A0A077ZLU1_TRITR Loading...

PTS EIIC domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLU1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 200 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
1M67.6Low84.9Confident148 Ų14893.7 Ų93.773%0.72948%0.48SS*.  0128.20-172.4165.162.900106.8F6M1-F6 VanDerWaalsContact CE-CA 3.42Å; M1-F6 HydrophobicContact CE-CB 3.76Å; M1-F6 HydrophobicContact CE-CD2 3.82Å; M1-F6 HydrophobicContact CE-CG 4.28Å
2N86.4Confident85.3Confident137 Ų13799 Ų9973%0.73349%0.489SS*.  trans-69160.4178.5-63.1-3.6000110L4 G5 F6N2-L4 PolarHBondContact O-N 3.37Å; N2-G5 WeakPolarHBondContact O-CA 3.45Å; N2-G5 PolarHBondContact O-N 3.41Å; N2-F6 PolarHBondContact O-N 3.09Å
3I84.6Confident85.8Confident134 Ų13491.5 Ų91.569%0.68745%0.453SS*.Hα-helixtrans-52.1-43.4-179.1-65.5172.6000111.1G5 F6 F7I3-G5 PolarHBondContact O-N 2.92Å; I3-F6 WeakPolarHBondContact O-CB 3.35Å; I3-F6 PolarHBondContact O-N 3.08Å; I3-F7 HydrophobicContact CG2-CD2 3.75Å; I3-F7 HydrophobicContact CG2-CE2 3.48Å; I3-F7 VanDerWaalsContact CG2-CE2 3.48Å; I3-F7 WeakPolarHBondContact O-CD2 3.09Å; I3-F7 PolarHBondContact O-N 3.03Å; I3-F7 VanDerWaalsContact O-N 3.11Å
4L85.2Confident86.3Confident121 Ų12186.3 Ų86.363%0.63443%0.427SS*.Hα-helixtrans-60.9-43.6176.7-175.463.1000112.6N2 F6 F7 Q8N2-L4 PolarHBondContact O-N 3.37Å; L4-F6 VanDerWaalsContact C-N 3.27Å; L4-F6 PolarHBondContact O-N 3.28Å; L4-F7 PolarHBondContact O-N 2.69Å; L4-Q8 WeakPolarHBondContact O-CG 3.38Å; L4-Q8 PolarHBondContact O-N 2.82Å
5G87.5Confident86.7Confident19 Ų1988.9 Ų88.920%0.19644%0.438CS..Hα-helixtrans-64.4-32.6177.900000112.6N2 I3 R9N2-G5 WeakPolarHBondContact O-CA 3.45Å; N2-G5 PolarHBondContact O-N 3.41Å; I3-G5 PolarHBondContact O-N 2.92Å; G5-R9 WeakPolarHBondContact O-CB 3.39Å; G5-R9 PolarHBondContact O-N 3.35Å
6F85.5Confident87.1Confident80 Ų8089.1 Ų89.135%0.35144%0.441SS..Hα-helixtrans-63.6-51.8172.3177.6-96.9000111.7M1 N2 I3 L4 Q8 R9 L10 W64M1-F6 VanDerWaalsContact CE-CA 3.42Å; M1-F6 HydrophobicContact CE-CB 3.76Å; M1-F6 HydrophobicContact CE-CD2 3.82Å; M1-F6 HydrophobicContact CE-CG 4.28Å; N2-F6 PolarHBondContact O-N 3.09Å; I3-F6 WeakPolarHBondContact O-CB 3.35Å; I3-F6 PolarHBondContact O-N 3.08Å; L4-F6 VanDerWaalsContact C-N 3.27Å; L4-F6 PolarHBondContact O-N 3.28Å; F6-Q8 VanDerWaalsContact C-N 3.3Å; F6-Q8 PolarHBondContact O-N 2.95Å; F6-R9 PolarHBondContact O-N 3.18Å; F6-L10 HydrophobicContact CE1-CD2 4.2Å; F6-L10 WeakPolarHBondContact O-CB 3.43Å; F6-L10 PolarHBondContact O-N 3.15Å; F6-W64 HydrophobicContact CD2-CH2 4.15Å; F6-W64 AromaticContact CE2-CH2 3.91Å; F6-W64 HydrophobicContact CE2-CH2 3.91Å; F6-W64 HydrophobicContact CE2-CZ2 4.18Å
7F85.4Confident87.4Confident123 Ų12383.9 Ų83.954%0.53942%0.415SS..Hα-helixtrans-62.5-36.5178.5-76.1-68.8000112.7I3 L4 L10 G11I3-F7 HydrophobicContact CG2-CD2 3.75Å; I3-F7 HydrophobicContact CG2-CE2 3.48Å; I3-F7 VanDerWaalsContact CG2-CE2 3.48Å; I3-F7 WeakPolarHBondContact O-CD2 3.09Å; I3-F7 PolarHBondContact O-N 3.03Å; I3-F7 VanDerWaalsContact O-N 3.11Å; L4-F7 PolarHBondContact O-N 2.69Å; F7-L10 PolarHBondContact O-N 3.28Å; F7-G11 PolarHBondContact O-N 3.16Å
8Q87.7Confident87.8Confident118 Ų11884 Ų8455%0.55142%0.417SS*.Hα-helixtrans-65-43.2174.6-74.1175.2-31.200112.4L4 F6 L10 G11 R12L4-Q8 WeakPolarHBondContact O-CG 3.38Å; L4-Q8 PolarHBondContact O-N 2.82Å; F6-Q8 VanDerWaalsContact C-N 3.3Å; F6-Q8 PolarHBondContact O-N 2.95Å; Q8-L10 VanDerWaalsContact C-N 3.34Å; Q8-G11 PolarHBondContact O-N 2.99Å; Q8-R12 PolarHBondContact O-N 3.45Å; Q8-R12 VanDerWaalsContact O-N 3.12Å
9R88.6Confident88.1Confident84 Ų8483.1 Ų83.132%0.31742%0.424SS..Hα-helixtrans-66.2-40.1175.9-167.6-176.8169175.2-2.9110.9G5 F6 R12 A13 W64G5-R9 WeakPolarHBondContact O-CB 3.39Å; G5-R9 PolarHBondContact O-N 3.35Å; F6-R9 PolarHBondContact O-N 3.18Å; R9-R12 PolarHBondContact O-N 3.45Å; R9-A13 PolarHBondContact O-N 3.49Å; R9-W64 HydrophobicContact CB-CH2 4.11Å; R9-W64 HydrophobicContact CB-CZ3 3.86Å; R9-W64 HydrophobicContact CG-CE3 4Å; R9-W64 HydrophobicContact CG-CH2 3.9Å; R9-W64 HydrophobicContact CG-CZ3 3.47Å; R9-W64 VanDerWaalsContact CG-CZ3 3.47Å; R9-W64 PolarHBondContact NH2-O 2.94Å
10L88.1Confident88.4Confident29 Ų2981.5 Ų81.515%0.15242%0.418CS..Hα-helixtrans-61.7-47.1176.7-178.960.8000110.7F6 F7 Q8 R12 A13 L14 W64 I102 L106F6-L10 HydrophobicContact CE1-CD2 4.2Å; F6-L10 WeakPolarHBondContact O-CB 3.43Å; F6-L10 PolarHBondContact O-N 3.15Å; F7-L10 PolarHBondContact O-N 3.28Å; Q8-L10 VanDerWaalsContact C-N 3.34Å; L10-R12 VanDerWaalsContact C-N 3.3Å; L10-R12 PolarHBondContact O-N 3.2Å; L10-A13 WeakPolarHBondContact O-CB 3.39Å; L10-A13 PolarHBondContact O-N 3.43Å; L10-L14 HydrophobicContact CG-CD1 4.29Å; L10-L14 WeakPolarHBondContact O-CG 3.2Å; L10-L14 PolarHBondContact O-N 2.91Å; L10-L14 VanDerWaalsContact O-N 3.13Å; L10-W64 HydrophobicContact CB-CZ3 4.4Å; L10-I102 HydrophobicContact CD1-CG2 4.31Å; L10-L106 HydrophobicContact CD1-CD1 3.88Å; L10-L106 HydrophobicContact CD1-CD2 3.88Å; L10-L106 HydrophobicContact CD1-CG 4.29Å
11G87.5Confident88.7Confident38 Ų3880.1 Ų80.139%0.39241%0.411SS..Hα-helixtrans-56-42.8175.400000112.8F7 Q8 L14F7-G11 PolarHBondContact O-N 3.16Å; Q8-G11 PolarHBondContact O-N 2.99Å; G11-L14 PolarHBondContact O-N 3.42Å
12R89.5Confident90.1Very high157 Ų15776.7 Ų76.759%0.59240%0.4SS*.Hα-helixtrans-64.7-37.5174.3-73-170.8-70.2171.6-2.1112.9Q8 R9 L10 L14 Q15Q8-R12 PolarHBondContact O-N 3.45Å; Q8-R12 VanDerWaalsContact O-N 3.12Å; R9-R12 PolarHBondContact O-N 3.45Å; L10-R12 VanDerWaalsContact C-N 3.3Å; L10-R12 PolarHBondContact O-N 3.2Å; R12-L14 PolarHBondContact O-N 3.13Å; R12-Q15 WeakPolarHBondContact O-CB 3.1Å; R12-Q15 PolarHBondContact O-N 3.26Å
13A91.5Very high90.6Very high2 Ų274.1 Ų74.12%0.01739%0.389CS..Hα-helixtrans-66.3-27.9178.800000113.4R9 L10 Q15 V60 S63 W64R9-A13 PolarHBondContact O-N 3.49Å; L10-A13 WeakPolarHBondContact O-CB 3.39Å; L10-A13 PolarHBondContact O-N 3.43Å; A13-Q15 VanDerWaalsContact C-N 3.34Å; A13-V60 HydrophobicContact CB-CG1 4.34Å; A13-S63 WeakPolarHBondContact CA-OG 3.46Å; A13-W64 HydrophobicContact CB-CE3 3.75Å; A13-W64 HydrophobicContact CB-CZ3 4.38Å
14L93Very high91.2Very high18 Ų1867.8 Ų67.89%0.09436%0.356CS..THydrogen-bonded Turntrans-81-11.4178.5-61168.6000113.4L10 G11 R12 L16 P17 I18 F56 V60 I102L10-L14 HydrophobicContact CG-CD1 4.29Å; L10-L14 WeakPolarHBondContact O-CG 3.2Å; L10-L14 PolarHBondContact O-N 2.91Å; L10-L14 VanDerWaalsContact O-N 3.13Å; G11-L14 PolarHBondContact O-N 3.42Å; R12-L14 PolarHBondContact O-N 3.13Å; L14-L16 PolarHBondContact O-N 2.78Å; L14-P17 WeakPolarHBondContact O-CD 3.45Å; L14-I18 HydrophobicContact CB-CD1 4.02Å; L14-I18 WeakPolarHBondContact O-CB 3.45Å; L14-I18 VanDerWaalsContact O-CD1 3.29Å; L14-I18 WeakPolarHBondContact O-CD1 3.31Å; L14-I18 WeakPolarHBondContact O-CG1 3.46Å; L14-I18 PolarHBondContact O-N 3.08Å; L14-F56 HydrophobicContact CD2-CD1 3.74Å; L14-F56 HydrophobicContact CD2-CE1 3.72Å; L14-V60 HydrophobicContact CD2-CG2 3.54Å; L14-I102 HydrophobicContact CD2-CD1 3.87Å; L14-I102 HydrophobicContact CD2-CG1 3.74Å; L14-I102 HydrophobicContact CD2-CG2 4.36Å
15Q92.9Very high91.7Very high125 Ų12564.1 Ų64.158%0.58434%0.344SS*.Hα-helixtrans-63.6-40.4-176.7-70.4178.2-18.600112.9R12 A13 I18 A19R12-Q15 WeakPolarHBondContact O-CB 3.1Å; R12-Q15 PolarHBondContact O-N 3.26Å; A13-Q15 VanDerWaalsContact C-N 3.34Å; Q15-I18 PolarHBondContact O-N 3.04Å; Q15-A19 WeakPolarHBondContact O-CB 3.21Å; Q15-A19 PolarHBondContact O-N 3.2Å
16L92Very high92.3Very high93 Ų9367.7 Ų67.749%0.48736%0.358SS..Hα-helixtrans-64.8-49-176.7178.963.4000112.4L14 I18 A19L14-L16 PolarHBondContact O-N 2.78Å; L16-I18 PolarHBondContact O-N 3.35Å; L16-A19 WeakPolarHBondContact O-CB 3.5Å; L16-A19 PolarHBondContact O-N 2.99Å
17P93.2Very high92.8Very high1 Ų166.5 Ų66.51%0.00636%0.355CS..Hα-helixtrans-58.4-43170.6-23.629.6000113.7L14 A19 V20 I55 F56 V60L14-P17 WeakPolarHBondContact O-CD 3.45Å; P17-A19 PolarHBondContact O-N 2.94Å; P17-V20 WeakPolarHBondContact O-CB 3.41Å; P17-V20 PolarHBondContact O-N 2.99Å; P17-V20 VanDerWaalsContact O-N 3.11Å; P17-I55 HydrophobicContact CB-CG2 4.34Å; P17-F56 HydrophobicContact CB-CB 4.43Å; P17-F56 HydrophobicContact CB-CD1 3.85Å; P17-F56 HydrophobicContact CB-CD2 3.58Å; P17-F56 HydrophobicContact CB-CE1 3.94Å; P17-F56 HydrophobicContact CB-CE2 3.7Å; P17-F56 HydrophobicContact CB-CG 3.69Å; P17-F56 HydrophobicContact CB-CZ 3.88Å; P17-F56 HydrophobicContact CG-CB 4.48Å; P17-F56 HydrophobicContact CG-CD1 4.03Å; P17-F56 HydrophobicContact CG-CD2 4.45Å; P17-F56 HydrophobicContact CG-CE1 4.4Å; P17-F56 HydrophobicContact CG-CG 4.07Å; P17-V60 HydrophobicContact CG-CG2 4.24Å
18I93.5Very high93.3Very high85 Ų8563.4 Ų63.444%0.43634%0.344SS..Hα-helixtrans-63.4-33.6-178-70.3168.6000111.2L14 Q15 L16 V20 L21 F56L14-I18 HydrophobicContact CB-CD1 4.02Å; L14-I18 WeakPolarHBondContact O-CB 3.45Å; L14-I18 VanDerWaalsContact O-CD1 3.29Å; L14-I18 WeakPolarHBondContact O-CD1 3.31Å; L14-I18 WeakPolarHBondContact O-CG1 3.46Å; L14-I18 PolarHBondContact O-N 3.08Å; Q15-I18 PolarHBondContact O-N 3.04Å; L16-I18 PolarHBondContact O-N 3.35Å; I18-V20 PolarHBondContact O-N 3.18Å; I18-V20 VanDerWaalsContact O-N 3.12Å; I18-L21 HydrophobicContact CG2-CD1 4.37Å; I18-L21 WeakPolarHBondContact O-CB 3.37Å; I18-L21 WeakPolarHBondContact O-CG 3.48Å; I18-L21 PolarHBondContact O-N 3.49Å; I18-F56 HydrophobicContact CG1-CE1 4.44Å; I18-F56 HydrophobicContact CG1-CZ 3.95Å
19A95Very high93.8Very high67 Ų6763.5 Ų63.555%0.55434%0.339SS*.THydrogen-bonded Turntrans-61.8-18.6177.500000113.7Q15 L16 P17 P22Q15-A19 WeakPolarHBondContact O-CB 3.21Å; Q15-A19 PolarHBondContact O-N 3.2Å; L16-A19 WeakPolarHBondContact O-CB 3.5Å; L16-A19 PolarHBondContact O-N 2.99Å; P17-A19 PolarHBondContact O-N 2.94Å; A19-P22 WeakPolarHBondContact O-CD 3.29Å
20V93.7Very high94.2Very high51 Ų5164.4 Ų64.431%0.30935%0.345SS..THydrogen-bonded Turntrans-79.9-25.6176.8-172.10000111.8P17 I18 V23 A24 I48 I55P17-V20 WeakPolarHBondContact O-CB 3.41Å; P17-V20 PolarHBondContact O-N 2.99Å; P17-V20 VanDerWaalsContact O-N 3.11Å; I18-V20 PolarHBondContact O-N 3.18Å; I18-V20 VanDerWaalsContact O-N 3.12Å; V20-V23 PolarHBondContact O-N 3.41Å; V20-A24 PolarHBondContact O-N 3.24Å; V20-A24 VanDerWaalsContact O-N 3.16Å; V20-I48 HydrophobicContact CG1-CD1 4.4Å; V20-I48 HydrophobicContact CG1-CG2 3.69Å; V20-I55 HydrophobicContact CG2-CG2 4.32Å
21L94.7Very high94.6Very high52 Ų5263.1 Ų63.127%0.27234%0.34SS..Hα-helixtrans-58.5-41.4-173.3-64179.6000114.7I18 V23 A24 A25 F49 L52I18-L21 HydrophobicContact CG2-CD1 4.37Å; I18-L21 WeakPolarHBondContact O-CB 3.37Å; I18-L21 WeakPolarHBondContact O-CG 3.48Å; I18-L21 PolarHBondContact O-N 3.49Å; L21-V23 VanDerWaalsContact C-N 3.31Å; L21-V23 PolarHBondContact O-N 3.13Å; L21-A24 WeakPolarHBondContact O-CB 3.35Å; L21-A24 PolarHBondContact O-N 2.96Å; L21-A25 WeakPolarHBondContact O-CB 3.32Å; L21-A25 PolarHBondContact O-N 3.36Å; L21-F49 HydrophobicContact CD2-CE1 4.08Å; L21-L52 HydrophobicContact CD2-CD1 3.59Å; L21-L52 HydrophobicContact CD2-CD2 4.1Å
22P97.1Very high95.1Very high77 Ų7764.3 Ų64.350%0.534%0.335SS..Hα-helixtrans-59-41.7178.9-26.136.1000112.8A19 A25 L26A19-P22 WeakPolarHBondContact O-CD 3.29Å; P22-A25 PolarHBondContact O-N 2.87Å; P22-L26 WeakPolarHBondContact O-CB 3.41Å; P22-L26 VanDerWaalsContact O-CG 3.25Å; P22-L26 WeakPolarHBondContact O-CG 3.25Å; P22-L26 PolarHBondContact O-N 3.38Å
23V97.1Very high95.4Very high83 Ų8361.2 Ų61.250%0.50334%0.335SS..Hα-helixtrans-68.5-43.3178172.40000110.5V20 L21 A25 L26 L27V20-V23 PolarHBondContact O-N 3.41Å; L21-V23 VanDerWaalsContact C-N 3.31Å; L21-V23 PolarHBondContact O-N 3.13Å; V23-A25 VanDerWaalsContact C-N 3.31Å; V23-A25 PolarHBondContact O-N 3.28Å; V23-L26 PolarHBondContact O-N 2.95Å; V23-L27 HydrophobicContact CG1-CD1 3.73Å; V23-L27 HydrophobicContact CG1-CG 4.18Å; V23-L27 WeakPolarHBondContact O-CB 3.38Å; V23-L27 VanDerWaalsContact O-CG 3.25Å; V23-L27 WeakPolarHBondContact O-CG 3.2Å; V23-L27 PolarHBondContact O-N 3.35Å
24A96.5Very high95.6Very high0 Ų065.8 Ų65.80%036%0.359CS..Hα-helixtrans-56-47.5175.400000111.8V20 L21 L28 G45 I48 F49V20-A24 PolarHBondContact O-N 3.24Å; V20-A24 VanDerWaalsContact O-N 3.16Å; L21-A24 WeakPolarHBondContact O-CB 3.35Å; L21-A24 PolarHBondContact O-N 2.96Å; A24-L28 VanDerWaalsContact O-CB 3.29Å; A24-L28 WeakPolarHBondContact O-CB 3.31Å; A24-L28 PolarHBondContact O-N 3.41Å; A24-G45 WeakPolarHBondContact O-CA 3.49Å; A24-I48 HydrophobicContact CB-CB 3.8Å; A24-I48 HydrophobicContact CB-CD1 4.12Å; A24-I48 HydrophobicContact CB-CG2 3.57Å; A24-F49 VanDerWaalsContact C-CE2 3.46Å; A24-F49 HydrophobicContact CB-CD2 4.08Å; A24-F49 HydrophobicContact CB-CE1 4.17Å; A24-F49 HydrophobicContact CB-CE2 3.64Å; A24-F49 HydrophobicContact CB-CZ 3.68Å; A24-F49 WeakPolarHBondContact O-CE2 3.29Å
25A96.9Very high95.7Very high45 Ų4568.9 Ų68.937%0.37238%0.375SS..Hα-helixtrans-66.2-45-179.400000112.3L21 P22 V23 L28 R29 F49L21-A25 WeakPolarHBondContact O-CB 3.32Å; L21-A25 PolarHBondContact O-N 3.36Å; P22-A25 PolarHBondContact O-N 2.87Å; V23-A25 VanDerWaalsContact C-N 3.31Å; V23-A25 PolarHBondContact O-N 3.28Å; A25-L28 PolarHBondContact O-N 3.23Å; A25-R29 WeakPolarHBondContact O-CB 3.19Å; A25-R29 PolarHBondContact O-N 3.25Å; A25-F49 HydrophobicContact CB-CZ 4.13Å
26L98Very high95.8Very high94 Ų9468 Ų6849%0.49237%0.374SS..Hα-helixtrans-64.6-44.5178.9-72.7173.4000111.8P22 V23 R29 F30P22-L26 WeakPolarHBondContact O-CB 3.41Å; P22-L26 VanDerWaalsContact O-CG 3.25Å; P22-L26 WeakPolarHBondContact O-CG 3.25Å; P22-L26 PolarHBondContact O-N 3.38Å; V23-L26 PolarHBondContact O-N 2.95Å; L26-R29 PolarHBondContact O-N 2.86Å; L26-F30 HydrophobicContact CB-CD2 4.38Å; L26-F30 HydrophobicContact CB-CE2 4.26Å; L26-F30 HydrophobicContact CD2-CE2 4.08Å; L26-F30 HydrophobicContact CD2-CZ 4.15Å; L26-F30 WeakPolarHBondContact O-CB 3.46Å; L26-F30 VanDerWaalsContact O-CD2 3.29Å; L26-F30 WeakPolarHBondContact O-CD2 3.23Å; L26-F30 WeakPolarHBondContact O-CG 3.24Å; L26-F30 PolarHBondContact O-N 3.26Å
27L97.7Very high96.1Very high54 Ų5468.8 Ų68.828%0.28338%0.379SS..Hα-helixtrans-61.9-49175.8-69.1174.7000110.7V23 R29 G31 I41 A44V23-L27 HydrophobicContact CG1-CD1 3.73Å; V23-L27 HydrophobicContact CG1-CG 4.18Å; V23-L27 WeakPolarHBondContact O-CB 3.38Å; V23-L27 VanDerWaalsContact O-CG 3.25Å; V23-L27 WeakPolarHBondContact O-CG 3.2Å; V23-L27 PolarHBondContact O-N 3.35Å; L27-R29 VanDerWaalsContact C-N 3.3Å; L27-R29 PolarHBondContact O-N 3.03Å; L27-G31 PolarHBondContact O-N 3.38Å; L27-I41 CarbonylContact C-O 3.51Å; L27-I41 HydrophobicContact CB-CG2 4.37Å; L27-I41 HydrophobicContact CD2-CG2 3.97Å; L27-I41 CarbonylContact O-C 3.55Å; L27-I41 VanDerWaalsContact O-CG2 3.27Å; L27-I41 WeakPolarHBondContact O-CG2 3.33Å; L27-A44 HydrophobicContact CD1-CB 4.26Å
28L95.7Very high96.3Very high59 Ų5971.4 Ų71.431%0.30940%0.395SS..Hα-helixtrans-60.9-42.1179.2-178.361.1000111.6A24 A25 Q32 A42 F49A24-L28 VanDerWaalsContact O-CB 3.29Å; A24-L28 WeakPolarHBondContact O-CB 3.31Å; A24-L28 PolarHBondContact O-N 3.41Å; A25-L28 PolarHBondContact O-N 3.23Å; L28-Q32 WeakPolarHBondContact O-CG 3.08Å; L28-Q32 PolarHBondContact O-NE2 3.1Å; L28-A42 WeakPolarHBondContact CD1-O 3.25Å; L28-F49 HydrophobicContact CB-CE2 4.14Å; L28-F49 HydrophobicContact CD2-CD2 3.8Å; L28-F49 HydrophobicContact CD2-CE2 3.77Å
29R97Very high96.4Very high120 Ų12070.8 Ų70.845%0.45340%0.402SS..Hα-helixtrans-70.6-50.2-177.9-17755.5-176.6143.64.6111.7A25 L26 L27 G31 Q32 D34 L35A25-R29 WeakPolarHBondContact O-CB 3.19Å; A25-R29 PolarHBondContact O-N 3.25Å; L26-R29 PolarHBondContact O-N 2.86Å; L27-R29 VanDerWaalsContact C-N 3.3Å; L27-R29 PolarHBondContact O-N 3.03Å; R29-G31 VanDerWaalsContact C-N 3.26Å; R29-G31 PolarHBondContact O-N 3.05Å; R29-Q32 WeakPolarHBondContact O-CB 3.46Å; R29-Q32 VanDerWaalsContact O-CG 3.32Å; R29-Q32 WeakPolarHBondContact O-CG 3.48Å; R29-Q32 PolarHBondContact O-N 3.09Å; R29-Q32 VanDerWaalsContact O-N 3.13Å; R29-D34 IonicContact CZ-OD1 2.95Å; R29-D34 IonicContact CZ-OD2 2.69Å; R29-D34 VanDerWaalsContact NH1-CG 3.29Å; R29-D34 IonicContact NH1-OD1 3.2Å; R29-D34 PolarHBondContact NH1-OD1 3.15Å; R29-D34 IonicContact NH1-OD2 3.92Å; R29-D34 PolarHBondContact NH1-OD2 3.31Å; R29-D34 IonicContact NH2-OD2 2.82Å; R29-D34 PolarHBondContact NH2-OD2 2.8Å; R29-L35 HydrophobicContact CG-CD1 3.79Å; R29-L35 WeakPolarHBondContact O-CD1 3.44Å
30F97.6Very high96.5Very high102 Ų10275.7 Ų75.745%0.44741%0.411SS..Hα-helixtrans-63.8-30.3-176.6-73-36.3000113.6L26 Q32 L35 L36 I41L26-F30 HydrophobicContact CB-CD2 4.38Å; L26-F30 HydrophobicContact CB-CE2 4.26Å; L26-F30 HydrophobicContact CD2-CE2 4.08Å; L26-F30 HydrophobicContact CD2-CZ 4.15Å; L26-F30 WeakPolarHBondContact O-CB 3.46Å; L26-F30 VanDerWaalsContact O-CD2 3.29Å; L26-F30 WeakPolarHBondContact O-CD2 3.23Å; L26-F30 WeakPolarHBondContact O-CG 3.24Å; L26-F30 PolarHBondContact O-N 3.26Å; F30-Q32 VanDerWaalsContact C-N 3.25Å; F30-Q32 PolarHBondContact O-N 3.25Å; F30-L35 HydrophobicContact CD1-CD1 4.12Å; F30-L36 HydrophobicContact CB-CD1 4.07Å; F30-L36 WeakPolarHBondContact O-CB 3.47Å; F30-L36 WeakPolarHBondContact O-CG 3.09Å; F30-L36 PolarHBondContact O-N 2.95Å; F30-L36 VanDerWaalsContact O-N 3.08Å; F30-I41 HydrophobicContact CB-CG2 4.37Å
31G96.7Very high96.7Very high3 Ų375.3 Ų75.33%0.03141%0.407CS..THydrogen-bonded Turntrans-75.3-6.1177.100000115.4L27 R29 V38L27-G31 PolarHBondContact O-N 3.38Å; R29-G31 VanDerWaalsContact C-N 3.26Å; R29-G31 PolarHBondContact O-N 3.05Å; G31-V38 WeakPolarHBondContact CA-O 3.27Å; G31-V38 CarbonylContact O-C 3.56Å; G31-V38 PolarHBondContact O-N 2.89Å
32Q97Very high96.8Very high62 Ų6273.3 Ų73.329%0.2940%0.399SS..SBendtrans-66.6154.7-176.9-65.9-57.1-46.500113.2L28 R29 F30 D34 L35 N37L28-Q32 WeakPolarHBondContact O-CG 3.08Å; L28-Q32 PolarHBondContact O-NE2 3.1Å; R29-Q32 WeakPolarHBondContact O-CB 3.46Å; R29-Q32 VanDerWaalsContact O-CG 3.32Å; R29-Q32 WeakPolarHBondContact O-CG 3.48Å; R29-Q32 PolarHBondContact O-N 3.09Å; R29-Q32 VanDerWaalsContact O-N 3.13Å; F30-Q32 VanDerWaalsContact C-N 3.25Å; F30-Q32 PolarHBondContact O-N 3.25Å; Q32-D34 WeakPolarHBondContact CB-OD1 3.36Å; Q32-D34 PolarHBondContact O-N 3.31Å; Q32-L35 PolarHBondContact O-N 3.29Å; Q32-N37 VanDerWaalsContact O-CA 3.31Å; Q32-N37 WeakPolarHBondContact O-CA 3.4Å; Q32-N37 PolarHBondContact O-N 3.19Å
33P95.9Very high96.8Very high92 Ų9276.1 Ų76.160%0.59741%0.405SS*.THydrogen-bonded Turntrans-59-27.8-178.6-25.334.9000115.1L35 N37P33-L35 VanDerWaalsContact C-N 3.34Å; P33-N37 WeakPolarHBondContact CA-OD1 3.34Å
34D95.6Very high96.8Very high99 Ų9974.2 Ų74.253%0.52940%0.398SS..THydrogen-bonded Turntrans-84-6.1179.166.3-50.9000113.9R29 Q32R29-D34 IonicContact CZ-OD1 2.95Å; R29-D34 IonicContact CZ-OD2 2.69Å; R29-D34 VanDerWaalsContact NH1-CG 3.29Å; R29-D34 IonicContact NH1-OD1 3.2Å; R29-D34 PolarHBondContact NH1-OD1 3.15Å; R29-D34 IonicContact NH1-OD2 3.92Å; R29-D34 PolarHBondContact NH1-OD2 3.31Å; R29-D34 IonicContact NH2-OD2 2.82Å; R29-D34 PolarHBondContact NH2-OD2 2.8Å; Q32-D34 WeakPolarHBondContact CB-OD1 3.36Å; Q32-D34 PolarHBondContact O-N 3.31Å
35L95.1Very high96.8Very high82 Ų8274.2 Ų74.243%0.42940%0.398SS..THydrogen-bonded Turntrans-116-107.9175.6-68.2-176.9000111.1R29 F30 Q32 P33 N37R29-L35 HydrophobicContact CG-CD1 3.79Å; R29-L35 WeakPolarHBondContact O-CD1 3.44Å; F30-L35 HydrophobicContact CD1-CD1 4.12Å; Q32-L35 PolarHBondContact O-N 3.29Å; P33-L35 VanDerWaalsContact C-N 3.34Å; L35-N37 VanDerWaalsContact C-N 3.33Å
36L96.7Very high96.7Very high106 Ų10672.4 Ų72.456%0.55538%0.384SS*.THydrogen-bonded Turntrans-82.3-15.5-178.7-55.8178000112.4F30 V38 I41F30-L36 HydrophobicContact CB-CD1 4.07Å; F30-L36 WeakPolarHBondContact O-CB 3.47Å; F30-L36 WeakPolarHBondContact O-CG 3.09Å; F30-L36 PolarHBondContact O-N 2.95Å; F30-L36 VanDerWaalsContact O-N 3.08Å; L36-V38 VanDerWaalsContact C-N 3.29Å; L36-V38 HydrophobicContact CB-CG2 4.01Å; L36-V38 WeakPolarHBondContact O-CG2 3.26Å; L36-V38 PolarHBondContact O-N 3.35Å; L36-I41 HydrophobicContact CD1-CD1 4.32Å
37N96.6Very high96.7Very high111 Ų11170.2 Ų70.259%0.59438%0.379SS*.  trans52.145.6-176.4-166.719.5000112.9Q32 P33 L35Q32-N37 VanDerWaalsContact O-CA 3.31Å; Q32-N37 WeakPolarHBondContact O-CA 3.4Å; Q32-N37 PolarHBondContact O-N 3.19Å; P33-N37 WeakPolarHBondContact CA-OD1 3.34Å; L35-N37 VanDerWaalsContact C-N 3.33Å
38V97.7Very high96.6Very high55 Ų5569.3 Ų69.333%0.33337%0.374SS..  trans-116.297.7179.7-176.20000109.4G31 L36 F40 I41 A42G31-V38 WeakPolarHBondContact CA-O 3.27Å; G31-V38 CarbonylContact O-C 3.56Å; G31-V38 PolarHBondContact O-N 2.89Å; L36-V38 VanDerWaalsContact C-N 3.29Å; L36-V38 HydrophobicContact CB-CG2 4.01Å; L36-V38 WeakPolarHBondContact O-CG2 3.26Å; L36-V38 PolarHBondContact O-N 3.35Å; V38-F40 HydrophobicContact CG1-CB 3.96Å; V38-F40 PolarHBondContact O-N 2.95Å; V38-F40 VanDerWaalsContact O-N 3.15Å; V38-I41 HydrophobicContact CB-CB 4.42Å; V38-I41 HydrophobicContact CB-CD1 4.07Å; V38-I41 HydrophobicContact CB-CG1 4.24Å; V38-I41 HydrophobicContact CG1-CB 4.39Å; V38-I41 HydrophobicContact CG1-CD1 4.05Å; V38-I41 HydrophobicContact CG1-CG1 3.91Å; V38-I41 PolarHBondContact O-N 2.99Å; V38-A42 PolarHBondContact O-N 3.04Å
39A96Very high96.5Very high72 Ų7269.9 Ų69.960%0.59537%0.374SS*.Hα-helixtrans-55.6-33.3179.400000113I41 A42 Q43A39-I41 VanDerWaalsContact C-N 3.3Å; A39-I41 PolarHBondContact O-N 3.29Å; A39-A42 PolarHBondContact O-N 3.42Å; A39-Q43 WeakPolarHBondContact O-CB 3.39Å; A39-Q43 VanDerWaalsContact O-CG 3.23Å; A39-Q43 WeakPolarHBondContact O-CG 3.23Å; A39-Q43 PolarHBondContact O-N 3.04Å
40F97.2Very high96.3Very high170 Ų17070.3 Ų70.375%0.74639%0.385SS*.Hα-helixtrans-56-42.4174.7173.7-93.3000112.8V38 A44V38-F40 HydrophobicContact CG1-CB 3.96Å; V38-F40 PolarHBondContact O-N 2.95Å; V38-F40 VanDerWaalsContact O-N 3.15Å; F40-A44 PolarHBondContact O-N 3.36Å
41I97.2Very high96.3Very high43 Ų4369.2 Ų69.222%0.22138%0.384CS..Hα-helixtrans-75.4-42.7179.6-63.9174.2000110.3L27 F30 L36 V38 A39 Q43 A44 G45L27-I41 CarbonylContact C-O 3.51Å; L27-I41 HydrophobicContact CB-CG2 4.37Å; L27-I41 HydrophobicContact CD2-CG2 3.97Å; L27-I41 CarbonylContact O-C 3.55Å; L27-I41 VanDerWaalsContact O-CG2 3.27Å; L27-I41 WeakPolarHBondContact O-CG2 3.33Å; F30-I41 HydrophobicContact CB-CG2 4.37Å; L36-I41 HydrophobicContact CD1-CD1 4.32Å; V38-I41 HydrophobicContact CB-CB 4.42Å; V38-I41 HydrophobicContact CB-CD1 4.07Å; V38-I41 HydrophobicContact CB-CG1 4.24Å; V38-I41 HydrophobicContact CG1-CB 4.39Å; V38-I41 HydrophobicContact CG1-CD1 4.05Å; V38-I41 HydrophobicContact CG1-CG1 3.91Å; V38-I41 PolarHBondContact O-N 2.99Å; A39-I41 VanDerWaalsContact C-N 3.3Å; A39-I41 PolarHBondContact O-N 3.29Å; I41-Q43 PolarHBondContact O-N 3.17Å; I41-A44 PolarHBondContact O-N 3.15Å; I41-G45 PolarHBondContact O-N 2.94Å
42A97.2Very high96.2Very high11 Ų1169.9 Ų69.99%0.09139%0.387CS..Hα-helixtrans-58.5-47.517800000111.4L28 V38 A39 A44 G45 G46L28-A42 WeakPolarHBondContact CD1-O 3.25Å; V38-A42 PolarHBondContact O-N 3.04Å; A39-A42 PolarHBondContact O-N 3.42Å; A42-A44 VanDerWaalsContact C-N 3.33Å; A42-A44 PolarHBondContact O-N 2.9Å; A42-G45 PolarHBondContact O-N 3.46Å; A42-G46 PolarHBondContact O-N 3.32Å
43Q97.1Very high96.1Very high135 Ų13567.5 Ų67.563%0.63138%0.378SS*.Hα-helixtrans-68.4-30.9-178.5-65.8-65.550.400113A39 I41 G45 G46 A47A39-Q43 WeakPolarHBondContact O-CB 3.39Å; A39-Q43 VanDerWaalsContact O-CG 3.23Å; A39-Q43 WeakPolarHBondContact O-CG 3.23Å; A39-Q43 PolarHBondContact O-N 3.04Å; I41-Q43 PolarHBondContact O-N 3.17Å; Q43-G45 VanDerWaalsContact C-N 3.34Å; Q43-G46 PolarHBondContact O-N 3.2Å; Q43-A47 WeakPolarHBondContact O-CB 3.39Å; Q43-A47 PolarHBondContact O-N 3.25Å
44A97Very high96.2Very high43 Ų4364.4 Ų64.436%0.35536%0.356SS..Hα-helixtrans-62.5-42.3172.400000111.7L27 F40 I41 A42L27-A44 HydrophobicContact CD1-CB 4.26Å; F40-A44 PolarHBondContact O-N 3.36Å; I41-A44 PolarHBondContact O-N 3.15Å; A42-A44 VanDerWaalsContact C-N 3.33Å; A42-A44 PolarHBondContact O-N 2.9Å
45G96.4Very high96.3Very high0 Ų061.5 Ų61.50%034%0.34CS..Hα-helixtrans-68.5-43.7173.900000112.8A24 I41 A42 Q43 A47 I48 F49A24-G45 WeakPolarHBondContact O-CA 3.49Å; I41-G45 PolarHBondContact O-N 2.94Å; A42-G45 PolarHBondContact O-N 3.46Å; Q43-G45 VanDerWaalsContact C-N 3.34Å; G45-A47 PolarHBondContact O-N 3.35Å; G45-I48 PolarHBondContact O-N 3.44Å; G45-F49 WeakPolarHBondContact O-CD2 3.47Å; G45-F49 PolarHBondContact O-N 3.16Å
46G95.7Very high96.4Very high8 Ų858.4 Ų58.48%0.08232%0.324CS..Hα-helixtrans-56.7-46.6176.900000112.6A42 Q43 I48 F49 D50A42-G46 PolarHBondContact O-N 3.32Å; Q43-G46 PolarHBondContact O-N 3.2Å; G46-I48 PolarHBondContact O-N 2.88Å; G46-I48 VanDerWaalsContact O-N 3.11Å; G46-F49 WeakPolarHBondContact O-CA 3.49Å; G46-F49 PolarHBondContact O-N 3.4Å; G46-D50 VanDerWaalsContact O-CG 3.23Å; G46-D50 PolarHBondContact O-N 2.96Å
47A97.4Very high96.5Very high47 Ų4753.4 Ų53.439%0.38830%0.297SS..Hα-helixtrans-57.5-32179.600000113.6Q43 G45 N51Q43-A47 WeakPolarHBondContact O-CB 3.39Å; Q43-A47 PolarHBondContact O-N 3.25Å; G45-A47 PolarHBondContact O-N 3.35Å; A47-N51 WeakPolarHBondContact O-CB 3.43Å; A47-N51 PolarHBondContact O-N 3.43Å; A47-N51 PolarHBondContact O-ND2 2.89Å
48I96Very high96.6Very high35 Ų3551.2 Ų51.218%0.17929%0.285CS..Hα-helixtrans-70.2-44.3175.5-62.6173000110.5V20 A24 G45 G46 N51 L52 I55V20-I48 HydrophobicContact CG1-CD1 4.4Å; V20-I48 HydrophobicContact CG1-CG2 3.69Å; A24-I48 HydrophobicContact CB-CB 3.8Å; A24-I48 HydrophobicContact CB-CD1 4.12Å; A24-I48 HydrophobicContact CB-CG2 3.57Å; G45-I48 PolarHBondContact O-N 3.44Å; G46-I48 PolarHBondContact O-N 2.88Å; G46-I48 VanDerWaalsContact O-N 3.11Å; I48-N51 CarbonylContact O-C 3.53Å; I48-N51 PolarHBondContact O-N 3.29Å; I48-L52 PolarHBondContact O-N 3.25Å; I48-L52 VanDerWaalsContact O-N 3.12Å; I48-I55 HydrophobicContact CB-CD1 4.47Å; I48-I55 HydrophobicContact CG2-CD1 3.62Å
49F93.2Very high96.6Very high72 Ų7248.8 Ų48.832%0.31627%0.271SS..Hα-helixtrans-65.7-41176.6-72.7-65000112.1L21 A24 A25 L28 G45 G46 N51 L52L21-F49 HydrophobicContact CD2-CE1 4.08Å; A24-F49 VanDerWaalsContact C-CE2 3.46Å; A24-F49 HydrophobicContact CB-CD2 4.08Å; A24-F49 HydrophobicContact CB-CE1 4.17Å; A24-F49 HydrophobicContact CB-CE2 3.64Å; A24-F49 HydrophobicContact CB-CZ 3.68Å; A24-F49 WeakPolarHBondContact O-CE2 3.29Å; A25-F49 HydrophobicContact CB-CZ 4.13Å; L28-F49 HydrophobicContact CB-CE2 4.14Å; L28-F49 HydrophobicContact CD2-CD2 3.8Å; L28-F49 HydrophobicContact CD2-CE2 3.77Å; G45-F49 WeakPolarHBondContact O-CD2 3.47Å; G45-F49 PolarHBondContact O-N 3.16Å; G46-F49 WeakPolarHBondContact O-CA 3.49Å; G46-F49 PolarHBondContact O-N 3.4Å; F49-N51 PolarHBondContact O-N 3.37Å; F49-L52 VanDerWaalsContact O-CB 3.22Å; F49-L52 WeakPolarHBondContact O-CB 3.42Å; F49-L52 PolarHBondContact O-N 3.24Å; F49-L52 VanDerWaalsContact O-N 3.13Å
50D93.6Very high96.6Very high128 Ų12845.4 Ų45.468%0.68424%0.243SC*.Hα-helixtrans-62.5-29.9178.7-65-22.2000112.2G46G46-D50 VanDerWaalsContact O-CG 3.23Å; G46-D50 PolarHBondContact O-N 2.96Å
51N96.1Very high96.7Very high79 Ų7937.3 Ų37.342%0.42221%0.207SC..THydrogen-bonded Turntrans-105.717.6179.4-67.8-84000113A47 I48 F49 A53 L54 I55A47-N51 WeakPolarHBondContact O-CB 3.43Å; A47-N51 PolarHBondContact O-N 3.43Å; A47-N51 PolarHBondContact O-ND2 2.89Å; I48-N51 CarbonylContact O-C 3.53Å; I48-N51 PolarHBondContact O-N 3.29Å; F49-N51 PolarHBondContact O-N 3.37Å; N51-A53 VanDerWaalsContact C-N 3.31Å; N51-A53 PolarHBondContact O-N 3.47Å; N51-L54 WeakPolarHBondContact O-CB 3.35Å; N51-L54 PolarHBondContact O-N 3.05Å; N51-I55 WeakPolarHBondContact O-CG1 3.28Å; N51-I55 PolarHBondContact O-N 3.24Å
52L94.8Very high96.7Very high18 Ų1835.9 Ų35.99%0.09420%0.201CC..Hα-helixtrans-60.4-40.3-171.6-170.364.1000112.5L21 I48 F49 L54 I55 F56 V98L21-L52 HydrophobicContact CD2-CD1 3.59Å; L21-L52 HydrophobicContact CD2-CD2 4.1Å; I48-L52 PolarHBondContact O-N 3.25Å; I48-L52 VanDerWaalsContact O-N 3.12Å; F49-L52 VanDerWaalsContact O-CB 3.22Å; F49-L52 WeakPolarHBondContact O-CB 3.42Å; F49-L52 PolarHBondContact O-N 3.24Å; F49-L52 VanDerWaalsContact O-N 3.13Å; L52-L54 VanDerWaalsContact C-N 3.32Å; L52-L54 PolarHBondContact O-N 3.21Å; L52-I55 WeakPolarHBondContact O-CB 3.46Å; L52-I55 PolarHBondContact O-N 3.39Å; L52-F56 HydrophobicContact CD1-CD2 4.01Å; L52-F56 HydrophobicContact CD1-CE2 3.83Å; L52-F56 HydrophobicContact CD2-CE2 4.29Å; L52-F56 HydrophobicContact CG-CD2 3.9Å; L52-F56 HydrophobicContact CG-CE2 3.87Å; L52-F56 WeakPolarHBondContact O-CD2 3.5Å; L52-F56 PolarHBondContact O-N 3.39Å; L52-V98 HydrophobicContact CB-CG2 4.47Å; L52-V98 HydrophobicContact CD2-CG2 3.89Å; L52-V98 HydrophobicContact CG-CG2 4.07Å
53A96.3Very high96.6Very high11 Ų1137.5 Ų37.59%0.09121%0.212CC..Hα-helixtrans-61.7-39.1177.100000112.4N51 F56 A57 Y80 G97 G101N51-A53 VanDerWaalsContact C-N 3.31Å; N51-A53 PolarHBondContact O-N 3.47Å; A53-F56 PolarHBondContact O-N 3.39Å; A53-A57 PolarHBondContact O-N 3.11Å; A53-Y80 HydrophobicContact CB-CE2 3.57Å; A53-G97 WeakPolarHBondContact CB-O 3.39Å; A53-G101 WeakPolarHBondContact O-CA 3.23Å
54L97.9Very high96.5Very high28 Ų2832 Ų3215%0.14719%0.186CC..Hα-helixtrans-66-41.9173.9174.461.9000111.4N51 L52 F56 A57 I58 A77 Y80 F81N51-L54 WeakPolarHBondContact O-CB 3.35Å; N51-L54 PolarHBondContact O-N 3.05Å; L52-L54 VanDerWaalsContact C-N 3.32Å; L52-L54 PolarHBondContact O-N 3.21Å; L54-F56 VanDerWaalsContact C-N 3.29Å; L54-F56 PolarHBondContact O-N 3.15Å; L54-A57 WeakPolarHBondContact O-CB 3.5Å; L54-A57 PolarHBondContact O-N 3.22Å; L54-A57 VanDerWaalsContact O-N 3.12Å; L54-I58 HydrophobicContact CD1-CD1 4.04Å; L54-I58 HydrophobicContact CD1-CG1 4.33Å; L54-I58 HydrophobicContact CG-CD1 4.03Å; L54-I58 WeakPolarHBondContact O-CG1 3.33Å; L54-I58 PolarHBondContact O-N 2.97Å; L54-A77 HydrophobicContact CD1-CB 3.85Å; L54-Y80 HydrophobicContact CB-CD1 3.97Å; L54-Y80 HydrophobicContact CB-CE1 3.82Å; L54-Y80 HydrophobicContact CD1-CD1 3.71Å; L54-Y80 HydrophobicContact CD1-CE1 4.36Å; L54-Y80 HydrophobicContact CD1-CG 4.27Å; L54-Y80 HydrophobicContact CG-CD1 4.39Å; L54-F81 HydrophobicContact CD1-CE1 4.01Å; L54-F81 HydrophobicContact CD1-CE2 4.46Å; L54-F81 HydrophobicContact CD1-CZ 3.82Å; L54-F81 HydrophobicContact CD2-CE1 4.01Å; L54-F81 HydrophobicContact CD2-CZ 3.83Å
55I97.5Very high96.4Very high38 Ų3830.2 Ų30.220%0.19517%0.171CC..Hα-helixtrans-60.6-41.6175.7-66.3171.1000110.5P17 V20 I48 N51 L52 I58 G59P17-I55 HydrophobicContact CB-CG2 4.34Å; V20-I55 HydrophobicContact CG2-CG2 4.32Å; I48-I55 HydrophobicContact CB-CD1 4.47Å; I48-I55 HydrophobicContact CG2-CD1 3.62Å; N51-I55 WeakPolarHBondContact O-CG1 3.28Å; N51-I55 PolarHBondContact O-N 3.24Å; L52-I55 WeakPolarHBondContact O-CB 3.46Å; L52-I55 PolarHBondContact O-N 3.39Å; I55-I58 PolarHBondContact O-N 3.23Å; I55-G59 PolarHBondContact O-N 2.8Å
56F97.7Very high96.2Very high17 Ų1736 Ų368%0.07520%0.196CC..Hα-helixtrans-63.2-41.5173.1-91.1-102.4000112L14 P17 I18 L52 A53 L54 I58 G59 V60 V98 I102L14-F56 HydrophobicContact CD2-CD1 3.74Å; L14-F56 HydrophobicContact CD2-CE1 3.72Å; P17-F56 HydrophobicContact CB-CB 4.43Å; P17-F56 HydrophobicContact CB-CD1 3.85Å; P17-F56 HydrophobicContact CB-CD2 3.58Å; P17-F56 HydrophobicContact CB-CE1 3.94Å; P17-F56 HydrophobicContact CB-CE2 3.7Å; P17-F56 HydrophobicContact CB-CG 3.69Å; P17-F56 HydrophobicContact CB-CZ 3.88Å; P17-F56 HydrophobicContact CG-CB 4.48Å; P17-F56 HydrophobicContact CG-CD1 4.03Å; P17-F56 HydrophobicContact CG-CD2 4.45Å; P17-F56 HydrophobicContact CG-CE1 4.4Å; P17-F56 HydrophobicContact CG-CG 4.07Å; I18-F56 HydrophobicContact CG1-CE1 4.44Å; I18-F56 HydrophobicContact CG1-CZ 3.95Å; L52-F56 HydrophobicContact CD1-CD2 4.01Å; L52-F56 HydrophobicContact CD1-CE2 3.83Å; L52-F56 HydrophobicContact CD2-CE2 4.29Å; L52-F56 HydrophobicContact CG-CD2 3.9Å; L52-F56 HydrophobicContact CG-CE2 3.87Å; L52-F56 WeakPolarHBondContact O-CD2 3.5Å; L52-F56 PolarHBondContact O-N 3.39Å; A53-F56 PolarHBondContact O-N 3.39Å; L54-F56 VanDerWaalsContact C-N 3.29Å; L54-F56 PolarHBondContact O-N 3.15Å; F56-I58 VanDerWaalsContact C-N 3.34Å; F56-I58 PolarHBondContact O-N 3.19Å; F56-G59 PolarHBondContact O-N 3.35Å; F56-V60 HydrophobicContact CD1-CG2 4.3Å; F56-V60 WeakPolarHBondContact O-CB 3.41Å; F56-V60 WeakPolarHBondContact O-CG2 3.44Å; F56-V60 PolarHBondContact O-N 3.26Å; F56-V98 HydrophobicContact CB-CG1 4.01Å; F56-V98 HydrophobicContact CD1-CG1 3.63Å; F56-V98 HydrophobicContact CD2-CG1 3.68Å; F56-V98 HydrophobicContact CE1-CG1 3.93Å; F56-V98 HydrophobicContact CE2-CG1 3.97Å; F56-V98 HydrophobicContact CG-CG1 3.49Å; F56-V98 VanDerWaalsContact CG-CG1 3.49Å; F56-V98 HydrophobicContact CZ-CG1 4.08Å; F56-I102 HydrophobicContact CD1-CD1 4.33Å; F56-I102 HydrophobicContact CD1-CG1 3.83Å
57A98.6Very high96.1Very high0 Ų039.3 Ų39.30%021%0.212CC..Hα-helixtrans-57.6-47.1175.400000112.2A53 L54 A61 Y80 G101 T104 G105A53-A57 PolarHBondContact O-N 3.11Å; L54-A57 WeakPolarHBondContact O-CB 3.5Å; L54-A57 PolarHBondContact O-N 3.22Å; L54-A57 VanDerWaalsContact O-N 3.12Å; A57-A61 WeakPolarHBondContact O-CB 3.49Å; A57-A61 PolarHBondContact O-N 3.42Å; A57-A61 VanDerWaalsContact O-N 3.08Å; A57-Y80 HydrophobicContact CB-CD2 4.46Å; A57-Y80 HydrophobicContact CB-CG 4.27Å; A57-G101 WeakPolarHBondContact CA-O 3.39Å; A57-T104 WeakPolarHBondContact CB-OG1 3.13Å; A57-G105 VanDerWaalsContact O-CA 3.24Å; A57-G105 WeakPolarHBondContact O-CA 3.24Å
58I98.3Very high95.8Very high65 Ų6540.9 Ų40.933%0.33322%0.219SC..Hα-helixtrans-66.7-51179.7-68.4168.2000111.2L54 I55 F56 A61 S62 A73 A77L54-I58 HydrophobicContact CD1-CD1 4.04Å; L54-I58 HydrophobicContact CD1-CG1 4.33Å; L54-I58 HydrophobicContact CG-CD1 4.03Å; L54-I58 WeakPolarHBondContact O-CG1 3.33Å; L54-I58 PolarHBondContact O-N 2.97Å; I55-I58 PolarHBondContact O-N 3.23Å; F56-I58 VanDerWaalsContact C-N 3.34Å; F56-I58 PolarHBondContact O-N 3.19Å; I58-A61 PolarHBondContact O-N 3.2Å; I58-S62 WeakPolarHBondContact O-CB 3.43Å; I58-S62 PolarHBondContact O-N 3.25Å; I58-S62 PolarHBondContact O-OG 2.96Å; I58-A73 HydrophobicContact CG2-CB 3.83Å; I58-A77 HydrophobicContact CD1-CB 4.22Å; I58-A77 HydrophobicContact CG1-CB 3.85Å
59G96.8Very high95.4Very high5 Ų539.9 Ų39.95%0.05222%0.216CC..Hα-helixtrans-71.1-38.5-174.900000112.8I55 F56 S62 S63I55-G59 PolarHBondContact O-N 2.8Å; F56-G59 PolarHBondContact O-N 3.35Å; G59-S62 WeakPolarHBondContact CA-OG 3.42Å; G59-S62 PolarHBondContact O-OG 2.93Å; G59-S63 VanDerWaalsContact O-CB 3.23Å; G59-S63 WeakPolarHBondContact O-CB 3.33Å; G59-S63 PolarHBondContact O-N 3.24Å
60V97.5Very high95.4Very high0 Ų039.2 Ų39.20%023%0.23CC..Hα-helixtrans-67.9-43.1174.2175.30000110.3A13 L14 P17 F56 S63 W64 L106A13-V60 HydrophobicContact CB-CG1 4.34Å; L14-V60 HydrophobicContact CD2-CG2 3.54Å; P17-V60 HydrophobicContact CG-CG2 4.24Å; F56-V60 HydrophobicContact CD1-CG2 4.3Å; F56-V60 WeakPolarHBondContact O-CB 3.41Å; F56-V60 WeakPolarHBondContact O-CG2 3.44Å; F56-V60 PolarHBondContact O-N 3.26Å; V60-S63 PolarHBondContact O-N 3.2Å; V60-W64 WeakPolarHBondContact O-CB 3.48Å; V60-W64 PolarHBondContact O-N 3.49Å; V60-L106 HydrophobicContact CG1-CD2 3.81Å; V60-L106 HydrophobicContact CG1-CG 3.89Å
61A98.3Very high95.5Very high0 Ų034.1 Ų34.10%021%0.206CC..Hα-helixtrans-63-45.7178.600000112.8A57 I58 W64 S65 A72 G105A57-A61 WeakPolarHBondContact O-CB 3.49Å; A57-A61 PolarHBondContact O-N 3.42Å; A57-A61 VanDerWaalsContact O-N 3.08Å; I58-A61 PolarHBondContact O-N 3.2Å; A61-W64 PolarHBondContact O-N 2.86Å; A61-S65 WeakPolarHBondContact O-CB 3.45Å; A61-S65 PolarHBondContact O-N 3.29Å; A61-A72 WeakPolarHBondContact CB-O 3.46Å; A61-G105 WeakPolarHBondContact CA-O 3.4Å; A61-G105 VanDerWaalsContact CB-O 3.32Å; A61-G105 WeakPolarHBondContact CB-O 3.35Å
62S96.6Very high95.6Very high13 Ų1330.4 Ų30.49%0.09119%0.186CC..Hα-helixtrans-62.4-48.9176.151.20000111.6I58 G59 W64 S65 S68I58-S62 WeakPolarHBondContact O-CB 3.43Å; I58-S62 PolarHBondContact O-N 3.25Å; I58-S62 PolarHBondContact O-OG 2.96Å; G59-S62 WeakPolarHBondContact CA-OG 3.42Å; G59-S62 PolarHBondContact O-OG 2.93Å; S62-W64 VanDerWaalsContact C-N 3.32Å; S62-W64 PolarHBondContact O-N 3Å; S62-S65 PolarHBondContact O-N 3.21Å; S62-S65 PolarHBondContact O-OG 3.29Å; S62-S68 VanDerWaalsContact O-CA 3.29Å; S62-S68 WeakPolarHBondContact O-CA 3.43Å; S62-S68 PolarHBondContact O-OG 2.85Å
63S94.7Very high95.7Very high45 Ų4530.3 Ų30.332%0.31519%0.188SC..Hα-helixtrans-70.4-26.8-179.2-166.40000113.6A13 G59 V60A13-S63 WeakPolarHBondContact CA-OG 3.46Å; G59-S63 VanDerWaalsContact O-CB 3.23Å; G59-S63 WeakPolarHBondContact O-CB 3.33Å; G59-S63 PolarHBondContact O-N 3.24Å; V60-S63 PolarHBondContact O-N 3.2Å
64W95.4Very high95.8Very high20 Ų2034.6 Ų34.68%0.07621%0.209CC..Hα-helixtrans-79.4-25.7176.4-165.2-104.4000113.4F6 R9 L10 A13 V60 A61 S62 L106 N113F6-W64 HydrophobicContact CD2-CH2 4.15Å; F6-W64 AromaticContact CE2-CH2 3.91Å; F6-W64 HydrophobicContact CE2-CH2 3.91Å; F6-W64 HydrophobicContact CE2-CZ2 4.18Å; R9-W64 HydrophobicContact CB-CH2 4.11Å; R9-W64 HydrophobicContact CB-CZ3 3.86Å; R9-W64 HydrophobicContact CG-CE3 4Å; R9-W64 HydrophobicContact CG-CH2 3.9Å; R9-W64 HydrophobicContact CG-CZ3 3.47Å; R9-W64 VanDerWaalsContact CG-CZ3 3.47Å; R9-W64 PolarHBondContact NH2-O 2.94Å; L10-W64 HydrophobicContact CB-CZ3 4.4Å; A13-W64 HydrophobicContact CB-CE3 3.75Å; A13-W64 HydrophobicContact CB-CZ3 4.38Å; V60-W64 WeakPolarHBondContact O-CB 3.48Å; V60-W64 PolarHBondContact O-N 3.49Å; A61-W64 PolarHBondContact O-N 2.86Å; S62-W64 VanDerWaalsContact C-N 3.32Å; S62-W64 PolarHBondContact O-N 3Å; W64-L106 HydrophobicContact CD2-CD2 3.5Å; W64-L106 HydrophobicContact CE3-CD2 3.56Å; W64-L106 HydrophobicContact CG-CD2 3.97Å; W64-L106 HydrophobicContact CH2-CD2 4.12Å; W64-L106 HydrophobicContact CZ2-CD2 4.08Å; W64-L106 HydrophobicContact CZ3-CD2 3.86Å; W64-N113 PolarHBondContact O-ND2 3.33Å
65S95.2Very high95.9Very high6 Ų633.3 Ų33.34%0.04220%0.202CC..SBendtrans-68.6147.8176.173.70000112.2A61 S62 D67 S68 A69 N113A61-S65 WeakPolarHBondContact O-CB 3.45Å; A61-S65 PolarHBondContact O-N 3.29Å; S62-S65 PolarHBondContact O-N 3.21Å; S62-S65 PolarHBondContact O-OG 3.29Å; S65-D67 PolarHBondContact O-N 3.38Å; S65-S68 WeakPolarHBondContact OG-CA 3.29Å; S65-S68 PolarHBondContact OG-N 3.45Å; S65-S68 VanDerWaalsContact OG-N 3.12Å; S65-A69 PolarHBondContact OG-N 3.12Å; S65-N113 WeakPolarHBondContact CA-OD1 3.49Å
66K93Very high95.9Very high122 Ų12231.5 Ų31.553%0.5319%0.192SC..THydrogen-bonded Turntrans-62.7-24.2-172.762.1-175.4179.4-176.30114.4Y112 N113 S116 D117K66-Y112 HydrophobicContact CG-CD1 4.47Å; K66-Y112 HydrophobicContact CG-CE1 4.09Å; K66-N113 WeakPolarHBondContact CB-OD1 3.5Å; K66-N113 PolarHBondContact N-OD1 2.86Å; K66-S116 WeakPolarHBondContact CE-OG 3.49Å; K66-S116 PolarHBondContact NZ-OG 2.91Å; K66-S116 VanDerWaalsContact NZ-OG 3.09Å; K66-D117 IonicContact NZ-OD2 3.19Å; K66-D117 PolarHBondContact NZ-OD2 3.42Å
67D92.8Very high96Very high77 Ų7731.1 Ų31.141%0.41219%0.192SC..THydrogen-bonded Turntrans-13413.9-174.866.3-15.6000113.2S65 A69 Y112 K130S65-D67 PolarHBondContact O-N 3.38Å; D67-A69 PolarHBondContact O-N 2.96Å; D67-A69 VanDerWaalsContact O-N 3.16Å; D67-A69 WeakPolarHBondContact OD1-CB 3.15Å; D67-A69 PolarHBondContact OD1-N 3.11Å; D67-Y112 WeakPolarHBondContact OD1-CE1 3.22Å; D67-Y112 PolarHBondContact OD1-OH 2.96Å; D67-Y112 PolarHBondContact OD2-OH 3.22Å; D67-K130 IonicContact OD2-NZ 2.83Å; D67-K130 PolarHBondContact OD2-NZ 3.11Å
68S90.5Very high96Very high79 Ų7933.2 Ų33.255%0.55221%0.205SC*.  trans52.435.5-179.8-58.60000115.2S62 S65S62-S68 VanDerWaalsContact O-CA 3.29Å; S62-S68 WeakPolarHBondContact O-CA 3.43Å; S62-S68 PolarHBondContact O-OG 2.85Å; S65-S68 WeakPolarHBondContact OG-CA 3.29Å; S65-S68 PolarHBondContact OG-N 3.45Å; S65-S68 VanDerWaalsContact OG-N 3.12Å
69A88.7Confident96Very high14 Ų1430.1 Ų30.112%0.11619%0.189CC..  trans-69.6144-176.500000113.6S65 D67 A71 A72 A73 Y112S65-A69 PolarHBondContact OG-N 3.12Å; D67-A69 PolarHBondContact O-N 2.96Å; D67-A69 VanDerWaalsContact O-N 3.16Å; D67-A69 WeakPolarHBondContact OD1-CB 3.15Å; D67-A69 PolarHBondContact OD1-N 3.11Å; A69-A71 PolarHBondContact O-N 2.93Å; A69-A71 VanDerWaalsContact O-N 3.13Å; A69-A72 WeakPolarHBondContact O-CB 3.42Å; A69-A72 PolarHBondContact O-N 3.37Å; A69-A73 PolarHBondContact O-N 3.19Å; A69-Y112 HydrophobicContact CB-CE1 4.31Å; A69-Y112 HydrophobicContact CB-CE2 3.63Å; A69-Y112 VanDerWaalsContact CB-CZ 3.44Å; A69-Y112 WeakPolarHBondContact CB-OH 3.28Å
70G93.6Very high96.1Very high58 Ų5832 Ų3260%0.59820%0.195SC*.Hα-helixtrans-57.3-27.717500000114.1A72 A73 L74G70-A72 VanDerWaalsContact C-N 3.31Å; G70-A72 PolarHBondContact O-N 3.32Å; G70-A73 WeakPolarHBondContact O-CB 3.4Å; G70-A73 PolarHBondContact O-N 3.12Å; G70-L74 PolarHBondContact O-N 3.05Å
71A95.2Very high96.2Very high22 Ų2236.8 Ų36.818%0.18222%0.216CC..Hα-helixtrans-65.3-32.9174.700000112.8A69 A75 Y112 K130A69-A71 PolarHBondContact O-N 2.93Å; A69-A71 VanDerWaalsContact O-N 3.13Å; A71-A75 VanDerWaalsContact O-CB 3.29Å; A71-A75 WeakPolarHBondContact O-CB 3.36Å; A71-A75 PolarHBondContact O-N 3.31Å; A71-Y112 HydrophobicContact CB-CD2 4.37Å; A71-Y112 HydrophobicContact CB-CE2 4.12Å; A71-K130 HydrophobicContact CB-CB 3.89Å
72A97.7Very high96.2Very high0 Ų038.9 Ų38.90%023%0.229CC..Hα-helixtrans-69.4-45.2173.500000110.9A61 A69 G70 L74 A75 G76 Y112A61-A72 WeakPolarHBondContact CB-O 3.46Å; A69-A72 WeakPolarHBondContact O-CB 3.42Å; A69-A72 PolarHBondContact O-N 3.37Å; G70-A72 VanDerWaalsContact C-N 3.31Å; G70-A72 PolarHBondContact O-N 3.32Å; A72-L74 PolarHBondContact O-N 3.13Å; A72-A75 WeakPolarHBondContact O-CB 3.32Å; A72-A75 PolarHBondContact O-N 3.43Å; A72-A75 VanDerWaalsContact O-N 3.12Å; A72-G76 PolarHBondContact O-N 3.47Å; A72-Y112 HydrophobicContact CB-CD2 3.86Å; A72-Y112 HydrophobicContact CB-CG 3.79Å
73A98.3Very high96.3Very high17 Ų1738.2 Ų38.214%0.1422%0.224CC..Hα-helixtrans-54.7-49.1173.400000112.1I58 A69 G70 A75 G76 A77I58-A73 HydrophobicContact CG2-CB 3.83Å; A69-A73 PolarHBondContact O-N 3.19Å; G70-A73 WeakPolarHBondContact O-CB 3.4Å; G70-A73 PolarHBondContact O-N 3.12Å; A73-A75 VanDerWaalsContact C-N 3.31Å; A73-A75 PolarHBondContact O-N 3.4Å; A73-G76 PolarHBondContact O-N 3.25Å; A73-A77 PolarHBondContact O-N 3.08Å; A73-A77 VanDerWaalsContact O-N 3.08Å
74L98.2Very high96.4Very high101 Ų10137.3 Ų37.353%0.52922%0.217SC..Hα-helixtrans-60.3-42175.6179.761.9000111.4G70 A72 G76 A77 V78 P134G70-L74 PolarHBondContact O-N 3.05Å; A72-L74 PolarHBondContact O-N 3.13Å; L74-G76 PolarHBondContact O-N 3.29Å; L74-A77 PolarHBondContact O-N 3.28Å; L74-V78 HydrophobicContact CD1-CG2 4.3Å; L74-V78 HydrophobicContact CG-CG2 4.43Å; L74-V78 WeakPolarHBondContact O-CG2 3.35Å; L74-V78 PolarHBondContact O-N 3.46Å; L74-P134 HydrophobicContact CD2-CG 4.08Å; L74-P134 HydrophobicContact CG-CG 4.16Å
75A98.6Very high96.5Very high0 Ų043.7 Ų43.70%025%0.245CC..Hα-helixtrans-61.9-42.3177.200000112.4A71 A72 A73 A77 V78 G79 V133 P134 T137A71-A75 VanDerWaalsContact O-CB 3.29Å; A71-A75 WeakPolarHBondContact O-CB 3.36Å; A71-A75 PolarHBondContact O-N 3.31Å; A72-A75 WeakPolarHBondContact O-CB 3.32Å; A72-A75 PolarHBondContact O-N 3.43Å; A72-A75 VanDerWaalsContact O-N 3.12Å; A73-A75 VanDerWaalsContact C-N 3.31Å; A73-A75 PolarHBondContact O-N 3.4Å; A75-A77 PolarHBondContact O-N 2.84Å; A75-V78 PolarHBondContact O-N 3.22Å; A75-G79 PolarHBondContact O-N 3.2Å; A75-V133 HydrophobicContact CB-CG1 3.72Å; A75-P134 HydrophobicContact CB-CB 4.31Å; A75-P134 HydrophobicContact CB-CG 4.17Å; A75-T137 HydrophobicContact CB-CG2 4.32Å; A75-T137 WeakPolarHBondContact O-CG2 3.46Å
76G98.7Very high96.6Very high0 Ų044.5 Ų44.50%025%0.252CS..Hα-helixtrans-57.6-47172.900000112.3A72 A73 L74 G79 Y80A72-G76 PolarHBondContact O-N 3.47Å; A73-G76 PolarHBondContact O-N 3.25Å; L74-G76 PolarHBondContact O-N 3.29Å; G76-G79 PolarHBondContact O-N 2.98Å; G76-Y80 WeakPolarHBondContact O-CB 3.37Å; G76-Y80 PolarHBondContact O-N 3.25Å
77A98.8Very high96.8Very high9 Ų938.9 Ų38.97%0.07423%0.228CC..Hα-helixtrans-61.5-46.6176.300000112.7L54 I58 A73 L74 A75 G79 Y80 F81L54-A77 HydrophobicContact CD1-CB 3.85Å; I58-A77 HydrophobicContact CD1-CB 4.22Å; I58-A77 HydrophobicContact CG1-CB 3.85Å; A73-A77 PolarHBondContact O-N 3.08Å; A73-A77 VanDerWaalsContact O-N 3.08Å; L74-A77 PolarHBondContact O-N 3.28Å; A75-A77 PolarHBondContact O-N 2.84Å; A77-G79 VanDerWaalsContact C-N 3.33Å; A77-G79 PolarHBondContact O-N 3.2Å; A77-Y80 WeakPolarHBondContact O-CB 3.36Å; A77-Y80 PolarHBondContact O-N 2.94Å; A77-F81 HydrophobicContact CB-CE2 4.34Å; A77-F81 WeakPolarHBondContact O-CD2 3.5Å; A77-F81 WeakPolarHBondContact O-CG 3.49Å; A77-F81 PolarHBondContact O-N 3.42Å
78V98.7Very high97Very high44 Ų4438.1 Ų38.127%0.26723%0.226SC..Hα-helixtrans-59.8-45.8176.41700000110.5L74 A75 Y80 F81 V82 P134L74-V78 HydrophobicContact CD1-CG2 4.3Å; L74-V78 HydrophobicContact CG-CG2 4.43Å; L74-V78 WeakPolarHBondContact O-CG2 3.35Å; L74-V78 PolarHBondContact O-N 3.46Å; A75-V78 PolarHBondContact O-N 3.22Å; V78-Y80 VanDerWaalsContact C-N 3.32Å; V78-Y80 PolarHBondContact O-N 3.42Å; V78-F81 PolarHBondContact O-N 2.99Å; V78-V82 HydrophobicContact CG1-CG2 4.41Å; V78-V82 WeakPolarHBondContact O-CG2 3.46Å; V78-V82 PolarHBondContact O-N 3.05Å; V78-P134 HydrophobicContact CB-CB 4.5Å; V78-P134 HydrophobicContact CG2-CB 4.22Å
79G98.9Very high97.2Very high0 Ų040 Ų400%024%0.235CC..Hα-helixtrans-58.6-43.1175.500000112.6A75 G76 A77 V82 L83 T104 C141A75-G79 PolarHBondContact O-N 3.2Å; G76-G79 PolarHBondContact O-N 2.98Å; A77-G79 VanDerWaalsContact C-N 3.33Å; A77-G79 PolarHBondContact O-N 3.2Å; G79-V82 PolarHBondContact O-N 2.86Å; G79-L83 WeakPolarHBondContact O-CB 3.44Å; G79-L83 PolarHBondContact O-N 2.89Å; G79-T104 WeakPolarHBondContact O-CG2 3.16Å; G79-C141 WeakPolarHBondContact CA-SG 3.42Å; G79-C141 WeakPolarHBondContact O-CB 3.33Å
80Y98.8Very high97.5Very high44 Ų4442.3 Ų42.317%0.17324%0.244CC..Hα-helixtrans-60.2-48.3175.7175.9-98.5000112.5A53 L54 A57 G76 A77 V78 L83 T84 A100A53-Y80 HydrophobicContact CB-CE2 3.57Å; L54-Y80 HydrophobicContact CB-CD1 3.97Å; L54-Y80 HydrophobicContact CB-CE1 3.82Å; L54-Y80 HydrophobicContact CD1-CD1 3.71Å; L54-Y80 HydrophobicContact CD1-CE1 4.36Å; L54-Y80 HydrophobicContact CD1-CG 4.27Å; L54-Y80 HydrophobicContact CG-CD1 4.39Å; A57-Y80 HydrophobicContact CB-CD2 4.46Å; A57-Y80 HydrophobicContact CB-CG 4.27Å; G76-Y80 WeakPolarHBondContact O-CB 3.37Å; G76-Y80 PolarHBondContact O-N 3.25Å; A77-Y80 WeakPolarHBondContact O-CB 3.36Å; A77-Y80 PolarHBondContact O-N 2.94Å; V78-Y80 VanDerWaalsContact C-N 3.32Å; V78-Y80 PolarHBondContact O-N 3.42Å; Y80-L83 PolarHBondContact O-N 2.84Å; Y80-T84 HydrophobicContact CD2-CG2 3.87Å; Y80-T84 HydrophobicContact CE1-CG2 4.42Å; Y80-T84 HydrophobicContact CE2-CG2 3.51Å; Y80-T84 HydrophobicContact CG-CG2 4.46Å; Y80-T84 WeakPolarHBondContact O-CB 3.37Å; Y80-T84 WeakPolarHBondContact O-CG2 3.45Å; Y80-T84 PolarHBondContact O-N 3.4Å; Y80-T84 PolarHBondContact O-OG1 3.24Å; Y80-A100 HydrophobicContact CD2-CB 4.43Å; Y80-A100 HydrophobicContact CE2-CB 4.3Å
81F98.7Very high97.5Very high102 Ų10241.7 Ų41.745%0.44723%0.227SC..Hα-helixtrans-63.6-45.2178.8-63.1-42.6000112.1L54 A77 V78 K85L54-F81 HydrophobicContact CD1-CE1 4.01Å; L54-F81 HydrophobicContact CD1-CE2 4.46Å; L54-F81 HydrophobicContact CD1-CZ 3.82Å; L54-F81 HydrophobicContact CD2-CE1 4.01Å; L54-F81 HydrophobicContact CD2-CZ 3.83Å; A77-F81 HydrophobicContact CB-CE2 4.34Å; A77-F81 WeakPolarHBondContact O-CD2 3.5Å; A77-F81 WeakPolarHBondContact O-CG 3.49Å; A77-F81 PolarHBondContact O-N 3.42Å; V78-F81 PolarHBondContact O-N 2.99Å; F81-K85 VanDerWaalsContact O-CB 3.25Å; F81-K85 WeakPolarHBondContact O-CB 3.35Å; F81-K85 WeakPolarHBondContact O-CG 3.44Å; F81-K85 PolarHBondContact O-N 3.18Å
82V98.7Very high97.4Very high43 Ų4345.7 Ų45.726%0.26125%0.251SS..Hα-helixtrans-62.6-49177.7174.80000110.7V78 G79 A86 G138 C141 L142V78-V82 HydrophobicContact CG1-CG2 4.41Å; V78-V82 WeakPolarHBondContact O-CG2 3.46Å; V78-V82 PolarHBondContact O-N 3.05Å; G79-V82 PolarHBondContact O-N 2.86Å; V82-A86 WeakPolarHBondContact O-CB 3.3Å; V82-A86 PolarHBondContact O-N 3.4Å; V82-A86 VanDerWaalsContact O-N 3.07Å; V82-G138 WeakPolarHBondContact CG1-O 3.19Å; V82-C141 HydrophobicContact CB-CB 4.37Å; V82-C141 HydrophobicContact CG1-CB 4.4Å; V82-L142 HydrophobicContact CG1-CB 3.78Å; V82-L142 HydrophobicContact CG1-CD1 4.25Å
83L98.6Very high97Very high0 Ų053 Ų530%029%0.285CS..Hα-helixtrans-58.5-56.6-178.8-17773.5000110.7G79 Y80 M87 M96 A100 T104 C141 L144 A145 F148G79-L83 WeakPolarHBondContact O-CB 3.44Å; G79-L83 PolarHBondContact O-N 2.89Å; Y80-L83 PolarHBondContact O-N 2.84Å; L83-M87 HydrophobicContact CD1-CE 4.48Å; L83-M87 HydrophobicContact CD1-SD 4.19Å; L83-M87 HydrophobicContact CD2-CE 4.32Å; L83-M87 HydrophobicContact CG-CE 3.85Å; L83-M87 HydrophobicContact CG-SD 4.2Å; L83-M87 VanDerWaalsContact O-CG 3.25Å; L83-M87 WeakPolarHBondContact O-CG 3.42Å; L83-M87 PolarHBondContact O-N 3.26Å; L83-M87 VanDerWaalsContact O-N 3.09Å; L83-M96 HydrophobicContact CD2-SD 4.36Å; L83-A100 HydrophobicContact CD2-CB 3.94Å; L83-T104 HydrophobicContact CB-CG2 3.69Å; L83-T104 HydrophobicContact CD2-CG2 3.39Å; L83-T104 HydrophobicContact CG-CG2 4.11Å; L83-C141 HydrophobicContact CB-CB 4.33Å; L83-L144 HydrophobicContact CD1-CB 3.75Å; L83-A145 HydrophobicContact CD1-CB 4.04Å; L83-F148 HydrophobicContact CD1-CD2 4.3Å
84T97.2Very high96.7Very high25 Ų2552.9 Ų52.915%0.15328%0.282CS..Hα-helixtrans-67.8-43.9-172.955.20000112.6Y80 V88 A100Y80-T84 HydrophobicContact CD2-CG2 3.87Å; Y80-T84 HydrophobicContact CE1-CG2 4.42Å; Y80-T84 HydrophobicContact CE2-CG2 3.51Å; Y80-T84 HydrophobicContact CG-CG2 4.46Å; Y80-T84 WeakPolarHBondContact O-CB 3.37Å; Y80-T84 WeakPolarHBondContact O-CG2 3.45Å; Y80-T84 PolarHBondContact O-N 3.4Å; Y80-T84 PolarHBondContact O-OG1 3.24Å; T84-V88 WeakPolarHBondContact O-CG2 3.48Å; T84-V88 PolarHBondContact O-N 2.98Å; T84-A100 HydrophobicContact CG2-CB 4.09Å
85K97.3Very high96.4Very high154 Ų15452.3 Ų52.367%0.6728%0.28SS*.Hα-helixtrans-73.2-33.5-177.9-63.6-60.5-177-177.80113F81F81-K85 VanDerWaalsContact O-CB 3.25Å; F81-K85 WeakPolarHBondContact O-CB 3.35Å; F81-K85 WeakPolarHBondContact O-CG 3.44Å; F81-K85 PolarHBondContact O-N 3.18Å
86A98.2Very high96.1Very high24 Ų2452.5 Ų52.520%0.19828%0.281CS..Hα-helixtrans-74-33175.200000112.7V82 V88 T89 L142 A145V82-A86 WeakPolarHBondContact O-CB 3.3Å; V82-A86 PolarHBondContact O-N 3.4Å; V82-A86 VanDerWaalsContact O-N 3.07Å; A86-V88 PolarHBondContact O-N 3.03Å; A86-T89 PolarHBondContact O-N 3.35Å; A86-T89 PolarHBondContact O-OG1 3.13Å; A86-L142 HydrophobicContact CB-CD1 4.14Å; A86-A145 HydrophobicContact CB-CB 3.59Å
87M97.3Very high95.7Very high4 Ų453.4 Ų53.42%0.0229%0.29CS..Hα-helixtrans-64.9-39.8175.3-74.8-175.5-50.600112.5L83 T89 I90 N91 I94 M96 A145 F148L83-M87 HydrophobicContact CD1-CE 4.48Å; L83-M87 HydrophobicContact CD1-SD 4.19Å; L83-M87 HydrophobicContact CD2-CE 4.32Å; L83-M87 HydrophobicContact CG-CE 3.85Å; L83-M87 HydrophobicContact CG-SD 4.2Å; L83-M87 VanDerWaalsContact O-CG 3.25Å; L83-M87 WeakPolarHBondContact O-CG 3.42Å; L83-M87 PolarHBondContact O-N 3.26Å; L83-M87 VanDerWaalsContact O-N 3.09Å; M87-T89 PolarHBondContact O-N 3.34Å; M87-I90 WeakPolarHBondContact O-CB 3.4Å; M87-I90 PolarHBondContact O-N 3.37Å; M87-N91 PolarHBondContact O-N 2.87Å; M87-N91 VanDerWaalsContact O-N 3.1Å; M87-I94 HydrophobicContact CB-CD1 4.16Å; M87-I94 HydrophobicContact CB-CG2 4Å; M87-I94 HydrophobicContact CE-CG2 4.02Å; M87-I94 HydrophobicContact SD-CG2 4.13Å; M87-M96 HydrophobicContact CE-CG 4.12Å; M87-M96 HydrophobicContact CE-SD 3.57Å; M87-M96 VanDerWaalsContact CE-SD 3.57Å; M87-M96 HydrophobicContact SD-SD 3.68Å; M87-M96 VanDerWaalsContact SD-SD 3.68Å; M87-A145 HydrophobicContact CG-CB 4.04Å; M87-F148 HydrophobicContact SD-CB 3.47Å; M87-F148 WeakPolarHBondContact SD-CB 3.42Å
88V95.5Very high95.5Very high60 Ų6053.4 Ų53.436%0.36429%0.289SS..Hα-helixtrans-62-24.6-179.5169.50000112.4T84 A86 I90 N91T84-V88 WeakPolarHBondContact O-CG2 3.48Å; T84-V88 PolarHBondContact O-N 2.98Å; A86-V88 PolarHBondContact O-N 3.03Å; V88-I90 VanDerWaalsContact C-N 3.28Å; V88-I90 PolarHBondContact O-N 3.3Å; V88-N91 WeakPolarHBondContact CA-O 3.22Å; V88-N91 CarbonylContact O-C 3.37Å
89T96.2Very high95.3Very high120 Ų12052.8 Ų52.874%0.73628%0.284SS*.THydrogen-bonded Turntrans-74.2-19.3174.165.80000113.4A86 M87A86-T89 PolarHBondContact O-N 3.35Å; A86-T89 PolarHBondContact O-OG1 3.13Å; M87-T89 PolarHBondContact O-N 3.34Å
90I95.2Very high95.2Very high62 Ų6252.9 Ų52.932%0.31829%0.285SS..THydrogen-bonded Turntrans-88-46.5176-63.1168.4000109.7M87 V88 Y150M87-I90 WeakPolarHBondContact O-CB 3.4Å; M87-I90 PolarHBondContact O-N 3.37Å; V88-I90 VanDerWaalsContact C-N 3.28Å; V88-I90 PolarHBondContact O-N 3.3Å; I90-Y150 HydrophobicContact CD1-CE2 4.25Å; I90-Y150 HydrophobicContact CG2-CD1 4.16Å; I90-Y150 HydrophobicContact CG2-CE1 3.79Å
91N92.8Very high95.1Very high45 Ų4550.8 Ų50.824%0.24128%0.277CS..  trans-144.9117.5172.5173.8-18.6000109.5M87 V88 E93 I94 P153M87-N91 PolarHBondContact O-N 2.87Å; M87-N91 VanDerWaalsContact O-N 3.1Å; V88-N91 WeakPolarHBondContact CA-O 3.22Å; V88-N91 CarbonylContact O-C 3.37Å; N91-E93 PolarHBondContact O-N 3.12Å; N91-E93 VanDerWaalsContact O-N 3.17Å; N91-E93 WeakPolarHBondContact OD1-CB 3.41Å; N91-E93 PolarHBondContact OD1-N 3.33Å; N91-I94 HydrophobicContact CB-CD1 3.72Å; N91-I94 HydrophobicContact CB-CG1 3.76Å; N91-I94 WeakPolarHBondContact O-CB 3.39Å; N91-I94 WeakPolarHBondContact O-CG1 3.47Å; N91-I94 PolarHBondContact O-N 2.86Å; N91-P153 HydrophobicContact CB-CG 4.43Å
92P93.3Very high95Very high106 Ų10646.5 Ų46.569%0.68826%0.258SS*.THydrogen-bonded Turntrans-61.3-21.8-177.8-25.735.2000115.5
93E89.3Confident95Very high153 Ų15346 Ų4672%0.71525%0.254SS*.THydrogen-bonded Turntrans-87.9-6.4-177.2-57.4179.5170.500112.6N91 N95 Q156N91-E93 PolarHBondContact O-N 3.12Å; N91-E93 VanDerWaalsContact O-N 3.17Å; N91-E93 WeakPolarHBondContact OD1-CB 3.41Å; N91-E93 PolarHBondContact OD1-N 3.33Å; E93-N95 PolarHBondContact O-N 3.38Å; E93-Q156 PolarHBondContact O-NE2 3.49Å
94I92.8Very high95Very high15 Ų1546 Ų468%0.07725%0.254CS..  trans-60.3123.7-179.5-72.4173.4000110.9M87 N91 G149 P153M87-I94 HydrophobicContact CB-CD1 4.16Å; M87-I94 HydrophobicContact CB-CG2 4Å; M87-I94 HydrophobicContact CE-CG2 4.02Å; M87-I94 HydrophobicContact SD-CG2 4.13Å; N91-I94 HydrophobicContact CB-CD1 3.72Å; N91-I94 HydrophobicContact CB-CG1 3.76Å; N91-I94 WeakPolarHBondContact O-CB 3.39Å; N91-I94 WeakPolarHBondContact O-CG1 3.47Å; N91-I94 PolarHBondContact O-N 2.86Å; I94-G149 WeakPolarHBondContact CD1-O 3.46Å; I94-P153 HydrophobicContact CD1-CG 3.7Å; I94-P153 HydrophobicContact CG1-CG 3.8Å
95N90.2Very high95Very high89 Ų8944.8 Ų44.848%0.47625%0.246SC..  trans-142.3109.1172.5-172.3-3.3000110.8E93 G97 W152 Q156E93-N95 PolarHBondContact O-N 3.38Å; N95-G97 WeakPolarHBondContact OD1-CA 3.45Å; N95-G97 PolarHBondContact OD1-N 3.27Å; N95-W152 PolarHBondContact O-NE1 2.86Å; N95-Q156 PolarHBondContact O-OE1 3.38Å
96M92.1Very high95Very high4 Ų439.1 Ų39.12%0.0222%0.223CC..  trans-87.9-8.1173.9-62.3-179.473.200112.8L83 M87 L99 A100 I103 F148 W152L83-M96 HydrophobicContact CD2-SD 4.36Å; M87-M96 HydrophobicContact CE-CG 4.12Å; M87-M96 HydrophobicContact CE-SD 3.57Å; M87-M96 VanDerWaalsContact CE-SD 3.57Å; M87-M96 HydrophobicContact SD-SD 3.68Å; M87-M96 VanDerWaalsContact SD-SD 3.68Å; M96-L99 HydrophobicContact CE-CD2 4.08Å; M96-L99 HydrophobicContact CE-CG 4.23Å; M96-L99 VanDerWaalsContact O-CB 3.3Å; M96-L99 WeakPolarHBondContact O-CB 3.4Å; M96-L99 PolarHBondContact O-N 3Å; M96-A100 HydrophobicContact CB-CB 3.74Å; M96-A100 HydrophobicContact CG-CB 4.48Å; M96-A100 HydrophobicContact SD-CB 4.17Å; M96-I103 HydrophobicContact CE-CD1 3.62Å; M96-F148 HydrophobicContact CE-CD1 3.74Å; M96-F148 HydrophobicContact CE-CD2 4.34Å; M96-F148 HydrophobicContact CE-CE1 3.91Å; M96-F148 HydrophobicContact CE-CE2 4.49Å; M96-F148 HydrophobicContact CE-CG 3.98Å; M96-F148 HydrophobicContact CE-CZ 4.3Å; M96-F148 HydrophobicContact SD-CB 4.15Å; M96-F148 HydrophobicContact SD-CD1 4.37Å; M96-F148 HydrophobicContact SD-CG 4.16Å; M96-W152 HydrophobicContact CB-CZ2 4.35Å; M96-W152 HydrophobicContact CE-CD2 4.33Å; M96-W152 HydrophobicContact CE-CE3 4.14Å; M96-W152 HydrophobicContact CG-CD2 3.67Å; M96-W152 HydrophobicContact CG-CE3 4.38Å; M96-W152 HydrophobicContact CG-CG 3.71Å; M96-W152 HydrophobicContact CG-CZ2 4.3Å; M96-W152 HydrophobicContact SD-CG 4.49Å
97G91.2Very high95.1Very high18 Ų1839.4 Ų39.419%0.18622%0.222CC..THydrogen-bonded Turntrans54.3-138.8-172.900000112.6A53 N95 L99 A100A53-G97 WeakPolarHBondContact CB-O 3.39Å; N95-G97 WeakPolarHBondContact OD1-CA 3.45Å; N95-G97 PolarHBondContact OD1-N 3.27Å; G97-L99 PolarHBondContact O-N 2.93Å; G97-L99 VanDerWaalsContact O-N 3.16Å; G97-A100 PolarHBondContact O-N 2.82Å
98V94.2Very high95.1Very high10 Ų1039.2 Ų39.26%0.06122%0.221CC..Hα-helixtrans-61.2-23.9-179.5176.30000112.6L52 F56 A100 G101 I102L52-V98 HydrophobicContact CB-CG2 4.47Å; L52-V98 HydrophobicContact CD2-CG2 3.89Å; L52-V98 HydrophobicContact CG-CG2 4.07Å; F56-V98 HydrophobicContact CB-CG1 4.01Å; F56-V98 HydrophobicContact CD1-CG1 3.63Å; F56-V98 HydrophobicContact CD2-CG1 3.68Å; F56-V98 HydrophobicContact CE1-CG1 3.93Å; F56-V98 HydrophobicContact CE2-CG1 3.97Å; F56-V98 HydrophobicContact CG-CG1 3.49Å; F56-V98 VanDerWaalsContact CG-CG1 3.49Å; F56-V98 HydrophobicContact CZ-CG1 4.08Å; V98-A100 VanDerWaalsContact C-N 3.33Å; V98-A100 PolarHBondContact O-N 3.02Å; V98-G101 WeakPolarHBondContact O-CA 3.04Å; V98-G101 PolarHBondContact O-N 3.16Å; V98-I102 HydrophobicContact CG1-CD1 4.1Å; V98-I102 HydrophobicContact CG1-CG1 4.16Å; V98-I102 PolarHBondContact O-N 3.23Å
99L94.8Very high95.2Very high31 Ų3136.3 Ų36.316%0.16220%0.204CC..Hα-helixtrans-61.5-39.4178.9-177.865.1000112.2M96 G97 G101 I102 I103 W152 L189M96-L99 HydrophobicContact CE-CD2 4.08Å; M96-L99 HydrophobicContact CE-CG 4.23Å; M96-L99 VanDerWaalsContact O-CB 3.3Å; M96-L99 WeakPolarHBondContact O-CB 3.4Å; M96-L99 PolarHBondContact O-N 3Å; G97-L99 PolarHBondContact O-N 2.93Å; G97-L99 VanDerWaalsContact O-N 3.16Å; L99-G101 PolarHBondContact O-N 3Å; L99-I102 PolarHBondContact O-N 3.22Å; L99-I103 HydrophobicContact CD1-CD1 4.09Å; L99-I103 HydrophobicContact CD1-CG1 4.25Å; L99-I103 HydrophobicContact CD2-CD1 4.34Å; L99-I103 HydrophobicContact CG-CD1 3.8Å; L99-I103 HydrophobicContact CG-CG1 4.37Å; L99-I103 VanDerWaalsContact O-CG1 3.32Å; L99-I103 WeakPolarHBondContact O-CG1 3.48Å; L99-I103 PolarHBondContact O-N 2.77Å; L99-W152 HydrophobicContact CD2-CH2 3.65Å; L99-W152 HydrophobicContact CD2-CZ3 3.65Å; L99-L189 HydrophobicContact CB-CD2 3.9Å; L99-L189 HydrophobicContact CB-CG 4.45Å; L99-L189 HydrophobicContact CD2-CD1 4.27Å; L99-L189 HydrophobicContact CD2-CD2 3.9Å; L99-L189 HydrophobicContact CD2-CG 4.34Å
100A96.7Very high95.3Very high2 Ų232.8 Ų32.82%0.01719%0.187CC..Hα-helixtrans-59.6-39.3173.300000111.3Y80 L83 T84 M96 G97 V98 T104Y80-A100 HydrophobicContact CD2-CB 4.43Å; Y80-A100 HydrophobicContact CE2-CB 4.3Å; L83-A100 HydrophobicContact CD2-CB 3.94Å; T84-A100 HydrophobicContact CG2-CB 4.09Å; M96-A100 HydrophobicContact CB-CB 3.74Å; M96-A100 HydrophobicContact CG-CB 4.48Å; M96-A100 HydrophobicContact SD-CB 4.17Å; G97-A100 PolarHBondContact O-N 2.82Å; V98-A100 VanDerWaalsContact C-N 3.33Å; V98-A100 PolarHBondContact O-N 3.02Å; A100-T104 WeakPolarHBondContact O-CB 3.41Å; A100-T104 WeakPolarHBondContact O-CG2 3.37Å; A100-T104 PolarHBondContact O-N 3.2Å; A100-T104 PolarHBondContact O-OG1 2.94Å
101G97.4Very high95.4Very high0 Ų030 Ų300%017%0.173CC..Hα-helixtrans-60.8-51.1173.700000112.6A53 A57 V98 L99 I103 T104 G105A53-G101 WeakPolarHBondContact O-CA 3.23Å; A57-G101 WeakPolarHBondContact CA-O 3.39Å; V98-G101 WeakPolarHBondContact O-CA 3.04Å; V98-G101 PolarHBondContact O-N 3.16Å; L99-G101 PolarHBondContact O-N 3Å; G101-I103 PolarHBondContact O-N 3.02Å; G101-T104 PolarHBondContact O-N 3.37Å; G101-T104 PolarHBondContact O-OG1 3.11Å; G101-G105 PolarHBondContact O-N 3.27Å
102I96.6Very high95.7Very high12 Ų1227.9 Ų27.96%0.06216%0.161CC..Hα-helixtrans-59.1-47.8179.2-63.8172.6000110.9L10 L14 F56 V98 L99 G105 L106L10-I102 HydrophobicContact CD1-CG2 4.31Å; L14-I102 HydrophobicContact CD2-CD1 3.87Å; L14-I102 HydrophobicContact CD2-CG1 3.74Å; L14-I102 HydrophobicContact CD2-CG2 4.36Å; F56-I102 HydrophobicContact CD1-CD1 4.33Å; F56-I102 HydrophobicContact CD1-CG1 3.83Å; V98-I102 HydrophobicContact CG1-CD1 4.1Å; V98-I102 HydrophobicContact CG1-CG1 4.16Å; V98-I102 PolarHBondContact O-N 3.23Å; L99-I102 PolarHBondContact O-N 3.22Å; I102-G105 PolarHBondContact O-N 2.95Å; I102-L106 HydrophobicContact CG2-CD1 4.1Å; I102-L106 HydrophobicContact CG2-CG 4.48Å; I102-L106 VanDerWaalsContact O-CG 3.28Å; I102-L106 WeakPolarHBondContact O-CG 3.21Å; I102-L106 PolarHBondContact O-N 3.21Å
103I97.5Very high95.9Very high32 Ų3225 Ų2516%0.16414%0.14CC..Hα-helixtrans-61.5-52.1-178.8-69.3168.3000110.7M96 L99 G101 G105 L106 V107 L144 F148M96-I103 HydrophobicContact CE-CD1 3.62Å; L99-I103 HydrophobicContact CD1-CD1 4.09Å; L99-I103 HydrophobicContact CD1-CG1 4.25Å; L99-I103 HydrophobicContact CD2-CD1 4.34Å; L99-I103 HydrophobicContact CG-CD1 3.8Å; L99-I103 HydrophobicContact CG-CG1 4.37Å; L99-I103 VanDerWaalsContact O-CG1 3.32Å; L99-I103 WeakPolarHBondContact O-CG1 3.48Å; L99-I103 PolarHBondContact O-N 2.77Å; G101-I103 PolarHBondContact O-N 3.02Å; I103-G105 VanDerWaalsContact C-N 3.29Å; I103-G105 PolarHBondContact O-N 3.44Å; I103-L106 PolarHBondContact O-N 3.2Å; I103-V107 VanDerWaalsContact O-CG2 3.32Å; I103-V107 WeakPolarHBondContact O-CG2 3.21Å; I103-V107 PolarHBondContact O-N 3.32Å; I103-L144 HydrophobicContact CG2-CD1 4.08Å; I103-F148 HydrophobicContact CD1-CE1 4.34Å; I103-F148 HydrophobicContact CD1-CE2 4Å; I103-F148 HydrophobicContact CD1-CZ 3.69Å; I103-F148 HydrophobicContact CG2-CE2 4.25Å
104T98.7Very high96.2Very high0 Ų026.9 Ų26.90%014%0.141CC..Hα-helixtrans-67.1-33.8-177.454.70000111.8A57 G79 L83 A100 G101 V107 G108A57-T104 WeakPolarHBondContact CB-OG1 3.13Å; G79-T104 WeakPolarHBondContact O-CG2 3.16Å; L83-T104 HydrophobicContact CB-CG2 3.69Å; L83-T104 HydrophobicContact CD2-CG2 3.39Å; L83-T104 HydrophobicContact CG-CG2 4.11Å; A100-T104 WeakPolarHBondContact O-CB 3.41Å; A100-T104 WeakPolarHBondContact O-CG2 3.37Å; A100-T104 PolarHBondContact O-N 3.2Å; A100-T104 PolarHBondContact O-OG1 2.94Å; G101-T104 PolarHBondContact O-N 3.37Å; G101-T104 PolarHBondContact O-OG1 3.11Å; T104-V107 PolarHBondContact O-N 2.81Å; T104-G108 PolarHBondContact O-N 3.39Å
105G98.3Very high96.4Very high0 Ų029.5 Ų29.50%015%0.15CC..Hα-helixtrans-61.4-48170.900000112.6A57 A61 G101 I102 I103 V107 G108 G109A57-G105 VanDerWaalsContact O-CA 3.24Å; A57-G105 WeakPolarHBondContact O-CA 3.24Å; A61-G105 WeakPolarHBondContact CA-O 3.4Å; A61-G105 VanDerWaalsContact CB-O 3.32Å; A61-G105 WeakPolarHBondContact CB-O 3.35Å; G101-G105 PolarHBondContact O-N 3.27Å; I102-G105 PolarHBondContact O-N 2.95Å; I103-G105 VanDerWaalsContact C-N 3.29Å; I103-G105 PolarHBondContact O-N 3.44Å; G105-V107 VanDerWaalsContact C-N 3.34Å; G105-V107 PolarHBondContact O-N 3.37Å; G105-G108 PolarHBondContact O-N 3.04Å; G105-G109 PolarHBondContact O-N 3.36Å
106L97.6Very high96.7Very high34 Ų3425.4 Ų25.418%0.17813%0.128CC..Hα-helixtrans-62.2-41176.5-70.7173.9000112.1L10 V60 W64 I102 I103 A110L10-L106 HydrophobicContact CD1-CD1 3.88Å; L10-L106 HydrophobicContact CD1-CD2 3.88Å; L10-L106 HydrophobicContact CD1-CG 4.29Å; V60-L106 HydrophobicContact CG1-CD2 3.81Å; V60-L106 HydrophobicContact CG1-CG 3.89Å; W64-L106 HydrophobicContact CD2-CD2 3.5Å; W64-L106 HydrophobicContact CE3-CD2 3.56Å; W64-L106 HydrophobicContact CG-CD2 3.97Å; W64-L106 HydrophobicContact CH2-CD2 4.12Å; W64-L106 HydrophobicContact CZ2-CD2 4.08Å; W64-L106 HydrophobicContact CZ3-CD2 3.86Å; I102-L106 HydrophobicContact CG2-CD1 4.1Å; I102-L106 HydrophobicContact CG2-CG 4.48Å; I102-L106 VanDerWaalsContact O-CG 3.28Å; I102-L106 WeakPolarHBondContact O-CG 3.21Å; I102-L106 PolarHBondContact O-N 3.21Å; I103-L106 PolarHBondContact O-N 3.2Å; L106-A110 WeakPolarHBondContact O-CB 3.47Å; L106-A110 PolarHBondContact O-N 3.01Å
107V98.6Very high96.8Very high30 Ų3030.6 Ų30.618%0.18216%0.156CC..Hα-helixtrans-62.9-47.9175.31770000110.5I103 T104 G105 G109 A110 A111 T137 F140 L144I103-V107 VanDerWaalsContact O-CG2 3.32Å; I103-V107 WeakPolarHBondContact O-CG2 3.21Å; I103-V107 PolarHBondContact O-N 3.32Å; T104-V107 PolarHBondContact O-N 2.81Å; G105-V107 VanDerWaalsContact C-N 3.34Å; G105-V107 PolarHBondContact O-N 3.37Å; V107-G109 PolarHBondContact O-N 2.86Å; V107-A110 PolarHBondContact O-N 3.47Å; V107-A111 VanDerWaalsContact O-CB 3.27Å; V107-A111 WeakPolarHBondContact O-CB 3.35Å; V107-A111 PolarHBondContact O-N 3.48Å; V107-T137 HydrophobicContact CG1-CG2 4.13Å; V107-F140 HydrophobicContact CG1-CB 3.85Å; V107-L144 HydrophobicContact CG2-CD1 3.69Å
108G98.6Very high97Very high0 Ų031.8 Ų31.80%016%0.157CC..Hα-helixtrans-61-45.3178.700000113T104 G105 A111 Y112T104-G108 PolarHBondContact O-N 3.39Å; G105-G108 PolarHBondContact O-N 3.04Å; G108-A111 PolarHBondContact O-N 2.98Å; G108-Y112 WeakPolarHBondContact O-CB 3.39Å; G108-Y112 PolarHBondContact O-N 3Å
109G98Very high97Very high0 Ų040.8 Ų40.80%020%0.196CC..Hα-helixtrans-66.6-37.4175.400000113G105 V107 Y112 N113G105-G109 PolarHBondContact O-N 3.36Å; V107-G109 PolarHBondContact O-N 2.86Å; G109-Y112 PolarHBondContact O-N 3.12Å; G109-N113 PolarHBondContact O-N 2.98Å; G109-N113 PolarHBondContact O-ND2 3.08Å; G109-N113 VanDerWaalsContact O-ND2 3.15Å
110A97.2Very high96.9Very high46 Ų4641.2 Ų41.238%0.3820%0.198SC..Hα-helixtrans-68.6-43.5176.400000111.7L106 V107 Y112 N113 R114L106-A110 WeakPolarHBondContact O-CB 3.47Å; L106-A110 PolarHBondContact O-N 3.01Å; V107-A110 PolarHBondContact O-N 3.47Å; A110-Y112 VanDerWaalsContact C-N 3.28Å; A110-Y112 PolarHBondContact O-N 3.43Å; A110-N113 PolarHBondContact O-N 2.7Å; A110-R114 WeakPolarHBondContact O-CB 3.13Å; A110-R114 PolarHBondContact O-N 2.82Å
111A98.1Very high96.8Very high2 Ų244.4 Ų44.42%0.01722%0.218CC..Hα-helixtrans-60.4-40.6174.400000111.1V107 G108 R114 W115 V133 T137V107-A111 VanDerWaalsContact O-CB 3.27Å; V107-A111 WeakPolarHBondContact O-CB 3.35Å; V107-A111 PolarHBondContact O-N 3.48Å; G108-A111 PolarHBondContact O-N 2.98Å; A111-R114 PolarHBondContact O-N 2.96Å; A111-W115 HydrophobicContact CB-CE3 3.79Å; A111-W115 HydrophobicContact CB-CZ3 3.79Å; A111-W115 PolarHBondContact O-N 3.42Å; A111-V133 HydrophobicContact CB-CG1 4.14Å; A111-T137 WeakPolarHBondContact CB-OG1 3.35Å
112Y98.2Very high96.4Very high1 Ų151.4 Ų51.40%0.00426%0.256CS..Hα-helixtrans-59.6-52.8173.7-174.8-88000111.4K66 D67 A69 A71 A72 G108 G109 A110 R114 W115 S116 K130 V133K66-Y112 HydrophobicContact CG-CD1 4.47Å; K66-Y112 HydrophobicContact CG-CE1 4.09Å; D67-Y112 WeakPolarHBondContact OD1-CE1 3.22Å; D67-Y112 PolarHBondContact OD1-OH 2.96Å; D67-Y112 PolarHBondContact OD2-OH 3.22Å; A69-Y112 HydrophobicContact CB-CE1 4.31Å; A69-Y112 HydrophobicContact CB-CE2 3.63Å; A69-Y112 VanDerWaalsContact CB-CZ 3.44Å; A69-Y112 WeakPolarHBondContact CB-OH 3.28Å; A71-Y112 HydrophobicContact CB-CD2 4.37Å; A71-Y112 HydrophobicContact CB-CE2 4.12Å; A72-Y112 HydrophobicContact CB-CD2 3.86Å; A72-Y112 HydrophobicContact CB-CG 3.79Å; G108-Y112 WeakPolarHBondContact O-CB 3.39Å; G108-Y112 PolarHBondContact O-N 3Å; G109-Y112 PolarHBondContact O-N 3.12Å; A110-Y112 VanDerWaalsContact C-N 3.28Å; A110-Y112 PolarHBondContact O-N 3.43Å; Y112-R114 PolarHBondContact O-N 3.39Å; Y112-R114 VanDerWaalsContact O-N 3.11Å; Y112-W115 PolarHBondContact O-N 3.49Å; Y112-S116 WeakPolarHBondContact O-CB 3.41Å; Y112-S116 PolarHBondContact O-N 2.81Å; Y112-S116 PolarHBondContact O-OG 3.46Å; Y112-K130 HydrophobicContact CE2-CB 4.45Å; Y112-K130 HydrophobicContact CE2-CD 4.02Å; Y112-K130 HydrophobicContact CE2-CG 4Å; Y112-K130 WeakPolarHBondContact OH-CE 3.19Å; Y112-K130 PolarHBondContact OH-NZ 3.17Å; Y112-V133 VanDerWaalsContact CA-CG1 3.49Å; Y112-V133 HydrophobicContact CD2-CB 4.46Å; Y112-V133 HydrophobicContact CD2-CG1 4.18Å; Y112-V133 HydrophobicContact CD2-CG2 4.02Å; Y112-V133 HydrophobicContact CG-CG1 4.49Å
113N97.1Very high96.2Very high45 Ų4559 Ų5924%0.24129%0.289CS..Hα-helixtrans-58.9-29.7-178.7-68.9-23.7000112.8W64 S65 K66 G109 A110W64-N113 PolarHBondContact O-ND2 3.33Å; S65-N113 WeakPolarHBondContact CA-OD1 3.49Å; K66-N113 WeakPolarHBondContact CB-OD1 3.5Å; K66-N113 PolarHBondContact N-OD1 2.86Å; G109-N113 PolarHBondContact O-N 2.98Å; G109-N113 PolarHBondContact O-ND2 3.08Å; G109-N113 VanDerWaalsContact O-ND2 3.15Å; A110-N113 PolarHBondContact O-N 2.7Å
114R96.7Very high96Very high193 Ų19360.7 Ų60.773%0.72830%0.298SS*.Hα-helixtrans-85.6-39.9-179-175.761.8176-178.10.6113.6A110 A111 Y112A110-R114 WeakPolarHBondContact O-CB 3.13Å; A110-R114 PolarHBondContact O-N 2.82Å; A111-R114 PolarHBondContact O-N 2.96Å; Y112-R114 PolarHBondContact O-N 3.39Å; Y112-R114 VanDerWaalsContact O-N 3.11Å
115W96.4Very high95.7Very high70 Ų7063.8 Ų63.827%0.26532%0.319SS..Hα-helixtrans-126.48.5-166.6-60.9-66.9000115.1A111 Y112 D117 I118 F132 A136 F140A111-W115 HydrophobicContact CB-CE3 3.79Å; A111-W115 HydrophobicContact CB-CZ3 3.79Å; A111-W115 PolarHBondContact O-N 3.42Å; Y112-W115 PolarHBondContact O-N 3.49Å; W115-D117 PolarHBondContact O-N 3.15Å; W115-I118 HydrophobicContact CB-CB 4.27Å; W115-I118 HydrophobicContact CB-CG2 4.36Å; W115-I118 WeakPolarHBondContact O-CB 3.36Å; W115-I118 VanDerWaalsContact O-CG2 3.22Å; W115-I118 WeakPolarHBondContact O-CG2 3.32Å; W115-I118 PolarHBondContact O-N 2.71Å; W115-I118 VanDerWaalsContact O-N 3.11Å; W115-F132 HydrophobicContact CB-CD1 3.84Å; W115-F132 HydrophobicContact CB-CE1 4.31Å; W115-F132 HydrophobicContact CD2-CE1 4.4Å; W115-F132 HydrophobicContact CG-CD1 4.17Å; W115-F132 HydrophobicContact CG-CE1 4.13Å; W115-A136 HydrophobicContact CE3-CB 4.15Å; W115-A136 HydrophobicContact CZ3-CB 4.42Å; W115-F140 HydrophobicContact CE3-CE2 4.48Å; W115-F140 HydrophobicContact CH2-CD2 4.4Å; W115-F140 AromaticContact CH2-CE2 3.28Å; W115-F140 HydrophobicContact CH2-CE2 3.28Å; W115-F140 AromaticContact CH2-CZ 3.5Å; W115-F140 HydrophobicContact CH2-CZ 3.5Å; W115-F140 VanDerWaalsContact CH2-CZ 3.5Å; W115-F140 HydrophobicContact CZ2-CE2 4.3Å; W115-F140 HydrophobicContact CZ2-CZ 4.29Å; W115-F140 HydrophobicContact CZ3-CD2 4.21Å; W115-F140 AromaticContact CZ3-CE2 3.39Å; W115-F140 HydrophobicContact CZ3-CE2 3.39Å; W115-F140 HydrophobicContact CZ3-CZ 4.11Å
116S95.7Very high95.4Very high3 Ų370.2 Ų70.22%0.02135%0.348CS..THydrogen-bonded Turntrans-55.1-24.9176.757.30000114.1K66 Y112 G129 K130K66-S116 WeakPolarHBondContact CE-OG 3.49Å; K66-S116 PolarHBondContact NZ-OG 2.91Å; K66-S116 VanDerWaalsContact NZ-OG 3.09Å; Y112-S116 WeakPolarHBondContact O-CB 3.41Å; Y112-S116 PolarHBondContact O-N 2.81Å; Y112-S116 PolarHBondContact O-OG 3.46Å; S116-G129 CarbonylContact O-C 3.13Å; S116-G129 WeakPolarHBondContact O-CA 3.03Å; S116-K130 PolarHBondContact O-N 3.37Å
117D94.9Very high95.2Very high113 Ų11372.5 Ų72.560%0.60436%0.356SS*.THydrogen-bonded Turntrans-116.716.9-174.9-53.2-63.4000112.2K66 W115K66-D117 IonicContact NZ-OD2 3.19Å; K66-D117 PolarHBondContact NZ-OD2 3.42Å; W115-D117 PolarHBondContact O-N 3.15Å
118I96Very high94.9Very high43 Ų4371.8 Ų71.822%0.22136%0.355CS..  trans-63135.4-179.1-165.6176.2000111.3W115 L120 G129 F132W115-I118 HydrophobicContact CB-CB 4.27Å; W115-I118 HydrophobicContact CB-CG2 4.36Å; W115-I118 WeakPolarHBondContact O-CB 3.36Å; W115-I118 VanDerWaalsContact O-CG2 3.22Å; W115-I118 WeakPolarHBondContact O-CG2 3.32Å; W115-I118 PolarHBondContact O-N 2.71Å; W115-I118 VanDerWaalsContact O-N 3.11Å; I118-L120 HydrophobicContact CD1-CD2 3.97Å; I118-L120 HydrophobicContact CG1-CD2 4.34Å; I118-G129 PolarHBondContact O-N 2.71Å; I118-F132 HydrophobicContact CD1-CD1 4.05Å; I118-F132 HydrophobicContact CD1-CE1 3.93Å; I118-F132 HydrophobicContact CD1-CZ 4.41Å; I118-F132 HydrophobicContact CG2-CB 3.69Å; I118-F132 HydrophobicContact CG2-CD1 3.88Å; I118-F132 HydrophobicContact CG2-CG 3.9Å
119K93.5Very high94.7Very high200 Ų20072.5 Ų72.587%0.8736%0.362SS*.  trans-104.3121.8171.5-64.3-176.6179.6-1790108.9
120L93Very high94.5Very high40 Ų4076.9 Ų76.921%0.20938%0.381CS..  trans-99.9157178.2-67.8179.4000110.1I118 L124 F127 F132I118-L120 HydrophobicContact CD1-CD2 3.97Å; I118-L120 HydrophobicContact CG1-CD2 4.34Å; L120-L124 HydrophobicContact CB-CB 4.06Å; L120-L124 HydrophobicContact CD1-CB 4.1Å; L120-L124 WeakPolarHBondContact CD1-O 3.34Å; L120-F127 HydrophobicContact CD1-CB 3.82Å; L120-F132 HydrophobicContact CD1-CD2 4.05Å
121P93.9Very high94.4Very high68 Ų6881 Ų8144%0.44239%0.387SS..  trans-59.9159.9173.327.1-36.4000111.6F123 L124 S125P121-F123 VanDerWaalsContact C-N 3.29Å; P121-F123 HydrophobicContact CB-CD1 3.97Å; P121-F123 HydrophobicContact CB-CE1 3.64Å; P121-F123 HydrophobicContact CG-CD1 4.07Å; P121-F123 HydrophobicContact CG-CE1 3.43Å; P121-F123 VanDerWaalsContact CG-CE1 3.43Å; P121-F123 HydrophobicContact CG-CZ 3.84Å; P121-F123 PolarHBondContact O-N 3.44Å; P121-F123 VanDerWaalsContact O-N 3.1Å; P121-L124 CarbonylContact O-C 3.45Å; P121-L124 PolarHBondContact O-N 2.93Å; P121-S125 PolarHBondContact O-N 2.85Å
122D90.4Very high94.3Very high147 Ų14783.2 Ų83.279%0.78640%0.397SS*.G310 helixtrans-51.7-42.5-166.9-65.4-26000114.3L124 S125D122-L124 PolarHBondContact O-N 3.2Å; D122-S125 WeakPolarHBondContact O-CB 3.48Å; D122-S125 PolarHBondContact O-N 3.41Å; D122-S125 PolarHBondContact O-OG 3.45Å
123F93Very high94.3Very high173 Ų17383.2 Ų83.276%0.75940%0.396SS*.G310 helixtrans-67.6-18.8179.969.9-83.7000114.3P121P121-F123 VanDerWaalsContact C-N 3.29Å; P121-F123 HydrophobicContact CB-CD1 3.97Å; P121-F123 HydrophobicContact CB-CE1 3.64Å; P121-F123 HydrophobicContact CG-CD1 4.07Å; P121-F123 HydrophobicContact CG-CE1 3.43Å; P121-F123 VanDerWaalsContact CG-CE1 3.43Å; P121-F123 HydrophobicContact CG-CZ 3.84Å; P121-F123 PolarHBondContact O-N 3.44Å; P121-F123 VanDerWaalsContact O-N 3.1Å
124L93Very high94.3Very high66 Ų6682 Ų8235%0.34639%0.391SS..G310 helixtrans-114.58.8174.6-64.1176.3000112.9L120 P121 D122 F126 F127L120-L124 HydrophobicContact CB-CB 4.06Å; L120-L124 HydrophobicContact CD1-CB 4.1Å; L120-L124 WeakPolarHBondContact CD1-O 3.34Å; P121-L124 CarbonylContact O-C 3.45Å; P121-L124 PolarHBondContact O-N 2.93Å; D122-L124 PolarHBondContact O-N 3.2Å; L124-F126 PolarHBondContact O-N 3.01Å; L124-F126 VanDerWaalsContact O-N 3.08Å; L124-F127 HydrophobicContact CB-CD2 4.45Å; L124-F127 HydrophobicContact CD2-CD2 4Å; L124-F127 HydrophobicContact CD2-CE2 4.2Å; L124-F127 PolarHBondContact O-N 3.42Å
125S90.9Very high94.4Very high65 Ų6576.8 Ų76.846%0.45538%0.377SS..G310 helixtrans-57.5-27.6-175.961.30000113.4P121 D122 F127 G128P121-S125 PolarHBondContact O-N 2.85Å; D122-S125 WeakPolarHBondContact O-CB 3.48Å; D122-S125 PolarHBondContact O-N 3.41Å; D122-S125 PolarHBondContact O-OG 3.45Å; S125-F127 PolarHBondContact O-N 2.94Å; S125-G128 PolarHBondContact O-N 3.25Å
126F92.6Very high94.4Very high135 Ų13573.8 Ų73.859%0.59237%0.367SS*.G310 helixtrans-58.8-31.5172179.5-96.2000113.4L124 G128 R131L124-F126 PolarHBondContact O-N 3.01Å; L124-F126 VanDerWaalsContact O-N 3.08Å; F126-G128 VanDerWaalsContact C-N 3.35Å; F126-R131 WeakPolarHBondContact O-CD 3.46Å; F126-R131 PolarHBondContact O-NE 2.83Å; F126-R131 PolarHBondContact O-NH1 3.43Å; F126-R131 VanDerWaalsContact O-NH1 3.16Å; F126-R131 PolarHBondContact O-NH2 2.94Å
127F93.3Very high94.6Very high83 Ų8373.7 Ų73.736%0.36437%0.366SS..G310 helixtrans-88.9-3.6177.7-57.7-69.3000112.8L120 L124 S125 R131 F132 I135L120-F127 HydrophobicContact CD1-CB 3.82Å; L124-F127 HydrophobicContact CB-CD2 4.45Å; L124-F127 HydrophobicContact CD2-CD2 4Å; L124-F127 HydrophobicContact CD2-CE2 4.2Å; L124-F127 PolarHBondContact O-N 3.42Å; S125-F127 PolarHBondContact O-N 2.94Å; F127-R131 CarbonylContact O-C 3.51Å; F127-F132 VanDerWaalsContact O-CA 3.23Å; F127-F132 WeakPolarHBondContact O-CA 3.48Å; F127-F132 WeakPolarHBondContact O-CB 3.49Å; F127-F132 PolarHBondContact O-N 3.16Å; F127-I135 HydrophobicContact CB-CD1 4.13Å; F127-I135 HydrophobicContact CD1-CD1 3.43Å; F127-I135 VanDerWaalsContact CD1-CD1 3.43Å; F127-I135 HydrophobicContact CE1-CD1 4.11Å; F127-I135 HydrophobicContact CG-CD1 4.01Å
128G92.2Very high94.8Very high14 Ų1468.8 Ų68.814%0.14434%0.343CS..  trans-64158.9-177.400000114.2S125 F126S125-G128 PolarHBondContact O-N 3.25Å; F126-G128 VanDerWaalsContact C-N 3.35Å
129G93.9Very high94.9Very high16 Ų1673.1 Ų73.117%0.16536%0.36CS..G310 helixtrans64.3-139.3179.900000113.3S116 I118 R131 F132S116-G129 CarbonylContact O-C 3.13Å; S116-G129 WeakPolarHBondContact O-CA 3.03Å; I118-G129 PolarHBondContact O-N 2.71Å; G129-R131 PolarHBondContact O-N 2.83Å; G129-F132 VanDerWaalsContact O-CB 3.31Å; G129-F132 WeakPolarHBondContact O-CB 3.47Å; G129-F132 PolarHBondContact O-N 3.45Å
130K95.2Very high95.1Very high91 Ų9167.5 Ų67.540%0.39634%0.336SS..G310 helixtrans-58.5-24.7-175-58.2-171.1-175.2-159.40113.9D67 A71 Y112 S116 F132 V133D67-K130 IonicContact OD2-NZ 2.83Å; D67-K130 PolarHBondContact OD2-NZ 3.11Å; A71-K130 HydrophobicContact CB-CB 3.89Å; Y112-K130 HydrophobicContact CE2-CB 4.45Å; Y112-K130 HydrophobicContact CE2-CD 4.02Å; Y112-K130 HydrophobicContact CE2-CG 4Å; Y112-K130 WeakPolarHBondContact OH-CE 3.19Å; Y112-K130 PolarHBondContact OH-NZ 3.17Å; S116-K130 PolarHBondContact O-N 3.37Å; K130-F132 VanDerWaalsContact C-N 3.29Å; K130-F132 PolarHBondContact O-N 3.47Å; K130-V133 WeakPolarHBondContact O-CB 3.41Å; K130-V133 PolarHBondContact O-N 3.19Å
131R94.6Very high95.4Very high134 Ų13465.6 Ų65.651%0.50633%0.326SS..G310 helixtrans-70-24.2177.3-69177.5-73.1-175.72.4113.1F126 F127 G129 V133 P134F126-R131 WeakPolarHBondContact O-CD 3.46Å; F126-R131 PolarHBondContact O-NE 2.83Å; F126-R131 PolarHBondContact O-NH1 3.43Å; F126-R131 VanDerWaalsContact O-NH1 3.16Å; F126-R131 PolarHBondContact O-NH2 2.94Å; F127-R131 CarbonylContact O-C 3.51Å; G129-R131 PolarHBondContact O-N 2.83Å; R131-V133 VanDerWaalsContact C-N 3.27Å; R131-V133 PolarHBondContact O-N 3.23Å; R131-P134 WeakPolarHBondContact O-CD 3.43Å
132F96.6Very high95.6Very high48 Ų4866.7 Ų66.721%0.21133%0.328CS..Hα-helixtrans-71.3-27.1176.9-172.4-112.9000111.9W115 I118 L120 F127 G129 K130 I135 A136W115-F132 HydrophobicContact CB-CD1 3.84Å; W115-F132 HydrophobicContact CB-CE1 4.31Å; W115-F132 HydrophobicContact CD2-CE1 4.4Å; W115-F132 HydrophobicContact CG-CD1 4.17Å; W115-F132 HydrophobicContact CG-CE1 4.13Å; I118-F132 HydrophobicContact CD1-CD1 4.05Å; I118-F132 HydrophobicContact CD1-CE1 3.93Å; I118-F132 HydrophobicContact CD1-CZ 4.41Å; I118-F132 HydrophobicContact CG2-CB 3.69Å; I118-F132 HydrophobicContact CG2-CD1 3.88Å; I118-F132 HydrophobicContact CG2-CG 3.9Å; L120-F132 HydrophobicContact CD1-CD2 4.05Å; F127-F132 VanDerWaalsContact O-CA 3.23Å; F127-F132 WeakPolarHBondContact O-CA 3.48Å; F127-F132 WeakPolarHBondContact O-CB 3.49Å; F127-F132 PolarHBondContact O-N 3.16Å; G129-F132 VanDerWaalsContact O-CB 3.31Å; G129-F132 WeakPolarHBondContact O-CB 3.47Å; G129-F132 PolarHBondContact O-N 3.45Å; K130-F132 VanDerWaalsContact C-N 3.29Å; K130-F132 PolarHBondContact O-N 3.47Å; F132-I135 WeakPolarHBondContact O-CB 3.48Å; F132-I135 PolarHBondContact O-N 2.95Å; F132-I135 VanDerWaalsContact O-N 3.1Å; F132-A136 HydrophobicContact CD1-CB 4.02Å; F132-A136 HydrophobicContact CE1-CB 3.71Å; F132-A136 HydrophobicContact CZ-CB 4.22Å; F132-A136 PolarHBondContact O-N 3.08Å
133V97.7Very high96Very high0 Ų063 Ų630%031%0.31CS..Hα-helixtrans-62.8-47-168.1-179.20000112.8A75 A111 Y112 K130 R131 I135 A136 T137A75-V133 HydrophobicContact CB-CG1 3.72Å; A111-V133 HydrophobicContact CB-CG1 4.14Å; Y112-V133 VanDerWaalsContact CA-CG1 3.49Å; Y112-V133 HydrophobicContact CD2-CB 4.46Å; Y112-V133 HydrophobicContact CD2-CG1 4.18Å; Y112-V133 HydrophobicContact CD2-CG2 4.02Å; Y112-V133 HydrophobicContact CG-CG1 4.49Å; K130-V133 WeakPolarHBondContact O-CB 3.41Å; K130-V133 PolarHBondContact O-N 3.19Å; R131-V133 VanDerWaalsContact C-N 3.27Å; R131-V133 PolarHBondContact O-N 3.23Å; V133-I135 VanDerWaalsContact C-N 3.27Å; V133-I135 PolarHBondContact O-N 3.12Å; V133-A136 PolarHBondContact O-N 3.31Å; V133-T137 WeakPolarHBondContact O-CB 3.43Å; V133-T137 PolarHBondContact O-N 3.42Å; V133-T137 PolarHBondContact O-OG1 2.9Å
134P97.9Very high96.3Very high19 Ų1956.7 Ų56.712%0.12328%0.284CS..Hα-helixtrans-62.2-34.1174.6-23.134.9000113.2L74 A75 V78 R131 T137 G138L74-P134 HydrophobicContact CD2-CG 4.08Å; L74-P134 HydrophobicContact CG-CG 4.16Å; A75-P134 HydrophobicContact CB-CB 4.31Å; A75-P134 HydrophobicContact CB-CG 4.17Å; V78-P134 HydrophobicContact CB-CB 4.5Å; V78-P134 HydrophobicContact CG2-CB 4.22Å; R131-P134 WeakPolarHBondContact O-CD 3.43Å; P134-T137 PolarHBondContact O-N 3.44Å; P134-G138 PolarHBondContact O-N 2.9Å
135I97.5Very high96.5Very high84 Ų8453.6 Ų53.643%0.43127%0.268SS..Hα-helixtrans-66.5-51.9178.8-57.4173.2000110F127 F132 V133 T137 G138 F139F127-I135 HydrophobicContact CB-CD1 4.13Å; F127-I135 HydrophobicContact CD1-CD1 3.43Å; F127-I135 VanDerWaalsContact CD1-CD1 3.43Å; F127-I135 HydrophobicContact CE1-CD1 4.11Å; F127-I135 HydrophobicContact CG-CD1 4.01Å; F132-I135 WeakPolarHBondContact O-CB 3.48Å; F132-I135 PolarHBondContact O-N 2.95Å; F132-I135 VanDerWaalsContact O-N 3.1Å; V133-I135 VanDerWaalsContact C-N 3.27Å; V133-I135 PolarHBondContact O-N 3.12Å; I135-T137 VanDerWaalsContact C-N 3.3Å; I135-T137 PolarHBondContact O-N 3.13Å; I135-G138 PolarHBondContact O-N 3.44Å; I135-F139 PolarHBondContact O-N 3.27Å
136A97.7Very high96.8Very high8 Ų853 Ų537%0.06627%0.267CS..Hα-helixtrans-58.7-44.5176.900000111.2W115 F132 V133 G138 F139 F140W115-A136 HydrophobicContact CE3-CB 4.15Å; W115-A136 HydrophobicContact CZ3-CB 4.42Å; F132-A136 HydrophobicContact CD1-CB 4.02Å; F132-A136 HydrophobicContact CE1-CB 3.71Å; F132-A136 HydrophobicContact CZ-CB 4.22Å; F132-A136 PolarHBondContact O-N 3.08Å; V133-A136 PolarHBondContact O-N 3.31Å; A136-G138 PolarHBondContact O-N 3.43Å; A136-F139 PolarHBondContact O-N 3.5Å; A136-F140 HydrophobicContact CB-CE2 4.33Å; A136-F140 WeakPolarHBondContact O-CD2 3.43Å; A136-F140 PolarHBondContact O-N 3.21Å
137T98.6Very high97.1Very high0 Ų050.6 Ų50.60%026%0.259CS..Hα-helixtrans-62.8-44179.1-56.60000111.6A75 V107 A111 V133 P134 I135 F139 F140 C141A75-T137 HydrophobicContact CB-CG2 4.32Å; A75-T137 WeakPolarHBondContact O-CG2 3.46Å; V107-T137 HydrophobicContact CG1-CG2 4.13Å; A111-T137 WeakPolarHBondContact CB-OG1 3.35Å; V133-T137 WeakPolarHBondContact O-CB 3.43Å; V133-T137 PolarHBondContact O-N 3.42Å; V133-T137 PolarHBondContact O-OG1 2.9Å; P134-T137 PolarHBondContact O-N 3.44Å; I135-T137 VanDerWaalsContact C-N 3.3Å; I135-T137 PolarHBondContact O-N 3.13Å; T137-F139 VanDerWaalsContact C-N 3.32Å; T137-F139 PolarHBondContact O-N 3.48Å; T137-F140 PolarHBondContact O-N 3.46Å; T137-C141 VanDerWaalsContact O-CB 3.28Å; T137-C141 WeakPolarHBondContact O-CB 3.37Å; T137-C141 PolarHBondContact O-N 3.21Å; T137-C141 PolarHBondContact O-SG 2.89Å; T137-C141 VanDerWaalsContact O-SG 3.36Å
138G98.6Very high97.3Very high11 Ų1148.7 Ų48.711%0.11325%0.251CS..Hα-helixtrans-56.2-46173.400000111.9V82 P134 I135 A136 C141 L142V82-G138 WeakPolarHBondContact CG1-O 3.19Å; P134-G138 PolarHBondContact O-N 2.9Å; I135-G138 PolarHBondContact O-N 3.44Å; A136-G138 PolarHBondContact O-N 3.43Å; G138-C141 PolarHBondContact O-N 2.75Å; G138-L142 WeakPolarHBondContact O-CB 3.29Å; G138-L142 PolarHBondContact O-N 3.26Å
139F98.3Very high97.5Very high133 Ų13348 Ų4858%0.58324%0.244SC*.Hα-helixtrans-61.4-48176.8179.9-98.1000112.8I135 A136 T137 C141 L142 V143I135-F139 PolarHBondContact O-N 3.27Å; A136-F139 PolarHBondContact O-N 3.5Å; T137-F139 VanDerWaalsContact C-N 3.32Å; T137-F139 PolarHBondContact O-N 3.48Å; F139-C141 VanDerWaalsContact C-N 3.35Å; F139-C141 PolarHBondContact O-N 3.06Å; F139-L142 WeakPolarHBondContact O-CB 3.35Å; F139-L142 PolarHBondContact O-N 2.84Å; F139-V143 HydrophobicContact CE1-CG2 4.4Å; F139-V143 HydrophobicContact CZ-CG2 4.48Å; F139-V143 PolarHBondContact O-N 3.36Å
140F98.7Very high97.5Very high82 Ų8255.5 Ų55.536%0.3627%0.269SS..Hα-helixtrans-63.9-40.4177.4-72.3-63000112.3V107 W115 A136 T137 L142 V143 L144V107-F140 HydrophobicContact CG1-CB 3.85Å; W115-F140 HydrophobicContact CE3-CE2 4.48Å; W115-F140 HydrophobicContact CH2-CD2 4.4Å; W115-F140 AromaticContact CH2-CE2 3.28Å; W115-F140 HydrophobicContact CH2-CE2 3.28Å; W115-F140 AromaticContact CH2-CZ 3.5Å; W115-F140 HydrophobicContact CH2-CZ 3.5Å; W115-F140 VanDerWaalsContact CH2-CZ 3.5Å; W115-F140 HydrophobicContact CZ2-CE2 4.3Å; W115-F140 HydrophobicContact CZ2-CZ 4.29Å; W115-F140 HydrophobicContact CZ3-CD2 4.21Å; W115-F140 AromaticContact CZ3-CE2 3.39Å; W115-F140 HydrophobicContact CZ3-CE2 3.39Å; W115-F140 HydrophobicContact CZ3-CZ 4.11Å; A136-F140 HydrophobicContact CB-CE2 4.33Å; A136-F140 WeakPolarHBondContact O-CD2 3.43Å; A136-F140 PolarHBondContact O-N 3.21Å; T137-F140 PolarHBondContact O-N 3.46Å; F140-L142 VanDerWaalsContact C-N 3.29Å; F140-L142 PolarHBondContact O-N 2.88Å; F140-V143 PolarHBondContact O-N 2.98Å; F140-L144 WeakPolarHBondContact O-CG 3.18Å; F140-L144 PolarHBondContact O-N 2.85Å
141C98.7Very high97.6Very high0 Ų055 Ų550%027%0.273CS..Hα-helixtrans-69.1-27.1177.6-72.60000112.7G79 V82 L83 T137 G138 F139 L144 A145G79-C141 WeakPolarHBondContact CA-SG 3.42Å; G79-C141 WeakPolarHBondContact O-CB 3.33Å; V82-C141 HydrophobicContact CB-CB 4.37Å; V82-C141 HydrophobicContact CG1-CB 4.4Å; L83-C141 HydrophobicContact CB-CB 4.33Å; T137-C141 VanDerWaalsContact O-CB 3.28Å; T137-C141 WeakPolarHBondContact O-CB 3.37Å; T137-C141 PolarHBondContact O-N 3.21Å; T137-C141 PolarHBondContact O-SG 2.89Å; T137-C141 VanDerWaalsContact O-SG 3.36Å; G138-C141 PolarHBondContact O-N 2.75Å; F139-C141 VanDerWaalsContact C-N 3.35Å; F139-C141 PolarHBondContact O-N 3.06Å; C141-L144 PolarHBondContact O-N 3.49Å; C141-A145 WeakPolarHBondContact O-CB 3.41Å; C141-A145 PolarHBondContact O-N 2.9Å
142L98.5Very high97.6Very high92 Ų9249.2 Ų49.248%0.48225%0.251SS..Hα-helixtrans-66-44.6170.2-177.863.7000111.3V82 A86 G138 F139 F140 L144 A145 A146V82-L142 HydrophobicContact CG1-CB 3.78Å; V82-L142 HydrophobicContact CG1-CD1 4.25Å; A86-L142 HydrophobicContact CB-CD1 4.14Å; G138-L142 WeakPolarHBondContact O-CB 3.29Å; G138-L142 PolarHBondContact O-N 3.26Å; F139-L142 WeakPolarHBondContact O-CB 3.35Å; F139-L142 PolarHBondContact O-N 2.84Å; F140-L142 VanDerWaalsContact C-N 3.29Å; F140-L142 PolarHBondContact O-N 2.88Å; L142-L144 VanDerWaalsContact C-N 3.33Å; L142-L144 PolarHBondContact O-N 3.48Å; L142-A145 WeakPolarHBondContact O-CB 3.44Å; L142-A145 PolarHBondContact O-N 2.97Å; L142-A145 VanDerWaalsContact O-N 3.13Å; L142-A146 PolarHBondContact O-N 2.94Å; L142-A146 VanDerWaalsContact O-N 3.08Å
143V98.5Very high97.5Very high70 Ų7048.2 Ų48.242%0.42425%0.25SC..Hα-helixtrans-61.9-44174.3176.90000110.5F139 F140 A145 A146 I147F139-V143 HydrophobicContact CE1-CG2 4.4Å; F139-V143 HydrophobicContact CZ-CG2 4.48Å; F139-V143 PolarHBondContact O-N 3.36Å; F140-V143 PolarHBondContact O-N 2.98Å; V143-A145 VanDerWaalsContact C-N 3.26Å; V143-A145 PolarHBondContact O-N 3Å; V143-A146 PolarHBondContact O-N 3.46Å; V143-I147 HydrophobicContact CG1-CD1 4.1Å; V143-I147 WeakPolarHBondContact O-CG1 3.44Å; V143-I147 PolarHBondContact O-N 3.43Å; V143-I147 VanDerWaalsContact O-N 3.09Å
144L98.5Very high97.3Very high40 Ų4052.3 Ų52.321%0.20928%0.276CS..Hα-helixtrans-63-32.7174.3-69.7176.9000112.3L83 I103 V107 F140 C141 L142 I147 F148L83-L144 HydrophobicContact CD1-CB 3.75Å; I103-L144 HydrophobicContact CG2-CD1 4.08Å; V107-L144 HydrophobicContact CG2-CD1 3.69Å; F140-L144 WeakPolarHBondContact O-CG 3.18Å; F140-L144 PolarHBondContact O-N 2.85Å; C141-L144 PolarHBondContact O-N 3.49Å; L142-L144 VanDerWaalsContact C-N 3.33Å; L142-L144 PolarHBondContact O-N 3.48Å; L144-I147 HydrophobicContact CD2-CD1 4.44Å; L144-I147 PolarHBondContact O-N 3.34Å; L144-F148 HydrophobicContact CB-CD2 4.13Å; L144-F148 HydrophobicContact CB-CE2 4.39Å; L144-F148 HydrophobicContact CD2-CE2 4.11Å; L144-F148 WeakPolarHBondContact O-CB 3.36Å; L144-F148 WeakPolarHBondContact O-CD2 3.39Å; L144-F148 PolarHBondContact O-N 3.15Å
145A98.3Very high97Very high1 Ų154.2 Ų54.21%0.00829%0.288CS..Hα-helixtrans-66-40.7176.100000111.7L83 A86 M87 C141 L142 V143 I147 G149L83-A145 HydrophobicContact CD1-CB 4.04Å; A86-A145 HydrophobicContact CB-CB 3.59Å; M87-A145 HydrophobicContact CG-CB 4.04Å; C141-A145 WeakPolarHBondContact O-CB 3.41Å; C141-A145 PolarHBondContact O-N 2.9Å; L142-A145 WeakPolarHBondContact O-CB 3.44Å; L142-A145 PolarHBondContact O-N 2.97Å; L142-A145 VanDerWaalsContact O-N 3.13Å; V143-A145 VanDerWaalsContact C-N 3.26Å; V143-A145 PolarHBondContact O-N 3Å; A145-I147 VanDerWaalsContact C-N 3.3Å; A145-I147 PolarHBondContact O-N 3.31Å; A145-G149 VanDerWaalsContact O-CA 3.29Å; A145-G149 WeakPolarHBondContact O-CA 3.32Å; A145-G149 PolarHBondContact O-N 3.02Å
146A97.6Very high96.7Very high51 Ų5152 Ų5242%0.42128%0.275SS..Hα-helixtrans-61.6-40.8172.700000111.1L142 V143 Y150L142-A146 PolarHBondContact O-N 2.94Å; L142-A146 VanDerWaalsContact O-N 3.08Å; V143-A146 PolarHBondContact O-N 3.46Å; A146-Y150 WeakPolarHBondContact O-CD2 3.47Å
147I97.8Very high96.3Very high86 Ų8657.9 Ų57.944%0.44130%0.301SS..Hα-helixtrans-69.7-59179.2-63.9165.9000111.3V143 L144 A145 G149 Y150 V151V143-I147 HydrophobicContact CG1-CD1 4.1Å; V143-I147 WeakPolarHBondContact O-CG1 3.44Å; V143-I147 PolarHBondContact O-N 3.43Å; V143-I147 VanDerWaalsContact O-N 3.09Å; L144-I147 HydrophobicContact CD2-CD1 4.44Å; L144-I147 PolarHBondContact O-N 3.34Å; A145-I147 VanDerWaalsContact C-N 3.3Å; A145-I147 PolarHBondContact O-N 3.31Å; I147-G149 PolarHBondContact O-N 3.31Å; I147-Y150 PolarHBondContact O-N 3.04Å; I147-Y150 VanDerWaalsContact O-N 3.14Å; I147-V151 HydrophobicContact CG2-CG2 4.08Å; I147-V151 WeakPolarHBondContact O-CB 3.37Å; I147-V151 VanDerWaalsContact O-CG2 3.3Å; I147-V151 WeakPolarHBondContact O-CG2 3.2Å; I147-V151 PolarHBondContact O-N 3.45Å
148F97.4Very high95.8Very high42 Ų4260.9 Ų60.918%0.18433%0.326CS..Hα-helixtrans-66.1-25.8-178.8-76.3-66.3000112.4L83 M87 M96 I103 L144 Y150 V151 W152L83-F148 HydrophobicContact CD1-CD2 4.3Å; M87-F148 HydrophobicContact SD-CB 3.47Å; M87-F148 WeakPolarHBondContact SD-CB 3.42Å; M96-F148 HydrophobicContact CE-CD1 3.74Å; M96-F148 HydrophobicContact CE-CD2 4.34Å; M96-F148 HydrophobicContact CE-CE1 3.91Å; M96-F148 HydrophobicContact CE-CE2 4.49Å; M96-F148 HydrophobicContact CE-CG 3.98Å; M96-F148 HydrophobicContact CE-CZ 4.3Å; M96-F148 HydrophobicContact SD-CB 4.15Å; M96-F148 HydrophobicContact SD-CD1 4.37Å; M96-F148 HydrophobicContact SD-CG 4.16Å; I103-F148 HydrophobicContact CD1-CE1 4.34Å; I103-F148 HydrophobicContact CD1-CE2 4Å; I103-F148 HydrophobicContact CD1-CZ 3.69Å; I103-F148 HydrophobicContact CG2-CE2 4.25Å; L144-F148 HydrophobicContact CB-CD2 4.13Å; L144-F148 HydrophobicContact CB-CE2 4.39Å; L144-F148 HydrophobicContact CD2-CE2 4.11Å; L144-F148 WeakPolarHBondContact O-CB 3.36Å; L144-F148 WeakPolarHBondContact O-CD2 3.39Å; L144-F148 PolarHBondContact O-N 3.15Å; F148-Y150 PolarHBondContact O-N 2.91Å; F148-V151 PolarHBondContact O-N 2.88Å; F148-W152 HydrophobicContact CB-CB 4.47Å; F148-W152 WeakPolarHBondContact O-CA 3.12Å; F148-W152 WeakPolarHBondContact O-CB 3.4Å; F148-W152 PolarHBondContact O-N 3.26Å
149G96Very high95.2Very high1 Ų161.8 Ų61.81%0.0133%0.328CS..Hα-helixtrans-55.7-33.4171.900000113.5I94 A145 I147 P153I94-G149 WeakPolarHBondContact CD1-O 3.46Å; A145-G149 VanDerWaalsContact O-CA 3.29Å; A145-G149 WeakPolarHBondContact O-CA 3.32Å; A145-G149 PolarHBondContact O-N 3.02Å; I147-G149 PolarHBondContact O-N 3.31Å; G149-P153 VanDerWaalsContact O-CD 3.29Å; G149-P153 WeakPolarHBondContact O-CD 3.15Å; G149-P153 WeakPolarHBondContact O-CG 3.15Å
150Y95.5Very high94.6Very high172 Ų17258.6 Ų58.668%0.67532%0.315SS*.Hα-helixtrans-101.6-31.3176.2-64.7-69.2000113.5I90 A146 I147 F148 P154I90-Y150 HydrophobicContact CD1-CE2 4.25Å; I90-Y150 HydrophobicContact CG2-CD1 4.16Å; I90-Y150 HydrophobicContact CG2-CE1 3.79Å; A146-Y150 WeakPolarHBondContact O-CD2 3.47Å; I147-Y150 PolarHBondContact O-N 3.04Å; I147-Y150 VanDerWaalsContact O-N 3.14Å; F148-Y150 PolarHBondContact O-N 2.91Å; Y150-P154 WeakPolarHBondContact O-CD 3.25Å
151V95.6Very high93.9Very high80 Ų8056.8 Ų56.849%0.48532%0.315SS..Hα-helixtrans-82.4-33.6-176.3174.90000112.4I147 F148 P154 V155I147-V151 HydrophobicContact CG2-CG2 4.08Å; I147-V151 WeakPolarHBondContact O-CB 3.37Å; I147-V151 VanDerWaalsContact O-CG2 3.3Å; I147-V151 WeakPolarHBondContact O-CG2 3.2Å; I147-V151 PolarHBondContact O-N 3.45Å; F148-V151 PolarHBondContact O-N 2.88Å; V151-P154 WeakPolarHBondContact O-CD 3.47Å; V151-V155 WeakPolarHBondContact O-CG2 3.35Å
152W95.4Very high93.1Very high13 Ų1358.1 Ų58.15%0.04933%0.329CS..Hα-helixtrans-75.3-40-176-168.3-103.9000114.6N95 M96 L99 F148 V155 Q156 I159 L189N95-W152 PolarHBondContact O-NE1 2.86Å; M96-W152 HydrophobicContact CB-CZ2 4.35Å; M96-W152 HydrophobicContact CE-CD2 4.33Å; M96-W152 HydrophobicContact CE-CE3 4.14Å; M96-W152 HydrophobicContact CG-CD2 3.67Å; M96-W152 HydrophobicContact CG-CE3 4.38Å; M96-W152 HydrophobicContact CG-CG 3.71Å; M96-W152 HydrophobicContact CG-CZ2 4.3Å; M96-W152 HydrophobicContact SD-CG 4.49Å; L99-W152 HydrophobicContact CD2-CH2 3.65Å; L99-W152 HydrophobicContact CD2-CZ3 3.65Å; F148-W152 HydrophobicContact CB-CB 4.47Å; F148-W152 WeakPolarHBondContact O-CA 3.12Å; F148-W152 WeakPolarHBondContact O-CB 3.4Å; F148-W152 PolarHBondContact O-N 3.26Å; W152-V155 HydrophobicContact CE3-CB 4.21Å; W152-V155 HydrophobicContact CE3-CG1 4.13Å; W152-V155 HydrophobicContact CH2-CG1 4.08Å; W152-V155 HydrophobicContact CZ3-CB 4.37Å; W152-V155 HydrophobicContact CZ3-CG1 3.78Å; W152-V155 CarbonylContact O-C 3.59Å; W152-V155 WeakPolarHBondContact O-CA 3.15Å; W152-V155 WeakPolarHBondContact O-CB 3.32Å; W152-V155 PolarHBondContact O-N 2.87Å; W152-Q156 VanDerWaalsContact CD1-OE1 3.3Å; W152-Q156 PolarHBondContact O-N 2.96Å; W152-I159 HydrophobicContact CH2-CD1 4.39Å; W152-I159 HydrophobicContact CZ2-CD1 4.41Å; W152-L189 HydrophobicContact CH2-CD1 4.27Å; W152-L189 HydrophobicContact CH2-CD2 3.52Å; W152-L189 HydrophobicContact CZ2-CD2 3.81Å
153P94Very high92.4Very high28 Ų2853.7 Ų53.718%0.18231%0.306CS..Hα-helixtrans-54.6-44.6-178.2-22.128.3000114.6N91 I94 G149 V155 Q156 H157N91-P153 HydrophobicContact CB-CG 4.43Å; I94-P153 HydrophobicContact CD1-CG 3.7Å; I94-P153 HydrophobicContact CG1-CG 3.8Å; G149-P153 VanDerWaalsContact O-CD 3.29Å; G149-P153 WeakPolarHBondContact O-CD 3.15Å; G149-P153 WeakPolarHBondContact O-CG 3.15Å; P153-V155 VanDerWaalsContact C-N 3.31Å; P153-V155 PolarHBondContact O-N 3.42Å; P153-Q156 PolarHBondContact O-N 3.36Å; P153-H157 WeakPolarHBondContact O-CB 3.25Å; P153-H157 PolarHBondContact O-N 3.09Å
154P94.1Very high91.6Very high85 Ų8554.3 Ų54.355%0.55230%0.304SS*.Hα-helixtrans-61.1-38.2174.2-2434.9000113.2Y150 V151 A158Y150-P154 WeakPolarHBondContact O-CD 3.25Å; V151-P154 WeakPolarHBondContact O-CD 3.47Å; P154-A158 WeakPolarHBondContact O-CB 3.35Å; P154-A158 PolarHBondContact O-N 3.07Å
155V91.9Very high90.9Very high60 Ų6059.6 Ų59.636%0.36432%0.321SS..Hα-helixtrans-67.2-44.7177.8176.90000110.5V151 W152 P153 A158 I159V151-V155 WeakPolarHBondContact O-CG2 3.35Å; W152-V155 HydrophobicContact CE3-CB 4.21Å; W152-V155 HydrophobicContact CE3-CG1 4.13Å; W152-V155 HydrophobicContact CH2-CG1 4.08Å; W152-V155 HydrophobicContact CZ3-CB 4.37Å; W152-V155 HydrophobicContact CZ3-CG1 3.78Å; W152-V155 CarbonylContact O-C 3.59Å; W152-V155 WeakPolarHBondContact O-CA 3.15Å; W152-V155 WeakPolarHBondContact O-CB 3.32Å; W152-V155 PolarHBondContact O-N 2.87Å; P153-V155 VanDerWaalsContact C-N 3.31Å; P153-V155 PolarHBondContact O-N 3.42Å; V155-A158 WeakPolarHBondContact O-CB 3.38Å; V155-A158 PolarHBondContact O-N 3.5Å; V155-I159 HydrophobicContact CG1-CD1 4.13Å; V155-I159 WeakPolarHBondContact O-CG1 3.15Å; V155-I159 PolarHBondContact O-N 3.1Å
156Q90.9Very high90.1Very high37 Ų3759.9 Ų59.917%0.17332%0.322CS..Hα-helixtrans-64.3-42.7177.8-174.6173.4-45.800111.5E93 N95 W152 P153 A158 I159 H160E93-Q156 PolarHBondContact O-NE2 3.49Å; N95-Q156 PolarHBondContact O-OE1 3.38Å; W152-Q156 VanDerWaalsContact CD1-OE1 3.3Å; W152-Q156 PolarHBondContact O-N 2.96Å; P153-Q156 PolarHBondContact O-N 3.36Å; Q156-A158 VanDerWaalsContact C-N 3.29Å; Q156-A158 PolarHBondContact O-N 3.33Å; Q156-I159 PolarHBondContact O-N 2.92Å; Q156-H160 WeakPolarHBondContact O-CB 3.43Å; Q156-H160 PolarHBondContact O-N 3.18Å
157H89.2Confident89.1Confident131 Ų13161 Ų6161%0.60632%0.324SS*.Hα-helixtrans-61.4-38.7174.1-175.7-78.1000111.5P153 H160 A161P153-H157 WeakPolarHBondContact O-CB 3.25Å; P153-H157 PolarHBondContact O-N 3.09Å; H157-H160 PolarHBondContact O-N 2.79Å; H157-A161 WeakPolarHBondContact O-CB 3.4Å; H157-A161 PolarHBondContact O-N 3.38Å
158A88.6Confident88.3Confident63 Ų6361.6 Ų61.652%0.52134%0.335SS..Hα-helixtrans-65.3-40.1174.300000112.5P154 V155 Q156 H160 G162P154-A158 WeakPolarHBondContact O-CB 3.35Å; P154-A158 PolarHBondContact O-N 3.07Å; V155-A158 WeakPolarHBondContact O-CB 3.38Å; V155-A158 PolarHBondContact O-N 3.5Å; Q156-A158 VanDerWaalsContact C-N 3.29Å; Q156-A158 PolarHBondContact O-N 3.33Å; A158-H160 VanDerWaalsContact C-N 3.3Å; A158-G162 PolarHBondContact O-N 3.48Å
159I86.3Confident87.6Confident31 Ų3161.4 Ų61.416%0.15934%0.342CS..Hα-helixtrans-63.1-40.5173.3-66.1166000110.2W152 V155 Q156 G163 V192 L193 I196W152-I159 HydrophobicContact CH2-CD1 4.39Å; W152-I159 HydrophobicContact CZ2-CD1 4.41Å; V155-I159 HydrophobicContact CG1-CD1 4.13Å; V155-I159 WeakPolarHBondContact O-CG1 3.15Å; V155-I159 PolarHBondContact O-N 3.1Å; Q156-I159 PolarHBondContact O-N 2.92Å; I159-G163 PolarHBondContact O-N 3.38Å; I159-V192 HydrophobicContact CG2-CG1 4.22Å; I159-L193 HydrophobicContact CG2-CD1 4.45Å; I159-I196 HydrophobicContact CG2-CD1 4.09Å
160H84.4Confident87Confident65 Ų6563.5 Ų63.530%0.30136%0.363SS..Hα-helixtrans-64.8-55.9178.9-170.961.1000112.5Q156 H157 A158 G162 G163 E164 I196 Q200Q156-H160 WeakPolarHBondContact O-CB 3.43Å; Q156-H160 PolarHBondContact O-N 3.18Å; H157-H160 PolarHBondContact O-N 2.79Å; A158-H160 VanDerWaalsContact C-N 3.3Å; H160-G162 VanDerWaalsContact C-N 3.25Å; H160-G162 PolarHBondContact O-N 2.77Å; H160-G163 WeakPolarHBondContact O-CA 3.34Å; H160-G163 PolarHBondContact O-N 3.13Å; H160-E164 IonicContact CD2-OE1 3.2Å; H160-E164 IonicContact CE1-OE1 3.99Å; H160-E164 PolarHBondContact CE1-OE1 3.3Å; H160-E164 IonicContact NE2-OE1 3.49Å; H160-E164 PolarHBondContact NE2-OE1 3.46Å; H160-E164 PolarHBondContact O-N 2.79Å; H160-I196 HydrophobicContact CB-CD1 4.26Å; H160-Q200 PolarHBondContact CE1-NE2 3.1Å
161A84.9Confident86.5Confident44 Ų4459.8 Ų59.836%0.36437%0.368SS..Hα-helixtrans-59.2-38.2176.900000111.9H157 W165H157-A161 WeakPolarHBondContact O-CB 3.4Å; H157-A161 PolarHBondContact O-N 3.38Å; A161-W165 WeakPolarHBondContact O-CB 3.2Å; A161-W165 PolarHBondContact O-N 3.14Å
162G82.7Confident86.1Confident28 Ų2861.7 Ų61.729%0.28938%0.375SS..Hα-helixtrans-62.8-43172.700000112.5A158 H160 I166A158-G162 PolarHBondContact O-N 3.48Å; H160-G162 VanDerWaalsContact C-N 3.25Å; H160-G162 PolarHBondContact O-N 2.77Å; G162-I166 WeakPolarHBondContact O-CB 3.29Å; G162-I166 VanDerWaalsContact O-CD1 3.26Å; G162-I166 WeakPolarHBondContact O-CD1 3.15Å; G162-I166 WeakPolarHBondContact O-CG1 3.3Å; G162-I166 PolarHBondContact O-N 2.89Å
163G81.8Confident85.6Confident0 Ų061.1 Ų61.10%037%0.373CS..Hα-helixtrans-61.1-48.2176.100000112.8I159 H160 I166 V167I159-G163 PolarHBondContact O-N 3.38Å; H160-G163 WeakPolarHBondContact O-CA 3.34Å; H160-G163 PolarHBondContact O-N 3.13Å; G163-I166 WeakPolarHBondContact O-CB 3.29Å; G163-I166 PolarHBondContact O-N 3.24Å; G163-V167 WeakPolarHBondContact O-CG2 3.1Å; G163-V167 PolarHBondContact O-N 2.83Å
164E82.3Confident85.1Confident83 Ų8363.8 Ų63.839%0.38839%0.392SS..Hα-helixtrans-65-40.5179.2-67.6-174.8151.800112.5H160 I166 V167 S168 I196 Q200H160-E164 IonicContact CD2-OE1 3.2Å; H160-E164 IonicContact CE1-OE1 3.99Å; H160-E164 PolarHBondContact CE1-OE1 3.3Å; H160-E164 IonicContact NE2-OE1 3.49Å; H160-E164 PolarHBondContact NE2-OE1 3.46Å; H160-E164 PolarHBondContact O-N 2.79Å; E164-I166 VanDerWaalsContact C-N 3.29Å; E164-I166 PolarHBondContact O-N 2.86Å; E164-V167 PolarHBondContact O-N 3.09Å; E164-S168 WeakPolarHBondContact O-CB 3.1Å; E164-S168 PolarHBondContact O-N 2.88Å; E164-S168 PolarHBondContact O-OG 3.32Å; E164-I196 HydrophobicContact CG-CG2 4.28Å; E164-Q200 PolarHBondContact OE1-NE2 2.86Å
165W83.9Confident84.8Confident151 Ų15162.1 Ų62.157%0.57239%0.39SS*.Hα-helixtrans-60.8-40.6173.7176.971.6000111.7A161 S168 A169 I176A161-W165 WeakPolarHBondContact O-CB 3.2Å; A161-W165 PolarHBondContact O-N 3.14Å; W165-S168 WeakPolarHBondContact CA-OG 3.43Å; W165-S168 PolarHBondContact O-OG 3.2Å; W165-A169 WeakPolarHBondContact O-CB 2.89Å; W165-A169 PolarHBondContact O-N 2.69Å; W165-I176 HydrophobicContact CH2-CD1 3.98Å; W165-I176 HydrophobicContact CZ3-CD1 4.11Å
166I81.3Confident84.6Confident6 Ų661.8 Ų61.83%0.03139%0.386CS..Hα-helixtrans-66.8-43.9178-73165.7000111.3G162 G163 E164 S168 A169 G173 I176 F177 I180G162-I166 WeakPolarHBondContact O-CB 3.29Å; G162-I166 VanDerWaalsContact O-CD1 3.26Å; G162-I166 WeakPolarHBondContact O-CD1 3.15Å; G162-I166 WeakPolarHBondContact O-CG1 3.3Å; G162-I166 PolarHBondContact O-N 2.89Å; G163-I166 WeakPolarHBondContact O-CB 3.29Å; G163-I166 PolarHBondContact O-N 3.24Å; E164-I166 VanDerWaalsContact C-N 3.29Å; E164-I166 PolarHBondContact O-N 2.86Å; I166-S168 VanDerWaalsContact C-N 3.34Å; I166-S168 PolarHBondContact O-N 2.97Å; I166-A169 PolarHBondContact O-N 3.12Å; I166-G173 WeakPolarHBondContact CG2-O 3.14Å; I166-G173 WeakPolarHBondContact O-CA 3.33Å; I166-I176 HydrophobicContact CD1-CG2 4.05Å; I166-I176 HydrophobicContact CG1-CG2 4.05Å; I166-F177 HydrophobicContact CG2-CB 3.43Å; I166-F177 VanDerWaalsContact CG2-CB 3.43Å; I166-F177 HydrophobicContact CG2-CD2 3.97Å; I166-F177 HydrophobicContact CG2-CG 4.16Å; I166-I180 HydrophobicContact CD1-CD1 3.68Å
167V76.3Confident84.4Confident76 Ų7661 Ų6146%0.46138%0.382SS..Hα-helixtrans-65.5-39179.5173.60000111.2G163 E164 A169 A197G163-V167 WeakPolarHBondContact O-CG2 3.1Å; G163-V167 PolarHBondContact O-N 2.83Å; E164-V167 PolarHBondContact O-N 3.09Å; V167-A169 VanDerWaalsContact C-N 3.32Å; V167-A169 PolarHBondContact O-N 3.22Å; V167-A197 HydrophobicContact CG2-CB 3.96Å
168S81.1Confident84.3Confident97 Ų9756 Ų5668%0.67837%0.366SS*.Hα-helixtrans-72.6-19.4178.857.70000114.5E164 W165 I166 G170E164-S168 WeakPolarHBondContact O-CB 3.1Å; E164-S168 PolarHBondContact O-N 2.88Å; E164-S168 PolarHBondContact O-OG 3.32Å; W165-S168 WeakPolarHBondContact CA-OG 3.43Å; W165-S168 PolarHBondContact O-OG 3.2Å; I166-S168 VanDerWaalsContact C-N 3.34Å; I166-S168 PolarHBondContact O-N 2.97Å; S168-G170 PolarHBondContact O-N 2.93Å
169A84.2Confident84.4Confident38 Ų3859.3 Ų59.331%0.31437%0.369SS..THydrogen-bonded Turntrans-78.74.1-179.900000115W165 I166 V167 G173W165-A169 WeakPolarHBondContact O-CB 2.89Å; W165-A169 PolarHBondContact O-N 2.69Å; I166-A169 PolarHBondContact O-N 3.12Å; V167-A169 VanDerWaalsContact C-N 3.32Å; V167-A169 PolarHBondContact O-N 3.22Å; A169-G173 PolarHBondContact O-N 3.11Å
170G83.5Confident84.5Confident45 Ų4560.6 Ų60.646%0.46438%0.376SS..Hα-helixtrans63.3-134.3175.200000113.6S168 L172 G173 S174S168-G170 PolarHBondContact O-N 2.93Å; G170-L172 VanDerWaalsContact C-N 3.35Å; G170-L172 PolarHBondContact O-N 3.46Å; G170-G173 CarbonylContact O-C 3.58Å; G170-G173 WeakPolarHBondContact O-CA 3.29Å; G170-G173 PolarHBondContact O-N 3.43Å; G170-G173 VanDerWaalsContact O-N 3.09Å; G170-S174 PolarHBondContact O-N 3.49Å
171A84.9Confident84.7Confident95 Ų9559.1 Ų59.179%0.78537%0.37SS*.Hα-helixtrans-61.4-38.8-174.600000113.5G173 S174 G175A171-G173 VanDerWaalsContact C-N 3.34Å; A171-S174 PolarHBondContact O-N 2.75Å; A171-G175 PolarHBondContact O-N 2.89Å
172L86.5Confident84.9Confident120 Ų12066.2 Ų66.263%0.62839%0.388SS*.Hα-helixtrans-66.2-41.9174.8-172.9158.6000110.3G170 S174 G175 I176G170-L172 VanDerWaalsContact C-N 3.35Å; G170-L172 PolarHBondContact O-N 3.46Å; L172-S174 PolarHBondContact O-N 3.5Å; L172-G175 PolarHBondContact O-N 3.45Å; L172-G175 VanDerWaalsContact O-N 3.13Å; L172-I176 HydrophobicContact CD2-CD1 3.4Å; L172-I176 VanDerWaalsContact CD2-CD1 3.4Å; L172-I176 HydrophobicContact CD2-CG1 4.01Å; L172-I176 PolarHBondContact O-N 2.93Å
173G84.9Confident85.2Confident0 Ų070.1 Ų70.10%040%0.401CS..Hα-helixtrans-51.6-53.3171.300000112.7I166 A169 G170 A171 G175 I176 F177I166-G173 WeakPolarHBondContact CG2-O 3.14Å; I166-G173 WeakPolarHBondContact O-CA 3.33Å; A169-G173 PolarHBondContact O-N 3.11Å; G170-G173 CarbonylContact O-C 3.58Å; G170-G173 WeakPolarHBondContact O-CA 3.29Å; G170-G173 PolarHBondContact O-N 3.43Å; G170-G173 VanDerWaalsContact O-N 3.09Å; A171-G173 VanDerWaalsContact C-N 3.34Å; G173-G175 PolarHBondContact O-N 3.38Å; G173-I176 PolarHBondContact O-N 3.29Å; G173-I176 VanDerWaalsContact O-N 3.08Å; G173-F177 WeakPolarHBondContact O-CB 3.42Å; G173-F177 PolarHBondContact O-N 3.5Å
174S82.9Confident85.5Confident84 Ų8472 Ų7259%0.58741%0.411SS*.Hα-helixtrans-55.2-38.3176.6-172.40000113.1G170 A171 L172 F177 G178G170-S174 PolarHBondContact O-N 3.49Å; A171-S174 PolarHBondContact O-N 2.75Å; L172-S174 PolarHBondContact O-N 3.5Å; S174-F177 WeakPolarHBondContact O-CB 3.36Å; S174-G178 PolarHBondContact O-N 3.03Å
175G87.9Confident85.7Confident50 Ų5072.6 Ų72.652%0.51542%0.416SS..Hα-helixtrans-63.2-48.3174.400000113.3A171 L172 G173 G178 F179A171-G175 PolarHBondContact O-N 2.89Å; L172-G175 PolarHBondContact O-N 3.45Å; L172-G175 VanDerWaalsContact O-N 3.13Å; G173-G175 PolarHBondContact O-N 3.38Å; G175-G178 PolarHBondContact O-N 3.24Å; G175-F179 PolarHBondContact O-N 2.8Å; G175-F179 VanDerWaalsContact O-N 3.15Å
176I87.9Confident85.3Confident53 Ų5369.8 Ų69.827%0.27242%0.417SS..Hα-helixtrans-64.7-42.6176.6-65.4179.6000110.7W165 I166 L172 G173 G178 F179 I180W165-I176 HydrophobicContact CH2-CD1 3.98Å; W165-I176 HydrophobicContact CZ3-CD1 4.11Å; I166-I176 HydrophobicContact CD1-CG2 4.05Å; I166-I176 HydrophobicContact CG1-CG2 4.05Å; L172-I176 HydrophobicContact CD2-CD1 3.4Å; L172-I176 VanDerWaalsContact CD2-CD1 3.4Å; L172-I176 HydrophobicContact CD2-CG1 4.01Å; L172-I176 PolarHBondContact O-N 2.93Å; G173-I176 PolarHBondContact O-N 3.29Å; G173-I176 VanDerWaalsContact O-N 3.08Å; I176-G178 PolarHBondContact O-N 2.88Å; I176-F179 WeakPolarHBondContact O-CB 3.33Å; I176-F179 PolarHBondContact O-N 3.38Å; I176-F179 VanDerWaalsContact O-N 3.16Å; I176-I180 HydrophobicContact CG2-CD1 3.67Å; I176-I180 HydrophobicContact CG2-CG1 4.19Å; I176-I180 WeakPolarHBondContact O-CG1 3.43Å; I176-I180 PolarHBondContact O-N 3.46Å
177F87.5Confident85.5Confident20 Ų2072 Ų729%0.08843%0.431CS..Hα-helixtrans-53.4-54.2175.7-175.2-103.6000110.8I166 G173 S174 F179 I180 N181 L193 N194 A197 W198I166-F177 HydrophobicContact CG2-CB 3.43Å; I166-F177 VanDerWaalsContact CG2-CB 3.43Å; I166-F177 HydrophobicContact CG2-CD2 3.97Å; I166-F177 HydrophobicContact CG2-CG 4.16Å; G173-F177 WeakPolarHBondContact O-CB 3.42Å; G173-F177 PolarHBondContact O-N 3.5Å; S174-F177 WeakPolarHBondContact O-CB 3.36Å; F177-F179 PolarHBondContact O-N 2.84Å; F177-I180 PolarHBondContact O-N 3.32Å; F177-N181 HydrophobicContact CE1-CB 4.38Å; F177-N181 WeakPolarHBondContact O-CB 3.03Å; F177-N181 PolarHBondContact O-N 3.31Å; F177-L193 HydrophobicContact CD2-CD2 4.3Å; F177-L193 HydrophobicContact CD2-CG 4.32Å; F177-L193 HydrophobicContact CE2-CD1 4.2Å; F177-L193 HydrophobicContact CE2-CD2 4Å; F177-L193 HydrophobicContact CE2-CG 3.68Å; F177-L193 HydrophobicContact CZ-CG 4.44Å; F177-N194 WeakPolarHBondContact CZ-OD1 3.17Å; F177-A197 HydrophobicContact CD2-CB 4.01Å; F177-A197 HydrophobicContact CE1-CB 4.31Å; F177-A197 HydrophobicContact CE2-CB 3.22Å; F177-A197 HydrophobicContact CZ-CB 3.4Å; F177-A197 VanDerWaalsContact CZ-CB 3.4Å; F177-W198 AromaticContact CE1-NE1 3.75Å; F177-W198 AromaticContact CZ-NE1 3.82Å
178G86.4Confident85.8Confident27 Ų2768.6 Ų68.628%0.27841%0.412SS..Hα-helixtrans-59-37.2179.900000112.5S174 G175 I176 R182S174-G178 PolarHBondContact O-N 3.03Å; G175-G178 PolarHBondContact O-N 3.24Å; I176-G178 PolarHBondContact O-N 2.88Å; G178-R182 WeakPolarHBondContact O-CB 3.47Å; G178-R182 VanDerWaalsContact O-CG 3.23Å; G178-R182 WeakPolarHBondContact O-CG 3.47Å; G178-R182 PolarHBondContact O-N 3.41Å; G178-R182 VanDerWaalsContact O-N 3.15Å
179F90.6Very high86Confident133 Ų13365.1 Ų65.158%0.58339%0.385SS*.Hα-helixtrans-66.5-52.1176179.2-104.2000112.5G175 I176 F177 R182 L183G175-F179 PolarHBondContact O-N 2.8Å; G175-F179 VanDerWaalsContact O-N 3.15Å; I176-F179 WeakPolarHBondContact O-CB 3.33Å; I176-F179 PolarHBondContact O-N 3.38Å; I176-F179 VanDerWaalsContact O-N 3.16Å; F177-F179 PolarHBondContact O-N 2.84Å; F179-R182 PolarHBondContact O-N 3.25Å; F179-L183 HydrophobicContact CD1-CD1 3.97Å; F179-L183 HydrophobicContact CE1-CD1 3.42Å; F179-L183 VanDerWaalsContact CE1-CD1 3.42Å; F179-L183 HydrophobicContact CE1-CG 4.37Å; F179-L183 HydrophobicContact CE2-CD1 4.41Å; F179-L183 HydrophobicContact CZ-CD1 3.68Å; F179-L183 HydrophobicContact CZ-CG 4.34Å; F179-L183 WeakPolarHBondContact O-CG 3.33Å; F179-L183 PolarHBondContact O-N 3.46Å; F179-L183 VanDerWaalsContact O-N 3.09Å
180I89.1Confident86.2Confident57 Ų5764.9 Ų64.929%0.29238%0.378SS..Hα-helixtrans-65.2-43.2179.9-64.6176.4000110.7I166 I176 F177 R182 L183 L184 L193I166-I180 HydrophobicContact CD1-CD1 3.68Å; I176-I180 HydrophobicContact CG2-CD1 3.67Å; I176-I180 HydrophobicContact CG2-CG1 4.19Å; I176-I180 WeakPolarHBondContact O-CG1 3.43Å; I176-I180 PolarHBondContact O-N 3.46Å; F177-I180 PolarHBondContact O-N 3.32Å; I180-R182 VanDerWaalsContact C-N 3.27Å; I180-R182 PolarHBondContact O-N 3.45Å; I180-L183 WeakPolarHBondContact O-CB 3.27Å; I180-L183 PolarHBondContact O-N 2.91Å; I180-L184 HydrophobicContact CG2-CD1 3.79Å; I180-L184 HydrophobicContact CG2-CG 4.18Å; I180-L184 WeakPolarHBondContact O-CG 3.44Å; I180-L184 PolarHBondContact O-N 3.5Å; I180-L193 HydrophobicContact CB-CD2 4.28Å; I180-L193 HydrophobicContact CG2-CD2 3.73Å
181N88.5Confident86.2Confident34 Ų3466.7 Ų66.718%0.18237%0.374CS..Hα-helixtrans-55.2-44.8177.2-171.851.5000110.8F177 L184 I185 H190 L193 N194F177-N181 HydrophobicContact CE1-CB 4.38Å; F177-N181 WeakPolarHBondContact O-CB 3.03Å; F177-N181 PolarHBondContact O-N 3.31Å; N181-L184 PolarHBondContact O-N 3.26Å; N181-I185 WeakPolarHBondContact O-CG1 3.48Å; N181-I185 PolarHBondContact O-N 3.08Å; N181-H190 VanDerWaalsContact OD1-CB 3.31Å; N181-H190 WeakPolarHBondContact OD1-CB 3.28Å; N181-L193 HydrophobicContact CB-CD2 4.28Å; N181-N194 PolarHBondContact OD1-ND2 2.95Å; N181-N194 PolarHBondContact OD1-OD1 2.9Å
182R89.6Confident86Confident194 Ų19462.8 Ų62.873%0.73234%0.34SS*.Hα-helixtrans-62.6-41.5174.5-76174.3-178.4-172.62.1113.1G178 F179 I180 L184 I185G178-R182 WeakPolarHBondContact O-CB 3.47Å; G178-R182 VanDerWaalsContact O-CG 3.23Å; G178-R182 WeakPolarHBondContact O-CG 3.47Å; G178-R182 PolarHBondContact O-N 3.41Å; G178-R182 VanDerWaalsContact O-N 3.15Å; F179-R182 PolarHBondContact O-N 3.25Å; I180-R182 VanDerWaalsContact C-N 3.27Å; I180-R182 PolarHBondContact O-N 3.45Å; R182-L184 VanDerWaalsContact C-N 3.27Å; R182-L184 PolarHBondContact O-N 2.82Å; R182-I185 HydrophobicContact CB-CD1 4.49Å; R182-I185 HydrophobicContact CG-CD1 4.42Å; R182-I185 PolarHBondContact O-N 3.09Å
183L88.7Confident85.8Confident109 Ų10957.3 Ų57.357%0.57131%0.312SS*.Hα-helixtrans-65.3-30.5177.3-70.9177.7000112.9F179 I180 P186F179-L183 HydrophobicContact CD1-CD1 3.97Å; F179-L183 HydrophobicContact CE1-CD1 3.42Å; F179-L183 VanDerWaalsContact CE1-CD1 3.42Å; F179-L183 HydrophobicContact CE1-CG 4.37Å; F179-L183 HydrophobicContact CE2-CD1 4.41Å; F179-L183 HydrophobicContact CZ-CD1 3.68Å; F179-L183 HydrophobicContact CZ-CG 4.34Å; F179-L183 WeakPolarHBondContact O-CG 3.33Å; F179-L183 PolarHBondContact O-N 3.46Å; F179-L183 VanDerWaalsContact O-N 3.09Å; I180-L183 WeakPolarHBondContact O-CB 3.27Å; I180-L183 PolarHBondContact O-N 2.91Å; L183-P186 WeakPolarHBondContact O-CD 3.46Å
184L87.8Confident85.8Confident40 Ų4058.8 Ų58.821%0.20932%0.319CS..THydrogen-bonded Turntrans-90.92.2-179.9-62.6178.7000114I180 N181 R182 T187 G188 L189 H190 L193I180-L184 HydrophobicContact CG2-CD1 3.79Å; I180-L184 HydrophobicContact CG2-CG 4.18Å; I180-L184 WeakPolarHBondContact O-CG 3.44Å; I180-L184 PolarHBondContact O-N 3.5Å; N181-L184 PolarHBondContact O-N 3.26Å; R182-L184 VanDerWaalsContact C-N 3.27Å; R182-L184 PolarHBondContact O-N 2.82Å; L184-T187 PolarHBondContact O-OG1 3.25Å; L184-G188 PolarHBondContact O-N 2.99Å; L184-L189 HydrophobicContact CB-CB 4.2Å; L184-L189 HydrophobicContact CD1-CB 4.23Å; L184-L189 HydrophobicContact CD2-CB 4.12Å; L184-L189 HydrophobicContact CD2-CD1 4.36Å; L184-L189 HydrophobicContact CG-CB 4.42Å; L184-L189 PolarHBondContact O-N 3.07Å; L184-H190 HydrophobicContact CB-CB 3.95Å; L184-H190 PolarHBondContact O-N 3.48Å; L184-H190 PolarHBondContact O-ND1 3.11Å; L184-L193 HydrophobicContact CD1-CB 4.43Å; L184-L193 HydrophobicContact CD1-CD2 4.1Å
185I86.2Confident85.4Confident95 Ų9558.5 Ų58.549%0.48731%0.314SS..THydrogen-bonded Turntrans-56.3-51.3173.7-66.3174000111.3N181 R182 T187 G188 H190N181-I185 WeakPolarHBondContact O-CG1 3.48Å; N181-I185 PolarHBondContact O-N 3.08Å; R182-I185 HydrophobicContact CB-CD1 4.49Å; R182-I185 HydrophobicContact CG-CD1 4.42Å; R182-I185 PolarHBondContact O-N 3.09Å; I185-T187 VanDerWaalsContact C-N 3.26Å; I185-T187 PolarHBondContact O-N 3.47Å; I185-G188 PolarHBondContact O-N 2.91Å; I185-G188 VanDerWaalsContact O-N 3.15Å; I185-H190 WeakPolarHBondContact CA-ND1 3.39Å
186P76.3Confident84.7Confident92 Ų9256.9 Ų56.960%0.59729%0.294SS*.THydrogen-bonded Turntrans-64.7-27-173.5-22.435.2000114.3L183L183-P186 WeakPolarHBondContact O-CD 3.46Å
187T83.6Confident83.8Confident52 Ų5255.5 Ų55.532%0.31929%0.29SS..THydrogen-bonded Turntrans-92.3-12-179.558.40000112.9L184 I185 L189L184-T187 PolarHBondContact O-OG1 3.25Å; I185-T187 VanDerWaalsContact C-N 3.26Å; I185-T187 PolarHBondContact O-N 3.47Å; T187-L189 PolarHBondContact O-N 3.35Å; T187-L189 PolarHBondContact OG1-N 3.03Å
188G83.2Confident82.6Confident6 Ų663.1 Ų63.16%0.06232%0.319CS..SBendtrans74.9-2.4-173.300000114.6L184 I185 H190 Q191L184-G188 PolarHBondContact O-N 2.99Å; I185-G188 PolarHBondContact O-N 2.91Å; I185-G188 VanDerWaalsContact O-N 3.15Å; G188-H190 WeakPolarHBondContact CA-ND1 3.46Å; G188-H190 PolarHBondContact O-N 3.01Å; G188-Q191 PolarHBondContact O-N 2.91Å
189L85.8Confident81.2Confident23 Ų2369.9 Ų69.912%0.1234%0.34CS..THydrogen-bonded Turntrans-68.7-15.9179.1-69.9177000113.3L99 W152 L184 T187 Q191 V192 L193L99-L189 HydrophobicContact CB-CD2 3.9Å; L99-L189 HydrophobicContact CB-CG 4.45Å; L99-L189 HydrophobicContact CD2-CD1 4.27Å; L99-L189 HydrophobicContact CD2-CD2 3.9Å; L99-L189 HydrophobicContact CD2-CG 4.34Å; W152-L189 HydrophobicContact CH2-CD1 4.27Å; W152-L189 HydrophobicContact CH2-CD2 3.52Å; W152-L189 HydrophobicContact CZ2-CD2 3.81Å; L184-L189 HydrophobicContact CB-CB 4.2Å; L184-L189 HydrophobicContact CD1-CB 4.23Å; L184-L189 HydrophobicContact CD2-CB 4.12Å; L184-L189 HydrophobicContact CD2-CD1 4.36Å; L184-L189 HydrophobicContact CG-CB 4.42Å; L184-L189 PolarHBondContact O-N 3.07Å; T187-L189 PolarHBondContact O-N 3.35Å; T187-L189 PolarHBondContact OG1-N 3.03Å; L189-Q191 PolarHBondContact O-N 3.1Å; L189-V192 HydrophobicContact CD2-CG2 4.41Å; L189-V192 WeakPolarHBondContact O-CB 3.22Å; L189-V192 PolarHBondContact O-N 3.4Å; L189-V192 VanDerWaalsContact O-N 3.08Å; L189-L193 PolarHBondContact O-N 3.22Å; L189-L193 VanDerWaalsContact O-N 3.11Å
190H88.7Confident79.2Confident34 Ų3471 Ų7116%0.15735%0.348CS..Hα-helixtrans-55.7-29.2170.871-87.5000112.5N181 L184 I185 G188 L193 N194N181-H190 VanDerWaalsContact OD1-CB 3.31Å; N181-H190 WeakPolarHBondContact OD1-CB 3.28Å; L184-H190 HydrophobicContact CB-CB 3.95Å; L184-H190 PolarHBondContact O-N 3.48Å; L184-H190 PolarHBondContact O-ND1 3.11Å; I185-H190 WeakPolarHBondContact CA-ND1 3.39Å; G188-H190 WeakPolarHBondContact CA-ND1 3.46Å; G188-H190 PolarHBondContact O-N 3.01Å; H190-L193 PolarHBondContact O-N 3.19Å; H190-N194 VanDerWaalsContact O-CB 3.28Å; H190-N194 WeakPolarHBondContact O-CB 3.15Å; H190-N194 PolarHBondContact O-N 3.16Å; H190-N194 PolarHBondContact O-ND2 3.29Å
191Q82.9Confident78.7Confident82 Ų8271.7 Ų71.738%0.38335%0.35SS..Hα-helixtrans-65.2-45.9175-66-64.2-22.200111.4G188 L189 L193 N194 T195G188-Q191 PolarHBondContact O-N 2.91Å; L189-Q191 PolarHBondContact O-N 3.1Å; Q191-L193 VanDerWaalsContact C-N 3.28Å; Q191-L193 PolarHBondContact O-N 3.2Å; Q191-N194 PolarHBondContact O-N 2.89Å; Q191-T195 PolarHBondContact O-N 3.04Å; Q191-T195 PolarHBondContact O-OG1 2.87Å; Q191-T195 VanDerWaalsContact O-OG1 3.05Å
192V81.8Confident78.1Confident14 Ų1473.7 Ų73.79%0.08536%0.359CS..Hα-helixtrans-59.5-43.2175.9-177.50000110.1I159 L189 I196I159-V192 HydrophobicContact CG2-CG1 4.22Å; L189-V192 HydrophobicContact CD2-CG2 4.41Å; L189-V192 WeakPolarHBondContact O-CB 3.22Å; L189-V192 PolarHBondContact O-N 3.4Å; L189-V192 VanDerWaalsContact O-N 3.08Å; V192-I196 WeakPolarHBondContact O-CD1 3.39Å; V192-I196 WeakPolarHBondContact O-CG1 3.31Å
193L82.2Confident77.5Confident5 Ų567 Ų673%0.02634%0.339CS..Hα-helixtrans-65.2-43.1176.5-17865.3000112.7I159 F177 I180 N181 L184 L189 H190 Q191 I196 A197I159-L193 HydrophobicContact CG2-CD1 4.45Å; F177-L193 HydrophobicContact CD2-CD2 4.3Å; F177-L193 HydrophobicContact CD2-CG 4.32Å; F177-L193 HydrophobicContact CE2-CD1 4.2Å; F177-L193 HydrophobicContact CE2-CD2 4Å; F177-L193 HydrophobicContact CE2-CG 3.68Å; F177-L193 HydrophobicContact CZ-CG 4.44Å; I180-L193 HydrophobicContact CB-CD2 4.28Å; I180-L193 HydrophobicContact CG2-CD2 3.73Å; N181-L193 HydrophobicContact CB-CD2 4.28Å; L184-L193 HydrophobicContact CD1-CB 4.43Å; L184-L193 HydrophobicContact CD1-CD2 4.1Å; L189-L193 PolarHBondContact O-N 3.22Å; L189-L193 VanDerWaalsContact O-N 3.11Å; H190-L193 PolarHBondContact O-N 3.19Å; Q191-L193 VanDerWaalsContact C-N 3.28Å; Q191-L193 PolarHBondContact O-N 3.2Å; L193-I196 WeakPolarHBondContact O-CB 3.38Å; L193-I196 PolarHBondContact O-N 2.83Å; L193-A197 PolarHBondContact O-N 3.2Å
194N84.1Confident76.9Confident30 Ų3064.5 Ų64.516%0.1633%0.325CS..Hα-helixtrans-67.5-35.4-179.3-75.5-24.5000112.4F177 N181 H190 Q191 I196 A197 W198F177-N194 WeakPolarHBondContact CZ-OD1 3.17Å; N181-N194 PolarHBondContact OD1-ND2 2.95Å; N181-N194 PolarHBondContact OD1-OD1 2.9Å; H190-N194 VanDerWaalsContact O-CB 3.28Å; H190-N194 WeakPolarHBondContact O-CB 3.15Å; H190-N194 PolarHBondContact O-N 3.16Å; H190-N194 PolarHBondContact O-ND2 3.29Å; Q191-N194 PolarHBondContact O-N 2.89Å; N194-I196 PolarHBondContact O-N 3.04Å; N194-A197 PolarHBondContact O-N 3.02Å; N194-W198 PolarHBondContact O-N 2.78Å; N194-W198 VanDerWaalsContact O-N 3.1Å
195T74.8Confident76.2Confident78 Ų7866.1 Ų66.148%0.47933%0.332SS..Hα-helixtrans-57.2-35.7175.6-56.80000111.2Q191 F199Q191-T195 PolarHBondContact O-N 3.04Å; Q191-T195 PolarHBondContact O-OG1 2.87Å; Q191-T195 VanDerWaalsContact O-OG1 3.05Å; T195-F199 WeakPolarHBondContact O-CB 3.34Å; T195-F199 PolarHBondContact O-N 3.26Å
196I72.3Confident75.5Confident16 Ų1664.1 Ų64.18%0.08232%0.322CS..Hα-helixtrans-73.7-45.2179.1-57.4155.5000110.9I159 H160 E164 V192 L193 N194 Q200I159-I196 HydrophobicContact CG2-CD1 4.09Å; H160-I196 HydrophobicContact CB-CD1 4.26Å; E164-I196 HydrophobicContact CG-CG2 4.28Å; V192-I196 WeakPolarHBondContact O-CD1 3.39Å; V192-I196 WeakPolarHBondContact O-CG1 3.31Å; L193-I196 WeakPolarHBondContact O-CB 3.38Å; L193-I196 PolarHBondContact O-N 2.83Å; N194-I196 PolarHBondContact O-N 3.04Å; I196-Q200 WeakPolarHBondContact O-CB 3.43Å; I196-Q200 VanDerWaalsContact O-CG 3.24Å; I196-Q200 WeakPolarHBondContact O-CG 3.23Å; I196-Q200 PolarHBondContact O-OE1 3.08Å
197A69Low75.4Confident24 Ų2462.1 Ų62.120%0.19830%0.302CS..Hα-helixtrans-76.4-25.3-172.900000115.5V167 F177 L193 N194V167-A197 HydrophobicContact CG2-CB 3.96Å; F177-A197 HydrophobicContact CD2-CB 4.01Å; F177-A197 HydrophobicContact CE1-CB 4.31Å; F177-A197 HydrophobicContact CE2-CB 3.22Å; F177-A197 HydrophobicContact CZ-CB 3.4Å; F177-A197 VanDerWaalsContact CZ-CB 3.4Å; L193-A197 PolarHBondContact O-N 3.2Å; N194-A197 PolarHBondContact O-N 3.02Å
198W62Low74.8Confident181 Ų18162.9 Ų62.969%0.68630%0.301SS*.Hα-helixtrans-115.2-13.6-171.7-61.7102.5000114.7F177 N194F177-W198 AromaticContact CE1-NE1 3.75Å; F177-W198 AromaticContact CZ-NE1 3.82Å; N194-W198 PolarHBondContact O-N 2.78Å; N194-W198 VanDerWaalsContact O-N 3.1Å
199F58Low74.1Confident168 Ų16867.7 Ų67.774%0.73732%0.321SS*.Hα-helixtrans-124.711.9-176.7-55.2-89.1000113.7T195T195-F199 WeakPolarHBondContact O-CB 3.34Å; T195-F199 PolarHBondContact O-N 3.26Å
200Q47.9Very low73.1Confident157 Ų15771.7 Ų71.773%0.73434%0.339SS*.  trans-85.20159-72.1-170-41.600110.8H160 E164 I196H160-Q200 PolarHBondContact CE1-NE2 3.1Å; E164-Q200 PolarHBondContact OE1-NE2 2.86Å; I196-Q200 WeakPolarHBondContact O-CB 3.43Å; I196-Q200 VanDerWaalsContact O-CG 3.24Å; I196-Q200 WeakPolarHBondContact O-CG 3.23Å; I196-Q200 PolarHBondContact O-OE1 3.08Å

Retrieved 200 of 200 residues in 41.4 ms (Link to these results)

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