-A150 PolarHBondContact O-N 3.18Å; L147-A151 WeakPolarHBondContact O-CB 3.37Å; L147-A151 PolarHBondContact O-N 3.36Å
148F93.1Very high94.5Very high40 Ų4069.2 Ų69.218%0.17533%0.331CS..Hα-helixtrans-58.1-46.9175.6171.1-95.9000112.1I128 Y132 V144 Q146 A150 A151 L152I128-F148 HydrophobicContact CG2-CE2 3.92Å; I128-F148 HydrophobicContact CG2-CZ 3.84Å; Y132-F148 AromaticContact CD1-CD1 3.54Å; Y132-F148 HydrophobicContact CD1-CD1 3.54Å; Y132-F148 HydrophobicContact CD1-CD2 4.36Å; Y132-F148 AromaticContact CD1-CE1 3.42Å; Y132-F148 HydrophobicContact CD1-CE1 3.42Å; Y132-F148 VanDerWaalsContact CD1-CE1 3.42Å; Y132-F148 HydrophobicContact CD1-CE2 4.26Å; Y132-F148 HydrophobicContact CD1-CG 4.02Å; Y132-F148 AromaticContact CD1-CZ 3.8Å; Y132-F148 HydrophobicContact CD1-CZ 3.8Å; Y132-F148 HydrophobicContact CD2-CD1 4.18Å; Y132-F148 AromaticContact CD2-CD2 3.5Å; Y132-F148 HydrophobicContact CD2-CD2 3.5Å; Y132-F148 VanDerWaalsContact CD2-CD2 3.5Å; Y132-F148 HydrophobicContact CD2-CE1 4.23Å; Y132-F148 AromaticContact CD2-CE2 3.55Å; Y132-F148 HydrophobicContact CD2-CE2 3.55Å; Y132-F148 AromaticContact CD2-CG 3.83Å; Y132-F148 HydrophobicContact CD2-CG 3.83Å; Y132-F148 AromaticContact CD2-CZ 3.93Å; Y132-F148 HydrophobicContact CD2-CZ 3.93Å; Y132-F148 HydrophobicContact CE1-CB 4.4Å; Y132-F148 AromaticContact CE1-CD1 3.62Å; Y132-F148 HydrophobicContact CE1-CD1 3.62Å; Y132-F148 HydrophobicContact CE1-CE1 4.02Å; Y132-F148 AromaticContact CE1-CG 3.93Å; Y132-F148 HydrophobicContact CE1-CG 3.93Å; Y132-F148 HydrophobicContact CE2-CB 4.07Å; Y132-F148 HydrophobicContact CE2-CD1 4.25Å; Y132-F148 AromaticContact CE2-CD2 3.75Å; Y132-F148 HydrophobicContact CE2-CD2 3.75Å; Y132-F148 HydrophobicContact CE2-CE2 4.27Å; Y132-F148 AromaticContact CE2-CG 3.73Å; Y132-F148 HydrophobicContact CE2-CG 3.73Å; Y132-F148 AromaticContact CG-CD1 3.83Å; Y132-F148 HydrophobicContact CG-CD1 3.83Å; Y132-F148 AromaticContact CG-CD2 3.82Å; Y132-F148 HydrophobicContact CG-CD2 3.82Å; Y132-F148 AromaticContact CG-CE1 3.54Å; Y132-F148 HydrophobicContact CG-CE1 3.54Å; Y132-F148 AromaticContact CG-CE2 3.53Å; Y132-F148 HydrophobicContact CG-CE2 3.53Å; Y132-F148 AromaticContact CG-CG 3.96Å; Y132-F148 HydrophobicContact CG-CG 3.96Å; Y132-F148 AromaticContact CG-CZ 3.38Å; Y132-F148 HydrophobicContact CG-CZ 3.38Å; Y132-F148 AromaticContact CZ-CD1 3.98Å; Y132-F148 AromaticContact CZ-CG 3.78Å; V144-F148 PolarHBondContact O-N 3.22Å; Q146-F148 VanDerWaalsContact C-N 3.33Å; Q146-F148 PolarHBondContact O-N 2.91Å; F148-A150 VanDerWaalsContact C-N 3.28Å; F148-A150 PolarHBondContact O-N 3.31Å; F148-A151 PolarHBondContact O-N 3.25Å; F148-L152 HydrophobicContact CZ-CD1 4.48Å; F148-L152 PolarHBondContact O-N 2.77Å
149K93.8Very high94.3Very high109 Ų10964.7 Ų64.747%0.47432%0.322SS..Hα-helixtrans-59.9-39.7177.9-71.2174.3-173.9168.60112Q145 Q146 L147 L152 Y153Q145-K149 WeakPolarHBondContact O-CG 3.44Å; Q145-K149 PolarHBondContact O-N 3.47Å; Q146-K149 PolarHBondContact O-N 2.85Å; L147-K149 PolarHBondContact O-N 2.88Å; K149-L152 WeakPolarHBondContact O-CB 3.25Å; K149-Y153 VanDerWaalsContact O-CD2 3.28Å; K149-Y153 WeakPolarHBondContact O-CD2 3.43Å
150A92.3Very high94.1Very high64 Ų6468.1 Ų68.153%0.52934%0.341SS..Hα-helixtrans-66.1-47.1176.100000111.4Q146 L147 F148 L152 Y153Q146-A150 PolarHBondContact O-N 2.74Å; Q146-A150 VanDerWaalsContact O-N 3.09Å; L147-A150 PolarHBondContact O-N 3.18Å; F148-A150 VanDerWaalsContact C-N 3.28Å; F148-A150 PolarHBondContact O-N 3.31Å; A150-L152 VanDerWaalsContact C-N 3.25Å; A150-L152 PolarHBondContact O-N 3.24Å; A150-Y153 PolarHBondContact O-N 3.31Å
151A90.2Very high93.9Very high29 Ų2966.8 Ų66.824%0.2434%0.335CS..Hα-helixtrans-61.9-31.4178.800000113I41 L147 F148 Y153 A154I41-A151 HydrophobicContact CG2-CB 4.18Å; L147-A151 WeakPolarHBondContact O-CB 3.37Å; L147-A151 PolarHBondContact O-N 3.36Å; F148-A151 PolarHBondContact O-N 3.25Å; A151-Y153 PolarHBondContact O-N 3.3Å; A151-Y153 VanDerWaalsContact O-N 3.16Å; A151-A154 PolarHBondContact O-N 3.43Å
152L92.1Very high93.6Very high26 Ų2666.4 Ų66.414%0.13633%0.328CS..Hα-helixtrans-57.1-30.2178.8-172.564.2000113.2R125 I128 T129 F148 K149 A150 A154 A155R125-L152 HydrophobicContact CB-CD1 4.08Å; R125-L152 HydrophobicContact CB-CD2 4.33Å; R125-L152 HydrophobicContact CB-CG 4.15Å; R125-L152 HydrophobicContact CG-CD1 4.14Å; R125-L152 HydrophobicContact CG-CG 4.04Å; R125-L152 PolarHBondContact NE-O 3.26Å; I128-L152 HydrophobicContact CB-CD1 3.8Å; I128-L152 HydrophobicContact CD1-CD1 4.41Å; I128-L152 HydrophobicContact CG2-CD1 3.49Å; I128-L152 VanDerWaalsContact CG2-CD1 3.49Å; T129-L152 WeakPolarHBondContact OG1-CD2 3.45Å; F148-L152 HydrophobicContact CZ-CD1 4.48Å; F148-L152 PolarHBondContact O-N 2.77Å; K149-L152 WeakPolarHBondContact O-CB 3.25Å; A150-L152 VanDerWaalsContact C-N 3.25Å; A150-L152 PolarHBondContact O-N 3.24Å; L152-A154 PolarHBondContact O-N 3.42Å; L152-A155 WeakPolarHBondContact O-CB 3.39Å; L152-A155 PolarHBondContact O-N 3.49Å
153Y91.3Very high93.3Very high167 Ų16763 Ų6366%0.65532%0.319SS*.THydrogen-bonded Turntrans-66.3-25.2178.2-75.4-82.6000113.1R125 K149 A150 A151R125-Y153 PolarHBondContact NH2-O 2.8Å; K149-Y153 VanDerWaalsContact O-CD2 3.28Å; K149-Y153 WeakPolarHBondContact O-CD2 3.43Å; A150-Y153 PolarHBondContact O-N 3.31Å; A151-Y153 PolarHBondContact O-N 3.3Å; A151-Y153 VanDerWaalsContact O-N 3.16Å
154A90.1Very high92.9Very high44 Ų4458.1 Ų58.136%0.36430%0.304SS..THydrogen-bonded Turntrans-933.4179.100000114.2I41 A151 L152I41-A154 HydrophobicContact CD1-CB 3.14Å; I41-A154 HydrophobicContact CG1-CB 4.43Å; I41-A154 HydrophobicContact CG2-CB 4.35Å; A151-A154 PolarHBondContact O-N 3.43Å; L152-A154 PolarHBondContact O-N 3.42Å
155A92.1Very high92.6Very high9 Ų956.5 Ų56.57%0.07429%0.294CS..PPolyproline II helixtrans-57.7138.4169.900000110.2I124 I128 L152I124-A155 HydrophobicContact CG1-CB 4.28Å; I128-A155 HydrophobicContact CD1-CB 3.54Å; L152-A155 WeakPolarHBondContact O-CB 3.39Å; L152-A155 PolarHBondContact O-N 3.49Å
156P93.6Very high92.2Very high27 Ų2754.6 Ų54.618%0.17529%0.285CS..PPolyproline II helixtrans-72172.9-175.932.4-38.8000110.7L37 I124 D160 L161L37-P156 HydrophobicContact CD2-CG 4.32Å; L37-P156 VanDerWaalsContact O-CD 3.23Å; L37-P156 WeakPolarHBondContact O-CD 3.45Å; I124-P156 HydrophobicContact CD1-CG 3.95Å; I124-P156 WeakPolarHBondContact CG1-O 3.48Å; P156-D160 HydrophobicContact CB-CB 4.28Å; P156-L161 HydrophobicContact CG-CB 4.3Å
157Y95Very high91.7Very high123 Ų12356.8 Ų56.848%0.48229%0.294SS..BIsolated β-bridgetrans-67.2153.3163.5-66.8-67.9000111.1N122 L123 S159 D160 L161N122-Y157 HydrophobicContact CB-CD1 4.14Å; N122-Y157 CarbonylContact O-C 3.59Å; N122-Y157 VanDerWaalsContact O-CA 3.31Å; N122-Y157 WeakPolarHBondContact O-CA 3.26Å; L123-Y157 HydrophobicContact CD2-CD1 3.77Å; L123-Y157 HydrophobicContact CD2-CE1 3.61Å; Y157-S159 VanDerWaalsContact C-N 3.28Å; Y157-S159 PolarHBondContact O-N 3.43Å; Y157-D160 WeakPolarHBondContact CD2-OD2 3.36Å; Y157-D160 PolarHBondContact O-N 3.36Å; Y157-D160 VanDerWaalsContact O-N 3.12Å; Y157-L161 PolarHBondContact O-N 3.47Å
158K95Very high91.1Very high37 Ų3754.3 Ų54.316%0.16129%0.292CS..Hα-helixtrans-56.2-45.1175.3-169.8-174.664.5164.50110.4L111 N122 I124 D160 L161 L162 E173L111-K158 HydrophobicContact CD2-CD 4.5Å; L111-K158 HydrophobicContact CD2-CG 4.41Å; N122-K158 PolarHBondContact O-N 3.25Å; N122-K158 PolarHBondContact OD1-N 3.25Å; I124-K158 HydrophobicContact CG2-CB 3.56Å; I124-K158 HydrophobicContact CG2-CG 3.86Å; K158-D160 VanDerWaalsContact C-N 3.3Å; K158-D160 PolarHBondContact O-N 3.37Å; K158-L161 PolarHBondContact O-N 2.96Å; K158-L162 HydrophobicContact CG-CD1 4.2Å; K158-L162 HydrophobicContact CG-CG 4.44Å; K158-L162 WeakPolarHBondContact O-CB 3.31Å; K158-L162 VanDerWaalsContact O-CG 3.27Å; K158-L162 WeakPolarHBondContact O-CG 3.5Å; K158-L162 PolarHBondContact O-N 3.36Å; K158-E173 WeakPolarHBondContact CE-OE1 3.37Å; K158-E173 WeakPolarHBondContact CE-OE2 3.41Å; K158-E173 VanDerWaalsContact NZ-CD 3.29Å; K158-E173 IonicContact NZ-OE1 2.62Å; K158-E173 PolarHBondContact NZ-OE1 3.41Å; K158-E173 IonicContact NZ-OE2 2.84Å; K158-E173 PolarHBondContact NZ-OE2 2.92Å; K158-E173 VanDerWaalsContact NZ-OE2 3.17Å
159S93.5Very high90.7Very high52 Ų5259.4 Ų59.436%0.36431%0.31SS..Hα-helixtrans-55.3-44.1175.653.50000112.8N122 Y157 L162 K163N122-S159 PolarHBondContact ND2-OG 2.94Å; N122-S159 PolarHBondContact OD1-N 2.85Å; N122-S159 VanDerWaalsContact OD1-N 3.12Å; N122-S159 PolarHBondContact OD1-OG 3.13Å; Y157-S159 VanDerWaalsContact C-N 3.28Å; Y157-S159 PolarHBondContact O-N 3.43Å; S159-L162 PolarHBondContact O-N 2.91Å; S159-K163 WeakPolarHBondContact O-CB 3.46Å; S159-K163 PolarHBondContact O-N 2.92Å
160D92.8Very high90Very high79 Ų7962.2 Ų62.242%0.42233%0.33SS..Hα-helixtrans-70.8-40.6-178.1-61.4-29.7000111.4P156 Y157 K158 K163 A164P156-D160 HydrophobicContact CB-CB 4.28Å; Y157-D160 WeakPolarHBondContact CD2-OD2 3.36Å; Y157-D160 PolarHBondContact O-N 3.36Å; Y157-D160 VanDerWaalsContact O-N 3.12Å; K158-D160 VanDerWaalsContact C-N 3.3Å; K158-D160 PolarHBondContact O-N 3.37Å; D160-K163 PolarHBondContact O-N 3.49Å; D160-A164 VanDerWaalsContact O-CB 3.31Å; D160-A164 WeakPolarHBondContact O-CB 3.33Å; D160-A164 PolarHBondContact O-N 2.94Å
161L92.6Very high89.5Confident0 Ų060.9 Ų60.90%032%0.315CS..Hα-helixtrans-58.5-49.9172.5172.662.9000111.2C36 L37 F107 L111 I124 P156 Y157 K158 K163 A164 L165C36-L161 HydrophobicContact CB-CD1 3.79Å; L37-L161 HydrophobicContact CD2-CD1 3.98Å; L37-L161 HydrophobicContact CD2-CD2 4.32Å; F107-L161 HydrophobicContact CE1-CD2 3.79Å; F107-L161 HydrophobicContact CZ-CD2 3.54Å; L111-L161 HydrophobicContact CD1-CD2 3.91Å; I124-L161 HydrophobicContact CD1-CD2 3.85Å; P156-L161 HydrophobicContact CG-CB 4.3Å; Y157-L161 PolarHBondContact O-N 3.47Å; K158-L161 PolarHBondContact O-N 2.96Å; L161-K163 VanDerWaalsContact C-N 3.29Å; L161-K163 PolarHBondContact O-N 3.49Å; L161-A164 PolarHBondContact O-N 3.41Å; L161-L165 HydrophobicContact CD1-CD1 4.05Å; L161-L165 HydrophobicContact CD1-CG 4.11Å; L161-L165 HydrophobicContact CG-CD1 4.04Å; L161-L165 WeakPolarHBondContact O-CB 3.34Å; L161-L165 VanDerWaalsContact O-CG 3.31Å; L161-L165 WeakPolarHBondContact O-CG 3.5Å; L161-L165 PolarHBondContact O-N 3.1Å
162L91.7Very high89.6Confident10 Ų1067.1 Ų67.15%0.05234%0.337CS..Hα-helixtrans-63.2-37.1-179.3-68.2179.5000111.8K158 S159 S166 E173 C176 L177 I180K158-L162 HydrophobicContact CG-CD1 4.2Å; K158-L162 HydrophobicContact CG-CG 4.44Å; K158-L162 WeakPolarHBondContact O-CB 3.31Å; K158-L162 VanDerWaalsContact O-CG 3.27Å; K158-L162 WeakPolarHBondContact O-CG 3.5Å; K158-L162 PolarHBondContact O-N 3.36Å; S159-L162 PolarHBondContact O-N 2.91Å; L162-S166 WeakPolarHBondContact O-CB 3.21Å; L162-S166 PolarHBondContact O-N 3.39Å; L162-S166 PolarHBondContact O-OG 2.91Å; L162-E173 HydrophobicContact CD1-CB 4.15Å; L162-E173 HydrophobicContact CD1-CG 3.62Å; L162-C176 HydrophobicContact CD2-CB 4.19Å; L162-C176 PolarHBondContact O-SG 2.62Å; L162-C176 VanDerWaalsContact O-SG 3.41Å; L162-L177 HydrophobicContact CD2-CD2 4.33Å; L162-I180 HydrophobicContact CD2-CD1 4.15Å
163K90.9Very high89.5Confident124 Ų12469.1 Ų69.154%0.53935%0.346SS..Hα-helixtrans-66.4-43.6173.3-172.2176.7-176.7177.30112S159 D160 L161 S166 K167 G168S159-K163 WeakPolarHBondContact O-CB 3.46Å; S159-K163 PolarHBondContact O-N 2.92Å; D160-K163 PolarHBondContact O-N 3.49Å; L161-K163 VanDerWaalsContact C-N 3.29Å; L161-K163 PolarHBondContact O-N 3.49Å; K163-S166 CarbonylContact O-C 3.11Å; K163-S166 WeakPolarHBondContact O-CA 3.39Å; K163-S166 WeakPolarHBondContact O-CB 2.89Å; K163-S166 PolarHBondContact O-N 3.19Å; K163-K167 PolarHBondContact O-N 3.25Å; K163-G168 PolarHBondContact O-N 2.78Å
164A90.2Very high89.6Confident36 Ų3667.4 Ų67.430%0.29834%0.344SS..Hα-helixtrans-62.1-45.8177.200000111.6C36 D160 L161 S166 K167C36-A164 HydrophobicContact CB-CB 3.75Å; D160-A164 VanDerWaalsContact O-CB 3.31Å; D160-A164 WeakPolarHBondContact O-CB 3.33Å; D160-A164 PolarHBondContact O-N 2.94Å; L161-A164 PolarHBondContact O-N 3.41Å; A164-S166 PolarHBondContact O-N 2.91Å; A164-S166 VanDerWaalsContact O-N 3.09Å; A164-K167 PolarHBondContact O-N 3.39Å
165L88.3Confident89.7Confident0 Ų069.7 Ų69.70%035%0.347CS..Hα-helixtrans-59.3-24.5173.1-70.2171.7000112.4M1 A2 L4 F33 L161 K167 I180M1-L165 CarbonylContact C-O 3.51Å; M1-L165 WeakPolarHBondContact CA-O 3.36Å; M1-L165 HydrophobicContact CE-CB 3.51Å; M1-L165 HydrophobicContact CE-CD1 3.81Å; M1-L165 HydrophobicContact CE-CG 4.26Å; M1-L165 PolarHBondContact N-O 3.41Å; M1-L165 HydrophobicContact SD-CB 3.67Å; M1-L165 HydrophobicContact SD-CD1 4.09Å; M1-L165 HydrophobicContact SD-CD2 4.38Å; M1-L165 HydrophobicContact SD-CG 4.27Å; A2-L165 PolarHBondContact N-O 3.11Å; L4-L165 HydrophobicContact CD1-CD2 4.45Å; L4-L165 HydrophobicContact CG-CD2 4.5Å; F33-L165 HydrophobicContact CD2-CD2 3.84Å; F33-L165 HydrophobicContact CE2-CD2 3.96Å; L161-L165 HydrophobicContact CD1-CD1 4.05Å; L161-L165 HydrophobicContact CD1-CG 4.11Å; L161-L165 HydrophobicContact CG-CD1 4.04Å; L161-L165 WeakPolarHBondContact O-CB 3.34Å; L161-L165 VanDerWaalsContact O-CG 3.31Å; L161-L165 WeakPolarHBondContact O-CG 3.5Å; L161-L165 PolarHBondContact O-N 3.1Å; L165-K167 VanDerWaalsContact C-N 3.33Å; L165-I180 HydrophobicContact CD1-CD1 4.23Å
166S87.4Confident89.7Confident1 Ų169.3 Ų69.31%0.00734%0.344CS..THydrogen-bonded Turntrans-87.110.2173.6-64.70000116M1 L162 K163 A164 G168 R169M1-S166 PolarHBondContact N-OG 3.31Å; L162-S166 WeakPolarHBondContact O-CB 3.21Å; L162-S166 PolarHBondContact O-N 3.39Å; L162-S166 PolarHBondContact O-OG 2.91Å; K163-S166 CarbonylContact O-C 3.11Å; K163-S166 WeakPolarHBondContact O-CA 3.39Å; K163-S166 WeakPolarHBondContact O-CB 2.89Å; K163-S166 PolarHBondContact O-N 3.19Å; A164-S166 PolarHBondContact O-N 2.91Å; A164-S166 VanDerWaalsContact O-N 3.09Å; S166-G168 PolarHBondContact O-N 2.82Å; S166-R169 WeakPolarHBondContact CB-O 3.31Å; S166-R169 WeakPolarHBondContact O-CB 3.45Å; S166-R169 PolarHBondContact O-N 3.45Å; S166-R169 VanDerWaalsContact O-N 3.11Å; S166-R169 PolarHBondContact O-NE 2.98Å
167K85.9Confident89.7Confident118 Ų11868.8 Ų68.851%0.51334%0.339SS..THydrogen-bonded Turntrans52.239.1-177.4-61.7-177.4-179.3170.20110A2 E6 K163 A164 L165 R169A2-K167 HydrophobicContact CB-CD 3.68Å; A2-K167 VanDerWaalsContact CB-CE 3.48Å; A2-K167 HydrophobicContact CB-CG 4.19Å; E6-K167 VanDerWaalsContact CD-NZ 3.33Å; E6-K167 IonicContact OE1-NZ 2.73Å; E6-K167 PolarHBondContact OE1-NZ 3.03Å; E6-K167 VanDerWaalsContact OE1-NZ 3.07Å; E6-K167 IonicContact OE2-NZ 2.62Å; E6-K167 PolarHBondContact OE2-NZ 3.4Å; K163-K167 PolarHBondContact O-N 3.25Å; A164-K167 PolarHBondContact O-N 3.39Å; L165-K167 VanDerWaalsContact C-N 3.33Å; K167-R169 VanDerWaalsContact C-N 3.27Å; K167-R169 PolarHBondContact O-N 2.88Å
168G82.3Confident89.6Confident46 Ų4666.6 Ų66.647%0.47433%0.334SS..THydrogen-bonded Turntrans80.3-6.4-179.900000116K163 S166K163-G168 PolarHBondContact O-N 2.78Å; S166-G168 PolarHBondContact O-N 2.82Å
169R82.8Confident89.5Confident146 Ų14667.7 Ų67.755%0.55134%0.338SS*.  trans-67.8140.4176.6-67.1-176.2-76.1-175.3-8.5111S166 K167 V171S166-R169 WeakPolarHBondContact CB-O 3.31Å; S166-R169 WeakPolarHBondContact O-CB 3.45Å; S166-R169 PolarHBondContact O-N 3.45Å; S166-R169 VanDerWaalsContact O-N 3.11Å; S166-R169 PolarHBondContact O-NE 2.98Å; K167-R169 VanDerWaalsContact C-N 3.27Å; K167-R169 PolarHBondContact O-N 2.88Å; R169-V171 HydrophobicContact CB-CG2 4.02Å; R169-V171 PolarHBondContact O-N 3.46Å
170D80.8Confident89.6Confident169 Ų16965.2 Ų65.290%0.90432%0.321SS*.  trans-74.6109.8171.3-163.516.5000109
171V81.9Confident89.7Confident35 Ų3566.4 Ų66.421%0.21232%0.32CS..  trans-134.4132.5-175.9-179.30000106.5R169 E173 E175R169-V171 HydrophobicContact CB-CG2 4.02Å; R169-V171 PolarHBondContact O-N 3.46Å; V171-E173 PolarHBondContact O-N 3.28Å; V171-E175 HydrophobicContact CG1-CB 3.91Å; V171-E175 HydrophobicContact CG1-CG 4.09Å
172K91Very high89.8Confident161 Ų16171.4 Ų71.470%0.734%0.341SS*.  trans-55.8139.9177.4-64.8-173.4179.7-177.70110.2E174 E175 C176K172-E174 PolarHBondContact O-N 3.32Å; K172-E175 PolarHBondContact O-N 3.27Å; K172-E175 VanDerWaalsContact O-N 3.08Å; K172-C176 PolarHBondContact O-N 3.15Å
173E91.4Very high90Very high68 Ų6871.1 Ų71.132%0.31834%0.34SS..Hα-helixtrans-52.5-43.8-179.7169.9166.9159.100111.1K158 L162 V171 E175 C176 L177K158-E173 WeakPolarHBondContact CE-OE1 3.37Å; K158-E173 WeakPolarHBondContact CE-OE2 3.41Å; K158-E173 VanDerWaalsContact NZ-CD 3.29Å; K158-E173 IonicContact NZ-OE1 2.62Å; K158-E173 PolarHBondContact NZ-OE1 3.41Å; K158-E173 IonicContact NZ-OE2 2.84Å; K158-E173 PolarHBondContact NZ-OE2 2.92Å; K158-E173 VanDerWaalsContact NZ-OE2 3.17Å; L162-E173 HydrophobicContact CD1-CB 4.15Å; L162-E173 HydrophobicContact CD1-CG 3.62Å; V171-E173 PolarHBondContact O-N 3.28Å; E173-E175 VanDerWaalsContact C-N 3.34Å; E173-E175 PolarHBondContact O-N 3.27Å; E173-C176 CarbonylContact O-C 3.29Å; E173-C176 WeakPolarHBondContact O-CA 3.4Å; E173-C176 WeakPolarHBondContact O-CB 3.19Å; E173-C176 PolarHBondContact O-N 3Å; E173-C176 VanDerWaalsContact O-N 3.08Å; E173-L177 HydrophobicContact CG-CD1 3.84Å; E173-L177 HydrophobicContact CG-CG 4.13Å; E173-L177 WeakPolarHBondContact O-CG 3.1Å; E173-L177 PolarHBondContact O-N 3.41Å
174E92.9Very high90.3Very high130 Ų13065.5 Ų65.561%0.60732%0.316SS*.Hα-helixtrans-61.2-40.6-179-65.372-157.900112.3K172 C176 L177 E178K172-E174 PolarHBondContact O-N 3.32Å; E174-C176 VanDerWaalsContact C-N 3.32Å; E174-L177 PolarHBondContact O-N 3.31Å; E174-E178 WeakPolarHBondContact O-CB 3.37Å; E174-E178 PolarHBondContact O-N 2.98Å
175E91.8Very high90.6Very high93 Ų9369.2 Ų69.244%0.43533%0.329SS..Hα-helixtrans-68.8-35.9176.7-170.5-167.7150.200111.3V171 K172 E173 K179V171-E175 HydrophobicContact CG1-CB 3.91Å; V171-E175 HydrophobicContact CG1-CG 4.09Å; K172-E175 PolarHBondContact O-N 3.27Å; K172-E175 VanDerWaalsContact O-N 3.08Å; E173-E175 VanDerWaalsContact C-N 3.34Å; E173-E175 PolarHBondContact O-N 3.27Å; E175-K179 WeakPolarHBondContact O-CG 3.42Å; E175-K179 PolarHBondContact O-N 3.47Å; E175-K179 WeakPolarHBondContact OE1-CE 3.31Å; E175-K179 IonicContact OE1-NZ 2.87Å; E175-K179 PolarHBondContact OE1-NZ 3.06Å
176C91.6Very high91.1Very high0 Ų071.2 Ų71.20%034%0.34CS..Hα-helixtrans-60.6-53.5174.2-141.30000110.4M1 L162 K172 E173 E174 E178 K179 I180M1-C176 HydrophobicContact CE-CB 4.07Å; M1-C176 WeakPolarHBondContact CE-SG 3.36Å; L162-C176 HydrophobicContact CD2-CB 4.19Å; L162-C176 PolarHBondContact O-SG 2.62Å; L162-C176 VanDerWaalsContact O-SG 3.41Å; K172-C176 PolarHBondContact O-N 3.15Å; E173-C176 CarbonylContact O-C 3.29Å; E173-C176 WeakPolarHBondContact O-CA 3.4Å; E173-C176 WeakPolarHBondContact O-CB 3.19Å; E173-C176 PolarHBondContact O-N 3Å; E173-C176 VanDerWaalsContact O-N 3.08Å; E174-C176 VanDerWaalsContact C-N 3.32Å; C176-E178 PolarHBondContact O-N 3.25Å; C176-K179 PolarHBondContact O-N 3.23Å; C176-I180 WeakPolarHBondContact O-CG1 3.31Å; C176-I180 PolarHBondContact O-N 2.73Å; C176-I180 VanDerWaalsContact O-N 3.11Å
177L94.1Very high91.5Very high17 Ų1771.2 Ų71.29%0.08934%0.34CS..Hα-helixtrans-63.6-38.4179.5-66.7177.8000112L111 V112 L162 E173 E174 K179 I180 R181L111-L177 HydrophobicContact CB-CD2 4.41Å; V112-L177 HydrophobicContact CG1-CB 4.44Å; V112-L177 HydrophobicContact CG1-CD2 4.23Å; L162-L177 HydrophobicContact CD2-CD2 4.33Å; E173-L177 HydrophobicContact CG-CD1 3.84Å; E173-L177 HydrophobicContact CG-CG 4.13Å; E173-L177 WeakPolarHBondContact O-CG 3.1Å; E173-L177 PolarHBondContact O-N 3.41Å; E174-L177 PolarHBondContact O-N 3.31Å; L177-K179 VanDerWaalsContact C-N 3.32Å; L177-K179 PolarHBondContact O-N 3.49Å; L177-I180 HydrophobicContact CD2-CD1 4.27Å; L177-I180 WeakPolarHBondContact O-CB 3.32Å; L177-I180 PolarHBondContact O-N 3.03Å; L177-I180 VanDerWaalsContact O-N 3.13Å; L177-R181 WeakPolarHBondContact O-CG 3.49Å; L177-R181 PolarHBondContact O-N 3.45Å
178E93.7Very high92.1Very high77 Ų7766.5 Ų66.536%0.3632%0.321SS..Hα-helixtrans-63.1-38.8177.4-175.953.5-150.500112.4E174 C176 R181 K182E174-E178 WeakPolarHBondContact O-CB 3.37Å; E174-E178 PolarHBondContact O-N 2.98Å; C176-E178 PolarHBondContact O-N 3.25Å; E178-R181 PolarHBondContact O-N 2.95Å; E178-R181 IonicContact OE2-NH1 2.7Å; E178-R181 PolarHBondContact OE2-NH1 3.22Å; E178-R181 VanDerWaalsContact OE2-NH1 3.07Å; E178-K182 WeakPolarHBondContact O-CG 3.37Å; E178-K182 PolarHBondContact O-N 3.44Å; E178-K182 WeakPolarHBondContact OE1-CE 3.46Å
179K92.7Very high92.9Very high60 Ų6066.1 Ų66.126%0.26131%0.314SS..Hα-helixtrans-68.7-34.9173.8-71.7174.9-169.3168.40111.9M1 M5 E175 C176 L177 K182 F183M1-K179 HydrophobicContact CB-CB 3.76Å; M1-K179 HydrophobicContact CB-CD 3.55Å; M1-K179 HydrophobicContact CB-CG 4.29Å; M1-K179 HydrophobicContact CG-CB 3.43Å; M1-K179 VanDerWaalsContact CG-CB 3.43Å; M1-K179 HydrophobicContact CG-CD 4.23Å; M1-K179 HydrophobicContact CG-CG 4.46Å; M5-K179 HydrophobicContact CG-CB 3.92Å; M5-K179 HydrophobicContact CG-CD 4.28Å; M5-K179 HydrophobicContact CG-CG 4.15Å; M5-K179 HydrophobicContact SD-CB 4.03Å; M5-K179 HydrophobicContact SD-CG 4.42Å; M5-K179 VanDerWaalsContact SD-O 3.41Å; E175-K179 WeakPolarHBondContact O-CG 3.42Å; E175-K179 PolarHBondContact O-N 3.47Å; E175-K179 WeakPolarHBondContact OE1-CE 3.31Å; E175-K179 IonicContact OE1-NZ 2.87Å; E175-K179 PolarHBondContact OE1-NZ 3.06Å; C176-K179 PolarHBondContact O-N 3.23Å; L177-K179 VanDerWaalsContact C-N 3.32Å; L177-K179 PolarHBondContact O-N 3.49Å; K179-K182 PolarHBondContact O-N 2.98Å; K179-F183 PolarHBondContact O-N 3.42Å
180I94.2Very high93.6Very high0 Ų059.3 Ų59.30%029%0.289CS..Hα-helixtrans-63-45.2171.9-65.3167.7000110.4M1 L4 L108 V112 L162 L165 C176 L177 K182 F183 L184M1-I180 HydrophobicContact CE-CD1 3.81Å; M1-I180 HydrophobicContact CE-CG1 3.75Å; M1-I180 HydrophobicContact CG-CG1 4.49Å; M1-I180 HydrophobicContact SD-CD1 4.39Å; M1-I180 HydrophobicContact SD-CG1 3.8Å; L4-I180 HydrophobicContact CD1-CG1 4.09Å; L108-I180 HydrophobicContact CB-CG2 3.82Å; L108-I180 HydrophobicContact CD1-CG2 4.33Å; L108-I180 HydrophobicContact CD2-CD1 4.39Å; L108-I180 HydrophobicContact CD2-CG2 4.05Å; L108-I180 HydrophobicContact CG-CG2 4.29Å; V112-I180 HydrophobicContact CG1-CB 3.77Å; V112-I180 HydrophobicContact CG1-CG2 3.49Å; V112-I180 VanDerWaalsContact CG1-CG2 3.49Å; L162-I180 HydrophobicContact CD2-CD1 4.15Å; L165-I180 HydrophobicContact CD1-CD1 4.23Å; C176-I180 WeakPolarHBondContact O-CG1 3.31Å; C176-I180 PolarHBondContact O-N 2.73Å; C176-I180 VanDerWaalsContact O-N 3.11Å; L177-I180 HydrophobicContact CD2-CD1 4.27Å; L177-I180 WeakPolarHBondContact O-CB 3.32Å; L177-I180 PolarHBondContact O-N 3.03Å; L177-I180 VanDerWaalsContact O-N 3.13Å; I180-K182 VanDerWaalsContact C-N 3.31Å; I180-K182 PolarHBondContact O-N 3.42Å; I180-F183 WeakPolarHBondContact O-CB 3.36Å; I180-F183 PolarHBondContact O-N 2.87Å; I180-L184 HydrophobicContact CG2-CD1 3.88Å; I180-L184 HydrophobicContact CG2-CG 4.24Å; I180-L184 WeakPolarHBondContact O-CB 3.34Å; I180-L184 WeakPolarHBondContact O-CG 3.5Å; I180-L184 PolarHBondContact O-N 3.2Å
181R95.8Very high94.5Very high104 Ų10451.3 Ų51.339%0.39225%0.246SC..Hα-helixtrans-55.6-46.2175.4-70.8-175-169113.56111.7V112 L177 E178 F183 L184 I185V112-R181 HydrophobicContact CB-CG 3.72Å; V112-R181 HydrophobicContact CG1-CG 3.75Å; V112-R181 HydrophobicContact CG2-CG 4.07Å; V112-R181 PolarHBondContact O-NH2 2.99Å; V112-R181 VanDerWaalsContact O-NH2 3.07Å; L177-R181 WeakPolarHBondContact O-CG 3.49Å; L177-R181 PolarHBondContact O-N 3.45Å; E178-R181 PolarHBondContact O-N 2.95Å; E178-R181 IonicContact OE2-NH1 2.7Å; E178-R181 PolarHBondContact OE2-NH1 3.22Å; E178-R181 VanDerWaalsContact OE2-NH1 3.07Å; R181-F183 PolarHBondContact O-N 2.69Å; R181-L184 WeakPolarHBondContact O-CB 3.4Å; R181-L184 PolarHBondContact O-N 3.46Å; R181-I185 PolarHBondContact O-N 2.63Å
182K95.4Very high95.3Very high104 Ų10452.3 Ų52.345%0.45225%0.25SS..Hα-helixtrans-61.6-43.3177.6-71177.2-176.6-1780112.7M5 E178 K179 I180 L184 I185M5-K182 HydrophobicContact CE-CB 4.38Å; M5-K182 HydrophobicContact SD-CB 4.29Å; E178-K182 WeakPolarHBondContact O-CG 3.37Å; E178-K182 PolarHBondContact O-N 3.44Å; E178-K182 WeakPolarHBondContact OE1-CE 3.46Å; K179-K182 PolarHBondContact O-N 2.98Å; I180-K182 VanDerWaalsContact C-N 3.31Å; I180-K182 PolarHBondContact O-N 3.42Å; K182-L184 VanDerWaalsContact C-N 3.33Å; K182-L184 PolarHBondContact O-N 3.05Å; K182-I185 PolarHBondContact O-N 2.66Å
183F95.3Very high95.6Very high5 Ų545 Ų452%0.02222%0.22CC..Hα-helixtrans-60.2-43174.2169.4-98.3000111.9L4 F9 L30 L108 K179 I180 R181 I185 F187L4-F183 HydrophobicContact CB-CB 4.24Å; L4-F183 HydrophobicContact CB-CD2 4.03Å; L4-F183 HydrophobicContact CB-CG 4.02Å; L4-F183 HydrophobicContact CD1-CD1 4.25Å; L4-F183 HydrophobicContact CD1-CG 4.45Å; L4-F183 HydrophobicContact CD2-CD1 4.42Å; L4-F183 HydrophobicContact CD2-CD2 4.49Å; L4-F183 HydrophobicContact CD2-CE1 4.24Å; L4-F183 HydrophobicContact CD2-CE2 4.3Å; L4-F183 HydrophobicContact CD2-CZ 4.18Å; L4-F183 VanDerWaalsContact O-CD2 3.31Å; L4-F183 WeakPolarHBondContact O-CD2 3.47Å; F9-F183 AromaticContact CD2-CE2 3.94Å; F9-F183 HydrophobicContact CD2-CE2 3.94Å; F9-F183 HydrophobicContact CD2-CZ 4.26Å; F9-F183 AromaticContact CE2-CE2 3.97Å; F9-F183 HydrophobicContact CE2-CE2 3.97Å; F9-F183 HydrophobicContact CE2-CZ 4Å; L30-F183 HydrophobicContact CD2-CE2 4.46Å; L30-F183 HydrophobicContact CD2-CZ 3.81Å; L108-F183 HydrophobicContact CD1-CD1 4.07Å; L108-F183 HydrophobicContact CD1-CE1 3.94Å; K179-F183 PolarHBondContact O-N 3.42Å; I180-F183 WeakPolarHBondContact O-CB 3.36Å; I180-F183 PolarHBondContact O-N 2.87Å; R181-F183 PolarHBondContact O-N 2.69Å; F183-I185 PolarHBondContact O-N 2.7Å; F183-F187 HydrophobicContact CD1-CB 4.29Å; F183-F187 HydrophobicContact CD1-CD1 4.4Å; F183-F187 HydrophobicContact CD1-CG 4.48Å; F183-F187 HydrophobicContact CE1-CB 3.87Å; F183-F187 AromaticContact CE1-CD1 3.58Å; F183-F187 HydrophobicContact CE1-CD1 3.58Å; F183-F187 HydrophobicContact CE1-CD2 4.28Å; F183-F187 HydrophobicContact CE1-CE1 4.1Å; F183-F187 AromaticContact CE1-CG 3.64Å; F183-F187 HydrophobicContact CE1-CG 3.64Å; F183-F187 HydrophobicContact CE2-CB 4.4Å; F183-F187 HydrophobicContact CZ-CB 3.93Å; F183-F187 HydrophobicContact CZ-CD1 4.06Å; F183-F187 AromaticContact CZ-CD2 3.91Å; F183-F187 HydrophobicContact CZ-CD2 3.91Å; F183-F187 HydrophobicContact CZ-CE2 4.41Å; F183-F187 AromaticContact CZ-CG 3.69Å; F183-F187 HydrophobicContact CZ-CG 3.69Å; F183-F187 VanDerWaalsContact O-CB 3.25Å; F183-F187 WeakPolarHBondContact O-CB 3.3Å; F183-F187 PolarHBondContact O-N 3.25Å
184L96.9Very high96Very high6 Ų641.9 Ų41.93%0.03121%0.205CC..Hα-helixtrans-62.6-23-177.1-78.5171.5000114.1Q105 L108 Q109 V112 I180 R181 K182 F187 S188Q105-L184 HydrophobicContact CG-CD2 4.35Å; L108-L184 HydrophobicContact CB-CD1 4.11Å; L108-L184 HydrophobicContact CB-CD2 3.94Å; L108-L184 HydrophobicContact CB-CG 4.31Å; Q109-L184 HydrophobicContact CB-CD1 4.31Å; V112-L184 HydrophobicContact CG1-CD1 4.37Å; V112-L184 HydrophobicContact CG2-CD1 3.85Å; I180-L184 HydrophobicContact CG2-CD1 3.88Å; I180-L184 HydrophobicContact CG2-CG 4.24Å; I180-L184 WeakPolarHBondContact O-CB 3.34Å; I180-L184 WeakPolarHBondContact O-CG 3.5Å; I180-L184 PolarHBondContact O-N 3.2Å; R181-L184 WeakPolarHBondContact O-CB 3.4Å; R181-L184 PolarHBondContact O-N 3.46Å; K182-L184 VanDerWaalsContact C-N 3.33Å; K182-L184 PolarHBondContact O-N 3.05Å; L184-F187 HydrophobicContact CD2-CD1 4.08Å; L184-S188 WeakPolarHBondContact O-CB 3.49Å; L184-S188 PolarHBondContact O-N 3.07Å; L184-S188 PolarHBondContact O-OG 2.68Å
185I96.9Very high96.2Very high114 Ų11437.8 Ų37.859%0.58518%0.184SC*.Hα-helixtrans-58-66.3-178.3-63.9169.3000110.9R181 K182 F183 A189R181-I185 PolarHBondContact O-N 2.63Å; K182-I185 PolarHBondContact O-N 2.66Å; F183-I185 PolarHBondContact O-N 2.7Å; I185-A189 PolarHBondContact O-N 3.21Å
186N97.4Very high96.5Very high42 Ų4236.1 Ų36.123%0.22518%0.179CC..Hα-helixtrans-77.2-29.7-177.2-68-19000111.8F9 Q11 T190F9-N186 HydrophobicContact CB-CB 3.82Å; F9-N186 WeakPolarHBondContact O-CB 3.31Å; F9-N186 PolarHBondContact O-ND2 3.47Å; Q11-N186 PolarHBondContact N-ND2 2.93Å; N186-T190 WeakPolarHBondContact O-CB 3.48Å; N186-T190 PolarHBondContact O-N 2.67Å; N186-T190 PolarHBondContact O-OG1 3.25Å
187F97.7Very high96.8Very high0 Ų036.9 Ų36.90%018%0.183CC..Hα-helixtrans-61.9-51.4176.1178.4-120.6000111.3F9 L30 L101 I104 Q105 F183 L184 A189 T190 V191F9-F187 HydrophobicContact CD1-CD2 4.43Å; F9-F187 HydrophobicContact CD2-CB 3.95Å; F9-F187 AromaticContact CD2-CD2 3.66Å; F9-F187 HydrophobicContact CD2-CD2 3.66Å; F9-F187 HydrophobicContact CD2-CG 4.25Å; F9-F187 HydrophobicContact CE1-CD2 4.1Å; F9-F187 HydrophobicContact CE2-CB 4.41Å; F9-F187 AromaticContact CE2-CD2 3.29Å; F9-F187 HydrophobicContact CE2-CD2 3.29Å; F9-F187 AromaticContact CE2-CE2 3.88Å; F9-F187 HydrophobicContact CE2-CE2 3.88Å; F9-F187 HydrophobicContact CE2-CG 4.21Å; F9-F187 HydrophobicContact CG-CB 4.4Å; F9-F187 HydrophobicContact CG-CD2 4.23Å; F9-F187 AromaticContact CZ-CD2 3.53Å; F9-F187 HydrophobicContact CZ-CD2 3.53Å; F9-F187 AromaticContact CZ-CE2 3.8Å; F9-F187 HydrophobicContact CZ-CE2 3.8Å; L30-F187 HydrophobicContact CD1-CE2 3.88Å; L30-F187 HydrophobicContact CD1-CZ 4.35Å; L101-F187 HydrophobicContact CB-CE2 4.21Å; L101-F187 HydrophobicContact CB-CZ 4.04Å; L101-F187 HydrophobicContact CD2-CE2 4.11Å; L101-F187 HydrophobicContact CD2-CZ 4.33Å; L101-F187 WeakPolarHBondContact O-CZ 3.47Å; I104-F187 HydrophobicContact CB-CE1 4.32Å; I104-F187 HydrophobicContact CB-CZ 4.22Å; I104-F187 HydrophobicContact CG2-CE1 4.07Å; I104-F187 HydrophobicContact CG2-CZ 4.18Å; Q105-F187 HydrophobicContact CB-CD1 4.16Å; Q105-F187 HydrophobicContact CB-CE1 3.63Å; Q105-F187 HydrophobicContact CB-CZ 4.48Å; Q105-F187 HydrophobicContact CG-CD1 4.4Å; Q105-F187 HydrophobicContact CG-CE1 4.34Å; F183-F187 HydrophobicContact CD1-CB 4.29Å; F183-F187 HydrophobicContact CD1-CD1 4.4Å; F183-F187 HydrophobicContact CD1-CG 4.48Å; F183-F187 HydrophobicContact CE1-CB 3.87Å; F183-F187 AromaticContact CE1-CD1 3.58Å; F183-F187 HydrophobicContact CE1-CD1 3.58Å; F183-F187 HydrophobicContact CE1-CD2 4.28Å; F183-F187 HydrophobicContact CE1-CE1 4.1Å; F183-F187 AromaticContact CE1-CG 3.64Å; F183-F187 HydrophobicContact CE1-CG 3.64Å; F183-F187 HydrophobicContact CE2-CB 4.4Å; F183-F187 HydrophobicContact CZ-CB 3.93Å; F183-F187 HydrophobicContact CZ-CD1 4.06Å; F183-F187 AromaticContact CZ-CD2 3.91Å; F183-F187 HydrophobicContact CZ-CD2 3.91Å; F183-F187 HydrophobicContact CZ-CE2 4.41Å; F183-F187 AromaticContact CZ-CG 3.69Å; F183-F187 HydrophobicContact CZ-CG 3.69Å; F183-F187 VanDerWaalsContact O-CB 3.25Å; F183-F187 WeakPolarHBondContact O-CB 3.3Å; F183-F187 PolarHBondContact O-N 3.25Å; L184-F187 HydrophobicContact CD2-CD1 4.08Å; F187-A189 PolarHBondContact O-N 2.82Å; F187-T190 PolarHBondContact O-N 3.43Å; F187-V191 HydrophobicContact CD2-CG2 4.02Å; F187-V191 HydrophobicContact CE1-CG2 4.38Å; F187-V191 HydrophobicContact CE2-CG2 3.69Å; F187-V191 HydrophobicContact CZ-CG2 3.9Å; F187-V191 WeakPolarHBondContact O-CG2 3.28Å; F187-V191 PolarHBondContact O-N 3.38Å
188S98.1Very high97Very high19 Ų1936.1 Ų36.113%0.13318%0.178CC..Hα-helixtrans-60.5-47.5178.6-61.80000111.4Q105 L184 T190 V191 D192Q105-S188 WeakPolarHBondContact CG-OG 3.18Å; Q105-S188 PolarHBondContact NE2-OG 3.46Å; L184-S188 WeakPolarHBondContact O-CB 3.49Å; L184-S188 PolarHBondContact O-N 3.07Å; L184-S188 PolarHBondContact O-OG 2.68Å; S188-T190 VanDerWaalsContact C-N 3.28Å; S188-T190 PolarHBondContact O-N 2.79Å; S188-V191 PolarHBondContact O-N 2.9Å; S188-D192 WeakPolarHBondContact O-CB 3.47Å; S188-D192 PolarHBondContact O-N 3.04Å
189A98.4Very high97.2Very high38 Ų3837.1 Ų37.131%0.31419%0.193SC..Hα-helixtrans-57.6-42.1178.300000112.3L12 I185 F187 A193L12-A189 HydrophobicContact CD1-CB 4.15Å; L12-A189 VanDerWaalsContact CD1-O 3.31Å; L12-A189 WeakPolarHBondContact CD1-O 3.5Å; I185-A189 PolarHBondContact O-N 3.21Å; F187-A189 PolarHBondContact O-N 2.82Å; A189-A193 WeakPolarHBondContact O-CB 3.41Å; A189-A193 PolarHBondContact O-N 3.24Å
190T98.6Very high97.4Very high4 Ų443.7 Ų43.73%0.02522%0.216CC..Hα-helixtrans-66.4-47.7177.3-57.20000111.6F9 V18 F23 N186 F187 S188 D192 A193 V194F9-T190 HydrophobicContact CD1-CG2 3.89Å; F9-T190 HydrophobicContact CE1-CG2 4.26Å; V18-T190 HydrophobicContact CG1-CG2 3.97Å; V18-T190 HydrophobicContact CG2-CG2 4.21Å; F23-T190 HydrophobicContact CD2-CG2 3.86Å; F23-T190 HydrophobicContact CE2-CG2 4.17Å; N186-T190 WeakPolarHBondContact O-CB 3.48Å; N186-T190 PolarHBondContact O-N 2.67Å; N186-T190 PolarHBondContact O-OG1 3.25Å; F187-T190 PolarHBondContact O-N 3.43Å; S188-T190 VanDerWaalsContact C-N 3.28Å; S188-T190 PolarHBondContact O-N 2.79Å; T190-D192 VanDerWaalsContact C-N 3.31Å; T190-D192 PolarHBondContact O-N 3.15Å; T190-A193 PolarHBondContact O-N 3.17Å; T190-V194 WeakPolarHBondContact O-CG2 3.46Å; T190-V194 PolarHBondContact O-N 3.02Å
191V98.4Very high97.6Very high1 Ų144.7 Ų44.71%0.00622%0.221CC..Hα-helixtrans-60.2-43.5177.81760000110.4L101 R102 F187 S188 A193 V194 Y195L101-V191 HydrophobicContact CB-CG1 4.46Å; L101-V191 HydrophobicContact CB-CG2 3.72Å; L101-V191 HydrophobicContact CD1-CG2 4.37Å; R102-V191 HydrophobicContact CB-CG1 4.37Å; F187-V191 HydrophobicContact CD2-CG2 4.02Å; F187-V191 HydrophobicContact CE1-CG2 4.38Å; F187-V191 HydrophobicContact CE2-CG2 3.69Å; F187-V191 HydrophobicContact CZ-CG2 3.9Å; F187-V191 WeakPolarHBondContact O-CG2 3.28Å; F187-V191 PolarHBondContact O-N 3.38Å; S188-V191 PolarHBondContact O-N 2.9Å; V191-A193 PolarHBondContact O-N 2.96Å; V191-V194 PolarHBondContact O-N 3.28Å; V191-Y195 HydrophobicContact CG1-CD2 3.9Å; V191-Y195 HydrophobicContact CG1-CE2 3.9Å; V191-Y195 WeakPolarHBondContact O-CD2 3.47Å; V191-Y195 PolarHBondContact O-N 3.46Å
192D98.4Very high97.7Very high56 Ų5645.9 Ų45.930%0.29924%0.235SC..Hα-helixtrans-61.3-43.7176.4-67.5-25.8000111.9R102 S188 T190 V194 Y195 D196R102-D192 IonicContact CZ-OD1 2.7Å; R102-D192 IonicContact NH1-OD1 3.47Å; R102-D192 PolarHBondContact NH1-OD1 2.99Å; R102-D192 IonicContact NH2-OD1 2.67Å; R102-D192 PolarHBondContact NH2-OD1 2.76Å; S188-D192 WeakPolarHBondContact O-CB 3.47Å; S188-D192 PolarHBondContact O-N 3.04Å; T190-D192 VanDerWaalsContact C-N 3.31Å; T190-D192 PolarHBondContact O-N 3.15Å; D192-V194 VanDerWaalsContact C-N 3.33Å; D192-V194 PolarHBondContact O-N 3.06Å; D192-Y195 PolarHBondContact O-N 3.49Å; D192-D196 WeakPolarHBondContact O-CB 3.49Å; D192-D196 VanDerWaalsContact O-CG 3.28Å; D192-D196 PolarHBondContact O-N 3.16Å
193A98.4Very high97.8Very high8 Ų841 Ų417%0.06621%0.214CC..Hα-helixtrans-61.7-39175.900000112.7L12 V18 A189 T190 V191 D196 M197L12-A193 HydrophobicContact CD1-CB 3.65Å; V18-A193 HydrophobicContact CG2-CB 4.12Å; A189-A193 WeakPolarHBondContact O-CB 3.41Å; A189-A193 PolarHBondContact O-N 3.24Å; T190-A193 PolarHBondContact O-N 3.17Å; V191-A193 PolarHBondContact O-N 2.96Å; A193-D196 PolarHBondContact O-N 2.88Å; A193-M197 WeakPolarHBondContact O-CB 3.22Å; A193-M197 PolarHBondContact O-N 2.81Å
194V98.6Very high97.8Very high1 Ų142.8 Ų42.81%0.00622%0.224CC..Hα-helixtrans-65.6-41.8175.1175.50000111V18 F23 L70 L94 K98 T190 V191 D192 M197 F198V18-V194 HydrophobicContact CG2-CG2 4.34Å; F23-V194 HydrophobicContact CE2-CG2 4.39Å; L70-V194 HydrophobicContact CD1-CG2 3.75Å; L94-V194 HydrophobicContact CD1-CG1 4.47Å; L94-V194 HydrophobicContact CD2-CG1 4.49Å; L94-V194 HydrophobicContact CG-CG1 4.41Å; K98-V194 HydrophobicContact CB-CG1 3.8Å; K98-V194 HydrophobicContact CD-CG1 4.04Å; T190-V194 WeakPolarHBondContact O-CG2 3.46Å; T190-V194 PolarHBondContact O-N 3.02Å; V191-V194 PolarHBondContact O-N 3.28Å; D192-V194 VanDerWaalsContact C-N 3.33Å; D192-V194 PolarHBondContact O-N 3.06Å; V194-M197 HydrophobicContact CG1-CE 4.12Å; V194-M197 WeakPolarHBondContact O-CB 3.35Å; V194-M197 PolarHBondContact O-N 3.27Å; V194-F198 HydrophobicContact CG1-CD2 4.03Å; V194-F198 HydrophobicContact CG1-CE2 4.06Å; V194-F198 VanDerWaalsContact O-CD2 3.3Å; V194-F198 WeakPolarHBondContact O-CD2 3.29Å; V194-F198 PolarHBondContact O-N 2.93Å
195Y98.5Very high97.7Very high44 Ų4444.7 Ų44.717%0.17323%0.232CC..Hα-helixtrans-64-44.3175.1-91.3-99.3000112.4K98 R99 R102 V191 D192 M197 F198 C199K98-Y195 HydrophobicContact CB-CD2 4.37Å; K98-Y195 HydrophobicContact CB-CE2 3.97Å; K98-Y195 HydrophobicContact CD-CD2 4.35Å; K98-Y195 HydrophobicContact CD-CE2 4.32Å; K98-Y195 HydrophobicContact CG-CD2 4.46Å; K98-Y195 HydrophobicContact CG-CE2 4Å; K98-Y195 WeakPolarHBondContact O-CE2 3.38Å; K98-Y195 PolarHBondContact O-OH 2.96Å; R99-Y195 WeakPolarHBondContact CA-OH 3.46Å; R102-Y195 HydrophobicContact CB-CE2 3.81Å; R102-Y195 VanDerWaalsContact CB-OH 3.26Å; R102-Y195 WeakPolarHBondContact CB-OH 3.3Å; R102-Y195 HydrophobicContact CG-CE2 4.38Å; V191-Y195 HydrophobicContact CG1-CD2 3.9Å; V191-Y195 HydrophobicContact CG1-CE2 3.9Å; V191-Y195 WeakPolarHBondContact O-CD2 3.47Å; V191-Y195 PolarHBondContact O-N 3.46Å; D192-Y195 PolarHBondContact O-N 3.49Å; Y195-M197 VanDerWaalsContact C-N 3.3Å; Y195-M197 PolarHBondContact O-N 3.38Å; Y195-F198 PolarHBondContact O-N 2.9Å; Y195-C199 WeakPolarHBondContact O-CB 3.32Å; Y195-C199 PolarHBondContact O-N 3.27Å
196D98Very high97.6Very high59 Ų5944.6 Ų44.632%0.31623%0.233SC..Hα-helixtrans-59.1-42.8176.7-72.4-19.5000111.1R16 D192 A193 C199 R200R16-D196 IonicContact CZ-OD2 3.25Å; R16-D196 VanDerWaalsContact CZ-OD2 3.25Å; R16-D196 IonicContact NH1-OD2 2.81Å; R16-D196 PolarHBondContact NH1-OD2 3.42Å; R16-D196 IonicContact NH2-OD2 2.88Å; R16-D196 PolarHBondContact NH2-OD2 2.93Å; D192-D196 WeakPolarHBondContact O-CB 3.49Å; D192-D196 VanDerWaalsContact O-CG 3.28Å; D192-D196 PolarHBondContact O-N 3.16Å; A193-D196 PolarHBondContact O-N 2.88Å; D196-C199 PolarHBondContact O-N 3.24Å; D196-R200 WeakPolarHBondContact O-CB 3.33Å; D196-R200 VanDerWaalsContact O-CG 3.29Å; D196-R200 WeakPolarHBondContact O-CG 3.45Å; D196-R200 PolarHBondContact O-N 3.31Å
197M98.1Very high97.5Very high16 Ų1646.4 Ų46.48%0.07924%0.237CC..Hα-helixtrans-58.7-52.2174.6168.4-179.279.500111.7L70 Q71 L74 L94 A193 V194 Y195 C199 R200 M201L70-M197 HydrophobicContact CB-CE 3.92Å; L70-M197 HydrophobicContact CB-SD 4.02Å; Q71-M197 VanDerWaalsContact CA-SD 3.6Å; Q71-M197 HydrophobicContact CB-SD 4.15Å; Q71-M197 PolarHBondContact N-SD 3.26Å; Q71-M197 VanDerWaalsContact OE1-CG 3.25Å; L74-M197 HydrophobicContact CD1-CE 4.04Å; L74-M197 HydrophobicContact CD2-CE 3.91Å; L74-M197 HydrophobicContact CD2-CG 4.27Å; L74-M197 HydrophobicContact CD2-SD 4.32Å; L94-M197 HydrophobicContact CD2-CE 3.95Å; A193-M197 WeakPolarHBondContact O-CB 3.22Å; A193-M197 PolarHBondContact O-N 2.81Å; V194-M197 HydrophobicContact CG1-CE 4.12Å; V194-M197 WeakPolarHBondContact O-CB 3.35Å; V194-M197 PolarHBondContact O-N 3.27Å; Y195-M197 VanDerWaalsContact C-N 3.3Å; Y195-M197 PolarHBondContact O-N 3.38Å; M197-C199 VanDerWaalsContact C-N 3.26Å; M197-C199 PolarHBondContact O-N 2.99Å; M197-R200 PolarHBondContact O-N 3.06Å; M197-M201 HydrophobicContact CG-SD 3.96Å; M197-M201 WeakPolarHBondContact O-CB 3.5Å; M197-M201 WeakPolarHBondContact O-CG 3.47Å; M197-M201 PolarHBondContact O-N 2.91Å
198F98.4Very high97.5Very high0 Ų052.8 Ų52.80%027%0.265CS..Hα-helixtrans-59.1-38.9179.2-93-101.5000112.3L74 T91 L94 M95 K98 V194 Y195 N202 A203L74-F198 HydrophobicContact CD1-CE2 4.45Å; L74-F198 HydrophobicContact CD2-CD2 4.15Å; L74-F198 HydrophobicContact CD2-CE1 4.38Å; L74-F198 HydrophobicContact CD2-CE2 3.9Å; L74-F198 HydrophobicContact CD2-CZ 4.02Å; T91-F198 HydrophobicContact CG2-CE1 4.29Å; T91-F198 WeakPolarHBondContact O-CZ 3.13Å; L94-F198 HydrophobicContact CB-CE2 4.33Å; L94-F198 HydrophobicContact CB-CZ 4.05Å; L94-F198 HydrophobicContact CD2-CE2 3.77Å; L94-F198 HydrophobicContact CD2-CZ 4.24Å; L94-F198 HydrophobicContact CG-CE2 3.77Å; L94-F198 HydrophobicContact CG-CZ 4.01Å; M95-F198 HydrophobicContact CB-CD1 4.4Å; M95-F198 HydrophobicContact CB-CE1 3.55Å; M95-F198 HydrophobicContact CB-CZ 4.02Å; M95-F198 HydrophobicContact CG-CD1 4.33Å; M95-F198 HydrophobicContact CG-CE1 3.95Å; K98-F198 HydrophobicContact CD-CB 4.36Å; K98-F198 HydrophobicContact CD-CD1 4.2Å; K98-F198 HydrophobicContact CD-CD2 3.64Å; K98-F198 HydrophobicContact CD-CE1 4.47Å; K98-F198 HydrophobicContact CD-CE2 3.89Å; K98-F198 HydrophobicContact CD-CG 3.79Å; K98-F198 HydrophobicContact CD-CZ 4.31Å; K98-F198 VanDerWaalsContact CE-CD1 3.48Å; K98-F198 VanDerWaalsContact CE-CG 3.42Å; V194-F198 HydrophobicContact CG1-CD2 4.03Å; V194-F198 HydrophobicContact CG1-CE2 4.06Å; V194-F198 VanDerWaalsContact O-CD2 3.3Å; V194-F198 WeakPolarHBondContact O-CD2 3.29Å; V194-F198 PolarHBondContact O-N 2.93Å; Y195-F198 PolarHBondContact O-N 2.9Å; F198-N202 PolarHBondContact O-N 3.2Å; F198-A203 HydrophobicContact CB-CB 4.5Å; F198-A203 HydrophobicContact CD1-CB 3.53Å; F198-A203 HydrophobicContact CE1-CB 3.92Å; F198-A203 HydrophobicContact CG-CB 4.16Å; F198-A203 PolarHBondContact O-N 3.31Å
199C97.6Very high97.2Very high99 Ų9956.6 Ų56.667%0.66929%0.287SS*.Hα-helixtrans-63.6-52.5175.5-1750000111.4Y195 D196 M197 M201 N202Y195-C199 WeakPolarHBondContact O-CB 3.32Å; Y195-C199 PolarHBondContact O-N 3.27Å; D196-C199 PolarHBondContact O-N 3.24Å; M197-C199 VanDerWaalsContact C-N 3.26Å; M197-C199 PolarHBondContact O-N 2.99Å; C199-M201 VanDerWaalsContact C-N 3.27Å; C199-M201 PolarHBondContact O-N 3.06Å; C199-N202 PolarHBondContact O-N 3.08Å; C199-N202 VanDerWaalsContact O-N 3.1Å
200R97.3Very high97.2Very high197 Ų19757.5 Ų57.574%0.74329%0.286SS*.Hα-helixtrans-60.5-35.8-179.5-72.3174.4-170.7179.52.7113D196 M197 N202D196-R200 WeakPolarHBondContact O-CB 3.33Å; D196-R200 VanDerWaalsContact O-CG 3.29Å; D196-R200 WeakPolarHBondContact O-CG 3.45Å; D196-R200 PolarHBondContact O-N 3.31Å; M197-R200 PolarHBondContact O-N 3.06Å; R200-N202 VanDerWaalsContact C-N 3.32Å
201M97.4Very high97.1Very high21 Ų2160.3 Ų60.310%0.10330%0.3CS..Hα-helixtrans-83.5-8.9-179.3-64.8-171.476.800113.6Q71 L74 E75 W85 M197 C199 A203Q71-M201 PolarHBondContact NE2-SD 3.5Å; L74-M201 HydrophobicContact CB-CE 3.55Å; L74-M201 HydrophobicContact CB-SD 3.55Å; L74-M201 VanDerWaalsContact CB-SD 3.55Å; L74-M201 HydrophobicContact CD2-SD 3.67Å; L74-M201 HydrophobicContact CG-SD 4.27Å; E75-M201 HydrophobicContact CB-CE 4.43Å; E75-M201 HydrophobicContact CG-CE 3.61Å; W85-M201 HydrophobicContact CH2-CB 4.15Å; W85-M201 VanDerWaalsContact CH2-O 3.27Å; W85-M201 WeakPolarHBondContact CH2-O 3.37Å; W85-M201 HydrophobicContact CZ2-CE 4.41Å; M197-M201 HydrophobicContact CG-SD 3.96Å; M197-M201 WeakPolarHBondContact O-CB 3.5Å; M197-M201 WeakPolarHBondContact O-CG 3.47Å; M197-M201 PolarHBondContact O-N 2.91Å; C199-M201 VanDerWaalsContact C-N 3.27Å; C199-M201 PolarHBondContact O-N 3.06Å; M201-A203 VanDerWaalsContact C-N 3.29Å; M201-A203 HydrophobicContact CB-CB 4.19Å
202N97.3Very high97Very high130 Ų13063.6 Ų63.670%0.69532%0.316SS*.THydrogen-bonded Turntrans5643.1-168.5-165.440000112.3F198 C199 R200F198-N202 PolarHBondContact O-N 3.2Å; C199-N202 PolarHBondContact O-N 3.08Å; C199-N202 VanDerWaalsContact O-N 3.1Å; R200-N202 VanDerWaalsContact C-N 3.32Å
203A97.6Very high96.9Very high0 Ų064.1 Ų64.10%032%0.317CS..  trans-97.2-9.4-175.600000113.6L74 W85 P86 T91 F198 M201L74-A203 HydrophobicContact CD2-CB 4.03Å; W85-A203 HydrophobicContact CH2-CB 3.48Å; W85-A203 VanDerWaalsContact CH2-CB 3.48Å; W85-A203 HydrophobicContact CZ2-CB 3.52Å; P86-A203 HydrophobicContact CB-CB 4.2Å; P86-A203 WeakPolarHBondContact CB-O 3.4Å; P86-A203 WeakPolarHBondContact CG-O 3.47Å; T91-A203 HydrophobicContact CG2-CB 4.37Å; F198-A203 HydrophobicContact CB-CB 4.5Å; F198-A203 HydrophobicContact CD1-CB 3.53Å; F198-A203 HydrophobicContact CE1-CB 3.92Å; F198-A203 HydrophobicContact CG-CB 4.16Å; F198-A203 PolarHBondContact O-N 3.31Å; M201-A203 VanDerWaalsContact C-N 3.29Å; M201-A203 HydrophobicContact CB-CB 4.19Å
204D95.7Very high96.8Very high43 Ų4367.6 Ų67.623%0.2333%0.333CS..  trans-80.8150.2-179.4-142.4-21.3000111.4K98 R99K98-D204 IonicContact NZ-OD1 3.99Å; K98-D204 PolarHBondContact NZ-OD1 3.36Å; K98-D204 IonicContact NZ-OD2 2.82Å; K98-D204 PolarHBondContact NZ-OD2 3.32Å; R99-D204 IonicContact CZ-OD1 3.83Å; R99-D204 IonicContact NE-OD1 2.94Å; R99-D204 IonicContact NH2-OD1 3.72Å; R99-D204 PolarHBondContact NH2-OD1 3.34Å
205Q94.9Very high96.7Very high46 Ų4672 Ų7222%0.21536%0.355CS..  trans-138.5130.7-175.9-61-70.2-5700111.5P86 K87 M95 R99 Y207P86-Q205 HydrophobicContact CG-CG 3.83Å; P86-Q205 VanDerWaalsContact CG-NE2 3.31Å; K87-Q205 HydrophobicContact CG-CG 4.14Å; M95-Q205 HydrophobicContact CE-CB 4.31Å; M95-Q205 HydrophobicContact SD-CB 3.7Å; M95-Q205 HydrophobicContact SD-CG 3.98Å; R99-Q205 PolarHBondContact NH2-O 3.22Å; Q205-Y207 HydrophobicContact CB-CD1 3.82Å; Q205-Y207 HydrophobicContact CB-CE1 4.11Å; Q205-Y207 PolarHBondContact O-N 3.29Å
206D95.2Very high96.6Very high113 Ų11374 Ų7460%0.60437%0.368SS*.  trans-9517.9-173.5-67.8-46.1000114.9
207Y95.3Very high96.5Very high79 Ų7975.2 Ų75.231%0.3137%0.372SS..  trans-67.5151.7177.175.7-91.6000111.3L92 M95 W96 Q205 V209L92-Y207 HydrophobicContact CD1-CE1 4.41Å; L92-Y207 WeakPolarHBondContact CD1-OH 3.32Å; M95-Y207 HydrophobicContact CE-CE1 3.85Å; W96-Y207 HydrophobicContact CH2-CE2 4.5Å; W96-Y207 HydrophobicContact CZ2-CD2 4.47Å; W96-Y207 HydrophobicContact CZ2-CE1 4.35Å; W96-Y207 AromaticContact CZ2-CE2 3.61Å; W96-Y207 HydrophobicContact CZ2-CE2 3.61Å; W96-Y207 AromaticContact CZ2-CZ 3.54Å; W96-Y207 WeakPolarHBondContact CZ2-OH 3.27Å; W96-Y207 AromaticContact NE1-CZ 3.9Å; W96-Y207 PolarHBondContact NE1-OH 3.32Å; Q205-Y207 HydrophobicContact CB-CD1 3.82Å; Q205-Y207 HydrophobicContact CB-CE1 4.11Å; Q205-Y207 PolarHBondContact O-N 3.29Å; Y207-V209 HydrophobicContact CD2-CG1 4.48Å; Y207-V209 HydrophobicContact CE2-CG1 4Å
208K96.6Very high96.3Very high135 Ų13580.1 Ų80.159%0.58740%0.396SS*.  trans-102.7144.5-178.3-64.3-178.5-178.8177.90111.6R138 Y139R138-K208 WeakPolarHBondContact O-CE 3.06Å; R138-K208 WeakPolarHBondContact O-CG 3.46Å; Y139-K208 CarbonylContact O-C 3.55Å; Y139-K208 WeakPolarHBondContact O-CA 3.18Å
209V93Very high96.2Very high98 Ų9887.4 Ų87.459%0.59443%0.432SS*.  trans-106.30167.4-630000111.5W96 Y139 H140 G141 V144 Y207W96-V209 HydrophobicContact CH2-CG1 3.78Å; W96-V209 HydrophobicContact CH2-CG2 3.91Å; W96-V209 HydrophobicContact CZ2-CG1 3.81Å; W96-V209 HydrophobicContact CZ3-CG2 4.33Å; Y139-V209 PolarHBondContact O-N 3.27Å; H140-V209 CarbonylContact C-O 3.4Å; H140-V209 WeakPolarHBondContact CA-O 3.42Å; G141-V209 PolarHBondContact N-O 3.1Å; V144-V209 WeakPolarHBondContact CG2-O 3.48Å; Y207-V209 HydrophobicContact CD2-CG1 4.48Å; Y207-V209 HydrophobicContact CE2-CG1 4Å

Retrieved 209 of 209 residues in 290.8 ms (Link to these results)

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