A0A077ZBR2_TRITR Loading...

HTH 19 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBR2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 274 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
1M46.8Very low83.3Confident205 Ų20555.7 Ų55.7100%1.0128%0.28SS*.  0108.90-112.3177.8-86.100106.7
2E60.9Low84.4Confident89 Ų8953.2 Ų53.242%0.41626%0.264SS..  trans-63.7140.4169.6-75.5175.9177.200108.5V7 F65E2-V7 HydrophobicContact CB-CG2 4.15Å; E2-F65 WeakPolarHBondContact O-CZ 3.26Å
3A80.1Confident85.3Confident40 Ų4059.1 Ų59.133%0.33129%0.287SS..  trans-82.3149.3177.700000109.9G5 Q6 V7 N38A3-G5 PolarHBondContact O-N 2.94Å; A3-Q6 WeakPolarHBondContact O-CB 3.22Å; A3-Q6 PolarHBondContact O-N 3.42Å; A3-V7 PolarHBondContact O-N 2.99Å; A3-N38 HydrophobicContact CB-CB 4.04Å; A3-N38 WeakPolarHBondContact CB-ND2 3.4Å; A3-N38 WeakPolarHBondContact CB-OD1 3.44Å
4I86.1Confident85.8Confident41 Ų4165.4 Ų65.421%0.2132%0.316CS..Hα-helixtrans-54.6-30.8-169.1-166.8170.1000113.3V7 L8 I47 L61 M62 F65I4-V7 PolarHBondContact O-N 2.98Å; I4-L8 WeakPolarHBondContact O-CB 3.38Å; I4-L8 PolarHBondContact O-N 3.1Å; I4-I47 HydrophobicContact CD1-CD1 4.04Å; I4-L61 HydrophobicContact CD1-CD2 4.01Å; I4-L61 HydrophobicContact CD1-CG 4.42Å; I4-L61 HydrophobicContact CG1-CD2 3.99Å; I4-L61 HydrophobicContact CG1-CG 4.07Å; I4-M62 HydrophobicContact CD1-CG 4.1Å; I4-F65 HydrophobicContact CB-CE2 3.96Å; I4-F65 HydrophobicContact CB-CZ 4.07Å; I4-F65 HydrophobicContact CG1-CE2 4.43Å
5G90.3Very high86.2Confident0 Ų067.1 Ų67.10%032%0.323CS..Hα-helixtrans-63.4-39.717600000113.4A3 L8 K9 I35 E36 N38A3-G5 PolarHBondContact O-N 2.94Å; G5-L8 PolarHBondContact O-N 3.25Å; G5-K9 WeakPolarHBondContact O-CB 3.16Å; G5-K9 PolarHBondContact O-N 3.22Å; G5-I35 WeakPolarHBondContact CA-O 3.14Å; G5-E36 CarbonylContact C-O 3.31Å; G5-E36 WeakPolarHBondContact O-CA 3.48Å; G5-N38 VanDerWaalsContact CA-OD1 3.29Å; G5-N38 WeakPolarHBondContact CA-OD1 3.47Å; G5-N38 PolarHBondContact N-OD1 3.07Å
6Q89.7Confident86.7Confident63 Ų6367.1 Ų67.129%0.29435%0.346SS..Hα-helixtrans-68.6-43.1179.6-178.15734.100110.8A3 L8 K9 E10A3-Q6 WeakPolarHBondContact O-CB 3.22Å; A3-Q6 PolarHBondContact O-N 3.42Å; Q6-L8 VanDerWaalsContact C-N 3.34Å; Q6-L8 PolarHBondContact O-N 2.89Å; Q6-K9 VanDerWaalsContact O-CB 3.32Å; Q6-K9 WeakPolarHBondContact O-CB 3.35Å; Q6-K9 PolarHBondContact O-N 2.64Å; Q6-E10 PolarHBondContact NE2-OE1 3.38Å; Q6-E10 WeakPolarHBondContact O-CG 3.49Å; Q6-E10 PolarHBondContact O-N 3.43Å
7V89.3Confident87.2Confident15 Ų1566.1 Ų66.19%0.09134%0.34CS..Hα-helixtrans-61.9-42.9175.1-177.40000111E2 A3 I4 K9 E10 F11 L61E2-V7 HydrophobicContact CB-CG2 4.15Å; A3-V7 PolarHBondContact O-N 2.99Å; I4-V7 PolarHBondContact O-N 2.98Å; V7-K9 VanDerWaalsContact C-N 3.3Å; V7-K9 PolarHBondContact O-N 3.15Å; V7-E10 PolarHBondContact O-N 3.38Å; V7-F11 HydrophobicContact CG1-CD2 3.87Å; V7-F11 HydrophobicContact CG1-CE2 3.69Å; V7-F11 WeakPolarHBondContact O-CD2 3.23Å; V7-F11 PolarHBondContact O-N 3.01Å; V7-L61 HydrophobicContact CB-CD1 4.35Å; V7-L61 HydrophobicContact CG1-CD1 4.06Å; V7-L61 WeakPolarHBondContact CG1-O 3.46Å
8L93.3Very high87.8Confident5 Ų566.4 Ų66.43%0.02635%0.346CS..Hα-helixtrans-59.8-42.2175.6-179.369.6000111.8I4 G5 Q6 E10 F11 R12 L22 L32 I35 E36 L50 L54 L61I4-L8 WeakPolarHBondContact O-CB 3.38Å; I4-L8 PolarHBondContact O-N 3.1Å; G5-L8 PolarHBondContact O-N 3.25Å; Q6-L8 VanDerWaalsContact C-N 3.34Å; Q6-L8 PolarHBondContact O-N 2.89Å; L8-E10 VanDerWaalsContact C-N 3.31Å; L8-E10 PolarHBondContact O-N 2.74Å; L8-F11 PolarHBondContact O-N 3.07Å; L8-R12 WeakPolarHBondContact O-CB 3.46Å; L8-R12 PolarHBondContact O-N 3.11Å; L8-L22 HydrophobicContact CD1-CD2 4.38Å; L8-L32 HydrophobicContact CD2-CD1 3.78Å; L8-I35 HydrophobicContact CD2-CG2 3.86Å; L8-E36 HydrophobicContact CD2-CG 4.45Å; L8-L50 HydrophobicContact CD1-CB 4.29Å; L8-L50 HydrophobicContact CD2-CD1 3.98Å; L8-L54 HydrophobicContact CD1-CD1 3.55Å; L8-L61 HydrophobicContact CB-CD1 3.79Å; L8-L61 HydrophobicContact CD1-CD1 4.01Å; L8-L61 HydrophobicContact CD1-CD2 4.45Å
9K94.8Very high88.3Confident43 Ų4365 Ų6519%0.18734%0.337CS..Hα-helixtrans-63.1-37.8177.7-174.2-178.2-167.6167.10111.9G5 Q6 V7 K13 E36 N37G5-K9 WeakPolarHBondContact O-CB 3.16Å; G5-K9 PolarHBondContact O-N 3.22Å; Q6-K9 VanDerWaalsContact O-CB 3.32Å; Q6-K9 WeakPolarHBondContact O-CB 3.35Å; Q6-K9 PolarHBondContact O-N 2.64Å; V7-K9 VanDerWaalsContact C-N 3.3Å; V7-K9 PolarHBondContact O-N 3.15Å; K9-K13 WeakPolarHBondContact O-CB 3.48Å; K9-K13 VanDerWaalsContact O-CG 3.31Å; K9-K13 WeakPolarHBondContact O-CG 3.17Å; K9-K13 PolarHBondContact O-N 3.28Å; K9-E36 HydrophobicContact CB-CB 4.1Å; K9-E36 HydrophobicContact CB-CG 3.9Å; K9-E36 HydrophobicContact CD-CB 4.31Å; K9-E36 HydrophobicContact CG-CB 4.41Å; K9-E36 HydrophobicContact CG-CG 4.41Å; K9-N37 PolarHBondContact NZ-OD1 3.36Å
10E92.5Very high88.8Confident71 Ų7168.1 Ų68.133%0.33235%0.348SS..Hα-helixtrans-66.3-52.8176.4-75167.7-162.800111.2Q6 V7 L8 R12 K13 E14Q6-E10 PolarHBondContact NE2-OE1 3.38Å; Q6-E10 WeakPolarHBondContact O-CG 3.49Å; Q6-E10 PolarHBondContact O-N 3.43Å; V7-E10 PolarHBondContact O-N 3.38Å; L8-E10 VanDerWaalsContact C-N 3.31Å; L8-E10 PolarHBondContact O-N 2.74Å; E10-R12 VanDerWaalsContact C-N 3.26Å; E10-R12 PolarHBondContact O-N 3.46Å; E10-K13 PolarHBondContact O-N 2.78Å; E10-E14 WeakPolarHBondContact O-CG 3.42Å; E10-E14 PolarHBondContact O-N 2.72Å
11F93.1Very high89.2Confident41 Ų4168.9 Ų68.918%0.1835%0.353CS..Hα-helixtrans-54.5-43.6173.9-82.6-66.4000111.9V7 L8 K13 E14 H15 L54 I56 Q60 L61V7-F11 HydrophobicContact CG1-CD2 3.87Å; V7-F11 HydrophobicContact CG1-CE2 3.69Å; V7-F11 WeakPolarHBondContact O-CD2 3.23Å; V7-F11 PolarHBondContact O-N 3.01Å; L8-F11 PolarHBondContact O-N 3.07Å; F11-K13 VanDerWaalsContact C-N 3.33Å; F11-K13 PolarHBondContact O-N 3.29Å; F11-E14 PolarHBondContact O-N 3.34Å; F11-H15 PolarHBondContact O-N 3.47Å; F11-H15 VanDerWaalsContact O-N 3.11Å; F11-H15 PolarHBondContact O-ND1 3.08Å; F11-L54 HydrophobicContact CB-CD1 4.08Å; F11-I56 HydrophobicContact CB-CD1 4.17Å; F11-I56 HydrophobicContact CD1-CD1 4.04Å; F11-I56 HydrophobicContact CD1-CG2 3.98Å; F11-I56 HydrophobicContact CD2-CD1 3.62Å; F11-I56 HydrophobicContact CE1-CD1 4.32Å; F11-I56 HydrophobicContact CE1-CG2 3.99Å; F11-I56 HydrophobicContact CE2-CD1 3.93Å; F11-I56 HydrophobicContact CG-CD1 3.68Å; F11-I56 HydrophobicContact CZ-CD1 4.27Å; F11-Q60 HydrophobicContact CZ-CB 4.44Å; F11-L61 HydrophobicContact CD2-CD1 4.15Å
12R96.5Very high91.6Very high25 Ų2559.1 Ų59.19%0.09431%0.305CS..Hα-helixtrans-58.4-45.3177.1-175-176.351.376.8-3.5111.9L8 E10 H15 G16 M17 L22 E36 L54L8-R12 WeakPolarHBondContact O-CB 3.46Å; L8-R12 PolarHBondContact O-N 3.11Å; E10-R12 VanDerWaalsContact C-N 3.26Å; E10-R12 PolarHBondContact O-N 3.46Å; R12-H15 PolarHBondContact O-N 3.01Å; R12-G16 PolarHBondContact O-N 3.24Å; R12-M17 HydrophobicContact CG-CB 3.8Å; R12-M17 WeakPolarHBondContact CG-O 3.47Å; R12-M17 PolarHBondContact NH1-O 3.33Å; R12-M17 PolarHBondContact O-N 3.23Å; R12-M17 VanDerWaalsContact O-N 3.1Å; R12-L22 HydrophobicContact CB-CD2 3.9Å; R12-L22 HydrophobicContact CG-CB 4.21Å; R12-L22 HydrophobicContact CG-CD2 3.8Å; R12-E36 WeakPolarHBondContact CD-OE1 3.4Å; R12-E36 IonicContact CZ-OE1 3.49Å; R12-E36 IonicContact CZ-OE2 3.48Å; R12-E36 IonicContact NE-OE1 2.75Å; R12-E36 PolarHBondContact NE-OE1 3.08Å; R12-E36 IonicContact NE-OE2 2.74Å; R12-E36 PolarHBondContact NE-OE2 2.9Å; R12-E36 IonicContact NH2-OE1 2.8Å; R12-E36 PolarHBondContact NH2-OE1 3Å; R12-E36 IonicContact NH2-OE2 2.74Å; R12-E36 PolarHBondContact NH2-OE2 3.42Å; R12-L54 HydrophobicContact CB-CD2 4.33Å
13K95.6Very high93.3Very high130 Ų13055 Ų5557%0.56529%0.286SS*.Hα-helixtrans-67.3-40.6179.6-76.4178.3175.7-173.40112.1K9 E10 F11 H15 G16K9-K13 WeakPolarHBondContact O-CB 3.48Å; K9-K13 VanDerWaalsContact O-CG 3.31Å; K9-K13 WeakPolarHBondContact O-CG 3.17Å; K9-K13 PolarHBondContact O-N 3.28Å; E10-K13 PolarHBondContact O-N 2.78Å; F11-K13 VanDerWaalsContact C-N 3.33Å; F11-K13 PolarHBondContact O-N 3.29Å; K13-H15 PolarHBondContact O-N 3.43Å; K13-G16 PolarHBondContact O-N 2.83Å
14E92.3Very high94.1Very high148 Ų14859 Ų5969%0.69230%0.298SS*.Hα-helixtrans-59.2-35.3175.5-72.3-178.9163.800112.2E10 F11 G16E10-E14 WeakPolarHBondContact O-CG 3.42Å; E10-E14 PolarHBondContact O-N 2.72Å; F11-E14 PolarHBondContact O-N 3.34Å; E14-G16 VanDerWaalsContact C-N 3.28Å; E14-G16 PolarHBondContact O-N 2.9Å
15H91.7Very high94.6Very high90 Ų9060.9 Ų60.942%0.41733%0.327SS..THydrogen-bonded Turntrans-84.74.4176.3-67.777.9000113.7F11 R12 K13 M17 L54F11-H15 PolarHBondContact O-N 3.47Å; F11-H15 VanDerWaalsContact O-N 3.11Å; F11-H15 PolarHBondContact O-ND1 3.08Å; R12-H15 PolarHBondContact O-N 3.01Å; K13-H15 PolarHBondContact O-N 3.43Å; H15-M17 HydrophobicContact CB-CE 4.38Å; H15-M17 HydrophobicContact CB-CG 4.21Å; H15-M17 PolarHBondContact O-N 3.4Å; H15-L54 HydrophobicContact CB-CD2 4.38Å; H15-L54 PolarHBondContact NE2-O 3.5Å
16G94.7Very high94.9Very high67 Ų6762.5 Ų62.569%0.69134%0.335SS*.THydrogen-bonded Turntrans65.118.3178.900000114.8R12 K13 E14R12-G16 PolarHBondContact O-N 3.24Å; K13-G16 PolarHBondContact O-N 2.83Å; E14-G16 VanDerWaalsContact C-N 3.28Å; E14-G16 PolarHBondContact O-N 2.9Å
17M95.7Very high95.2Very high50 Ų5060.8 Ų60.825%0.24633%0.33CS..  trans-87.5140.7-175.9-67.8-175.3-176.600111.9R12 H15 D21 L22 L54R12-M17 HydrophobicContact CG-CB 3.8Å; R12-M17 WeakPolarHBondContact CG-O 3.47Å; R12-M17 PolarHBondContact NH1-O 3.33Å; R12-M17 PolarHBondContact O-N 3.23Å; R12-M17 VanDerWaalsContact O-N 3.1Å; H15-M17 HydrophobicContact CB-CE 4.38Å; H15-M17 HydrophobicContact CB-CG 4.21Å; H15-M17 PolarHBondContact O-N 3.4Å; M17-D21 HydrophobicContact CB-CB 4.32Å; M17-L22 HydrophobicContact SD-CD1 4.48Å; M17-L54 HydrophobicContact SD-CD2 3.96Å
18T97.3Very high95.5Very high73 Ų7362.8 Ų62.845%0.44835%0.345SS..  trans-76.7162.6166.272.80000110.6K20 D21 L22T18-K20 PolarHBondContact O-N 2.9Å; T18-K20 PolarHBondContact OG1-N 3.3Å; T18-D21 VanDerWaalsContact CB-OD2 3.28Å; T18-D21 WeakPolarHBondContact CB-OD2 3.49Å; T18-D21 WeakPolarHBondContact CG2-OD2 3.4Å; T18-D21 PolarHBondContact N-OD2 2.93Å; T18-D21 PolarHBondContact O-N 3.35Å; T18-D21 PolarHBondContact OG1-N 3.24Å; T18-D21 VanDerWaalsContact OG1-N 3.12Å; T18-D21 PolarHBondContact OG1-OD1 3.34Å; T18-D21 PolarHBondContact OG1-OD2 3.04Å; T18-L22 PolarHBondContact O-N 3.18Å
19Q97.8Very high95.7Very high39 Ų3967.2 Ų67.218%0.18237%0.366CS..Hα-helixtrans-59.8-31.5171.9-71176.6-2900111.5S23 Q29 L32 E36Q19-S23 VanDerWaalsContact O-CB 3.22Å; Q19-S23 WeakPolarHBondContact O-CB 3.38Å; Q19-S23 PolarHBondContact O-N 3.31Å; Q19-S23 PolarHBondContact O-OG 2.64Å; Q19-Q29 HydrophobicContact CB-CG 3.77Å; Q19-L32 HydrophobicContact CB-CD2 4.02Å; Q19-L32 HydrophobicContact CG-CD2 4.31Å; Q19-L32 VanDerWaalsContact O-CD2 3.3Å; Q19-L32 WeakPolarHBondContact O-CD2 3.46Å; Q19-E36 PolarHBondContact NE2-OE2 2.85Å
20K97.1Very high95.8Very high127 Ų12768.3 Ų68.355%0.55238%0.378SS*.Hα-helixtrans-65-45.6175.7-173.6-178.8177.7-175.90110.9T18 S23 Q24T18-K20 PolarHBondContact O-N 2.9Å; T18-K20 PolarHBondContact OG1-N 3.3Å; K20-S23 PolarHBondContact O-N 3.3Å; K20-S23 PolarHBondContact O-OG 3.14Å; K20-Q24 PolarHBondContact O-N 3.15Å; K20-Q24 VanDerWaalsContact O-N 3.16Å
21D97.1Very high96Very high84 Ų8466.1 Ų66.145%0.44937%0.37SS..Hα-helixtrans-62.6-46.3179.4-53.3-37.7000111.1M17 T18 R53M17-D21 HydrophobicContact CB-CB 4.32Å; T18-D21 VanDerWaalsContact CB-OD2 3.28Å; T18-D21 WeakPolarHBondContact CB-OD2 3.49Å; T18-D21 WeakPolarHBondContact CG2-OD2 3.4Å; T18-D21 PolarHBondContact N-OD2 2.93Å; T18-D21 PolarHBondContact O-N 3.35Å; T18-D21 PolarHBondContact OG1-N 3.24Å; T18-D21 VanDerWaalsContact OG1-N 3.12Å; T18-D21 PolarHBondContact OG1-OD1 3.34Å; T18-D21 PolarHBondContact OG1-OD2 3.04Å; D21-R53 WeakPolarHBondContact O-CD 3.37Å
22L97.6Very high96.2Very high0 Ų064.1 Ų64.10%036%0.361CS..Hα-helixtrans-70.4-36.6-178.3-178.358.6000112.5L8 R12 M17 T18 L32 L50 R53 L54L8-L22 HydrophobicContact CD1-CD2 4.38Å; R12-L22 HydrophobicContact CB-CD2 3.9Å; R12-L22 HydrophobicContact CG-CB 4.21Å; R12-L22 HydrophobicContact CG-CD2 3.8Å; M17-L22 HydrophobicContact SD-CD1 4.48Å; T18-L22 PolarHBondContact O-N 3.18Å; L22-L32 HydrophobicContact CB-CD2 3.8Å; L22-L32 HydrophobicContact CD2-CD1 4.25Å; L22-L32 HydrophobicContact CD2-CD2 3.99Å; L22-L32 HydrophobicContact CG-CD2 3.94Å; L22-L50 HydrophobicContact CD1-CD2 4Å; L22-L50 HydrophobicContact CD2-CD2 4.26Å; L22-L50 HydrophobicContact CG-CD2 3.71Å; L22-R53 HydrophobicContact CD1-CB 3.98Å; L22-R53 HydrophobicContact CD1-CG 3.97Å; L22-R53 WeakPolarHBondContact O-CD 3.49Å; L22-R53 PolarHBondContact O-NH1 3.36Å; L22-L54 HydrophobicContact CD1-CD1 4.18Å; L22-L54 HydrophobicContact CD1-CD2 3.99Å; L22-L54 HydrophobicContact CD1-CG 3.68Å; L22-L54 HydrophobicContact CD2-CD1 4.02Å; L22-L54 HydrophobicContact CD2-CD2 4.26Å; L22-L54 HydrophobicContact CD2-CG 4.27Å
23S97.3Very high96.2Very high4 Ų464.6 Ų64.63%0.02837%0.368CS..Hα-helixtrans-80.8-20.5-176.860.40000114.8Q19 K20 G25 I26 C27 Q29Q19-S23 VanDerWaalsContact O-CB 3.22Å; Q19-S23 WeakPolarHBondContact O-CB 3.38Å; Q19-S23 PolarHBondContact O-N 3.31Å; Q19-S23 PolarHBondContact O-OG 2.64Å; K20-S23 PolarHBondContact O-N 3.3Å; K20-S23 PolarHBondContact O-OG 3.14Å; S23-G25 PolarHBondContact O-N 3.08Å; S23-I26 PolarHBondContact O-N 3.5Å; S23-C27 WeakPolarHBondContact CB-O 3.34Å; S23-C27 PolarHBondContact O-N 2.76Å; S23-Q29 WeakPolarHBondContact OG-CA 3.4Å
24Q96.9Very high96.2Very high124 Ų12462.5 Ų62.558%0.57936%0.357SS*.THydrogen-bonded Turntrans-48.8115.7-170.4-177.359.932.400114.5K20 I26 R53K20-Q24 PolarHBondContact O-N 3.15Å; K20-Q24 VanDerWaalsContact O-N 3.16Å; Q24-I26 PolarHBondContact O-N 2.92Å; Q24-R53 PolarHBondContact O-NH1 3.41Å; Q24-R53 PolarHBondContact O-NH2 3.21Å
25G96.3Very high96.4Very high79 Ų7955.6 Ų55.681%0.81432%0.324SS*.THydrogen-bonded Turntrans70.711.5179.800000115.3S23S23-G25 PolarHBondContact O-N 3.08Å
26I96.3Very high96.5Very high34 Ų3451.3 Ų51.317%0.17430%0.304CS..THydrogen-bonded Turntrans-116.3-55.8174.1-57.2173.7000109.8S23 Q24 V46 Q49 L50 R53S23-I26 PolarHBondContact O-N 3.5Å; Q24-I26 PolarHBondContact O-N 2.92Å; I26-V46 HydrophobicContact CG2-CG1 4.17Å; I26-Q49 HydrophobicContact CB-CB 4.42Å; I26-Q49 HydrophobicContact CD1-CB 3.7Å; I26-Q49 WeakPolarHBondContact CD1-O 3.25Å; I26-Q49 HydrophobicContact CG1-CB 3.86Å; I26-Q49 HydrophobicContact CG2-CB 3.71Å; I26-L50 HydrophobicContact CD1-CD2 4.03Å; I26-L50 HydrophobicContact CD1-CG 4.45Å; I26-L50 HydrophobicContact CG2-CD2 4.28Å; I26-L50 HydrophobicContact CG2-CG 4.23Å; I26-R53 HydrophobicContact CD1-CB 4.49Å; I26-R53 VanDerWaalsContact CD1-CZ 3.42Å
27C95.8Very high96.5Very high27 Ų2751.2 Ų51.218%0.18229%0.288CS..SBendtrans-148.6176.7177.764.20000109.7S23 V31S23-C27 WeakPolarHBondContact CB-O 3.34Å; S23-C27 PolarHBondContact O-N 2.76Å; C27-V31 HydrophobicContact CB-CB 4.09Å; C27-V31 HydrophobicContact CB-CG1 3.76Å
28S96.4Very high96.2Very high58 Ų5852.5 Ų52.541%0.40630%0.296SS..  trans-75.6153.8172.267.60000110.7S30 V31 L32S28-S30 PolarHBondContact O-N 2.94Å; S28-S30 PolarHBondContact OG-OG 3.21Å; S28-S30 VanDerWaalsContact OG-OG 3.07Å; S28-V31 WeakPolarHBondContact O-CB 3.02Å; S28-V31 PolarHBondContact O-N 3.39Å; S28-V31 VanDerWaalsContact O-N 3.09Å; S28-V31 WeakPolarHBondContact OG-CB 3.18Å; S28-V31 WeakPolarHBondContact OG-CG2 3.46Å; S28-V31 PolarHBondContact OG-N 2.59Å; S28-V31 VanDerWaalsContact OG-N 3.16Å; S28-L32 PolarHBondContact O-N 2.95Å
29Q96.8Very high96Very high98 Ų9855.5 Ų55.546%0.45831%0.305SS..Hα-helixtrans-55.6-35.4174.4-174.4-175.4-9.800111.9Q19 S23 L32 S33Q19-Q29 HydrophobicContact CB-CG 3.77Å; S23-Q29 WeakPolarHBondContact OG-CA 3.4Å; Q29-L32 PolarHBondContact O-N 3.31Å; Q29-S33 PolarHBondContact O-N 2.93Å
30S96.8Very high95.7Very high65 Ų6556.7 Ų56.746%0.45531%0.311SS..Hα-helixtrans-69.7-39.3177.764.50000112.4S28 S33 R34S28-S30 PolarHBondContact O-N 2.94Å; S28-S30 PolarHBondContact OG-OG 3.21Å; S28-S30 VanDerWaalsContact OG-OG 3.07Å; S30-S33 PolarHBondContact O-N 3.08Å; S30-R34 WeakPolarHBondContact O-CG 3.49Å; S30-R34 PolarHBondContact O-N 3.35Å
31V96.1Very high95.3Very high25 Ų2558.5 Ų58.515%0.15233%0.325CS..Hα-helixtrans-59.6-49171.2167.10000110.3C27 S28 S33 R34 I35 E40C27-V31 HydrophobicContact CB-CB 4.09Å; C27-V31 HydrophobicContact CB-CG1 3.76Å; S28-V31 WeakPolarHBondContact O-CB 3.02Å; S28-V31 PolarHBondContact O-N 3.39Å; S28-V31 VanDerWaalsContact O-N 3.09Å; S28-V31 WeakPolarHBondContact OG-CB 3.18Å; S28-V31 WeakPolarHBondContact OG-CG2 3.46Å; S28-V31 PolarHBondContact OG-N 2.59Å; S28-V31 VanDerWaalsContact OG-N 3.16Å; V31-S33 VanDerWaalsContact C-N 3.3Å; V31-S33 PolarHBondContact O-N 3.36Å; V31-R34 PolarHBondContact O-N 3.23Å; V31-R34 VanDerWaalsContact O-N 3.12Å; V31-I35 HydrophobicContact CG1-CD1 3.71Å; V31-I35 HydrophobicContact CG1-CG1 4.34Å; V31-I35 WeakPolarHBondContact O-CG1 3.31Å; V31-I35 PolarHBondContact O-N 3.3Å; V31-E40 WeakPolarHBondContact CG1-OE1 3.37Å
32L97.3Very high94.9Very high0 Ų055.2 Ų55.20%031%0.308CS..Hα-helixtrans-59.6-40.9177.8-178.962.9000112L8 Q19 L22 S28 Q29 R34 I35 E36 L50L8-L32 HydrophobicContact CD2-CD1 3.78Å; Q19-L32 HydrophobicContact CB-CD2 4.02Å; Q19-L32 HydrophobicContact CG-CD2 4.31Å; Q19-L32 VanDerWaalsContact O-CD2 3.3Å; Q19-L32 WeakPolarHBondContact O-CD2 3.46Å; L22-L32 HydrophobicContact CB-CD2 3.8Å; L22-L32 HydrophobicContact CD2-CD1 4.25Å; L22-L32 HydrophobicContact CD2-CD2 3.99Å; L22-L32 HydrophobicContact CG-CD2 3.94Å; S28-L32 PolarHBondContact O-N 2.95Å; Q29-L32 PolarHBondContact O-N 3.31Å; L32-R34 VanDerWaalsContact C-N 3.33Å; L32-R34 PolarHBondContact O-N 3.3Å; L32-I35 WeakPolarHBondContact O-CB 3.36Å; L32-I35 PolarHBondContact O-N 3.02Å; L32-E36 HydrophobicContact CD1-CG 4.29Å; L32-E36 HydrophobicContact CG-CG 4.44Å; L32-E36 WeakPolarHBondContact O-CB 3.45Å; L32-E36 WeakPolarHBondContact O-CG 3.42Å; L32-E36 PolarHBondContact O-N 3.4Å; L32-L50 HydrophobicContact CD1-CD1 4.09Å; L32-L50 HydrophobicContact CD1-CD2 4.06Å
33S97Very high94.6Very high34 Ų3459.6 Ų59.624%0.23833%0.331CS..Hα-helixtrans-61.8-40.8176-171.40000112.6Q29 S30 V31 E36 N37Q29-S33 PolarHBondContact O-N 2.93Å; S30-S33 PolarHBondContact O-N 3.08Å; V31-S33 VanDerWaalsContact C-N 3.3Å; V31-S33 PolarHBondContact O-N 3.36Å; S33-E36 PolarHBondContact O-N 2.98Å; S33-N37 WeakPolarHBondContact O-CB 3.37Å; S33-N37 VanDerWaalsContact O-CG 3.3Å; S33-N37 PolarHBondContact O-N 3.26Å; S33-N37 PolarHBondContact O-ND2 3.3Å
34R96.3Very high94.2Very high86 Ų8663.4 Ų63.433%0.32535%0.351SS..Hα-helixtrans-67.1-39.9176.1-70.1-167.2-60.4-86.1-0.6111.7S30 V31 L32 N37 N38 E39 E40S30-R34 WeakPolarHBondContact O-CG 3.49Å; S30-R34 PolarHBondContact O-N 3.35Å; V31-R34 PolarHBondContact O-N 3.23Å; V31-R34 VanDerWaalsContact O-N 3.12Å; L32-R34 VanDerWaalsContact C-N 3.33Å; L32-R34 PolarHBondContact O-N 3.3Å; R34-N37 CarbonylContact O-C 3.4Å; R34-N37 PolarHBondContact O-N 3.44Å; R34-N38 PolarHBondContact O-N 3.36Å; R34-N38 VanDerWaalsContact O-N 3.1Å; R34-E39 HydrophobicContact CB-CB 3.99Å; R34-E39 HydrophobicContact CG-CB 4.33Å; R34-E39 WeakPolarHBondContact CG-OE2 3.38Å; R34-E39 PolarHBondContact O-N 3.4Å; R34-E40 HydrophobicContact CB-CB 3.71Å; R34-E40 IonicContact CZ-OE2 3.64Å; R34-E40 IonicContact NE-OE2 3.16Å; R34-E40 PolarHBondContact NE-OE2 3.03Å; R34-E40 IonicContact NH2-OE2 3.72Å; R34-E40 PolarHBondContact NH2-OE2 3.05Å; R34-E40 PolarHBondContact O-N 3.04Å
35I95.3Very high94.1Very high3 Ų364.7 Ų64.72%0.01535%0.354CS..Hα-helixtrans-57.2-51.7172.2-66.5162.7000109.8G5 L8 V31 L32 N37 N38 E40 P42 V46G5-I35 WeakPolarHBondContact CA-O 3.14Å; L8-I35 HydrophobicContact CD2-CG2 3.86Å; V31-I35 HydrophobicContact CG1-CD1 3.71Å; V31-I35 HydrophobicContact CG1-CG1 4.34Å; V31-I35 WeakPolarHBondContact O-CG1 3.31Å; V31-I35 PolarHBondContact O-N 3.3Å; L32-I35 WeakPolarHBondContact O-CB 3.36Å; L32-I35 PolarHBondContact O-N 3.02Å; I35-N37 PolarHBondContact O-N 3.43Å; I35-N38 WeakPolarHBondContact O-CA 3.36Å; I35-N38 PolarHBondContact O-N 2.96Å; I35-E40 WeakPolarHBondContact CA-O 3.32Å; I35-E40 HydrophobicContact CG1-CB 4.26Å; I35-E40 HydrophobicContact CG1-CG 4.47Å; I35-P42 HydrophobicContact CD1-CB 3.72Å; I35-P42 HydrophobicContact CD1-CG 4.25Å; I35-P42 HydrophobicContact CG1-CB 4.06Å; I35-P42 HydrophobicContact CG1-CG 4.19Å; I35-P42 HydrophobicContact CG2-CG 3.87Å; I35-V46 HydrophobicContact CD1-CG1 4.15Å
36E95.5Very high94Very high0 Ų062 Ų620%032%0.322CS..Hα-helixtrans-63.3-26.5-177.9-74.7-174.4169.600114.1G5 L8 K9 R12 Q19 L32 S33G5-E36 CarbonylContact C-O 3.31Å; G5-E36 WeakPolarHBondContact O-CA 3.48Å; L8-E36 HydrophobicContact CD2-CG 4.45Å; K9-E36 HydrophobicContact CB-CB 4.1Å; K9-E36 HydrophobicContact CB-CG 3.9Å; K9-E36 HydrophobicContact CD-CB 4.31Å; K9-E36 HydrophobicContact CG-CB 4.41Å; K9-E36 HydrophobicContact CG-CG 4.41Å; R12-E36 WeakPolarHBondContact CD-OE1 3.4Å; R12-E36 IonicContact CZ-OE1 3.49Å; R12-E36 IonicContact CZ-OE2 3.48Å; R12-E36 IonicContact NE-OE1 2.75Å; R12-E36 PolarHBondContact NE-OE1 3.08Å; R12-E36 IonicContact NE-OE2 2.74Å; R12-E36 PolarHBondContact NE-OE2 2.9Å; R12-E36 IonicContact NH2-OE1 2.8Å; R12-E36 PolarHBondContact NH2-OE1 3Å; R12-E36 IonicContact NH2-OE2 2.74Å; R12-E36 PolarHBondContact NH2-OE2 3.42Å; Q19-E36 PolarHBondContact NE2-OE2 2.85Å; L32-E36 HydrophobicContact CD1-CG 4.29Å; L32-E36 HydrophobicContact CG-CG 4.44Å; L32-E36 WeakPolarHBondContact O-CB 3.45Å; L32-E36 WeakPolarHBondContact O-CG 3.42Å; L32-E36 PolarHBondContact O-N 3.4Å; S33-E36 PolarHBondContact O-N 2.98Å
37N94.1Very high93.9Very high66 Ų6661.2 Ų61.235%0.35332%0.318SS..THydrogen-bonded Turntrans-94.15.9175.5-64.2-27.9000112.7K9 S33 R34 I35 E39K9-N37 PolarHBondContact NZ-OD1 3.36Å; S33-N37 WeakPolarHBondContact O-CB 3.37Å; S33-N37 VanDerWaalsContact O-CG 3.3Å; S33-N37 PolarHBondContact O-N 3.26Å; S33-N37 PolarHBondContact O-ND2 3.3Å; R34-N37 CarbonylContact O-C 3.4Å; R34-N37 PolarHBondContact O-N 3.44Å; I35-N37 PolarHBondContact O-N 3.43Å; N37-E39 HydrophobicContact CB-CG 4.09Å; N37-E39 PolarHBondContact O-N 2.89Å
38N89.5Confident93.8Very high76 Ų7664 Ų6441%0.40633%0.328SS..THydrogen-bonded Turntrans61.326.2-178.7-46.3-68.8000114.3A3 G5 R34 I35A3-N38 HydrophobicContact CB-CB 4.04Å; A3-N38 WeakPolarHBondContact CB-ND2 3.4Å; A3-N38 WeakPolarHBondContact CB-OD1 3.44Å; G5-N38 VanDerWaalsContact CA-OD1 3.29Å; G5-N38 WeakPolarHBondContact CA-OD1 3.47Å; G5-N38 PolarHBondContact N-OD1 3.07Å; R34-N38 PolarHBondContact O-N 3.36Å; R34-N38 VanDerWaalsContact O-N 3.1Å; I35-N38 WeakPolarHBondContact O-CA 3.36Å; I35-N38 PolarHBondContact O-N 2.96Å
39E92.5Very high93.8Very high137 Ų13766.1 Ų66.164%0.6433%0.332SS*.SBendtrans-90.3-16176-63.1169.6-175.400112R34 N37R34-E39 HydrophobicContact CB-CB 3.99Å; R34-E39 HydrophobicContact CG-CB 4.33Å; R34-E39 WeakPolarHBondContact CG-OE2 3.38Å; R34-E39 PolarHBondContact O-N 3.4Å; N37-E39 HydrophobicContact CB-CG 4.09Å; N37-E39 PolarHBondContact O-N 2.89Å
40E91.5Very high93.8Very high63 Ų6361.5 Ų61.529%0.29431%0.311SS..SBendtrans-137.4128.7178.5-173.3168.6158.800110.4V31 R34 I35 P42V31-E40 WeakPolarHBondContact CG1-OE1 3.37Å; R34-E40 HydrophobicContact CB-CB 3.71Å; R34-E40 IonicContact CZ-OE2 3.64Å; R34-E40 IonicContact NE-OE2 3.16Å; R34-E40 PolarHBondContact NE-OE2 3.03Å; R34-E40 IonicContact NH2-OE2 3.72Å; R34-E40 PolarHBondContact NH2-OE2 3.05Å; R34-E40 PolarHBondContact O-N 3.04Å; I35-E40 WeakPolarHBondContact CA-O 3.32Å; I35-E40 HydrophobicContact CG1-CB 4.26Å; I35-E40 HydrophobicContact CG1-CG 4.47Å; E40-P42 VanDerWaalsContact O-CD 3.31Å; E40-P42 WeakPolarHBondContact O-CD 3.46Å
41I88.1Confident93.7Very high165 Ų16558.5 Ų58.585%0.84629%0.29SS*.  trans-87.6111.6175.1-59.4174000107.8
42P88.9Confident93.7Very high15 Ų1564.4 Ų64.410%0.09732%0.315CS..  trans-70.9149.2178.628-31.4000111.1I35 E40 V46 I47I35-P42 HydrophobicContact CD1-CB 3.72Å; I35-P42 HydrophobicContact CD1-CG 4.25Å; I35-P42 HydrophobicContact CG1-CB 4.06Å; I35-P42 HydrophobicContact CG1-CG 4.19Å; I35-P42 HydrophobicContact CG2-CG 3.87Å; E40-P42 VanDerWaalsContact O-CD 3.31Å; E40-P42 WeakPolarHBondContact O-CD 3.46Å; P42-V46 HydrophobicContact CB-CB 4.18Å; P42-V46 HydrophobicContact CB-CG1 3.95Å; P42-I47 HydrophobicContact CB-CG1 3.94Å; P42-I47 HydrophobicContact CG-CD1 3.9Å; P42-I47 HydrophobicContact CG-CG1 3.56Å
43N91Very high93.7Very high92 Ų9268.4 Ų68.449%0.49233%0.33SS..  trans-72.2162.4167.871.449.5000111F45 V46 I47N43-F45 VanDerWaalsContact C-N 3.25Å; N43-F45 PolarHBondContact O-N 3.37Å; N43-F45 WeakPolarHBondContact OD1-CB 3.31Å; N43-F45 PolarHBondContact OD1-N 3.38Å; N43-V46 PolarHBondContact O-N 3.26Å; N43-V46 VanDerWaalsContact O-N 3.13Å; N43-V46 PolarHBondContact OD1-N 3.13Å; N43-I47 PolarHBondContact O-N 2.87Å; N43-I47 VanDerWaalsContact O-N 3.09Å
44I90.6Very high93.6Very high85 Ų8567 Ų6744%0.43632%0.32SS..Hα-helixtrans-60.4-32.4-175.5-167.959.5000113.4I47 Q48 I58I44-I47 PolarHBondContact O-N 2.92Å; I44-Q48 HydrophobicContact CG1-CG 4.48Å; I44-Q48 WeakPolarHBondContact O-CB 3.38Å; I44-Q48 VanDerWaalsContact O-CG 3.26Å; I44-Q48 WeakPolarHBondContact O-CG 3.2Å; I44-Q48 PolarHBondContact O-N 3.36Å; I44-I58 HydrophobicContact CD1-CD1 4Å
45F93.9Very high93.3Very high150 Ų15066.1 Ų66.166%0.65834%0.338SS*.Hα-helixtrans-67.7-41.2177.8-64.3-75.8000111.6N43 Q48 Q49N43-F45 VanDerWaalsContact C-N 3.25Å; N43-F45 PolarHBondContact O-N 3.37Å; N43-F45 WeakPolarHBondContact OD1-CB 3.31Å; N43-F45 PolarHBondContact OD1-N 3.38Å; F45-Q48 PolarHBondContact O-N 3.16Å; F45-Q49 VanDerWaalsContact O-CG 3.22Å; F45-Q49 WeakPolarHBondContact O-CG 3.45Å; F45-Q49 PolarHBondContact O-N 2.89Å
46V95.2Very high93.2Very high23 Ų2366.8 Ų66.814%0.13934%0.342CS..Hα-helixtrans-63.3-47.1174.8171.60000110I26 I35 P42 N43 Q48 Q49 L50I26-V46 HydrophobicContact CG2-CG1 4.17Å; I35-V46 HydrophobicContact CD1-CG1 4.15Å; P42-V46 HydrophobicContact CB-CB 4.18Å; P42-V46 HydrophobicContact CB-CG1 3.95Å; N43-V46 PolarHBondContact O-N 3.26Å; N43-V46 VanDerWaalsContact O-N 3.13Å; N43-V46 PolarHBondContact OD1-N 3.13Å; V46-Q48 PolarHBondContact O-N 3.16Å; V46-Q49 PolarHBondContact O-N 2.94Å; V46-L50 HydrophobicContact CG1-CD1 3.64Å; V46-L50 HydrophobicContact CG1-CG 4.26Å; V46-L50 WeakPolarHBondContact O-CG 3.48Å; V46-L50 PolarHBondContact O-N 3.4Å
47I93.5Very high92.9Very high17 Ų1770.3 Ų70.39%0.08736%0.363CS..Hα-helixtrans-56.4-50.2176.1-65.5178.3000110.8I4 P42 N43 I44 Q49 L50 C51 I58 L61I4-I47 HydrophobicContact CD1-CD1 4.04Å; P42-I47 HydrophobicContact CB-CG1 3.94Å; P42-I47 HydrophobicContact CG-CD1 3.9Å; P42-I47 HydrophobicContact CG-CG1 3.56Å; N43-I47 PolarHBondContact O-N 2.87Å; N43-I47 VanDerWaalsContact O-N 3.09Å; I44-I47 PolarHBondContact O-N 2.92Å; I47-Q49 VanDerWaalsContact C-N 3.32Å; I47-Q49 PolarHBondContact O-N 3.27Å; I47-L50 PolarHBondContact O-N 3.39Å; I47-C51 WeakPolarHBondContact O-CB 3.48Å; I47-C51 PolarHBondContact O-N 3.08Å; I47-C51 PolarHBondContact O-SG 3.2Å; I47-C51 VanDerWaalsContact O-SG 3.37Å; I47-I58 HydrophobicContact CG2-CG1 4.44Å; I47-I58 HydrophobicContact CG2-CG2 4.23Å; I47-L61 HydrophobicContact CG2-CD2 3.78Å
48Q94Very high92.6Very high85 Ų8568.9 Ų68.940%0.39736%0.355SS..Hα-helixtrans-56-45.8-179.9-82.1173.5-1000112.5I44 F45 V46 H52 I58I44-Q48 HydrophobicContact CG1-CG 4.48Å; I44-Q48 WeakPolarHBondContact O-CB 3.38Å; I44-Q48 VanDerWaalsContact O-CG 3.26Å; I44-Q48 WeakPolarHBondContact O-CG 3.2Å; I44-Q48 PolarHBondContact O-N 3.36Å; F45-Q48 PolarHBondContact O-N 3.16Å; V46-Q48 PolarHBondContact O-N 3.16Å; Q48-H52 VanDerWaalsContact O-CB 3.29Å; Q48-H52 WeakPolarHBondContact O-CB 3.22Å; Q48-H52 PolarHBondContact O-N 3.42Å; Q48-I58 HydrophobicContact CG-CD1 3.43Å; Q48-I58 VanDerWaalsContact CG-CD1 3.43Å; Q48-I58 HydrophobicContact CG-CG1 4.27Å
49Q96.7Very high92.1Very high103 Ų10369.7 Ų69.748%0.48136%0.359SS..Hα-helixtrans-68.7-38.6-179.6-67.8-67.9-18.900112I26 F45 V46 I47 H52 R53I26-Q49 HydrophobicContact CB-CB 4.42Å; I26-Q49 HydrophobicContact CD1-CB 3.7Å; I26-Q49 WeakPolarHBondContact CD1-O 3.25Å; I26-Q49 HydrophobicContact CG1-CB 3.86Å; I26-Q49 HydrophobicContact CG2-CB 3.71Å; F45-Q49 VanDerWaalsContact O-CG 3.22Å; F45-Q49 WeakPolarHBondContact O-CG 3.45Å; F45-Q49 PolarHBondContact O-N 2.89Å; V46-Q49 PolarHBondContact O-N 2.94Å; I47-Q49 VanDerWaalsContact C-N 3.32Å; I47-Q49 PolarHBondContact O-N 3.27Å; Q49-H52 PolarHBondContact O-N 3.12Å; Q49-R53 WeakPolarHBondContact O-CB 3.45Å; Q49-R53 PolarHBondContact O-N 3.09Å
50L96.7Very high91.7Very high2 Ų266.8 Ų66.81%0.0135%0.346CS..Hα-helixtrans-65.6-46.8175.7-66.1168.1000111L8 L22 I26 L32 V46 I47 H52 R53 L54L8-L50 HydrophobicContact CD1-CB 4.29Å; L8-L50 HydrophobicContact CD2-CD1 3.98Å; L22-L50 HydrophobicContact CD1-CD2 4Å; L22-L50 HydrophobicContact CD2-CD2 4.26Å; L22-L50 HydrophobicContact CG-CD2 3.71Å; I26-L50 HydrophobicContact CD1-CD2 4.03Å; I26-L50 HydrophobicContact CD1-CG 4.45Å; I26-L50 HydrophobicContact CG2-CD2 4.28Å; I26-L50 HydrophobicContact CG2-CG 4.23Å; L32-L50 HydrophobicContact CD1-CD1 4.09Å; L32-L50 HydrophobicContact CD1-CD2 4.06Å; V46-L50 HydrophobicContact CG1-CD1 3.64Å; V46-L50 HydrophobicContact CG1-CG 4.26Å; V46-L50 WeakPolarHBondContact O-CG 3.48Å; V46-L50 PolarHBondContact O-N 3.4Å; I47-L50 PolarHBondContact O-N 3.39Å; L50-H52 PolarHBondContact O-N 3.17Å; L50-R53 PolarHBondContact O-N 3.02Å; L50-L54 WeakPolarHBondContact O-CG 3.43Å; L50-L54 PolarHBondContact O-N 2.92Å
51C94.8Very high91.4Very high2 Ų263.9 Ų63.91%0.01433%0.332CS..Hα-helixtrans-57.2-47.6173.8-75.60000111.5I47 R53 L54 G55 I56 L61I47-C51 WeakPolarHBondContact O-CB 3.48Å; I47-C51 PolarHBondContact O-N 3.08Å; I47-C51 PolarHBondContact O-SG 3.2Å; I47-C51 VanDerWaalsContact O-SG 3.37Å; C51-R53 VanDerWaalsContact C-N 3.3Å; C51-R53 PolarHBondContact O-N 3.09Å; C51-L54 CarbonylContact O-C 3.56Å; C51-L54 PolarHBondContact O-N 3.46Å; C51-L54 VanDerWaalsContact O-N 3.13Å; C51-G55 PolarHBondContact O-N 2.88Å; C51-I56 CarbonylContact C-O 3.56Å; C51-I56 VanDerWaalsContact C-O 3.31Å; C51-I56 HydrophobicContact CB-CG1 4.09Å; C51-I56 WeakPolarHBondContact CB-O 3.22Å; C51-I56 PolarHBondContact O-N 3.18Å; C51-I56 VanDerWaalsContact O-O 3.07Å; C51-L61 VanDerWaalsContact SG-CD2 3.6Å
52H95.5Very high91.1Very high148 Ų14858.7 Ų58.769%0.68531%0.305SS*.Hα-helixtrans-57.9-43.6177.6-178.268.3000111.8Q48 Q49 L50 L54 G55Q48-H52 VanDerWaalsContact O-CB 3.29Å; Q48-H52 WeakPolarHBondContact O-CB 3.22Å; Q48-H52 PolarHBondContact O-N 3.42Å; Q49-H52 PolarHBondContact O-N 3.12Å; L50-H52 PolarHBondContact O-N 3.17Å; H52-L54 VanDerWaalsContact C-N 3.34Å; H52-L54 PolarHBondContact O-N 3.35Å; H52-G55 PolarHBondContact O-N 3.27Å; H52-G55 VanDerWaalsContact O-N 3.11Å
53R96.2Very high90.3Very high85 Ų8559.5 Ų59.532%0.32131%0.309SS..Hα-helixtrans-66.2-35.2177-175.8162.8-64.4157.6-1.9113.3D21 L22 Q24 I26 Q49 L50 C51 G55D21-R53 WeakPolarHBondContact O-CD 3.37Å; L22-R53 HydrophobicContact CD1-CB 3.98Å; L22-R53 HydrophobicContact CD1-CG 3.97Å; L22-R53 WeakPolarHBondContact O-CD 3.49Å; L22-R53 PolarHBondContact O-NH1 3.36Å; Q24-R53 PolarHBondContact O-NH1 3.41Å; Q24-R53 PolarHBondContact O-NH2 3.21Å; I26-R53 HydrophobicContact CD1-CB 4.49Å; I26-R53 VanDerWaalsContact CD1-CZ 3.42Å; Q49-R53 WeakPolarHBondContact O-CB 3.45Å; Q49-R53 PolarHBondContact O-N 3.09Å; L50-R53 PolarHBondContact O-N 3.02Å; C51-R53 VanDerWaalsContact C-N 3.3Å; C51-R53 PolarHBondContact O-N 3.09Å; R53-G55 PolarHBondContact O-N 3.42Å
54L95Very high89.2Confident3 Ų357 Ų572%0.01630%0.295CS..Hα-helixtrans-76.5-6.7174.4-71.1168.4000113.1L8 F11 R12 H15 M17 L22 L50 C51 H52 I56L8-L54 HydrophobicContact CD1-CD1 3.55Å; F11-L54 HydrophobicContact CB-CD1 4.08Å; R12-L54 HydrophobicContact CB-CD2 4.33Å; H15-L54 HydrophobicContact CB-CD2 4.38Å; H15-L54 PolarHBondContact NE2-O 3.5Å; M17-L54 HydrophobicContact SD-CD2 3.96Å; L22-L54 HydrophobicContact CD1-CD1 4.18Å; L22-L54 HydrophobicContact CD1-CD2 3.99Å; L22-L54 HydrophobicContact CD1-CG 3.68Å; L22-L54 HydrophobicContact CD2-CD1 4.02Å; L22-L54 HydrophobicContact CD2-CD2 4.26Å; L22-L54 HydrophobicContact CD2-CG 4.27Å; L50-L54 WeakPolarHBondContact O-CG 3.43Å; L50-L54 PolarHBondContact O-N 2.92Å; C51-L54 CarbonylContact O-C 3.56Å; C51-L54 PolarHBondContact O-N 3.46Å; C51-L54 VanDerWaalsContact O-N 3.13Å; H52-L54 VanDerWaalsContact C-N 3.34Å; H52-L54 PolarHBondContact O-N 3.35Å; L54-I56 HydrophobicContact CB-CD1 4.26Å; L54-I56 HydrophobicContact CB-CG1 3.98Å; L54-I56 HydrophobicContact CB-CG2 4.49Å; L54-I56 HydrophobicContact CD1-CD1 4.18Å; L54-I56 PolarHBondContact O-N 2.73Å
55G91.8Very high88.1Confident69 Ų6956.9 Ų56.971%0.71129%0.291SS*.THydrogen-bonded Turntrans68.322.6-175.200000113.7C51 H52 R53C51-G55 PolarHBondContact O-N 2.88Å; H52-G55 PolarHBondContact O-N 3.27Å; H52-G55 VanDerWaalsContact O-N 3.11Å; R53-G55 PolarHBondContact O-N 3.42Å
56I91.4Very high86.8Confident17 Ų1750.9 Ų50.99%0.08727%0.266CS..  trans-114.215817869.1177.7000111.1F11 C51 L54 Q60 L61F11-I56 HydrophobicContact CB-CD1 4.17Å; F11-I56 HydrophobicContact CD1-CD1 4.04Å; F11-I56 HydrophobicContact CD1-CG2 3.98Å; F11-I56 HydrophobicContact CD2-CD1 3.62Å; F11-I56 HydrophobicContact CE1-CD1 4.32Å; F11-I56 HydrophobicContact CE1-CG2 3.99Å; F11-I56 HydrophobicContact CE2-CD1 3.93Å; F11-I56 HydrophobicContact CG-CD1 3.68Å; F11-I56 HydrophobicContact CZ-CD1 4.27Å; C51-I56 CarbonylContact C-O 3.56Å; C51-I56 VanDerWaalsContact C-O 3.31Å; C51-I56 HydrophobicContact CB-CG1 4.09Å; C51-I56 WeakPolarHBondContact CB-O 3.22Å; C51-I56 PolarHBondContact O-N 3.18Å; C51-I56 VanDerWaalsContact O-O 3.07Å; L54-I56 HydrophobicContact CB-CD1 4.26Å; L54-I56 HydrophobicContact CB-CG1 3.98Å; L54-I56 HydrophobicContact CB-CG2 4.49Å; L54-I56 HydrophobicContact CD1-CD1 4.18Å; L54-I56 PolarHBondContact O-N 2.73Å; I56-Q60 HydrophobicContact CB-CB 4.27Å; I56-L61 HydrophobicContact CD1-CB 4.1Å; I56-L61 HydrophobicContact CD1-CD1 4.42Å
57T89.5Confident85.7Confident73 Ų7353.8 Ų53.845%0.44829%0.286SS..  trans-84.7159.5170.458.10000110.9D59 Q60 L61T57-D59 PolarHBondContact O-N 3.4Å; T57-Q60 WeakPolarHBondContact O-CB 3.46Å; T57-Q60 PolarHBondContact O-N 3.44Å; T57-Q60 VanDerWaalsContact O-N 3.14Å; T57-Q60 VanDerWaalsContact OG1-CG 3.3Å; T57-Q60 WeakPolarHBondContact OG1-CG 3.35Å; T57-Q60 PolarHBondContact OG1-N 3.12Å; T57-Q60 PolarHBondContact OG1-OE1 2.96Å; T57-L61 PolarHBondContact O-N 3.15Å; T57-L61 VanDerWaalsContact O-N 3.15Å
58I88.1Confident84.7Confident36 Ų3656.7 Ų56.719%0.18530%0.299CS..Hα-helixtrans-61.4-37.6173.7-53.1176.5000110.2I44 I47 Q48 Q60 L61 M62I44-I58 HydrophobicContact CD1-CD1 4Å; I47-I58 HydrophobicContact CG2-CG1 4.44Å; I47-I58 HydrophobicContact CG2-CG2 4.23Å; Q48-I58 HydrophobicContact CG-CD1 3.43Å; Q48-I58 VanDerWaalsContact CG-CD1 3.43Å; Q48-I58 HydrophobicContact CG-CG1 4.27Å; I58-Q60 PolarHBondContact O-N 3.13Å; I58-L61 PolarHBondContact O-N 2.98Å; I58-L61 VanDerWaalsContact O-N 3.1Å; I58-M62 HydrophobicContact CG2-CE 3.62Å; I58-M62 HydrophobicContact CG2-CG 3.76Å; I58-M62 HydrophobicContact CG2-SD 3.56Å; I58-M62 VanDerWaalsContact CG2-SD 3.56Å; I58-M62 VanDerWaalsContact O-CB 3.3Å; I58-M62 WeakPolarHBondContact O-CB 3.23Å; I58-M62 WeakPolarHBondContact O-CG 3.4Å; I58-M62 PolarHBondContact O-N 2.85Å
59D80Confident83.8Confident94 Ų9458.2 Ų58.250%0.50331%0.306SS..Hα-helixtrans-62.8-28.8176.9-60.6-38.4000113T57 L63 L66T57-D59 PolarHBondContact O-N 3.4Å; D59-L63 WeakPolarHBondContact O-CA 3.47Å; D59-L63 PolarHBondContact O-N 2.94Å; D59-L66 HydrophobicContact CB-CD2 4.29Å
60Q82.6Confident82.7Confident75 Ų7557.4 Ų57.435%0.3530%0.304SS..Hα-helixtrans-73.8-41.3172.1-76.8166.1-56.100111.9F11 I56 T57 I58 M62F11-Q60 HydrophobicContact CZ-CB 4.44Å; I56-Q60 HydrophobicContact CB-CB 4.27Å; T57-Q60 WeakPolarHBondContact O-CB 3.46Å; T57-Q60 PolarHBondContact O-N 3.44Å; T57-Q60 VanDerWaalsContact O-N 3.14Å; T57-Q60 VanDerWaalsContact OG1-CG 3.3Å; T57-Q60 WeakPolarHBondContact OG1-CG 3.35Å; T57-Q60 PolarHBondContact OG1-N 3.12Å; T57-Q60 PolarHBondContact OG1-OE1 2.96Å; I58-Q60 PolarHBondContact O-N 3.13Å; Q60-M62 VanDerWaalsContact C-N 3.35Å
61L86Confident81.9Confident3 Ų357.7 Ų57.72%0.01631%0.305CS..Hα-helixtrans-66.2-40.6175.1-179.969.7000111.5I4 V7 L8 F11 I47 C51 I56 T57 I58 L63I4-L61 HydrophobicContact CD1-CD2 4.01Å; I4-L61 HydrophobicContact CD1-CG 4.42Å; I4-L61 HydrophobicContact CG1-CD2 3.99Å; I4-L61 HydrophobicContact CG1-CG 4.07Å; V7-L61 HydrophobicContact CB-CD1 4.35Å; V7-L61 HydrophobicContact CG1-CD1 4.06Å; V7-L61 WeakPolarHBondContact CG1-O 3.46Å; L8-L61 HydrophobicContact CB-CD1 3.79Å; L8-L61 HydrophobicContact CD1-CD1 4.01Å; L8-L61 HydrophobicContact CD1-CD2 4.45Å; F11-L61 HydrophobicContact CD2-CD1 4.15Å; I47-L61 HydrophobicContact CG2-CD2 3.78Å; C51-L61 VanDerWaalsContact SG-CD2 3.6Å; I56-L61 HydrophobicContact CD1-CB 4.1Å; I56-L61 HydrophobicContact CD1-CD1 4.42Å; T57-L61 PolarHBondContact O-N 3.15Å; T57-L61 VanDerWaalsContact O-N 3.15Å; I58-L61 PolarHBondContact O-N 2.98Å; I58-L61 VanDerWaalsContact O-N 3.1Å; L61-L63 VanDerWaalsContact C-N 3.25Å; L61-L63 PolarHBondContact O-N 3.34Å
62M81.8Confident81.5Confident56 Ų5657.7 Ų57.728%0.27631%0.306SS..THydrogen-bonded Turntrans-90.821.1-177.1-62.6-166.3-3700112.3I4 I58 Q60 D64 F65 L66I4-M62 HydrophobicContact CD1-CG 4.1Å; I58-M62 HydrophobicContact CG2-CE 3.62Å; I58-M62 HydrophobicContact CG2-CG 3.76Å; I58-M62 HydrophobicContact CG2-SD 3.56Å; I58-M62 VanDerWaalsContact CG2-SD 3.56Å; I58-M62 VanDerWaalsContact O-CB 3.3Å; I58-M62 WeakPolarHBondContact O-CB 3.23Å; I58-M62 WeakPolarHBondContact O-CG 3.4Å; I58-M62 PolarHBondContact O-N 2.85Å; Q60-M62 VanDerWaalsContact C-N 3.35Å; M62-D64 VanDerWaalsContact C-N 3.3Å; M62-D64 PolarHBondContact O-N 3.16Å; M62-F65 HydrophobicContact CB-CB 4.2Å; M62-F65 HydrophobicContact CB-CD2 4.42Å; M62-F65 CarbonylContact O-C 3.58Å; M62-F65 WeakPolarHBondContact O-CA 3.27Å; M62-F65 WeakPolarHBondContact O-CB 3.41Å; M62-F65 PolarHBondContact O-N 3.41Å; M62-L66 PolarHBondContact O-N 3.11Å
63L71.5Confident81Confident32 Ų3257.7 Ų57.717%0.16830%0.299CS..G310 helixtrans-47.7-54.6-173.9-170.672.4000111.6D59 L61 F65 L66 F71 K74D59-L63 WeakPolarHBondContact O-CA 3.47Å; D59-L63 PolarHBondContact O-N 2.94Å; L61-L63 VanDerWaalsContact C-N 3.25Å; L61-L63 PolarHBondContact O-N 3.34Å; L63-F65 PolarHBondContact O-N 2.99Å; L63-L66 HydrophobicContact CD1-CD1 4.17Å; L63-L66 WeakPolarHBondContact O-CB 3.39Å; L63-L66 PolarHBondContact O-N 3.5Å; L63-F71 HydrophobicContact CG-CD2 4.22Å; L63-F71 HydrophobicContact CG-CE2 4.14Å; L63-F71 WeakPolarHBondContact O-CD2 3.23Å; L63-K74 HydrophobicContact CD1-CD 3.47Å; L63-K74 VanDerWaalsContact CD1-CD 3.47Å
64D68.1Low80.5Confident38 Ų3858 Ų5820%0.20330%0.303CS..G310 helixtrans-74.1-2.7-178.3-79.318.2000113.6M62 F71 R101M62-D64 VanDerWaalsContact C-N 3.3Å; M62-D64 PolarHBondContact O-N 3.16Å; D64-F71 WeakPolarHBondContact OD1-CE2 3.46Å; D64-R101 IonicContact OD2-NH2 3.59Å; D64-R101 PolarHBondContact OD2-NH2 3.45Å
65F68.3Low80.4Confident83 Ų8359 Ų5936%0.36431%0.307SS..G310 helixtrans-113.6-0.6175.9-53.9-87.6000113.1E2 I4 M62 L63E2-F65 WeakPolarHBondContact O-CZ 3.26Å; I4-F65 HydrophobicContact CB-CE2 3.96Å; I4-F65 HydrophobicContact CB-CZ 4.07Å; I4-F65 HydrophobicContact CG1-CE2 4.43Å; M62-F65 HydrophobicContact CB-CB 4.2Å; M62-F65 HydrophobicContact CB-CD2 4.42Å; M62-F65 CarbonylContact O-C 3.58Å; M62-F65 WeakPolarHBondContact O-CA 3.27Å; M62-F65 WeakPolarHBondContact O-CB 3.41Å; M62-F65 PolarHBondContact O-N 3.41Å; L63-F65 PolarHBondContact O-N 2.99Å
66L66.5Low80.4Confident25 Ų2555.8 Ų55.813%0.13127%0.273CS..SBendtrans-59.5146.4173.7-73.8174.5000108.8D59 M62 L63 E68 L70 F71D59-L66 HydrophobicContact CB-CD2 4.29Å; M62-L66 PolarHBondContact O-N 3.11Å; L63-L66 HydrophobicContact CD1-CD1 4.17Å; L63-L66 WeakPolarHBondContact O-CB 3.39Å; L63-L66 PolarHBondContact O-N 3.5Å; L66-E68 PolarHBondContact O-N 3.16Å; L66-L70 HydrophobicContact CB-CB 4.23Å; L66-L70 HydrophobicContact CD1-CB 4.41Å; L66-L70 HydrophobicContact CD2-CD1 4.47Å; L66-F71 HydrophobicContact CB-CB 4.25Å
67P72.6Confident80.4Confident84 Ų8457.7 Ų57.755%0.54528%0.283SS..  trans-46.3134.4162-24.932.5000109E69 L70 F71P67-E69 PolarHBondContact O-N 2.93Å; P67-L70 HydrophobicContact CG-CD1 4.26Å; P67-L70 WeakPolarHBondContact O-CB 3.44Å; P67-L70 PolarHBondContact O-N 2.9Å; P67-F71 PolarHBondContact O-N 3.47Å; P67-F71 VanDerWaalsContact O-N 3.15Å
68E72.8Confident80.6Confident77 Ų7758.7 Ų58.736%0.3628%0.282SS..Hα-helixtrans-49.8-37.8-169.9-164.3171.1-174.100113.6L66 L70 F71 L72 I103 H105L66-E68 PolarHBondContact O-N 3.16Å; E68-L70 PolarHBondContact O-N 3.34Å; E68-F71 WeakPolarHBondContact O-CB 3.29Å; E68-F71 PolarHBondContact O-N 2.91Å; E68-L72 WeakPolarHBondContact O-CB 3.29Å; E68-L72 WeakPolarHBondContact O-CG 3.48Å; E68-L72 PolarHBondContact O-N 3.09Å; E68-I103 HydrophobicContact CG-CG2 3.43Å; E68-I103 VanDerWaalsContact CG-CG2 3.43Å; E68-I103 WeakPolarHBondContact OE1-CA 3.49Å; E68-I103 WeakPolarHBondContact OE1-CG2 3.18Å; E68-H105 IonicContact OE1-CD2 3.4Å; E68-H105 PolarHBondContact OE1-CD2 2.97Å; E68-H105 IonicContact OE1-CG 3.23Å; E68-H105 IonicContact OE1-NE2 2.65Å; E68-H105 PolarHBondContact OE1-NE2 3.4Å; E68-H105 IonicContact OE2-CD2 3.47Å; E68-H105 PolarHBondContact OE2-CD2 3.08Å; E68-H105 IonicContact OE2-NE2 3.89Å
69E73.4Confident81Confident118 Ų11857 Ų5755%0.55127%0.273SS*.Hα-helixtrans-61-41.5176.2-56.8-174.1177.500113.5P67 R73 L106P67-E69 PolarHBondContact O-N 2.93Å; E69-R73 VanDerWaalsContact O-CB 3.28Å; E69-R73 WeakPolarHBondContact O-CB 3.3Å; E69-R73 PolarHBondContact O-N 3.34Å; E69-L106 HydrophobicContact CG-CD1 4.03Å
70L74.8Confident81.8Confident85 Ų8552.6 Ų52.645%0.44525%0.249SC..Hα-helixtrans-72.9-38.6178.6-70.7178.8000111.1L66 P67 E68 R73 K74L66-L70 HydrophobicContact CB-CB 4.23Å; L66-L70 HydrophobicContact CD1-CB 4.41Å; L66-L70 HydrophobicContact CD2-CD1 4.47Å; P67-L70 HydrophobicContact CG-CD1 4.26Å; P67-L70 WeakPolarHBondContact O-CB 3.44Å; P67-L70 PolarHBondContact O-N 2.9Å; E68-L70 PolarHBondContact O-N 3.34Å; L70-R73 PolarHBondContact O-N 2.99Å; L70-K74 PolarHBondContact O-N 3.33Å; L70-K74 VanDerWaalsContact O-N 3.14Å
71F80.4Confident82.4Confident8 Ų853.2 Ų53.24%0.03525%0.253CS..Hα-helixtrans-58.1-56.2173.9-178.8-96.2000110.9L63 D64 L66 P67 E68 R73 K74 Y75 Y97 L98 I103L63-F71 HydrophobicContact CG-CD2 4.22Å; L63-F71 HydrophobicContact CG-CE2 4.14Å; L63-F71 WeakPolarHBondContact O-CD2 3.23Å; D64-F71 WeakPolarHBondContact OD1-CE2 3.46Å; L66-F71 HydrophobicContact CB-CB 4.25Å; P67-F71 PolarHBondContact O-N 3.47Å; P67-F71 VanDerWaalsContact O-N 3.15Å; E68-F71 WeakPolarHBondContact O-CB 3.29Å; E68-F71 PolarHBondContact O-N 2.91Å; F71-R73 VanDerWaalsContact C-N 3.33Å; F71-R73 PolarHBondContact O-N 3.12Å; F71-K74 WeakPolarHBondContact O-CB 3.34Å; F71-K74 PolarHBondContact O-N 3.03Å; F71-K74 VanDerWaalsContact O-N 3.11Å; F71-Y75 AromaticContact CD1-CD2 3.96Å; F71-Y75 HydrophobicContact CD1-CD2 3.96Å; F71-Y75 HydrophobicContact CD1-CE2 4.04Å; F71-Y75 HydrophobicContact CD2-CD2 4.38Å; F71-Y75 AromaticContact CD2-CE2 3.86Å; F71-Y75 HydrophobicContact CD2-CE2 3.86Å; F71-Y75 AromaticContact CE1-CD2 3.74Å; F71-Y75 HydrophobicContact CE1-CD2 3.74Å; F71-Y75 AromaticContact CE1-CE2 3.54Å; F71-Y75 HydrophobicContact CE1-CE2 3.54Å; F71-Y75 HydrophobicContact CE2-CD2 4.26Å; F71-Y75 AromaticContact CE2-CE2 3.41Å; F71-Y75 HydrophobicContact CE2-CE2 3.41Å; F71-Y75 VanDerWaalsContact CE2-CE2 3.41Å; F71-Y75 HydrophobicContact CG-CD2 4.31Å; F71-Y75 HydrophobicContact CG-CE2 4.21Å; F71-Y75 AromaticContact CZ-CD2 3.96Å; F71-Y75 HydrophobicContact CZ-CD2 3.96Å; F71-Y75 AromaticContact CZ-CE2 3.24Å; F71-Y75 HydrophobicContact CZ-CE2 3.24Å; F71-Y75 AromaticContact CZ-CZ 3.91Å; F71-Y75 WeakPolarHBondContact O-CD2 3.47Å; F71-Y75 PolarHBondContact O-N 3.1Å; F71-Y97 HydrophobicContact CE1-CE1 4.32Å; F71-Y97 AromaticContact CZ-CE1 3.79Å; F71-Y97 HydrophobicContact CZ-CE1 3.79Å; F71-L98 HydrophobicContact CD1-CD2 4.47Å; F71-L98 HydrophobicContact CE1-CD2 3.84Å; F71-I103 HydrophobicContact CD1-CD1 3.84Å; F71-I103 HydrophobicContact CD1-CG2 4.09Å; F71-I103 HydrophobicContact CE1-CD1 3.39Å; F71-I103 HydrophobicContact CE1-CG2 4.48Å; F71-I103 HydrophobicContact CZ-CD1 4.15Å
72L85.9Confident82.9Confident3 Ų355.3 Ų55.32%0.01626%0.261CS..Hα-helixtrans-57.1-45.1177.8-77.3176.5000112.4E68 K74 Y75 F76 L98 I103 T104 D109E68-L72 WeakPolarHBondContact O-CB 3.29Å; E68-L72 WeakPolarHBondContact O-CG 3.48Å; E68-L72 PolarHBondContact O-N 3.09Å; L72-K74 PolarHBondContact O-N 3.34Å; L72-Y75 PolarHBondContact O-N 3.15Å; L72-Y75 VanDerWaalsContact O-N 3.11Å; L72-F76 HydrophobicContact CB-CD2 4.16Å; L72-F76 HydrophobicContact CB-CE2 3.96Å; L72-F76 HydrophobicContact CD2-CE2 4.18Å; L72-F76 HydrophobicContact CG-CE2 4.49Å; L72-F76 WeakPolarHBondContact O-CD2 3.31Å; L72-F76 PolarHBondContact O-N 3.42Å; L72-L98 HydrophobicContact CD2-CD1 4.43Å; L72-L98 HydrophobicContact CD2-CD2 4.13Å; L72-I103 HydrophobicContact CD1-CG2 3.96Å; L72-I103 WeakPolarHBondContact CD1-O 3.49Å; L72-I103 HydrophobicContact CD2-CB 4.1Å; L72-I103 HydrophobicContact CD2-CG2 3.42Å; L72-I103 VanDerWaalsContact CD2-CG2 3.42Å; L72-I103 HydrophobicContact CG-CG2 3.47Å; L72-I103 VanDerWaalsContact CG-CG2 3.47Å; L72-T104 HydrophobicContact CD2-CG2 4.27Å; L72-D109 HydrophobicContact CD1-CB 3.97Å
73R84.5Confident83.6Confident148 Ų14853.4 Ų53.456%0.55825%0.252SS*.Hα-helixtrans-55-40.8178.2-176.3177.9-179.1-174.5-0.5111.5E69 L70 F71 N77E69-R73 VanDerWaalsContact O-CB 3.28Å; E69-R73 WeakPolarHBondContact O-CB 3.3Å; E69-R73 PolarHBondContact O-N 3.34Å; L70-R73 PolarHBondContact O-N 2.99Å; F71-R73 VanDerWaalsContact C-N 3.33Å; F71-R73 PolarHBondContact O-N 3.12Å; R73-N77 WeakPolarHBondContact O-CB 3.35Å; R73-N77 PolarHBondContact O-N 2.74Å; R73-N77 PolarHBondContact O-ND2 3.26Å
74K86.4Confident84.7Confident90 Ų9055.7 Ų55.739%0.39126%0.258SS..Hα-helixtrans-66-43.5178-174.4170.7168.6-176.40112.1L63 L70 F71 L72 N77 K78L63-K74 HydrophobicContact CD1-CD 3.47Å; L63-K74 VanDerWaalsContact CD1-CD 3.47Å; L70-K74 PolarHBondContact O-N 3.33Å; L70-K74 VanDerWaalsContact O-N 3.14Å; F71-K74 WeakPolarHBondContact O-CB 3.34Å; F71-K74 PolarHBondContact O-N 3.03Å; F71-K74 VanDerWaalsContact O-N 3.11Å; L72-K74 PolarHBondContact O-N 3.34Å; K74-N77 PolarHBondContact O-N 2.92Å; K74-K78 WeakPolarHBondContact O-CB 3.2Å; K74-K78 PolarHBondContact O-N 2.98Å
75Y91.5Very high85.9Confident25 Ų2559.4 Ų59.410%0.09828%0.277CS..Hα-helixtrans-69-40.3177.4-78.1-83.5000112.9F71 L72 N77 K78 M79 T94 Y97 L98F71-Y75 AromaticContact CD1-CD2 3.96Å; F71-Y75 HydrophobicContact CD1-CD2 3.96Å; F71-Y75 HydrophobicContact CD1-CE2 4.04Å; F71-Y75 HydrophobicContact CD2-CD2 4.38Å; F71-Y75 AromaticContact CD2-CE2 3.86Å; F71-Y75 HydrophobicContact CD2-CE2 3.86Å; F71-Y75 AromaticContact CE1-CD2 3.74Å; F71-Y75 HydrophobicContact CE1-CD2 3.74Å; F71-Y75 AromaticContact CE1-CE2 3.54Å; F71-Y75 HydrophobicContact CE1-CE2 3.54Å; F71-Y75 HydrophobicContact CE2-CD2 4.26Å; F71-Y75 AromaticContact CE2-CE2 3.41Å; F71-Y75 HydrophobicContact CE2-CE2 3.41Å; F71-Y75 VanDerWaalsContact CE2-CE2 3.41Å; F71-Y75 HydrophobicContact CG-CD2 4.31Å; F71-Y75 HydrophobicContact CG-CE2 4.21Å; F71-Y75 AromaticContact CZ-CD2 3.96Å; F71-Y75 HydrophobicContact CZ-CD2 3.96Å; F71-Y75 AromaticContact CZ-CE2 3.24Å; F71-Y75 HydrophobicContact CZ-CE2 3.24Å; F71-Y75 AromaticContact CZ-CZ 3.91Å; F71-Y75 WeakPolarHBondContact O-CD2 3.47Å; F71-Y75 PolarHBondContact O-N 3.1Å; L72-Y75 PolarHBondContact O-N 3.15Å; L72-Y75 VanDerWaalsContact O-N 3.11Å; Y75-N77 PolarHBondContact O-N 3.35Å; Y75-K78 WeakPolarHBondContact O-CB 3.46Å; Y75-K78 PolarHBondContact O-N 2.91Å; Y75-M79 WeakPolarHBondContact O-CG 3.34Å; Y75-M79 PolarHBondContact O-N 2.82Å; Y75-T94 HydrophobicContact CD1-CG2 3.56Å; Y75-T94 HydrophobicContact CE1-CG2 4.44Å; Y75-T94 HydrophobicContact CG-CG2 4.31Å; Y75-Y97 AromaticContact CE1-CD1 3.91Å; Y75-Y97 HydrophobicContact CE1-CD1 3.91Å; Y75-Y97 AromaticContact CE1-CE1 3.67Å; Y75-Y97 HydrophobicContact CE1-CE1 3.67Å; Y75-Y97 HydrophobicContact CE2-CE1 4Å; Y75-Y97 AromaticContact CZ-CE1 3.33Å; Y75-Y97 AromaticContact CZ-CZ 3.91Å; Y75-Y97 WeakPolarHBondContact OH-CE1 3.2Å; Y75-Y97 PolarHBondContact OH-OH 3.29Å; Y75-L98 HydrophobicContact CD2-CD2 4.08Å; Y75-L98 HydrophobicContact CG-CD2 4Å
76F92.2Very high87.3Confident2 Ų257 Ų571%0.00928%0.275CS..Hα-helixtrans-61.9-43.9173.3-71.6-54.5000111.7L72 K78 M79 F80 D109 L112 F116L72-F76 HydrophobicContact CB-CD2 4.16Å; L72-F76 HydrophobicContact CB-CE2 3.96Å; L72-F76 HydrophobicContact CD2-CE2 4.18Å; L72-F76 HydrophobicContact CG-CE2 4.49Å; L72-F76 WeakPolarHBondContact O-CD2 3.31Å; L72-F76 PolarHBondContact O-N 3.42Å; F76-K78 VanDerWaalsContact C-N 3.29Å; F76-K78 PolarHBondContact O-N 3.49Å; F76-M79 HydrophobicContact CD1-CE 3.33Å; F76-M79 HydrophobicContact CE1-CE 3.71Å; F76-M79 HydrophobicContact CG-CE 4.24Å; F76-M79 PolarHBondContact O-N 3.5Å; F76-F80 WeakPolarHBondContact O-CB 3.37Å; F76-F80 WeakPolarHBondContact O-CD2 3.45Å; F76-F80 PolarHBondContact O-N 2.97Å; F76-D109 HydrophobicContact CE2-CB 3.74Å; F76-D109 HydrophobicContact CZ-CB 4.07Å; F76-D109 WeakPolarHBondContact CZ-O 3.39Å; F76-L112 HydrophobicContact CB-CD1 4.44Å; F76-L112 HydrophobicContact CD1-CB 3.88Å; F76-L112 HydrophobicContact CD1-CD1 4.32Å; F76-L112 HydrophobicContact CD2-CD1 4.1Å; F76-L112 HydrophobicContact CE1-CB 3.66Å; F76-L112 HydrophobicContact CE2-CB 4.44Å; F76-L112 HydrophobicContact CE2-CD1 4.45Å; F76-L112 HydrophobicContact CG-CB 4.42Å; F76-L112 HydrophobicContact CG-CD1 4.05Å; F76-L112 HydrophobicContact CZ-CB 3.97Å; F76-F116 AromaticContact CD1-CD2 3.95Å; F76-F116 HydrophobicContact CD1-CD2 3.95Å; F76-F116 AromaticContact CD1-CE2 3.8Å; F76-F116 HydrophobicContact CD1-CE2 3.8Å; F76-F116 HydrophobicContact CE1-CD2 4.32Å
77N92.2Very high88.7Confident56 Ų5660.2 Ų60.230%0.29929%0.288SS..Hα-helixtrans-59.9-40.4174.4-73.4-10.8000112R73 K74 Y75 F80 M81 R195R73-N77 WeakPolarHBondContact O-CB 3.35Å; R73-N77 PolarHBondContact O-N 2.74Å; R73-N77 PolarHBondContact O-ND2 3.26Å; K74-N77 PolarHBondContact O-N 2.92Å; Y75-N77 PolarHBondContact O-N 3.35Å; N77-F80 WeakPolarHBondContact O-CB 3.42Å; N77-F80 PolarHBondContact O-N 3.29Å; N77-M81 WeakPolarHBondContact O-CG 3.09Å; N77-M81 PolarHBondContact O-N 3.5Å; N77-R195 PolarHBondContact OD1-NH1 2.68Å
78K94.1Very high90Very high94 Ų9459 Ų5941%0.40927%0.274SS..Hα-helixtrans-63.4-45.4175.2-175179.6176.8-174.70111.9K74 Y75 F76 F80 M81 Y82K74-K78 WeakPolarHBondContact O-CB 3.2Å; K74-K78 PolarHBondContact O-N 2.98Å; Y75-K78 WeakPolarHBondContact O-CB 3.46Å; Y75-K78 PolarHBondContact O-N 2.91Å; F76-K78 VanDerWaalsContact C-N 3.29Å; F76-K78 PolarHBondContact O-N 3.49Å; K78-F80 VanDerWaalsContact C-N 3.31Å; K78-F80 PolarHBondContact O-N 3.49Å; K78-M81 WeakPolarHBondContact O-CB 3.43Å; K78-M81 PolarHBondContact O-N 2.99Å; K78-Y82 HydrophobicContact CD-CE2 4.13Å; K78-Y82 WeakPolarHBondContact CE-OH 3.38Å; K78-Y82 HydrophobicContact CG-CD2 4.27Å; K78-Y82 HydrophobicContact CG-CE2 3.68Å; K78-Y82 WeakPolarHBondContact O-CD2 3.23Å; K78-Y82 PolarHBondContact O-N 2.83Å
79M96.4Very high91.2Very high0 Ų061.2 Ų61.20%029%0.287CS..Hα-helixtrans-64.3-35.2175.9-71.1-171.8-74.300112.4Y75 F76 Y82 L83 I91 T94 L95 L98 F116Y75-M79 WeakPolarHBondContact O-CG 3.34Å; Y75-M79 PolarHBondContact O-N 2.82Å; F76-M79 HydrophobicContact CD1-CE 3.33Å; F76-M79 HydrophobicContact CE1-CE 3.71Å; F76-M79 HydrophobicContact CG-CE 4.24Å; F76-M79 PolarHBondContact O-N 3.5Å; M79-Y82 PolarHBondContact O-N 2.85Å; M79-L83 WeakPolarHBondContact O-CB 3.5Å; M79-L83 PolarHBondContact O-N 2.86Å; M79-I91 HydrophobicContact CB-CG1 4.38Å; M79-I91 HydrophobicContact CB-CG2 4.4Å; M79-I91 HydrophobicContact CG-CG2 4.24Å; M79-I91 HydrophobicContact SD-CG2 3.96Å; M79-T94 HydrophobicContact CE-CG2 4.14Å; M79-T94 HydrophobicContact CG-CG2 3.56Å; M79-T94 HydrophobicContact SD-CG2 3.66Å; M79-L95 HydrophobicContact CE-CD2 4.48Å; M79-L95 HydrophobicContact SD-CD2 4.12Å; M79-L95 HydrophobicContact SD-CG 3.97Å; M79-L98 HydrophobicContact CE-CD1 3.98Å; M79-F116 HydrophobicContact CB-CD1 3.92Å; M79-F116 HydrophobicContact CB-CD2 4.32Å; M79-F116 HydrophobicContact CB-CE1 3.53Å; M79-F116 HydrophobicContact CB-CE2 3.98Å; M79-F116 HydrophobicContact CB-CG 4.3Å; M79-F116 HydrophobicContact CB-CZ 3.56Å; M79-F116 HydrophobicContact CE-CD2 3.87Å; M79-F116 HydrophobicContact CE-CE2 4.16Å; M79-F116 HydrophobicContact CE-CG 4.37Å; M79-F116 HydrophobicContact SD-CB 4.32Å; M79-F116 HydrophobicContact SD-CD1 4.46Å; M79-F116 HydrophobicContact SD-CD2 4.19Å; M79-F116 HydrophobicContact SD-CG 4.08Å
80F95.8Very high92.3Very high2 Ų258.6 Ų58.61%0.00928%0.275CS..Hα-helixtrans-63.2-42.3171.7-85.8-50.9000112.3F76 N77 K78 Y82 L83 R84 L112 F115 F116 L156 E197F76-F80 WeakPolarHBondContact O-CB 3.37Å; F76-F80 WeakPolarHBondContact O-CD2 3.45Å; F76-F80 PolarHBondContact O-N 2.97Å; N77-F80 WeakPolarHBondContact O-CB 3.42Å; N77-F80 PolarHBondContact O-N 3.29Å; K78-F80 VanDerWaalsContact C-N 3.31Å; K78-F80 PolarHBondContact O-N 3.49Å; F80-Y82 VanDerWaalsContact C-N 3.34Å; F80-Y82 PolarHBondContact O-N 3.43Å; F80-L83 HydrophobicContact CD1-CD2 4.23Å; F80-L83 WeakPolarHBondContact O-CB 3.43Å; F80-L83 PolarHBondContact O-N 3.44Å; F80-R84 WeakPolarHBondContact O-CG 3.15Å; F80-R84 PolarHBondContact O-N 3.24Å; F80-L112 HydrophobicContact CE2-CD2 4.22Å; F80-L112 HydrophobicContact CZ-CD2 3.8Å; F80-F115 HydrophobicContact CE1-CE1 4.02Å; F80-F116 HydrophobicContact CB-CZ 4.4Å; F80-F116 HydrophobicContact CD1-CE1 4.18Å; F80-F116 AromaticContact CD1-CZ 3.55Å; F80-F116 HydrophobicContact CD1-CZ 3.55Å; F80-F116 HydrophobicContact CD2-CE2 4.38Å; F80-F116 AromaticContact CD2-CZ 3.94Å; F80-F116 HydrophobicContact CD2-CZ 3.94Å; F80-F116 HydrophobicContact CE1-CE1 4.41Å; F80-F116 HydrophobicContact CE1-CE2 4.28Å; F80-F116 AromaticContact CE1-CZ 3.67Å; F80-F116 HydrophobicContact CE1-CZ 3.67Å; F80-F116 HydrophobicContact CE2-CE2 4.14Å; F80-F116 HydrophobicContact CE2-CZ 4.03Å; F80-F116 AromaticContact CG-CZ 3.7Å; F80-F116 HydrophobicContact CG-CZ 3.7Å; F80-F116 HydrophobicContact CZ-CE2 4.1Å; F80-F116 AromaticContact CZ-CZ 3.91Å; F80-F116 HydrophobicContact CZ-CZ 3.91Å; F80-L156 HydrophobicContact CE1-CD1 3.69Å; F80-L156 HydrophobicContact CZ-CD1 3.6Å; F80-E197 WeakPolarHBondContact CB-OE1 3.38Å; F80-E197 HydrophobicContact CD1-CB 4.2Å; F80-E197 HydrophobicContact CD1-CG 3.59Å; F80-E197 HydrophobicContact CE1-CB 4.27Å; F80-E197 HydrophobicContact CE1-CG 4.16Å; F80-E197 HydrophobicContact CG-CG 4.32Å
81M95.1Very high93.5Very high89 Ų8954.5 Ų54.544%0.43825%0.254SS..Hα-helixtrans-58.6-46.3171.4-68.8-61.899.900111.6N77 K78 L83 R84 I85N77-M81 WeakPolarHBondContact O-CG 3.09Å; N77-M81 PolarHBondContact O-N 3.5Å; K78-M81 WeakPolarHBondContact O-CB 3.43Å; K78-M81 PolarHBondContact O-N 2.99Å; M81-L83 VanDerWaalsContact C-N 3.32Å; M81-L83 PolarHBondContact O-N 3.46Å; M81-R84 VanDerWaalsContact CE-NE 3.34Å; M81-R84 WeakPolarHBondContact O-CB 3.49Å; M81-R84 PolarHBondContact O-N 2.95Å; M81-R84 VanDerWaalsContact O-N 3.15Å; M81-I85 WeakPolarHBondContact O-CG1 3.48Å; M81-I85 PolarHBondContact O-N 3.1Å
82Y97.5Very high94.3Very high47 Ų4757.6 Ų57.618%0.18427%0.265CS..Hα-helixtrans-60.7-39.5175.9-67.5-35.9000112.9K78 M79 F80 R84 I85 G86 K87 E90 I91K78-Y82 HydrophobicContact CD-CE2 4.13Å; K78-Y82 WeakPolarHBondContact CE-OH 3.38Å; K78-Y82 HydrophobicContact CG-CD2 4.27Å; K78-Y82 HydrophobicContact CG-CE2 3.68Å; K78-Y82 WeakPolarHBondContact O-CD2 3.23Å; K78-Y82 PolarHBondContact O-N 2.83Å; M79-Y82 PolarHBondContact O-N 2.85Å; F80-Y82 VanDerWaalsContact C-N 3.34Å; F80-Y82 PolarHBondContact O-N 3.43Å; Y82-R84 VanDerWaalsContact C-N 3.31Å; Y82-R84 PolarHBondContact O-N 2.75Å; Y82-I85 HydrophobicContact CD1-CD1 4.45Å; Y82-I85 CarbonylContact O-C 3.33Å; Y82-I85 PolarHBondContact O-N 3.12Å; Y82-G86 PolarHBondContact O-N 3.49Å; Y82-K87 HydrophobicContact CD1-CB 3.82Å; Y82-K87 HydrophobicContact CD1-CD 3.94Å; Y82-K87 HydrophobicContact CE1-CD 4.2Å; Y82-K87 HydrophobicContact CG-CB 4.11Å; Y82-K87 PolarHBondContact O-N 3.25Å; Y82-E90 HydrophobicContact CD1-CB 4.18Å; Y82-E90 HydrophobicContact CD2-CB 3.66Å; Y82-E90 HydrophobicContact CE1-CB 4.1Å; Y82-E90 HydrophobicContact CE1-CG 4.42Å; Y82-E90 HydrophobicContact CE2-CB 3.56Å; Y82-E90 HydrophobicContact CG-CB 3.98Å; Y82-I91 HydrophobicContact CD2-CG1 4.4Å
83L96.6Very high94.8Very high15 Ų1560.2 Ų60.28%0.07929%0.287CS..Hα-helixtrans-59.9-41.5174.6176.965.7000111.4M79 F80 M81 I85 G86 Y88 I91 F115 F116 V119M79-L83 WeakPolarHBondContact O-CB 3.5Å; M79-L83 PolarHBondContact O-N 2.86Å; F80-L83 HydrophobicContact CD1-CD2 4.23Å; F80-L83 WeakPolarHBondContact O-CB 3.43Å; F80-L83 PolarHBondContact O-N 3.44Å; M81-L83 VanDerWaalsContact C-N 3.32Å; M81-L83 PolarHBondContact O-N 3.46Å; L83-I85 VanDerWaalsContact C-N 3.3Å; L83-I85 PolarHBondContact O-N 2.84Å; L83-G86 PolarHBondContact O-N 3.46Å; L83-Y88 HydrophobicContact CD1-CE1 4.16Å; L83-I91 HydrophobicContact CB-CD1 4.05Å; L83-F115 HydrophobicContact CD2-CE1 3.94Å; L83-F115 HydrophobicContact CD2-CZ 4Å; L83-F116 HydrophobicContact CB-CE1 4.46Å; L83-V119 HydrophobicContact CD1-CG1 3.88Å; L83-V119 HydrophobicContact CD1-CG2 4.29Å
84R94.5Very high95.3Very high80 Ų8053.7 Ų53.730%0.30226%0.264SS..Hα-helixtrans-62.3-36.8179.7-66.8-177.6-167.6-170.32.6112.9F80 M81 Y82 S196 E197 Y236F80-R84 WeakPolarHBondContact O-CG 3.15Å; F80-R84 PolarHBondContact O-N 3.24Å; M81-R84 VanDerWaalsContact CE-NE 3.34Å; M81-R84 WeakPolarHBondContact O-CB 3.49Å; M81-R84 PolarHBondContact O-N 2.95Å; M81-R84 VanDerWaalsContact O-N 3.15Å; Y82-R84 VanDerWaalsContact C-N 3.31Å; Y82-R84 PolarHBondContact O-N 2.75Å; R84-S196 PolarHBondContact NH2-OG 2.89Å; R84-E197 HydrophobicContact CG-CG 4.49Å; R84-E197 IonicContact CZ-OE1 2.77Å; R84-E197 IonicContact CZ-OE2 2.59Å; R84-E197 IonicContact NE-OE1 3.93Å; R84-E197 PolarHBondContact NE-OE1 3.4Å; R84-E197 IonicContact NH2-OE1 2.77Å; R84-E197 PolarHBondContact NH2-OE1 3Å; R84-E197 IonicContact NH2-OE2 3.75Å; R84-E197 PolarHBondContact NH2-OE2 2.68Å; R84-Y236 HydrophobicContact CB-CD2 3.94Å; R84-Y236 HydrophobicContact CB-CE2 3.79Å; R84-Y236 HydrophobicContact CG-CD2 3.7Å; R84-Y236 HydrophobicContact CG-CE2 3.64Å; R84-Y236 HydrophobicContact CG-CG 4.23Å
85I93.7Very high95.7Very high116 Ų11649.8 Ų49.860%0.59525%0.247SC*.Hα-helixtrans-101.35.7-176.565.5-178.1000113.8M81 Y82 L83 K87M81-I85 WeakPolarHBondContact O-CG1 3.48Å; M81-I85 PolarHBondContact O-N 3.1Å; Y82-I85 HydrophobicContact CD1-CD1 4.45Å; Y82-I85 CarbonylContact O-C 3.33Å; Y82-I85 PolarHBondContact O-N 3.12Å; L83-I85 VanDerWaalsContact C-N 3.3Å; L83-I85 PolarHBondContact O-N 2.84Å; I85-K87 HydrophobicContact CD1-CD 3.63Å; I85-K87 HydrophobicContact CD1-CG 4.07Å; I85-K87 HydrophobicContact CG1-CB 4.16Å; I85-K87 HydrophobicContact CG1-CD 4.09Å; I85-K87 HydrophobicContact CG1-CG 3.95Å
86G95.6Very high95.7Very high32 Ų3252.4 Ų52.433%0.3326%0.263SS..THydrogen-bonded Turntrans75.421.5175.500000115.7Y82 L83 Y88Y82-G86 PolarHBondContact O-N 3.49Å; L83-G86 PolarHBondContact O-N 3.46Å; G86-Y88 VanDerWaalsContact C-N 3.33Å; G86-Y88 VanDerWaalsContact O-CD2 3.27Å; G86-Y88 WeakPolarHBondContact O-CD2 3.29Å; G86-Y88 WeakPolarHBondContact O-CE2 3.22Å; G86-Y88 PolarHBondContact O-N 3.07Å; G86-Y88 VanDerWaalsContact O-N 3.12Å
87K97.8Very high95.7Very high93 Ų9355.1 Ų55.140%0.40427%0.273SS..  trans-85.565.1-179.9-83.1-170.5175-1610112.4Y82 I85 E90 I91Y82-K87 HydrophobicContact CD1-CB 3.82Å; Y82-K87 HydrophobicContact CD1-CD 3.94Å; Y82-K87 HydrophobicContact CE1-CD 4.2Å; Y82-K87 HydrophobicContact CG-CB 4.11Å; Y82-K87 PolarHBondContact O-N 3.25Å; I85-K87 HydrophobicContact CD1-CD 3.63Å; I85-K87 HydrophobicContact CD1-CG 4.07Å; I85-K87 HydrophobicContact CG1-CB 4.16Å; I85-K87 HydrophobicContact CG1-CD 4.09Å; I85-K87 HydrophobicContact CG1-CG 3.95Å; K87-E90 VanDerWaalsContact C-OE2 3.24Å; K87-E90 WeakPolarHBondContact CA-OE2 3.46Å; K87-E90 HydrophobicContact CB-CB 4.39Å; K87-E90 HydrophobicContact CB-CG 4.42Å; K87-E90 VanDerWaalsContact CB-OE2 3.26Å; K87-E90 WeakPolarHBondContact CB-OE2 3.46Å; K87-E90 VanDerWaalsContact CD-OE1 3.23Å; K87-E90 WeakPolarHBondContact CD-OE1 3.11Å; K87-E90 WeakPolarHBondContact CG-OE1 3.22Å; K87-E90 IonicContact NZ-OE1 2.65Å; K87-E90 PolarHBondContact O-N 3.24Å; K87-I91 PolarHBondContact O-N 3.48Å
88Y98.2Very high95.6Very high59 Ų5952.5 Ų52.523%0.23126%0.26CS..Hα-helixtrans-69.6-34-170.5-51.7-65000113.5L83 G86 E90 I91 R92 V119 F123 I124L83-Y88 HydrophobicContact CD1-CE1 4.16Å; G86-Y88 VanDerWaalsContact C-N 3.33Å; G86-Y88 VanDerWaalsContact O-CD2 3.27Å; G86-Y88 WeakPolarHBondContact O-CD2 3.29Å; G86-Y88 WeakPolarHBondContact O-CE2 3.22Å; G86-Y88 PolarHBondContact O-N 3.07Å; G86-Y88 VanDerWaalsContact O-N 3.12Å; Y88-E90 VanDerWaalsContact C-N 3.27Å; Y88-E90 PolarHBondContact O-N 3.08Å; Y88-I91 HydrophobicContact CD1-CD1 4.23Å; Y88-I91 WeakPolarHBondContact O-CB 2.81Å; Y88-I91 PolarHBondContact O-N 3Å; Y88-I91 VanDerWaalsContact O-N 3.12Å; Y88-R92 PolarHBondContact O-N 3.15Å; Y88-V119 HydrophobicContact CD1-CG1 3.91Å; Y88-V119 HydrophobicContact CE1-CG1 4.23Å; Y88-F123 HydrophobicContact CD1-CB 3.86Å; Y88-F123 AromaticContact CD1-CD2 3.96Å; Y88-F123 HydrophobicContact CD1-CD2 3.96Å; Y88-F123 AromaticContact CD1-CG 3.98Å; Y88-F123 HydrophobicContact CD1-CG 3.98Å; Y88-F123 HydrophobicContact CD2-CB 3.65Å; Y88-F123 HydrophobicContact CD2-CD1 4.41Å; Y88-F123 HydrophobicContact CD2-CG 4.11Å; Y88-F123 HydrophobicContact CE1-CB 4.04Å; Y88-F123 HydrophobicContact CE1-CD1 4.13Å; Y88-F123 AromaticContact CE1-CD2 3.53Å; Y88-F123 HydrophobicContact CE1-CD2 3.53Å; Y88-F123 HydrophobicContact CE1-CE1 4.46Å; Y88-F123 AromaticContact CE1-CE2 3.9Å; Y88-F123 HydrophobicContact CE1-CE2 3.9Å; Y88-F123 AromaticContact CE1-CG 3.64Å; Y88-F123 HydrophobicContact CE1-CG 3.64Å; Y88-F123 HydrophobicContact CE1-CZ 4.34Å; Y88-F123 HydrophobicContact CE2-CB 3.83Å; Y88-F123 AromaticContact CE2-CD1 3.71Å; Y88-F123 HydrophobicContact CE2-CD1 3.71Å; Y88-F123 HydrophobicContact CE2-CE1 4.36Å; Y88-F123 AromaticContact CE2-CG 3.78Å; Y88-F123 HydrophobicContact CE2-CG 3.78Å; Y88-F123 HydrophobicContact CG-CB 3.67Å; Y88-F123 HydrophobicContact CG-CG 4.21Å; Y88-F123 AromaticContact CZ-CD1 3.54Å; Y88-F123 AromaticContact CZ-CD2 3.84Å; Y88-F123 AromaticContact CZ-CE1 3.84Å; Y88-F123 AromaticContact CZ-CG 3.53Å; Y88-F123 WeakPolarHBondContact OH-CE1 3.47Å; Y88-I124 WeakPolarHBondContact O-CD1 3.02Å
89L98.1Very high95.2Very high123 Ų12351.1 Ų51.164%0.64426%0.257SS*.Hα-helixtrans-63.1-36.9177.7-68.4174.8000111.4I91 R92 A93 I124L89-I91 VanDerWaalsContact C-N 3.33Å; L89-R92 PolarHBondContact O-N 2.93Å; L89-A93 PolarHBondContact O-N 3.38Å; L89-I124 HydrophobicContact CD2-CD1 4.25Å; L89-I124 HydrophobicContact CD2-CG1 4.49Å; L89-I124 HydrophobicContact CD2-CG2 4.19Å
90E98Very high94.7Very high63 Ų6358.5 Ų58.529%0.29429%0.291SS..Hα-helixtrans-69.7-29.7175.7-62.690.6145.600112.5Y82 K87 Y88 T94Y82-E90 HydrophobicContact CD1-CB 4.18Å; Y82-E90 HydrophobicContact CD2-CB 3.66Å; Y82-E90 HydrophobicContact CE1-CB 4.1Å; Y82-E90 HydrophobicContact CE1-CG 4.42Å; Y82-E90 HydrophobicContact CE2-CB 3.56Å; Y82-E90 HydrophobicContact CG-CB 3.98Å; K87-E90 VanDerWaalsContact C-OE2 3.24Å; K87-E90 WeakPolarHBondContact CA-OE2 3.46Å; K87-E90 HydrophobicContact CB-CB 4.39Å; K87-E90 HydrophobicContact CB-CG 4.42Å; K87-E90 VanDerWaalsContact CB-OE2 3.26Å; K87-E90 WeakPolarHBondContact CB-OE2 3.46Å; K87-E90 VanDerWaalsContact CD-OE1 3.23Å; K87-E90 WeakPolarHBondContact CD-OE1 3.11Å; K87-E90 WeakPolarHBondContact CG-OE1 3.22Å; K87-E90 IonicContact NZ-OE1 2.65Å; K87-E90 PolarHBondContact O-N 3.24Å; Y88-E90 VanDerWaalsContact C-N 3.27Å; Y88-E90 PolarHBondContact O-N 3.08Å; E90-T94 WeakPolarHBondContact O-CB 3.49Å; E90-T94 PolarHBondContact O-N 2.91Å; E90-T94 PolarHBondContact O-OG1 3.04Å
91I98.1Very high94Very high0 Ų063 Ų630%031%0.308CS..Hα-helixtrans-64.4-47.3169.1-61.4174.1000109.7M79 Y82 L83 K87 Y88 L89 T94 L95 F116 V119M79-I91 HydrophobicContact CB-CG1 4.38Å; M79-I91 HydrophobicContact CB-CG2 4.4Å; M79-I91 HydrophobicContact CG-CG2 4.24Å; M79-I91 HydrophobicContact SD-CG2 3.96Å; Y82-I91 HydrophobicContact CD2-CG1 4.4Å; L83-I91 HydrophobicContact CB-CD1 4.05Å; K87-I91 PolarHBondContact O-N 3.48Å; Y88-I91 HydrophobicContact CD1-CD1 4.23Å; Y88-I91 WeakPolarHBondContact O-CB 2.81Å; Y88-I91 PolarHBondContact O-N 3Å; Y88-I91 VanDerWaalsContact O-N 3.12Å; L89-I91 VanDerWaalsContact C-N 3.33Å; I91-T94 WeakPolarHBondContact O-CB 3.43Å; I91-T94 PolarHBondContact O-N 3.41Å; I91-L95 HydrophobicContact CG2-CD1 4.21Å; I91-L95 PolarHBondContact O-N 2.91Å; I91-F116 HydrophobicContact CD1-CD1 4.34Å; I91-F116 HydrophobicContact CG2-CB 3.98Å; I91-F116 HydrophobicContact CG2-CD1 3.7Å; I91-F116 HydrophobicContact CG2-CG 4.17Å; I91-V119 HydrophobicContact CD1-CG1 4.2Å
92R97.6Very high93.3Very high72 Ų7266.1 Ų66.127%0.27232%0.321SS..Hα-helixtrans-59.5-51177.7-177166.3-62.5-149.32112Y88 L89 T94 L95 D96 C120 I124 D125Y88-R92 PolarHBondContact O-N 3.15Å; L89-R92 PolarHBondContact O-N 2.93Å; R92-T94 PolarHBondContact O-N 3.4Å; R92-L95 WeakPolarHBondContact O-CA 3.35Å; R92-L95 WeakPolarHBondContact O-CB 3.36Å; R92-L95 PolarHBondContact O-N 3.4Å; R92-D96 VanDerWaalsContact O-CG 3.28Å; R92-D96 PolarHBondContact O-N 2.97Å; R92-C120 PolarHBondContact NH2-O 3.19Å; R92-I124 HydrophobicContact CB-CD1 3.98Å; R92-D125 IonicContact CZ-OD1 3.31Å; R92-D125 VanDerWaalsContact CZ-OD1 3.23Å; R92-D125 IonicContact CZ-OD2 2.75Å; R92-D125 IonicContact NH1-OD1 2.65Å; R92-D125 PolarHBondContact NH1-OD1 2.84Å; R92-D125 IonicContact NH1-OD2 2.73Å; R92-D125 PolarHBondContact NH1-OD2 2.84Å; R92-D125 IonicContact NH2-OD1 3.48Å; R92-D125 PolarHBondContact NH2-OD1 3Å; R92-D125 IonicContact NH2-OD2 2.97Å; R92-D125 PolarHBondContact NH2-OD2 3.07Å
93A96.6Very high92Very high59 Ų5964.8 Ų64.849%0.48832%0.317SS..Hα-helixtrans-57.8-34.5177.100000112.6L89 Y97L89-A93 PolarHBondContact O-N 3.38Å; A93-Y97 WeakPolarHBondContact O-CB 3.42Å; A93-Y97 PolarHBondContact O-N 3.23Å
94T94.6Very high90.6Very high10 Ų1065.6 Ų65.66%0.06132%0.323CS..Hα-helixtrans-69.6-40.6174.7-58.20000112.1Y75 M79 E90 I91 R92 L98Y75-T94 HydrophobicContact CD1-CG2 3.56Å; Y75-T94 HydrophobicContact CE1-CG2 4.44Å; Y75-T94 HydrophobicContact CG-CG2 4.31Å; M79-T94 HydrophobicContact CE-CG2 4.14Å; M79-T94 HydrophobicContact CG-CG2 3.56Å; M79-T94 HydrophobicContact SD-CG2 3.66Å; E90-T94 WeakPolarHBondContact O-CB 3.49Å; E90-T94 PolarHBondContact O-N 2.91Å; E90-T94 PolarHBondContact O-OG1 3.04Å; I91-T94 WeakPolarHBondContact O-CB 3.43Å; I91-T94 PolarHBondContact O-N 3.41Å; R92-T94 PolarHBondContact O-N 3.4Å; T94-L98 HydrophobicContact CG2-CD1 4.36Å; T94-L98 VanDerWaalsContact O-CG 3.32Å; T94-L98 WeakPolarHBondContact O-CG 3.3Å; T94-L98 PolarHBondContact O-N 3.12Å; T94-L98 VanDerWaalsContact O-N 3.13Å
95L94.6Very high89.4Confident8 Ų867.5 Ų67.54%0.04234%0.335CS..Hα-helixtrans-63.3-46.1175.9-75.4167.2000111.7M79 I91 R92 Y97 L98 D99 F116 K117M79-L95 HydrophobicContact CE-CD2 4.48Å; M79-L95 HydrophobicContact SD-CD2 4.12Å; M79-L95 HydrophobicContact SD-CG 3.97Å; I91-L95 HydrophobicContact CG2-CD1 4.21Å; I91-L95 PolarHBondContact O-N 2.91Å; R92-L95 WeakPolarHBondContact O-CA 3.35Å; R92-L95 WeakPolarHBondContact O-CB 3.36Å; R92-L95 PolarHBondContact O-N 3.4Å; L95-Y97 VanDerWaalsContact C-N 3.3Å; L95-Y97 PolarHBondContact O-N 2.8Å; L95-L98 PolarHBondContact O-N 3.5Å; L95-L98 VanDerWaalsContact O-N 3.08Å; L95-D99 WeakPolarHBondContact O-CB 3.03Å; L95-D99 PolarHBondContact O-N 3.35Å; L95-F116 HydrophobicContact CD1-CB 3.98Å; L95-F116 HydrophobicContact CD2-CB 4.06Å; L95-F116 HydrophobicContact CG-CB 4.33Å; L95-K117 HydrophobicContact CD1-CG 3.84Å; L95-K117 HydrophobicContact CD2-CG 4.24Å
96D93.2Very high88.7Confident81 Ų8165.1 Ų65.143%0.43332%0.323SS..Hα-helixtrans-58.4-45.6179.5-60.5-25.2000110.4R92 L98 D99 E100R92-D96 VanDerWaalsContact O-CG 3.28Å; R92-D96 PolarHBondContact O-N 2.97Å; D96-L98 VanDerWaalsContact C-N 3.33Å; D96-L98 PolarHBondContact O-N 3.28Å; D96-D99 PolarHBondContact O-N 3.48Å; D96-E100 WeakPolarHBondContact O-CG 3.11Å; D96-E100 PolarHBondContact O-N 3.45Å
97Y91.1Very high88.1Confident58 Ų5866.7 Ų66.723%0.22732%0.324CS..Hα-helixtrans-59.3-38.2175173.3-86.7000113.8F71 Y75 A93 L95 R101F71-Y97 HydrophobicContact CE1-CE1 4.32Å; F71-Y97 AromaticContact CZ-CE1 3.79Å; F71-Y97 HydrophobicContact CZ-CE1 3.79Å; Y75-Y97 AromaticContact CE1-CD1 3.91Å; Y75-Y97 HydrophobicContact CE1-CD1 3.91Å; Y75-Y97 AromaticContact CE1-CE1 3.67Å; Y75-Y97 HydrophobicContact CE1-CE1 3.67Å; Y75-Y97 HydrophobicContact CE2-CE1 4Å; Y75-Y97 AromaticContact CZ-CE1 3.33Å; Y75-Y97 AromaticContact CZ-CZ 3.91Å; Y75-Y97 WeakPolarHBondContact OH-CE1 3.2Å; Y75-Y97 PolarHBondContact OH-OH 3.29Å; A93-Y97 WeakPolarHBondContact O-CB 3.42Å; A93-Y97 PolarHBondContact O-N 3.23Å; L95-Y97 VanDerWaalsContact C-N 3.3Å; L95-Y97 PolarHBondContact O-N 2.8Å; Y97-R101 PolarHBondContact OH-NE 3.39Å; Y97-R101 PolarHBondContact OH-NH1 3.29Å; Y97-R101 PolarHBondContact OH-NH2 2.97Å
98L89.6Confident87.4Confident2 Ų266.5 Ų66.51%0.0132%0.323CS..Hα-helixtrans-75.8-38.5178.7-70.3178.6000112.1F71 L72 Y75 M79 T94 L95 D96 R101 Q102F71-L98 HydrophobicContact CD1-CD2 4.47Å; F71-L98 HydrophobicContact CE1-CD2 3.84Å; L72-L98 HydrophobicContact CD2-CD1 4.43Å; L72-L98 HydrophobicContact CD2-CD2 4.13Å; Y75-L98 HydrophobicContact CD2-CD2 4.08Å; Y75-L98 HydrophobicContact CG-CD2 4Å; M79-L98 HydrophobicContact CE-CD1 3.98Å; T94-L98 HydrophobicContact CG2-CD1 4.36Å; T94-L98 VanDerWaalsContact O-CG 3.32Å; T94-L98 WeakPolarHBondContact O-CG 3.3Å; T94-L98 PolarHBondContact O-N 3.12Å; T94-L98 VanDerWaalsContact O-N 3.13Å; L95-L98 PolarHBondContact O-N 3.5Å; L95-L98 VanDerWaalsContact O-N 3.08Å; D96-L98 VanDerWaalsContact C-N 3.33Å; D96-L98 PolarHBondContact O-N 3.28Å; L98-R101 PolarHBondContact O-N 3.34Å; L98-Q102 PolarHBondContact O-N 3.16Å
99D87.2Confident86.9Confident64 Ų6464.1 Ų64.134%0.34231%0.314SS..Hα-helixtrans-65.9-41.4177.4-80.4-16.8000110.6L95 D96 R101 Q102 K117L95-D99 WeakPolarHBondContact O-CB 3.03Å; L95-D99 PolarHBondContact O-N 3.35Å; D96-D99 PolarHBondContact O-N 3.48Å; D99-R101 PolarHBondContact O-N 2.77Å; D99-Q102 PolarHBondContact O-N 3.25Å; D99-K117 VanDerWaalsContact CG-NZ 3.31Å; D99-K117 IonicContact OD1-NZ 2.73Å; D99-K117 PolarHBondContact OD1-NZ 3.15Å; D99-K117 WeakPolarHBondContact OD2-CE 3.24Å; D99-K117 IonicContact OD2-NZ 3.42Å; D99-K117 PolarHBondContact OD2-NZ 3.34Å
100E85.8Confident86.5Confident155 Ų15563.8 Ų63.872%0.72431%0.305SS*.Hα-helixtrans-57.8-35.5175-78.4177.7-176.200113.1D96D96-E100 WeakPolarHBondContact O-CG 3.11Å; D96-E100 PolarHBondContact O-N 3.45Å
101R81.1Confident86.2Confident98 Ų9860.8 Ų60.837%0.3729%0.291SS..THydrogen-bonded Turntrans-86.8-7.2178.2-68.5179.8160.166.7-6.5113.7D64 Y97 L98 D99 I103D64-R101 IonicContact OD2-NH2 3.59Å; D64-R101 PolarHBondContact OD2-NH2 3.45Å; Y97-R101 PolarHBondContact OH-NE 3.39Å; Y97-R101 PolarHBondContact OH-NH1 3.29Å; Y97-R101 PolarHBondContact OH-NH2 2.97Å; L98-R101 PolarHBondContact O-N 3.34Å; D99-R101 PolarHBondContact O-N 2.77Å; R101-I103 VanDerWaalsContact C-N 3.32Å; R101-I103 HydrophobicContact CB-CD1 3.35Å; R101-I103 HydrophobicContact CB-CG1 3.47Å; R101-I103 VanDerWaalsContact CB-CG1 3.47Å; R101-I103 HydrophobicContact CG-CD1 4.09Å; R101-I103 WeakPolarHBondContact O-CG1 3.37Å; R101-I103 PolarHBondContact O-N 3.42Å
102Q79.1Confident86Confident153 Ų15361.5 Ų61.572%0.71529%0.294SS*.THydrogen-bonded Turntrans58.432.4-179.5-56-176.711.900115.5L98 D99 T104 H105L98-Q102 PolarHBondContact O-N 3.16Å; D99-Q102 PolarHBondContact O-N 3.25Å; Q102-T104 PolarHBondContact O-N 3.16Å; Q102-H105 PolarHBondContact O-CE1 3.18Å
103I71.1Confident85.8Confident20 Ų2058.4 Ų58.410%0.10328%0.284CS..  trans-82.5-10.9-165.1-64.5-177.6000113.8E68 F71 L72 R101 H105E68-I103 HydrophobicContact CG-CG2 3.43Å; E68-I103 VanDerWaalsContact CG-CG2 3.43Å; E68-I103 WeakPolarHBondContact OE1-CA 3.49Å; E68-I103 WeakPolarHBondContact OE1-CG2 3.18Å; F71-I103 HydrophobicContact CD1-CD1 3.84Å; F71-I103 HydrophobicContact CD1-CG2 4.09Å; F71-I103 HydrophobicContact CE1-CD1 3.39Å; F71-I103 HydrophobicContact CE1-CG2 4.48Å; F71-I103 HydrophobicContact CZ-CD1 4.15Å; L72-I103 HydrophobicContact CD1-CG2 3.96Å; L72-I103 WeakPolarHBondContact CD1-O 3.49Å; L72-I103 HydrophobicContact CD2-CB 4.1Å; L72-I103 HydrophobicContact CD2-CG2 3.42Å; L72-I103 VanDerWaalsContact CD2-CG2 3.42Å; L72-I103 HydrophobicContact CG-CG2 3.47Å; L72-I103 VanDerWaalsContact CG-CG2 3.47Å; R101-I103 VanDerWaalsContact C-N 3.32Å; R101-I103 HydrophobicContact CB-CD1 3.35Å; R101-I103 HydrophobicContact CB-CG1 3.47Å; R101-I103 VanDerWaalsContact CB-CG1 3.47Å; R101-I103 HydrophobicContact CG-CD1 4.09Å; R101-I103 WeakPolarHBondContact O-CG1 3.37Å; R101-I103 PolarHBondContact O-N 3.42Å; I103-H105 PolarHBondContact O-N 3.17Å
104T66.2Low85.7Confident32 Ų3256.4 Ų56.420%0.19627%0.266CS..  trans-82.275.4-171.252.80000113.6L72 Q102 R110 A113L72-T104 HydrophobicContact CD2-CG2 4.27Å; Q102-T104 PolarHBondContact O-N 3.16Å; T104-R110 WeakPolarHBondContact O-CG 3.42Å; T104-A113 HydrophobicContact CG2-CB 4.23Å
105H69.9Low85.9Confident119 Ų11956.2 Ų56.255%0.55127%0.265SS*.  trans-91.8-39.3-173.6-63.6-34.1000115.5E68 Q102 I103E68-H105 IonicContact OE1-CD2 3.4Å; E68-H105 PolarHBondContact OE1-CD2 2.97Å; E68-H105 IonicContact OE1-CG 3.23Å; E68-H105 IonicContact OE1-NE2 2.65Å; E68-H105 PolarHBondContact OE1-NE2 3.4Å; E68-H105 IonicContact OE2-CD2 3.47Å; E68-H105 PolarHBondContact OE2-CD2 3.08Å; E68-H105 IonicContact OE2-NE2 3.89Å; Q102-H105 PolarHBondContact O-CE1 3.18Å; I103-H105 PolarHBondContact O-N 3.17Å
106L79.7Confident86Confident66 Ų6655.9 Ų55.935%0.34626%0.263SS..SBendtrans-78.4143.6-178.9-57.4174.2000110.7E69 K108 D109 R110E69-L106 HydrophobicContact CG-CD1 4.03Å; L106-K108 HydrophobicContact CB-CG 4.16Å; L106-K108 PolarHBondContact O-N 2.77Å; L106-K108 VanDerWaalsContact O-N 3.13Å; L106-D109 WeakPolarHBondContact CB-OD2 3.27Å; L106-D109 WeakPolarHBondContact O-CB 3.4Å; L106-D109 PolarHBondContact O-N 2.98Å; L106-R110 WeakPolarHBondContact O-CG 3.35Å; L106-R110 PolarHBondContact O-N 3.09Å
107D83.6Confident86.2Confident65 Ų6555.2 Ų55.235%0.34826%0.256SS..Hα-helixtrans-54.7-36.4-179.7-69.3-35.4000112.7D109 R110 Q111 I141 V143D107-D109 VanDerWaalsContact C-N 3.35Å; D107-D109 PolarHBondContact O-N 3.15Å; D107-R110 PolarHBondContact O-N 3.43Å; D107-R110 IonicContact OD1-NH1 2.93Å; D107-Q111 WeakPolarHBondContact O-CG 3.45Å; D107-Q111 PolarHBondContact O-N 3.22Å; D107-I141 HydrophobicContact CB-CG2 3.54Å; D107-V143 HydrophobicContact CB-CB 4.19Å; D107-V143 HydrophobicContact CB-CG1 4.38Å; D107-V143 HydrophobicContact CB-CG2 3.55Å
108K82.5Confident86.6Confident89 Ų8952.4 Ų52.439%0.38725%0.245SC..Hα-helixtrans-64.3-38.2176.274.4-174.6-176.2-171.50112.5L106 Q111 L112 V143L106-K108 HydrophobicContact CB-CG 4.16Å; L106-K108 PolarHBondContact O-N 2.77Å; L106-K108 VanDerWaalsContact O-N 3.13Å; K108-Q111 WeakPolarHBondContact O-CB 3.3Å; K108-Q111 PolarHBondContact O-N 3.42Å; K108-L112 PolarHBondContact O-N 3.22Å; K108-L112 VanDerWaalsContact O-N 3.11Å; K108-V143 HydrophobicContact CB-CG1 4.35Å
109D87.1Confident87Confident9 Ų952.3 Ų52.35%0.04825%0.245CC..Hα-helixtrans-76.1-36.6-177.3-63-38.7000109.5L72 F76 L106 D107 L112 A113L72-D109 HydrophobicContact CD1-CB 3.97Å; F76-D109 HydrophobicContact CE2-CB 3.74Å; F76-D109 HydrophobicContact CZ-CB 4.07Å; F76-D109 WeakPolarHBondContact CZ-O 3.39Å; L106-D109 WeakPolarHBondContact CB-OD2 3.27Å; L106-D109 WeakPolarHBondContact O-CB 3.4Å; L106-D109 PolarHBondContact O-N 2.98Å; D107-D109 VanDerWaalsContact C-N 3.35Å; D107-D109 PolarHBondContact O-N 3.15Å; D109-L112 PolarHBondContact O-N 3.04Å; D109-A113 WeakPolarHBondContact O-CB 3.08Å; D109-A113 PolarHBondContact O-N 3.37Å
110R89.6Confident87.5Confident117 Ų11749.4 Ų49.444%0.44223%0.229SC..Hα-helixtrans-62.7-41.1170.7-63.8173.867.9-166.24.8111.8T104 L106 D107 L112 A113 C114 I141T104-R110 WeakPolarHBondContact O-CG 3.42Å; L106-R110 WeakPolarHBondContact O-CG 3.35Å; L106-R110 PolarHBondContact O-N 3.09Å; D107-R110 PolarHBondContact O-N 3.43Å; D107-R110 IonicContact OD1-NH1 2.93Å; R110-L112 PolarHBondContact O-N 2.92Å; R110-A113 PolarHBondContact O-N 3.4Å; R110-C114 PolarHBondContact O-N 3.38Å; R110-C114 PolarHBondContact O-SG 2.99Å; R110-C114 VanDerWaalsContact O-SG 3.39Å; R110-I141 HydrophobicContact CB-CD1 3.6Å
111Q92.5Very high88.1Confident0 Ų042.2 Ų42.20%020%0.196CC..Hα-helixtrans-59.1-45.7172.6-78.3-171.4-1000112.4D107 K108 C114 F115 G138 I141 V143 S153 L157D107-Q111 WeakPolarHBondContact O-CG 3.45Å; D107-Q111 PolarHBondContact O-N 3.22Å; K108-Q111 WeakPolarHBondContact O-CB 3.3Å; K108-Q111 PolarHBondContact O-N 3.42Å; Q111-C114 WeakPolarHBondContact O-CB 3.47Å; Q111-C114 PolarHBondContact O-N 3.03Å; Q111-F115 PolarHBondContact O-N 3.08Å; Q111-G138 WeakPolarHBondContact CG-O 3.24Å; Q111-I141 HydrophobicContact CG-CB 3.95Å; Q111-I141 HydrophobicContact CG-CD1 4.3Å; Q111-I141 HydrophobicContact CG-CG2 4.22Å; Q111-I141 PolarHBondContact NE2-O 3.08Å; Q111-V143 HydrophobicContact CG-CG2 4.24Å; Q111-S153 PolarHBondContact OE1-OG 3.18Å; Q111-L157 HydrophobicContact CB-CD1 3.81Å; Q111-L157 HydrophobicContact CG-CD1 4.01Å
112L92.5Very high88.9Confident15 Ų1540.1 Ų40.18%0.07919%0.189CC..Hα-helixtrans-66.6-39.1177.2-74.1177.1000112.3F76 F80 K108 D109 R110 F115 F116 L156F76-L112 HydrophobicContact CB-CD1 4.44Å; F76-L112 HydrophobicContact CD1-CB 3.88Å; F76-L112 HydrophobicContact CD1-CD1 4.32Å; F76-L112 HydrophobicContact CD2-CD1 4.1Å; F76-L112 HydrophobicContact CE1-CB 3.66Å; F76-L112 HydrophobicContact CE2-CB 4.44Å; F76-L112 HydrophobicContact CE2-CD1 4.45Å; F76-L112 HydrophobicContact CG-CB 4.42Å; F76-L112 HydrophobicContact CG-CD1 4.05Å; F76-L112 HydrophobicContact CZ-CB 3.97Å; F80-L112 HydrophobicContact CE2-CD2 4.22Å; F80-L112 HydrophobicContact CZ-CD2 3.8Å; K108-L112 PolarHBondContact O-N 3.22Å; K108-L112 VanDerWaalsContact O-N 3.11Å; D109-L112 PolarHBondContact O-N 3.04Å; R110-L112 PolarHBondContact O-N 2.92Å; L112-F115 WeakPolarHBondContact O-CB 3.1Å; L112-F115 PolarHBondContact O-N 3.3Å; L112-F116 VanDerWaalsContact O-CD2 3.24Å; L112-F116 WeakPolarHBondContact O-CD2 3.48Å; L112-F116 PolarHBondContact O-N 2.84Å; L112-L156 HydrophobicContact CD2-CD1 4.45Å
113A94.2Very high89.8Confident6 Ų635.1 Ų35.15%0.0517%0.165CC..Hα-helixtrans-59.9-45.9174.200000111.1T104 D109 R110 F115 F116 K117T104-A113 HydrophobicContact CG2-CB 4.23Å; D109-A113 WeakPolarHBondContact O-CB 3.08Å; D109-A113 PolarHBondContact O-N 3.37Å; R110-A113 PolarHBondContact O-N 3.4Å; A113-F115 VanDerWaalsContact C-N 3.33Å; A113-F115 PolarHBondContact O-N 2.93Å; A113-F116 PolarHBondContact O-N 3.45Å; A113-K117 WeakPolarHBondContact O-CB 3.37Å; A113-K117 VanDerWaalsContact O-CG 3.27Å; A113-K117 WeakPolarHBondContact O-CG 3.26Å; A113-K117 PolarHBondContact O-N 2.89Å
114C95.6Very high91.1Very high17 Ų1736.3 Ų36.312%0.11517%0.171CC..Hα-helixtrans-57.4-43.7172.7-73.90000112.2R110 Q111 K117 A118 L134 L157R110-C114 PolarHBondContact O-N 3.38Å; R110-C114 PolarHBondContact O-SG 2.99Å; R110-C114 VanDerWaalsContact O-SG 3.39Å; Q111-C114 WeakPolarHBondContact O-CB 3.47Å; Q111-C114 PolarHBondContact O-N 3.03Å; C114-K117 PolarHBondContact O-N 3.33Å; C114-A118 WeakPolarHBondContact O-CB 3.39Å; C114-A118 PolarHBondContact O-N 3.26Å; C114-L134 WeakPolarHBondContact CB-O 3.4Å; C114-L157 HydrophobicContact CB-CD2 4.47Å
115F97Very high92.6Very high7 Ų738.9 Ų38.93%0.03118%0.183CC..Hα-helixtrans-59.4-49.6176.4170.7-100.6000112.1F80 L83 Q111 L112 A113 A118 V119 L156 L157 F160F80-F115 HydrophobicContact CE1-CE1 4.02Å; L83-F115 HydrophobicContact CD2-CE1 3.94Å; L83-F115 HydrophobicContact CD2-CZ 4Å; Q111-F115 PolarHBondContact O-N 3.08Å; L112-F115 WeakPolarHBondContact O-CB 3.1Å; L112-F115 PolarHBondContact O-N 3.3Å; A113-F115 VanDerWaalsContact C-N 3.33Å; A113-F115 PolarHBondContact O-N 2.93Å; F115-A118 WeakPolarHBondContact O-CB 3.46Å; F115-A118 PolarHBondContact O-N 3.45Å; F115-V119 HydrophobicContact CD1-CG2 4.47Å; F115-V119 HydrophobicContact CE1-CG2 4.05Å; F115-V119 HydrophobicContact CE2-CG2 4.26Å; F115-V119 HydrophobicContact CZ-CG2 3.93Å; F115-V119 WeakPolarHBondContact O-CG2 3.36Å; F115-V119 PolarHBondContact O-N 3.43Å; F115-L156 HydrophobicContact CD2-CB 4.01Å; F115-L156 HydrophobicContact CE2-CB 3.92Å; F115-L156 HydrophobicContact CG-CB 4.49Å; F115-L156 HydrophobicContact CZ-CB 4.32Å; F115-L156 HydrophobicContact CZ-CD2 4.35Å; F115-L157 HydrophobicContact CB-CD2 3.8Å; F115-L157 HydrophobicContact CB-CG 4.25Å; F115-F160 HydrophobicContact CD2-CB 4.28Å; F115-F160 HydrophobicContact CE2-CB 4.05Å; F115-F160 HydrophobicContact CE2-CD2 4.09Å; F115-F160 HydrophobicContact CE2-CG 4.2Å
116F97.6Very high94Very high0 Ų040.8 Ų40.80%019%0.19CC..Hα-helixtrans-69-35179.9-76.3-66.6000112.8F76 M79 F80 L83 I91 L95 L112 A113 A118 V119 C120F76-F116 AromaticContact CD1-CD2 3.95Å; F76-F116 HydrophobicContact CD1-CD2 3.95Å; F76-F116 AromaticContact CD1-CE2 3.8Å; F76-F116 HydrophobicContact CD1-CE2 3.8Å; F76-F116 HydrophobicContact CE1-CD2 4.32Å; M79-F116 HydrophobicContact CB-CD1 3.92Å; M79-F116 HydrophobicContact CB-CD2 4.32Å; M79-F116 HydrophobicContact CB-CE1 3.53Å; M79-F116 HydrophobicContact CB-CE2 3.98Å; M79-F116 HydrophobicContact CB-CG 4.3Å; M79-F116 HydrophobicContact CB-CZ 3.56Å; M79-F116 HydrophobicContact CE-CD2 3.87Å; M79-F116 HydrophobicContact CE-CE2 4.16Å; M79-F116 HydrophobicContact CE-CG 4.37Å; M79-F116 HydrophobicContact SD-CB 4.32Å; M79-F116 HydrophobicContact SD-CD1 4.46Å; M79-F116 HydrophobicContact SD-CD2 4.19Å; M79-F116 HydrophobicContact SD-CG 4.08Å; F80-F116 HydrophobicContact CB-CZ 4.4Å; F80-F116 HydrophobicContact CD1-CE1 4.18Å; F80-F116 AromaticContact CD1-CZ 3.55Å; F80-F116 HydrophobicContact CD1-CZ 3.55Å; F80-F116 HydrophobicContact CD2-CE2 4.38Å; F80-F116 AromaticContact CD2-CZ 3.94Å; F80-F116 HydrophobicContact CD2-CZ 3.94Å; F80-F116 HydrophobicContact CE1-CE1 4.41Å; F80-F116 HydrophobicContact CE1-CE2 4.28Å; F80-F116 AromaticContact CE1-CZ 3.67Å; F80-F116 HydrophobicContact CE1-CZ 3.67Å; F80-F116 HydrophobicContact CE2-CE2 4.14Å; F80-F116 HydrophobicContact CE2-CZ 4.03Å; F80-F116 AromaticContact CG-CZ 3.7Å; F80-F116 HydrophobicContact CG-CZ 3.7Å; F80-F116 HydrophobicContact CZ-CE2 4.1Å; F80-F116 AromaticContact CZ-CZ 3.91Å; F80-F116 HydrophobicContact CZ-CZ 3.91Å; L83-F116 HydrophobicContact CB-CE1 4.46Å; I91-F116 HydrophobicContact CD1-CD1 4.34Å; I91-F116 HydrophobicContact CG2-CB 3.98Å; I91-F116 HydrophobicContact CG2-CD1 3.7Å; I91-F116 HydrophobicContact CG2-CG 4.17Å; L95-F116 HydrophobicContact CD1-CB 3.98Å; L95-F116 HydrophobicContact CD2-CB 4.06Å; L95-F116 HydrophobicContact CG-CB 4.33Å; L112-F116 VanDerWaalsContact O-CD2 3.24Å; L112-F116 WeakPolarHBondContact O-CD2 3.48Å; L112-F116 PolarHBondContact O-N 2.84Å; A113-F116 PolarHBondContact O-N 3.45Å; F116-A118 VanDerWaalsContact C-N 3.32Å; F116-A118 PolarHBondContact O-N 3.09Å; F116-V119 WeakPolarHBondContact O-CB 3.3Å; F116-V119 PolarHBondContact O-N 3.27Å; F116-C120 PolarHBondContact O-N 3.19Å; F116-C120 PolarHBondContact O-SG 2.9Å
117K97.6Very high94.8Very high67 Ų6741.1 Ų41.129%0.29119%0.192SC..Hα-helixtrans-59.9-43.7171.2-73.8175.7179.4-175.50110.7L95 D99 A113 C114 C120 A121 L134L95-K117 HydrophobicContact CD1-CG 3.84Å; L95-K117 HydrophobicContact CD2-CG 4.24Å; D99-K117 VanDerWaalsContact CG-NZ 3.31Å; D99-K117 IonicContact OD1-NZ 2.73Å; D99-K117 PolarHBondContact OD1-NZ 3.15Å; D99-K117 WeakPolarHBondContact OD2-CE 3.24Å; D99-K117 IonicContact OD2-NZ 3.42Å; D99-K117 PolarHBondContact OD2-NZ 3.34Å; A113-K117 WeakPolarHBondContact O-CB 3.37Å; A113-K117 VanDerWaalsContact O-CG 3.27Å; A113-K117 WeakPolarHBondContact O-CG 3.26Å; A113-K117 PolarHBondContact O-N 2.89Å; C114-K117 PolarHBondContact O-N 3.33Å; K117-C120 WeakPolarHBondContact O-CB 3.42Å; K117-C120 PolarHBondContact O-N 2.75Å; K117-A121 PolarHBondContact O-N 3.4Å; K117-L134 HydrophobicContact CB-CD1 4.02Å; K117-L134 HydrophobicContact CB-CD2 4.08Å
118A98.5Very high95.5Very high0 Ų038.6 Ų38.60%018%0.18CC..Hα-helixtrans-64.9-38.3175.800000113.1C114 F115 F116 C120 A121 Y122 A131 L134 V135 F160C114-A118 WeakPolarHBondContact O-CB 3.39Å; C114-A118 PolarHBondContact O-N 3.26Å; F115-A118 WeakPolarHBondContact O-CB 3.46Å; F115-A118 PolarHBondContact O-N 3.45Å; F116-A118 VanDerWaalsContact C-N 3.32Å; F116-A118 PolarHBondContact O-N 3.09Å; A118-C120 VanDerWaalsContact C-N 3.33Å; A118-C120 PolarHBondContact O-N 3.13Å; A118-A121 PolarHBondContact O-N 2.98Å; A118-Y122 PolarHBondContact O-N 3.39Å; A118-A131 HydrophobicContact CB-CB 4.34Å; A118-A131 WeakPolarHBondContact CB-O 3.49Å; A118-A131 WeakPolarHBondContact O-CB 3.29Å; A118-L134 HydrophobicContact CB-CB 3.87Å; A118-V135 HydrophobicContact CB-CG2 3.53Å; A118-F160 HydrophobicContact CB-CD1 4.08Å; A118-F160 HydrophobicContact CB-CE1 3.97Å
119V98.4Very high96.3Very high0 Ų037.8 Ų37.80%018%0.178CC..Hα-helixtrans-57.7-47.3171.9166.10000110.5L83 Y88 I91 F115 F116 Y122 F123 F160L83-V119 HydrophobicContact CD1-CG1 3.88Å; L83-V119 HydrophobicContact CD1-CG2 4.29Å; Y88-V119 HydrophobicContact CD1-CG1 3.91Å; Y88-V119 HydrophobicContact CE1-CG1 4.23Å; I91-V119 HydrophobicContact CD1-CG1 4.2Å; F115-V119 HydrophobicContact CD1-CG2 4.47Å; F115-V119 HydrophobicContact CE1-CG2 4.05Å; F115-V119 HydrophobicContact CE2-CG2 4.26Å; F115-V119 HydrophobicContact CZ-CG2 3.93Å; F115-V119 WeakPolarHBondContact O-CG2 3.36Å; F115-V119 PolarHBondContact O-N 3.43Å; F116-V119 WeakPolarHBondContact O-CB 3.3Å; F116-V119 PolarHBondContact O-N 3.27Å; V119-Y122 PolarHBondContact O-N 3.26Å; V119-F123 HydrophobicContact CG1-CD2 3.85Å; V119-F123 HydrophobicContact CG1-CE2 4.35Å; V119-F123 WeakPolarHBondContact O-CB 3.46Å; V119-F123 WeakPolarHBondContact O-CD2 3.34Å; V119-F123 PolarHBondContact O-N 2.99Å; V119-F160 HydrophobicContact CG2-CE2 3.97Å; V119-F160 HydrophobicContact CG2-CZ 4.04Å
120C98.5Very high96.8Very high3 Ų338.6 Ų38.62%0.0219%0.186CC..Hα-helixtrans-62.3-47.6177.2-720000112.2R92 F116 K117 A118 Y122 F123 I124 D125R92-C120 PolarHBondContact NH2-O 3.19Å; F116-C120 PolarHBondContact O-N 3.19Å; F116-C120 PolarHBondContact O-SG 2.9Å; K117-C120 WeakPolarHBondContact O-CB 3.42Å; K117-C120 PolarHBondContact O-N 2.75Å; A118-C120 VanDerWaalsContact C-N 3.33Å; A118-C120 PolarHBondContact O-N 3.13Å; C120-Y122 VanDerWaalsContact C-N 3.3Å; C120-Y122 PolarHBondContact O-N 2.88Å; C120-F123 PolarHBondContact O-N 3.45Å; C120-I124 HydrophobicContact CB-CD1 3.96Å; C120-I124 WeakPolarHBondContact O-CA 3.4Å; C120-I124 VanDerWaalsContact O-CB 3.23Å; C120-I124 WeakPolarHBondContact O-CB 3.4Å; C120-I124 PolarHBondContact O-N 2.83Å; C120-D125 PolarHBondContact O-N 2.68Å
121A98.5Very high97.2Very high4 Ų433 Ų333%0.03317%0.165CC..Hα-helixtrans-54.7-45.7176.800000112K117 A118 D125 K126 D127 A130 A131 L134K117-A121 PolarHBondContact O-N 3.4Å; A118-A121 PolarHBondContact O-N 2.98Å; A121-D125 WeakPolarHBondContact CA-OD2 3.49Å; A121-D125 CarbonylContact O-C 3.35Å; A121-D125 WeakPolarHBondContact O-CA 3.21Å; A121-D125 WeakPolarHBondContact O-CB 3.15Å; A121-D125 PolarHBondContact O-N 3.17Å; A121-K126 PolarHBondContact O-N 3.09Å; A121-D127 PolarHBondContact O-N 2.85Å; A121-A130 HydrophobicContact CB-CB 4.39Å; A121-A131 HydrophobicContact CB-CB 4.02Å; A121-L134 HydrophobicContact CB-CD1 3.95Å
122Y98.3Very high97.5Very high54 Ų5433.6 Ų33.621%0.21217%0.168CC..Hα-helixtrans-73.3-50-179.7179.9-110.4000113.6A118 V119 C120 K126 A128 F160 M164 V167A118-Y122 PolarHBondContact O-N 3.39Å; V119-Y122 PolarHBondContact O-N 3.26Å; C120-Y122 VanDerWaalsContact C-N 3.3Å; C120-Y122 PolarHBondContact O-N 2.88Å; Y122-K126 WeakPolarHBondContact O-CA 3.47Å; Y122-K126 PolarHBondContact O-N 3.45Å; Y122-A128 HydrophobicContact CD2-CB 4.29Å; Y122-F160 HydrophobicContact CD1-CZ 4.25Å; Y122-F160 HydrophobicContact CG-CZ 4.37Å; Y122-M164 HydrophobicContact CD1-CE 3.96Å; Y122-M164 HydrophobicContact CD2-CE 3.66Å; Y122-M164 HydrophobicContact CD2-SD 3.48Å; Y122-M164 WeakPolarHBondContact CD2-SD 3.49Å; Y122-M164 HydrophobicContact CE1-CE 4.13Å; Y122-M164 HydrophobicContact CE2-CE 3.84Å; Y122-M164 HydrophobicContact CE2-SD 4.11Å; Y122-M164 HydrophobicContact CG-CE 3.71Å; Y122-M164 HydrophobicContact CG-SD 3.74Å; Y122-V167 HydrophobicContact CE2-CG1 4.3Å; Y122-V167 HydrophobicContact CE2-CG2 4.27Å
123F97.9Very high97.8Very high47 Ų4738.6 Ų38.621%0.20619%0.191CC..Hα-helixtrans-83.8-29.8-170.8-75.5-73.4000113.9Y88 V119 C120 K126 F160Y88-F123 HydrophobicContact CD1-CB 3.86Å; Y88-F123 AromaticContact CD1-CD2 3.96Å; Y88-F123 HydrophobicContact CD1-CD2 3.96Å; Y88-F123 AromaticContact CD1-CG 3.98Å; Y88-F123 HydrophobicContact CD1-CG 3.98Å; Y88-F123 HydrophobicContact CD2-CB 3.65Å; Y88-F123 HydrophobicContact CD2-CD1 4.41Å; Y88-F123 HydrophobicContact CD2-CG 4.11Å; Y88-F123 HydrophobicContact CE1-CB 4.04Å; Y88-F123 HydrophobicContact CE1-CD1 4.13Å; Y88-F123 AromaticContact CE1-CD2 3.53Å; Y88-F123 HydrophobicContact CE1-CD2 3.53Å; Y88-F123 HydrophobicContact CE1-CE1 4.46Å; Y88-F123 AromaticContact CE1-CE2 3.9Å; Y88-F123 HydrophobicContact CE1-CE2 3.9Å; Y88-F123 AromaticContact CE1-CG 3.64Å; Y88-F123 HydrophobicContact CE1-CG 3.64Å; Y88-F123 HydrophobicContact CE1-CZ 4.34Å; Y88-F123 HydrophobicContact CE2-CB 3.83Å; Y88-F123 AromaticContact CE2-CD1 3.71Å; Y88-F123 HydrophobicContact CE2-CD1 3.71Å; Y88-F123 HydrophobicContact CE2-CE1 4.36Å; Y88-F123 AromaticContact CE2-CG 3.78Å; Y88-F123 HydrophobicContact CE2-CG 3.78Å; Y88-F123 HydrophobicContact CG-CB 3.67Å; Y88-F123 HydrophobicContact CG-CG 4.21Å; Y88-F123 AromaticContact CZ-CD1 3.54Å; Y88-F123 AromaticContact CZ-CD2 3.84Å; Y88-F123 AromaticContact CZ-CE1 3.84Å; Y88-F123 AromaticContact CZ-CG 3.53Å; Y88-F123 WeakPolarHBondContact OH-CE1 3.47Å; V119-F123 HydrophobicContact CG1-CD2 3.85Å; V119-F123 HydrophobicContact CG1-CE2 4.35Å; V119-F123 WeakPolarHBondContact O-CB 3.46Å; V119-F123 WeakPolarHBondContact O-CD2 3.34Å; V119-F123 PolarHBondContact O-N 2.99Å; C120-F123 PolarHBondContact O-N 3.45Å; F123-K126 WeakPolarHBondContact O-CE 3.48Å; F123-K126 PolarHBondContact O-NZ 2.73Å; F123-F160 HydrophobicContact CE2-CE2 4.33Å; F123-F160 HydrophobicContact CE2-CZ 4.46Å
124I98.1Very high98Very high46 Ų4640.1 Ų40.124%0.23620%0.198CC..THydrogen-bonded Turntrans-97.7-57.9-179.8-54.5167.9000109.6Y88 L89 R92 C120 K126Y88-I124 WeakPolarHBondContact O-CD1 3.02Å; L89-I124 HydrophobicContact CD2-CD1 4.25Å; L89-I124 HydrophobicContact CD2-CG1 4.49Å; L89-I124 HydrophobicContact CD2-CG2 4.19Å; R92-I124 HydrophobicContact CB-CD1 3.98Å; C120-I124 HydrophobicContact CB-CD1 3.96Å; C120-I124 WeakPolarHBondContact O-CA 3.4Å; C120-I124 VanDerWaalsContact O-CB 3.23Å; C120-I124 WeakPolarHBondContact O-CB 3.4Å; C120-I124 PolarHBondContact O-N 2.83Å; I124-K126 VanDerWaalsContact C-N 3.29Å; I124-K126 PolarHBondContact O-N 2.93Å
125D97.8Very high98Very high85 Ų8539.3 Ų39.346%0.45519%0.193SC..SBendtrans-81.7-11.9-171.1-48.5-29.6000112.6R92 C120 A121 D127R92-D125 IonicContact CZ-OD1 3.31Å; R92-D125 VanDerWaalsContact CZ-OD1 3.23Å; R92-D125 IonicContact CZ-OD2 2.75Å; R92-D125 IonicContact NH1-OD1 2.65Å; R92-D125 PolarHBondContact NH1-OD1 2.84Å; R92-D125 IonicContact NH1-OD2 2.73Å; R92-D125 PolarHBondContact NH1-OD2 2.84Å; R92-D125 IonicContact NH2-OD1 3.48Å; R92-D125 PolarHBondContact NH2-OD1 3Å; R92-D125 IonicContact NH2-OD2 2.97Å; R92-D125 PolarHBondContact NH2-OD2 3.07Å; C120-D125 PolarHBondContact O-N 2.68Å; A121-D125 WeakPolarHBondContact CA-OD2 3.49Å; A121-D125 CarbonylContact O-C 3.35Å; A121-D125 WeakPolarHBondContact O-CA 3.21Å; A121-D125 WeakPolarHBondContact O-CB 3.15Å; A121-D125 PolarHBondContact O-N 3.17Å; D125-D127 PolarHBondContact O-N 2.92Å
126K97.7Very high98Very high160 Ų16041.1 Ų41.170%0.69621%0.209SC*.  trans60.229.1-178.4-51.7-54.8-173.4-1690113.4A121 Y122 F123 I124A121-K126 PolarHBondContact O-N 3.09Å; Y122-K126 WeakPolarHBondContact O-CA 3.47Å; Y122-K126 PolarHBondContact O-N 3.45Å; F123-K126 WeakPolarHBondContact O-CE 3.48Å; F123-K126 PolarHBondContact O-NZ 2.73Å; I124-K126 VanDerWaalsContact C-N 3.29Å; I124-K126 PolarHBondContact O-N 2.93Å
127D98.3Very high98Very high73 Ų7345.9 Ų45.939%0.3923%0.231SC..  trans-110.4103.9-179-167.9-22.9000110.7A121 D125 E129 A130 A131A121-D127 PolarHBondContact O-N 2.85Å; D125-D127 PolarHBondContact O-N 2.92Å; D127-E129 PolarHBondContact OD1-N 3.2Å; D127-A130 HydrophobicContact CB-CB 3.95Å; D127-A130 VanDerWaalsContact CG-CB 3.4Å; D127-A130 PolarHBondContact OD1-N 3.12Å; D127-A130 WeakPolarHBondContact OD2-CB 3.48Å; D127-A131 VanDerWaalsContact O-CB 3.31Å; D127-A131 WeakPolarHBondContact O-CB 3.34Å; D127-A131 PolarHBondContact O-N 3.35Å
128A97.9Very high97.8Very high12 Ų1242.7 Ų42.710%0.09922%0.217CC..Hα-helixtrans-77.6-26.917900000113Y122 L132 M164 V167 L168Y122-A128 HydrophobicContact CD2-CB 4.29Å; A128-L132 WeakPolarHBondContact O-CB 3.37Å; A128-L132 PolarHBondContact O-N 3.32Å; A128-M164 HydrophobicContact CB-SD 4.27Å; A128-V167 HydrophobicContact CB-CG1 4.04Å; A128-L168 HydrophobicContact CB-CD1 4.43Å; A128-L168 HydrophobicContact CB-CD2 3.84Å; A128-L168 HydrophobicContact CB-CG 4.01Å
129E98.2Very high97.6Very high71 Ų7143.8 Ų43.833%0.33222%0.223SC..Hα-helixtrans-72.5-50176.9-70.6-69.1178.100110D127 A131 L132 E133 L168 R170D127-E129 PolarHBondContact OD1-N 3.2Å; E129-A131 PolarHBondContact O-N 2.65Å; E129-L132 WeakPolarHBondContact O-CA 3.42Å; E129-L132 WeakPolarHBondContact O-CB 3.47Å; E129-L132 PolarHBondContact O-N 2.76Å; E129-E133 WeakPolarHBondContact O-CG 3.33Å; E129-E133 PolarHBondContact O-N 3.31Å; E129-L168 HydrophobicContact CG-CD1 4.26Å; E129-L168 HydrophobicContact CG-CD2 3.94Å; E129-L168 WeakPolarHBondContact OE1-CD2 3.38Å; E129-R170 IonicContact OE1-CZ 3.85Å; E129-R170 IonicContact OE1-NH2 3.02Å; E129-R170 PolarHBondContact OE1-NH2 3.34Å; E129-R170 IonicContact OE2-CZ 3.97Å; E129-R170 IonicContact OE2-NH1 3.06Å; E129-R170 IonicContact OE2-NH2 3.09Å; E129-R170 PolarHBondContact OE2-NH2 3.04Å
130A98.3Very high97.4Very high27 Ų2748 Ų4822%0.22325%0.252CS..Hα-helixtrans-59-39175.800000111.4A121 D127 E133 L134A121-A130 HydrophobicContact CB-CB 4.39Å; D127-A130 HydrophobicContact CB-CB 3.95Å; D127-A130 VanDerWaalsContact CG-CB 3.4Å; D127-A130 PolarHBondContact OD1-N 3.12Å; D127-A130 WeakPolarHBondContact OD2-CB 3.48Å; A130-E133 PolarHBondContact O-N 3.06Å; A130-L134 WeakPolarHBondContact O-CB 3.5Å; A130-L134 WeakPolarHBondContact O-CD1 3.46Å; A130-L134 VanDerWaalsContact O-CG 3.29Å; A130-L134 WeakPolarHBondContact O-CG 3.38Å; A130-L134 PolarHBondContact O-N 2.73Å
131A98.5Very high97Very high0 Ų048.9 Ų48.90%026%0.257CS..Hα-helixtrans-61.9-43.4173.600000112.3A118 A121 D127 E129 L134 V135 F160 M164A118-A131 HydrophobicContact CB-CB 4.34Å; A118-A131 WeakPolarHBondContact CB-O 3.49Å; A118-A131 WeakPolarHBondContact O-CB 3.29Å; A121-A131 HydrophobicContact CB-CB 4.02Å; D127-A131 VanDerWaalsContact O-CB 3.31Å; D127-A131 WeakPolarHBondContact O-CB 3.34Å; D127-A131 PolarHBondContact O-N 3.35Å; E129-A131 PolarHBondContact O-N 2.65Å; A131-L134 PolarHBondContact O-N 2.92Å; A131-V135 WeakPolarHBondContact O-CG2 3.42Å; A131-V135 PolarHBondContact O-N 3.41Å; A131-F160 HydrophobicContact CB-CE1 4.32Å; A131-M164 HydrophobicContact CB-CG 4Å; A131-M164 HydrophobicContact CB-SD 3.63Å
132L98.2Very high96.1Very high11 Ų1154 Ų546%0.05829%0.29CS..Hα-helixtrans-65.5-41177.6-177.358.7000111.9A128 E129 V135 A136 A161 M164 L168 R170 Y177A128-L132 WeakPolarHBondContact O-CB 3.37Å; A128-L132 PolarHBondContact O-N 3.32Å; E129-L132 WeakPolarHBondContact O-CA 3.42Å; E129-L132 WeakPolarHBondContact O-CB 3.47Å; E129-L132 PolarHBondContact O-N 2.76Å; L132-V135 PolarHBondContact O-N 3.47Å; L132-A136 WeakPolarHBondContact O-CB 3.37Å; L132-A136 PolarHBondContact O-N 2.97Å; L132-A161 HydrophobicContact CD1-CB 4.07Å; L132-M164 HydrophobicContact CB-CB 3.95Å; L132-M164 HydrophobicContact CD1-CB 4.18Å; L132-L168 HydrophobicContact CB-CD1 4.47Å; L132-L168 HydrophobicContact CD2-CD1 3.85Å; L132-R170 VanDerWaalsContact CD2-NH1 3.29Å; L132-Y177 HydrophobicContact CD1-CE2 4.47Å
133E98.2Very high94.9Very high121 Ų12152.8 Ų52.857%0.56529%0.289SS*.Hα-helixtrans-60.1-46.4174.9-72-178.3177.200111.8E129 A130 V135 A136 Q137E129-E133 WeakPolarHBondContact O-CG 3.33Å; E129-E133 PolarHBondContact O-N 3.31Å; A130-E133 PolarHBondContact O-N 3.06Å; E133-V135 VanDerWaalsContact C-N 3.33Å; E133-V135 PolarHBondContact O-N 2.89Å; E133-A136 WeakPolarHBondContact O-CB 3.42Å; E133-A136 PolarHBondContact O-N 2.92Å; E133-Q137 WeakPolarHBondContact O-CG 3.41Å; E133-Q137 PolarHBondContact O-N 3.32Å
134L98.1Very high93.3Very high38 Ų3853.9 Ų53.920%0.19930%0.302CS..Hα-helixtrans-61.7-40.3177.1-74.7164.3000112C114 K117 A118 A121 A130 A131 Q137 G138C114-L134 WeakPolarHBondContact CB-O 3.4Å; K117-L134 HydrophobicContact CB-CD1 4.02Å; K117-L134 HydrophobicContact CB-CD2 4.08Å; A118-L134 HydrophobicContact CB-CB 3.87Å; A121-L134 HydrophobicContact CB-CD1 3.95Å; A130-L134 WeakPolarHBondContact O-CB 3.5Å; A130-L134 WeakPolarHBondContact O-CD1 3.46Å; A130-L134 VanDerWaalsContact O-CG 3.29Å; A130-L134 WeakPolarHBondContact O-CG 3.38Å; A130-L134 PolarHBondContact O-N 2.73Å; A131-L134 PolarHBondContact O-N 2.92Å; L134-Q137 WeakPolarHBondContact O-CB 3.43Å; L134-Q137 PolarHBondContact O-N 3.05Å; L134-G138 PolarHBondContact O-N 3.25Å
135V97.5Very high91.6Very high0 Ų060 Ų600%033%0.327CS..Hα-helixtrans-66-42.1174.11750000111.5A118 A131 L132 E133 Q137 G138 L139 L157 F160 A161A118-V135 HydrophobicContact CB-CG2 3.53Å; A131-V135 WeakPolarHBondContact O-CG2 3.42Å; A131-V135 PolarHBondContact O-N 3.41Å; L132-V135 PolarHBondContact O-N 3.47Å; E133-V135 VanDerWaalsContact C-N 3.33Å; E133-V135 PolarHBondContact O-N 2.89Å; V135-Q137 VanDerWaalsContact C-N 3.31Å; V135-Q137 PolarHBondContact O-N 3.12Å; V135-G138 PolarHBondContact O-N 3.41Å; V135-G138 VanDerWaalsContact O-N 3.15Å; V135-L139 HydrophobicContact CG1-CD1 3.93Å; V135-L139 HydrophobicContact CG1-CG 4.19Å; V135-L139 WeakPolarHBondContact O-CG 3.45Å; V135-L139 PolarHBondContact O-N 3.28Å; V135-L157 HydrophobicContact CB-CD2 4.27Å; V135-L157 HydrophobicContact CG1-CB 4.02Å; V135-L157 HydrophobicContact CG1-CD2 3.89Å; V135-L157 WeakPolarHBondContact CG1-O 3.4Å; V135-L157 HydrophobicContact CG2-CD2 4.26Å; V135-F160 HydrophobicContact CG2-CB 4.18Å; V135-F160 HydrophobicContact CG2-CD1 3.7Å; V135-F160 HydrophobicContact CG2-CG 4.39Å; V135-A161 HydrophobicContact CG1-CB 3.67Å
136A96.8Very high89.6Confident44 Ų4464.4 Ų64.436%0.36434%0.342SS..Hα-helixtrans-61.3-40.5177.300000111.6L132 E133 L139 S140L132-A136 WeakPolarHBondContact O-CB 3.37Å; L132-A136 PolarHBondContact O-N 2.97Å; E133-A136 WeakPolarHBondContact O-CB 3.42Å; E133-A136 PolarHBondContact O-N 2.92Å; A136-L139 PolarHBondContact O-N 3.4Å; A136-S140 PolarHBondContact O-N 3.43Å
137Q96Very high87.3Confident101 Ų10165.4 Ų65.447%0.47234%0.343SS..Hα-helixtrans-57.4-50.1171.6-70.6171.733.400110.6E133 L134 V135 L139 S140E133-Q137 WeakPolarHBondContact O-CG 3.41Å; E133-Q137 PolarHBondContact O-N 3.32Å; L134-Q137 WeakPolarHBondContact O-CB 3.43Å; L134-Q137 PolarHBondContact O-N 3.05Å; V135-Q137 VanDerWaalsContact C-N 3.31Å; V135-Q137 PolarHBondContact O-N 3.12Å; Q137-L139 PolarHBondContact O-N 3Å; Q137-S140 PolarHBondContact O-N 3.48Å; Q137-S140 PolarHBondContact O-OG 2.92Å
138G94.9Very high85Confident0 Ų067.2 Ų67.20%035%0.353CS..Hα-helixtrans-57.6-44.817600000112.9Q111 L134 V135 S140 I141Q111-G138 WeakPolarHBondContact CG-O 3.24Å; L134-G138 PolarHBondContact O-N 3.25Å; V135-G138 PolarHBondContact O-N 3.41Å; V135-G138 VanDerWaalsContact O-N 3.15Å; G138-S140 PolarHBondContact O-N 3.11Å; G138-I141 WeakPolarHBondContact O-CB 3.49Å; G138-I141 PolarHBondContact O-N 3.5Å
139L93.9Very high83Confident23 Ų2368.8 Ų68.812%0.1237%0.37CS..Hα-helixtrans-65.6-25.6-179.9-71.9173.2000113.9V135 A136 Q137 I141 R154 L157 L158 A161 Y177V135-L139 HydrophobicContact CG1-CD1 3.93Å; V135-L139 HydrophobicContact CG1-CG 4.19Å; V135-L139 WeakPolarHBondContact O-CG 3.45Å; V135-L139 PolarHBondContact O-N 3.28Å; A136-L139 PolarHBondContact O-N 3.4Å; Q137-L139 PolarHBondContact O-N 3Å; L139-I141 VanDerWaalsContact C-N 3.3Å; L139-R154 HydrophobicContact CD2-CG 4.14Å; L139-R154 PolarHBondContact O-NH1 2.66Å; L139-L157 HydrophobicContact CD2-CB 3.57Å; L139-L157 HydrophobicContact CD2-CD1 4.33Å; L139-L157 HydrophobicContact CG-CB 3.94Å; L139-L158 HydrophobicContact CD1-CD2 3.91Å; L139-L158 HydrophobicContact CD2-CD2 3.73Å; L139-L158 HydrophobicContact CD2-CG 3.7Å; L139-L158 HydrophobicContact CG-CD2 4.5Å; L139-A161 HydrophobicContact CD1-CB 4.36Å; L139-Y177 HydrophobicContact CD1-CD1 4.45Å; L139-Y177 HydrophobicContact CD1-CE1 4.02Å
140S93.5Very high81.2Confident89 Ų8966.9 Ų66.962%0.62236%0.36SS*.Hα-helixtrans-76.3-16.3177.674.80000113.6A136 Q137 G138 C142A136-S140 PolarHBondContact O-N 3.43Å; Q137-S140 PolarHBondContact O-N 3.48Å; Q137-S140 PolarHBondContact O-OG 2.92Å; G138-S140 PolarHBondContact O-N 3.11Å; S140-C142 PolarHBondContact O-N 3.13Å
141I90.9Very high80.2Confident21 Ų2168 Ų6811%0.10836%0.36CS..  trans-72.1111.9175.8-58.2172.4000109D107 R110 Q111 G138 L139 V143D107-I141 HydrophobicContact CB-CG2 3.54Å; R110-I141 HydrophobicContact CB-CD1 3.6Å; Q111-I141 HydrophobicContact CG-CB 3.95Å; Q111-I141 HydrophobicContact CG-CD1 4.3Å; Q111-I141 HydrophobicContact CG-CG2 4.22Å; Q111-I141 PolarHBondContact NE2-O 3.08Å; G138-I141 WeakPolarHBondContact O-CB 3.49Å; G138-I141 PolarHBondContact O-N 3.5Å; L139-I141 VanDerWaalsContact C-N 3.3Å; I141-V143 HydrophobicContact CG2-CG2 4.34Å; I141-V143 PolarHBondContact O-N 3.46Å
142C80Confident79.8Confident110 Ų11068.9 Ų68.974%0.74337%0.365SS*.  trans-77.8107.4174.6-700000110S140S140-C142 PolarHBondContact O-N 3.13Å
143V72.4Confident79.4Confident30 Ų3068.7 Ų68.718%0.18236%0.364CS..  trans-88.9159.2170.4-174.30000106.7D107 K108 Q111 I141 Y150D107-V143 HydrophobicContact CB-CB 4.19Å; D107-V143 HydrophobicContact CB-CG1 4.38Å; D107-V143 HydrophobicContact CB-CG2 3.55Å; K108-V143 HydrophobicContact CB-CG1 4.35Å; Q111-V143 HydrophobicContact CG-CG2 4.24Å; I141-V143 HydrophobicContact CG2-CG2 4.34Å; I141-V143 PolarHBondContact O-N 3.46Å; V143-Y150 VanDerWaalsContact C-OH 3.22Å; V143-Y150 VanDerWaalsContact CA-OH 3.3Å; V143-Y150 WeakPolarHBondContact CA-OH 3.44Å; V143-Y150 HydrophobicContact CB-CD2 3.88Å; V143-Y150 HydrophobicContact CB-CE2 3.05Å; V143-Y150 VanDerWaalsContact CB-CZ 3.41Å; V143-Y150 VanDerWaalsContact CB-OH 3.29Å; V143-Y150 WeakPolarHBondContact CB-OH 3.48Å; V143-Y150 HydrophobicContact CG1-CD2 3.54Å; V143-Y150 HydrophobicContact CG1-CE2 3.2Å; V143-Y150 HydrophobicContact CG2-CE2 4.32Å; V143-Y150 PolarHBondContact N-OH 3.28Å; V143-Y150 VanDerWaalsContact N-OH 3.09Å; V143-Y150 VanDerWaalsContact O-CE2 3.24Å; V143-Y150 WeakPolarHBondContact O-CE2 3.35Å; V143-Y150 VanDerWaalsContact O-CZ 3.32Å; V143-Y150 PolarHBondContact O-OH 3.15Å
144S65.2Low79.1Confident69 Ų6966.4 Ų66.448%0.48335%0.35SS..  trans-78.2129.9171.2170.90000113.9K146 Y150S144-K146 PolarHBondContact O-N 2.97Å; S144-K146 PolarHBondContact OG-N 2.85Å; S144-Y150 WeakPolarHBondContact O-CD2 3.41Å; S144-Y150 WeakPolarHBondContact O-CE2 3.4Å
145K60.6Low78.9Confident176 Ų17664.6 Ų64.677%0.76534%0.341SS*.THydrogen-bonded Turntrans-62.9-1.2178.5-68.5-174.1179.8-178.70115.8Y147K145-Y147 VanDerWaalsContact C-N 3.3Å; K145-Y147 PolarHBondContact O-N 3.39Å
146K55.9Low78.7Confident177 Ų17764.9 Ų64.977%0.7734%0.343SS*.THydrogen-bonded Turntrans-74.8-5.2-169.8-94.4-172.5174.4-176.90116.1S144S144-K146 PolarHBondContact O-N 2.97Å; S144-K146 PolarHBondContact OG-N 2.85Å
147Y51.1Low78.7Confident180 Ų18062.8 Ų62.871%0.70633%0.325SS*.SBendtrans-126.3132.5-173.7-66.1-78.2000112.2K145 G149 Y150K145-Y147 VanDerWaalsContact C-N 3.3Å; K145-Y147 PolarHBondContact O-N 3.39Å; Y147-G149 VanDerWaalsContact C-N 3.26Å; Y147-G149 PolarHBondContact O-N 3.28Å; Y147-G149 VanDerWaalsContact O-N 3.07Å; Y147-Y150 VanDerWaalsContact O-CB 3.22Å; Y147-Y150 WeakPolarHBondContact O-CB 3.4Å; Y147-Y150 PolarHBondContact O-N 3.18Å; Y147-Y150 VanDerWaalsContact O-N 3.15Å
148D48.8Very low78.8Confident112 Ų11258.2 Ų58.260%0.59930%0.304SS*.THydrogen-bonded Turntrans-69.6-6.8-164.1-60.1-48.4000116.5Y192D148-Y192 HydrophobicContact CB-CD1 3.67Å; D148-Y192 HydrophobicContact CB-CE1 3.97Å; D148-Y192 HydrophobicContact CB-CG 4.24Å
149G55.1Low78.9Confident45 Ų4558.4 Ų58.446%0.46431%0.306SS..THydrogen-bonded Turntrans-100.37.3174.300000114.8Y147 F151Y147-G149 VanDerWaalsContact C-N 3.26Å; Y147-G149 PolarHBondContact O-N 3.28Å; Y147-G149 VanDerWaalsContact O-N 3.07Å; G149-F151 PolarHBondContact O-N 3.07Å; G149-F151 VanDerWaalsContact O-N 3.08Å
150Y60.5Low79.1Confident31 Ų3158 Ų5812%0.12230%0.303CS..THydrogen-bonded Turntrans-54.6-31-170-177.2-87.4000115.3V143 S144 Y147V143-Y150 VanDerWaalsContact C-OH 3.22Å; V143-Y150 VanDerWaalsContact CA-OH 3.3Å; V143-Y150 WeakPolarHBondContact CA-OH 3.44Å; V143-Y150 HydrophobicContact CB-CD2 3.88Å; V143-Y150 HydrophobicContact CB-CE2 3.05Å; V143-Y150 VanDerWaalsContact CB-CZ 3.41Å; V143-Y150 VanDerWaalsContact CB-OH 3.29Å; V143-Y150 WeakPolarHBondContact CB-OH 3.48Å; V143-Y150 HydrophobicContact CG1-CD2 3.54Å; V143-Y150 HydrophobicContact CG1-CE2 3.2Å; V143-Y150 HydrophobicContact CG2-CE2 4.32Å; V143-Y150 PolarHBondContact N-OH 3.28Å; V143-Y150 VanDerWaalsContact N-OH 3.09Å; V143-Y150 VanDerWaalsContact O-CE2 3.24Å; V143-Y150 WeakPolarHBondContact O-CE2 3.35Å; V143-Y150 VanDerWaalsContact O-CZ 3.32Å; V143-Y150 PolarHBondContact O-OH 3.15Å; S144-Y150 WeakPolarHBondContact O-CD2 3.41Å; S144-Y150 WeakPolarHBondContact O-CE2 3.4Å; Y147-Y150 VanDerWaalsContact O-CB 3.22Å; Y147-Y150 WeakPolarHBondContact O-CB 3.4Å; Y147-Y150 PolarHBondContact O-N 3.18Å; Y147-Y150 VanDerWaalsContact O-N 3.15Å
151F78.4Confident79.3Confident49 Ų4953.8 Ų53.822%0.21527%0.273CS..Hα-helixtrans-87.1-19.4-163.1-59.4-69.8000113.2G149 S153 R154 I155 L184G149-F151 PolarHBondContact O-N 3.07Å; G149-F151 VanDerWaalsContact O-N 3.08Å; F151-S153 PolarHBondContact O-N 3.06Å; F151-R154 PolarHBondContact O-N 2.74Å; F151-I155 HydrophobicContact CB-CD1 3.8Å; F151-I155 HydrophobicContact CB-CG1 4.27Å; F151-I155 WeakPolarHBondContact O-CB 3.37Å; F151-I155 WeakPolarHBondContact O-CD1 3.28Å; F151-I155 WeakPolarHBondContact O-CG1 3.49Å; F151-I155 PolarHBondContact O-N 3.18Å; F151-L184 HydrophobicContact CB-CD2 4.45Å; F151-L184 HydrophobicContact CB-CG 4.24Å; F151-L184 HydrophobicContact CD1-CD1 3.32Å; F151-L184 HydrophobicContact CD1-CD2 4.01Å; F151-L184 HydrophobicContact CD1-CG 3.79Å; F151-L184 HydrophobicContact CE1-CD1 3.66Å; F151-L184 HydrophobicContact CG-CD1 4.14Å; F151-L184 HydrophobicContact CG-CG 4.29Å
152D89Confident79.7Confident20 Ų2052.8 Ų52.811%0.10727%0.268CS..Hα-helixtrans-55.9-54.4-174-71.6-14.2000112.8R154 I155 L156 S193 R195D152-R154 VanDerWaalsContact C-N 3.31Å; D152-R154 PolarHBondContact O-N 3.44Å; D152-I155 PolarHBondContact O-N 2.89Å; D152-L156 WeakPolarHBondContact O-CB 3.45Å; D152-L156 VanDerWaalsContact O-CG 3.27Å; D152-L156 WeakPolarHBondContact O-CG 3.24Å; D152-L156 PolarHBondContact O-N 3.45Å; D152-S193 VanDerWaalsContact CG-OG 3.22Å; D152-S193 VanDerWaalsContact OD1-CB 3.23Å; D152-S193 WeakPolarHBondContact OD1-CB 3.43Å; D152-S193 PolarHBondContact OD1-OG 2.75Å; D152-S193 PolarHBondContact OD2-OG 3.1Å; D152-S193 VanDerWaalsContact OD2-OG 3.12Å; D152-R195 HydrophobicContact CB-CG 4.21Å; D152-R195 WeakPolarHBondContact OD2-CG 3.36Å; D152-R195 IonicContact OD2-NE 3.22Å
153S89.8Confident80.6Confident7 Ų749.4 Ų49.45%0.04924%0.241CC..Hα-helixtrans-60.4-42.8-179.952.10000111.3Q111 F151 L156 L157Q111-S153 PolarHBondContact OE1-OG 3.18Å; F151-S153 PolarHBondContact O-N 3.06Å; S153-L156 PolarHBondContact O-N 3.42Å; S153-L157 WeakPolarHBondContact O-CB 3.47Å; S153-L157 VanDerWaalsContact O-CG 3.24Å; S153-L157 WeakPolarHBondContact O-CG 3.45Å; S153-L157 PolarHBondContact O-N 2.87Å
154R91.9Very high81.8Confident72 Ų7248 Ų4827%0.27223%0.232SC..Hα-helixtrans-68.4-40179-169.2172.9-174.979.31.9112.3L139 F151 D152 L157 L158 L184L139-R154 HydrophobicContact CD2-CG 4.14Å; L139-R154 PolarHBondContact O-NH1 2.66Å; F151-R154 PolarHBondContact O-N 2.74Å; D152-R154 VanDerWaalsContact C-N 3.31Å; D152-R154 PolarHBondContact O-N 3.44Å; R154-L157 PolarHBondContact O-N 2.83Å; R154-L158 HydrophobicContact CG-CD1 4.1Å; R154-L158 HydrophobicContact CG-CG 4.4Å; R154-L158 WeakPolarHBondContact O-CB 3.43Å; R154-L158 VanDerWaalsContact O-CG 3.26Å; R154-L158 WeakPolarHBondContact O-CG 3.46Å; R154-L158 PolarHBondContact O-N 3.46Å; R154-L184 HydrophobicContact CB-CD2 4.06Å; R154-L184 HydrophobicContact CG-CD2 3.83Å
155I93.9Very high83.4Confident0 Ų044.7 Ų44.70%021%0.209CC..Hα-helixtrans-62.4-46.9175.7-68.7164.6000109.3F151 D152 L158 S159 S181 L184 F185 M188 L198 L201F151-I155 HydrophobicContact CB-CD1 3.8Å; F151-I155 HydrophobicContact CB-CG1 4.27Å; F151-I155 WeakPolarHBondContact O-CB 3.37Å; F151-I155 WeakPolarHBondContact O-CD1 3.28Å; F151-I155 WeakPolarHBondContact O-CG1 3.49Å; F151-I155 PolarHBondContact O-N 3.18Å; D152-I155 PolarHBondContact O-N 2.89Å; I155-L158 PolarHBondContact O-N 3.15Å; I155-S159 VanDerWaalsContact O-CB 3.3Å; I155-S159 WeakPolarHBondContact O-CB 3.44Å; I155-S159 PolarHBondContact O-N 3.03Å; I155-S181 WeakPolarHBondContact CG2-OG 3.3Å; I155-S181 PolarHBondContact O-OG 3.05Å; I155-L184 HydrophobicContact CD1-CG 4.4Å; I155-L184 HydrophobicContact CG1-CB 4.13Å; I155-L184 HydrophobicContact CG1-CD2 3.78Å; I155-L184 HydrophobicContact CG1-CG 3.87Å; I155-F185 HydrophobicContact CD1-CB 4.12Å; I155-F185 HydrophobicContact CD1-CD2 4.26Å; I155-M188 HydrophobicContact CD1-SD 4.08Å; I155-L198 HydrophobicContact CB-CD2 4.01Å; I155-L198 HydrophobicContact CG2-CD2 3.71Å; I155-L201 HydrophobicContact CG2-CD2 3.92Å
156L95.1Very high85.1Confident6 Ų637.5 Ų37.53%0.03118%0.181CC..Hα-helixtrans-60.3-47.1176.7-71.9171000112.1F80 L112 F115 D152 S153 S159 F160 E197 L198F80-L156 HydrophobicContact CE1-CD1 3.69Å; F80-L156 HydrophobicContact CZ-CD1 3.6Å; L112-L156 HydrophobicContact CD2-CD1 4.45Å; F115-L156 HydrophobicContact CD2-CB 4.01Å; F115-L156 HydrophobicContact CE2-CB 3.92Å; F115-L156 HydrophobicContact CG-CB 4.49Å; F115-L156 HydrophobicContact CZ-CB 4.32Å; F115-L156 HydrophobicContact CZ-CD2 4.35Å; D152-L156 WeakPolarHBondContact O-CB 3.45Å; D152-L156 VanDerWaalsContact O-CG 3.27Å; D152-L156 WeakPolarHBondContact O-CG 3.24Å; D152-L156 PolarHBondContact O-N 3.45Å; S153-L156 PolarHBondContact O-N 3.42Å; L156-S159 PolarHBondContact O-N 3.42Å; L156-F160 WeakPolarHBondContact O-CB 3.18Å; L156-F160 PolarHBondContact O-N 3.23Å; L156-E197 HydrophobicContact CD2-CB 4.23Å; L156-L198 HydrophobicContact CD2-CD2 3.91Å; L156-L198 HydrophobicContact CG-CD2 3.82Å
157L96.6Very high87.1Confident0 Ų032.4 Ų32.40%017%0.165CC..Hα-helixtrans-59.4-53175.7-76.1166.9000111.2Q111 C114 F115 V135 L139 S153 R154 S159 F160 A161Q111-L157 HydrophobicContact CB-CD1 3.81Å; Q111-L157 HydrophobicContact CG-CD1 4.01Å; C114-L157 HydrophobicContact CB-CD2 4.47Å; F115-L157 HydrophobicContact CB-CD2 3.8Å; F115-L157 HydrophobicContact CB-CG 4.25Å; V135-L157 HydrophobicContact CB-CD2 4.27Å; V135-L157 HydrophobicContact CG1-CB 4.02Å; V135-L157 HydrophobicContact CG1-CD2 3.89Å; V135-L157 WeakPolarHBondContact CG1-O 3.4Å; V135-L157 HydrophobicContact CG2-CD2 4.26Å; L139-L157 HydrophobicContact CD2-CB 3.57Å; L139-L157 HydrophobicContact CD2-CD1 4.33Å; L139-L157 HydrophobicContact CG-CB 3.94Å; S153-L157 WeakPolarHBondContact O-CB 3.47Å; S153-L157 VanDerWaalsContact O-CG 3.24Å; S153-L157 WeakPolarHBondContact O-CG 3.45Å; S153-L157 PolarHBondContact O-N 2.87Å; R154-L157 PolarHBondContact O-N 2.83Å; L157-S159 VanDerWaalsContact C-N 3.3Å; L157-S159 PolarHBondContact O-N 3.29Å; L157-F160 PolarHBondContact O-N 3.32Å; L157-F160 VanDerWaalsContact O-N 3.09Å; L157-A161 PolarHBondContact O-N 2.95Å
158L96.9Very high89.3Confident5 Ų526 Ų263%0.02614%0.142CC..Hα-helixtrans-58.8-41.6178.2-71.2169.1000111.6L139 R154 I155 F160 A161 G162 Y177 Q180 L184L139-L158 HydrophobicContact CD1-CD2 3.91Å; L139-L158 HydrophobicContact CD2-CD2 3.73Å; L139-L158 HydrophobicContact CD2-CG 3.7Å; L139-L158 HydrophobicContact CG-CD2 4.5Å; R154-L158 HydrophobicContact CG-CD1 4.1Å; R154-L158 HydrophobicContact CG-CG 4.4Å; R154-L158 WeakPolarHBondContact O-CB 3.43Å; R154-L158 VanDerWaalsContact O-CG 3.26Å; R154-L158 WeakPolarHBondContact O-CG 3.46Å; R154-L158 PolarHBondContact O-N 3.46Å; I155-L158 PolarHBondContact O-N 3.15Å; L158-F160 VanDerWaalsContact C-N 3.33Å; L158-F160 PolarHBondContact O-N 3.18Å; L158-A161 PolarHBondContact O-N 3.39Å; L158-G162 PolarHBondContact O-N 2.89Å; L158-Y177 HydrophobicContact CD2-CD1 3.91Å; L158-Q180 HydrophobicContact CD1-CB 4.07Å; L158-Q180 HydrophobicContact CD2-CB 4.22Å; L158-L184 HydrophobicContact CD1-CD2 3.99Å
159S97.5Very high91.7Very high5 Ų528.3 Ų28.34%0.03515%0.149CC..Hα-helixtrans-64-38.5176.8176.70000112.1I155 L156 L157 K163 Y178 S181 L201I155-S159 VanDerWaalsContact O-CB 3.3Å; I155-S159 WeakPolarHBondContact O-CB 3.44Å; I155-S159 PolarHBondContact O-N 3.03Å; L156-S159 PolarHBondContact O-N 3.42Å; L157-S159 VanDerWaalsContact C-N 3.3Å; L157-S159 PolarHBondContact O-N 3.29Å; S159-K163 PolarHBondContact O-N 3Å; S159-Y178 WeakPolarHBondContact O-CE1 3.21Å; S159-S181 PolarHBondContact N-OG 3.43Å; S159-L201 WeakPolarHBondContact OG-CA 3.41Å
160F98.2Very high93.7Very high14 Ų1430.1 Ų30.16%0.06114%0.142CC..Hα-helixtrans-74.7-37.7179.5-154.3-99.5000111.4F115 A118 V119 Y122 F123 A131 V135 L156 L157 L158 G162 K163 M164F115-F160 HydrophobicContact CD2-CB 4.28Å; F115-F160 HydrophobicContact CE2-CB 4.05Å; F115-F160 HydrophobicContact CE2-CD2 4.09Å; F115-F160 HydrophobicContact CE2-CG 4.2Å; A118-F160 HydrophobicContact CB-CD1 4.08Å; A118-F160 HydrophobicContact CB-CE1 3.97Å; V119-F160 HydrophobicContact CG2-CE2 3.97Å; V119-F160 HydrophobicContact CG2-CZ 4.04Å; Y122-F160 HydrophobicContact CD1-CZ 4.25Å; Y122-F160 HydrophobicContact CG-CZ 4.37Å; F123-F160 HydrophobicContact CE2-CE2 4.33Å; F123-F160 HydrophobicContact CE2-CZ 4.46Å; A131-F160 HydrophobicContact CB-CE1 4.32Å; V135-F160 HydrophobicContact CG2-CB 4.18Å; V135-F160 HydrophobicContact CG2-CD1 3.7Å; V135-F160 HydrophobicContact CG2-CG 4.39Å; L156-F160 WeakPolarHBondContact O-CB 3.18Å; L156-F160 PolarHBondContact O-N 3.23Å; L157-F160 PolarHBondContact O-N 3.32Å; L157-F160 VanDerWaalsContact O-N 3.09Å; L158-F160 VanDerWaalsContact C-N 3.33Å; L158-F160 PolarHBondContact O-N 3.18Å; F160-G162 VanDerWaalsContact C-N 3.34Å; F160-G162 PolarHBondContact O-N 3Å; F160-K163 WeakPolarHBondContact O-CB 3.31Å; F160-K163 PolarHBondContact O-N 3.46Å; F160-K163 VanDerWaalsContact O-N 3.13Å; F160-M164 HydrophobicContact CD1-CE 4.34Å; F160-M164 HydrophobicContact CD1-CG 3.93Å; F160-M164 HydrophobicContact CD1-SD 4.39Å; F160-M164 HydrophobicContact CE1-CE 3.86Å; F160-M164 HydrophobicContact CE1-CG 3.96Å; F160-M164 HydrophobicContact CE1-SD 3.83Å; F160-M164 HydrophobicContact CE2-CE 4.41Å; F160-M164 HydrophobicContact CZ-CE 3.9Å; F160-M164 HydrophobicContact CZ-SD 4.35Å; F160-M164 WeakPolarHBondContact O-CG 3.39Å; F160-M164 PolarHBondContact O-N 3.44Å
161A98.5Very high95.4Very high0 Ų031.5 Ų31.50%015%0.151CC..Hα-helixtrans-56.1-48.717000000110.8L132 V135 L139 L157 L158 K163 M164 S165 Y177L132-A161 HydrophobicContact CD1-CB 4.07Å; V135-A161 HydrophobicContact CG1-CB 3.67Å; L139-A161 HydrophobicContact CD1-CB 4.36Å; L157-A161 PolarHBondContact O-N 2.95Å; L158-A161 PolarHBondContact O-N 3.39Å; A161-K163 PolarHBondContact O-N 3.25Å; A161-M164 PolarHBondContact O-N 3.43Å; A161-M164 VanDerWaalsContact O-N 3.12Å; A161-S165 WeakPolarHBondContact O-CB 3.27Å; A161-S165 PolarHBondContact O-N 3.29Å; A161-S165 PolarHBondContact O-OG 3.39Å; A161-Y177 HydrophobicContact CB-CD1 3.75Å; A161-Y177 HydrophobicContact CB-CD2 3.71Å; A161-Y177 HydrophobicContact CB-CE1 4.02Å; A161-Y177 HydrophobicContact CB-CE2 3.98Å; A161-Y177 HydrophobicContact CB-CG 3.59Å
162G98.5Very high96.3Very high0 Ų035.9 Ų35.90%018%0.177CC..Hα-helixtrans-55.8-40.617600000112.7L158 F160 S166 A174 Y178L158-G162 PolarHBondContact O-N 2.89Å; F160-G162 VanDerWaalsContact C-N 3.34Å; F160-G162 PolarHBondContact O-N 3Å; G162-S166 WeakPolarHBondContact O-CB 3.49Å; G162-S166 PolarHBondContact O-N 2.98Å; G162-A174 WeakPolarHBondContact O-CB 3.44Å; G162-Y178 WeakPolarHBondContact O-CE2 3.5Å
163K98.1Very high96.8Very high40 Ų4038.9 Ų38.917%0.17419%0.19CC..Hα-helixtrans-65.2-47.1175.4-172.2-175.6175.5179.70112.2S159 F160 A161 S166 V167 Y178S159-K163 PolarHBondContact O-N 3Å; F160-K163 WeakPolarHBondContact O-CB 3.31Å; F160-K163 PolarHBondContact O-N 3.46Å; F160-K163 VanDerWaalsContact O-N 3.13Å; A161-K163 PolarHBondContact O-N 3.25Å; K163-S166 PolarHBondContact O-N 3.2Å; K163-V167 WeakPolarHBondContact O-CG2 3.47Å; K163-V167 PolarHBondContact O-N 2.87Å; K163-Y178 WeakPolarHBondContact CA-OH 3.45Å; K163-Y178 PolarHBondContact N-OH 2.84Å; K163-Y178 VanDerWaalsContact N-OH 3.15Å
164M98.3Very high97.2Very high0 Ų038.6 Ų38.60%019%0.188CC..Hα-helixtrans-65.4-46.9-179.6-63.9-54.99300111Y122 A128 A131 L132 F160 A161 S166 V167 L168Y122-M164 HydrophobicContact CD1-CE 3.96Å; Y122-M164 HydrophobicContact CD2-CE 3.66Å; Y122-M164 HydrophobicContact CD2-SD 3.48Å; Y122-M164 WeakPolarHBondContact CD2-SD 3.49Å; Y122-M164 HydrophobicContact CE1-CE 4.13Å; Y122-M164 HydrophobicContact CE2-CE 3.84Å; Y122-M164 HydrophobicContact CE2-SD 4.11Å; Y122-M164 HydrophobicContact CG-CE 3.71Å; Y122-M164 HydrophobicContact CG-SD 3.74Å; A128-M164 HydrophobicContact CB-SD 4.27Å; A131-M164 HydrophobicContact CB-CG 4Å; A131-M164 HydrophobicContact CB-SD 3.63Å; L132-M164 HydrophobicContact CB-CB 3.95Å; L132-M164 HydrophobicContact CD1-CB 4.18Å; F160-M164 HydrophobicContact CD1-CE 4.34Å; F160-M164 HydrophobicContact CD1-CG 3.93Å; F160-M164 HydrophobicContact CD1-SD 4.39Å; F160-M164 HydrophobicContact CE1-CE 3.86Å; F160-M164 HydrophobicContact CE1-CG 3.96Å; F160-M164 HydrophobicContact CE1-SD 3.83Å; F160-M164 HydrophobicContact CE2-CE 4.41Å; F160-M164 HydrophobicContact CZ-CE 3.9Å; F160-M164 HydrophobicContact CZ-SD 4.35Å; F160-M164 WeakPolarHBondContact O-CG 3.39Å; F160-M164 PolarHBondContact O-N 3.44Å; A161-M164 PolarHBondContact O-N 3.43Å; A161-M164 VanDerWaalsContact O-N 3.12Å; M164-S166 PolarHBondContact O-N 3.37Å; M164-V167 PolarHBondContact O-N 2.98Å; M164-L168 WeakPolarHBondContact O-CB 3.35Å; M164-L168 WeakPolarHBondContact O-CG 3.41Å; M164-L168 PolarHBondContact O-N 3.14Å
165S98.2Very high97.4Very high0 Ų037.9 Ų37.90%019%0.188CC..Hα-helixtrans-57-38173.6-610000111.9A161 L168 E169 R170A161-S165 WeakPolarHBondContact O-CB 3.27Å; A161-S165 PolarHBondContact O-N 3.29Å; A161-S165 PolarHBondContact O-OG 3.39Å; S165-L168 CarbonylContact O-C 3.59Å; S165-L168 PolarHBondContact O-N 3.46Å; S165-E169 PolarHBondContact O-N 3.23Å; S165-R170 WeakPolarHBondContact O-CA 3.43Å; S165-R170 PolarHBondContact O-N 3.11Å
166S97.8Very high97.6Very high25 Ų2541.2 Ų41.218%0.17521%0.208CC..Hα-helixtrans-69-35.4175.8-177.40000113.2G162 K163 M164 L168 E169G162-S166 WeakPolarHBondContact O-CB 3.49Å; G162-S166 PolarHBondContact O-N 2.98Å; K163-S166 PolarHBondContact O-N 3.2Å; M164-S166 PolarHBondContact O-N 3.37Å; S166-L168 VanDerWaalsContact C-N 3.34Å; S166-E169 PolarHBondContact O-N 3.49Å
167V97.3Very high97.8Very high70 Ų7043.5 Ų43.542%0.42422%0.217SC..Hα-helixtrans-68.6-37.2175.7169.10000110.5Y122 A128 K163 M164 E169Y122-V167 HydrophobicContact CE2-CG1 4.3Å; Y122-V167 HydrophobicContact CE2-CG2 4.27Å; A128-V167 HydrophobicContact CB-CG1 4.04Å; K163-V167 WeakPolarHBondContact O-CG2 3.47Å; K163-V167 PolarHBondContact O-N 2.87Å; M164-V167 PolarHBondContact O-N 2.98Å; V167-E169 PolarHBondContact O-N 2.88Å
168L97.8Very high97.9Very high44 Ų4443.7 Ų43.723%0.2322%0.218CC..THydrogen-bonded Turntrans-80.89.6176.6-64.1168.8000113.4A128 E129 L132 M164 S165 S166 R170A128-L168 HydrophobicContact CB-CD1 4.43Å; A128-L168 HydrophobicContact CB-CD2 3.84Å; A128-L168 HydrophobicContact CB-CG 4.01Å; E129-L168 HydrophobicContact CG-CD1 4.26Å; E129-L168 HydrophobicContact CG-CD2 3.94Å; E129-L168 WeakPolarHBondContact OE1-CD2 3.38Å; L132-L168 HydrophobicContact CB-CD1 4.47Å; L132-L168 HydrophobicContact CD2-CD1 3.85Å; M164-L168 WeakPolarHBondContact O-CB 3.35Å; M164-L168 WeakPolarHBondContact O-CG 3.41Å; M164-L168 PolarHBondContact O-N 3.14Å; S165-L168 CarbonylContact O-C 3.59Å; S165-L168 PolarHBondContact O-N 3.46Å; S166-L168 VanDerWaalsContact C-N 3.34Å; L168-R170 HydrophobicContact CB-CG 4.19Å; L168-R170 PolarHBondContact O-N 3.36Å; L168-R170 VanDerWaalsContact O-N 3.07Å
169E97.3Very high97.9Very high161 Ų16146.4 Ų46.475%0.75223%0.232SC*.THydrogen-bonded Turntrans59.217.7-179.4-54-171.2162.500115.2S165 S166 V167 I171S165-E169 PolarHBondContact O-N 3.23Å; S166-E169 PolarHBondContact O-N 3.49Å; V167-E169 PolarHBondContact O-N 2.88Å; E169-I171 VanDerWaalsContact C-N 3.28Å; E169-I171 PolarHBondContact O-N 3.11Å
170R97.7Very high97.8Very high83 Ų8350.4 Ų50.431%0.31325%0.25SS..  trans-8369.6174.4-58.3176.7-171.9177.62110.3E129 L132 S165 L168 N172 E173 A174E129-R170 IonicContact OE1-CZ 3.85Å; E129-R170 IonicContact OE1-NH2 3.02Å; E129-R170 PolarHBondContact OE1-NH2 3.34Å; E129-R170 IonicContact OE2-CZ 3.97Å; E129-R170 IonicContact OE2-NH1 3.06Å; E129-R170 IonicContact OE2-NH2 3.09Å; E129-R170 PolarHBondContact OE2-NH2 3.04Å; L132-R170 VanDerWaalsContact CD2-NH1 3.29Å; S165-R170 WeakPolarHBondContact O-CA 3.43Å; S165-R170 PolarHBondContact O-N 3.11Å; L168-R170 HydrophobicContact CB-CG 4.19Å; L168-R170 PolarHBondContact O-N 3.36Å; L168-R170 VanDerWaalsContact O-N 3.07Å; R170-N172 PolarHBondContact O-N 3.31Å; R170-E173 HydrophobicContact CB-CB 4.18Å; R170-E173 WeakPolarHBondContact CD-OE1 3.29Å; R170-E173 PolarHBondContact O-N 3.25Å; R170-A174 WeakPolarHBondContact O-CB 3.49Å; R170-A174 PolarHBondContact O-N 2.95Å
171I97.1Very high97.6Very high61 Ų6149.7 Ų49.731%0.31325%0.247SC..Hα-helixtrans-57.5-43.2-167.4-54.1-48.9000113.4E169 A174 H175 F208 H212E169-I171 VanDerWaalsContact C-N 3.28Å; E169-I171 PolarHBondContact O-N 3.11Å; I171-A174 PolarHBondContact O-N 2.86Å; I171-H175 PolarHBondContact O-N 3.43Å; I171-F208 HydrophobicContact CG2-CE2 4.27Å; I171-F208 HydrophobicContact CG2-CZ 3.91Å; I171-H212 WeakPolarHBondContact CG2-NE2 3.49Å
172N97.5Very high97.5Very high141 Ų14150.1 Ų50.175%0.75425%0.249SC*.Hα-helixtrans-67.1-41.2-178.5-68.7-30.5000112.2R170 T176R170-N172 PolarHBondContact O-N 3.31Å; N172-T176 WeakPolarHBondContact O-CB 3.48Å; N172-T176 PolarHBondContact O-N 3.01Å; N172-T176 PolarHBondContact O-OG1 2.94Å
173E97.5Very high97.2Very high83 Ų8353.9 Ų53.939%0.38827%0.267SS..Hα-helixtrans-65.6-44.6175.3-69.8174.7-11600110.6R170 H175 T176 Y177R170-E173 HydrophobicContact CB-CB 4.18Å; R170-E173 WeakPolarHBondContact CD-OE1 3.29Å; R170-E173 PolarHBondContact O-N 3.25Å; E173-H175 VanDerWaalsContact C-N 3.35Å; E173-H175 PolarHBondContact O-N 3.27Å; E173-T176 WeakPolarHBondContact O-CB 3.34Å; E173-T176 PolarHBondContact O-N 3.39Å; E173-T176 VanDerWaalsContact O-N 3.12Å; E173-Y177 HydrophobicContact CB-CD2 4.46Å; E173-Y177 HydrophobicContact CB-CE2 4.35Å; E173-Y177 WeakPolarHBondContact O-CD2 3.45Å; E173-Y177 PolarHBondContact O-N 3.23Å
174A98.4Very high96.9Very high0 Ų053.3 Ų53.30%027%0.265CS..Hα-helixtrans-55.7-50.317700000111.5G162 R170 I171 T176 Y177 Y178 F208G162-A174 WeakPolarHBondContact O-CB 3.44Å; R170-A174 WeakPolarHBondContact O-CB 3.49Å; R170-A174 PolarHBondContact O-N 2.95Å; I171-A174 PolarHBondContact O-N 2.86Å; A174-T176 VanDerWaalsContact C-N 3.31Å; A174-T176 PolarHBondContact O-N 3.49Å; A174-Y177 PolarHBondContact O-N 2.82Å; A174-Y178 HydrophobicContact CB-CE2 4.49Å; A174-Y178 WeakPolarHBondContact O-CD2 3.48Å; A174-Y178 PolarHBondContact O-N 3.46Å; A174-F208 HydrophobicContact CB-CD2 4.28Å; A174-F208 HydrophobicContact CB-CE2 3.62Å; A174-F208 HydrophobicContact CB-CZ 4.03Å
175H98Very high96.6Very high57 Ų5754 Ų5426%0.26427%0.268SS..Hα-helixtrans-60.3-41.8177.4-171.763.5000112I171 E173 N179 Y205 F208I171-H175 PolarHBondContact O-N 3.43Å; E173-H175 VanDerWaalsContact C-N 3.35Å; E173-H175 PolarHBondContact O-N 3.27Å; H175-N179 VanDerWaalsContact O-CB 3.23Å; H175-N179 WeakPolarHBondContact O-CB 3.33Å; H175-N179 PolarHBondContact O-N 2.95Å; H175-Y205 PolarHBondContact CE1-OH 3.34Å; H175-Y205 AromaticContact ND1-CE2 3.95Å; H175-F208 HydrophobicContact CB-CE1 3.81Å; H175-F208 HydrophobicContact CB-CZ 3.95Å; H175-F208 AromaticContact ND1-CE1 3.76Å
176T98.1Very high96.2Very high71 Ų7158.5 Ų58.544%0.43629%0.288SS..Hα-helixtrans-61.7-50.2179.1-59.70000111.5N172 E173 A174 N179 Q180N172-T176 WeakPolarHBondContact O-CB 3.48Å; N172-T176 PolarHBondContact O-N 3.01Å; N172-T176 PolarHBondContact O-OG1 2.94Å; E173-T176 WeakPolarHBondContact O-CB 3.34Å; E173-T176 PolarHBondContact O-N 3.39Å; E173-T176 VanDerWaalsContact O-N 3.12Å; A174-T176 VanDerWaalsContact C-N 3.31Å; A174-T176 PolarHBondContact O-N 3.49Å; T176-N179 PolarHBondContact O-N 2.87Å; T176-Q180 WeakPolarHBondContact O-CB 3.29Å; T176-Q180 VanDerWaalsContact O-CG 3.29Å; T176-Q180 WeakPolarHBondContact O-CG 3.46Å; T176-Q180 PolarHBondContact O-N 3.34Å
177Y98.2Very high95.6Very high53 Ų5361.9 Ų61.921%0.20831%0.308CS..Hα-helixtrans-63.4-44.9179.6-77-55.2000112.6L132 L139 L158 A161 E173 A174 Q180 S181L132-Y177 HydrophobicContact CD1-CE2 4.47Å; L139-Y177 HydrophobicContact CD1-CD1 4.45Å; L139-Y177 HydrophobicContact CD1-CE1 4.02Å; L158-Y177 HydrophobicContact CD2-CD1 3.91Å; A161-Y177 HydrophobicContact CB-CD1 3.75Å; A161-Y177 HydrophobicContact CB-CD2 3.71Å; A161-Y177 HydrophobicContact CB-CE1 4.02Å; A161-Y177 HydrophobicContact CB-CE2 3.98Å; A161-Y177 HydrophobicContact CB-CG 3.59Å; E173-Y177 HydrophobicContact CB-CD2 4.46Å; E173-Y177 HydrophobicContact CB-CE2 4.35Å; E173-Y177 WeakPolarHBondContact O-CD2 3.45Å; E173-Y177 PolarHBondContact O-N 3.23Å; A174-Y177 PolarHBondContact O-N 2.82Å; Y177-Q180 PolarHBondContact O-N 3.19Å; Y177-S181 WeakPolarHBondContact O-CB 3.37Å; Y177-S181 PolarHBondContact O-N 2.94Å
178Y98.3Very high94.7Very high5 Ų559.2 Ų59.22%0.0229%0.291CS..Hα-helixtrans-62.4-44.6176.2-76-51.6000112.5S159 G162 K163 A174 Q180 S181 F182 L201 N204 Y205 F208S159-Y178 WeakPolarHBondContact O-CE1 3.21Å; G162-Y178 WeakPolarHBondContact O-CE2 3.5Å; K163-Y178 WeakPolarHBondContact CA-OH 3.45Å; K163-Y178 PolarHBondContact N-OH 2.84Å; K163-Y178 VanDerWaalsContact N-OH 3.15Å; A174-Y178 HydrophobicContact CB-CE2 4.49Å; A174-Y178 WeakPolarHBondContact O-CD2 3.48Å; A174-Y178 PolarHBondContact O-N 3.46Å; Y178-Q180 PolarHBondContact O-N 3Å; Y178-S181 WeakPolarHBondContact O-CB 3.46Å; Y178-S181 PolarHBondContact O-N 2.93Å; Y178-F182 WeakPolarHBondContact O-CB 3.47Å; Y178-F182 PolarHBondContact O-N 3.31Å; Y178-L201 HydrophobicContact CD1-CD1 4.37Å; Y178-N204 HydrophobicContact CE1-CB 3.68Å; Y178-Y205 VanDerWaalsContact CB-CE2 3.44Å; Y178-Y205 HydrophobicContact CD1-CD2 4.29Å; Y178-Y205 HydrophobicContact CD1-CG 4.24Å; Y178-Y205 AromaticContact CD2-CD2 3.79Å; Y178-Y205 HydrophobicContact CD2-CD2 3.79Å; Y178-Y205 HydrophobicContact CD2-CE2 4.38Å; Y178-Y205 AromaticContact CG-CD2 3.55Å; Y178-Y205 HydrophobicContact CG-CD2 3.55Å; Y178-Y205 HydrophobicContact CG-CE2 4.19Å; Y178-Y205 AromaticContact CG-CG 3.91Å; Y178-Y205 HydrophobicContact CG-CG 3.91Å; Y178-F208 HydrophobicContact CD2-CB 4.12Å; Y178-F208 HydrophobicContact CD2-CD1 4.04Å; Y178-F208 HydrophobicContact CD2-CD2 4.34Å; Y178-F208 AromaticContact CD2-CG 3.9Å; Y178-F208 HydrophobicContact CD2-CG 3.9Å; Y178-F208 HydrophobicContact CE2-CB 3.68Å; Y178-F208 HydrophobicContact CE2-CD1 4.32Å; Y178-F208 AromaticContact CE2-CD2 3.91Å; Y178-F208 HydrophobicContact CE2-CD2 3.91Å; Y178-F208 AromaticContact CE2-CG 3.71Å; Y178-F208 HydrophobicContact CE2-CG 3.71Å
179N97.2Very high93Very high61 Ų6163.1 Ų63.133%0.32631%0.309SS..Hα-helixtrans-62.4-44178.7-171.766.7000110.9H175 T176 S181 F182 E183H175-N179 VanDerWaalsContact O-CB 3.23Å; H175-N179 WeakPolarHBondContact O-CB 3.33Å; H175-N179 PolarHBondContact O-N 2.95Å; T176-N179 PolarHBondContact O-N 2.87Å; N179-S181 VanDerWaalsContact C-N 3.35Å; N179-S181 PolarHBondContact O-N 3.42Å; N179-F182 PolarHBondContact O-N 3.45Å; N179-E183 WeakPolarHBondContact O-CB 3.26Å; N179-E183 WeakPolarHBondContact O-CG 3.4Å; N179-E183 PolarHBondContact O-N 3.43Å
180Q95.5Very high91.1Very high89 Ų8957 Ų5742%0.41629%0.286SS..Hα-helixtrans-59.8-43.7174.4-72.9176.92.300112.3L158 T176 Y177 Y178 F182 L184L158-Q180 HydrophobicContact CD1-CB 4.07Å; L158-Q180 HydrophobicContact CD2-CB 4.22Å; T176-Q180 WeakPolarHBondContact O-CB 3.29Å; T176-Q180 VanDerWaalsContact O-CG 3.29Å; T176-Q180 WeakPolarHBondContact O-CG 3.46Å; T176-Q180 PolarHBondContact O-N 3.34Å; Y177-Q180 PolarHBondContact O-N 3.19Å; Y178-Q180 PolarHBondContact O-N 3Å; Q180-F182 VanDerWaalsContact C-N 3.35Å; Q180-L184 VanDerWaalsContact O-CB 3.22Å; Q180-L184 WeakPolarHBondContact O-CB 3.36Å; Q180-L184 PolarHBondContact O-N 3Å
181S95.2Very high89.5Confident0 Ų059.8 Ų59.80%031%0.308CS..Hα-helixtrans-60.8-44.3176.5-169.40000111.5I155 S159 Y177 Y178 N179 L184 F185 L201I155-S181 WeakPolarHBondContact CG2-OG 3.3Å; I155-S181 PolarHBondContact O-OG 3.05Å; S159-S181 PolarHBondContact N-OG 3.43Å; Y177-S181 WeakPolarHBondContact O-CB 3.37Å; Y177-S181 PolarHBondContact O-N 2.94Å; Y178-S181 WeakPolarHBondContact O-CB 3.46Å; Y178-S181 PolarHBondContact O-N 2.93Å; N179-S181 VanDerWaalsContact C-N 3.35Å; N179-S181 PolarHBondContact O-N 3.42Å; S181-L184 PolarHBondContact O-N 3.42Å; S181-F185 WeakPolarHBondContact O-CB 3.44Å; S181-F185 PolarHBondContact O-N 3.01Å; S181-L201 WeakPolarHBondContact OG-CD1 3.23Å
182F95.5Very high88.2Confident9 Ų963 Ų634%0.03932%0.317CS..Hα-helixtrans-69.4-43.9-179.6-174.2-112.9000113.4Y178 N179 Q180 L184 F185 K186 F202 Y205 V221 M224Y178-F182 WeakPolarHBondContact O-CB 3.47Å; Y178-F182 PolarHBondContact O-N 3.31Å; N179-F182 PolarHBondContact O-N 3.45Å; Q180-F182 VanDerWaalsContact C-N 3.35Å; F182-L184 VanDerWaalsContact C-N 3.33Å; F182-L184 PolarHBondContact O-N 3.01Å; F182-F185 PolarHBondContact O-N 3.28Å; F182-K186 HydrophobicContact CD1-CD 4.39Å; F182-K186 HydrophobicContact CE1-CD 3.92Å; F182-K186 HydrophobicContact CZ-CD 4.18Å; F182-K186 WeakPolarHBondContact O-CG 3.27Å; F182-K186 PolarHBondContact O-N 2.58Å; F182-F202 HydrophobicContact CD2-CD1 4.41Å; F182-F202 HydrophobicContact CD2-CE1 4.12Å; F182-F202 HydrophobicContact CE2-CD1 4.25Å; F182-F202 AromaticContact CE2-CE1 3.97Å; F182-F202 HydrophobicContact CE2-CE1 3.97Å; F182-Y205 HydrophobicContact CB-CD1 4.07Å; F182-Y205 HydrophobicContact CB-CE1 3.92Å; F182-Y205 HydrophobicContact CD1-CE1 4.29Å; F182-Y205 HydrophobicContact CG-CD1 4.27Å; F182-Y205 HydrophobicContact CG-CE1 4.11Å; F182-V221 HydrophobicContact CD1-CG2 4.37Å; F182-V221 HydrophobicContact CD2-CG2 4.16Å; F182-V221 HydrophobicContact CE1-CG2 4.09Å; F182-V221 HydrophobicContact CE2-CB 4.32Å; F182-V221 HydrophobicContact CE2-CG1 4.45Å; F182-V221 HydrophobicContact CE2-CG2 3.87Å; F182-V221 HydrophobicContact CG-CG2 4.4Å; F182-V221 HydrophobicContact CZ-CG2 3.83Å; F182-M224 HydrophobicContact CE2-CB 4.33Å; F182-M224 HydrophobicContact CE2-CE 4.46Å; F182-M224 HydrophobicContact CE2-CG 4.42Å; F182-M224 HydrophobicContact CE2-SD 3.58Å; F182-M224 VanDerWaalsContact CE2-SD 3.58Å; F182-M224 HydrophobicContact CZ-CE 4.12Å; F182-M224 HydrophobicContact CZ-SD 3.83Å
183E93.1Very high87.3Confident78 Ų7856.4 Ų56.436%0.36428%0.282SS..Hα-helixtrans-61.6-43.5173.2-68.3-52131.300111.1N179 F185 K186 T187N179-E183 WeakPolarHBondContact O-CB 3.26Å; N179-E183 WeakPolarHBondContact O-CG 3.4Å; N179-E183 PolarHBondContact O-N 3.43Å; E183-F185 PolarHBondContact O-N 2.92Å; E183-K186 PolarHBondContact O-N 3Å; E183-K186 WeakPolarHBondContact OE1-CE 3.26Å; E183-K186 IonicContact OE1-NZ 3.47Å; E183-K186 PolarHBondContact OE1-NZ 3.39Å; E183-K186 WeakPolarHBondContact OE2-CE 3.5Å; E183-K186 IonicContact OE2-NZ 2.9Å; E183-K186 PolarHBondContact OE2-NZ 2.87Å; E183-T187 WeakPolarHBondContact O-CG2 3.3Å; E183-T187 PolarHBondContact O-N 3.28Å; E183-T187 VanDerWaalsContact O-N 3.12Å
184L90.9Very high86.5Confident29 Ų2960.1 Ų60.115%0.15230%0.299CS..Hα-helixtrans-60.7-45.2176.8-168.559.8000111.6F151 R154 I155 L158 Q180 S181 F182 K186 T187 M188F151-L184 HydrophobicContact CB-CD2 4.45Å; F151-L184 HydrophobicContact CB-CG 4.24Å; F151-L184 HydrophobicContact CD1-CD1 3.32Å; F151-L184 HydrophobicContact CD1-CD2 4.01Å; F151-L184 HydrophobicContact CD1-CG 3.79Å; F151-L184 HydrophobicContact CE1-CD1 3.66Å; F151-L184 HydrophobicContact CG-CD1 4.14Å; F151-L184 HydrophobicContact CG-CG 4.29Å; R154-L184 HydrophobicContact CB-CD2 4.06Å; R154-L184 HydrophobicContact CG-CD2 3.83Å; I155-L184 HydrophobicContact CD1-CG 4.4Å; I155-L184 HydrophobicContact CG1-CB 4.13Å; I155-L184 HydrophobicContact CG1-CD2 3.78Å; I155-L184 HydrophobicContact CG1-CG 3.87Å; L158-L184 HydrophobicContact CD1-CD2 3.99Å; Q180-L184 VanDerWaalsContact O-CB 3.22Å; Q180-L184 WeakPolarHBondContact O-CB 3.36Å; Q180-L184 PolarHBondContact O-N 3Å; S181-L184 PolarHBondContact O-N 3.42Å; F182-L184 VanDerWaalsContact C-N 3.33Å; F182-L184 PolarHBondContact O-N 3.01Å; L184-K186 VanDerWaalsContact C-N 3.32Å; L184-K186 PolarHBondContact O-N 2.89Å; L184-T187 PolarHBondContact O-N 3.12Å; L184-T187 VanDerWaalsContact O-N 3.15Å; L184-T187 PolarHBondContact O-OG1 3.41Å; L184-M188 PolarHBondContact O-N 3.35Å
185F92Very high86Confident13 Ų1362.8 Ų62.86%0.05731%0.309CS..Hα-helixtrans-57-43.3174.4-178.4-83.7000112I155 S181 F182 E183 T187 M188 L198 L201 F202 M224 W228I155-F185 HydrophobicContact CD1-CB 4.12Å; I155-F185 HydrophobicContact CD1-CD2 4.26Å; S181-F185 WeakPolarHBondContact O-CB 3.44Å; S181-F185 PolarHBondContact O-N 3.01Å; F182-F185 PolarHBondContact O-N 3.28Å; E183-F185 PolarHBondContact O-N 2.92Å; F185-T187 VanDerWaalsContact C-N 3.28Å; F185-T187 PolarHBondContact O-N 2.88Å; F185-M188 HydrophobicContact CD2-CE 3.91Å; F185-M188 HydrophobicContact CE2-CE 3.65Å; F185-M188 HydrophobicContact CZ-CE 4.3Å; F185-M188 WeakPolarHBondContact O-CB 3.36Å; F185-M188 PolarHBondContact O-N 2.99Å; F185-M188 VanDerWaalsContact O-N 3.09Å; F185-L198 HydrophobicContact CD2-CD1 4.13Å; F185-L198 HydrophobicContact CE2-CB 4.3Å; F185-L198 HydrophobicContact CE2-CD1 3.94Å; F185-L201 HydrophobicContact CB-CD2 3.99Å; F185-L201 HydrophobicContact CG-CD2 4.42Å; F185-F202 HydrophobicContact CD1-CE1 4.11Å; F185-F202 AromaticContact CD1-CZ 3.71Å; F185-F202 HydrophobicContact CD1-CZ 3.71Å; F185-F202 HydrophobicContact CD2-CZ 4.02Å; F185-F202 HydrophobicContact CE1-CE1 4.2Å; F185-F202 AromaticContact CE1-CZ 3.51Å; F185-F202 HydrophobicContact CE1-CZ 3.51Å; F185-F202 HydrophobicContact CE2-CE2 4.23Å; F185-F202 AromaticContact CE2-CZ 3.81Å; F185-F202 HydrophobicContact CE2-CZ 3.81Å; F185-F202 AromaticContact CG-CZ 3.99Å; F185-F202 HydrophobicContact CG-CZ 3.99Å; F185-F202 HydrophobicContact CZ-CE2 4.16Å; F185-F202 AromaticContact CZ-CZ 3.55Å; F185-F202 HydrophobicContact CZ-CZ 3.55Å; F185-M224 HydrophobicContact CD1-SD 4.03Å; F185-M224 HydrophobicContact CE1-CG 4.17Å; F185-M224 HydrophobicContact CE1-SD 4.11Å; F185-W228 HydrophobicContact CE2-CD2 4.02Å; F185-W228 HydrophobicContact CE2-CE3 4.03Å; F185-W228 HydrophobicContact CE2-CH2 4.36Å; F185-W228 HydrophobicContact CE2-CZ2 4.41Å; F185-W228 HydrophobicContact CE2-CZ3 4.18Å; F185-W228 HydrophobicContact CZ-CB 4.45Å; F185-W228 AromaticContact CZ-CD2 3.78Å; F185-W228 HydrophobicContact CZ-CD2 3.78Å; F185-W228 AromaticContact CZ-CE3 3.55Å; F185-W228 HydrophobicContact CZ-CE3 3.55Å; F185-W228 HydrophobicContact CZ-CG 4.2Å; F185-W228 AromaticContact CZ-CZ3 3.99Å; F185-W228 HydrophobicContact CZ-CZ3 3.99Å
186K89.9Confident85.7Confident95 Ų9560.5 Ų60.541%0.41330%0.3SS..Hα-helixtrans-65.2-29.8178.1-71.7-174.9-59.2173.30113.7F182 E183 L184 M188 M224F182-K186 HydrophobicContact CD1-CD 4.39Å; F182-K186 HydrophobicContact CE1-CD 3.92Å; F182-K186 HydrophobicContact CZ-CD 4.18Å; F182-K186 WeakPolarHBondContact O-CG 3.27Å; F182-K186 PolarHBondContact O-N 2.58Å; E183-K186 PolarHBondContact O-N 3Å; E183-K186 WeakPolarHBondContact OE1-CE 3.26Å; E183-K186 IonicContact OE1-NZ 3.47Å; E183-K186 PolarHBondContact OE1-NZ 3.39Å; E183-K186 WeakPolarHBondContact OE2-CE 3.5Å; E183-K186 IonicContact OE2-NZ 2.9Å; E183-K186 PolarHBondContact OE2-NZ 2.87Å; L184-K186 VanDerWaalsContact C-N 3.32Å; L184-K186 PolarHBondContact O-N 2.89Å; K186-M188 VanDerWaalsContact C-N 3.29Å; K186-M224 HydrophobicContact CD-CE 4.17Å; K186-M224 HydrophobicContact CD-SD 4.45Å; K186-M224 HydrophobicContact CG-CE 4.04Å; K186-M224 HydrophobicContact CG-SD 3.81Å
187T85.5Confident85.5Confident96 Ų9657.2 Ų57.259%0.58928%0.279SS*.Hα-helixtrans-76.3-19.4174.864.40000112.8E183 L184 F185 M189E183-T187 WeakPolarHBondContact O-CG2 3.3Å; E183-T187 PolarHBondContact O-N 3.28Å; E183-T187 VanDerWaalsContact O-N 3.12Å; L184-T187 PolarHBondContact O-N 3.12Å; L184-T187 VanDerWaalsContact O-N 3.15Å; L184-T187 PolarHBondContact O-OG1 3.41Å; F185-T187 VanDerWaalsContact C-N 3.28Å; F185-T187 PolarHBondContact O-N 2.88Å; T187-M189 PolarHBondContact O-N 3.27Å
188M78.5Confident85.4Confident14 Ų1454.7 Ų54.77%0.06927%0.269CS..SBendtrans-69.3124.7173.7-167.5177.472.100108.9I155 L184 F185 K186 A190 L198 W228I155-M188 HydrophobicContact CD1-SD 4.08Å; L184-M188 PolarHBondContact O-N 3.35Å; F185-M188 HydrophobicContact CD2-CE 3.91Å; F185-M188 HydrophobicContact CE2-CE 3.65Å; F185-M188 HydrophobicContact CZ-CE 4.3Å; F185-M188 WeakPolarHBondContact O-CB 3.36Å; F185-M188 PolarHBondContact O-N 2.99Å; F185-M188 VanDerWaalsContact O-N 3.09Å; K186-M188 VanDerWaalsContact C-N 3.29Å; M188-A190 PolarHBondContact O-N 3.14Å; M188-A190 VanDerWaalsContact O-N 3.09Å; M188-L198 HydrophobicContact CE-CD1 3.85Å; M188-L198 HydrophobicContact SD-CD1 4.48Å; M188-W228 HydrophobicContact CE-CH2 4.03Å; M188-W228 HydrophobicContact CE-CZ3 4.25Å
189M61.6Low85.3Confident126 Ų12654.5 Ų54.562%0.62127%0.268SS*.  trans-64.3114.7169.3-67.2-169.487.400107.2T187 D191 Y192T187-M189 PolarHBondContact O-N 3.27Å; M189-D191 PolarHBondContact O-N 3.27Å; M189-Y192 HydrophobicContact CB-CD2 3.48Å; M189-Y192 VanDerWaalsContact CB-CD2 3.48Å; M189-Y192 HydrophobicContact CB-CE2 3.61Å; M189-Y192 HydrophobicContact CG-CE2 4.33Å; M189-Y192 PolarHBondContact O-N 3.39Å; M189-Y192 VanDerWaalsContact O-N 3.12Å; M189-Y192 HydrophobicContact SD-CE2 3.94Å
190A58.2Low85.2Confident33 Ų3352.7 Ų52.727%0.27326%0.259SS..THydrogen-bonded Turntrans-55.2-18-168.400000114.4M188M188-A190 PolarHBondContact O-N 3.14Å; M188-A190 VanDerWaalsContact O-N 3.09Å
191D62.6Low85.3Confident142 Ų14248.6 Ų48.676%0.75924%0.24SC*.THydrogen-bonded Turntrans-83.2-7.4-175.9-55.2-35.3000114.2M189M189-D191 PolarHBondContact O-N 3.27Å
192Y69.6Low85.4Confident128 Ų12848.6 Ų48.650%0.50224%0.24SC..SBendtrans-98.9-19.1-173.3-72-89.7000115D148 M189D148-Y192 HydrophobicContact CB-CD1 3.67Å; D148-Y192 HydrophobicContact CB-CE1 3.97Å; D148-Y192 HydrophobicContact CB-CG 4.24Å; M189-Y192 HydrophobicContact CB-CD2 3.48Å; M189-Y192 VanDerWaalsContact CB-CD2 3.48Å; M189-Y192 HydrophobicContact CB-CE2 3.61Å; M189-Y192 HydrophobicContact CG-CE2 4.33Å; M189-Y192 PolarHBondContact O-N 3.39Å; M189-Y192 VanDerWaalsContact O-N 3.12Å; M189-Y192 HydrophobicContact SD-CE2 3.94Å
193S79.4Confident85.6Confident3 Ų348.7 Ų48.72%0.02124%0.241CC..  trans-107.9131.9-179.4179.40000110.5D152 R195 W228 Q232D152-S193 VanDerWaalsContact CG-OG 3.22Å; D152-S193 VanDerWaalsContact OD1-CB 3.23Å; D152-S193 WeakPolarHBondContact OD1-CB 3.43Å; D152-S193 PolarHBondContact OD1-OG 2.75Å; D152-S193 PolarHBondContact OD2-OG 3.1Å; D152-S193 VanDerWaalsContact OD2-OG 3.12Å; S193-R195 PolarHBondContact OG-N 3.15Å; S193-W228 VanDerWaalsContact O-CH2 3.29Å; S193-W228 WeakPolarHBondContact O-CH2 3.42Å; S193-Q232 PolarHBondContact O-NE2 2.75Å
194E80.3Confident85.8Confident160 Ų16046.3 Ų46.375%0.74823%0.231SC*.  trans-104.213.7175.2-62.7179.6167.200111.6S196 Q232E194-S196 PolarHBondContact O-N 3.12Å; E194-S196 VanDerWaalsContact O-N 3.15Å; E194-Q232 PolarHBondContact O-OE1 2.97Å
195R88.4Confident86.2Confident57 Ų5745 Ų4522%0.21522%0.224CC..  trans-84.192-171-64.3-60.2-165.9-1657.6112.1N77 D152 S193 E197 L198 W228N77-R195 PolarHBondContact OD1-NH1 2.68Å; D152-R195 HydrophobicContact CB-CG 4.21Å; D152-R195 WeakPolarHBondContact OD2-CG 3.36Å; D152-R195 IonicContact OD2-NE 3.22Å; S193-R195 PolarHBondContact OG-N 3.15Å; R195-E197 PolarHBondContact O-N 3.49Å; R195-L198 HydrophobicContact CB-CD1 4.25Å; R195-L198 HydrophobicContact CB-CG 3.96Å; R195-L198 WeakPolarHBondContact O-CB 3.45Å; R195-L198 WeakPolarHBondContact O-CG 3.45Å; R195-L198 PolarHBondContact O-N 2.79Å; R195-L198 VanDerWaalsContact O-N 3.09Å; R195-W228 VanDerWaalsContact O-CZ2 3.31Å; R195-W228 WeakPolarHBondContact O-CZ2 3.32Å; R195-W228 PolarHBondContact O-NE1 3.22Å
196S92.4Very high86.5Confident9 Ų944.3 Ų44.36%0.06322%0.221CC..G310 helixtrans-52.5-28.3173.8-47.40000113.1R84 E194 L198 S199 S234 Y236R84-S196 PolarHBondContact NH2-OG 2.89Å; E194-S196 PolarHBondContact O-N 3.12Å; E194-S196 VanDerWaalsContact O-N 3.15Å; S196-L198 PolarHBondContact O-N 3.39Å; S196-S199 WeakPolarHBondContact O-CB 3.45Å; S196-S199 PolarHBondContact O-N 3.05Å; S196-S199 PolarHBondContact O-OG 2.93Å; S196-S234 VanDerWaalsContact CB-OG 3.3Å; S196-S234 WeakPolarHBondContact CB-OG 3.47Å; S196-S234 PolarHBondContact OG-OG 3.19Å; S196-Y236 WeakPolarHBondContact O-CD1 3.36Å
197E93.9Very high86.8Confident2 Ų243 Ų431%0.00922%0.221CC..G310 helixtrans-63.2-20.9-178.8-65.984.8-179.200114.6F80 R84 L156 R195 S199 N200 Y236F80-E197 WeakPolarHBondContact CB-OE1 3.38Å; F80-E197 HydrophobicContact CD1-CB 4.2Å; F80-E197 HydrophobicContact CD1-CG 3.59Å; F80-E197 HydrophobicContact CE1-CB 4.27Å; F80-E197 HydrophobicContact CE1-CG 4.16Å; F80-E197 HydrophobicContact CG-CG 4.32Å; R84-E197 HydrophobicContact CG-CG 4.49Å; R84-E197 IonicContact CZ-OE1 2.77Å; R84-E197 IonicContact CZ-OE2 2.59Å; R84-E197 IonicContact NE-OE1 3.93Å; R84-E197 PolarHBondContact NE-OE1 3.4Å; R84-E197 IonicContact NH2-OE1 2.77Å; R84-E197 PolarHBondContact NH2-OE1 3Å; R84-E197 IonicContact NH2-OE2 3.75Å; R84-E197 PolarHBondContact NH2-OE2 2.68Å; L156-E197 HydrophobicContact CD2-CB 4.23Å; R195-E197 PolarHBondContact O-N 3.49Å; E197-S199 PolarHBondContact O-N 3.35Å; E197-S199 VanDerWaalsContact O-N 3.08Å; E197-N200 WeakPolarHBondContact O-CB 3.48Å; E197-N200 PolarHBondContact O-N 3.19Å; E197-N200 PolarHBondContact O-ND2 2.91Å; E197-N200 VanDerWaalsContact O-ND2 3.08Å; E197-Y236 HydrophobicContact CB-CE1 4.46Å; E197-Y236 HydrophobicContact CG-CE1 4.39Å
198L94.6Very high87.5Confident0 Ų038.9 Ų38.90%020%0.195CC..G310 helixtrans-59.6-17.9170.4-62-177.7000111.9I155 L156 F185 M188 R195 S196 N200 L201 W228I155-L198 HydrophobicContact CB-CD2 4.01Å; I155-L198 HydrophobicContact CG2-CD2 3.71Å; L156-L198 HydrophobicContact CD2-CD2 3.91Å; L156-L198 HydrophobicContact CG-CD2 3.82Å; F185-L198 HydrophobicContact CD2-CD1 4.13Å; F185-L198 HydrophobicContact CE2-CB 4.3Å; F185-L198 HydrophobicContact CE2-CD1 3.94Å; M188-L198 HydrophobicContact CE-CD1 3.85Å; M188-L198 HydrophobicContact SD-CD1 4.48Å; R195-L198 HydrophobicContact CB-CD1 4.25Å; R195-L198 HydrophobicContact CB-CG 3.96Å; R195-L198 WeakPolarHBondContact O-CB 3.45Å; R195-L198 WeakPolarHBondContact O-CG 3.45Å; R195-L198 PolarHBondContact O-N 2.79Å; R195-L198 VanDerWaalsContact O-N 3.09Å; S196-L198 PolarHBondContact O-N 3.39Å; L198-N200 PolarHBondContact O-N 3.48Å; L198-N200 VanDerWaalsContact O-N 3.1Å; L198-L201 VanDerWaalsContact O-CB 3.3Å; L198-L201 WeakPolarHBondContact O-CB 3.2Å; L198-L201 PolarHBondContact O-N 3.15Å; L198-W228 HydrophobicContact CB-CZ2 4.14Å; L198-W228 HydrophobicContact CD1-CH2 4.2Å; L198-W228 HydrophobicContact CD1-CZ2 3.77Å; L198-W228 HydrophobicContact CG-CZ2 4.34Å
199S96Very high88.4Confident0 Ų038.2 Ų38.20%019%0.192CC..Hα-helixtrans-56.6-25.2171.8-54.90000113.7S196 E197 L201 F202 V203 N229S196-S199 WeakPolarHBondContact O-CB 3.45Å; S196-S199 PolarHBondContact O-N 3.05Å; S196-S199 PolarHBondContact O-OG 2.93Å; E197-S199 PolarHBondContact O-N 3.35Å; E197-S199 VanDerWaalsContact O-N 3.08Å; S199-L201 PolarHBondContact O-N 3.18Å; S199-F202 PolarHBondContact O-N 3.2Å; S199-V203 PolarHBondContact O-N 3.24Å; S199-N229 PolarHBondContact OG-ND2 3.43Å
200N96.3Very high90.1Very high24 Ų2433.4 Ų33.413%0.12817%0.169CC..Hα-helixtrans-60.6-33.4174.4-76.4-54.1000112.7E197 L198 F202 N204 Y236 K237E197-N200 WeakPolarHBondContact O-CB 3.48Å; E197-N200 PolarHBondContact O-N 3.19Å; E197-N200 PolarHBondContact O-ND2 2.91Å; E197-N200 VanDerWaalsContact O-ND2 3.08Å; L198-N200 PolarHBondContact O-N 3.48Å; L198-N200 VanDerWaalsContact O-N 3.1Å; N200-F202 PolarHBondContact O-N 3.48Å; N200-N204 WeakPolarHBondContact O-CB 3.42Å; N200-N204 PolarHBondContact O-N 3.29Å; N200-N204 PolarHBondContact O-ND2 3.23Å; N200-Y236 PolarHBondContact ND2-OH 3.08Å; N200-Y236 PolarHBondContact OD1-OH 2.73Å; N200-K237 WeakPolarHBondContact OD1-CE 3.42Å
201L97.4Very high91.9Very high2 Ų238.9 Ų38.91%0.0119%0.187CC..Hα-helixtrans-57.2-51.8176.1168.158.2000110.7I155 S159 Y178 S181 F185 L198 S199 V203 N204 Y205I155-L201 HydrophobicContact CG2-CD2 3.92Å; S159-L201 WeakPolarHBondContact OG-CA 3.41Å; Y178-L201 HydrophobicContact CD1-CD1 4.37Å; S181-L201 WeakPolarHBondContact OG-CD1 3.23Å; F185-L201 HydrophobicContact CB-CD2 3.99Å; F185-L201 HydrophobicContact CG-CD2 4.42Å; L198-L201 VanDerWaalsContact O-CB 3.3Å; L198-L201 WeakPolarHBondContact O-CB 3.2Å; L198-L201 PolarHBondContact O-N 3.15Å; S199-L201 PolarHBondContact O-N 3.18Å; L201-V203 PolarHBondContact O-N 3.33Å; L201-N204 PolarHBondContact O-N 3.42Å; L201-Y205 WeakPolarHBondContact O-CB 3.46Å; L201-Y205 PolarHBondContact O-N 3.05Å
202F98.1Very high93.5Very high0 Ų035 Ų350%016%0.164CC..Hα-helixtrans-68-39.5-174.5-51.6-69.1000112.1F182 F185 S199 N200 G206 V221 M224 W228 L241F182-F202 HydrophobicContact CD2-CD1 4.41Å; F182-F202 HydrophobicContact CD2-CE1 4.12Å; F182-F202 HydrophobicContact CE2-CD1 4.25Å; F182-F202 AromaticContact CE2-CE1 3.97Å; F182-F202 HydrophobicContact CE2-CE1 3.97Å; F185-F202 HydrophobicContact CD1-CE1 4.11Å; F185-F202 AromaticContact CD1-CZ 3.71Å; F185-F202 HydrophobicContact CD1-CZ 3.71Å; F185-F202 HydrophobicContact CD2-CZ 4.02Å; F185-F202 HydrophobicContact CE1-CE1 4.2Å; F185-F202 AromaticContact CE1-CZ 3.51Å; F185-F202 HydrophobicContact CE1-CZ 3.51Å; F185-F202 HydrophobicContact CE2-CE2 4.23Å; F185-F202 AromaticContact CE2-CZ 3.81Å; F185-F202 HydrophobicContact CE2-CZ 3.81Å; F185-F202 AromaticContact CG-CZ 3.99Å; F185-F202 HydrophobicContact CG-CZ 3.99Å; F185-F202 HydrophobicContact CZ-CE2 4.16Å; F185-F202 AromaticContact CZ-CZ 3.55Å; F185-F202 HydrophobicContact CZ-CZ 3.55Å; S199-F202 PolarHBondContact O-N 3.2Å; N200-F202 PolarHBondContact O-N 3.48Å; F202-G206 WeakPolarHBondContact O-CA 3.44Å; F202-G206 PolarHBondContact O-N 2.99Å; F202-V221 HydrophobicContact CB-CG1 4.24Å; F202-V221 HydrophobicContact CD1-CG1 4.07Å; F202-V221 WeakPolarHBondContact CD1-O 3.36Å; F202-M224 HydrophobicContact CD1-CB 4.33Å; F202-M224 HydrophobicContact CE1-CB 4.01Å; F202-M224 HydrophobicContact CE1-CG 3.8Å; F202-M224 HydrophobicContact CE1-SD 4.3Å; F202-M224 HydrophobicContact CZ-CG 4.23Å; F202-W228 HydrophobicContact CE2-CB 3.88Å; F202-W228 AromaticContact CE2-CD1 3.89Å; F202-W228 AromaticContact CE2-CG 3.91Å; F202-W228 HydrophobicContact CE2-CG 3.91Å; F202-W228 HydrophobicContact CZ-CB 4.41Å; F202-L241 HydrophobicContact CB-CD2 3.66Å
203V98.2Very high94.7Very high12 Ų1235.6 Ų35.67%0.07318%0.176CC..Hα-helixtrans-65.2-50.6175.2172.30000111S199 L201 T207 K237 E240 L241S199-V203 PolarHBondContact O-N 3.24Å; L201-V203 PolarHBondContact O-N 3.33Å; V203-T207 VanDerWaalsContact O-CB 3.23Å; V203-T207 WeakPolarHBondContact O-CB 3.45Å; V203-T207 PolarHBondContact O-N 2.92Å; V203-T207 PolarHBondContact O-OG1 3.44Å; V203-K237 HydrophobicContact CG2-CB 3.79Å; V203-K237 HydrophobicContact CG2-CD 4.35Å; V203-K237 HydrophobicContact CG2-CG 4.35Å; V203-E240 HydrophobicContact CG1-CB 3.92Å; V203-E240 HydrophobicContact CG2-CB 3.82Å; V203-L241 HydrophobicContact CG2-CD2 3.7Å; V203-L241 HydrophobicContact CG2-CG 3.66Å
204N97.9Very high95.5Very high28 Ų2841.6 Ų41.615%0.1520%0.198CC..Hα-helixtrans-66.3-46.5-175.5-69.7-29.9000111Y178 N200 L201 F208Y178-N204 HydrophobicContact CE1-CB 3.68Å; N200-N204 WeakPolarHBondContact O-CB 3.42Å; N200-N204 PolarHBondContact O-N 3.29Å; N200-N204 PolarHBondContact O-ND2 3.23Å; L201-N204 PolarHBondContact O-N 3.42Å; N204-F208 WeakPolarHBondContact O-CB 3.45Å; N204-F208 PolarHBondContact O-N 3.25Å
205Y98.5Very high96.2Very high0 Ų036.2 Ų36.20%017%0.174CC..Hα-helixtrans-72-41.3-179.6-172.7-154.9000112H175 Y178 F182 L201 T207 F208 L209 V221H175-Y205 PolarHBondContact CE1-OH 3.34Å; H175-Y205 AromaticContact ND1-CE2 3.95Å; Y178-Y205 VanDerWaalsContact CB-CE2 3.44Å; Y178-Y205 HydrophobicContact CD1-CD2 4.29Å; Y178-Y205 HydrophobicContact CD1-CG 4.24Å; Y178-Y205 AromaticContact CD2-CD2 3.79Å; Y178-Y205 HydrophobicContact CD2-CD2 3.79Å; Y178-Y205 HydrophobicContact CD2-CE2 4.38Å; Y178-Y205 AromaticContact CG-CD2 3.55Å; Y178-Y205 HydrophobicContact CG-CD2 3.55Å; Y178-Y205 HydrophobicContact CG-CE2 4.19Å; Y178-Y205 AromaticContact CG-CG 3.91Å; Y178-Y205 HydrophobicContact CG-CG 3.91Å; F182-Y205 HydrophobicContact CB-CD1 4.07Å; F182-Y205 HydrophobicContact CB-CE1 3.92Å; F182-Y205 HydrophobicContact CD1-CE1 4.29Å; F182-Y205 HydrophobicContact CG-CD1 4.27Å; F182-Y205 HydrophobicContact CG-CE1 4.11Å; L201-Y205 WeakPolarHBondContact O-CB 3.46Å; L201-Y205 PolarHBondContact O-N 3.05Å; Y205-T207 PolarHBondContact O-N 3Å; Y205-F208 HydrophobicContact CD2-CD1 4.16Å; Y205-F208 HydrophobicContact CE2-CD1 4.24Å; Y205-F208 WeakPolarHBondContact O-CB 3.5Å; Y205-F208 PolarHBondContact O-N 3.26Å; Y205-L209 HydrophobicContact CD1-CD1 4.09Å; Y205-L209 HydrophobicContact CD2-CD1 3.74Å; Y205-L209 HydrophobicContact CD2-CD2 4.31Å; Y205-L209 HydrophobicContact CD2-CG 3.7Å; Y205-L209 HydrophobicContact CE1-CD1 3.96Å; Y205-L209 HydrophobicContact CE2-CD1 3.64Å; Y205-L209 HydrophobicContact CE2-CD2 3.68Å; Y205-L209 HydrophobicContact CE2-CG 3.57Å; Y205-L209 HydrophobicContact CG-CD1 4Å; Y205-L209 HydrophobicContact CG-CG 4.41Å; Y205-L209 WeakPolarHBondContact O-CB 3.35Å; Y205-L209 VanDerWaalsContact O-CG 3.25Å; Y205-L209 WeakPolarHBondContact O-CG 3.44Å; Y205-L209 PolarHBondContact O-N 3.22Å; Y205-V221 HydrophobicContact CD1-CB 4.36Å; Y205-V221 HydrophobicContact CD1-CG1 3.87Å; Y205-V221 HydrophobicContact CD1-CG2 3.53Å; Y205-V221 HydrophobicContact CE1-CG2 3.72Å; Y205-V221 HydrophobicContact CG-CG1 4.27Å; Y205-V221 HydrophobicContact CG-CG2 4.43Å
206G98.4Very high96.5Very high0 Ų038.5 Ų38.50%019%0.191CC..Hα-helixtrans-58.1-47.9173.800000111.7F202 F208 L209 V210F202-G206 WeakPolarHBondContact O-CA 3.44Å; F202-G206 PolarHBondContact O-N 2.99Å; G206-F208 PolarHBondContact O-N 3.21Å; G206-L209 PolarHBondContact O-N 2.93Å; G206-V210 WeakPolarHBondContact O-CG2 3.33Å; G206-V210 PolarHBondContact O-N 2.93Å
207T98Very high96.7Very high67 Ų6739.9 Ų39.941%0.41120%0.197SC..Hα-helixtrans-60-45.1174.9-560000111.8V203 Y205 L209 V210 K211V203-T207 VanDerWaalsContact O-CB 3.23Å; V203-T207 WeakPolarHBondContact O-CB 3.45Å; V203-T207 PolarHBondContact O-N 2.92Å; V203-T207 PolarHBondContact O-OG1 3.44Å; Y205-T207 PolarHBondContact O-N 3Å; T207-L209 VanDerWaalsContact C-N 3.34Å; T207-L209 PolarHBondContact O-N 3.42Å; T207-V210 PolarHBondContact O-N 3.02Å; T207-K211 WeakPolarHBondContact O-CB 3.21Å; T207-K211 PolarHBondContact O-N 3.44Å
208F98.3Very high96.9Very high10 Ų1039.8 Ų39.84%0.04420%0.197CC..Hα-helixtrans-58.3-45.5176.4174.5-91.5000111.5I171 A174 H175 Y178 N204 Y205 G206 K211 H212I171-F208 HydrophobicContact CG2-CE2 4.27Å; I171-F208 HydrophobicContact CG2-CZ 3.91Å; A174-F208 HydrophobicContact CB-CD2 4.28Å; A174-F208 HydrophobicContact CB-CE2 3.62Å; A174-F208 HydrophobicContact CB-CZ 4.03Å; H175-F208 HydrophobicContact CB-CE1 3.81Å; H175-F208 HydrophobicContact CB-CZ 3.95Å; H175-F208 AromaticContact ND1-CE1 3.76Å; Y178-F208 HydrophobicContact CD2-CB 4.12Å; Y178-F208 HydrophobicContact CD2-CD1 4.04Å; Y178-F208 HydrophobicContact CD2-CD2 4.34Å; Y178-F208 AromaticContact CD2-CG 3.9Å; Y178-F208 HydrophobicContact CD2-CG 3.9Å; Y178-F208 HydrophobicContact CE2-CB 3.68Å; Y178-F208 HydrophobicContact CE2-CD1 4.32Å; Y178-F208 AromaticContact CE2-CD2 3.91Å; Y178-F208 HydrophobicContact CE2-CD2 3.91Å; Y178-F208 AromaticContact CE2-CG 3.71Å; Y178-F208 HydrophobicContact CE2-CG 3.71Å; N204-F208 WeakPolarHBondContact O-CB 3.45Å; N204-F208 PolarHBondContact O-N 3.25Å; Y205-F208 HydrophobicContact CD2-CD1 4.16Å; Y205-F208 HydrophobicContact CE2-CD1 4.24Å; Y205-F208 WeakPolarHBondContact O-CB 3.5Å; Y205-F208 PolarHBondContact O-N 3.26Å; G206-F208 PolarHBondContact O-N 3.21Å; F208-K211 PolarHBondContact O-N 3.11Å; F208-H212 AromaticContact CD2-CE1 3.69Å; F208-H212 AromaticContact CD2-ND1 3.93Å; F208-H212 AromaticContact CE2-CE1 3.38Å; F208-H212 WeakPolarHBondContact CE2-CE1 3.21Å; F208-H212 AromaticContact CE2-ND1 3.81Å; F208-H212 AromaticContact CZ-CE1 3.82Å; F208-H212 AromaticContact CZ-ND1 3.93Å; F208-H212 PolarHBondContact O-N 3.02Å; F208-H212 PolarHBondContact O-ND1 3.13Å
209L97.9Very high97Very high0 Ų041.2 Ų41.20%020%0.204CC..Hα-helixtrans-68.6-40.5-179.1-70.2167000112.6Y205 G206 T207 K211 H212 D213 R214 L217 A218 V221Y205-L209 HydrophobicContact CD1-CD1 4.09Å; Y205-L209 HydrophobicContact CD2-CD1 3.74Å; Y205-L209 HydrophobicContact CD2-CD2 4.31Å; Y205-L209 HydrophobicContact CD2-CG 3.7Å; Y205-L209 HydrophobicContact CE1-CD1 3.96Å; Y205-L209 HydrophobicContact CE2-CD1 3.64Å; Y205-L209 HydrophobicContact CE2-CD2 3.68Å; Y205-L209 HydrophobicContact CE2-CG 3.57Å; Y205-L209 HydrophobicContact CG-CD1 4Å; Y205-L209 HydrophobicContact CG-CG 4.41Å; Y205-L209 WeakPolarHBondContact O-CB 3.35Å; Y205-L209 VanDerWaalsContact O-CG 3.25Å; Y205-L209 WeakPolarHBondContact O-CG 3.44Å; Y205-L209 PolarHBondContact O-N 3.22Å; G206-L209 PolarHBondContact O-N 2.93Å; T207-L209 VanDerWaalsContact C-N 3.34Å; T207-L209 PolarHBondContact O-N 3.42Å; L209-K211 VanDerWaalsContact C-N 3.35Å; L209-H212 CarbonylContact O-C 3.6Å; L209-H212 PolarHBondContact O-N 3.48Å; L209-D213 PolarHBondContact O-N 3.37Å; L209-R214 HydrophobicContact CB-CB 4.13Å; L209-R214 HydrophobicContact CD2-CB 3.77Å; L209-R214 HydrophobicContact CD2-CG 4.21Å; L209-R214 PolarHBondContact O-N 2.98Å; L209-L217 HydrophobicContact CD1-CB 4.18Å; L209-L217 HydrophobicContact CD1-CD2 4.09Å; L209-L217 HydrophobicContact CD1-CG 3.72Å; L209-L217 HydrophobicContact CD2-CD2 3.85Å; L209-L217 HydrophobicContact CD2-CG 4.28Å; L209-A218 HydrophobicContact CB-CB 3.63Å; L209-A218 HydrophobicContact CD1-CB 4.39Å; L209-V221 HydrophobicContact CD1-CB 4.46Å; L209-V221 HydrophobicContact CD1-CG2 3.87Å
210V97Very high97Very high24 Ų2447.7 Ų47.715%0.14523%0.232CC..Hα-helixtrans-59.9-45173.6169.40000110.8G206 T207 H212 D213 L215 A218 L244 L247 M248G206-V210 WeakPolarHBondContact O-CG2 3.33Å; G206-V210 PolarHBondContact O-N 2.93Å; T207-V210 PolarHBondContact O-N 3.02Å; V210-H212 PolarHBondContact O-N 3.46Å; V210-H212 VanDerWaalsContact O-N 3.13Å; V210-D213 PolarHBondContact O-N 2.98Å; V210-D213 VanDerWaalsContact O-N 3.16Å; V210-L215 HydrophobicContact CG2-CD2 4.35Å; V210-A218 HydrophobicContact CG2-CB 3.81Å; V210-L244 HydrophobicContact CG2-CD2 4.3Å; V210-L247 HydrophobicContact CG1-CD1 4.41Å; V210-L247 HydrophobicContact CG1-CD2 3.54Å; V210-L247 HydrophobicContact CG2-CD2 4.42Å; V210-M248 HydrophobicContact CG2-CG 4.09Å; V210-M248 HydrophobicContact CG2-SD 4.14Å
211K96.2Very high97.1Very high148 Ų14846.5 Ų46.564%0.64323%0.225SC*.Hα-helixtrans-60.6-22.4178.3-176.6177.8175.5-173.50113.5T207 F208 L209T207-K211 WeakPolarHBondContact O-CB 3.21Å; T207-K211 PolarHBondContact O-N 3.44Å; F208-K211 PolarHBondContact O-N 3.11Å; L209-K211 VanDerWaalsContact C-N 3.35Å
212H95.9Very high97.1Very high61 Ų6146.4 Ų46.428%0.28223%0.225SC..THydrogen-bonded Turntrans-113.726.1-179.2-60.287.5000112.3I171 F208 L209 V210 R214I171-H212 WeakPolarHBondContact CG2-NE2 3.49Å; F208-H212 AromaticContact CD2-CE1 3.69Å; F208-H212 AromaticContact CD2-ND1 3.93Å; F208-H212 AromaticContact CE2-CE1 3.38Å; F208-H212 WeakPolarHBondContact CE2-CE1 3.21Å; F208-H212 AromaticContact CE2-ND1 3.81Å; F208-H212 AromaticContact CZ-CE1 3.82Å; F208-H212 AromaticContact CZ-ND1 3.93Å; F208-H212 PolarHBondContact O-N 3.02Å; F208-H212 PolarHBondContact O-ND1 3.13Å; L209-H212 CarbonylContact O-C 3.6Å; L209-H212 PolarHBondContact O-N 3.48Å; V210-H212 PolarHBondContact O-N 3.46Å; V210-H212 VanDerWaalsContact O-N 3.13Å; H212-R214 WeakPolarHBondContact O-CG 3.44Å; H212-R214 PolarHBondContact O-N 3.37Å; H212-R214 VanDerWaalsContact O-N 3.08Å
213D95.2Very high97Very high141 Ų14149.2 Ų49.275%0.75424%0.24SC*.THydrogen-bonded Turntrans57.126.2174.1-57.2-52.1000115.1L209 V210 L215L209-D213 PolarHBondContact O-N 3.37Å; V210-D213 PolarHBondContact O-N 2.98Å; V210-D213 VanDerWaalsContact O-N 3.16Å; D213-L215 VanDerWaalsContact C-N 3.32Å; D213-L215 PolarHBondContact O-N 3.25Å
214R95.8Very high96.9Very high129 Ų12951.5 Ų51.549%0.48725%0.251SS..  trans-95.152.7177.3-58.9-58.6-65.3-76.3-2.8111.5L209 H212 D216 L217 A218L209-R214 HydrophobicContact CB-CB 4.13Å; L209-R214 HydrophobicContact CD2-CB 3.77Å; L209-R214 HydrophobicContact CD2-CG 4.21Å; L209-R214 PolarHBondContact O-N 2.98Å; H212-R214 WeakPolarHBondContact O-CG 3.44Å; H212-R214 PolarHBondContact O-N 3.37Å; H212-R214 VanDerWaalsContact O-N 3.08Å; R214-D216 PolarHBondContact O-N 3.26Å; R214-L217 PolarHBondContact O-N 3.44Å; R214-A218 WeakPolarHBondContact O-CB 3.38Å; R214-A218 PolarHBondContact O-N 3.22Å
215L95.5Very high96.8Very high46 Ų4650.2 Ų50.224%0.24124%0.243CC..Hα-helixtrans-57.7-42.1-169.3-60.4-178.6000113.8V210 D213 L217 A218 E219 M248 A251V210-L215 HydrophobicContact CG2-CD2 4.35Å; D213-L215 VanDerWaalsContact C-N 3.32Å; D213-L215 PolarHBondContact O-N 3.25Å; L215-L217 VanDerWaalsContact C-N 3.31Å; L215-L217 PolarHBondContact O-N 3.39Å; L215-A218 WeakPolarHBondContact O-CB 3.48Å; L215-A218 PolarHBondContact O-N 3Å; L215-E219 WeakPolarHBondContact O-CB 3.19Å; L215-E219 PolarHBondContact O-N 3.35Å; L215-M248 HydrophobicContact CD2-CG 4.39Å; L215-A251 HydrophobicContact CD1-CB 4.06Å
216D95.2Very high96.7Very high106 Ų10651.8 Ų51.857%0.56725%0.252SS*.Hα-helixtrans-63.8-35.5-179.4-63.7-25.6000113.4R214 K220 R252R214-D216 PolarHBondContact O-N 3.26Å; D216-K220 WeakPolarHBondContact O-CG 2.9Å; D216-R252 IonicContact OD1-CZ 3.17Å; D216-R252 IonicContact OD1-NH2 2.89Å; D216-R252 PolarHBondContact OD1-NH2 2.97Å
217L96.4Very high96.5Very high38 Ų3857.1 Ų57.120%0.19928%0.275CS..Hα-helixtrans-79.8-38.8176.2-175.658.3000110.7L209 R214 L215 E219 K220 V221L209-L217 HydrophobicContact CD1-CB 4.18Å; L209-L217 HydrophobicContact CD1-CD2 4.09Å; L209-L217 HydrophobicContact CD1-CG 3.72Å; L209-L217 HydrophobicContact CD2-CD2 3.85Å; L209-L217 HydrophobicContact CD2-CG 4.28Å; R214-L217 PolarHBondContact O-N 3.44Å; L215-L217 VanDerWaalsContact C-N 3.31Å; L215-L217 PolarHBondContact O-N 3.39Å; L217-E219 PolarHBondContact O-N 3.31Å; L217-K220 PolarHBondContact O-N 2.91Å; L217-V221 WeakPolarHBondContact O-CG2 3.22Å; L217-V221 PolarHBondContact O-N 3.05Å
218A97.8Very high96.3Very high0 Ų054 Ų540%026%0.256CS..Hα-helixtrans-55.8-43.9175.800000110.8L209 V210 R214 L215 V221 V222 M248L209-A218 HydrophobicContact CB-CB 3.63Å; L209-A218 HydrophobicContact CD1-CB 4.39Å; V210-A218 HydrophobicContact CG2-CB 3.81Å; R214-A218 WeakPolarHBondContact O-CB 3.38Å; R214-A218 PolarHBondContact O-N 3.22Å; L215-A218 WeakPolarHBondContact O-CB 3.48Å; L215-A218 PolarHBondContact O-N 3Å; A218-V221 PolarHBondContact O-N 2.97Å; A218-V222 WeakPolarHBondContact O-CB 3.4Å; A218-V222 VanDerWaalsContact O-CG2 3.31Å; A218-V222 WeakPolarHBondContact O-CG2 3.41Å; A218-V222 PolarHBondContact O-N 3.13Å; A218-M248 VanDerWaalsContact C-SD 3.59Å; A218-M248 HydrophobicContact CB-SD 3.54Å; A218-M248 VanDerWaalsContact CB-SD 3.54Å
219E96.7Very high96.1Very high30 Ų3053.7 Ų53.714%0.1425%0.254CS..Hα-helixtrans-62.2-46.9178.9-174179.3-150.500112.1L215 L217 V221 V222 D223 K245 M248 R252L215-E219 WeakPolarHBondContact O-CB 3.19Å; L215-E219 PolarHBondContact O-N 3.35Å; L217-E219 PolarHBondContact O-N 3.31Å; E219-V221 VanDerWaalsContact C-N 3.27Å; E219-V221 PolarHBondContact O-N 3.37Å; E219-V222 PolarHBondContact O-N 2.85Å; E219-D223 WeakPolarHBondContact O-CB 3.38Å; E219-D223 PolarHBondContact O-N 3.43Å; E219-K245 HydrophobicContact CG-CD 4.5Å; E219-K245 VanDerWaalsContact CG-NZ 3.31Å; E219-K245 IonicContact OE1-NZ 2.78Å; E219-K245 PolarHBondContact OE1-NZ 3.47Å; E219-M248 VanDerWaalsContact CA-SD 3.55Å; E219-M248 HydrophobicContact CB-CE 4.25Å; E219-M248 HydrophobicContact CB-SD 3.89Å; E219-M248 PolarHBondContact N-SD 2.88Å; E219-R252 VanDerWaalsContact CD-NH1 3.34Å; E219-R252 IonicContact OE1-NH1 2.58Å; E219-R252 PolarHBondContact OE1-NH1 3.48Å; E219-R252 IonicContact OE2-CZ 3.8Å; E219-R252 IonicContact OE2-NH1 2.74Å; E219-R252 PolarHBondContact OE2-NH1 3.46Å; E219-R252 IonicContact OE2-NH2 3.71Å; E219-R252 PolarHBondContact OE2-NH2 3.06Å
220K96.8Very high95.8Very high135 Ų13562.6 Ų62.659%0.58729%0.288SS*.Hα-helixtrans-57.7-41.8176.4-70.6173-175.5176.10112D216 L217 M224D216-K220 WeakPolarHBondContact O-CG 2.9Å; L217-K220 PolarHBondContact O-N 2.91Å; K220-M224 WeakPolarHBondContact O-CB 3.43Å; K220-M224 PolarHBondContact O-N 3.06Å; K220-M224 VanDerWaalsContact O-N 3.16Å
221V97.8Very high95.5Very high0 Ų065.2 Ų65.20%030%0.299CS..Hα-helixtrans-66-47.1178.4170.60000110.6F182 F202 Y205 L209 L217 A218 E219 M224 G225F182-V221 HydrophobicContact CD1-CG2 4.37Å; F182-V221 HydrophobicContact CD2-CG2 4.16Å; F182-V221 HydrophobicContact CE1-CG2 4.09Å; F182-V221 HydrophobicContact CE2-CB 4.32Å; F182-V221 HydrophobicContact CE2-CG1 4.45Å; F182-V221 HydrophobicContact CE2-CG2 3.87Å; F182-V221 HydrophobicContact CG-CG2 4.4Å; F182-V221 HydrophobicContact CZ-CG2 3.83Å; F202-V221 HydrophobicContact CB-CG1 4.24Å; F202-V221 HydrophobicContact CD1-CG1 4.07Å; F202-V221 WeakPolarHBondContact CD1-O 3.36Å; Y205-V221 HydrophobicContact CD1-CB 4.36Å; Y205-V221 HydrophobicContact CD1-CG1 3.87Å; Y205-V221 HydrophobicContact CD1-CG2 3.53Å; Y205-V221 HydrophobicContact CE1-CG2 3.72Å; Y205-V221 HydrophobicContact CG-CG1 4.27Å; Y205-V221 HydrophobicContact CG-CG2 4.43Å; L209-V221 HydrophobicContact CD1-CB 4.46Å; L209-V221 HydrophobicContact CD1-CG2 3.87Å; L217-V221 WeakPolarHBondContact O-CG2 3.22Å; L217-V221 PolarHBondContact O-N 3.05Å; A218-V221 PolarHBondContact O-N 2.97Å; E219-V221 VanDerWaalsContact C-N 3.27Å; E219-V221 PolarHBondContact O-N 3.37Å; V221-M224 PolarHBondContact O-N 3.22Å; V221-G225 PolarHBondContact O-N 3.43Å
222V97.8Very high95.2Very high0 Ų059.9 Ų59.90%028%0.276CS..Hα-helixtrans-66.9-43.1-179.2169.80000111.7A218 E219 M224 G225 I226 L241 L244 K245 M248A218-V222 WeakPolarHBondContact O-CB 3.4Å; A218-V222 VanDerWaalsContact O-CG2 3.31Å; A218-V222 WeakPolarHBondContact O-CG2 3.41Å; A218-V222 PolarHBondContact O-N 3.13Å; E219-V222 PolarHBondContact O-N 2.85Å; V222-M224 VanDerWaalsContact C-N 3.27Å; V222-M224 PolarHBondContact O-N 2.9Å; V222-G225 CarbonylContact O-C 3.51Å; V222-G225 WeakPolarHBondContact O-CA 3.23Å; V222-G225 PolarHBondContact O-N 3.09Å; V222-I226 HydrophobicContact CG1-CD1 3.92Å; V222-I226 HydrophobicContact CG1-CG1 4.45Å; V222-I226 WeakPolarHBondContact O-CG1 3.47Å; V222-I226 PolarHBondContact O-N 3.39Å; V222-L241 HydrophobicContact CG1-CB 4.45Å; V222-L241 HydrophobicContact CG1-CD2 4.3Å; V222-L241 VanDerWaalsContact CG1-O 3.26Å; V222-L241 WeakPolarHBondContact CG1-O 3.28Å; V222-L241 HydrophobicContact CG2-CD2 4.46Å; V222-L244 HydrophobicContact CG1-CB 4.42Å; V222-L244 HydrophobicContact CG2-CB 3.93Å; V222-L244 HydrophobicContact CG2-CD1 4Å; V222-K245 HydrophobicContact CG1-CB 3.99Å; V222-M248 HydrophobicContact CB-CE 3.74Å; V222-M248 HydrophobicContact CG1-CE 3.98Å; V222-M248 HydrophobicContact CG2-CE 3.71Å
223D96.8Very high95Very high58 Ų5862.5 Ų62.531%0.3130%0.3SS..Hα-helixtrans-61.8-38.1177.1-75.7-15.2000111.6E219 G225 I226 K227 K245E219-D223 WeakPolarHBondContact O-CB 3.38Å; E219-D223 PolarHBondContact O-N 3.43Å; D223-G225 VanDerWaalsContact C-N 3.35Å; D223-I226 PolarHBondContact O-N 2.73Å; D223-K227 WeakPolarHBondContact O-CB 3.33Å; D223-K227 PolarHBondContact O-N 2.95Å; D223-K245 WeakPolarHBondContact OD1-CD 3.47Å; D223-K245 WeakPolarHBondContact OD1-CE 3.46Å; D223-K245 IonicContact OD1-NZ 2.64Å; D223-K245 PolarHBondContact OD1-NZ 3Å; D223-K245 IonicContact OD2-NZ 2.72Å; D223-K245 PolarHBondContact OD2-NZ 3.49Å
224M95.4Very high94.8Very high61 Ų6156.4 Ų56.430%0.327%0.268SS..Hα-helixtrans-64.3-40.1172.8-168163.7-65.900111.8F182 F185 K186 F202 K220 V221 V222 K227 W228F182-M224 HydrophobicContact CE2-CB 4.33Å; F182-M224 HydrophobicContact CE2-CE 4.46Å; F182-M224 HydrophobicContact CE2-CG 4.42Å; F182-M224 HydrophobicContact CE2-SD 3.58Å; F182-M224 VanDerWaalsContact CE2-SD 3.58Å; F182-M224 HydrophobicContact CZ-CE 4.12Å; F182-M224 HydrophobicContact CZ-SD 3.83Å; F185-M224 HydrophobicContact CD1-SD 4.03Å; F185-M224 HydrophobicContact CE1-CG 4.17Å; F185-M224 HydrophobicContact CE1-SD 4.11Å; K186-M224 HydrophobicContact CD-CE 4.17Å; K186-M224 HydrophobicContact CD-SD 4.45Å; K186-M224 HydrophobicContact CG-CE 4.04Å; K186-M224 HydrophobicContact CG-SD 3.81Å; F202-M224 HydrophobicContact CD1-CB 4.33Å; F202-M224 HydrophobicContact CE1-CB 4.01Å; F202-M224 HydrophobicContact CE1-CG 3.8Å; F202-M224 HydrophobicContact CE1-SD 4.3Å; F202-M224 HydrophobicContact CZ-CG 4.23Å; K220-M224 WeakPolarHBondContact O-CB 3.43Å; K220-M224 PolarHBondContact O-N 3.06Å; K220-M224 VanDerWaalsContact O-N 3.16Å; V221-M224 PolarHBondContact O-N 3.22Å; V222-M224 VanDerWaalsContact C-N 3.27Å; V222-M224 PolarHBondContact O-N 2.9Å; M224-K227 PolarHBondContact O-N 3.41Å; M224-W228 WeakPolarHBondContact O-CB 3.47Å; M224-W228 PolarHBondContact O-N 2.82Å
225G96.2Very high94.6Very high0 Ų057 Ų570%027%0.271CS..Hα-helixtrans-66.3-35.8175.200000114.5V221 V222 D223 W228 N229V221-G225 PolarHBondContact O-N 3.43Å; V222-G225 CarbonylContact O-C 3.51Å; V222-G225 WeakPolarHBondContact O-CA 3.23Å; V222-G225 PolarHBondContact O-N 3.09Å; D223-G225 VanDerWaalsContact C-N 3.35Å; G225-W228 WeakPolarHBondContact O-CB 3.15Å; G225-W228 PolarHBondContact O-N 2.91Å; G225-N229 PolarHBondContact O-N 3Å; G225-N229 PolarHBondContact O-ND2 3.49Å; G225-N229 VanDerWaalsContact O-ND2 3.1Å
226I95.9Very high94.5Very high34 Ų3456.3 Ų56.317%0.17427%0.266CS..Hα-helixtrans-67.9-44.1174.1-66.6166.2000109.8V222 D223 W228 N229 R230 L241 L242 K245 Y261V222-I226 HydrophobicContact CG1-CD1 3.92Å; V222-I226 HydrophobicContact CG1-CG1 4.45Å; V222-I226 WeakPolarHBondContact O-CG1 3.47Å; V222-I226 PolarHBondContact O-N 3.39Å; D223-I226 PolarHBondContact O-N 2.73Å; I226-W228 VanDerWaalsContact C-N 3.3Å; I226-W228 PolarHBondContact O-N 3.07Å; I226-N229 PolarHBondContact O-N 3.23Å; I226-R230 PolarHBondContact O-N 3.21Å; I226-R230 VanDerWaalsContact O-N 3.08Å; I226-L241 HydrophobicContact CG1-CB 3.96Å; I226-L242 HydrophobicContact CD1-CD2 4.05Å; I226-L242 HydrophobicContact CG1-CD2 4.38Å; I226-K245 HydrophobicContact CD1-CB 4.24Å; I226-K245 HydrophobicContact CD1-CG 4.4Å; I226-Y261 HydrophobicContact CD1-CE1 4.08Å
227K94.3Very high94.5Very high112 Ų11253.9 Ų53.949%0.48725%0.25SS..Hα-helixtrans-59.7-42.4174-176.9-178.3174.5-174.70111.3D223 M224 R230 Q231D223-K227 WeakPolarHBondContact O-CB 3.33Å; D223-K227 PolarHBondContact O-N 2.95Å; M224-K227 PolarHBondContact O-N 3.41Å; K227-R230 PolarHBondContact O-N 3.39Å; K227-Q231 WeakPolarHBondContact O-CG 3.43Å; K227-Q231 PolarHBondContact O-N 3.18Å
228W93.6Very high94.5Very high2 Ų253.4 Ų53.41%0.00825%0.248CC..Hα-helixtrans-59.5-50.7176.1176.1-112000111.8F185 M188 S193 R195 L198 F202 M224 G225 I226 R230 Q231 Q232F185-W228 HydrophobicContact CE2-CD2 4.02Å; F185-W228 HydrophobicContact CE2-CE3 4.03Å; F185-W228 HydrophobicContact CE2-CH2 4.36Å; F185-W228 HydrophobicContact CE2-CZ2 4.41Å; F185-W228 HydrophobicContact CE2-CZ3 4.18Å; F185-W228 HydrophobicContact CZ-CB 4.45Å; F185-W228 AromaticContact CZ-CD2 3.78Å; F185-W228 HydrophobicContact CZ-CD2 3.78Å; F185-W228 AromaticContact CZ-CE3 3.55Å; F185-W228 HydrophobicContact CZ-CE3 3.55Å; F185-W228 HydrophobicContact CZ-CG 4.2Å; F185-W228 AromaticContact CZ-CZ3 3.99Å; F185-W228 HydrophobicContact CZ-CZ3 3.99Å; M188-W228 HydrophobicContact CE-CH2 4.03Å; M188-W228 HydrophobicContact CE-CZ3 4.25Å; S193-W228 VanDerWaalsContact O-CH2 3.29Å; S193-W228 WeakPolarHBondContact O-CH2 3.42Å; R195-W228 VanDerWaalsContact O-CZ2 3.31Å; R195-W228 WeakPolarHBondContact O-CZ2 3.32Å; R195-W228 PolarHBondContact O-NE1 3.22Å; L198-W228 HydrophobicContact CB-CZ2 4.14Å; L198-W228 HydrophobicContact CD1-CH2 4.2Å; L198-W228 HydrophobicContact CD1-CZ2 3.77Å; L198-W228 HydrophobicContact CG-CZ2 4.34Å; F202-W228 HydrophobicContact CE2-CB 3.88Å; F202-W228 AromaticContact CE2-CD1 3.89Å; F202-W228 AromaticContact CE2-CG 3.91Å; F202-W228 HydrophobicContact CE2-CG 3.91Å; F202-W228 HydrophobicContact CZ-CB 4.41Å; M224-W228 WeakPolarHBondContact O-CB 3.47Å; M224-W228 PolarHBondContact O-N 2.82Å; G225-W228 WeakPolarHBondContact O-CB 3.15Å; G225-W228 PolarHBondContact O-N 2.91Å; I226-W228 VanDerWaalsContact C-N 3.3Å; I226-W228 PolarHBondContact O-N 3.07Å; W228-R230 PolarHBondContact O-N 2.93Å; W228-Q231 PolarHBondContact O-N 2.65Å; W228-Q231 VanDerWaalsContact O-N 3.08Å; W228-Q232 HydrophobicContact CD2-CG 3.74Å; W228-Q232 VanDerWaalsContact CE2-CG 3.45Å; W228-Q232 HydrophobicContact CE3-CG 4.09Å; W228-Q232 HydrophobicContact CG-CG 4.31Å; W228-Q232 HydrophobicContact CH2-CG 4.03Å; W228-Q232 HydrophobicContact CZ2-CG 3.61Å; W228-Q232 HydrophobicContact CZ3-CG 4.24Å; W228-Q232 WeakPolarHBondContact O-CB 3.49Å; W228-Q232 VanDerWaalsContact O-CG 3.29Å; W228-Q232 WeakPolarHBondContact O-CG 3.35Å; W228-Q232 PolarHBondContact O-N 3.4Å
229N93.6Very high94.4Very high2 Ų255.6 Ų55.61%0.01126%0.257CS..Hα-helixtrans-56.2-41.1176.7-92.7-89.9000112.3S199 G225 I226 Q232 C233 S234 Y236 L238 L241S199-N229 PolarHBondContact OG-ND2 3.43Å; G225-N229 PolarHBondContact O-N 3Å; G225-N229 PolarHBondContact O-ND2 3.49Å; G225-N229 VanDerWaalsContact O-ND2 3.1Å; I226-N229 PolarHBondContact O-N 3.23Å; N229-Q232 CarbonylContact O-C 3.44Å; N229-Q232 PolarHBondContact O-N 2.93Å; N229-C233 PolarHBondContact O-N 3.36Å; N229-C233 VanDerWaalsContact O-N 3.08Å; N229-S234 PolarHBondContact O-N 2.96Å; N229-S234 PolarHBondContact OD1-O 2.86Å; N229-Y236 PolarHBondContact OD1-O 3.13Å; N229-L238 HydrophobicContact CB-CD1 4.03Å; N229-L241 WeakPolarHBondContact ND2-CD1 3.5Å
230R92Very high94.4Very high188 Ų18856.7 Ų56.771%0.70926%0.262SS*.Hα-helixtrans-63.7-42.4176.5-172.9177.767-176.11.5112.4I226 K227 W228 Q232 C233I226-R230 PolarHBondContact O-N 3.21Å; I226-R230 VanDerWaalsContact O-N 3.08Å; K227-R230 PolarHBondContact O-N 3.39Å; W228-R230 PolarHBondContact O-N 2.93Å; R230-Q232 VanDerWaalsContact C-N 3.32Å; R230-C233 PolarHBondContact O-N 2.98Å
231Q90.3Very high94.5Very high79 Ų7950.2 Ų50.237%0.36923%0.234SC..Hα-helixtrans-64.7-39176.5-73173.6-47.600111.7K227 W228 C233K227-Q231 WeakPolarHBondContact O-CG 3.43Å; K227-Q231 PolarHBondContact O-N 3.18Å; W228-Q231 PolarHBondContact O-N 2.65Å; W228-Q231 VanDerWaalsContact O-N 3.08Å; Q231-C233 VanDerWaalsContact C-N 3.27Å; Q231-C233 PolarHBondContact O-N 3.28Å
232Q89.7Confident94.4Very high35 Ų3550.6 Ų50.616%0.16424%0.236CC..THydrogen-bonded Turntrans-81.70.3-179.3-62.8-56.6-43.400114.2S193 E194 W228 N229 R230 S234S193-Q232 PolarHBondContact O-NE2 2.75Å; E194-Q232 PolarHBondContact O-OE1 2.97Å; W228-Q232 HydrophobicContact CD2-CG 3.74Å; W228-Q232 VanDerWaalsContact CE2-CG 3.45Å; W228-Q232 HydrophobicContact CE3-CG 4.09Å; W228-Q232 HydrophobicContact CG-CG 4.31Å; W228-Q232 HydrophobicContact CH2-CG 4.03Å; W228-Q232 HydrophobicContact CZ2-CG 3.61Å; W228-Q232 HydrophobicContact CZ3-CG 4.24Å; W228-Q232 WeakPolarHBondContact O-CB 3.49Å; W228-Q232 VanDerWaalsContact O-CG 3.29Å; W228-Q232 WeakPolarHBondContact O-CG 3.35Å; W228-Q232 PolarHBondContact O-N 3.4Å; N229-Q232 CarbonylContact O-C 3.44Å; N229-Q232 PolarHBondContact O-N 2.93Å; R230-Q232 VanDerWaalsContact C-N 3.32Å; Q232-S234 PolarHBondContact O-N 3.32Å; Q232-S234 VanDerWaalsContact O-N 3.09Å
233C91Very high94.4Very high117 Ų11754.7 Ų54.779%0.79126%0.255SS*.THydrogen-bonded Turntrans46.439.1-170.5-660000112.6N229 R230 Q231N229-C233 PolarHBondContact O-N 3.36Å; N229-C233 VanDerWaalsContact O-N 3.08Å; R230-C233 PolarHBondContact O-N 2.98Å; Q231-C233 VanDerWaalsContact C-N 3.27Å; Q231-C233 PolarHBondContact O-N 3.28Å
234S91Very high94.4Very high13 Ų1352.8 Ų52.89%0.09125%0.245CC..  trans-112.6143.3-170.8-162.60000111.9S196 N229 Q232 Y236S196-S234 VanDerWaalsContact CB-OG 3.3Å; S196-S234 WeakPolarHBondContact CB-OG 3.47Å; S196-S234 PolarHBondContact OG-OG 3.19Å; N229-S234 PolarHBondContact O-N 2.96Å; N229-S234 PolarHBondContact OD1-O 2.86Å; Q232-S234 PolarHBondContact O-N 3.32Å; Q232-S234 VanDerWaalsContact O-N 3.09Å; S234-Y236 WeakPolarHBondContact OG-CB 3.48Å; S234-Y236 PolarHBondContact OG-N 3.36Å
235Y92.5Very high94.5Very high141 Ų14150.4 Ų50.455%0.55323%0.233SC*.  trans-98.1-3.3168.6-58.9-67.7000112.1K237 L238 L268 I271Y235-K237 PolarHBondContact O-N 3.04Å; Y235-L238 HydrophobicContact CD1-CD2 4.06Å; Y235-L238 WeakPolarHBondContact O-CB 3.31Å; Y235-L238 PolarHBondContact O-N 2.88Å; Y235-L238 VanDerWaalsContact O-N 3.16Å; Y235-L268 HydrophobicContact CD1-CD1 3.42Å; Y235-L268 VanDerWaalsContact CD1-CD1 3.42Å; Y235-L268 HydrophobicContact CE1-CD1 4.14Å; Y235-L268 HydrophobicContact CG-CD1 4.1Å; Y235-I271 HydrophobicContact CE1-CD1 3.93Å; Y235-I271 HydrophobicContact CE2-CG2 4.38Å
236Y93.4Very high94.6Very high32 Ų3250.9 Ų50.913%0.12524%0.236CC..THydrogen-bonded Turntrans-65.1119.8-176.5179.8-108.7000110.7R84 S196 E197 N200 N229 S234 L238R84-Y236 HydrophobicContact CB-CD2 3.94Å; R84-Y236 HydrophobicContact CB-CE2 3.79Å; R84-Y236 HydrophobicContact CG-CD2 3.7Å; R84-Y236 HydrophobicContact CG-CE2 3.64Å; R84-Y236 HydrophobicContact CG-CG 4.23Å; S196-Y236 WeakPolarHBondContact O-CD1 3.36Å; E197-Y236 HydrophobicContact CB-CE1 4.46Å; E197-Y236 HydrophobicContact CG-CE1 4.39Å; N200-Y236 PolarHBondContact ND2-OH 3.08Å; N200-Y236 PolarHBondContact OD1-OH 2.73Å; N229-Y236 PolarHBondContact OD1-O 3.13Å; S234-Y236 WeakPolarHBondContact OG-CB 3.48Å; S234-Y236 PolarHBondContact OG-N 3.36Å; Y236-L238 PolarHBondContact O-N 3.17Å
237K95.4Very high94.6Very high54 Ų5453 Ų5324%0.23525%0.248CC..THydrogen-bonded Turntrans64.65.2-175.4-62.8-59.5-177.9-176.40115.9N200 V203 Y235 K239 E240 L241N200-K237 WeakPolarHBondContact OD1-CE 3.42Å; V203-K237 HydrophobicContact CG2-CB 3.79Å; V203-K237 HydrophobicContact CG2-CD 4.35Å; V203-K237 HydrophobicContact CG2-CG 4.35Å; Y235-K237 PolarHBondContact O-N 3.04Å; K237-K239 VanDerWaalsContact C-N 3.32Å; K237-K239 PolarHBondContact O-N 3.06Å; K237-E240 WeakPolarHBondContact CA-OE2 3.41Å; K237-E240 WeakPolarHBondContact CD-OE1 3.38Å; K237-E240 IonicContact NZ-OE1 3.21Å; K237-E240 PolarHBondContact NZ-OE1 2.77Å; K237-E240 PolarHBondContact O-N 3.28Å; K237-L241 WeakPolarHBondContact O-CG 3.44Å; K237-L241 PolarHBondContact O-N 3.11Å; K237-L241 VanDerWaalsContact O-N 3.12Å
238L96Very high94.6Very high28 Ų2847.8 Ų47.815%0.14723%0.225CC..Hα-helixtrans-64.7-37178.8-176.359.7000112N229 Y235 Y236 L241 L242 L268N229-L238 HydrophobicContact CB-CD1 4.03Å; Y235-L238 HydrophobicContact CD1-CD2 4.06Å; Y235-L238 WeakPolarHBondContact O-CB 3.31Å; Y235-L238 PolarHBondContact O-N 2.88Å; Y235-L238 VanDerWaalsContact O-N 3.16Å; Y236-L238 PolarHBondContact O-N 3.17Å; L238-L241 PolarHBondContact O-N 2.76Å; L238-L242 HydrophobicContact CD1-CD1 4.37Å; L238-L242 HydrophobicContact CD1-CD2 4.41Å; L238-L242 HydrophobicContact CD1-CG 4.13Å; L238-L242 HydrophobicContact CG-CD1 4.1Å; L238-L242 HydrophobicContact CG-CG 4.31Å; L238-L242 VanDerWaalsContact O-CG 3.27Å; L238-L242 WeakPolarHBondContact O-CG 3.3Å; L238-L242 PolarHBondContact O-N 2.66Å; L238-L268 HydrophobicContact CB-CD2 4.21Å; L238-L268 HydrophobicContact CD2-CD1 4.19Å; L238-L268 HydrophobicContact CG-CD2 4.21Å
239K95.7Very high94.7Very high46 Ų4647.7 Ų47.720%0.222%0.224CC..Hα-helixtrans-58.6-53.1178179.4170167.4158.10110.2K237 L241 L242 E243 L265 L268 E269K237-K239 VanDerWaalsContact C-N 3.32Å; K237-K239 PolarHBondContact O-N 3.06Å; K239-L241 VanDerWaalsContact C-N 3.29Å; K239-L241 PolarHBondContact O-N 3.39Å; K239-L242 PolarHBondContact O-N 3.41Å; K239-L242 VanDerWaalsContact O-N 3.15Å; K239-E243 WeakPolarHBondContact CE-OE1 3.42Å; K239-E243 HydrophobicContact CG-CG 4.44Å; K239-E243 IonicContact NZ-OE1 3.21Å; K239-E243 WeakPolarHBondContact O-CG 3.22Å; K239-E243 PolarHBondContact O-N 2.93Å; K239-L265 HydrophobicContact CG-CD2 4.06Å; K239-L268 HydrophobicContact CB-CD2 3.53Å; K239-L268 HydrophobicContact CG-CD2 4.4Å; K239-L268 VanDerWaalsContact N-CD2 3.32Å; K239-E269 IonicContact NZ-OE1 3.88Å; K239-E269 PolarHBondContact NZ-OE1 2.97Å
240E97Very high94.7Very high53 Ų5351.3 Ų51.325%0.24824%0.241CC..Hα-helixtrans-60.9-37.7-179-63.196.4130.400112.1V203 K237 E243 L244V203-E240 HydrophobicContact CG1-CB 3.92Å; V203-E240 HydrophobicContact CG2-CB 3.82Å; K237-E240 WeakPolarHBondContact CA-OE2 3.41Å; K237-E240 WeakPolarHBondContact CD-OE1 3.38Å; K237-E240 IonicContact NZ-OE1 3.21Å; K237-E240 PolarHBondContact NZ-OE1 2.77Å; K237-E240 PolarHBondContact O-N 3.28Å; E240-E243 PolarHBondContact O-N 3.25Å; E240-L244 WeakPolarHBondContact O-CG 3Å; E240-L244 PolarHBondContact O-N 2.76Å
241L97.9Very high94.8Very high0 Ų045.4 Ų45.40%023%0.232CC..Hα-helixtrans-65.5-43.5175-70.7169.1000112.6F202 V203 V222 I226 N229 K237 L238 K239 E243 L244 K245F202-L241 HydrophobicContact CB-CD2 3.66Å; V203-L241 HydrophobicContact CG2-CD2 3.7Å; V203-L241 HydrophobicContact CG2-CG 3.66Å; V222-L241 HydrophobicContact CG1-CB 4.45Å; V222-L241 HydrophobicContact CG1-CD2 4.3Å; V222-L241 VanDerWaalsContact CG1-O 3.26Å; V222-L241 WeakPolarHBondContact CG1-O 3.28Å; V222-L241 HydrophobicContact CG2-CD2 4.46Å; I226-L241 HydrophobicContact CG1-CB 3.96Å; N229-L241 WeakPolarHBondContact ND2-CD1 3.5Å; K237-L241 WeakPolarHBondContact O-CG 3.44Å; K237-L241 PolarHBondContact O-N 3.11Å; K237-L241 VanDerWaalsContact O-N 3.12Å; L238-L241 PolarHBondContact O-N 2.76Å; K239-L241 VanDerWaalsContact C-N 3.29Å; K239-L241 PolarHBondContact O-N 3.39Å; L241-E243 VanDerWaalsContact C-N 3.35Å; L241-L244 PolarHBondContact O-N 3.33Å; L241-K245 PolarHBondContact O-N 3.49Å
242L97.3Very high94.9Very high8 Ų845.5 Ų45.54%0.04223%0.23CC..Hα-helixtrans-67.8-36.1177.8-64.6175.9000111.4I226 L238 K239 K245 V246 Y261 M264 L265 L268I226-L242 HydrophobicContact CD1-CD2 4.05Å; I226-L242 HydrophobicContact CG1-CD2 4.38Å; L238-L242 HydrophobicContact CD1-CD1 4.37Å; L238-L242 HydrophobicContact CD1-CD2 4.41Å; L238-L242 HydrophobicContact CD1-CG 4.13Å; L238-L242 HydrophobicContact CG-CD1 4.1Å; L238-L242 HydrophobicContact CG-CG 4.31Å; L238-L242 VanDerWaalsContact O-CG 3.27Å; L238-L242 WeakPolarHBondContact O-CG 3.3Å; L238-L242 PolarHBondContact O-N 2.66Å; K239-L242 PolarHBondContact O-N 3.41Å; K239-L242 VanDerWaalsContact O-N 3.15Å; L242-K245 PolarHBondContact O-N 3.34Å; L242-V246 WeakPolarHBondContact O-CG2 3.49Å; L242-V246 PolarHBondContact O-N 3.45Å; L242-Y261 HydrophobicContact CD2-CD1 3.61Å; L242-Y261 HydrophobicContact CD2-CE1 3.79Å; L242-M264 HydrophobicContact CD1-CB 4.12Å; L242-L265 HydrophobicContact CB-CD1 4.41Å; L242-L265 HydrophobicContact CB-CD2 3.5Å; L242-L265 VanDerWaalsContact CB-CD2 3.5Å; L242-L265 HydrophobicContact CB-CG 3.77Å; L242-L265 HydrophobicContact CD1-CD2 4.2Å; L242-L265 HydrophobicContact CD1-CG 4.4Å; L242-L268 HydrophobicContact CD1-CD2 4.4Å
243E97.1Very high95Very high86 Ų8650.3 Ų50.340%0.40226%0.256SS..Hα-helixtrans-61.2-47.1173-74.4170.916300111.6K239 E240 L241 K245 V246 L247 L265K239-E243 WeakPolarHBondContact CE-OE1 3.42Å; K239-E243 HydrophobicContact CG-CG 4.44Å; K239-E243 IonicContact NZ-OE1 3.21Å; K239-E243 WeakPolarHBondContact O-CG 3.22Å; K239-E243 PolarHBondContact O-N 2.93Å; E240-E243 PolarHBondContact O-N 3.25Å; L241-E243 VanDerWaalsContact C-N 3.35Å; E243-K245 VanDerWaalsContact C-N 3.32Å; E243-K245 PolarHBondContact O-N 3.04Å; E243-V246 PolarHBondContact O-N 3.45Å; E243-L247 PolarHBondContact O-N 3.45Å; E243-L265 HydrophobicContact CG-CD1 4.19Å; E243-L265 HydrophobicContact CG-CD2 3.94Å
244L97.7Very high95.2Very high18 Ų1847.9 Ų47.99%0.09423%0.233CC..Hα-helixtrans-60-42.6174.3-72.7169.8000111.6V210 V222 E240 L241 L247 M248V210-L244 HydrophobicContact CG2-CD2 4.3Å; V222-L244 HydrophobicContact CG1-CB 4.42Å; V222-L244 HydrophobicContact CG2-CB 3.93Å; V222-L244 HydrophobicContact CG2-CD1 4Å; E240-L244 WeakPolarHBondContact O-CG 3Å; E240-L244 PolarHBondContact O-N 2.76Å; L241-L244 PolarHBondContact O-N 3.33Å; L244-L247 PolarHBondContact O-N 2.99Å; L244-M248 HydrophobicContact CB-CE 4.46Å; L244-M248 WeakPolarHBondContact O-CE 3.14Å; L244-M248 WeakPolarHBondContact O-CG 3.34Å; L244-M248 PolarHBondContact O-N 3Å
245K97.7Very high95.2Very high10 Ų1052.7 Ų52.74%0.04326%0.257CS..Hα-helixtrans-62.8-42.7178.3-172.362.2173.8-170.10111.8E219 V222 D223 I226 L241 L242 E243 M248 L249 Y261E219-K245 HydrophobicContact CG-CD 4.5Å; E219-K245 VanDerWaalsContact CG-NZ 3.31Å; E219-K245 IonicContact OE1-NZ 2.78Å; E219-K245 PolarHBondContact OE1-NZ 3.47Å; V222-K245 HydrophobicContact CG1-CB 3.99Å; D223-K245 WeakPolarHBondContact OD1-CD 3.47Å; D223-K245 WeakPolarHBondContact OD1-CE 3.46Å; D223-K245 IonicContact OD1-NZ 2.64Å; D223-K245 PolarHBondContact OD1-NZ 3Å; D223-K245 IonicContact OD2-NZ 2.72Å; D223-K245 PolarHBondContact OD2-NZ 3.49Å; I226-K245 HydrophobicContact CD1-CB 4.24Å; I226-K245 HydrophobicContact CD1-CG 4.4Å; L241-K245 PolarHBondContact O-N 3.49Å; L242-K245 PolarHBondContact O-N 3.34Å; E243-K245 VanDerWaalsContact C-N 3.32Å; E243-K245 PolarHBondContact O-N 3.04Å; K245-M248 HydrophobicContact CD-CE 4.31Å; K245-M248 PolarHBondContact O-N 2.87Å; K245-L249 HydrophobicContact CD-CD1 4.4Å; K245-L249 HydrophobicContact CD-CG 4.41Å; K245-L249 HydrophobicContact CG-CD1 4Å; K245-L249 HydrophobicContact CG-CG 4.45Å; K245-L249 WeakPolarHBondContact O-CB 3.5Å; K245-L249 VanDerWaalsContact O-CG 3.23Å; K245-L249 WeakPolarHBondContact O-CG 3.42Å; K245-L249 PolarHBondContact O-N 3.31Å; K245-Y261 HydrophobicContact CB-CD1 4.17Å; K245-Y261 HydrophobicContact CB-CE1 4.16Å; K245-Y261 HydrophobicContact CG-CD1 3.81Å; K245-Y261 HydrophobicContact CG-CD2 4.23Å; K245-Y261 HydrophobicContact CG-CE1 3.51Å; K245-Y261 HydrophobicContact CG-CE2 3.95Å; K245-Y261 HydrophobicContact CG-CG 4.17Å
246V96.8Very high95.3Very high11 Ų1153.3 Ų53.37%0.06727%0.265CS..Hα-helixtrans-58.9-48.1174.6167.70000110.9L242 E243 M248 L249 E250 V258 R262 L265L242-V246 WeakPolarHBondContact O-CG2 3.49Å; L242-V246 PolarHBondContact O-N 3.45Å; E243-V246 PolarHBondContact O-N 3.45Å; V246-M248 VanDerWaalsContact C-N 3.32Å; V246-M248 PolarHBondContact O-N 3.42Å; V246-L249 PolarHBondContact O-N 3.39Å; V246-E250 HydrophobicContact CG1-CG 4.29Å; V246-E250 WeakPolarHBondContact CG1-OE1 3.31Å; V246-E250 WeakPolarHBondContact O-CB 3.47Å; V246-E250 VanDerWaalsContact O-CG 3.31Å; V246-E250 WeakPolarHBondContact O-CG 3.45Å; V246-E250 PolarHBondContact O-N 2.64Å; V246-V258 HydrophobicContact CG1-CG1 4.3Å; V246-R262 HydrophobicContact CG1-CG 4.15Å; V246-R262 HydrophobicContact CG2-CG 4.09Å; V246-L265 HydrophobicContact CG2-CD1 3.88Å
247L95.6Very high95.4Very high79 Ų7955.4 Ų55.441%0.41428%0.277SS..Hα-helixtrans-57.1-44.4178.9-178.6155.1000112V210 E243 L244 E250 A251V210-L247 HydrophobicContact CG1-CD1 4.41Å; V210-L247 HydrophobicContact CG1-CD2 3.54Å; V210-L247 HydrophobicContact CG2-CD2 4.42Å; E243-L247 PolarHBondContact O-N 3.45Å; L244-L247 PolarHBondContact O-N 2.99Å; L247-E250 PolarHBondContact O-N 2.87Å; L247-A251 PolarHBondContact O-N 3.16Å; L247-A251 VanDerWaalsContact O-N 3.08Å
248M95.3Very high95.4Very high1 Ų153.4 Ų53.41%0.00527%0.27CS..Hα-helixtrans-68.7-38.4179.5-67.9-178.9-68.400112.9V210 L215 A218 E219 V222 L244 K245 V246 A251 R252V210-M248 HydrophobicContact CG2-CG 4.09Å; V210-M248 HydrophobicContact CG2-SD 4.14Å; L215-M248 HydrophobicContact CD2-CG 4.39Å; A218-M248 VanDerWaalsContact C-SD 3.59Å; A218-M248 HydrophobicContact CB-SD 3.54Å; A218-M248 VanDerWaalsContact CB-SD 3.54Å; E219-M248 VanDerWaalsContact CA-SD 3.55Å; E219-M248 HydrophobicContact CB-CE 4.25Å; E219-M248 HydrophobicContact CB-SD 3.89Å; E219-M248 PolarHBondContact N-SD 2.88Å; V222-M248 HydrophobicContact CB-CE 3.74Å; V222-M248 HydrophobicContact CG1-CE 3.98Å; V222-M248 HydrophobicContact CG2-CE 3.71Å; L244-M248 HydrophobicContact CB-CE 4.46Å; L244-M248 WeakPolarHBondContact O-CE 3.14Å; L244-M248 WeakPolarHBondContact O-CG 3.34Å; L244-M248 PolarHBondContact O-N 3Å; K245-M248 HydrophobicContact CD-CE 4.31Å; K245-M248 PolarHBondContact O-N 2.87Å; V246-M248 VanDerWaalsContact C-N 3.32Å; V246-M248 PolarHBondContact O-N 3.42Å; M248-A251 PolarHBondContact O-N 3.38Å; M248-R252 PolarHBondContact O-N 2.66Å
249L95.2Very high95.3Very high0 Ų055.9 Ų55.90%028%0.282CS..Hα-helixtrans-69-35.2176.8-69.2170.1000111.9K245 V246 R252 D253 E254 L257 V258 Y261K245-L249 HydrophobicContact CD-CD1 4.4Å; K245-L249 HydrophobicContact CD-CG 4.41Å; K245-L249 HydrophobicContact CG-CD1 4Å; K245-L249 HydrophobicContact CG-CG 4.45Å; K245-L249 WeakPolarHBondContact O-CB 3.5Å; K245-L249 VanDerWaalsContact O-CG 3.23Å; K245-L249 WeakPolarHBondContact O-CG 3.42Å; K245-L249 PolarHBondContact O-N 3.31Å; V246-L249 PolarHBondContact O-N 3.39Å; L249-R252 PolarHBondContact O-N 3.4Å; L249-D253 PolarHBondContact O-N 3.12Å; L249-E254 HydrophobicContact CB-CB 4.33Å; L249-E254 HydrophobicContact CD2-CB 3.94Å; L249-E254 HydrophobicContact CD2-CG 4.4Å; L249-E254 WeakPolarHBondContact CD2-OE2 3.5Å; L249-E254 PolarHBondContact O-N 3.28Å; L249-L257 HydrophobicContact CD1-CB 3.79Å; L249-L257 HydrophobicContact CD2-CB 4.05Å; L249-L257 HydrophobicContact CD2-CD1 4.07Å; L249-L257 HydrophobicContact CG-CB 4.49Å; L249-V258 HydrophobicContact CB-CG2 3.52Å; L249-Y261 HydrophobicContact CD1-CD2 3.45Å; L249-Y261 VanDerWaalsContact CD1-CD2 3.45Å; L249-Y261 HydrophobicContact CD1-CE2 3.81Å; L249-Y261 HydrophobicContact CD1-CG 4.2Å
250E94.8Very high95.3Very high78 Ų7857.3 Ų57.336%0.36429%0.292SS..Hα-helixtrans-64.8-41.7173.1-74.7171.8-178.300111.4V246 L247 R252 D253 V258 R262V246-E250 HydrophobicContact CG1-CG 4.29Å; V246-E250 WeakPolarHBondContact CG1-OE1 3.31Å; V246-E250 WeakPolarHBondContact O-CB 3.47Å; V246-E250 VanDerWaalsContact O-CG 3.31Å; V246-E250 WeakPolarHBondContact O-CG 3.45Å; V246-E250 PolarHBondContact O-N 2.64Å; L247-E250 PolarHBondContact O-N 2.87Å; E250-R252 PolarHBondContact O-N 3.2Å; E250-R252 VanDerWaalsContact O-N 3.11Å; E250-D253 PolarHBondContact O-N 3.18Å; E250-D253 VanDerWaalsContact O-N 3.15Å; E250-V258 HydrophobicContact CG-CG1 3.91Å; E250-V258 HydrophobicContact CG-CG2 3.75Å; E250-R262 IonicContact OE1-CZ 2.76Å; E250-R262 IonicContact OE1-NE 2.64Å; E250-R262 PolarHBondContact OE1-NE 2.89Å; E250-R262 IonicContact OE1-NH2 3.21Å; E250-R262 PolarHBondContact OE1-NH2 3.45Å
251A93.2Very high95.2Very high64 Ų6456.9 Ų56.953%0.52929%0.289SS..THydrogen-bonded Turntrans-63.5-15.2176.200000114.1L215 L247 M248L215-A251 HydrophobicContact CD1-CB 4.06Å; L247-A251 PolarHBondContact O-N 3.16Å; L247-A251 VanDerWaalsContact O-N 3.08Å; M248-A251 PolarHBondContact O-N 3.38Å
252R91.9Very high95.1Very high82 Ų8262.7 Ų62.731%0.30931%0.311SS..THydrogen-bonded Turntrans-111.68.1178-67.2-173.5-178.9158.65.8114D216 E219 M248 L249 E250 E254D216-R252 IonicContact OD1-CZ 3.17Å; D216-R252 IonicContact OD1-NH2 2.89Å; D216-R252 PolarHBondContact OD1-NH2 2.97Å; E219-R252 VanDerWaalsContact CD-NH1 3.34Å; E219-R252 IonicContact OE1-NH1 2.58Å; E219-R252 PolarHBondContact OE1-NH1 3.48Å; E219-R252 IonicContact OE2-CZ 3.8Å; E219-R252 IonicContact OE2-NH1 2.74Å; E219-R252 PolarHBondContact OE2-NH1 3.46Å; E219-R252 IonicContact OE2-NH2 3.71Å; E219-R252 PolarHBondContact OE2-NH2 3.06Å; M248-R252 PolarHBondContact O-N 2.66Å; L249-R252 PolarHBondContact O-N 3.4Å; E250-R252 PolarHBondContact O-N 3.2Å; E250-R252 VanDerWaalsContact O-N 3.11Å; R252-E254 HydrophobicContact CB-CG 4.05Å; R252-E254 WeakPolarHBondContact CD-OE1 3.34Å; R252-E254 IonicContact NH1-OE1 3.51Å; R252-E254 PolarHBondContact O-N 2.88Å
253D93.1Very high95Very high135 Ų13568.5 Ų68.572%0.72234%0.336SS*.THydrogen-bonded Turntrans56.330.6-177-64.7-50.4000114.3L249 E250 I255L249-D253 PolarHBondContact O-N 3.12Å; E250-D253 PolarHBondContact O-N 3.18Å; E250-D253 VanDerWaalsContact O-N 3.15Å; D253-I255 PolarHBondContact O-N 3.34Å
254E93.8Very high94.9Very high66 Ų6669.4 Ų69.431%0.30834%0.341SS..  trans-82.857.9179.1-66.9-174.3-149.200112L249 R252 H256 L257 V258L249-E254 HydrophobicContact CB-CB 4.33Å; L249-E254 HydrophobicContact CD2-CB 3.94Å; L249-E254 HydrophobicContact CD2-CG 4.4Å; L249-E254 WeakPolarHBondContact CD2-OE2 3.5Å; L249-E254 PolarHBondContact O-N 3.28Å; R252-E254 HydrophobicContact CB-CG 4.05Å; R252-E254 WeakPolarHBondContact CD-OE1 3.34Å; R252-E254 IonicContact NH1-OE1 3.51Å; R252-E254 PolarHBondContact O-N 2.88Å; E254-H256 VanDerWaalsContact C-N 3.3Å; E254-H256 PolarHBondContact O-N 2.89Å; E254-H256 VanDerWaalsContact O-N 3.1Å; E254-L257 PolarHBondContact O-N 3.16Å; E254-L257 VanDerWaalsContact OE2-CD1 3.22Å; E254-L257 WeakPolarHBondContact OE2-CD1 3.49Å; E254-V258 PolarHBondContact O-N 3.1Å
255I92.3Very high94.7Very high114 Ų11469.5 Ų69.559%0.58534%0.341SS*.Hα-helixtrans-50.3-43.6-167.4-61172.3000113.4D253 L257 V258 I259D253-I255 PolarHBondContact O-N 3.34Å; I255-L257 VanDerWaalsContact C-N 3.34Å; I255-L257 PolarHBondContact O-N 3.07Å; I255-V258 PolarHBondContact O-N 2.99Å; I255-I259 HydrophobicContact CG2-CD1 4.1Å; I255-I259 WeakPolarHBondContact O-CG1 3.5Å; I255-I259 PolarHBondContact O-N 3.19Å
256H93.8Very high94.5Very high155 Ų15576.8 Ų76.872%0.71837%0.368SS*.Hα-helixtrans-63.1-39.3-178.8-72.4-59.9000112.8E254 N260E254-H256 VanDerWaalsContact C-N 3.3Å; E254-H256 PolarHBondContact O-N 2.89Å; E254-H256 VanDerWaalsContact O-N 3.1Å; H256-N260 PolarHBondContact O-N 3Å; H256-N260 PolarHBondContact O-ND2 3.49Å
257L94.9Very high94.3Very high75 Ų7578.7 Ų78.739%0.39339%0.386SS..Hα-helixtrans-74.1-39.4177.7-68.9176.6000110.9L249 E254 I255 I259 N260 Y261L249-L257 HydrophobicContact CD1-CB 3.79Å; L249-L257 HydrophobicContact CD2-CB 4.05Å; L249-L257 HydrophobicContact CD2-CD1 4.07Å; L249-L257 HydrophobicContact CG-CB 4.49Å; E254-L257 PolarHBondContact O-N 3.16Å; E254-L257 VanDerWaalsContact OE2-CD1 3.22Å; E254-L257 WeakPolarHBondContact OE2-CD1 3.49Å; I255-L257 VanDerWaalsContact C-N 3.34Å; I255-L257 PolarHBondContact O-N 3.07Å; L257-I259 VanDerWaalsContact C-N 3.27Å; L257-I259 PolarHBondContact O-N 3.09Å; L257-N260 WeakPolarHBondContact O-CB 3.39Å; L257-N260 PolarHBondContact O-N 2.65Å; L257-Y261 WeakPolarHBondContact O-CD2 3.38Å; L257-Y261 PolarHBondContact O-N 3.04Å
258V95.5Very high94.1Very high12 Ų1275.4 Ų75.47%0.07337%0.369CS..Hα-helixtrans-52.5-46.9173.2173.50000111.2V246 L249 E250 E254 I255 N260 Y261 R262V246-V258 HydrophobicContact CG1-CG1 4.3Å; L249-V258 HydrophobicContact CB-CG2 3.52Å; E250-V258 HydrophobicContact CG-CG1 3.91Å; E250-V258 HydrophobicContact CG-CG2 3.75Å; E254-V258 PolarHBondContact O-N 3.1Å; I255-V258 PolarHBondContact O-N 2.99Å; V258-N260 VanDerWaalsContact C-N 3.31Å; V258-N260 PolarHBondContact O-N 3.42Å; V258-Y261 PolarHBondContact O-N 3.03Å; V258-R262 HydrophobicContact CG1-CG 4.29Å; V258-R262 WeakPolarHBondContact O-CB 3.32Å; V258-R262 WeakPolarHBondContact O-CG 3.38Å; V258-R262 PolarHBondContact O-N 3.21Å
259I95.4Very high93.8Very high80 Ų8079.3 Ų79.341%0.4139%0.387SS..Hα-helixtrans-59.1-42.8177.7-68.7166.7000111.3I255 L257 K263I255-I259 HydrophobicContact CG2-CD1 4.1Å; I255-I259 WeakPolarHBondContact O-CG1 3.5Å; I255-I259 PolarHBondContact O-N 3.19Å; L257-I259 VanDerWaalsContact C-N 3.27Å; L257-I259 PolarHBondContact O-N 3.09Å; I259-K263 HydrophobicContact CG2-CD 4.49Å; I259-K263 WeakPolarHBondContact O-CG 3.29Å; I259-K263 PolarHBondContact O-N 2.88Å; I259-K263 VanDerWaalsContact O-N 3.08Å
260N95.3Very high93.5Very high77 Ų7786.6 Ų86.641%0.41242%0.418SS..Hα-helixtrans-66-47.4-179.7-70.1-22.5000111.9H256 L257 V258 R262 K263 M264H256-N260 PolarHBondContact O-N 3Å; H256-N260 PolarHBondContact O-ND2 3.49Å; L257-N260 WeakPolarHBondContact O-CB 3.39Å; L257-N260 PolarHBondContact O-N 2.65Å; V258-N260 VanDerWaalsContact C-N 3.31Å; V258-N260 PolarHBondContact O-N 3.42Å; N260-R262 PolarHBondContact O-N 3.28Å; N260-K263 WeakPolarHBondContact O-CB 3.47Å; N260-K263 PolarHBondContact O-N 3.12Å; N260-M264 PolarHBondContact O-N 2.97Å; N260-M264 VanDerWaalsContact O-N 3.15Å
261Y95.7Very high93Very high44 Ų4485.9 Ų85.917%0.17342%0.417CS..Hα-helixtrans-66.2-37.9178.6-82.6-86.2000112.5I226 L242 K245 L249 L257 V258 K263 M264 L265I226-Y261 HydrophobicContact CD1-CE1 4.08Å; L242-Y261 HydrophobicContact CD2-CD1 3.61Å; L242-Y261 HydrophobicContact CD2-CE1 3.79Å; K245-Y261 HydrophobicContact CB-CD1 4.17Å; K245-Y261 HydrophobicContact CB-CE1 4.16Å; K245-Y261 HydrophobicContact CG-CD1 3.81Å; K245-Y261 HydrophobicContact CG-CD2 4.23Å; K245-Y261 HydrophobicContact CG-CE1 3.51Å; K245-Y261 HydrophobicContact CG-CE2 3.95Å; K245-Y261 HydrophobicContact CG-CG 4.17Å; L249-Y261 HydrophobicContact CD1-CD2 3.45Å; L249-Y261 VanDerWaalsContact CD1-CD2 3.45Å; L249-Y261 HydrophobicContact CD1-CE2 3.81Å; L249-Y261 HydrophobicContact CD1-CG 4.2Å; L257-Y261 WeakPolarHBondContact O-CD2 3.38Å; L257-Y261 PolarHBondContact O-N 3.04Å; V258-Y261 PolarHBondContact O-N 3.03Å; Y261-K263 VanDerWaalsContact C-N 3.31Å; Y261-K263 PolarHBondContact O-N 3.34Å; Y261-M264 HydrophobicContact CD1-SD 4.47Å; Y261-M264 WeakPolarHBondContact O-CB 3.03Å; Y261-M264 PolarHBondContact O-N 3.18Å; Y261-M264 VanDerWaalsContact O-N 3.14Å; Y261-L265 PolarHBondContact O-N 3Å
262R95.6Very high92.1Very high122 Ų12289.1 Ų89.146%0.4642%0.419SS..Hα-helixtrans-63.3-34.6173.1-74.3178.2173.9-164.2-6.6112.6V246 E250 V258 N260 L265 R266V246-R262 HydrophobicContact CG1-CG 4.15Å; V246-R262 HydrophobicContact CG2-CG 4.09Å; E250-R262 IonicContact OE1-CZ 2.76Å; E250-R262 IonicContact OE1-NE 2.64Å; E250-R262 PolarHBondContact OE1-NE 2.89Å; E250-R262 IonicContact OE1-NH2 3.21Å; E250-R262 PolarHBondContact OE1-NH2 3.45Å; V258-R262 HydrophobicContact CG1-CG 4.29Å; V258-R262 WeakPolarHBondContact O-CB 3.32Å; V258-R262 WeakPolarHBondContact O-CG 3.38Å; V258-R262 PolarHBondContact O-N 3.21Å; N260-R262 PolarHBondContact O-N 3.28Å; R262-L265 PolarHBondContact O-N 2.75Å; R262-R266 WeakPolarHBondContact O-CG 3.14Å; R262-R266 PolarHBondContact O-N 2.8Å; R262-R266 VanDerWaalsContact O-N 3.16Å
263K95.3Very high91Very high130 Ų13091.9 Ų91.957%0.56544%0.439SS*.Hα-helixtrans-64-42171.7-74.5173.3-178.91760111.6I259 N260 Y261 R266 A267I259-K263 HydrophobicContact CG2-CD 4.49Å; I259-K263 WeakPolarHBondContact O-CG 3.29Å; I259-K263 PolarHBondContact O-N 2.88Å; I259-K263 VanDerWaalsContact O-N 3.08Å; N260-K263 WeakPolarHBondContact O-CB 3.47Å; N260-K263 PolarHBondContact O-N 3.12Å; Y261-K263 VanDerWaalsContact C-N 3.31Å; Y261-K263 PolarHBondContact O-N 3.34Å; K263-R266 PolarHBondContact O-N 3.41Å; K263-A267 PolarHBondContact O-N 3.33Å; K263-A267 VanDerWaalsContact O-N 3.11Å
264M94.1Very high89.8Confident104 Ų10495 Ų9551%0.51246%0.455SS..Hα-helixtrans-63.5-42.8176.4-64.6177.4-177.400111.9L242 N260 Y261 R266 A267 L268L242-M264 HydrophobicContact CD1-CB 4.12Å; N260-M264 PolarHBondContact O-N 2.97Å; N260-M264 VanDerWaalsContact O-N 3.15Å; Y261-M264 HydrophobicContact CD1-SD 4.47Å; Y261-M264 WeakPolarHBondContact O-CB 3.03Å; Y261-M264 PolarHBondContact O-N 3.18Å; Y261-M264 VanDerWaalsContact O-N 3.14Å; M264-R266 PolarHBondContact O-N 2.9Å; M264-A267 WeakPolarHBondContact O-CB 3.47Å; M264-A267 PolarHBondContact O-N 3.32Å; M264-A267 VanDerWaalsContact O-N 3.16Å; M264-L268 PolarHBondContact O-N 2.94Å
265L94.2Very high89.6Confident20 Ų2096.5 Ų96.511%0.10546%0.463CS..Hα-helixtrans-56.5-48.3174.7-80.6169.8000112.1K239 L242 E243 V246 Y261 R262 A267 L268 E269K239-L265 HydrophobicContact CG-CD2 4.06Å; L242-L265 HydrophobicContact CB-CD1 4.41Å; L242-L265 HydrophobicContact CB-CD2 3.5Å; L242-L265 VanDerWaalsContact CB-CD2 3.5Å; L242-L265 HydrophobicContact CB-CG 3.77Å; L242-L265 HydrophobicContact CD1-CD2 4.2Å; L242-L265 HydrophobicContact CD1-CG 4.4Å; E243-L265 HydrophobicContact CG-CD1 4.19Å; E243-L265 HydrophobicContact CG-CD2 3.94Å; V246-L265 HydrophobicContact CG2-CD1 3.88Å; Y261-L265 PolarHBondContact O-N 3Å; R262-L265 PolarHBondContact O-N 2.75Å; L265-A267 VanDerWaalsContact C-N 3.28Å; L265-A267 PolarHBondContact O-N 3.1Å; L265-L268 WeakPolarHBondContact O-CB 3.44Å; L265-L268 PolarHBondContact O-N 3.24Å; L265-L268 VanDerWaalsContact O-N 3.13Å; L265-E269 WeakPolarHBondContact O-CG 3.5Å; L265-E269 PolarHBondContact O-N 3.3Å
266R93.2Very high89.4Confident163 Ų16395.6 Ų95.662%0.61546%0.456SS*.Hα-helixtrans-61.4-35.4177-69.7175.2-173.1176.31.5112.8R262 K263 M264 K270R262-R266 WeakPolarHBondContact O-CG 3.14Å; R262-R266 PolarHBondContact O-N 2.8Å; R262-R266 VanDerWaalsContact O-N 3.16Å; K263-R266 PolarHBondContact O-N 3.41Å; M264-R266 PolarHBondContact O-N 2.9Å; R266-K270 WeakPolarHBondContact O-CG 3.45Å; R266-K270 PolarHBondContact O-N 3.44Å
267A92.8Very high89.2Confident52 Ų5292.3 Ų92.343%0.4344%0.442SS..Hα-helixtrans-67.9-41.1175.600000111.2K263 M264 L265 K270 I271K263-A267 PolarHBondContact O-N 3.33Å; K263-A267 VanDerWaalsContact O-N 3.11Å; M264-A267 WeakPolarHBondContact O-CB 3.47Å; M264-A267 PolarHBondContact O-N 3.32Å; M264-A267 VanDerWaalsContact O-N 3.16Å; L265-A267 VanDerWaalsContact C-N 3.28Å; L265-A267 PolarHBondContact O-N 3.1Å; A267-K270 PolarHBondContact O-N 2.88Å; A267-I271 PolarHBondContact O-N 2.74Å
268L91.3Very high88.8Confident10 Ų1093.3 Ų93.35%0.05245%0.445CS..Hα-helixtrans-65.6-37178.2-171.569.2000112.8Y235 L238 K239 L242 M264 L265 K270 I271 K272Y235-L268 HydrophobicContact CD1-CD1 3.42Å; Y235-L268 VanDerWaalsContact CD1-CD1 3.42Å; Y235-L268 HydrophobicContact CE1-CD1 4.14Å; Y235-L268 HydrophobicContact CG-CD1 4.1Å; L238-L268 HydrophobicContact CB-CD2 4.21Å; L238-L268 HydrophobicContact CD2-CD1 4.19Å; L238-L268 HydrophobicContact CG-CD2 4.21Å; K239-L268 HydrophobicContact CB-CD2 3.53Å; K239-L268 HydrophobicContact CG-CD2 4.4Å; K239-L268 VanDerWaalsContact N-CD2 3.32Å; L242-L268 HydrophobicContact CD1-CD2 4.4Å; M264-L268 PolarHBondContact O-N 2.94Å; L265-L268 WeakPolarHBondContact O-CB 3.44Å; L265-L268 PolarHBondContact O-N 3.24Å; L265-L268 VanDerWaalsContact O-N 3.13Å; L268-K270 VanDerWaalsContact C-N 3.33Å; L268-K270 PolarHBondContact O-N 2.8Å; L268-I271 WeakPolarHBondContact O-CB 3.48Å; L268-I271 PolarHBondContact O-N 3.04Å; L268-I271 VanDerWaalsContact O-N 3.16Å; L268-K272 PolarHBondContact O-N 3.36Å
269E88Confident88.4Confident83 Ų8398.4 Ų98.439%0.38847%0.468SS..Hα-helixtrans-60.9-42.4175.8-73176.915600111.7K239 L265 I271 K272K239-E269 IonicContact NZ-OE1 3.88Å; K239-E269 PolarHBondContact NZ-OE1 2.97Å; L265-E269 WeakPolarHBondContact O-CG 3.5Å; L265-E269 PolarHBondContact O-N 3.3Å; E269-I271 PolarHBondContact O-N 3.07Å; E269-K272 PolarHBondContact O-N 3.2Å; E269-K272 VanDerWaalsContact O-N 3.12Å
270K89Confident88Confident153 Ų15399.6 Ų99.667%0.66547%0.472SS*.Hα-helixtrans-63.7-27.2175.3-66.3178.1179.2-170.70113.8R266 A267 L268R266-K270 WeakPolarHBondContact O-CG 3.45Å; R266-K270 PolarHBondContact O-N 3.44Å; A267-K270 PolarHBondContact O-N 2.88Å; L268-K270 VanDerWaalsContact C-N 3.33Å; L268-K270 PolarHBondContact O-N 2.8Å
271I85.7Confident87.4Confident63 Ų63101.2 Ų101.232%0.32348%0.476SS..Hα-helixtrans-72.9-31.1176.9-65.9170.2000110.8Y235 A267 L268 E269 D273 L274Y235-I271 HydrophobicContact CE1-CD1 3.93Å; Y235-I271 HydrophobicContact CE2-CG2 4.38Å; A267-I271 PolarHBondContact O-N 2.74Å; L268-I271 WeakPolarHBondContact O-CB 3.48Å; L268-I271 PolarHBondContact O-N 3.04Å; L268-I271 VanDerWaalsContact O-N 3.16Å; E269-I271 PolarHBondContact O-N 3.07Å; I271-D273 PolarHBondContact O-N 3.34Å; I271-L274 PolarHBondContact O-N 3.46Å
272K73Confident86.8Confident132 Ų132105.6 Ų105.657%0.57450%0.499SS*.Hα-helixtrans-69.2-19.9177.9-70-171.1176.6-171.50113.4L268 E269 L274L268-K272 PolarHBondContact O-N 3.36Å; E269-K272 PolarHBondContact O-N 3.2Å; E269-K272 VanDerWaalsContact O-N 3.12Å; K272-L274 VanDerWaalsContact C-N 3.33Å
273D69.7Low86.1Confident139 Ų139104.3 Ų104.374%0.74350%0.503SS*.THydrogen-bonded Turntrans-86.3-2.5178.9-60.1-30.6000113.1I271I271-D273 PolarHBondContact O-N 3.34Å
274L66.7Low85.2Confident202 Ų202101.9 Ų101.9100%1.05850%0.497SS*.  trans-91.10174.3-65.4173.3000111.4I271 K272I271-L274 PolarHBondContact O-N 3.46Å; K272-L274 VanDerWaalsContact C-N 3.33Å

Retrieved 274 of 274 residues in 60.6 ms (Link to these results)

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