G4VJT0_SCHMA Loading...

Protein MIS12 homolog

AlphaFold DB , UniProt , Accession G4VJT0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 221 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
1M45.3Very low70.5Confident209 Ų20970.1 Ų70.1100%1.0341%0.413SS*.  0124.60-73.2166.978.800106.8D5M1-D5 WeakPolarHBondContact CA-OD2 3.36Å; M1-D5 WeakPolarHBondContact CB-OD2 3.25Å
2S55.1Low71.7Confident46 Ų4674.7 Ų74.732%0.32242%0.424SS..  trans-68149.9174.989.30000108.5L4 D5S2-L4 PolarHBondContact O-N 3.41Å; S2-L4 PolarHBondContact OG-N 2.86Å; S2-D5 WeakPolarHBondContact CB-OD1 3.33Å; S2-D5 PolarHBondContact N-OD2 3.41Å; S2-D5 PolarHBondContact O-N 2.97Å; S2-D5 VanDerWaalsContact O-N 3.08Å; S2-D5 PolarHBondContact OG-OD1 3.46Å
3S64.5Low72.7Confident113 Ų11380 Ų8079%0.7944%0.44SS*.THydrogen-bonded Turntrans-57.6-13.617855.10000113.5
4L68.7Low73.5Confident8 Ų877.6 Ų77.64%0.04243%0.426CS..THydrogen-bonded Turntrans-103.1-0.3-176.6-75.5163.2000113.8S2 P7 A8 R95 E143 I146S2-L4 PolarHBondContact O-N 3.41Å; S2-L4 PolarHBondContact OG-N 2.86Å; L4-P7 HydrophobicContact CD2-CG 4.22Å; L4-P7 WeakPolarHBondContact O-CD 3.37Å; L4-A8 PolarHBondContact O-N 2.91Å; L4-R95 VanDerWaalsContact CD1-CZ 3.42Å; L4-R95 VanDerWaalsContact CD1-NE 3.34Å; L4-R95 VanDerWaalsContact CD1-NH2 3.3Å; L4-E143 HydrophobicContact CD1-CG 3.86Å; L4-I146 HydrophobicContact CD2-CG2 3.55Å
5D72Confident74.2Confident54 Ų5475 Ų7529%0.28941%0.413SS..Hα-helixtrans-68.2-39.6174.9-60.1-10.5000111M1 S2 A8 D9M1-D5 WeakPolarHBondContact CA-OD2 3.36Å; M1-D5 WeakPolarHBondContact CB-OD2 3.25Å; S2-D5 WeakPolarHBondContact CB-OD1 3.33Å; S2-D5 PolarHBondContact N-OD2 3.41Å; S2-D5 PolarHBondContact O-N 2.97Å; S2-D5 VanDerWaalsContact O-N 3.08Å; S2-D5 PolarHBondContact OG-OD1 3.46Å; D5-A8 PolarHBondContact O-N 2.79Å; D5-D9 PolarHBondContact O-N 3.4Å; D5-D9 VanDerWaalsContact O-N 3.11Å
6A75.2Confident75.1Confident59 Ų5976.8 Ų76.849%0.48842%0.422SS..Hα-helixtrans-65.9-44.8179.500000113.4A8 D9 L10A6-A8 VanDerWaalsContact C-N 3.31Å; A6-A8 PolarHBondContact O-N 3.23Å; A6-D9 PolarHBondContact O-N 3.15Å; A6-L10 WeakPolarHBondContact O-CB 2.99Å; A6-L10 WeakPolarHBondContact O-CG 3.39Å; A6-L10 PolarHBondContact O-N 3.41Å
7P74Confident75.7Confident47 Ų4777.8 Ų77.831%0.30543%0.431SS..Hα-helixtrans-55.3-40.5169.8-31.136.6000114.2L4 L10 F11L4-P7 HydrophobicContact CD2-CG 4.22Å; L4-P7 WeakPolarHBondContact O-CD 3.37Å; P7-L10 PolarHBondContact O-N 2.98Å; P7-F11 VanDerWaalsContact O-CB 3.31Å; P7-F11 WeakPolarHBondContact O-CB 3.33Å; P7-F11 PolarHBondContact O-N 3.46Å
8A77.4Confident76.3Confident20 Ų2073.5 Ų73.517%0.16541%0.407CS..Hα-helixtrans-67.1-40.3179.100000112.3L4 D5 A6 F11 K12 F92L4-A8 PolarHBondContact O-N 2.91Å; D5-A8 PolarHBondContact O-N 2.79Å; A6-A8 VanDerWaalsContact C-N 3.31Å; A6-A8 PolarHBondContact O-N 3.23Å; A8-F11 PolarHBondContact O-N 3.37Å; A8-K12 WeakPolarHBondContact O-CG 3.03Å; A8-K12 PolarHBondContact O-N 3.35Å; A8-F92 HydrophobicContact CB-CD1 3.88Å; A8-F92 HydrophobicContact CB-CE1 3.98Å
9D80.5Confident76.8Confident83 Ų8372.7 Ų72.744%0.44440%0.404SS..Hα-helixtrans-69.1-39176.7-76.6-18.6000112.3D5 A6 K12 K13D5-D9 PolarHBondContact O-N 3.4Å; D5-D9 VanDerWaalsContact O-N 3.11Å; A6-D9 PolarHBondContact O-N 3.15Å; D9-K12 PolarHBondContact O-N 3.04Å; D9-K13 WeakPolarHBondContact O-CG 3.11Å; D9-K13 PolarHBondContact O-N 2.85Å; D9-K13 VanDerWaalsContact O-N 3.15Å
10L79.5Confident77.4Confident112 Ų11272.9 Ų72.959%0.58641%0.407SS*.Hα-helixtrans-62.3-43.8172-75.6167.2000111.2A6 P7 K12 K13 L14A6-L10 WeakPolarHBondContact O-CB 2.99Å; A6-L10 WeakPolarHBondContact O-CG 3.39Å; A6-L10 PolarHBondContact O-N 3.41Å; P7-L10 PolarHBondContact O-N 2.98Å; L10-K12 PolarHBondContact O-N 3.43Å; L10-K13 WeakPolarHBondContact O-CB 3.14Å; L10-K13 PolarHBondContact O-N 2.95Å; L10-L14 PolarHBondContact O-N 2.81Å
11F83Confident77.8Confident20 Ų2071.4 Ų71.49%0.08840%0.395CS..Hα-helixtrans-58.9-46.8176.3177.9-102.8000111.7P7 A8 K13 L14 V15 L85 I88 N89 F92P7-F11 VanDerWaalsContact O-CB 3.31Å; P7-F11 WeakPolarHBondContact O-CB 3.33Å; P7-F11 PolarHBondContact O-N 3.46Å; A8-F11 PolarHBondContact O-N 3.37Å; F11-K13 VanDerWaalsContact C-N 3.31Å; F11-K13 PolarHBondContact O-N 3.22Å; F11-L14 WeakPolarHBondContact O-CB 3.4Å; F11-L14 PolarHBondContact O-N 2.99Å; F11-L14 VanDerWaalsContact O-N 3.15Å; F11-V15 HydrophobicContact CD1-CG2 4.02Å; F11-V15 HydrophobicContact CD2-CG2 4.35Å; F11-V15 HydrophobicContact CE1-CG2 3.55Å; F11-V15 HydrophobicContact CE2-CG2 3.91Å; F11-V15 HydrophobicContact CG-CG2 4.39Å; F11-V15 HydrophobicContact CZ-CG2 3.47Å; F11-V15 VanDerWaalsContact CZ-CG2 3.47Å; F11-V15 VanDerWaalsContact O-CG2 3.27Å; F11-V15 WeakPolarHBondContact O-CG2 3.01Å; F11-V15 PolarHBondContact O-N 3.13Å; F11-L85 HydrophobicContact CE2-CD2 3.85Å; F11-L85 HydrophobicContact CZ-CB 4.39Å; F11-L85 HydrophobicContact CZ-CD2 4.09Å; F11-I88 HydrophobicContact CD2-CG2 3.95Å; F11-I88 HydrophobicContact CE1-CG2 4.12Å; F11-I88 HydrophobicContact CE2-CB 3.86Å; F11-I88 HydrophobicContact CE2-CD1 4.26Å; F11-I88 HydrophobicContact CE2-CG2 3.33Å; F11-I88 HydrophobicContact CZ-CB 3.65Å; F11-I88 HydrophobicContact CZ-CG2 3.44Å; F11-I88 VanDerWaalsContact CZ-CG2 3.44Å; F11-N89 HydrophobicContact CE1-CB 3.98Å; F11-F92 HydrophobicContact CB-CE2 4.04Å; F11-F92 HydrophobicContact CB-CZ 4.32Å; F11-F92 HydrophobicContact CD1-CD2 4.04Å; F11-F92 AromaticContact CD1-CE2 3.87Å; F11-F92 HydrophobicContact CD1-CE2 3.87Å; F11-F92 HydrophobicContact CD2-CE2 4.3Å; F11-F92 HydrophobicContact CE1-CD2 4.42Å; F11-F92 HydrophobicContact CE1-CE2 4.45Å; F11-F92 HydrophobicContact CG-CD2 4.43Å; F11-F92 AromaticContact CG-CE2 3.79Å; F11-F92 HydrophobicContact CG-CE2 3.79Å
12K85.3Confident79.8Confident125 Ų12562.9 Ų62.954%0.54335%0.354SS..Hα-helixtrans-58.3-41.2176.1-73.6172.9-173.4164.80112.8A8 D9 L10 V15 N16A8-K12 WeakPolarHBondContact O-CG 3.03Å; A8-K12 PolarHBondContact O-N 3.35Å; D9-K12 PolarHBondContact O-N 3.04Å; L10-K12 PolarHBondContact O-N 3.43Å; K12-V15 PolarHBondContact O-N 2.79Å; K12-N16 PolarHBondContact O-N 3.45Å; K12-N16 VanDerWaalsContact O-N 3.1Å
13K85.2Confident81.4Confident144 Ų14467 Ų6763%0.62637%0.366SS*.Hα-helixtrans-63.5-45.8175.7-71.4175.5-177.81780111.2D9 L10 F11 V15 N16 V17D9-K13 WeakPolarHBondContact O-CG 3.11Å; D9-K13 PolarHBondContact O-N 2.85Å; D9-K13 VanDerWaalsContact O-N 3.15Å; L10-K13 WeakPolarHBondContact O-CB 3.14Å; L10-K13 PolarHBondContact O-N 2.95Å; F11-K13 VanDerWaalsContact C-N 3.31Å; F11-K13 PolarHBondContact O-N 3.22Å; K13-V15 PolarHBondContact O-N 2.91Å; K13-N16 PolarHBondContact O-N 3.07Å; K13-V17 WeakPolarHBondContact O-CG2 3.45Å; K13-V17 PolarHBondContact O-N 2.82Å
14L82.6Confident82.4Confident47 Ų4765.4 Ų65.425%0.24635%0.352CS..Hα-helixtrans-59.3-46.2177.4179.964.3000111.3L10 F11 N16 V17 L18 L157L10-L14 PolarHBondContact O-N 2.81Å; F11-L14 WeakPolarHBondContact O-CB 3.4Å; F11-L14 PolarHBondContact O-N 2.99Å; F11-L14 VanDerWaalsContact O-N 3.15Å; L14-N16 VanDerWaalsContact C-N 3.29Å; L14-N16 PolarHBondContact O-N 2.83Å; L14-V17 PolarHBondContact O-N 3.24Å; L14-L18 HydrophobicContact CD1-CD1 3.86Å; L14-L18 HydrophobicContact CD1-CG 4Å; L14-L18 HydrophobicContact CD2-CD1 4.4Å; L14-L18 HydrophobicContact CG-CD1 3.76Å; L14-L18 HydrophobicContact CG-CG 4.28Å; L14-L18 WeakPolarHBondContact O-CB 3.48Å; L14-L18 WeakPolarHBondContact O-CG 3.41Å; L14-L18 PolarHBondContact O-N 3.31Å; L14-L157 HydrophobicContact CD2-CD1 4.24Å
15V85.3Confident83Confident38 Ų3865.7 Ų65.723%0.2335%0.353CS..Hα-helixtrans-55.2-47.1175.5171.70000110.6F11 K12 K13 V17 L18 T19 L85F11-V15 HydrophobicContact CD1-CG2 4.02Å; F11-V15 HydrophobicContact CD2-CG2 4.35Å; F11-V15 HydrophobicContact CE1-CG2 3.55Å; F11-V15 HydrophobicContact CE2-CG2 3.91Å; F11-V15 HydrophobicContact CG-CG2 4.39Å; F11-V15 HydrophobicContact CZ-CG2 3.47Å; F11-V15 VanDerWaalsContact CZ-CG2 3.47Å; F11-V15 VanDerWaalsContact O-CG2 3.27Å; F11-V15 WeakPolarHBondContact O-CG2 3.01Å; F11-V15 PolarHBondContact O-N 3.13Å; K12-V15 PolarHBondContact O-N 2.79Å; K13-V15 PolarHBondContact O-N 2.91Å; V15-V17 PolarHBondContact O-N 3.2Å; V15-L18 PolarHBondContact O-N 3.06Å; V15-T19 HydrophobicContact CG1-CG2 4.28Å; V15-T19 WeakPolarHBondContact O-CB 3.43Å; V15-T19 WeakPolarHBondContact O-CG2 3.35Å; V15-T19 PolarHBondContact O-N 2.72Å; V15-T19 PolarHBondContact O-OG1 2.89Å; V15-L85 HydrophobicContact CB-CD1 4.35Å; V15-L85 HydrophobicContact CG1-CD1 4.25Å; V15-L85 HydrophobicContact CG2-CB 4.22Å; V15-L85 HydrophobicContact CG2-CD1 4.06Å; V15-L85 HydrophobicContact CG2-CD2 4.13Å; V15-L85 HydrophobicContact CG2-CG 4.36Å
16N87.8Confident83.6Confident104 Ų10465.8 Ų65.856%0.55635%0.353SS*.Hα-helixtrans-63.9-42.2-179.2-166.637.6000112.3K12 K13 L14 T19 T20K12-N16 PolarHBondContact O-N 3.45Å; K12-N16 VanDerWaalsContact O-N 3.1Å; K13-N16 PolarHBondContact O-N 3.07Å; L14-N16 VanDerWaalsContact C-N 3.29Å; L14-N16 PolarHBondContact O-N 2.83Å; N16-T19 PolarHBondContact O-OG1 2.81Å; N16-T20 VanDerWaalsContact O-CB 3.27Å; N16-T20 WeakPolarHBondContact O-CB 3.46Å; N16-T20 PolarHBondContact O-N 2.83Å; N16-T20 PolarHBondContact O-OG1 3.45Å
17V85.7Confident84.1Confident94 Ų9467.9 Ų67.957%0.5735%0.353SS*.Hα-helixtrans-63-49.6176.71720000111K13 L14 V15 T20 W21K13-V17 WeakPolarHBondContact O-CG2 3.45Å; K13-V17 PolarHBondContact O-N 2.82Å; L14-V17 PolarHBondContact O-N 3.24Å; V15-V17 PolarHBondContact O-N 3.2Å; V17-T20 PolarHBondContact O-N 3.03Å; V17-W21 WeakPolarHBondContact O-CB 3.4Å; V17-W21 PolarHBondContact O-N 3.22Å
18L85.4Confident84.3Confident0 Ų069.2 Ų69.20%035%0.354CS..Hα-helixtrans-65.9-42.6-177.1-69174.2000112.5L14 V15 W21 L22 L78 I81 L85 L161L14-L18 HydrophobicContact CD1-CD1 3.86Å; L14-L18 HydrophobicContact CD1-CG 4Å; L14-L18 HydrophobicContact CD2-CD1 4.4Å; L14-L18 HydrophobicContact CG-CD1 3.76Å; L14-L18 HydrophobicContact CG-CG 4.28Å; L14-L18 WeakPolarHBondContact O-CB 3.48Å; L14-L18 WeakPolarHBondContact O-CG 3.41Å; L14-L18 PolarHBondContact O-N 3.31Å; V15-L18 PolarHBondContact O-N 3.06Å; L18-W21 PolarHBondContact O-N 3.48Å; L18-L22 WeakPolarHBondContact O-CB 3.41Å; L18-L22 PolarHBondContact O-N 3.41Å; L18-L78 HydrophobicContact CB-CD1 4.44Å; L18-L78 HydrophobicContact CD2-CD1 3.81Å; L18-I81 HydrophobicContact CD1-CG2 3.92Å; L18-L85 HydrophobicContact CB-CD1 4.37Å; L18-L85 HydrophobicContact CD1-CD1 4.2Å; L18-L85 HydrophobicContact CD1-CD2 4.43Å; L18-L161 HydrophobicContact CD2-CD1 4.02Å; L18-L161 HydrophobicContact CD2-CD2 3.96Å
19T87.3Confident84.4Confident58 Ų5869.1 Ų69.136%0.35635%0.352SS..Hα-helixtrans-68.6-37.217851.40000112.4V15 N16 L22 K23V15-T19 HydrophobicContact CG1-CG2 4.28Å; V15-T19 WeakPolarHBondContact O-CB 3.43Å; V15-T19 WeakPolarHBondContact O-CG2 3.35Å; V15-T19 PolarHBondContact O-N 2.72Å; V15-T19 PolarHBondContact O-OG1 2.89Å; N16-T19 PolarHBondContact O-OG1 2.81Å; T19-L22 PolarHBondContact O-N 3.07Å; T19-K23 PolarHBondContact O-N 2.89Å; T19-K23 VanDerWaalsContact O-N 3.09Å
20T88.8Confident84.4Confident76 Ų7671.3 Ų71.347%0.46636%0.357SS..Hα-helixtrans-62.6-46.4171.8-60.10000110.6N16 V17 L22 K23 T24N16-T20 VanDerWaalsContact O-CB 3.27Å; N16-T20 WeakPolarHBondContact O-CB 3.46Å; N16-T20 PolarHBondContact O-N 2.83Å; N16-T20 PolarHBondContact O-OG1 3.45Å; V17-T20 PolarHBondContact O-N 3.03Å; T20-L22 VanDerWaalsContact C-N 3.34Å; T20-L22 PolarHBondContact O-N 3.31Å; T20-K23 WeakPolarHBondContact O-CB 3.47Å; T20-K23 PolarHBondContact O-N 3.45Å; T20-T24 PolarHBondContact O-N 3.16Å; T20-T24 PolarHBondContact O-OG1 3.09Å
21W84.8Confident84.4Confident43 Ų4372.1 Ų72.116%0.16336%0.356CS..Hα-helixtrans-63.4-41.1179.1-173.418.3000112.1V17 L18 K23 T24 L25 L74 L78 L161 F165V17-W21 WeakPolarHBondContact O-CB 3.4Å; V17-W21 PolarHBondContact O-N 3.22Å; L18-W21 PolarHBondContact O-N 3.48Å; W21-K23 VanDerWaalsContact C-N 3.29Å; W21-K23 PolarHBondContact O-N 3.13Å; W21-T24 PolarHBondContact O-N 2.99Å; W21-L25 HydrophobicContact CD2-CD1 4.3Å; W21-L25 HydrophobicContact CG-CD1 4.29Å; W21-L25 HydrophobicContact CZ2-CD1 4.22Å; W21-L25 VanDerWaalsContact NE1-CD1 3.33Å; W21-L25 PolarHBondContact O-N 3.39Å; W21-L74 HydrophobicContact CH2-CD2 4.36Å; W21-L74 HydrophobicContact CZ2-CD2 3.8Å; W21-L78 HydrophobicContact CB-CD2 4.18Å; W21-L78 HydrophobicContact CD2-CD2 3.93Å; W21-L78 HydrophobicContact CE3-CD1 4.34Å; W21-L78 HydrophobicContact CE3-CD2 4.18Å; W21-L78 HydrophobicContact CG-CD2 3.98Å; W21-L161 HydrophobicContact CE3-CD2 4.09Å; W21-L161 HydrophobicContact CH2-CD2 4.07Å; W21-L161 HydrophobicContact CZ3-CB 4.18Å; W21-L161 HydrophobicContact CZ3-CD1 4.4Å; W21-L161 HydrophobicContact CZ3-CD2 3.28Å; W21-L161 HydrophobicContact CZ3-CG 4.08Å; W21-F165 HydrophobicContact CD2-CZ 4.42Å; W21-F165 AromaticContact CE2-CZ 3.85Å; W21-F165 HydrophobicContact CE3-CZ 4.41Å; W21-F165 HydrophobicContact CH2-CD1 4.44Å; W21-F165 AromaticContact CH2-CD2 3.88Å; W21-F165 HydrophobicContact CH2-CD2 3.88Å; W21-F165 AromaticContact CH2-CE1 3.95Å; W21-F165 HydrophobicContact CH2-CE1 3.95Å; W21-F165 AromaticContact CH2-CE2 3.3Å; W21-F165 HydrophobicContact CH2-CE2 3.3Å; W21-F165 HydrophobicContact CH2-CG 4.4Å; W21-F165 AromaticContact CH2-CZ 3.34Å; W21-F165 HydrophobicContact CH2-CZ 3.34Å; W21-F165 HydrophobicContact CZ2-CD1 4.22Å; W21-F165 HydrophobicContact CZ2-CD2 4.44Å; W21-F165 AromaticContact CZ2-CE1 3.57Å; W21-F165 HydrophobicContact CZ2-CE1 3.57Å; W21-F165 AromaticContact CZ2-CE2 3.83Å; W21-F165 HydrophobicContact CZ2-CE2 3.83Å; W21-F165 AromaticContact CZ2-CZ 3.34Å; W21-F165 HydrophobicContact CZ2-CZ 3.34Å; W21-F165 AromaticContact CZ3-CE2 3.7Å; W21-F165 HydrophobicContact CZ3-CE2 3.7Å; W21-F165 AromaticContact CZ3-CZ 3.86Å; W21-F165 HydrophobicContact CZ3-CZ 3.86Å
22L88Confident83.8Confident29 Ų2972 Ų7215%0.15236%0.356CS..Hα-helixtrans-57.6-45.2175.3176.559.8000111.2L18 T19 T20 T24 L25 D26 L75 L78 K79 C82L18-L22 WeakPolarHBondContact O-CB 3.41Å; L18-L22 PolarHBondContact O-N 3.41Å; T19-L22 PolarHBondContact O-N 3.07Å; T20-L22 VanDerWaalsContact C-N 3.34Å; T20-L22 PolarHBondContact O-N 3.31Å; L22-T24 PolarHBondContact O-N 2.92Å; L22-L25 PolarHBondContact O-N 3.12Å; L22-D26 PolarHBondContact O-N 2.96Å; L22-L75 HydrophobicContact CD1-CD1 3.68Å; L22-L78 HydrophobicContact CB-CD2 3.83Å; L22-L78 HydrophobicContact CB-CG 4.14Å; L22-L78 HydrophobicContact CD1-CD2 4.34Å; L22-L78 HydrophobicContact CD1-CG 4.34Å; L22-K79 HydrophobicContact CD1-CG 3.65Å; L22-K79 HydrophobicContact CD2-CG 4.47Å; L22-C82 HydrophobicContact CD2-CB 3.79Å
23K88.9Confident83.3Confident134 Ų13470.9 Ų70.958%0.58335%0.353SS*.Hα-helixtrans-60.5-45.4176.9-171.8-176.7175.2-169.80111.8T19 T20 W21 L25 D26 E27T19-K23 PolarHBondContact O-N 2.89Å; T19-K23 VanDerWaalsContact O-N 3.09Å; T20-K23 WeakPolarHBondContact O-CB 3.47Å; T20-K23 PolarHBondContact O-N 3.45Å; W21-K23 VanDerWaalsContact C-N 3.29Å; W21-K23 PolarHBondContact O-N 3.13Å; K23-L25 VanDerWaalsContact C-N 3.34Å; K23-L25 PolarHBondContact O-N 3.14Å; K23-D26 PolarHBondContact O-N 3.42Å; K23-E27 VanDerWaalsContact CE-OE1 3.25Å; K23-E27 WeakPolarHBondContact CE-OE1 3.32Å; K23-E27 WeakPolarHBondContact O-CG 3.45Å; K23-E27 PolarHBondContact O-N 3.48Å
24T85.1Confident82.8Confident79 Ų7968.8 Ų68.849%0.48535%0.345SS..Hα-helixtrans-61.8-41.4177.2-55.20000111.8T20 W21 L22 E27 F28T20-T24 PolarHBondContact O-N 3.16Å; T20-T24 PolarHBondContact O-OG1 3.09Å; W21-T24 PolarHBondContact O-N 2.99Å; L22-T24 PolarHBondContact O-N 2.92Å; T24-E27 PolarHBondContact O-N 2.94Å; T24-F28 WeakPolarHBondContact O-CB 3.27Å; T24-F28 PolarHBondContact O-N 3.36Å
25L81.6Confident82.2Confident13 Ų1372 Ų727%0.06836%0.357CS..Hα-helixtrans-69.1-37.9177.8-78.7171.2000112.6W21 L22 K23 E27 F28 T29 L74 L75 L78W21-L25 HydrophobicContact CD2-CD1 4.3Å; W21-L25 HydrophobicContact CG-CD1 4.29Å; W21-L25 HydrophobicContact CZ2-CD1 4.22Å; W21-L25 VanDerWaalsContact NE1-CD1 3.33Å; W21-L25 PolarHBondContact O-N 3.39Å; L22-L25 PolarHBondContact O-N 3.12Å; K23-L25 VanDerWaalsContact C-N 3.34Å; K23-L25 PolarHBondContact O-N 3.14Å; L25-E27 VanDerWaalsContact C-N 3.34Å; L25-F28 PolarHBondContact O-N 3.38Å; L25-T29 WeakPolarHBondContact O-CB 3.43Å; L25-T29 PolarHBondContact O-N 3.21Å; L25-T29 PolarHBondContact O-OG1 3.48Å; L25-L74 HydrophobicContact CD1-CB 4.05Å; L25-L74 HydrophobicContact CD2-CB 4.39Å; L25-L75 HydrophobicContact CB-CD1 3.97Å; L25-L78 HydrophobicContact CD1-CD2 3.64Å
26D84.5Confident81.3Confident56 Ų5670.8 Ų70.830%0.29935%0.351SS..Hα-helixtrans-62.6-41.9173.1-90.3-29.8000111.2L22 K23 K30 L75L22-D26 PolarHBondContact O-N 2.96Å; K23-D26 PolarHBondContact O-N 3.42Å; D26-K30 WeakPolarHBondContact O-CG 3.49Å; D26-K30 PolarHBondContact O-N 3.36Å; D26-L75 WeakPolarHBondContact OD1-CD1 3.5Å
27E85.6Confident80.4Confident103 Ų10369.9 Ų69.948%0.48135%0.346SS..Hα-helixtrans-65.1-42.2175.2-73.5174.7-170.200111.9K23 T24 L25 K30 K31K23-E27 VanDerWaalsContact CE-OE1 3.25Å; K23-E27 WeakPolarHBondContact CE-OE1 3.32Å; K23-E27 WeakPolarHBondContact O-CG 3.45Å; K23-E27 PolarHBondContact O-N 3.48Å; T24-E27 PolarHBondContact O-N 2.94Å; L25-E27 VanDerWaalsContact C-N 3.34Å; E27-K30 PolarHBondContact O-N 3.33Å; E27-K31 PolarHBondContact O-N 3.06Å
28F77.6Confident79.5Confident75 Ų7569.8 Ų69.833%0.32935%0.346SS..Hα-helixtrans-61.9-45.5176-178.3-105.9000112T24 L25 K30 K31 E32 Y66T24-F28 WeakPolarHBondContact O-CB 3.27Å; T24-F28 PolarHBondContact O-N 3.36Å; L25-F28 PolarHBondContact O-N 3.38Å; F28-K30 VanDerWaalsContact C-N 3.28Å; F28-K30 PolarHBondContact O-N 2.79Å; F28-K31 WeakPolarHBondContact O-CA 3.4Å; F28-K31 WeakPolarHBondContact O-CB 3.37Å; F28-K31 PolarHBondContact O-N 2.74Å; F28-E32 HydrophobicContact CD1-CG 4.2Å; F28-E32 HydrophobicContact CE1-CG 3.82Å; F28-E32 WeakPolarHBondContact CE1-OE1 3.44Å; F28-E32 HydrophobicContact CZ-CG 4.02Å; F28-E32 PolarHBondContact O-N 3.28Å; F28-Y66 HydrophobicContact CE1-CE1 4.33Å; F28-Y66 HydrophobicContact CZ-CE1 4.07Å
29T79.3Confident78.3Confident19 Ų1970.2 Ų70.212%0.11735%0.349CS..Hα-helixtrans-61.9-36.9179.5-52.30000111.7L25 K31 E32 E33 L75L25-T29 WeakPolarHBondContact O-CB 3.43Å; L25-T29 PolarHBondContact O-N 3.21Å; L25-T29 PolarHBondContact O-OG1 3.48Å; T29-K31 VanDerWaalsContact C-N 3.33Å; T29-K31 PolarHBondContact O-N 2.82Å; T29-E32 PolarHBondContact O-N 2.92Å; T29-E33 PolarHBondContact O-N 2.83Å; T29-L75 HydrophobicContact CG2-CD2 4.26Å
30K80.7Confident76.9Confident129 Ų12974 Ų7456%0.56136%0.356SS*.Hα-helixtrans-63.6-39.3173.5-71.4170.7-175.1174.60112D26 E27 F28 E33 E34D26-K30 WeakPolarHBondContact O-CG 3.49Å; D26-K30 PolarHBondContact O-N 3.36Å; E27-K30 PolarHBondContact O-N 3.33Å; F28-K30 VanDerWaalsContact C-N 3.28Å; F28-K30 PolarHBondContact O-N 2.79Å; K30-E33 PolarHBondContact O-N 3.44Å; K30-E34 WeakPolarHBondContact O-CG 3.01Å; K30-E34 PolarHBondContact O-N 3.44Å
31K79.2Confident75.6Confident128 Ų12876.7 Ų76.756%0.55737%0.368SS*.Hα-helixtrans-67.4-38.8176.4-70.2-74.4161.7-153.20112E27 F28 T29 E33 E34 F35E27-K31 PolarHBondContact O-N 3.06Å; F28-K31 WeakPolarHBondContact O-CA 3.4Å; F28-K31 WeakPolarHBondContact O-CB 3.37Å; F28-K31 PolarHBondContact O-N 2.74Å; T29-K31 VanDerWaalsContact C-N 3.33Å; T29-K31 PolarHBondContact O-N 2.82Å; K31-E33 VanDerWaalsContact C-N 3.32Å; K31-E33 PolarHBondContact O-N 3.22Å; K31-E34 IonicContact NZ-OE1 3.81Å; K31-E34 IonicContact NZ-OE2 2.73Å; K31-E34 PolarHBondContact NZ-OE2 3.31Å; K31-E34 PolarHBondContact O-N 3.3Å; K31-F35 WeakPolarHBondContact O-CB 3.41Å; K31-F35 PolarHBondContact O-N 2.91Å
32E72.1Confident74.2Confident17 Ų1782 Ų828%0.07939%0.393CS..Hα-helixtrans-60.9-41.4171.9-68.3-179.4137.900111.8F28 T29 F35 A36 Y66 K67 N70F28-E32 HydrophobicContact CD1-CG 4.2Å; F28-E32 HydrophobicContact CE1-CG 3.82Å; F28-E32 WeakPolarHBondContact CE1-OE1 3.44Å; F28-E32 HydrophobicContact CZ-CG 4.02Å; F28-E32 PolarHBondContact O-N 3.28Å; T29-E32 PolarHBondContact O-N 2.92Å; E32-F35 PolarHBondContact O-N 3.39Å; E32-A36 WeakPolarHBondContact O-CB 3.49Å; E32-A36 PolarHBondContact O-N 2.9Å; E32-Y66 HydrophobicContact CG-CE1 4.49Å; E32-Y66 WeakPolarHBondContact OE1-CD1 3.44Å; E32-Y66 WeakPolarHBondContact OE1-CE1 3.48Å; E32-K67 HydrophobicContact CB-CG 4.45Å; E32-N70 PolarHBondContact OE1-ND2 3.33Å
33E74.5Confident72.4Confident103 Ų10386.4 Ų86.448%0.48143%0.426SS..Hα-helixtrans-66.1-43.9177.7-172.4171.6-162.500112.3T29 K30 K31 F35 A36 N37T29-E33 PolarHBondContact O-N 2.83Å; K30-E33 PolarHBondContact O-N 3.44Å; K31-E33 VanDerWaalsContact C-N 3.32Å; K31-E33 PolarHBondContact O-N 3.22Å; E33-F35 VanDerWaalsContact C-N 3.31Å; E33-F35 PolarHBondContact O-N 3.31Å; E33-A36 PolarHBondContact O-N 3Å; E33-N37 WeakPolarHBondContact O-CB 3.48Å; E33-N37 VanDerWaalsContact O-CG 3.29Å; E33-N37 PolarHBondContact O-N 3.27Å; E33-N37 PolarHBondContact O-ND2 3.03Å
34E74.2Confident70.8Confident99 Ų9982 Ų8246%0.46341%0.411SS..Hα-helixtrans-57.3-44.4172.6-74.3172.7-174.600111.4K30 K31 N37 T38K30-E34 WeakPolarHBondContact O-CG 3.01Å; K30-E34 PolarHBondContact O-N 3.44Å; K31-E34 IonicContact NZ-OE1 3.81Å; K31-E34 IonicContact NZ-OE2 2.73Å; K31-E34 PolarHBondContact NZ-OE2 3.31Å; K31-E34 PolarHBondContact O-N 3.3Å; E34-N37 PolarHBondContact O-N 2.91Å; E34-T38 PolarHBondContact O-N 2.89Å; E34-T38 PolarHBondContact O-OG1 3.15Å
35F69.2Low69.2Low116 Ų11683.1 Ų83.151%0.50941%0.414SS..Hα-helixtrans-65.7-45179-175.8-103.5000112.5K31 E32 E33 N37 T38 S39 C63K31-F35 WeakPolarHBondContact O-CB 3.41Å; K31-F35 PolarHBondContact O-N 2.91Å; E32-F35 PolarHBondContact O-N 3.39Å; E33-F35 VanDerWaalsContact C-N 3.31Å; E33-F35 PolarHBondContact O-N 3.31Å; F35-N37 VanDerWaalsContact C-N 3.31Å; F35-N37 PolarHBondContact O-N 3.04Å; F35-T38 PolarHBondContact O-N 3.41Å; F35-S39 PolarHBondContact O-N 3.18Å; F35-S39 PolarHBondContact O-OG 2.98Å; F35-C63 VanDerWaalsContact CE1-SG 3.52Å
36A67.2Low67.9Low11 Ų1187 Ų879%0.09144%0.44CS..Hα-helixtrans-63-36.9177.600000112.4E32 E33 S39 C63E32-A36 WeakPolarHBondContact O-CB 3.49Å; E32-A36 PolarHBondContact O-N 2.9Å; E33-A36 PolarHBondContact O-N 3Å; A36-S39 WeakPolarHBondContact CA-OG 3.48Å; A36-S39 PolarHBondContact O-OG 3.39Å; A36-C63 HydrophobicContact CB-CB 4.47Å
37N68.3Low66.6Low85 Ų8592.4 Ų92.446%0.45546%0.46SS..Hα-helixtrans-71.3-38176.9-72.7-27.2000112.3E33 E34 F35 R40 N41E33-N37 WeakPolarHBondContact O-CB 3.48Å; E33-N37 VanDerWaalsContact O-CG 3.29Å; E33-N37 PolarHBondContact O-N 3.27Å; E33-N37 PolarHBondContact O-ND2 3.03Å; E34-N37 PolarHBondContact O-N 2.91Å; F35-N37 VanDerWaalsContact C-N 3.31Å; F35-N37 PolarHBondContact O-N 3.04Å; N37-R40 PolarHBondContact O-N 2.9Å; N37-N41 PolarHBondContact O-ND2 3.19Å
38T66.9Low65.3Low93 Ų9393.9 Ų93.957%0.57146%0.462SS*.Hα-helixtrans-67.8-41.6179.4-50.10000111.2E34 F35 R40 N41E34-T38 PolarHBondContact O-N 2.89Å; E34-T38 PolarHBondContact O-OG1 3.15Å; F35-T38 PolarHBondContact O-N 3.41Å; T38-R40 VanDerWaalsContact C-N 3.26Å; T38-R40 PolarHBondContact O-N 3.43Å; T38-N41 PolarHBondContact O-N 2.83Å; T38-N41 VanDerWaalsContact O-N 3.13Å
39S60.7Low64.4Low9 Ų997.9 Ų97.96%0.06348%0.475CS..Hα-helixtrans-66.4-21179.949.90000114.6F35 A36 F42F35-S39 PolarHBondContact O-N 3.18Å; F35-S39 PolarHBondContact O-OG 2.98Å; A36-S39 WeakPolarHBondContact CA-OG 3.48Å; A36-S39 PolarHBondContact O-OG 3.39Å; S39-F42 WeakPolarHBondContact O-CD2 3.38Å
40R58.7Low63.5Low136 Ų136100.7 Ų100.751%0.51350%0.501SS..Hα-helixtrans-81.8-17.7173.6-72.8-179.8179.6174.10.4114N37 T38 E64N37-R40 PolarHBondContact O-N 2.9Å; T38-R40 VanDerWaalsContact C-N 3.26Å; T38-R40 PolarHBondContact O-N 3.43Å; R40-E64 IonicContact NH2-OE1 3.87Å; R40-E64 IonicContact NH2-OE2 2.73Å; R40-E64 PolarHBondContact NH2-OE2 3.41Å
41N60.5Low62.6Low134 Ų13497.8 Ų97.872%0.71749%0.493SS*.  trans-100.320.1-171.5-73.6-22000114.3N37 T38 S43N37-N41 PolarHBondContact O-ND2 3.19Å; T38-N41 PolarHBondContact O-N 2.83Å; T38-N41 VanDerWaalsContact O-N 3.13Å; N41-S43 PolarHBondContact O-N 2.84Å
42F56.4Low61.8Low153 Ų15393.9 Ų93.967%0.67148%0.481SS*.  trans-66.6108.3175.3-82.7-78.6000110.9S39 V44S39-F42 WeakPolarHBondContact O-CD2 3.38Å; F42-V44 HydrophobicContact CB-CG2 4.32Å; F42-V44 PolarHBondContact O-N 3.28Å
43S48.6Very low61.5Low123 Ų12396.3 Ų96.386%0.8650%0.499SS*.  trans-74.2108.6169.8166.90000109.1N41N41-S43 PolarHBondContact O-N 2.84Å
44V55.2Low61.2Low42 Ų4297.9 Ų97.926%0.25551%0.507SS..  trans-117.1144.5177.1-167.30000110.3F42 W49 T52F42-V44 HydrophobicContact CB-CG2 4.32Å; F42-V44 PolarHBondContact O-N 3.28Å; V44-W49 VanDerWaalsContact O-CD1 3.23Å; V44-W49 PolarHBondContact O-NE1 3.22Å; V44-T52 HydrophobicContact CB-CG2 4.4Å; V44-T52 HydrophobicContact CG1-CG2 3.75Å; V44-T52 HydrophobicContact CG2-CG2 4.13Å
45D52.4Low60.8Low102 Ų10294 Ų9455%0.54549%0.489SS..  trans-50.8132.7172.3-169.2-51.3000111.3K47 Y48D45-K47 PolarHBondContact O-N 3.17Å; D45-K47 PolarHBondContact OD1-N 3.42Å; D45-K47 VanDerWaalsContact OD1-N 3.14Å; D45-Y48 HydrophobicContact CB-CD2 4.28Å; D45-Y48 PolarHBondContact O-N 2.82Å
46P54.6Low60.7Low95 Ų9590.1 Ų90.162%0.61748%0.478SS*.G310 helixtrans-51.8-26.8-177.1-27.733.3000115Y48 W49P46-Y48 PolarHBondContact O-N 3.36Å; P46-W49 WeakPolarHBondContact O-CB 3.47Å; P46-W49 PolarHBondContact O-N 3.3Å
47K57.1Low60.9Low168 Ų16896.9 Ų96.973%0.7350%0.503SS*.G310 helixtrans-65.7-28179.9-169-179.9179.6-172.40113.2D45D45-K47 PolarHBondContact O-N 3.17Å; D45-K47 PolarHBondContact OD1-N 3.42Å; D45-K47 VanDerWaalsContact OD1-N 3.14Å
48Y57.5Low61.1Low135 Ų13594.7 Ų94.753%0.52949%0.494SS..G310 helixtrans-103.20.7-179.7-58-71000113.1D45 P46 A50 T51 T52D45-Y48 HydrophobicContact CB-CD2 4.28Å; D45-Y48 PolarHBondContact O-N 2.82Å; P46-Y48 PolarHBondContact O-N 3.36Å; Y48-A50 VanDerWaalsContact C-N 3.3Å; Y48-A50 PolarHBondContact O-N 3.1Å; Y48-A50 VanDerWaalsContact O-N 3.16Å; Y48-T51 PolarHBondContact O-N 3.32Å; Y48-T52 PolarHBondContact O-N 2.99Å; Y48-T52 PolarHBondContact O-OG1 3.31Å
49W59.5Low61.2Low159 Ų15992 Ų9260%0.60248%0.478SS*.Hα-helixtrans-52.1-40.6-173.1-99.220.7000114.4V44 P46 T52 S53V44-W49 VanDerWaalsContact O-CD1 3.23Å; V44-W49 PolarHBondContact O-NE1 3.22Å; P46-W49 WeakPolarHBondContact O-CB 3.47Å; P46-W49 PolarHBondContact O-N 3.3Å; W49-T52 WeakPolarHBondContact CA-OG1 3.29Å; W49-S53 WeakPolarHBondContact O-CA 3.45Å; W49-S53 WeakPolarHBondContact O-CB 3.42Å; W49-S53 PolarHBondContact O-N 3.38Å; W49-S53 PolarHBondContact O-OG 2.98Å
50A60Low61.8Low78 Ų7891.9 Ų91.965%0.64548%0.477SS*.Hα-helixtrans-60.8-53.8-17800000111Y48 S53 E54Y48-A50 VanDerWaalsContact C-N 3.3Å; Y48-A50 PolarHBondContact O-N 3.1Å; Y48-A50 VanDerWaalsContact O-N 3.16Å; A50-S53 PolarHBondContact O-N 2.99Å; A50-S53 PolarHBondContact O-OG 2.99Å; A50-E54 PolarHBondContact O-N 3.49Å; A50-E54 VanDerWaalsContact O-N 3.17Å
51T62.1Low62.7Low67 Ų6788.1 Ų88.141%0.41147%0.467SS..Hα-helixtrans-69.9-40.7-178.6-410000112.2Y48 L55 L189Y48-T51 PolarHBondContact O-N 3.32Å; T51-L55 WeakPolarHBondContact O-CB 3.31Å; T51-L55 PolarHBondContact O-N 2.99Å; T51-L189 HydrophobicContact CG2-CD1 3.55Å; T51-L189 HydrophobicContact CG2-CD2 3.92Å; T51-L189 HydrophobicContact CG2-CG 4.4Å
52T62.5Low63.3Low47 Ų4782.9 Ų82.929%0.28844%0.439SS..Hα-helixtrans-72.6-30.417851.10000113.1V44 Y48 W49 A56V44-T52 HydrophobicContact CB-CG2 4.4Å; V44-T52 HydrophobicContact CG1-CG2 3.75Å; V44-T52 HydrophobicContact CG2-CG2 4.13Å; Y48-T52 PolarHBondContact O-N 2.99Å; Y48-T52 PolarHBondContact O-OG1 3.31Å; W49-T52 WeakPolarHBondContact CA-OG1 3.29Å; T52-A56 WeakPolarHBondContact O-CB 3.47Å; T52-A56 PolarHBondContact O-N 3.3Å
53S65.7Low64.1Low67 Ų6776 Ų7647%0.46941%0.41SS..Hα-helixtrans-67.9-42.6174.3700000112.2W49 A50 L55 Y57W49-S53 WeakPolarHBondContact O-CA 3.45Å; W49-S53 WeakPolarHBondContact O-CB 3.42Å; W49-S53 PolarHBondContact O-N 3.38Å; W49-S53 PolarHBondContact O-OG 2.98Å; A50-S53 PolarHBondContact O-N 2.99Å; A50-S53 PolarHBondContact O-OG 2.99Å; S53-L55 VanDerWaalsContact C-N 3.29Å; S53-L55 PolarHBondContact O-N 2.93Å; S53-Y57 WeakPolarHBondContact O-CB 3.42Å; S53-Y57 PolarHBondContact O-N 3.45Å
54E68.1Low65.5Low137 Ų13773.2 Ų73.264%0.6438%0.383SS*.Hα-helixtrans-65.2-36.4178.6-171171-16400111.6A50 S58A50-E54 PolarHBondContact O-N 3.49Å; A50-E54 VanDerWaalsContact O-N 3.17Å; E54-S58 WeakPolarHBondContact O-CB 3.4Å; E54-S58 PolarHBondContact O-N 3.28Å; E54-S58 PolarHBondContact O-OG 3.37Å
55L66.9Low66.6Low16 Ų1674.7 Ų74.78%0.08439%0.394CS..Hα-helixtrans-78.6-41.8-179.3-145.7136.6000111.9T51 S53 Y57 S58 V59 V182 M186 L189T51-L55 WeakPolarHBondContact O-CB 3.31Å; T51-L55 PolarHBondContact O-N 2.99Å; S53-L55 VanDerWaalsContact C-N 3.29Å; S53-L55 PolarHBondContact O-N 2.93Å; L55-Y57 VanDerWaalsContact C-N 3.29Å; L55-Y57 PolarHBondContact O-N 3.3Å; L55-S58 PolarHBondContact O-N 2.89Å; L55-V59 WeakPolarHBondContact O-CG2 3.37Å; L55-V59 PolarHBondContact O-N 3.14Å; L55-V182 HydrophobicContact CD2-CG1 3.45Å; L55-V182 VanDerWaalsContact CD2-CG1 3.45Å; L55-V182 HydrophobicContact CG-CG1 3.79Å; L55-M186 HydrophobicContact CD1-CG 3.85Å; L55-M186 HydrophobicContact CD2-CE 3.15Å; L55-M186 HydrophobicContact CD2-CG 3.43Å; L55-M186 VanDerWaalsContact CD2-CG 3.43Å; L55-M186 HydrophobicContact CD2-SD 3.52Å; L55-M186 VanDerWaalsContact CD2-SD 3.52Å; L55-M186 HydrophobicContact CG-CG 4.3Å; L55-L189 HydrophobicContact CD1-CD1 4.17Å
56A67Low67.8Low35 Ų3571 Ų7129%0.28937%0.373SS..Hα-helixtrans-61.2-38.217000000111.8T52 G60T52-A56 WeakPolarHBondContact O-CB 3.47Å; T52-A56 PolarHBondContact O-N 3.3Å; A56-G60 PolarHBondContact O-N 3.44Å
57Y69.6Low69.1Low153 Ų15368.6 Ų68.660%0.635%0.353SS*.Hα-helixtrans-63.5-45.1173.8179.1-101.8000111.7S53 L55 G60 N61S53-Y57 WeakPolarHBondContact O-CB 3.42Å; S53-Y57 PolarHBondContact O-N 3.45Å; L55-Y57 VanDerWaalsContact C-N 3.29Å; L55-Y57 PolarHBondContact O-N 3.3Å; Y57-G60 PolarHBondContact O-N 3.39Å; Y57-N61 WeakPolarHBondContact CE1-ND2 3.33Å; Y57-N61 WeakPolarHBondContact O-CB 3.3Å; Y57-N61 PolarHBondContact O-N 2.91Å; Y57-N61 PolarHBondContact OH-ND2 3.22Å
58S72.5Confident70.4Confident39 Ų3964.1 Ų64.127%0.27334%0.337SS..Hα-helixtrans-62.1-47.6177.1-64.20000111.9E54 L55 G60 N61 I62E54-S58 WeakPolarHBondContact O-CB 3.4Å; E54-S58 PolarHBondContact O-N 3.28Å; E54-S58 PolarHBondContact O-OG 3.37Å; L55-S58 PolarHBondContact O-N 2.89Å; S58-G60 PolarHBondContact O-N 3.18Å; S58-N61 PolarHBondContact O-N 3.26Å; S58-I62 VanDerWaalsContact O-CD1 3.3Å; S58-I62 WeakPolarHBondContact O-CD1 3.46Å; S58-I62 WeakPolarHBondContact O-CG1 3.47Å; S58-I62 PolarHBondContact O-N 3.15Å; S58-I62 VanDerWaalsContact O-N 3.07Å
59V71Confident71.5Confident38 Ų3860.1 Ų60.123%0.2333%0.327CS..Hα-helixtrans-60.4-46.3174.8175.30000110.8L55 N61 I62 C63 V182L55-V59 WeakPolarHBondContact O-CG2 3.37Å; L55-V59 PolarHBondContact O-N 3.14Å; V59-N61 PolarHBondContact O-N 3.38Å; V59-I62 PolarHBondContact O-N 3.41Å; V59-C63 PolarHBondContact O-N 3.01Å; V59-C63 PolarHBondContact O-SG 3.38Å; V59-V182 HydrophobicContact CG2-CG1 3.72Å
60G72.8Confident72.5Confident5 Ų552.8 Ų52.85%0.05230%0.299CS..Hα-helixtrans-58.8-44.5179.300000112.8A56 Y57 S58 C63 E64A56-G60 PolarHBondContact O-N 3.44Å; Y57-G60 PolarHBondContact O-N 3.39Å; S58-G60 PolarHBondContact O-N 3.18Å; G60-C63 PolarHBondContact O-N 2.94Å; G60-E64 WeakPolarHBondContact O-CB 3.34Å; G60-E64 PolarHBondContact O-N 2.92Å
61N76.1Confident73.8Confident57 Ų5751.9 Ų51.931%0.30528%0.282SS..Hα-helixtrans-65.4-41.4177.5-78.7-8.2000112.6Y57 S58 V59 E64 C65Y57-N61 WeakPolarHBondContact CE1-ND2 3.33Å; Y57-N61 WeakPolarHBondContact O-CB 3.3Å; Y57-N61 PolarHBondContact O-N 2.91Å; Y57-N61 PolarHBondContact OH-ND2 3.22Å; S58-N61 PolarHBondContact O-N 3.26Å; V59-N61 PolarHBondContact O-N 3.38Å; N61-E64 PolarHBondContact O-N 3.01Å; N61-C65 WeakPolarHBondContact O-CB 3.34Å; N61-C65 PolarHBondContact O-N 3.38Å; N61-C65 PolarHBondContact O-SG 3.37Å
62I73Confident74.9Confident24 Ų2455 Ų5512%0.12329%0.291CS..Hα-helixtrans-62.7-46.1177.1-66.6159.1000109.9S58 V59 E64 C65 Y66 F175 K178 V182S58-I62 VanDerWaalsContact O-CD1 3.3Å; S58-I62 WeakPolarHBondContact O-CD1 3.46Å; S58-I62 WeakPolarHBondContact O-CG1 3.47Å; S58-I62 PolarHBondContact O-N 3.15Å; S58-I62 VanDerWaalsContact O-N 3.07Å; V59-I62 PolarHBondContact O-N 3.41Å; I62-E64 PolarHBondContact O-N 3.07Å; I62-C65 PolarHBondContact O-N 2.74Å; I62-Y66 WeakPolarHBondContact O-CB 3.36Å; I62-Y66 PolarHBondContact O-N 2.93Å; I62-F175 HydrophobicContact CG2-CD2 3.5Å; I62-F175 VanDerWaalsContact CG2-CD2 3.5Å; I62-F175 HydrophobicContact CG2-CE2 3.88Å; I62-F175 HydrophobicContact CG2-CG 4.36Å; I62-K178 HydrophobicContact CD1-CB 3.56Å; I62-K178 HydrophobicContact CD1-CD 4.47Å; I62-K178 HydrophobicContact CG1-CB 3.88Å; I62-K178 HydrophobicContact CG1-CD 3.94Å; I62-K178 HydrophobicContact CG2-CB 4.1Å; I62-K178 HydrophobicContact CG2-CD 4.49Å; I62-V182 HydrophobicContact CD1-CG2 3.89Å
63C74.2Confident75.8Confident8 Ų854.6 Ų54.65%0.05429%0.291CS..Hα-helixtrans-62.5-42.1177.4-63.70000111.9F35 A36 V59 G60 Y66 K67F35-C63 VanDerWaalsContact CE1-SG 3.52Å; A36-C63 HydrophobicContact CB-CB 4.47Å; V59-C63 PolarHBondContact O-N 3.01Å; V59-C63 PolarHBondContact O-SG 3.38Å; G60-C63 PolarHBondContact O-N 2.94Å; C63-Y66 PolarHBondContact O-N 3.1Å; C63-K67 WeakPolarHBondContact O-CB 3.39Å; C63-K67 PolarHBondContact O-N 2.81Å
64E78.6Confident76.6Confident66 Ų6651.6 Ų51.631%0.30827%0.269SS..Hα-helixtrans-68.8-39.4179.9-173.2158.2-149.400112.3R40 G60 N61 I62 N68R40-E64 IonicContact NH2-OE1 3.87Å; R40-E64 IonicContact NH2-OE2 2.73Å; R40-E64 PolarHBondContact NH2-OE2 3.41Å; G60-E64 WeakPolarHBondContact O-CB 3.34Å; G60-E64 PolarHBondContact O-N 2.92Å; N61-E64 PolarHBondContact O-N 3.01Å; I62-E64 PolarHBondContact O-N 3.07Å; E64-N68 VanDerWaalsContact O-CB 3.31Å; E64-N68 WeakPolarHBondContact O-CB 3.33Å; E64-N68 VanDerWaalsContact O-CG 3.23Å; E64-N68 PolarHBondContact O-N 3.09Å; E64-N68 PolarHBondContact O-ND2 3.09Å
65C77.1Confident77.5Confident72 Ų7245.2 Ų45.249%0.48624%0.24SC..Hα-helixtrans-63-44.4172.7-70.90000111.8N61 I62 N68 T69N61-C65 WeakPolarHBondContact O-CB 3.34Å; N61-C65 PolarHBondContact O-N 3.38Å; N61-C65 PolarHBondContact O-SG 3.37Å; I62-C65 PolarHBondContact O-N 2.74Å; C65-N68 PolarHBondContact O-N 2.92Å; C65-T69 WeakPolarHBondContact O-CB 3.44Å; C65-T69 PolarHBondContact O-N 3.46Å; C65-T69 PolarHBondContact O-OG1 3.47Å
66Y77.8Confident78.5Confident26 Ų2647 Ų4710%0.10225%0.248CC..Hα-helixtrans-61.4-50.4178.1-179.1-109.8000111.5F28 E32 I62 C63 N68 T69 N70 H168 C171 T172 F175F28-Y66 HydrophobicContact CE1-CE1 4.33Å; F28-Y66 HydrophobicContact CZ-CE1 4.07Å; E32-Y66 HydrophobicContact CG-CE1 4.49Å; E32-Y66 WeakPolarHBondContact OE1-CD1 3.44Å; E32-Y66 WeakPolarHBondContact OE1-CE1 3.48Å; I62-Y66 WeakPolarHBondContact O-CB 3.36Å; I62-Y66 PolarHBondContact O-N 2.93Å; C63-Y66 PolarHBondContact O-N 3.1Å; Y66-N68 PolarHBondContact O-N 2.93Å; Y66-T69 PolarHBondContact O-N 3.48Å; Y66-N70 VanDerWaalsContact CE1-ND2 3.26Å; Y66-N70 WeakPolarHBondContact CE1-ND2 3.33Å; Y66-N70 WeakPolarHBondContact CE2-ND2 3.44Å; Y66-N70 PolarHBondContact O-N 3.26Å; Y66-N70 PolarHBondContact OH-ND2 3.33Å; Y66-H168 PolarHBondContact OH-CE1 2.94Å; Y66-C171 HydrophobicContact CD2-CB 4.26Å; Y66-C171 WeakPolarHBondContact CD2-SG 3.39Å; Y66-C171 HydrophobicContact CE2-CB 4.34Å; Y66-T172 PolarHBondContact OH-OG1 3.09Å; Y66-F175 HydrophobicContact CD1-CD2 4.23Å; Y66-F175 HydrophobicContact CD1-CG 4.49Å; Y66-F175 HydrophobicContact CD2-CB 3.69Å; Y66-F175 HydrophobicContact CD2-CD2 4.38Å; Y66-F175 HydrophobicContact CD2-CG 4.17Å; Y66-F175 HydrophobicContact CE2-CB 4.24Å; Y66-F175 HydrophobicContact CG-CB 4.07Å; Y66-F175 AromaticContact CG-CD2 3.88Å; Y66-F175 HydrophobicContact CG-CD2 3.88Å; Y66-F175 HydrophobicContact CG-CG 4.1Å
67K82.3Confident79.3Confident44 Ų4446.4 Ų46.419%0.19124%0.241CC..Hα-helixtrans-54.9-49.8174.8-174.9-168.772.51780111.8E32 C63 T69 N70 Q71E32-K67 HydrophobicContact CB-CG 4.45Å; C63-K67 WeakPolarHBondContact O-CB 3.39Å; C63-K67 PolarHBondContact O-N 2.81Å; K67-T69 PolarHBondContact O-N 3.44Å; K67-N70 PolarHBondContact O-N 3.19Å; K67-Q71 WeakPolarHBondContact O-CB 3.46Å; K67-Q71 PolarHBondContact O-N 3.39Å
68N83.9Confident80.1Confident73 Ų7339.2 Ų39.239%0.3921%0.213SC..Hα-helixtrans-62.9-42-178.1-77.5-15.1000111.9E64 C65 Y66 Q71 Q72E64-N68 VanDerWaalsContact O-CB 3.31Å; E64-N68 WeakPolarHBondContact O-CB 3.33Å; E64-N68 VanDerWaalsContact O-CG 3.23Å; E64-N68 PolarHBondContact O-N 3.09Å; E64-N68 PolarHBondContact O-ND2 3.09Å; C65-N68 PolarHBondContact O-N 2.92Å; Y66-N68 PolarHBondContact O-N 2.93Å; N68-Q71 PolarHBondContact O-N 2.73Å; N68-Q72 WeakPolarHBondContact O-CB 3.44Å; N68-Q72 VanDerWaalsContact O-CG 3.29Å; N68-Q72 WeakPolarHBondContact O-CG 3.37Å; N68-Q72 PolarHBondContact O-N 3.13Å
69T80.2Confident80.9Confident52 Ų5240.9 Ų40.932%0.31922%0.215SC..Hα-helixtrans-66.3-44.2178.5-59.50000111.4C65 Y66 K67 Q71 Q72 S73 C171C65-T69 WeakPolarHBondContact O-CB 3.44Å; C65-T69 PolarHBondContact O-N 3.46Å; C65-T69 PolarHBondContact O-OG1 3.47Å; Y66-T69 PolarHBondContact O-N 3.48Å; K67-T69 PolarHBondContact O-N 3.44Å; T69-Q71 VanDerWaalsContact C-N 3.32Å; T69-Q71 PolarHBondContact O-N 2.96Å; T69-Q72 PolarHBondContact O-N 3.42Å; T69-S73 WeakPolarHBondContact O-CB 3.25Å; T69-S73 PolarHBondContact O-N 2.83Å; T69-S73 PolarHBondContact O-OG 3.31Å; T69-C171 WeakPolarHBondContact CB-SG 3.49Å; T69-C171 HydrophobicContact CG2-CB 3.83Å; T69-C171 VanDerWaalsContact CG2-SG 3.54Å
70N81.5Confident81.7Confident4 Ų446.5 Ų46.52%0.02124%0.237CC..Hα-helixtrans-61.5-42.8175.5-80.7-22.4000111.5E32 Y66 K67 L74 L75 H168E32-N70 PolarHBondContact OE1-ND2 3.33Å; Y66-N70 VanDerWaalsContact CE1-ND2 3.26Å; Y66-N70 WeakPolarHBondContact CE1-ND2 3.33Å; Y66-N70 WeakPolarHBondContact CE2-ND2 3.44Å; Y66-N70 PolarHBondContact O-N 3.26Å; Y66-N70 PolarHBondContact OH-ND2 3.33Å; K67-N70 PolarHBondContact O-N 3.19Å; N70-L74 HydrophobicContact CB-CD1 4.33Å; N70-L74 VanDerWaalsContact O-CB 3.32Å; N70-L74 WeakPolarHBondContact O-CB 3.17Å; N70-L74 PolarHBondContact O-N 3.39Å; N70-L74 WeakPolarHBondContact OD1-CD1 3.06Å; N70-L75 PolarHBondContact O-N 2.87Å; N70-H168 PolarHBondContact OD1-ND1 3.38Å
71Q86.7Confident82.3Confident60 Ų6047.2 Ų47.228%0.2824%0.239SC..Iπ-helixtrans-63-47.6178-170.4170.46.200112K67 N68 T69 L75 E76K67-Q71 WeakPolarHBondContact O-CB 3.46Å; K67-Q71 PolarHBondContact O-N 3.39Å; N68-Q71 PolarHBondContact O-N 2.73Å; T69-Q71 VanDerWaalsContact C-N 3.32Å; T69-Q71 PolarHBondContact O-N 2.96Å; Q71-L75 HydrophobicContact CG-CD2 4.4Å; Q71-L75 PolarHBondContact O-N 3.47Å; Q71-E76 HydrophobicContact CG-CG 4.11Å; Q71-E76 WeakPolarHBondContact O-CG 3.33Å; Q71-E76 PolarHBondContact O-N 3.42Å
72Q85.5Confident82.8Confident131 Ų13145.2 Ų45.261%0.61223%0.229SC*.Iπ-helixtrans-75.6-34.4-176.6-68.6-64.4-27.200113.7N68 T69 P77N68-Q72 WeakPolarHBondContact O-CB 3.44Å; N68-Q72 VanDerWaalsContact O-CG 3.29Å; N68-Q72 WeakPolarHBondContact O-CG 3.37Å; N68-Q72 PolarHBondContact O-N 3.13Å; T69-Q72 PolarHBondContact O-N 3.42Å; Q72-P77 VanDerWaalsContact O-CD 3.23Å; Q72-P77 WeakPolarHBondContact O-CD 3.28Å; Q72-P77 VanDerWaalsContact O-CG 3.28Å; Q72-P77 WeakPolarHBondContact O-CG 3.23Å
73S80.5Confident83.6Confident39 Ų3946.6 Ų46.627%0.27325%0.249SC..Iπ-helixtrans-94.3-24.5-172.3-47.20000113.1T69 S164T69-S73 WeakPolarHBondContact O-CB 3.25Å; T69-S73 PolarHBondContact O-N 2.83Å; T69-S73 PolarHBondContact O-OG 3.31Å; S73-S164 PolarHBondContact O-OG 3.4Å
74L83.4Confident84.2Confident4 Ų450 Ų502%0.02127%0.266CS..Iπ-helixtrans-118.5-61.1-178.8-65.1143.8000111.8W21 L25 N70 P77 L78 S164 H168W21-L74 HydrophobicContact CH2-CD2 4.36Å; W21-L74 HydrophobicContact CZ2-CD2 3.8Å; L25-L74 HydrophobicContact CD1-CB 4.05Å; L25-L74 HydrophobicContact CD2-CB 4.39Å; N70-L74 HydrophobicContact CB-CD1 4.33Å; N70-L74 VanDerWaalsContact O-CB 3.32Å; N70-L74 WeakPolarHBondContact O-CB 3.17Å; N70-L74 PolarHBondContact O-N 3.39Å; N70-L74 WeakPolarHBondContact OD1-CD1 3.06Å; L74-P77 WeakPolarHBondContact O-CD 3.36Å; L74-L78 WeakPolarHBondContact O-CB 3.33Å; L74-L78 PolarHBondContact O-N 2.86Å; L74-S164 WeakPolarHBondContact CD2-O 3.21Å; L74-H168 HydrophobicContact CD1-CB 3.56Å; L74-H168 WeakPolarHBondContact CD1-ND1 3.45Å; L74-H168 HydrophobicContact CD2-CB 4.22Å; L74-H168 HydrophobicContact CG-CB 4.36Å
75L85.9Confident84.7Confident3 Ų347.2 Ų47.22%0.01625%0.253CS..Iπ-helixtrans-67.5-54.5-165.1-177.263.7000112.3L22 L25 D26 T29 N70 Q71 L78 K79L22-L75 HydrophobicContact CD1-CD1 3.68Å; L25-L75 HydrophobicContact CB-CD1 3.97Å; D26-L75 WeakPolarHBondContact OD1-CD1 3.5Å; T29-L75 HydrophobicContact CG2-CD2 4.26Å; N70-L75 PolarHBondContact O-N 2.87Å; Q71-L75 HydrophobicContact CG-CD2 4.4Å; Q71-L75 PolarHBondContact O-N 3.47Å; L75-L78 PolarHBondContact O-N 3.42Å; L75-K79 HydrophobicContact CG-CD 4.34Å; L75-K79 WeakPolarHBondContact O-CG 3.48Å; L75-K79 PolarHBondContact O-N 3.08Å
76E88.5Confident85.3Confident54 Ų5447.4 Ų47.425%0.25225%0.253SS..Hα-helixtrans-64.6-42.2-176.7-68.6-55.4134.100113.1Q71 K79 K80Q71-E76 HydrophobicContact CG-CG 4.11Å; Q71-E76 WeakPolarHBondContact O-CG 3.33Å; Q71-E76 PolarHBondContact O-N 3.42Å; E76-K79 PolarHBondContact O-N 2.93Å; E76-K79 IonicContact OE1-NZ 3.51Å; E76-K79 PolarHBondContact OE1-NZ 3.46Å; E76-K80 WeakPolarHBondContact O-CG 3.21Å; E76-K80 PolarHBondContact O-N 3.17Å; E76-K80 VanDerWaalsContact O-N 3.09Å
77P84.4Confident85.9Confident23 Ų2349.7 Ų49.715%0.14927%0.273CS..Hα-helixtrans-61.4-42.8170.8-26.836.4000113.7Q72 L74 K79 K80 I81 F160Q72-P77 VanDerWaalsContact O-CD 3.23Å; Q72-P77 WeakPolarHBondContact O-CD 3.28Å; Q72-P77 VanDerWaalsContact O-CG 3.28Å; Q72-P77 WeakPolarHBondContact O-CG 3.23Å; L74-P77 WeakPolarHBondContact O-CD 3.36Å; P77-K79 VanDerWaalsContact C-N 3.32Å; P77-K79 PolarHBondContact O-N 2.66Å; P77-K80 WeakPolarHBondContact O-CB 3.18Å; P77-K80 PolarHBondContact O-N 2.9Å; P77-K80 VanDerWaalsContact O-N 3.13Å; P77-I81 WeakPolarHBondContact O-CG1 3.49Å; P77-I81 PolarHBondContact O-N 2.87Å; P77-F160 HydrophobicContact CB-CE1 3.83Å; P77-F160 HydrophobicContact CB-CE2 3.63Å; P77-F160 HydrophobicContact CB-CZ 3.04Å; P77-F160 HydrophobicContact CG-CE2 4.22Å; P77-F160 HydrophobicContact CG-CZ 3.83Å
78L85.6Confident86.2Confident2 Ų248.2 Ų48.21%0.0127%0.268CS..Hα-helixtrans-65.6-36.6179.1-172.863000111.4L18 W21 L22 L25 L74 L75 K80 I81 C82L18-L78 HydrophobicContact CB-CD1 4.44Å; L18-L78 HydrophobicContact CD2-CD1 3.81Å; W21-L78 HydrophobicContact CB-CD2 4.18Å; W21-L78 HydrophobicContact CD2-CD2 3.93Å; W21-L78 HydrophobicContact CE3-CD1 4.34Å; W21-L78 HydrophobicContact CE3-CD2 4.18Å; W21-L78 HydrophobicContact CG-CD2 3.98Å; L22-L78 HydrophobicContact CB-CD2 3.83Å; L22-L78 HydrophobicContact CB-CG 4.14Å; L22-L78 HydrophobicContact CD1-CD2 4.34Å; L22-L78 HydrophobicContact CD1-CG 4.34Å; L25-L78 HydrophobicContact CD1-CD2 3.64Å; L74-L78 WeakPolarHBondContact O-CB 3.33Å; L74-L78 PolarHBondContact O-N 2.86Å; L75-L78 PolarHBondContact O-N 3.42Å; L78-K80 VanDerWaalsContact C-N 3.35Å; L78-K80 PolarHBondContact O-N 3.47Å; L78-I81 PolarHBondContact O-N 3.34Å; L78-C82 WeakPolarHBondContact O-CB 3.47Å; L78-C82 PolarHBondContact O-N 3.4Å; L78-C82 PolarHBondContact O-SG 3.01Å; L78-C82 VanDerWaalsContact O-SG 3.39Å
79K89.3Confident86.5Confident74 Ų7447.8 Ų47.832%0.32227%0.265SS..Hα-helixtrans-58.5-44.7170.3-76.2176.8-175.7164.50111.9L22 L75 E76 P77 C82 G83L22-K79 HydrophobicContact CD1-CG 3.65Å; L22-K79 HydrophobicContact CD2-CG 4.47Å; L75-K79 HydrophobicContact CG-CD 4.34Å; L75-K79 WeakPolarHBondContact O-CG 3.48Å; L75-K79 PolarHBondContact O-N 3.08Å; E76-K79 PolarHBondContact O-N 2.93Å; E76-K79 IonicContact OE1-NZ 3.51Å; E76-K79 PolarHBondContact OE1-NZ 3.46Å; P77-K79 VanDerWaalsContact C-N 3.32Å; P77-K79 PolarHBondContact O-N 2.66Å; K79-C82 PolarHBondContact O-N 3.11Å; K79-G83 PolarHBondContact O-N 2.8Å
80K87.9Confident87Confident156 Ų15649.9 Ų49.968%0.67827%0.274SS*.Hα-helixtrans-61.7-44.3177.2-70.3170.9-175.4173.30111.6E76 P77 L78 G83E76-K80 WeakPolarHBondContact O-CG 3.21Å; E76-K80 PolarHBondContact O-N 3.17Å; E76-K80 VanDerWaalsContact O-N 3.09Å; P77-K80 WeakPolarHBondContact O-CB 3.18Å; P77-K80 PolarHBondContact O-N 2.9Å; P77-K80 VanDerWaalsContact O-N 3.13Å; L78-K80 VanDerWaalsContact C-N 3.35Å; L78-K80 PolarHBondContact O-N 3.47Å; K80-G83 PolarHBondContact O-N 3.46Å
81I85.4Confident87.5Confident20 Ų2051.5 Ų51.510%0.10328%0.283CS..Hα-helixtrans-62.7-50.8176.8-68.7162.4000110.4L18 P77 L78 G83 I84 L157 F160L18-I81 HydrophobicContact CD1-CG2 3.92Å; P77-I81 WeakPolarHBondContact O-CG1 3.49Å; P77-I81 PolarHBondContact O-N 2.87Å; L78-I81 PolarHBondContact O-N 3.34Å; I81-G83 PolarHBondContact O-N 3.17Å; I81-I84 WeakPolarHBondContact O-CG1 3.33Å; I81-I84 PolarHBondContact O-N 3.35Å; I81-L157 HydrophobicContact CB-CD2 4.24Å; I81-L157 HydrophobicContact CD1-CD2 3.48Å; I81-L157 VanDerWaalsContact CD1-CD2 3.48Å; I81-L157 HydrophobicContact CG1-CD2 3.67Å; I81-L157 HydrophobicContact CG2-CD2 3.51Å; I81-F160 HydrophobicContact CD1-CD1 3.35Å; I81-F160 HydrophobicContact CD1-CE1 3.48Å; I81-F160 VanDerWaalsContact CD1-CE1 3.48Å; I81-F160 HydrophobicContact CD1-CG 4.2Å; I81-F160 HydrophobicContact CD1-CZ 4.43Å
82C87.5Confident87.7Confident15 Ų1550 Ų5010%0.10128%0.275CS..Hα-helixtrans-62.2-30.6179.1-73.80000112.4L22 L78 K79 I84 L85 P86L22-C82 HydrophobicContact CD2-CB 3.79Å; L78-C82 WeakPolarHBondContact O-CB 3.47Å; L78-C82 PolarHBondContact O-N 3.4Å; L78-C82 PolarHBondContact O-SG 3.01Å; L78-C82 VanDerWaalsContact O-SG 3.39Å; K79-C82 PolarHBondContact O-N 3.11Å; C82-I84 VanDerWaalsContact C-N 3.3Å; C82-I84 PolarHBondContact O-N 2.84Å; C82-L85 HydrophobicContact CB-CD1 4.43Å; C82-L85 PolarHBondContact O-N 2.97Å; C82-P86 WeakPolarHBondContact O-CD 3.44Å
83G89.5Confident88Confident53 Ų5346.8 Ų46.855%0.54626%0.264SS..Hα-helixtrans-64.9-26.3177.400000114.8K79 K80 I81K79-G83 PolarHBondContact O-N 2.8Å; K80-G83 PolarHBondContact O-N 3.46Å; I81-G83 PolarHBondContact O-N 3.17Å
84I87.5Confident88.7Confident79 Ų7947.7 Ų47.741%0.40526%0.264SS..Hα-helixtrans-92.2-15.517963.1162.9000113.5I81 C82 P86 S87 I88 L153I81-I84 WeakPolarHBondContact O-CG1 3.33Å; I81-I84 PolarHBondContact O-N 3.35Å; C82-I84 VanDerWaalsContact C-N 3.3Å; C82-I84 PolarHBondContact O-N 2.84Å; I84-P86 VanDerWaalsContact C-CD 3.48Å; I84-S87 PolarHBondContact O-N 3.42Å; I84-I88 HydrophobicContact CD1-CD1 4.12Å; I84-I88 HydrophobicContact CG1-CD1 4.33Å; I84-I88 PolarHBondContact O-N 3.44Å; I84-I88 VanDerWaalsContact O-N 3.15Å; I84-L153 HydrophobicContact CD1-CD1 4.48Å; I84-L153 HydrophobicContact CD1-CD2 4.27Å
85L87.2Confident89.2Confident8 Ų848.3 Ų48.34%0.04227%0.267CS..Hα-helixtrans-58-40.1-177.8-62.5175.6000113.7F11 V15 L18 C82 S87 I88 N89F11-L85 HydrophobicContact CE2-CD2 3.85Å; F11-L85 HydrophobicContact CZ-CB 4.39Å; F11-L85 HydrophobicContact CZ-CD2 4.09Å; V15-L85 HydrophobicContact CB-CD1 4.35Å; V15-L85 HydrophobicContact CG1-CD1 4.25Å; V15-L85 HydrophobicContact CG2-CB 4.22Å; V15-L85 HydrophobicContact CG2-CD1 4.06Å; V15-L85 HydrophobicContact CG2-CD2 4.13Å; V15-L85 HydrophobicContact CG2-CG 4.36Å; L18-L85 HydrophobicContact CB-CD1 4.37Å; L18-L85 HydrophobicContact CD1-CD1 4.2Å; L18-L85 HydrophobicContact CD1-CD2 4.43Å; C82-L85 HydrophobicContact CB-CD1 4.43Å; C82-L85 PolarHBondContact O-N 2.97Å; L85-S87 VanDerWaalsContact C-N 3.34Å; L85-S87 PolarHBondContact O-N 3.4Å; L85-I88 PolarHBondContact O-N 2.8Å; L85-N89 PolarHBondContact O-N 3.29Å
86P90.6Very high89.5Confident75 Ų7552 Ų5249%0.48728%0.284SS..Hα-helixtrans-58.7-44.6175.7-25.235.6000112.4C82 I84 I88 N89 D90C82-P86 WeakPolarHBondContact O-CD 3.44Å; I84-P86 VanDerWaalsContact C-CD 3.48Å; P86-I88 VanDerWaalsContact C-N 3.31Å; P86-I88 PolarHBondContact O-N 2.92Å; P86-N89 WeakPolarHBondContact O-CA 3.41Å; P86-N89 WeakPolarHBondContact O-CB 3.42Å; P86-N89 PolarHBondContact O-N 3.18Å; P86-N89 VanDerWaalsContact O-N 3.09Å; P86-D90 VanDerWaalsContact O-CG 3.27Å; P86-D90 PolarHBondContact O-N 2.87Å
87S90.3Very high89.9Confident74 Ų7455.2 Ų55.252%0.51730%0.299SS..Hα-helixtrans-65.6-33.9179.1-55.40000112.6I84 L85 D90 I91I84-S87 PolarHBondContact O-N 3.42Å; L85-S87 VanDerWaalsContact C-N 3.34Å; L85-S87 PolarHBondContact O-N 3.4Å; S87-D90 PolarHBondContact O-N 2.92Å; S87-I91 WeakPolarHBondContact O-CG1 3.5Å; S87-I91 PolarHBondContact O-N 2.93Å
88I88.5Confident90.4Very high14 Ų1454.7 Ų54.77%0.07230%0.295CS..Hα-helixtrans-67.9-40.6172.7-63.8167.4000110.5F11 I84 L85 P86 D90 I91 F92 L150 L153F11-I88 HydrophobicContact CD2-CG2 3.95Å; F11-I88 HydrophobicContact CE1-CG2 4.12Å; F11-I88 HydrophobicContact CE2-CB 3.86Å; F11-I88 HydrophobicContact CE2-CD1 4.26Å; F11-I88 HydrophobicContact CE2-CG2 3.33Å; F11-I88 HydrophobicContact CZ-CB 3.65Å; F11-I88 HydrophobicContact CZ-CG2 3.44Å; F11-I88 VanDerWaalsContact CZ-CG2 3.44Å; I84-I88 HydrophobicContact CD1-CD1 4.12Å; I84-I88 HydrophobicContact CG1-CD1 4.33Å; I84-I88 PolarHBondContact O-N 3.44Å; I84-I88 VanDerWaalsContact O-N 3.15Å; L85-I88 PolarHBondContact O-N 2.8Å; P86-I88 VanDerWaalsContact C-N 3.31Å; P86-I88 PolarHBondContact O-N 2.92Å; I88-D90 VanDerWaalsContact C-N 3.28Å; I88-D90 PolarHBondContact O-N 2.98Å; I88-I91 WeakPolarHBondContact O-CB 3.31Å; I88-I91 PolarHBondContact O-N 2.87Å; I88-F92 HydrophobicContact CG2-CD2 4.29Å; I88-F92 HydrophobicContact CG2-CE2 3.9Å; I88-F92 WeakPolarHBondContact O-CD2 3.45Å; I88-F92 PolarHBondContact O-N 3.35Å; I88-L150 HydrophobicContact CB-CD2 4.5Å; I88-L150 HydrophobicContact CD1-CD2 4Å; I88-L150 HydrophobicContact CG1-CD2 4.13Å; I88-L150 HydrophobicContact CG2-CD1 3.97Å; I88-L150 HydrophobicContact CG2-CD2 3.57Å; I88-L150 HydrophobicContact CG2-CG 4.44Å; I88-L153 HydrophobicContact CD1-CD2 3.51Å
89N89.5Confident90.9Very high64 Ų6456.4 Ų56.434%0.34230%0.304SS..Hα-helixtrans-60.4-40175.1-174.674.2000111.6F11 L85 P86 I91 F92 V93F11-N89 HydrophobicContact CE1-CB 3.98Å; L85-N89 PolarHBondContact O-N 3.29Å; P86-N89 WeakPolarHBondContact O-CA 3.41Å; P86-N89 WeakPolarHBondContact O-CB 3.42Å; P86-N89 PolarHBondContact O-N 3.18Å; P86-N89 VanDerWaalsContact O-N 3.09Å; N89-I91 PolarHBondContact O-N 3.34Å; N89-F92 WeakPolarHBondContact O-CB 3.42Å; N89-F92 PolarHBondContact O-N 3.24Å; N89-F92 VanDerWaalsContact O-N 3.07Å; N89-V93 WeakPolarHBondContact O-CG2 3.34Å; N89-V93 PolarHBondContact O-N 3Å
90D91.8Very high91.2Very high95 Ų9558.9 Ų58.951%0.50831%0.314SS..Hα-helixtrans-59.8-34.3177.2-64.5-22.8000112P86 S87 I88 V93 E94P86-D90 VanDerWaalsContact O-CG 3.27Å; P86-D90 PolarHBondContact O-N 2.87Å; S87-D90 PolarHBondContact O-N 2.92Å; I88-D90 VanDerWaalsContact C-N 3.28Å; I88-D90 PolarHBondContact O-N 2.98Å; D90-V93 PolarHBondContact O-N 3.33Å; D90-E94 WeakPolarHBondContact O-CB 3.44Å; D90-E94 PolarHBondContact O-N 3.36Å
91I91.6Very high91.6Very high39 Ų3954.2 Ų54.220%0.230%0.295CS..Hα-helixtrans-64.1-41.4175-63.7169000111.1S87 I88 N89 R95 I142 I145 I146S87-I91 WeakPolarHBondContact O-CG1 3.5Å; S87-I91 PolarHBondContact O-N 2.93Å; I88-I91 WeakPolarHBondContact O-CB 3.31Å; I88-I91 PolarHBondContact O-N 2.87Å; N89-I91 PolarHBondContact O-N 3.34Å; I91-R95 WeakPolarHBondContact O-CB 3.48Å; I91-R95 PolarHBondContact O-N 3.42Å; I91-I142 HydrophobicContact CG2-CG2 3.64Å; I91-I145 HydrophobicContact CD1-CG2 4.18Å; I91-I146 HydrophobicContact CG2-CD1 4.13Å; I91-I146 HydrophobicContact CG2-CG1 4.01Å
92F90.6Very high92.1Very high27 Ų2754.3 Ų54.312%0.11830%0.295CS..Hα-helixtrans-67.3-38.5175.8-74-74.7000112.2A8 F11 I88 N89 R95 E96 I146 L150A8-F92 HydrophobicContact CB-CD1 3.88Å; A8-F92 HydrophobicContact CB-CE1 3.98Å; F11-F92 HydrophobicContact CB-CE2 4.04Å; F11-F92 HydrophobicContact CB-CZ 4.32Å; F11-F92 HydrophobicContact CD1-CD2 4.04Å; F11-F92 AromaticContact CD1-CE2 3.87Å; F11-F92 HydrophobicContact CD1-CE2 3.87Å; F11-F92 HydrophobicContact CD2-CE2 4.3Å; F11-F92 HydrophobicContact CE1-CD2 4.42Å; F11-F92 HydrophobicContact CE1-CE2 4.45Å; F11-F92 HydrophobicContact CG-CD2 4.43Å; F11-F92 AromaticContact CG-CE2 3.79Å; F11-F92 HydrophobicContact CG-CE2 3.79Å; I88-F92 HydrophobicContact CG2-CD2 4.29Å; I88-F92 HydrophobicContact CG2-CE2 3.9Å; I88-F92 WeakPolarHBondContact O-CD2 3.45Å; I88-F92 PolarHBondContact O-N 3.35Å; N89-F92 WeakPolarHBondContact O-CB 3.42Å; N89-F92 PolarHBondContact O-N 3.24Å; N89-F92 VanDerWaalsContact O-N 3.07Å; F92-R95 WeakPolarHBondContact O-CB 3.49Å; F92-R95 PolarHBondContact O-N 3.1Å; F92-E96 PolarHBondContact O-N 3.23Å; F92-I146 HydrophobicContact CD1-CD1 4.15Å; F92-I146 HydrophobicContact CE1-CD1 4.08Å; F92-I146 HydrophobicContact CE1-CG1 4.39Å; F92-I146 HydrophobicContact CE1-CG2 4.2Å; F92-I146 HydrophobicContact CZ-CG2 4.39Å; F92-L150 HydrophobicContact CE2-CD1 3.76Å; F92-L150 HydrophobicContact CZ-CD1 3.64Å
93V92.1Very high92.4Very high64 Ų6457.6 Ų57.639%0.38831%0.312SS..Hα-helixtrans-64.4-49.5175.6174.40000110.3N89 D90 R95 E96 E97N89-V93 WeakPolarHBondContact O-CG2 3.34Å; N89-V93 PolarHBondContact O-N 3Å; D90-V93 PolarHBondContact O-N 3.33Å; V93-R95 VanDerWaalsContact C-N 3.27Å; V93-R95 PolarHBondContact O-N 3.47Å; V93-E96 PolarHBondContact O-N 3.48Å; V93-E96 VanDerWaalsContact O-N 3.1Å; V93-E97 HydrophobicContact CG1-CG 4.42Å; V93-E97 WeakPolarHBondContact O-CG 3.27Å; V93-E97 PolarHBondContact O-N 2.9Å
94E95.1Very high92.7Very high58 Ų5862.4 Ų62.427%0.27131%0.313SS..Hα-helixtrans-57.5-42.7178.3-170.9-172.3172.100110.8D90 E96 E97 I98 R138 I142D90-E94 WeakPolarHBondContact O-CB 3.44Å; D90-E94 PolarHBondContact O-N 3.36Å; E94-E96 VanDerWaalsContact C-N 3.33Å; E94-E96 PolarHBondContact O-N 2.86Å; E94-E97 PolarHBondContact O-N 3.2Å; E94-I98 HydrophobicContact CG-CD1 3.83Å; E94-I98 HydrophobicContact CG-CG1 4.41Å; E94-I98 WeakPolarHBondContact O-CB 3.39Å; E94-I98 VanDerWaalsContact O-CG1 3.29Å; E94-I98 WeakPolarHBondContact O-CG1 3.23Å; E94-I98 PolarHBondContact O-N 3.33Å; E94-R138 VanDerWaalsContact CD-NH2 3.35Å; E94-R138 IonicContact OE1-CZ 3.33Å; E94-R138 IonicContact OE1-NE 2.74Å; E94-R138 PolarHBondContact OE1-NE 2.99Å; E94-R138 IonicContact OE1-NH2 3.06Å; E94-R138 PolarHBondContact OE1-NH2 3.49Å; E94-R138 IonicContact OE2-CZ 3.71Å; E94-R138 IonicContact OE2-NE 3.81Å; E94-R138 IonicContact OE2-NH2 2.79Å; E94-R138 PolarHBondContact OE2-NH2 3.01Å; E94-I142 HydrophobicContact CB-CD1 4.16Å; E94-I142 VanDerWaalsContact CD-CD1 3.46Å; E94-I142 HydrophobicContact CG-CD1 3.75Å
95R93.5Very high92.9Very high18 Ų1860.2 Ų60.27%0.06830%0.301CS..Hα-helixtrans-54.7-49.5175.6-172.5-178.4174.7-93.7-5.4111.9L4 I91 F92 V93 I98 L99 L139 I142 E143L4-R95 VanDerWaalsContact CD1-CZ 3.42Å; L4-R95 VanDerWaalsContact CD1-NE 3.34Å; L4-R95 VanDerWaalsContact CD1-NH2 3.3Å; I91-R95 WeakPolarHBondContact O-CB 3.48Å; I91-R95 PolarHBondContact O-N 3.42Å; F92-R95 WeakPolarHBondContact O-CB 3.49Å; F92-R95 PolarHBondContact O-N 3.1Å; V93-R95 VanDerWaalsContact C-N 3.27Å; V93-R95 PolarHBondContact O-N 3.47Å; R95-I98 PolarHBondContact O-N 3.21Å; R95-L99 HydrophobicContact CG-CD1 4.38Å; R95-L99 WeakPolarHBondContact O-CG 3.14Å; R95-L99 PolarHBondContact O-N 2.69Å; R95-L139 HydrophobicContact CG-CD1 3.7Å; R95-I142 HydrophobicContact CB-CG2 3.84Å; R95-I142 HydrophobicContact CG-CG2 4.18Å; R95-E143 IonicContact CZ-OE1 3.64Å; R95-E143 IonicContact NE-OE1 2.87Å; R95-E143 PolarHBondContact NE-OE1 2.9Å; R95-E143 IonicContact NH2-OE1 3.28Å; R95-E143 PolarHBondContact NH2-OE1 3.43Å
96E93.1Very high93.1Very high81 Ų8161.4 Ų61.438%0.37931%0.31SS..Hα-helixtrans-67.7-38-177.1-176.758.7-158.900111.7F92 V93 E94 L99 K100F92-E96 PolarHBondContact O-N 3.23Å; V93-E96 PolarHBondContact O-N 3.48Å; V93-E96 VanDerWaalsContact O-N 3.1Å; E94-E96 VanDerWaalsContact C-N 3.33Å; E94-E96 PolarHBondContact O-N 2.86Å; E96-L99 PolarHBondContact O-N 3.44Å; E96-K100 HydrophobicContact CG-CD 4.38Å; E96-K100 WeakPolarHBondContact O-CB 3.24Å; E96-K100 WeakPolarHBondContact O-CG 3.49Å; E96-K100 PolarHBondContact O-N 3.48Å; E96-K100 WeakPolarHBondContact OE1-CE 3.19Å; E96-K100 IonicContact OE1-NZ 2.84Å
97E95.8Very high93Very high121 Ų12165.9 Ų65.957%0.56532%0.317SS*.Hα-helixtrans-64-43.9174.5-70.8-176.3163.600111.9V93 E94 K100 E101V93-E97 HydrophobicContact CG1-CG 4.42Å; V93-E97 WeakPolarHBondContact O-CG 3.27Å; V93-E97 PolarHBondContact O-N 2.9Å; E94-E97 PolarHBondContact O-N 3.2Å; E97-K100 PolarHBondContact O-N 3.15Å; E97-E101 WeakPolarHBondContact O-CB 3.29Å; E97-E101 PolarHBondContact O-N 2.93Å
98I96.6Very high92.9Very high12 Ų1267.1 Ų67.16%0.06231%0.313CS..Hα-helixtrans-62.3-45.1176.4-71.5168.5000110.7E94 R95 K100 E101 I102 L135 R138 L139 I142E94-I98 HydrophobicContact CG-CD1 3.83Å; E94-I98 HydrophobicContact CG-CG1 4.41Å; E94-I98 WeakPolarHBondContact O-CB 3.39Å; E94-I98 VanDerWaalsContact O-CG1 3.29Å; E94-I98 WeakPolarHBondContact O-CG1 3.23Å; E94-I98 PolarHBondContact O-N 3.33Å; R95-I98 PolarHBondContact O-N 3.21Å; I98-K100 VanDerWaalsContact C-N 3.35Å; I98-K100 PolarHBondContact O-N 3.15Å; I98-E101 PolarHBondContact O-N 3.47Å; I98-I102 HydrophobicContact CG2-CD1 3.67Å; I98-I102 HydrophobicContact CG2-CG1 4.22Å; I98-I102 WeakPolarHBondContact O-CB 3.48Å; I98-I102 VanDerWaalsContact O-CG1 3.31Å; I98-I102 WeakPolarHBondContact O-CG1 3.31Å; I98-I102 PolarHBondContact O-N 2.89Å; I98-L135 HydrophobicContact CG1-CD2 4.13Å; I98-L135 HydrophobicContact CG2-CB 4.16Å; I98-L135 HydrophobicContact CG2-CD2 4.24Å; I98-L135 WeakPolarHBondContact CG2-O 3.41Å; I98-R138 HydrophobicContact CD1-CB 4.15Å; I98-R138 HydrophobicContact CD1-CG 3.5Å; I98-R138 VanDerWaalsContact CD1-CG 3.5Å; I98-L139 HydrophobicContact CG2-CB 3.84Å; I98-L139 HydrophobicContact CG2-CD1 4.28Å; I98-L139 HydrophobicContact CG2-CG 4.48Å; I98-I142 HydrophobicContact CD1-CD1 3.53Å
99L95.1Very high92.7Very high38 Ų3867.7 Ų67.720%0.19932%0.316CS..Hα-helixtrans-60.1-43.8176.6-78.4171.9000112.1R95 E96 E101 N103 L139R95-L99 HydrophobicContact CG-CD1 4.38Å; R95-L99 WeakPolarHBondContact O-CG 3.14Å; R95-L99 PolarHBondContact O-N 2.69Å; E96-L99 PolarHBondContact O-N 3.44Å; L99-E101 VanDerWaalsContact C-N 3.34Å; L99-N103 WeakPolarHBondContact O-CB 3.28Å; L99-N103 PolarHBondContact O-N 3.33Å; L99-N103 PolarHBondContact O-ND2 3.23Å; L99-L139 HydrophobicContact CD2-CD1 4.33Å; L99-L139 HydrophobicContact CD2-CD2 3.62Å; L99-L139 HydrophobicContact CG-CD1 4.13Å; L99-L139 HydrophobicContact CG-CD2 4.28Å
100K95.8Very high92.3Very high125 Ų12572.5 Ų72.554%0.54333%0.329SS..Hα-helixtrans-61.3-43.8175.6-76.7169-180158.60111.4E96 E97 I98 N103 R104E96-K100 HydrophobicContact CG-CD 4.38Å; E96-K100 WeakPolarHBondContact O-CB 3.24Å; E96-K100 WeakPolarHBondContact O-CG 3.49Å; E96-K100 PolarHBondContact O-N 3.48Å; E96-K100 WeakPolarHBondContact OE1-CE 3.19Å; E96-K100 IonicContact OE1-NZ 2.84Å; E97-K100 PolarHBondContact O-N 3.15Å; I98-K100 VanDerWaalsContact C-N 3.35Å; I98-K100 PolarHBondContact O-N 3.15Å; K100-N103 PolarHBondContact O-N 2.75Å; K100-R104 WeakPolarHBondContact O-CB 2.97Å; K100-R104 PolarHBondContact O-N 3.09Å
101E96.2Very high91.8Very high59 Ų5975.6 Ų75.628%0.27634%0.338SS..Hα-helixtrans-72.3-39.7-177.6-174.358.4-162.300112.3E97 I98 L99 R104 K105 L135E97-E101 WeakPolarHBondContact O-CB 3.29Å; E97-E101 PolarHBondContact O-N 2.93Å; I98-E101 PolarHBondContact O-N 3.47Å; L99-E101 VanDerWaalsContact C-N 3.34Å; E101-R104 PolarHBondContact O-N 3.47Å; E101-K105 WeakPolarHBondContact O-CB 3.2Å; E101-K105 WeakPolarHBondContact O-CG 3.33Å; E101-K105 PolarHBondContact O-N 3.48Å; E101-K105 WeakPolarHBondContact OE1-CE 3.45Å; E101-K105 IonicContact OE1-NZ 3.07Å; E101-K105 PolarHBondContact OE1-NZ 2.98Å; E101-L135 HydrophobicContact CB-CD1 4.19Å; E101-L135 HydrophobicContact CG-CD1 3.68Å
102I95.3Very high90.9Very high21 Ų2175.3 Ų75.311%0.10834%0.342CS..Hα-helixtrans-57.2-51.6170.4-71.1170.6000109.6I98 R104 K105 C106 V132 L135 L139I98-I102 HydrophobicContact CG2-CD1 3.67Å; I98-I102 HydrophobicContact CG2-CG1 4.22Å; I98-I102 WeakPolarHBondContact O-CB 3.48Å; I98-I102 VanDerWaalsContact O-CG1 3.31Å; I98-I102 WeakPolarHBondContact O-CG1 3.31Å; I98-I102 PolarHBondContact O-N 2.89Å; I102-R104 VanDerWaalsContact C-N 3.29Å; I102-R104 PolarHBondContact O-N 3.2Å; I102-K105 PolarHBondContact O-N 2.96Å; I102-K105 VanDerWaalsContact O-N 3.15Å; I102-C106 WeakPolarHBondContact O-CB 3.22Å; I102-C106 PolarHBondContact O-N 3.42Å; I102-C106 PolarHBondContact O-SG 2.86Å; I102-V132 HydrophobicContact CG2-CG1 4.48Å; I102-L135 HydrophobicContact CD1-CB 3.95Å; I102-L135 HydrophobicContact CG1-CB 3.6Å; I102-L135 HydrophobicContact CG1-CD1 4.17Å; I102-L139 HydrophobicContact CD1-CB 4.47Å; I102-L139 HydrophobicContact CD1-CD2 3.99Å
103N94.4Very high89.6Confident85 Ų8580.2 Ų80.246%0.45537%0.365SS..Hα-helixtrans-58.5-41.2179-81.4-47.7000112.2L99 K100 R107L99-N103 WeakPolarHBondContact O-CB 3.28Å; L99-N103 PolarHBondContact O-N 3.33Å; L99-N103 PolarHBondContact O-ND2 3.23Å; K100-N103 PolarHBondContact O-N 2.75Å; N103-R107 VanDerWaalsContact O-CG 3.3Å; N103-R107 WeakPolarHBondContact O-CG 3.32Å; N103-R107 PolarHBondContact O-N 2.93Å
104R95.4Very high88.1Confident153 Ų15382.7 Ų82.758%0.57738%0.375SS*.Hα-helixtrans-63.1-45.2176.4-173-179.3-174.61691.2111.7K100 E101 I102 R107 K108K100-R104 WeakPolarHBondContact O-CB 2.97Å; K100-R104 PolarHBondContact O-N 3.09Å; E101-R104 PolarHBondContact O-N 3.47Å; I102-R104 VanDerWaalsContact C-N 3.29Å; I102-R104 PolarHBondContact O-N 3.2Å; R104-R107 PolarHBondContact O-N 3.45Å; R104-K108 PolarHBondContact O-N 3.31Å; R104-K108 VanDerWaalsContact O-N 3.16Å
105K93.3Very high86.2Confident34 Ų3486 Ų8615%0.14840%0.402CS..Hα-helixtrans-67.6-44.7178.7-73.4-177.7-160.3-780111.8E101 I102 R107 K108 I109 I128 S131 V132 L135E101-K105 WeakPolarHBondContact O-CB 3.2Å; E101-K105 WeakPolarHBondContact O-CG 3.33Å; E101-K105 PolarHBondContact O-N 3.48Å; E101-K105 WeakPolarHBondContact OE1-CE 3.45Å; E101-K105 IonicContact OE1-NZ 3.07Å; E101-K105 PolarHBondContact OE1-NZ 2.98Å; I102-K105 PolarHBondContact O-N 2.96Å; I102-K105 VanDerWaalsContact O-N 3.15Å; K105-R107 VanDerWaalsContact C-N 3.27Å; K105-R107 PolarHBondContact O-N 3.43Å; K105-K108 WeakPolarHBondContact O-CA 3.49Å; K105-K108 WeakPolarHBondContact O-CB 3.4Å; K105-K108 PolarHBondContact O-N 3.25Å; K105-I109 PolarHBondContact O-N 3.25Å; K105-I128 HydrophobicContact CB-CG2 3.77Å; K105-I128 HydrophobicContact CD-CG2 4.41Å; K105-I128 HydrophobicContact CG-CG2 4.13Å; K105-S131 WeakPolarHBondContact CE-OG 3.39Å; K105-S131 PolarHBondContact NZ-OG 3.46Å; K105-V132 HydrophobicContact CB-CG2 3.49Å; K105-V132 VanDerWaalsContact CB-CG2 3.49Å; K105-V132 HydrophobicContact CD-CG2 3.9Å; K105-V132 HydrophobicContact CG-CG2 4.36Å; K105-L135 HydrophobicContact CD-CD1 3.95Å; K105-L135 VanDerWaalsContact CE-CD1 3.45Å
106C90.2Very high84.5Confident33 Ų3393 Ų9322%0.22344%0.435CS..Hα-helixtrans-60.2-35.5175.6-68.90000112.4I102 I109 R110I102-C106 WeakPolarHBondContact O-CB 3.22Å; I102-C106 PolarHBondContact O-N 3.42Å; I102-C106 PolarHBondContact O-SG 2.86Å; C106-I109 PolarHBondContact O-N 2.99Å; C106-R110 PolarHBondContact O-N 3.46Å; C106-R110 VanDerWaalsContact O-N 3.09Å
107R89.3Confident82.6Confident169 Ų16995 Ų9564%0.63845%0.445SS*.Hα-helixtrans-65.6-37.4171.2-74.5176.4-170.2175.44112.6N103 R104 K105 K111N103-R107 VanDerWaalsContact O-CG 3.3Å; N103-R107 WeakPolarHBondContact O-CG 3.32Å; N103-R107 PolarHBondContact O-N 2.93Å; R104-R107 PolarHBondContact O-N 3.45Å; K105-R107 VanDerWaalsContact C-N 3.27Å; K105-R107 PolarHBondContact O-N 3.43Å; R107-K111 WeakPolarHBondContact O-CG 3.4Å; R107-K111 PolarHBondContact O-N 3.4Å; R107-K111 VanDerWaalsContact O-N 3.12Å
108K87.6Confident80.7Confident99 Ų9992.9 Ų92.943%0.4345%0.454SS..Hα-helixtrans-66.7-40.1175-71.7176.7178.5175.20111.7R104 K105 K111 A112 I128R104-K108 PolarHBondContact O-N 3.31Å; R104-K108 VanDerWaalsContact O-N 3.16Å; K105-K108 WeakPolarHBondContact O-CA 3.49Å; K105-K108 WeakPolarHBondContact O-CB 3.4Å; K105-K108 PolarHBondContact O-N 3.25Å; K108-K111 PolarHBondContact O-N 3.46Å; K108-A112 WeakPolarHBondContact O-CB 3.39Å; K108-A112 PolarHBondContact O-N 3.22Å; K108-A112 VanDerWaalsContact O-N 3.07Å; K108-I128 HydrophobicContact CB-CD1 4.35Å
109I84Confident78.8Confident26 Ų2699.5 Ų99.513%0.13349%0.49CS..Hα-helixtrans-58.2-54.9175-65.7174.2000109.5K105 C106 K111 A112 E113 H125 I128 V132K105-I109 PolarHBondContact O-N 3.25Å; C106-I109 PolarHBondContact O-N 2.99Å; I109-K111 VanDerWaalsContact C-N 3.28Å; I109-K111 PolarHBondContact O-N 2.73Å; I109-A112 PolarHBondContact O-N 3.38Å; I109-E113 PolarHBondContact O-N 2.93Å; I109-E113 VanDerWaalsContact O-N 3.13Å; I109-H125 WeakPolarHBondContact CA-NE2 3.44Å; I109-H125 PolarHBondContact O-NE2 2.91Å; I109-I128 HydrophobicContact CD1-CG2 3.88Å; I109-I128 HydrophobicContact CG1-CB 4.25Å; I109-I128 HydrophobicContact CG1-CG2 3.61Å; I109-V132 HydrophobicContact CD1-CG2 4.37Å
110R82.5Confident77Confident166 Ų166106.3 Ų106.363%0.62652%0.521SS*.Hα-helixtrans-57.4-35.9179.8-75.5-175-108.7178.9-9.9114.1C106C106-R110 PolarHBondContact O-N 3.46Å; C106-R110 VanDerWaalsContact O-N 3.09Å
111K81.3Confident75.3Confident160 Ų160102 Ų10270%0.69650%0.503SS*.Hα-helixtrans-72.2-31.3176.4-75.7-175177.6-167.30113.1R107 K108 I109 L114R107-K111 WeakPolarHBondContact O-CG 3.4Å; R107-K111 PolarHBondContact O-N 3.4Å; R107-K111 VanDerWaalsContact O-N 3.12Å; K108-K111 PolarHBondContact O-N 3.46Å; I109-K111 VanDerWaalsContact C-N 3.28Å; I109-K111 PolarHBondContact O-N 2.73Å; K111-L114 WeakPolarHBondContact O-CD1 3.49Å
112A71.8Confident74.1Confident33 Ų33103.2 Ų103.227%0.27352%0.518SS..Hα-helixtrans-83.6-10.4178.900000112.9K108 I109 L114 I121 H125K108-A112 WeakPolarHBondContact O-CB 3.39Å; K108-A112 PolarHBondContact O-N 3.22Å; K108-A112 VanDerWaalsContact O-N 3.07Å; I109-A112 PolarHBondContact O-N 3.38Å; A112-L114 PolarHBondContact O-N 2.86Å; A112-I121 HydrophobicContact CB-CG2 4.43Å; A112-I121 WeakPolarHBondContact O-CD1 3.45Å; A112-H125 WeakPolarHBondContact CB-NE2 3.44Å
113E64.5Low73.2Confident130 Ų130104.2 Ų104.261%0.60753%0.534SS*.THydrogen-bonded Turntrans-80.50.5171.8-69.5173.2160.900113.4I109 H125I109-E113 PolarHBondContact O-N 2.93Å; I109-E113 VanDerWaalsContact O-N 3.13Å; E113-H125 VanDerWaalsContact CG-CE1 3.41Å; E113-H125 WeakPolarHBondContact CG-CE1 3.48Å
114L60.4Low72.5Confident115 Ų115109.3 Ų109.360%0.60255%0.547SS*.SBendtrans-68.8144.6172.4-78.6156.6000110.5K111 A112 E116K111-L114 WeakPolarHBondContact O-CD1 3.49Å; A112-L114 PolarHBondContact O-N 2.86Å; L114-E116 PolarHBondContact O-N 3.5Å
115P55Low71.9Confident127 Ų127103.3 Ų103.383%0.82553%0.525SS*.THydrogen-bonded Turntrans-67.10.8-154.2-2032.2000117.6
116E56.8Low71.5Confident166 Ų166108.3 Ų108.378%0.77655%0.547SS*.THydrogen-bonded Turntrans-93.7-8.6-160.3-70.7-167.4161.200116.7L114L114-E116 PolarHBondContact O-N 3.5Å
117H54.3Low71.4Confident124 Ų124114.2 Ų114.257%0.57457%0.569SS**  trans-130.165.8-174-45.8-19.7000114.7N119 I121H117-N119 VanDerWaalsContact C-N 3.3Å; H117-N119 PolarHBondContact O-N 2.98Å; H117-I121 HydrophobicContact CB-CD1 3.36Å; H117-I121 HydrophobicContact CB-CG1 3.59Å; H117-I121 WeakPolarHBondContact O-CB 3.43Å; H117-I121 WeakPolarHBondContact O-CD1 3.35Å; H117-I121 WeakPolarHBondContact O-CG1 3.33Å
118G54.5Low71.4Confident75 Ų75107.7 Ų107.777%0.77355%0.546SS*.THydrogen-bonded Turntrans-60.86.2-16500000121.3
119N57.3Low71.4Confident151 Ų151105 Ų10581%0.80754%0.54SS*.THydrogen-bonded Turntrans-145.3-40.7175-84.7-36.7000116H117 I121 S122H117-N119 VanDerWaalsContact C-N 3.3Å; H117-N119 PolarHBondContact O-N 2.98Å; N119-I121 VanDerWaalsContact C-N 3.27Å; N119-I121 PolarHBondContact O-N 2.93Å; N119-S122 PolarHBondContact O-N 3.43Å
120E57.7Low71.8Confident182 Ų182109.2 Ų109.285%0.8556%0.559SS**Hα-helixtrans-69.9-24.1175.3-83.2-169.7154.800113.4S122E120-S122 VanDerWaalsContact C-N 3.26Å; E120-S122 PolarHBondContact O-N 2.73Å
121I60.3Low72.4Confident34 Ų34103.2 Ų103.217%0.17454%0.542CS..Hα-helixtrans-55.7-44175.6-77173.3000110.8A112 H117 N119 G123 R124 H125A112-I121 HydrophobicContact CB-CG2 4.43Å; A112-I121 WeakPolarHBondContact O-CD1 3.45Å; H117-I121 HydrophobicContact CB-CD1 3.36Å; H117-I121 HydrophobicContact CB-CG1 3.59Å; H117-I121 WeakPolarHBondContact O-CB 3.43Å; H117-I121 WeakPolarHBondContact O-CD1 3.35Å; H117-I121 WeakPolarHBondContact O-CG1 3.33Å; N119-I121 VanDerWaalsContact C-N 3.27Å; N119-I121 PolarHBondContact O-N 2.93Å; I121-G123 PolarHBondContact O-N 3.43Å; I121-R124 PolarHBondContact O-N 2.93Å; I121-H125 WeakPolarHBondContact CG2-CE1 3.49Å; I121-H125 WeakPolarHBondContact CG2-ND1 3.37Å; I121-H125 WeakPolarHBondContact O-CB 3.47Å; I121-H125 PolarHBondContact O-N 3.4Å
122S71.2Confident73Confident84 Ų8496.3 Ų96.359%0.58751%0.514SS*.Hα-helixtrans-57.2-48.9-172.2164.20000112.7N119 E120 K126N119-S122 PolarHBondContact O-N 3.43Å; E120-S122 VanDerWaalsContact C-N 3.26Å; E120-S122 PolarHBondContact O-N 2.73Å; S122-K126 WeakPolarHBondContact O-CB 3.15Å; S122-K126 PolarHBondContact O-N 2.89Å
123G76.5Confident74.1Confident42 Ų4299.5 Ų99.543%0.43353%0.526SS..Hα-helixtrans-67.6-39.1-179.700000113I121 K126 K127I121-G123 PolarHBondContact O-N 3.43Å; G123-K126 PolarHBondContact O-N 2.93Å; G123-K127 PolarHBondContact O-N 3.44Å; G123-K127 VanDerWaalsContact O-N 3.15Å
124R78.1Confident75.6Confident192 Ų19297.1 Ų97.173%0.72552%0.524SS*.Hα-helixtrans-71.3-40.8179-150.5177-169.3-179.45111.1I121 K127 I128I121-R124 PolarHBondContact O-N 2.93Å; R124-K127 PolarHBondContact O-N 3.28Å; R124-I128 HydrophobicContact CG-CD1 4.48Å; R124-I128 VanDerWaalsContact O-CG1 3.25Å; R124-I128 WeakPolarHBondContact O-CG1 3.36Å; R124-I128 PolarHBondContact O-N 3.49Å
125H83Confident77.4Confident27 Ų2793.2 Ų93.213%0.12550%0.504CS..Hα-helixtrans-60.4-44.7171.3-93.2157.5000111.9I109 A112 E113 I121 K127 I128 S129I109-H125 WeakPolarHBondContact CA-NE2 3.44Å; I109-H125 PolarHBondContact O-NE2 2.91Å; A112-H125 WeakPolarHBondContact CB-NE2 3.44Å; E113-H125 VanDerWaalsContact CG-CE1 3.41Å; E113-H125 WeakPolarHBondContact CG-CE1 3.48Å; I121-H125 WeakPolarHBondContact CG2-CE1 3.49Å; I121-H125 WeakPolarHBondContact CG2-ND1 3.37Å; I121-H125 WeakPolarHBondContact O-CB 3.47Å; I121-H125 PolarHBondContact O-N 3.4Å; H125-K127 VanDerWaalsContact C-N 3.33Å; H125-K127 PolarHBondContact O-N 3.41Å; H125-I128 PolarHBondContact O-N 2.92Å; H125-S129 WeakPolarHBondContact O-CB 3.42Å; H125-S129 PolarHBondContact O-N 2.73Å; H125-S129 PolarHBondContact O-OG 3.47Å
126K85.4Confident79.4Confident139 Ų13989.3 Ų89.360%0.60448%0.478SS*.Hα-helixtrans-59.3-44.9178.9-168.7173.4-177.4176.80111.4S122 G123 S129 Q130S122-K126 WeakPolarHBondContact O-CB 3.15Å; S122-K126 PolarHBondContact O-N 2.89Å; G123-K126 PolarHBondContact O-N 2.93Å; K126-S129 PolarHBondContact O-N 3.38Å; K126-Q130 WeakPolarHBondContact O-CG 3.36Å; K126-Q130 PolarHBondContact O-N 2.96Å
127K87.7Confident81.3Confident158 Ų15885.1 Ų85.169%0.68747%0.467SS*.Hα-helixtrans-63.4-42.7174.9-74.4-175.9179.1-178.60112.9G123 R124 H125 S129 S131G123-K127 PolarHBondContact O-N 3.44Å; G123-K127 VanDerWaalsContact O-N 3.15Å; R124-K127 PolarHBondContact O-N 3.28Å; H125-K127 VanDerWaalsContact C-N 3.33Å; H125-K127 PolarHBondContact O-N 3.41Å; K127-S129 VanDerWaalsContact C-N 3.35Å; K127-S131 WeakPolarHBondContact O-CB 3.43Å; K127-S131 PolarHBondContact O-N 3.38Å; K127-S131 VanDerWaalsContact O-N 3.13Å
128I89.5Confident83.3Confident31 Ų3184.6 Ų84.616%0.15946%0.46CS..Hα-helixtrans-66-41.4178.5-64.3166.4000110.2K105 K108 I109 R124 H125 S131 V132K105-I128 HydrophobicContact CB-CG2 3.77Å; K105-I128 HydrophobicContact CD-CG2 4.41Å; K105-I128 HydrophobicContact CG-CG2 4.13Å; K108-I128 HydrophobicContact CB-CD1 4.35Å; I109-I128 HydrophobicContact CD1-CG2 3.88Å; I109-I128 HydrophobicContact CG1-CB 4.25Å; I109-I128 HydrophobicContact CG1-CG2 3.61Å; R124-I128 HydrophobicContact CG-CD1 4.48Å; R124-I128 VanDerWaalsContact O-CG1 3.25Å; R124-I128 WeakPolarHBondContact O-CG1 3.36Å; R124-I128 PolarHBondContact O-N 3.49Å; H125-I128 PolarHBondContact O-N 2.92Å; I128-S131 WeakPolarHBondContact O-CB 3.32Å; I128-S131 PolarHBondContact O-N 3.45Å; I128-V132 WeakPolarHBondContact O-CG2 3.48Å; I128-V132 PolarHBondContact O-N 3Å
129S88.1Confident85.3Confident43 Ų4381.8 Ų81.830%0.30143%0.427SS..Hα-helixtrans-64.3-47.7179.2-560000111.4H125 K126 K127 S131 V132 D133H125-S129 WeakPolarHBondContact O-CB 3.42Å; H125-S129 PolarHBondContact O-N 2.73Å; H125-S129 PolarHBondContact O-OG 3.47Å; K126-S129 PolarHBondContact O-N 3.38Å; K127-S129 VanDerWaalsContact C-N 3.35Å; S129-S131 PolarHBondContact O-N 2.87Å; S129-V132 CarbonylContact O-C 3.57Å; S129-V132 WeakPolarHBondContact O-CA 3.16Å; S129-V132 WeakPolarHBondContact O-CB 3.35Å; S129-V132 PolarHBondContact O-N 3.36Å; S129-D133 VanDerWaalsContact O-CG 3.29Å; S129-D133 PolarHBondContact O-N 2.89Å
130Q92.6Very high87.1Confident115 Ų11580.4 Ų80.454%0.53742%0.415SS..Hα-helixtrans-56.5-38.6173.8-74.1175.2-23.600112.6K126 D133 S134K126-Q130 WeakPolarHBondContact O-CG 3.36Å; K126-Q130 PolarHBondContact O-N 2.96Å; Q130-D133 PolarHBondContact O-N 3.27Å; Q130-S134 PolarHBondContact O-N 3.17Å
131S94.7Very high88.9Confident39 Ų3973.7 Ų73.727%0.27339%0.391SS..Hα-helixtrans-68.8-35.8175.5-1780000112.3K105 K127 I128 S129 L135K105-S131 WeakPolarHBondContact CE-OG 3.39Å; K105-S131 PolarHBondContact NZ-OG 3.46Å; K127-S131 WeakPolarHBondContact O-CB 3.43Å; K127-S131 PolarHBondContact O-N 3.38Å; K127-S131 VanDerWaalsContact O-N 3.13Å; I128-S131 WeakPolarHBondContact O-CB 3.32Å; I128-S131 PolarHBondContact O-N 3.45Å; S129-S131 PolarHBondContact O-N 2.87Å; S131-L135 WeakPolarHBondContact O-CB 3.43Å; S131-L135 VanDerWaalsContact O-CG 3.27Å; S131-L135 WeakPolarHBondContact O-CG 3.45Å; S131-L135 PolarHBondContact O-N 3.45Å
132V94.6Very high90.4Very high16 Ų1672.2 Ų72.210%0.09738%0.383CS..Hα-helixtrans-65.9-42172.7169.30000110.8I102 K105 I109 I128 S129 S134 L135 T136I102-V132 HydrophobicContact CG2-CG1 4.48Å; K105-V132 HydrophobicContact CB-CG2 3.49Å; K105-V132 VanDerWaalsContact CB-CG2 3.49Å; K105-V132 HydrophobicContact CD-CG2 3.9Å; K105-V132 HydrophobicContact CG-CG2 4.36Å; I109-V132 HydrophobicContact CD1-CG2 4.37Å; I128-V132 WeakPolarHBondContact O-CG2 3.48Å; I128-V132 PolarHBondContact O-N 3Å; S129-V132 CarbonylContact O-C 3.57Å; S129-V132 WeakPolarHBondContact O-CA 3.16Å; S129-V132 WeakPolarHBondContact O-CB 3.35Å; S129-V132 PolarHBondContact O-N 3.36Å; V132-S134 PolarHBondContact O-N 3.23Å; V132-L135 PolarHBondContact O-N 3Å; V132-T136 WeakPolarHBondContact O-CB 3.44Å; V132-T136 PolarHBondContact O-N 2.92Å; V132-T136 PolarHBondContact O-OG1 3.41Å
133D94.4Very high91.4Very high99 Ų9970.1 Ų70.153%0.52936%0.364SS..Hα-helixtrans-63.3-43.2178.7-62.2-26.2000111.2S129 Q130 T136 S137S129-D133 VanDerWaalsContact O-CG 3.29Å; S129-D133 PolarHBondContact O-N 2.89Å; Q130-D133 PolarHBondContact O-N 3.27Å; D133-T136 PolarHBondContact O-N 3Å; D133-S137 WeakPolarHBondContact O-CB 3.42Å; D133-S137 PolarHBondContact O-N 2.97Å; D133-S137 PolarHBondContact O-OG 3.5Å
134S96.3Very high92.1Very high81 Ų8175 Ų7557%0.56637%0.371SS*.Hα-helixtrans-62.4-45.21751730000112.3Q130 V132 S137 R138Q130-S134 PolarHBondContact O-N 3.17Å; V132-S134 PolarHBondContact O-N 3.23Å; S134-S137 PolarHBondContact O-N 3.39Å; S134-R138 PolarHBondContact O-N 3.42Å
135L97.5Very high92.6Very high33 Ų3368.4 Ų68.417%0.17335%0.349CS..Hα-helixtrans-65.8-40.7177.6-75.4170.4000111.8I98 E101 I102 K105 S131 V132 S137 R138 L139I98-L135 HydrophobicContact CG1-CD2 4.13Å; I98-L135 HydrophobicContact CG2-CB 4.16Å; I98-L135 HydrophobicContact CG2-CD2 4.24Å; I98-L135 WeakPolarHBondContact CG2-O 3.41Å; E101-L135 HydrophobicContact CB-CD1 4.19Å; E101-L135 HydrophobicContact CG-CD1 3.68Å; I102-L135 HydrophobicContact CD1-CB 3.95Å; I102-L135 HydrophobicContact CG1-CB 3.6Å; I102-L135 HydrophobicContact CG1-CD1 4.17Å; K105-L135 HydrophobicContact CD-CD1 3.95Å; K105-L135 VanDerWaalsContact CE-CD1 3.45Å; S131-L135 WeakPolarHBondContact O-CB 3.43Å; S131-L135 VanDerWaalsContact O-CG 3.27Å; S131-L135 WeakPolarHBondContact O-CG 3.45Å; S131-L135 PolarHBondContact O-N 3.45Å; V132-L135 PolarHBondContact O-N 3Å; L135-S137 VanDerWaalsContact C-N 3.31Å; L135-S137 PolarHBondContact O-N 3.43Å; L135-R138 PolarHBondContact O-N 3.31Å; L135-L139 WeakPolarHBondContact O-CB 3.47Å; L135-L139 PolarHBondContact O-N 3.2Å
136T95.9Very high92.8Very high45 Ų4567.4 Ų67.428%0.27634%0.344SS..Hα-helixtrans-63-40.4176.3-55.50000110.9V132 D133 L139 H140V132-T136 WeakPolarHBondContact O-CB 3.44Å; V132-T136 PolarHBondContact O-N 2.92Å; V132-T136 PolarHBondContact O-OG1 3.41Å; D133-T136 PolarHBondContact O-N 3Å; T136-L139 WeakPolarHBondContact O-CB 3.37Å; T136-L139 PolarHBondContact O-N 3.45Å; T136-H140 PolarHBondContact O-CD2 3.35Å; T136-H140 PolarHBondContact O-N 3.32Å
137S96.8Very high92.7Very high78 Ų7865.1 Ų65.155%0.54534%0.339SS..Hα-helixtrans-63.2-43.4175.4-57.80000111.8D133 S134 L135 H140 A141D133-S137 WeakPolarHBondContact O-CB 3.42Å; D133-S137 PolarHBondContact O-N 2.97Å; D133-S137 PolarHBondContact O-OG 3.5Å; S134-S137 PolarHBondContact O-N 3.39Å; L135-S137 VanDerWaalsContact C-N 3.31Å; L135-S137 PolarHBondContact O-N 3.43Å; S137-H140 PolarHBondContact O-N 3.39Å; S137-A141 PolarHBondContact O-N 2.9Å; S137-A141 VanDerWaalsContact O-N 3.14Å
138R97.2Very high92.5Very high113 Ų11360 Ų6043%0.42632%0.321SS..Hα-helixtrans-65.8-40.7175.3-178.760.4178168.74.9111.9E94 I98 S134 L135 H140 A141 I142E94-R138 VanDerWaalsContact CD-NH2 3.35Å; E94-R138 IonicContact OE1-CZ 3.33Å; E94-R138 IonicContact OE1-NE 2.74Å; E94-R138 PolarHBondContact OE1-NE 2.99Å; E94-R138 IonicContact OE1-NH2 3.06Å; E94-R138 PolarHBondContact OE1-NH2 3.49Å; E94-R138 IonicContact OE2-CZ 3.71Å; E94-R138 IonicContact OE2-NE 3.81Å; E94-R138 IonicContact OE2-NH2 2.79Å; E94-R138 PolarHBondContact OE2-NH2 3.01Å; I98-R138 HydrophobicContact CD1-CB 4.15Å; I98-R138 HydrophobicContact CD1-CG 3.5Å; I98-R138 VanDerWaalsContact CD1-CG 3.5Å; S134-R138 PolarHBondContact O-N 3.42Å; L135-R138 PolarHBondContact O-N 3.31Å; R138-H140 VanDerWaalsContact C-N 3.34Å; R138-H140 PolarHBondContact O-N 3.2Å; R138-A141 PolarHBondContact O-N 3.4Å; R138-I142 HydrophobicContact CG-CD1 4.12Å; R138-I142 WeakPolarHBondContact O-CG1 3.44Å; R138-I142 PolarHBondContact O-N 3.03Å
139L96.1Very high92.1Very high16 Ų1662.5 Ų62.58%0.08433%0.334CS..Hα-helixtrans-58.1-47.7175.3-177.261.6000110.8R95 I98 L99 I102 L135 T136 A141 I142 E143R95-L139 HydrophobicContact CG-CD1 3.7Å; I98-L139 HydrophobicContact CG2-CB 3.84Å; I98-L139 HydrophobicContact CG2-CD1 4.28Å; I98-L139 HydrophobicContact CG2-CG 4.48Å; L99-L139 HydrophobicContact CD2-CD1 4.33Å; L99-L139 HydrophobicContact CD2-CD2 3.62Å; L99-L139 HydrophobicContact CG-CD1 4.13Å; L99-L139 HydrophobicContact CG-CD2 4.28Å; I102-L139 HydrophobicContact CD1-CB 4.47Å; I102-L139 HydrophobicContact CD1-CD2 3.99Å; L135-L139 WeakPolarHBondContact O-CB 3.47Å; L135-L139 PolarHBondContact O-N 3.2Å; T136-L139 WeakPolarHBondContact O-CB 3.37Å; T136-L139 PolarHBondContact O-N 3.45Å; L139-A141 VanDerWaalsContact C-N 3.31Å; L139-A141 PolarHBondContact O-N 3.01Å; L139-I142 PolarHBondContact O-N 3.15Å; L139-E143 HydrophobicContact CD1-CG 4.2Å; L139-E143 HydrophobicContact CG-CG 4.35Å; L139-E143 WeakPolarHBondContact O-CB 3.25Å; L139-E143 WeakPolarHBondContact O-CG 3.12Å; L139-E143 PolarHBondContact O-N 2.62Å
140H95.1Very high91.8Very high121 Ų12161.5 Ų61.556%0.5633%0.326SS*.Hα-helixtrans-59.5-40.3176.5-83.8-51.7000112.8T136 S137 R138 E143 Y144T136-H140 PolarHBondContact O-CD2 3.35Å; T136-H140 PolarHBondContact O-N 3.32Å; S137-H140 PolarHBondContact O-N 3.39Å; R138-H140 VanDerWaalsContact C-N 3.34Å; R138-H140 PolarHBondContact O-N 3.2Å; H140-E143 PolarHBondContact O-N 2.86Å; H140-Y144 WeakPolarHBondContact O-CB 3.04Å; H140-Y144 PolarHBondContact O-N 3.43Å
141A94.9Very high91Very high42 Ų4260 Ų6035%0.34732%0.324SS..Hα-helixtrans-63.7-42.8175.700000112S137 R138 L139 Y144 I145S137-A141 PolarHBondContact O-N 2.9Å; S137-A141 VanDerWaalsContact O-N 3.14Å; R138-A141 PolarHBondContact O-N 3.4Å; L139-A141 VanDerWaalsContact C-N 3.31Å; L139-A141 PolarHBondContact O-N 3.01Å; A141-Y144 PolarHBondContact O-N 3.36Å; A141-I145 WeakPolarHBondContact O-CG1 3.47Å; A141-I145 PolarHBondContact O-N 3.01Å
142I93.8Very high90.3Very high2 Ų262.8 Ų62.81%0.0134%0.336CS..Hα-helixtrans-64.7-44.5176.2-71.7168.3000111.1I91 E94 R95 I98 R138 L139 Y144 I145 I146I91-I142 HydrophobicContact CG2-CG2 3.64Å; E94-I142 HydrophobicContact CB-CD1 4.16Å; E94-I142 VanDerWaalsContact CD-CD1 3.46Å; E94-I142 HydrophobicContact CG-CD1 3.75Å; R95-I142 HydrophobicContact CB-CG2 3.84Å; R95-I142 HydrophobicContact CG-CG2 4.18Å; I98-I142 HydrophobicContact CD1-CD1 3.53Å; R138-I142 HydrophobicContact CG-CD1 4.12Å; R138-I142 WeakPolarHBondContact O-CG1 3.44Å; R138-I142 PolarHBondContact O-N 3.03Å; L139-I142 PolarHBondContact O-N 3.15Å; I142-Y144 VanDerWaalsContact C-N 3.29Å; I142-Y144 PolarHBondContact O-N 3.02Å; I142-I145 PolarHBondContact O-N 3.46Å; I142-I146 HydrophobicContact CG2-CD1 3.67Å; I142-I146 HydrophobicContact CG2-CG1 4.38Å; I142-I146 WeakPolarHBondContact O-CG1 3.27Å; I142-I146 PolarHBondContact O-N 2.73Å
143E91.9Very high89.5Confident40 Ų4064.3 Ų64.319%0.18734%0.343CS..Hα-helixtrans-65-34.1178.4-70.8-175.4154.200111.8L4 R95 L139 H140 N147L4-E143 HydrophobicContact CD1-CG 3.86Å; R95-E143 IonicContact CZ-OE1 3.64Å; R95-E143 IonicContact NE-OE1 2.87Å; R95-E143 PolarHBondContact NE-OE1 2.9Å; R95-E143 IonicContact NH2-OE1 3.28Å; R95-E143 PolarHBondContact NH2-OE1 3.43Å; L139-E143 HydrophobicContact CD1-CG 4.2Å; L139-E143 HydrophobicContact CG-CG 4.35Å; L139-E143 WeakPolarHBondContact O-CB 3.25Å; L139-E143 WeakPolarHBondContact O-CG 3.12Å; L139-E143 PolarHBondContact O-N 2.62Å; H140-E143 PolarHBondContact O-N 2.86Å; E143-N147 VanDerWaalsContact O-CB 3.25Å; E143-N147 WeakPolarHBondContact O-CB 3.25Å; E143-N147 PolarHBondContact O-N 3.13Å; E143-N147 PolarHBondContact O-ND2 2.71Å
144Y90.4Very high88.7Confident146 Ų14663.2 Ų63.257%0.57334%0.34SS*.Hα-helixtrans-63.1-48.5170.5178-94.2000111.8H140 A141 I142 I146 N147 V148H140-Y144 WeakPolarHBondContact O-CB 3.04Å; H140-Y144 PolarHBondContact O-N 3.43Å; A141-Y144 PolarHBondContact O-N 3.36Å; I142-Y144 VanDerWaalsContact C-N 3.29Å; I142-Y144 PolarHBondContact O-N 3.02Å; Y144-I146 VanDerWaalsContact C-N 3.29Å; Y144-I146 PolarHBondContact O-N 2.89Å; Y144-N147 PolarHBondContact O-N 2.97Å; Y144-V148 HydrophobicContact CD2-CG2 3.92Å; Y144-V148 HydrophobicContact CE2-CB 4.45Å; Y144-V148 HydrophobicContact CE2-CG2 3.64Å; Y144-V148 HydrophobicContact CG-CG2 4.49Å; Y144-V148 WeakPolarHBondContact O-CB 3.3Å; Y144-V148 PolarHBondContact O-N 2.88Å
145I88.3Confident87.9Confident52 Ų5262.5 Ų62.527%0.26734%0.335SS..Iπ-helixtrans-59.2-42.2177.6-68.2164.5000110.8I91 A141 I142 N149 L150I91-I145 HydrophobicContact CD1-CG2 4.18Å; A141-I145 WeakPolarHBondContact O-CG1 3.47Å; A141-I145 PolarHBondContact O-N 3.01Å; I142-I145 PolarHBondContact O-N 3.46Å; I145-N149 HydrophobicContact CG2-CB 4.35Å; I145-N149 WeakPolarHBondContact O-CA 3.38Å; I145-N149 VanDerWaalsContact O-CB 3.28Å; I145-N149 WeakPolarHBondContact O-CB 3.46Å; I145-N149 PolarHBondContact O-N 3.34Å; I145-L150 PolarHBondContact O-N 2.86Å
146I87Confident87.1Confident6 Ų665.2 Ų65.23%0.03135%0.353CS..Iπ-helixtrans-67.6-45.7178.2-67.5165.6000111.2L4 I91 F92 I142 Y144 L150L4-I146 HydrophobicContact CD2-CG2 3.55Å; I91-I146 HydrophobicContact CG2-CD1 4.13Å; I91-I146 HydrophobicContact CG2-CG1 4.01Å; F92-I146 HydrophobicContact CD1-CD1 4.15Å; F92-I146 HydrophobicContact CE1-CD1 4.08Å; F92-I146 HydrophobicContact CE1-CG1 4.39Å; F92-I146 HydrophobicContact CE1-CG2 4.2Å; F92-I146 HydrophobicContact CZ-CG2 4.39Å; I142-I146 HydrophobicContact CG2-CD1 3.67Å; I142-I146 HydrophobicContact CG2-CG1 4.38Å; I142-I146 WeakPolarHBondContact O-CG1 3.27Å; I142-I146 PolarHBondContact O-N 2.73Å; Y144-I146 VanDerWaalsContact C-N 3.29Å; Y144-I146 PolarHBondContact O-N 2.89Å; I146-L150 HydrophobicContact CB-CD1 4.21Å; I146-L150 HydrophobicContact CG1-CD1 3.98Å; I146-L150 HydrophobicContact CG2-CD1 4.12Å; I146-L150 WeakPolarHBondContact O-CB 3.36Å
147N84.3Confident86.5Confident91 Ų9163.6 Ų63.649%0.48734%0.343SS..Iπ-helixtrans-75.9-28.9-174-72.6-35.8000113.8E143 Y144 V151E143-N147 VanDerWaalsContact O-CB 3.25Å; E143-N147 WeakPolarHBondContact O-CB 3.25Å; E143-N147 PolarHBondContact O-N 3.13Å; E143-N147 PolarHBondContact O-ND2 2.71Å; Y144-N147 PolarHBondContact O-N 2.97Å; N147-V151 WeakPolarHBondContact O-CG2 3.39Å
148V82.5Confident85.8Confident50 Ų5066.7 Ų66.730%0.30335%0.349SS..Iπ-helixtrans-100.6-64.6-178.8-178.10000109.7Y144 L150 V151 D152Y144-V148 HydrophobicContact CD2-CG2 3.92Å; Y144-V148 HydrophobicContact CE2-CB 4.45Å; Y144-V148 HydrophobicContact CE2-CG2 3.64Å; Y144-V148 HydrophobicContact CG-CG2 4.49Å; Y144-V148 WeakPolarHBondContact O-CB 3.3Å; Y144-V148 PolarHBondContact O-N 2.88Å; V148-L150 PolarHBondContact O-N 3.3Å; V148-V151 PolarHBondContact O-N 3.34Å; V148-D152 PolarHBondContact O-N 3.06Å; V148-D152 VanDerWaalsContact O-N 3.14Å
149N82.1Confident85.3Confident84 Ų8465.9 Ų65.945%0.44936%0.356SS..Iπ-helixtrans-69.5-36.3-168.9-57.19.4000112.8I145 L153I145-N149 HydrophobicContact CG2-CB 4.35Å; I145-N149 WeakPolarHBondContact O-CA 3.38Å; I145-N149 VanDerWaalsContact O-CB 3.28Å; I145-N149 WeakPolarHBondContact O-CB 3.46Å; I145-N149 PolarHBondContact O-N 3.34Å; N149-L153 VanDerWaalsContact O-CB 3.23Å; N149-L153 WeakPolarHBondContact O-CB 3.11Å; N149-L153 PolarHBondContact O-N 3.33Å
150L81.6Confident84.7Confident23 Ų2368 Ų6812%0.1237%0.365CS..Hα-helixtrans-74.9-29.1178.8-67.3178.1000113I88 F92 I145 I146 V148 L153 T154I88-L150 HydrophobicContact CB-CD2 4.5Å; I88-L150 HydrophobicContact CD1-CD2 4Å; I88-L150 HydrophobicContact CG1-CD2 4.13Å; I88-L150 HydrophobicContact CG2-CD1 3.97Å; I88-L150 HydrophobicContact CG2-CD2 3.57Å; I88-L150 HydrophobicContact CG2-CG 4.44Å; F92-L150 HydrophobicContact CE2-CD1 3.76Å; F92-L150 HydrophobicContact CZ-CD1 3.64Å; I145-L150 PolarHBondContact O-N 2.86Å; I146-L150 HydrophobicContact CB-CD1 4.21Å; I146-L150 HydrophobicContact CG1-CD1 3.98Å; I146-L150 HydrophobicContact CG2-CD1 4.12Å; I146-L150 WeakPolarHBondContact O-CB 3.36Å; V148-L150 PolarHBondContact O-N 3.3Å; L150-L153 HydrophobicContact CD2-CD2 3.98Å; L150-T154 WeakPolarHBondContact O-CB 3.44Å; L150-T154 PolarHBondContact O-N 3.07Å; L150-T154 PolarHBondContact O-OG1 2.82Å
151V76.2Confident84.1Confident83 Ų8363.7 Ų63.750%0.50335%0.346SS..Hα-helixtrans-65.7-50173.6173.90000109.4N147 V148 L153 T154 S155N147-V151 WeakPolarHBondContact O-CG2 3.39Å; V148-V151 PolarHBondContact O-N 3.34Å; V151-L153 VanDerWaalsContact C-N 3.3Å; V151-L153 PolarHBondContact O-N 3.43Å; V151-T154 WeakPolarHBondContact O-CB 3.32Å; V151-T154 PolarHBondContact O-N 3.42Å; V151-T154 VanDerWaalsContact O-N 3.09Å; V151-S155 PolarHBondContact O-N 2.84Å; V151-S155 VanDerWaalsContact O-N 3.1Å
152D78.6Confident83.6Confident97 Ų9764.6 Ų64.652%0.51935%0.35SS..Hα-helixtrans-60.8-40.4176.8-69.4-17.9000112V148 T154 S155 T156V148-D152 PolarHBondContact O-N 3.06Å; V148-D152 VanDerWaalsContact O-N 3.14Å; D152-T154 VanDerWaalsContact C-N 3.33Å; D152-T154 PolarHBondContact O-N 3.23Å; D152-S155 PolarHBondContact O-N 2.93Å; D152-T156 WeakPolarHBondContact O-CB 3.15Å; D152-T156 PolarHBondContact O-N 2.9Å; D152-T156 PolarHBondContact O-OG1 3.12Å
153L79.6Confident83.2Confident48 Ų4867.7 Ų67.725%0.25137%0.372SS..Hα-helixtrans-62.2-40.9175.2-178.863.4000111.5I84 I88 N149 L150 V151 T156 L157I84-L153 HydrophobicContact CD1-CD1 4.48Å; I84-L153 HydrophobicContact CD1-CD2 4.27Å; I88-L153 HydrophobicContact CD1-CD2 3.51Å; N149-L153 VanDerWaalsContact O-CB 3.23Å; N149-L153 WeakPolarHBondContact O-CB 3.11Å; N149-L153 PolarHBondContact O-N 3.33Å; L150-L153 HydrophobicContact CD2-CD2 3.98Å; V151-L153 VanDerWaalsContact C-N 3.3Å; V151-L153 PolarHBondContact O-N 3.43Å; L153-T156 PolarHBondContact O-N 3.42Å; L153-L157 HydrophobicContact CD1-CD1 4.31Å; L153-L157 HydrophobicContact CD1-CG 4.19Å; L153-L157 HydrophobicContact CG-CD1 3.96Å; L153-L157 HydrophobicContact CG-CG 4.29Å; L153-L157 WeakPolarHBondContact O-CB 3.43Å; L153-L157 WeakPolarHBondContact O-CG 2.84Å; L153-L157 PolarHBondContact O-N 3.27Å
154T77.1Confident82.7Confident76 Ų7666 Ų6647%0.46636%0.364SS..Hα-helixtrans-63.8-47.2179.9-57.10000110.8L150 V151 D152 T156 L157 E158L150-T154 WeakPolarHBondContact O-CB 3.44Å; L150-T154 PolarHBondContact O-N 3.07Å; L150-T154 PolarHBondContact O-OG1 2.82Å; V151-T154 WeakPolarHBondContact O-CB 3.32Å; V151-T154 PolarHBondContact O-N 3.42Å; V151-T154 VanDerWaalsContact O-N 3.09Å; D152-T154 VanDerWaalsContact C-N 3.33Å; D152-T154 PolarHBondContact O-N 3.23Å; T154-T156 VanDerWaalsContact C-N 3.33Å; T154-T156 PolarHBondContact O-N 3.49Å; T154-L157 PolarHBondContact O-N 2.95Å; T154-E158 PolarHBondContact O-N 2.98Å
155S78.9Confident82.1Confident66 Ų6663.8 Ų63.846%0.46236%0.358SS..Hα-helixtrans-63.1-40175.9-62.30000112.1V151 D152 E158 V159V151-S155 PolarHBondContact O-N 2.84Å; V151-S155 VanDerWaalsContact O-N 3.1Å; D152-S155 PolarHBondContact O-N 2.93Å; S155-E158 PolarHBondContact O-N 3.42Å; S155-V159 WeakPolarHBondContact O-CG2 3.26Å; S155-V159 PolarHBondContact O-N 3.41Å
156T81.5Confident81.9Confident90 Ų9066.6 Ų66.655%0.55237%0.369SS*.Hα-helixtrans-64.8-41.4176.8-570000111.4D152 L153 T154 V159 F160D152-T156 WeakPolarHBondContact O-CB 3.15Å; D152-T156 PolarHBondContact O-N 2.9Å; D152-T156 PolarHBondContact O-OG1 3.12Å; L153-T156 PolarHBondContact O-N 3.42Å; T154-T156 VanDerWaalsContact C-N 3.33Å; T154-T156 PolarHBondContact O-N 3.49Å; T156-V159 PolarHBondContact O-N 2.85Å; T156-F160 VanDerWaalsContact O-CB 3.24Å; T156-F160 WeakPolarHBondContact O-CB 2.97Å; T156-F160 PolarHBondContact O-N 3.2Å
157L83Confident81.6Confident12 Ų1267.8 Ų67.86%0.06338%0.38CS..Hα-helixtrans-62.4-44.1175.5-77171.9000111L14 I81 L153 T154 V159 F160 L161L14-L157 HydrophobicContact CD2-CD1 4.24Å; I81-L157 HydrophobicContact CB-CD2 4.24Å; I81-L157 HydrophobicContact CD1-CD2 3.48Å; I81-L157 VanDerWaalsContact CD1-CD2 3.48Å; I81-L157 HydrophobicContact CG1-CD2 3.67Å; I81-L157 HydrophobicContact CG2-CD2 3.51Å; L153-L157 HydrophobicContact CD1-CD1 4.31Å; L153-L157 HydrophobicContact CD1-CG 4.19Å; L153-L157 HydrophobicContact CG-CD1 3.96Å; L153-L157 HydrophobicContact CG-CG 4.29Å; L153-L157 WeakPolarHBondContact O-CB 3.43Å; L153-L157 WeakPolarHBondContact O-CG 2.84Å; L153-L157 PolarHBondContact O-N 3.27Å; T154-L157 PolarHBondContact O-N 2.95Å; L157-V159 PolarHBondContact O-N 3.41Å; L157-F160 WeakPolarHBondContact O-CB 3.03Å; L157-F160 PolarHBondContact O-N 2.79Å; L157-F160 VanDerWaalsContact O-N 3.17Å; L157-L161 VanDerWaalsContact O-CG 3.22Å; L157-L161 WeakPolarHBondContact O-CG 3.46Å; L157-L161 PolarHBondContact O-N 3.42Å
158E82.8Confident81.3Confident142 Ų14265.6 Ų65.666%0.66437%0.367SS*.Hα-helixtrans-58-48.3178.4-172.8175.2-177.400112.2T154 S155 F160 L161 S162T154-E158 PolarHBondContact O-N 2.98Å; S155-E158 PolarHBondContact O-N 3.42Å; E158-F160 VanDerWaalsContact C-N 3.33Å; E158-F160 PolarHBondContact O-N 3.21Å; E158-L161 PolarHBondContact O-N 3Å; E158-S162 WeakPolarHBondContact O-CB 3.39Å; E158-S162 PolarHBondContact O-N 2.91Å
159V85.4Confident81.1Confident97 Ų9768.5 Ų68.559%0.58838%0.38SS*.Hα-helixtrans-61.4-43.5175.4174.70000111S155 T156 L157 S162 S163S155-V159 WeakPolarHBondContact O-CG2 3.26Å; S155-V159 PolarHBondContact O-N 3.41Å; T156-V159 PolarHBondContact O-N 2.85Å; L157-V159 PolarHBondContact O-N 3.41Å; V159-S162 PolarHBondContact O-N 2.84Å; V159-S163 WeakPolarHBondContact O-CB 3.47Å; V159-S163 PolarHBondContact O-N 3.13Å; V159-S163 PolarHBondContact O-OG 3.04Å
160F84.1Confident81.1Confident61 Ų6169.8 Ų69.827%0.26839%0.387SS..Hα-helixtrans-61.5-49.2179174.9-92.4000112P77 I81 T156 L157 E158 S162 S163 S164P77-F160 HydrophobicContact CB-CE1 3.83Å; P77-F160 HydrophobicContact CB-CE2 3.63Å; P77-F160 HydrophobicContact CB-CZ 3.04Å; P77-F160 HydrophobicContact CG-CE2 4.22Å; P77-F160 HydrophobicContact CG-CZ 3.83Å; I81-F160 HydrophobicContact CD1-CD1 3.35Å; I81-F160 HydrophobicContact CD1-CE1 3.48Å; I81-F160 VanDerWaalsContact CD1-CE1 3.48Å; I81-F160 HydrophobicContact CD1-CG 4.2Å; I81-F160 HydrophobicContact CD1-CZ 4.43Å; T156-F160 VanDerWaalsContact O-CB 3.24Å; T156-F160 WeakPolarHBondContact O-CB 2.97Å; T156-F160 PolarHBondContact O-N 3.2Å; L157-F160 WeakPolarHBondContact O-CB 3.03Å; L157-F160 PolarHBondContact O-N 2.79Å; L157-F160 VanDerWaalsContact O-N 3.17Å; E158-F160 VanDerWaalsContact C-N 3.33Å; E158-F160 PolarHBondContact O-N 3.21Å; F160-S162 PolarHBondContact O-N 3.36Å; F160-S163 PolarHBondContact O-N 3.28Å; F160-S164 WeakPolarHBondContact CE1-OG 3.36Å; F160-S164 WeakPolarHBondContact CZ-OG 3.45Å; F160-S164 WeakPolarHBondContact O-CB 3.3Å; F160-S164 PolarHBondContact O-N 3.42Å; F160-S164 PolarHBondContact O-OG 2.73Å
161L81.8Confident80.9Confident30 Ų3069.1 Ų69.116%0.15738%0.384CS..Hα-helixtrans-64.7-43-179.6-60.8174.7000110.5L18 W21 L157 E158 S163 S164 F165L18-L161 HydrophobicContact CD2-CD1 4.02Å; L18-L161 HydrophobicContact CD2-CD2 3.96Å; W21-L161 HydrophobicContact CE3-CD2 4.09Å; W21-L161 HydrophobicContact CH2-CD2 4.07Å; W21-L161 HydrophobicContact CZ3-CB 4.18Å; W21-L161 HydrophobicContact CZ3-CD1 4.4Å; W21-L161 HydrophobicContact CZ3-CD2 3.28Å; W21-L161 HydrophobicContact CZ3-CG 4.08Å; L157-L161 VanDerWaalsContact O-CG 3.22Å; L157-L161 WeakPolarHBondContact O-CG 3.46Å; L157-L161 PolarHBondContact O-N 3.42Å; E158-L161 PolarHBondContact O-N 3Å; L161-S163 VanDerWaalsContact C-N 3.34Å; L161-S163 PolarHBondContact O-N 3.48Å; L161-S164 PolarHBondContact O-N 3Å; L161-F165 WeakPolarHBondContact O-CD2 3.43Å; L161-F165 PolarHBondContact O-N 2.96Å
162S84.9Confident81Confident61 Ų6166.5 Ų66.543%0.42737%0.368SS..Hα-helixtrans-58.2-46.5175.4-175.50000111.8E158 V159 F160 S164 F165 H166E158-S162 WeakPolarHBondContact O-CB 3.39Å; E158-S162 PolarHBondContact O-N 2.91Å; V159-S162 PolarHBondContact O-N 2.84Å; F160-S162 PolarHBondContact O-N 3.36Å; S162-S164 VanDerWaalsContact C-N 3.33Å; S162-S164 PolarHBondContact O-N 2.73Å; S162-F165 PolarHBondContact O-N 2.88Å; S162-H166 PolarHBondContact O-N 3Å; S162-H166 PolarHBondContact O-ND1 3.3Å
163S85.4Confident80.9Confident67 Ų6769.1 Ų69.147%0.46937%0.372SS..Hα-helixtrans-64.3-38.8177.8-55.80000111.8V159 F160 L161 H166 A167V159-S163 WeakPolarHBondContact O-CB 3.47Å; V159-S163 PolarHBondContact O-N 3.13Å; V159-S163 PolarHBondContact O-OG 3.04Å; F160-S163 PolarHBondContact O-N 3.28Å; L161-S163 VanDerWaalsContact C-N 3.34Å; L161-S163 PolarHBondContact O-N 3.48Å; S163-H166 PolarHBondContact O-N 3.04Å; S163-A167 PolarHBondContact O-N 3.3Å
164S80.4Confident80.9Confident5 Ų571.2 Ų71.24%0.03538%0.381CS..Hα-helixtrans-65.8-41.3178-540000111.6S73 L74 F160 L161 S162 A167 H168S73-S164 PolarHBondContact O-OG 3.4Å; L74-S164 WeakPolarHBondContact CD2-O 3.21Å; F160-S164 WeakPolarHBondContact CE1-OG 3.36Å; F160-S164 WeakPolarHBondContact CZ-OG 3.45Å; F160-S164 WeakPolarHBondContact O-CB 3.3Å; F160-S164 PolarHBondContact O-N 3.42Å; F160-S164 PolarHBondContact O-OG 2.73Å; L161-S164 PolarHBondContact O-N 3Å; S162-S164 VanDerWaalsContact C-N 3.33Å; S162-S164 PolarHBondContact O-N 2.73Å; S164-A167 PolarHBondContact O-N 2.94Å; S164-H168 PolarHBondContact O-N 3.04Å
165F78.8Confident81Confident98 Ų9869.2 Ų69.243%0.4337%0.366SS..Hα-helixtrans-63.9-40174.3-82.1-63.8000112.6W21 L161 S162 H168 L169W21-F165 HydrophobicContact CD2-CZ 4.42Å; W21-F165 AromaticContact CE2-CZ 3.85Å; W21-F165 HydrophobicContact CE3-CZ 4.41Å; W21-F165 HydrophobicContact CH2-CD1 4.44Å; W21-F165 AromaticContact CH2-CD2 3.88Å; W21-F165 HydrophobicContact CH2-CD2 3.88Å; W21-F165 AromaticContact CH2-CE1 3.95Å; W21-F165 HydrophobicContact CH2-CE1 3.95Å; W21-F165 AromaticContact CH2-CE2 3.3Å; W21-F165 HydrophobicContact CH2-CE2 3.3Å; W21-F165 HydrophobicContact CH2-CG 4.4Å; W21-F165 AromaticContact CH2-CZ 3.34Å; W21-F165 HydrophobicContact CH2-CZ 3.34Å; W21-F165 HydrophobicContact CZ2-CD1 4.22Å; W21-F165 HydrophobicContact CZ2-CD2 4.44Å; W21-F165 AromaticContact CZ2-CE1 3.57Å; W21-F165 HydrophobicContact CZ2-CE1 3.57Å; W21-F165 AromaticContact CZ2-CE2 3.83Å; W21-F165 HydrophobicContact CZ2-CE2 3.83Å; W21-F165 AromaticContact CZ2-CZ 3.34Å; W21-F165 HydrophobicContact CZ2-CZ 3.34Å; W21-F165 AromaticContact CZ3-CE2 3.7Å; W21-F165 HydrophobicContact CZ3-CE2 3.7Å; W21-F165 AromaticContact CZ3-CZ 3.86Å; W21-F165 HydrophobicContact CZ3-CZ 3.86Å; L161-F165 WeakPolarHBondContact O-CD2 3.43Å; L161-F165 PolarHBondContact O-N 2.96Å; S162-F165 PolarHBondContact O-N 2.88Å; F165-H168 WeakPolarHBondContact O-CB 3.37Å; F165-H168 PolarHBondContact O-N 3.45Å; F165-L169 WeakPolarHBondContact O-CG 3.45Å; F165-L169 PolarHBondContact O-N 2.94Å
166H83.9Confident81Confident111 Ų11172.3 Ų72.351%0.51437%0.371SS..Hα-helixtrans-62.4-47.8174.5-78.471.3000111.1S162 S163 H168 L169 D170S162-H166 PolarHBondContact O-N 3Å; S162-H166 PolarHBondContact O-ND1 3.3Å; S163-H166 PolarHBondContact O-N 3.04Å; H166-H168 VanDerWaalsContact C-N 3.27Å; H166-H168 PolarHBondContact O-N 3.3Å; H166-L169 PolarHBondContact O-N 3.38Å; H166-L169 VanDerWaalsContact O-N 3.13Å; H166-D170 PolarHBondContact O-N 2.85Å
167A81.4Confident80.9Confident32 Ų3272.6 Ų72.626%0.26437%0.366SS..Hα-helixtrans-58.6-39.5176.400000112.3S163 S164 C171S163-A167 PolarHBondContact O-N 3.3Å; S164-A167 PolarHBondContact O-N 2.94Å; A167-C171 VanDerWaalsContact O-CB 3.25Å; A167-C171 WeakPolarHBondContact O-CB 3.23Å; A167-C171 PolarHBondContact O-N 3.5Å
168H77.6Confident80.6Confident45 Ų4575.7 Ų75.721%0.20838%0.379CS..Hα-helixtrans-62-47.7174.6-171.753.3000112.3Y66 N70 L74 S164 F165 H166 C171 T172Y66-H168 PolarHBondContact OH-CE1 2.94Å; N70-H168 PolarHBondContact OD1-ND1 3.38Å; L74-H168 HydrophobicContact CD1-CB 3.56Å; L74-H168 WeakPolarHBondContact CD1-ND1 3.45Å; L74-H168 HydrophobicContact CD2-CB 4.22Å; L74-H168 HydrophobicContact CG-CB 4.36Å; S164-H168 PolarHBondContact O-N 3.04Å; F165-H168 WeakPolarHBondContact O-CB 3.37Å; F165-H168 PolarHBondContact O-N 3.45Å; H166-H168 VanDerWaalsContact C-N 3.27Å; H166-H168 PolarHBondContact O-N 3.3Å; H168-C171 PolarHBondContact O-N 3.28Å; H168-T172 VanDerWaalsContact O-CB 3.3Å; H168-T172 WeakPolarHBondContact O-CB 3.42Å; H168-T172 PolarHBondContact O-N 3.04Å; H168-T172 PolarHBondContact O-OG1 3.39Å
169L79.1Confident80.2Confident111 Ų11170.6 Ų70.658%0.58136%0.361SS*.Hα-helixtrans-63.4-45.9-179.6-75.6171000111.4F165 H166 C171 T172 Y173F165-L169 WeakPolarHBondContact O-CG 3.45Å; F165-L169 PolarHBondContact O-N 2.94Å; H166-L169 PolarHBondContact O-N 3.38Å; H166-L169 VanDerWaalsContact O-N 3.13Å; L169-C171 VanDerWaalsContact C-N 3.34Å; L169-C171 PolarHBondContact O-N 3.23Å; L169-T172 PolarHBondContact O-N 3.21Å; L169-Y173 WeakPolarHBondContact O-CB 3.38Å; L169-Y173 PolarHBondContact O-N 2.84Å
170D80.3Confident79.7Confident110 Ų11069.5 Ų69.559%0.58836%0.358SS*.Hα-helixtrans-61.2-44.8178.3-70.6-19.8000110.9H166 T172 Y173 E174H166-D170 PolarHBondContact O-N 2.85Å; D170-T172 PolarHBondContact O-N 2.92Å; D170-Y173 PolarHBondContact O-N 3.34Å; D170-E174 WeakPolarHBondContact O-CB 3.43Å; D170-E174 PolarHBondContact O-N 3.16Å
171C79Confident79.4Confident9 Ų970.9 Ų70.96%0.06137%0.367CS..Hα-helixtrans-66.8-38.7178.4-163.30000112.2Y66 T69 A167 H168 L169 E174 F175Y66-C171 HydrophobicContact CD2-CB 4.26Å; Y66-C171 WeakPolarHBondContact CD2-SG 3.39Å; Y66-C171 HydrophobicContact CE2-CB 4.34Å; T69-C171 WeakPolarHBondContact CB-SG 3.49Å; T69-C171 HydrophobicContact CG2-CB 3.83Å; T69-C171 VanDerWaalsContact CG2-SG 3.54Å; A167-C171 VanDerWaalsContact O-CB 3.25Å; A167-C171 WeakPolarHBondContact O-CB 3.23Å; A167-C171 PolarHBondContact O-N 3.5Å; H168-C171 PolarHBondContact O-N 3.28Å; L169-C171 VanDerWaalsContact C-N 3.34Å; L169-C171 PolarHBondContact O-N 3.23Å; C171-E174 PolarHBondContact O-N 3.48Å; C171-F175 WeakPolarHBondContact O-CB 3.36Å; C171-F175 PolarHBondContact O-N 3.17Å
172T77.9Confident79Confident28 Ų2870 Ų7017%0.17236%0.362CS..Hα-helixtrans-64.9-43.4176.2-58.40000111Y66 H168 L169 D170 F175 F176Y66-T172 PolarHBondContact OH-OG1 3.09Å; H168-T172 VanDerWaalsContact O-CB 3.3Å; H168-T172 WeakPolarHBondContact O-CB 3.42Å; H168-T172 PolarHBondContact O-N 3.04Å; H168-T172 PolarHBondContact O-OG1 3.39Å; L169-T172 PolarHBondContact O-N 3.21Å; D170-T172 PolarHBondContact O-N 2.92Å; T172-F175 PolarHBondContact O-N 2.96Å; T172-F176 HydrophobicContact CG2-CD2 3.75Å; T172-F176 HydrophobicContact CG2-CE2 3.58Å; T172-F176 VanDerWaalsContact O-CD2 3.23Å; T172-F176 WeakPolarHBondContact O-CD2 3.43Å; T172-F176 PolarHBondContact O-N 2.98Å
173Y76.7Confident78.4Confident152 Ų15269.9 Ų69.960%0.59636%0.357SS*.Hα-helixtrans-60.1-49.7175.2173.7-99.2000111.3L169 D170 F175 F176 Q177L169-Y173 WeakPolarHBondContact O-CB 3.38Å; L169-Y173 PolarHBondContact O-N 2.84Å; D170-Y173 PolarHBondContact O-N 3.34Å; Y173-F175 VanDerWaalsContact C-N 3.31Å; Y173-F175 PolarHBondContact O-N 2.87Å; Y173-F176 PolarHBondContact O-N 2.86Å; Y173-Q177 WeakPolarHBondContact O-CB 3.29Å; Y173-Q177 PolarHBondContact O-N 3.33Å
174E79.8Confident77.7Confident92 Ų9269 Ų6943%0.4335%0.346SS..Hα-helixtrans-61.2-40.1178.8-169.4-177.2175.200111.6D170 C171 Q177 K178D170-E174 WeakPolarHBondContact O-CB 3.43Å; D170-E174 PolarHBondContact O-N 3.16Å; C171-E174 PolarHBondContact O-N 3.48Å; E174-Q177 PolarHBondContact O-N 2.78Å; E174-K178 HydrophobicContact CG-CD 4.34Å; E174-K178 WeakPolarHBondContact O-CG 3.38Å; E174-K178 PolarHBondContact O-N 3.22Å; E174-K178 WeakPolarHBondContact OE1-CE 3.42Å; E174-K178 IonicContact OE1-NZ 2.62Å; E174-K178 PolarHBondContact OE1-NZ 2.88Å
175F79.2Confident77.3Confident34 Ų3473.3 Ų73.315%0.14937%0.365CS..Hα-helixtrans-58-54.2174.8172.6-92.3000111.6I62 Y66 C171 T172 Y173 Q177 K178 A179I62-F175 HydrophobicContact CG2-CD2 3.5Å; I62-F175 VanDerWaalsContact CG2-CD2 3.5Å; I62-F175 HydrophobicContact CG2-CE2 3.88Å; I62-F175 HydrophobicContact CG2-CG 4.36Å; Y66-F175 HydrophobicContact CD1-CD2 4.23Å; Y66-F175 HydrophobicContact CD1-CG 4.49Å; Y66-F175 HydrophobicContact CD2-CB 3.69Å; Y66-F175 HydrophobicContact CD2-CD2 4.38Å; Y66-F175 HydrophobicContact CD2-CG 4.17Å; Y66-F175 HydrophobicContact CE2-CB 4.24Å; Y66-F175 HydrophobicContact CG-CB 4.07Å; Y66-F175 AromaticContact CG-CD2 3.88Å; Y66-F175 HydrophobicContact CG-CD2 3.88Å; Y66-F175 HydrophobicContact CG-CG 4.1Å; C171-F175 WeakPolarHBondContact O-CB 3.36Å; C171-F175 PolarHBondContact O-N 3.17Å; T172-F175 PolarHBondContact O-N 2.96Å; Y173-F175 VanDerWaalsContact C-N 3.31Å; Y173-F175 PolarHBondContact O-N 2.87Å; F175-Q177 VanDerWaalsContact C-N 3.31Å; F175-Q177 PolarHBondContact O-N 3.01Å; F175-K178 PolarHBondContact O-N 3.46Å; F175-A179 VanDerWaalsContact O-CB 3.29Å; F175-A179 WeakPolarHBondContact O-CB 3.45Å; F175-A179 PolarHBondContact O-N 3.14Å
176F78Confident76.9Confident131 Ų13172.7 Ų72.758%0.57537%0.365SS*.Hα-helixtrans-66.4-33.8-178.2-78.8-63.6000112.5T172 Y173 S180T172-F176 HydrophobicContact CG2-CD2 3.75Å; T172-F176 HydrophobicContact CG2-CE2 3.58Å; T172-F176 VanDerWaalsContact O-CD2 3.23Å; T172-F176 WeakPolarHBondContact O-CD2 3.43Å; T172-F176 PolarHBondContact O-N 2.98Å; Y173-F176 PolarHBondContact O-N 2.86Å; F176-S180 VanDerWaalsContact O-CB 3.22Å; F176-S180 WeakPolarHBondContact O-CB 3.39Å; F176-S180 PolarHBondContact O-N 3.31Å
177Q78.7Confident76.1Confident97 Ų9767.9 Ų67.945%0.45334%0.344SS..Hα-helixtrans-63.1-49.2174.8-168.1-175.926.600111Y173 E174 F175 S180 I181Y173-Q177 WeakPolarHBondContact O-CB 3.29Å; Y173-Q177 PolarHBondContact O-N 3.33Å; E174-Q177 PolarHBondContact O-N 2.78Å; F175-Q177 VanDerWaalsContact C-N 3.31Å; F175-Q177 PolarHBondContact O-N 3.01Å; Q177-S180 PolarHBondContact O-N 3.37Å; Q177-I181 WeakPolarHBondContact O-CG1 3.42Å; Q177-I181 PolarHBondContact O-N 3.44Å; Q177-I181 VanDerWaalsContact O-N 3.08Å
178K77.7Confident75.6Confident77 Ų7771 Ų7134%0.33536%0.356SS..Hα-helixtrans-66.2-41.1178.1-68.2-179.6-175.31700111.9I62 E174 F175 S180 I181 V182I62-K178 HydrophobicContact CD1-CB 3.56Å; I62-K178 HydrophobicContact CD1-CD 4.47Å; I62-K178 HydrophobicContact CG1-CB 3.88Å; I62-K178 HydrophobicContact CG1-CD 3.94Å; I62-K178 HydrophobicContact CG2-CB 4.1Å; I62-K178 HydrophobicContact CG2-CD 4.49Å; E174-K178 HydrophobicContact CG-CD 4.34Å; E174-K178 WeakPolarHBondContact O-CG 3.38Å; E174-K178 PolarHBondContact O-N 3.22Å; E174-K178 WeakPolarHBondContact OE1-CE 3.42Å; E174-K178 IonicContact OE1-NZ 2.62Å; E174-K178 PolarHBondContact OE1-NZ 2.88Å; F175-K178 PolarHBondContact O-N 3.46Å; K178-S180 VanDerWaalsContact C-N 3.31Å; K178-S180 PolarHBondContact O-N 2.98Å; K178-I181 PolarHBondContact O-N 3.33Å; K178-V182 WeakPolarHBondContact O-CG2 3.16Å; K178-V182 PolarHBondContact O-N 3.47Å
179A74.4Confident75.2Confident34 Ų3473.5 Ų73.528%0.28137%0.37SS..Hα-helixtrans-61.3-39.9175.500000111.8F175 V182 N183F175-A179 VanDerWaalsContact O-CB 3.29Å; F175-A179 WeakPolarHBondContact O-CB 3.45Å; F175-A179 PolarHBondContact O-N 3.14Å; A179-V182 PolarHBondContact O-N 2.86Å; A179-N183 WeakPolarHBondContact O-CB 3.49Å; A179-N183 PolarHBondContact O-N 2.89Å
180S74.2Confident74.7Confident74 Ų7472.7 Ų72.752%0.51737%0.366SS..Hα-helixtrans-63.5-41.9175.4178.40000112.1F176 Q177 K178 N183 Q184F176-S180 VanDerWaalsContact O-CB 3.22Å; F176-S180 WeakPolarHBondContact O-CB 3.39Å; F176-S180 PolarHBondContact O-N 3.31Å; Q177-S180 PolarHBondContact O-N 3.37Å; K178-S180 VanDerWaalsContact C-N 3.31Å; K178-S180 PolarHBondContact O-N 2.98Å; S180-N183 PolarHBondContact O-N 3.25Å; S180-Q184 PolarHBondContact O-N 3.08Å
181I78.1Confident74.1Confident91 Ų9174.4 Ų74.447%0.46738%0.375SS..Hα-helixtrans-61.1-47.2175.3-68165.1000110.6Q177 K178 N183 Q184 Q185Q177-I181 WeakPolarHBondContact O-CG1 3.42Å; Q177-I181 PolarHBondContact O-N 3.44Å; Q177-I181 VanDerWaalsContact O-N 3.08Å; K178-I181 PolarHBondContact O-N 3.33Å; I181-N183 VanDerWaalsContact C-N 3.33Å; I181-N183 PolarHBondContact O-N 3.4Å; I181-Q184 WeakPolarHBondContact O-CB 3.45Å; I181-Q184 PolarHBondContact O-N 2.86Å; I181-Q185 WeakPolarHBondContact O-CG 3.44Å; I181-Q185 PolarHBondContact O-N 2.92Å
182V73.3Confident73.1Confident10 Ų1075.5 Ų75.56%0.06138%0.382CS..Hα-helixtrans-63.1-40.8178.3173.30000111.3L55 V59 I62 K178 A179 Q184 Q185 M186L55-V182 HydrophobicContact CD2-CG1 3.45Å; L55-V182 VanDerWaalsContact CD2-CG1 3.45Å; L55-V182 HydrophobicContact CG-CG1 3.79Å; V59-V182 HydrophobicContact CG2-CG1 3.72Å; I62-V182 HydrophobicContact CD1-CG2 3.89Å; K178-V182 WeakPolarHBondContact O-CG2 3.16Å; K178-V182 PolarHBondContact O-N 3.47Å; A179-V182 PolarHBondContact O-N 2.86Å; V182-Q184 VanDerWaalsContact C-N 3.33Å; V182-Q184 PolarHBondContact O-N 3Å; V182-Q185 WeakPolarHBondContact O-CB 3.22Å; V182-Q185 PolarHBondContact O-N 3.33Å; V182-M186 PolarHBondContact O-N 3.27Å
183N71.7Confident72Confident59 Ų5976.1 Ų76.132%0.31639%0.394SS..Hα-helixtrans-63.6-38.9175.8-172.360.6000112.1A179 S180 I181 M186 S187A179-N183 WeakPolarHBondContact O-CB 3.49Å; A179-N183 PolarHBondContact O-N 2.89Å; S180-N183 PolarHBondContact O-N 3.25Å; I181-N183 VanDerWaalsContact C-N 3.33Å; I181-N183 PolarHBondContact O-N 3.4Å; N183-M186 WeakPolarHBondContact O-CB 3.33Å; N183-M186 PolarHBondContact O-N 3.47Å; N183-S187 PolarHBondContact O-N 2.95Å
184Q72.2Confident70.9Confident48 Ų4875.7 Ų75.722%0.22440%0.397CS..Hα-helixtrans-62.4-46.7173.8-174.162.851.700111.1S180 I181 V182 M186 S187 D188S180-Q184 PolarHBondContact O-N 3.08Å; I181-Q184 WeakPolarHBondContact O-CB 3.45Å; I181-Q184 PolarHBondContact O-N 2.86Å; V182-Q184 VanDerWaalsContact C-N 3.33Å; V182-Q184 PolarHBondContact O-N 3Å; Q184-M186 VanDerWaalsContact C-N 3.3Å; Q184-M186 PolarHBondContact O-N 3.3Å; Q184-S187 PolarHBondContact O-N 3.29Å; Q184-S187 VanDerWaalsContact O-N 3.09Å; Q184-D188 PolarHBondContact NE2-OD1 3.38Å; Q184-D188 VanDerWaalsContact O-CG 3.24Å; Q184-D188 PolarHBondContact O-N 3.09Å
185Q72.2Confident69.6Low96 Ų9677.9 Ų77.945%0.44941%0.412SS..Hα-helixtrans-58.9-41.9176.8-70.5172.6-25.500111.7I181 V182 L189I181-Q185 WeakPolarHBondContact O-CG 3.44Å; I181-Q185 PolarHBondContact O-N 2.92Å; V182-Q185 WeakPolarHBondContact O-CB 3.22Å; V182-Q185 PolarHBondContact O-N 3.33Å; Q185-L189 WeakPolarHBondContact O-CB 3.4Å; Q185-L189 WeakPolarHBondContact O-CD1 3.4Å; Q185-L189 WeakPolarHBondContact O-CG 3.43Å; Q185-L189 PolarHBondContact O-N 3.38Å
186M68.7Low68.5Low86 Ų8681 Ų8142%0.42443%0.427SS..Hα-helixtrans-58.1-48.6171.9-101.9172.3168.800111.7L55 V182 N183 Q184 D188 L189 L190L55-M186 HydrophobicContact CD1-CG 3.85Å; L55-M186 HydrophobicContact CD2-CE 3.15Å; L55-M186 HydrophobicContact CD2-CG 3.43Å; L55-M186 VanDerWaalsContact CD2-CG 3.43Å; L55-M186 HydrophobicContact CD2-SD 3.52Å; L55-M186 VanDerWaalsContact CD2-SD 3.52Å; L55-M186 HydrophobicContact CG-CG 4.3Å; V182-M186 PolarHBondContact O-N 3.27Å; N183-M186 WeakPolarHBondContact O-CB 3.33Å; N183-M186 PolarHBondContact O-N 3.47Å; Q184-M186 VanDerWaalsContact C-N 3.3Å; Q184-M186 PolarHBondContact O-N 3.3Å; M186-D188 PolarHBondContact O-N 2.93Å; M186-L189 WeakPolarHBondContact O-CB 3.3Å; M186-L189 PolarHBondContact O-N 2.8Å; M186-L190 WeakPolarHBondContact O-CB 3.39Å; M186-L190 VanDerWaalsContact O-CG 3.3Å; M186-L190 WeakPolarHBondContact O-CG 3.49Å; M186-L190 PolarHBondContact O-N 3.4Å
187S67.9Low67.6Low10 Ų1081 Ų817%0.0743%0.432CS..Hα-helixtrans-66.9-38.1-177.7-166.20000112.8N183 Q184 L189 L190 N191 T192 G193N183-S187 PolarHBondContact O-N 2.95Å; Q184-S187 PolarHBondContact O-N 3.29Å; Q184-S187 VanDerWaalsContact O-N 3.09Å; S187-L189 VanDerWaalsContact C-N 3.35Å; S187-L190 CarbonylContact O-C 3.55Å; S187-L190 PolarHBondContact O-N 2.94Å; S187-N191 PolarHBondContact O-N 2.97Å; S187-T192 WeakPolarHBondContact CA-OG1 3.37Å; S187-T192 PolarHBondContact O-N 2.76Å; S187-T192 PolarHBondContact O-OG1 2.99Å; S187-T192 PolarHBondContact OG-OG1 3.49Å; S187-G193 VanDerWaalsContact OG-C 3.3Å; S187-G193 PolarHBondContact OG-N 3.41Å; S187-G193 VanDerWaalsContact OG-N 3.13Å; S187-G193 PolarHBondContact OG-O 2.86Å
188D72.1Confident66.9Low96 Ų9680.6 Ų80.651%0.51344%0.44SS..Hα-helixtrans-63.8-42.2175.1-66.1-16.2000110.6Q184 M186 L190 N191Q184-D188 PolarHBondContact NE2-OD1 3.38Å; Q184-D188 VanDerWaalsContact O-CG 3.24Å; Q184-D188 PolarHBondContact O-N 3.09Å; M186-D188 PolarHBondContact O-N 2.93Å; D188-L190 VanDerWaalsContact C-N 3.34Å; D188-L190 PolarHBondContact O-N 3.13Å; D188-N191 PolarHBondContact O-N 3.35Å
189L69.2Low66.1Low99 Ų9981 Ų8152%0.51845%0.446SS..Hα-helixtrans-63.1-37.3174.9-84.6161.1000112.9T51 L55 Q185 M186 S187T51-L189 HydrophobicContact CG2-CD1 3.55Å; T51-L189 HydrophobicContact CG2-CD2 3.92Å; T51-L189 HydrophobicContact CG2-CG 4.4Å; L55-L189 HydrophobicContact CD1-CD1 4.17Å; Q185-L189 WeakPolarHBondContact O-CB 3.4Å; Q185-L189 WeakPolarHBondContact O-CD1 3.4Å; Q185-L189 WeakPolarHBondContact O-CG 3.43Å; Q185-L189 PolarHBondContact O-N 3.38Å; M186-L189 WeakPolarHBondContact O-CB 3.3Å; M186-L189 PolarHBondContact O-N 2.8Å; S187-L189 VanDerWaalsContact C-N 3.35Å
190L66.7Low65.5Low94 Ų9481.5 Ų81.549%0.49244%0.443SS..Hα-helixtrans-91.70.9-177.4-63173.1000113.4M186 S187 D188 T192 L200M186-L190 WeakPolarHBondContact O-CB 3.39Å; M186-L190 VanDerWaalsContact O-CG 3.3Å; M186-L190 WeakPolarHBondContact O-CG 3.49Å; M186-L190 PolarHBondContact O-N 3.4Å; S187-L190 CarbonylContact O-C 3.55Å; S187-L190 PolarHBondContact O-N 2.94Å; D188-L190 VanDerWaalsContact C-N 3.34Å; D188-L190 PolarHBondContact O-N 3.13Å; L190-T192 HydrophobicContact CB-CG2 4.02Å; L190-T192 WeakPolarHBondContact O-CG2 3.37Å; L190-T192 PolarHBondContact O-N 2.54Å; L190-L200 HydrophobicContact CB-CD1 4.42Å; L190-L200 HydrophobicContact CD1-CD1 4.05Å; L190-L200 HydrophobicContact CD1-CD2 4.04Å
191N67.9Low65.1Low145 Ų14582.7 Ų82.778%0.77544%0.444SS*.THydrogen-bonded Turntrans52.339.5-174.5-66.8-58.3000113.4S187 D188S187-N191 PolarHBondContact O-N 2.97Å; D188-N191 PolarHBondContact O-N 3.35Å
192T58.3Low64.8Low33 Ų3384 Ų8420%0.20245%0.446CS..  trans-102.6-5-173.2470000115.3S187 L190 L200S187-T192 WeakPolarHBondContact CA-OG1 3.37Å; S187-T192 PolarHBondContact O-N 2.76Å; S187-T192 PolarHBondContact O-OG1 2.99Å; S187-T192 PolarHBondContact OG-OG1 3.49Å; L190-T192 HydrophobicContact CB-CG2 4.02Å; L190-T192 WeakPolarHBondContact O-CG2 3.37Å; L190-T192 PolarHBondContact O-N 2.54Å; T192-L200 HydrophobicContact CG2-CD1 3.28Å; T192-L200 HydrophobicContact CG2-CG 4.47Å
193G55.1Low64.7Low41 Ų4188.3 Ų88.342%0.42346%0.464SS..  trans68.1169.4-179.800000113.6S187 N195S187-G193 VanDerWaalsContact OG-C 3.3Å; S187-G193 PolarHBondContact OG-N 3.41Å; S187-G193 VanDerWaalsContact OG-N 3.13Å; S187-G193 PolarHBondContact OG-O 2.86Å; G193-N195 PolarHBondContact O-N 3.44Å
194Q53.9Low64.7Low142 Ų14290.7 Ų90.766%0.66447%0.474SS*.THydrogen-bonded Turntrans-66.6131.9-175.3-96.2171.5-19.500113.1
195N52.1Low64.9Low138 Ų13893.4 Ų93.474%0.73849%0.491SS*.THydrogen-bonded Turntrans73.122.5159-70.7-17.5000120.4G193G193-N195 PolarHBondContact O-N 3.44Å
196E56.9Low65.2Low101 Ų10193.9 Ų93.947%0.47249%0.493SS..  trans-117.667.3177.2-56.2-176.5139.700112.9S198 L199 L200E196-S198 PolarHBondContact O-N 2.89Å; E196-L199 HydrophobicContact CB-CB 3.72Å; E196-L199 HydrophobicContact CB-CD1 3.9Å; E196-L199 HydrophobicContact CB-CG 4.29Å; E196-L199 HydrophobicContact CG-CD1 3.91Å; E196-L199 PolarHBondContact O-N 3.04Å; E196-L199 WeakPolarHBondContact OE1-CD1 3.16Å; E196-L199 WeakPolarHBondContact OE2-CD1 3.36Å; E196-L200 PolarHBondContact O-N 3.2Å
197L58.7Low65.5Low130 Ų13093.9 Ų93.968%0.68150%0.495SS*.Hα-helixtrans-54.4-35170.8-142.9114000111D201L197-D201 VanDerWaalsContact O-CB 3.31Å; L197-D201 WeakPolarHBondContact O-CB 3.22Å; L197-D201 PolarHBondContact O-N 3.09Å
198S64.8Low65.8Low89 Ų8999.3 Ų99.362%0.62252%0.52SS*.Hα-helixtrans-70.5-32.317654.60000114.2E196 K202E196-S198 PolarHBondContact O-N 2.89Å; S198-K202 WeakPolarHBondContact O-CB 3.42Å; S198-K202 PolarHBondContact O-N 2.83Å; S198-K202 VanDerWaalsContact O-N 3.09Å
199L59.9Low66.1Low86 Ų8698.3 Ų98.345%0.4552%0.515SS..Hα-helixtrans-82-30.4175.2-80.5144.7000111.8E196 K203E196-L199 HydrophobicContact CB-CB 3.72Å; E196-L199 HydrophobicContact CB-CD1 3.9Å; E196-L199 HydrophobicContact CB-CG 4.29Å; E196-L199 HydrophobicContact CG-CD1 3.91Å; E196-L199 PolarHBondContact O-N 3.04Å; E196-L199 WeakPolarHBondContact OE1-CD1 3.16Å; E196-L199 WeakPolarHBondContact OE2-CD1 3.36Å; L199-K203 WeakPolarHBondContact O-CB 3.46Å; L199-K203 PolarHBondContact O-N 3.27Å
200L62Low66.5Low43 Ų4396.5 Ų96.523%0.22551%0.511CS..Hα-helixtrans-62.7-47.2167.8-17572.5000110.9L190 T192 E196 K203 M204L190-L200 HydrophobicContact CB-CD1 4.42Å; L190-L200 HydrophobicContact CD1-CD1 4.05Å; L190-L200 HydrophobicContact CD1-CD2 4.04Å; T192-L200 HydrophobicContact CG2-CD1 3.28Å; T192-L200 HydrophobicContact CG2-CG 4.47Å; E196-L200 PolarHBondContact O-N 3.2Å; L200-K203 PolarHBondContact O-N 2.91Å; L200-M204 HydrophobicContact CG-SD 4.43Å; L200-M204 WeakPolarHBondContact O-CB 3.21Å; L200-M204 WeakPolarHBondContact O-CG 3.28Å; L200-M204 PolarHBondContact O-N 2.93Å
201D66Low66.8Low99 Ų9996.3 Ų96.353%0.52951%0.509SS..Hα-helixtrans-59.6-48.2178-162.740.2000111.1L197 K203 M204 D205L197-D201 VanDerWaalsContact O-CB 3.31Å; L197-D201 WeakPolarHBondContact O-CB 3.22Å; L197-D201 PolarHBondContact O-N 3.09Å; D201-K203 PolarHBondContact O-N 3.34Å; D201-M204 WeakPolarHBondContact O-CB 3.36Å; D201-M204 PolarHBondContact O-N 2.89Å; D201-D205 PolarHBondContact O-N 3.42Å
202K71.6Confident67Low120 Ų12096.1 Ų96.152%0.52250%0.498SS..Hα-helixtrans-61.9-41176.6-169.2-179.8178.4-169.60112.9S198 D205 E206S198-K202 WeakPolarHBondContact O-CB 3.42Å; S198-K202 PolarHBondContact O-N 2.83Å; S198-K202 VanDerWaalsContact O-N 3.09Å; K202-D205 PolarHBondContact O-N 3.46Å; K202-E206 VanDerWaalsContact CE-OE1 3.29Å; K202-E206 WeakPolarHBondContact CE-OE1 3.48Å; K202-E206 WeakPolarHBondContact O-CG 3.27Å; K202-E206 PolarHBondContact O-N 2.88Å
203K70.4Confident68Low99 Ų99100.2 Ų100.243%0.4351%0.514SS..Hα-helixtrans-66.9-39.2176.6-175.3176.9178.5-175.60111.4L199 L200 D201 E206 D207L199-K203 WeakPolarHBondContact O-CB 3.46Å; L199-K203 PolarHBondContact O-N 3.27Å; L200-K203 PolarHBondContact O-N 2.91Å; D201-K203 PolarHBondContact O-N 3.34Å; K203-E206 PolarHBondContact O-N 2.92Å; K203-D207 WeakPolarHBondContact O-CB 3.35Å; K203-D207 PolarHBondContact O-N 2.93Å
204M73Confident68.7Low109 Ų109104.2 Ų104.254%0.53752%0.524SS..Hα-helixtrans-61.5-44.1174.2-77.9-177.159.700111.4L200 D201 D207 M208L200-M204 HydrophobicContact CG-SD 4.43Å; L200-M204 WeakPolarHBondContact O-CB 3.21Å; L200-M204 WeakPolarHBondContact O-CG 3.28Å; L200-M204 PolarHBondContact O-N 2.93Å; D201-M204 WeakPolarHBondContact O-CB 3.36Å; D201-M204 PolarHBondContact O-N 2.89Å; M204-D207 PolarHBondContact O-N 3.4Å; M204-M208 VanDerWaalsContact O-CB 3.27Å; M204-M208 WeakPolarHBondContact O-CB 3.31Å; M204-M208 WeakPolarHBondContact O-CG 3.36Å; M204-M208 PolarHBondContact O-N 3.4Å
205D76.3Confident69.2Low106 Ų106103.8 Ų103.857%0.56753%0.526SS*.Hα-helixtrans-60.9-44.6174.7-81.2-17.8000112.1D201 K202 M208 D209D201-D205 PolarHBondContact O-N 3.42Å; K202-D205 PolarHBondContact O-N 3.46Å; D205-M208 PolarHBondContact O-N 2.87Å; D205-D209 WeakPolarHBondContact O-CB 3.38Å; D205-D209 PolarHBondContact O-N 3.44Å
206E77.3Confident70Confident106 Ų106102.6 Ų102.650%0.49552%0.516SS..Hα-helixtrans-64.4-42.6178.5-74.7174.2-172.300112.5K202 K203 S210K202-E206 VanDerWaalsContact CE-OE1 3.29Å; K202-E206 WeakPolarHBondContact CE-OE1 3.48Å; K202-E206 WeakPolarHBondContact O-CG 3.27Å; K202-E206 PolarHBondContact O-N 2.88Å; K203-E206 PolarHBondContact O-N 2.92Å; E206-S210 WeakPolarHBondContact O-CB 3.38Å; E206-S210 PolarHBondContact O-N 3.33Å; E206-S210 PolarHBondContact O-OG 2.99Å
207D75.6Confident70.1Confident86 Ų86104 Ų10446%0.4653%0.526SS..Hα-helixtrans-68-41177.2-76-19.6000110.8K203 M204 S210 I211K203-D207 WeakPolarHBondContact O-CB 3.35Å; K203-D207 PolarHBondContact O-N 2.93Å; M204-D207 PolarHBondContact O-N 3.4Å; D207-S210 PolarHBondContact O-N 3.2Å; D207-I211 VanDerWaalsContact O-CG1 3.28Å; D207-I211 WeakPolarHBondContact O-CG1 3.29Å; D207-I211 PolarHBondContact O-N 3.4Å
208M74.8Confident69.6Low123 Ų123106.8 Ų106.861%0.60653%0.533SS*.Hα-helixtrans-65.3-41.8176.4-74.6-66.8-73.600112.3M204 D205 S210 I211 Y212M204-M208 VanDerWaalsContact O-CB 3.27Å; M204-M208 WeakPolarHBondContact O-CB 3.31Å; M204-M208 WeakPolarHBondContact O-CG 3.36Å; M204-M208 PolarHBondContact O-N 3.4Å; D205-M208 PolarHBondContact O-N 2.87Å; M208-S210 VanDerWaalsContact C-N 3.33Å; M208-I211 PolarHBondContact O-N 2.92Å; M208-Y212 WeakPolarHBondContact O-CB 3.48Å; M208-Y212 PolarHBondContact O-N 3.18Å
209D78.4Confident69.1Low76 Ų76108 Ų10841%0.40654%0.539SS..Hα-helixtrans-67-35.9175.9-167.148.6000111.6D205 Y212 K213D205-D209 WeakPolarHBondContact O-CB 3.38Å; D205-D209 PolarHBondContact O-N 3.44Å; D209-Y212 PolarHBondContact O-N 3.45Å; D209-K213 WeakPolarHBondContact O-CB 2.99Å; D209-K213 WeakPolarHBondContact O-CG 3.15Å; D209-K213 PolarHBondContact O-N 3.21Å; D209-K213 WeakPolarHBondContact OD2-CE 3.34Å; D209-K213 IonicContact OD2-NZ 2.66Å; D209-K213 PolarHBondContact OD2-NZ 2.96Å
210S77.9Confident69.1Low61 Ų61113.4 Ų113.443%0.42756%0.561SS.*Hα-helixtrans-65.5-43.5174.1-63.20000112.1E206 D207 M208 K213 L214E206-S210 WeakPolarHBondContact O-CB 3.38Å; E206-S210 PolarHBondContact O-N 3.33Å; E206-S210 PolarHBondContact O-OG 2.99Å; D207-S210 PolarHBondContact O-N 3.2Å; M208-S210 VanDerWaalsContact C-N 3.33Å; S210-K213 PolarHBondContact O-N 3.39Å; S210-L214 WeakPolarHBondContact O-CG 3.33Å; S210-L214 PolarHBondContact O-N 3.29Å
211I73Confident68.1Low90 Ų90124.6 Ų124.646%0.46261%0.608SS.*Hα-helixtrans-64.1-43.4174.2-69.6166.3000110.5D207 M208 K213 L214 L215D207-I211 VanDerWaalsContact O-CG1 3.28Å; D207-I211 WeakPolarHBondContact O-CG1 3.29Å; D207-I211 PolarHBondContact O-N 3.4Å; M208-I211 PolarHBondContact O-N 2.92Å; I211-K213 VanDerWaalsContact C-N 3.35Å; I211-K213 PolarHBondContact O-N 2.91Å; I211-L214 PolarHBondContact O-N 3.41Å; I211-L215 HydrophobicContact CG2-CD1 3.83Å; I211-L215 HydrophobicContact CG2-CG 4.36Å; I211-L215 WeakPolarHBondContact O-CG 3.43Å; I211-L215 PolarHBondContact O-N 3.21Å
212Y71Confident68.2Low140 Ų140125.9 Ų125.955%0.54961%0.612SS.*Hα-helixtrans-58.9-46.5176.9-174.3-92.5000111.2M208 D209 L214 L215 H216M208-Y212 WeakPolarHBondContact O-CB 3.48Å; M208-Y212 PolarHBondContact O-N 3.18Å; D209-Y212 PolarHBondContact O-N 3.45Å; Y212-L214 PolarHBondContact O-N 2.75Å; Y212-L215 PolarHBondContact O-N 3.04Å; Y212-H216 AromaticContact CD1-ND1 3.9Å; Y212-H216 AromaticContact CD2-CE1 3.56Å; Y212-H216 AromaticContact CD2-ND1 3.84Å; Y212-H216 AromaticContact CE1-ND1 3.82Å; Y212-H216 AromaticContact CE2-CE1 3.22Å; Y212-H216 WeakPolarHBondContact CE2-CE1 3.35Å; Y212-H216 AromaticContact CE2-ND1 3.78Å; Y212-H216 AromaticContact CE2-NE2 3.86Å; Y212-H216 AromaticContact CG-ND1 3.9Å; Y212-H216 AromaticContact CZ-CE1 3.46Å; Y212-H216 VanDerWaalsContact CZ-CE1 3.46Å; Y212-H216 AromaticContact CZ-ND1 3.77Å; Y212-H216 AromaticContact CZ-NE2 3.81Å; Y212-H216 PolarHBondContact O-N 2.99Å; Y212-H216 PolarHBondContact O-ND1 2.66Å
213K78.5Confident68Low120 Ų120126.2 Ų126.252%0.52262%0.617SS.*Hα-helixtrans-59.7-43.9175.2-76.9165.1177.4155.30112.2D209 S210 I211 L215 H216 L217D209-K213 WeakPolarHBondContact O-CB 2.99Å; D209-K213 WeakPolarHBondContact O-CG 3.15Å; D209-K213 PolarHBondContact O-N 3.21Å; D209-K213 WeakPolarHBondContact OD2-CE 3.34Å; D209-K213 IonicContact OD2-NZ 2.66Å; D209-K213 PolarHBondContact OD2-NZ 2.96Å; S210-K213 PolarHBondContact O-N 3.39Å; I211-K213 VanDerWaalsContact C-N 3.35Å; I211-K213 PolarHBondContact O-N 2.91Å; K213-L215 VanDerWaalsContact C-N 3.35Å; K213-L215 PolarHBondContact O-N 2.8Å; K213-H216 PolarHBondContact O-N 3.45Å; K213-L217 WeakPolarHBondContact O-CG 3.45Å; K213-L217 PolarHBondContact O-N 3.06Å
214L70.1Confident67.9Low124 Ų124127.7 Ų127.765%0.64963%0.627SS**Hα-helixtrans-61.3-40.5177.5-79.7163.6000112.8S210 I211 Y212 H216 L217S210-L214 WeakPolarHBondContact O-CG 3.33Å; S210-L214 PolarHBondContact O-N 3.29Å; I211-L214 PolarHBondContact O-N 3.41Å; Y212-L214 PolarHBondContact O-N 2.75Å; L214-H216 VanDerWaalsContact C-N 3.27Å; L214-H216 PolarHBondContact O-N 3Å; L214-L217 HydrophobicContact CD2-CD1 4.28Å
215L65Low67.6Low134 Ų134128.8 Ų128.870%0.70263%0.633SS**Hα-helixtrans-71.4-20.5178.5-69.7170.1000113.6I211 Y212 K213I211-L215 HydrophobicContact CG2-CD1 3.83Å; I211-L215 HydrophobicContact CG2-CG 4.36Å; I211-L215 WeakPolarHBondContact O-CG 3.43Å; I211-L215 PolarHBondContact O-N 3.21Å; Y212-L215 PolarHBondContact O-N 3.04Å; K213-L215 VanDerWaalsContact C-N 3.35Å; K213-L215 PolarHBondContact O-N 2.8Å
216H69.3Low67Low113 Ų113130.3 Ų130.352%0.52364%0.637SS.*Hα-helixtrans-109.24.3-177.3-64.882.3000113.9Y212 K213 L214 K218Y212-H216 AromaticContact CD1-ND1 3.9Å; Y212-H216 AromaticContact CD2-CE1 3.56Å; Y212-H216 AromaticContact CD2-ND1 3.84Å; Y212-H216 AromaticContact CE1-ND1 3.82Å; Y212-H216 AromaticContact CE2-CE1 3.22Å; Y212-H216 WeakPolarHBondContact CE2-CE1 3.35Å; Y212-H216 AromaticContact CE2-ND1 3.78Å; Y212-H216 AromaticContact CE2-NE2 3.86Å; Y212-H216 AromaticContact CG-ND1 3.9Å; Y212-H216 AromaticContact CZ-CE1 3.46Å; Y212-H216 VanDerWaalsContact CZ-CE1 3.46Å; Y212-H216 AromaticContact CZ-ND1 3.77Å; Y212-H216 AromaticContact CZ-NE2 3.81Å; Y212-H216 PolarHBondContact O-N 2.99Å; Y212-H216 PolarHBondContact O-ND1 2.66Å; K213-H216 PolarHBondContact O-N 3.45Å; L214-H216 VanDerWaalsContact C-N 3.27Å; L214-H216 PolarHBondContact O-N 3Å; H216-K218 PolarHBondContact O-N 3.42Å
217L58Low66.3Low130 Ų130131.9 Ų131.968%0.68165%0.646SS**  trans-66.9103.4165.1-80.8163.5000108.3K213 L214K213-L217 WeakPolarHBondContact O-CG 3.45Å; K213-L217 PolarHBondContact O-N 3.06Å; L214-L217 HydrophobicContact CD2-CD1 4.28Å
218K49.3Very low65.7Low189 Ų189135.1 Ų135.182%0.82266%0.659SS**PPolyproline II helixtrans-60.2136.5168.2-80.3-177.5177.2174.60108.2H216 E220H216-K218 PolarHBondContact O-N 3.42Å; K218-E220 PolarHBondContact O-N 3.19Å
219P54.1Low65Low115 Ų115136.1 Ų136.175%0.74766%0.664SS**PPolyproline II helixtrans-58.7127.717524-30.6000108.2K221P219-K221 PolarHBondContact O-N 3.19Å
220E59.4Low63.8Low198 Ų198141.1 Ų141.193%0.92569%0.685SS**PPolyproline II helixtrans-56.4123.3171.2-72.5-175.3156.600107.8K218K218-E220 PolarHBondContact O-N 3.19Å
221K40.5Very low62.6Low279 Ų279148.4 Ų148.4100%1.21371%0.709SS**  trans-75.50178.3-80.4-173.3174.8-175.60111.1P219P219-K221 PolarHBondContact O-N 3.19Å

Retrieved 221 of 221 residues in 49.3 ms (Link to these results)

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