A0A5K4F3X7_SCHMA Loading...

Tektin

AlphaFold DB , UniProt , Accession A0A5K4F3X7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 181 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
1M35.8Very low58Low224 Ų22485.5 Ų85.5100%1.10341%0.407SS*.  01210-174.8170.8178.300106.6P3M1-P3 WeakPolarHBondContact O-CD 3.49Å
2F46.9Very low58.5Low63 Ų6385.6 Ų85.628%0.27641%0.407SS..  trans-71.1124.3-176.1-159.3-90.7000109E4 L6 K7 I10 F151F2-E4 PolarHBondContact O-N 2.82Å; F2-L6 HydrophobicContact CD1-CB 3.96Å; F2-L6 HydrophobicContact CE1-CB 3.42Å; F2-L6 VanDerWaalsContact CE1-CB 3.42Å; F2-L6 HydrophobicContact CZ-CB 4.06Å; F2-K7 HydrophobicContact CD1-CB 4.5Å; F2-K7 HydrophobicContact CD1-CD 4.35Å; F2-K7 HydrophobicContact CD1-CG 3.37Å; F2-K7 HydrophobicContact CE1-CG 3.81Å; F2-K7 HydrophobicContact CG-CG 4.41Å; F2-I10 HydrophobicContact CE1-CD1 3.89Å; F2-I10 HydrophobicContact CZ-CD1 3.6Å; F2-F151 HydrophobicContact CE2-CE2 4.39Å
3P60Low58.6Low33 Ų3381.6 Ų81.621%0.21439%0.386CS..  trans-57.2130.8-178.5-25.934.6000111.5M1 H5 L6 K7 Y68M1-P3 WeakPolarHBondContact O-CD 3.49Å; P3-H5 WeakPolarHBondContact CB-CE1 3.37Å; P3-H5 WeakPolarHBondContact CB-ND1 3.33Å; P3-H5 PolarHBondContact O-N 3.45Å; P3-L6 HydrophobicContact CB-CB 4.47Å; P3-L6 HydrophobicContact CB-CD1 4.12Å; P3-L6 HydrophobicContact CG-CD1 3.85Å; P3-L6 WeakPolarHBondContact O-CB 3.44Å; P3-L6 PolarHBondContact O-N 3.38Å; P3-K7 PolarHBondContact O-N 3.25Å; P3-Y68 HydrophobicContact CG-CD2 4.38Å; P3-Y68 HydrophobicContact CG-CE2 4.28Å
4E66.3Low58.8Low108 Ų10881.6 Ų81.651%0.50538%0.383SS..Hα-helixtrans-60.4-31-177.1-72-57.9136.100112.8F2 L6 K7 T8F2-E4 PolarHBondContact O-N 2.82Å; E4-L6 VanDerWaalsContact C-N 3.29Å; E4-L6 PolarHBondContact O-N 3.04Å; E4-K7 PolarHBondContact O-N 2.71Å; E4-K7 WeakPolarHBondContact OE1-CE 3.34Å; E4-K7 IonicContact OE1-NZ 2.7Å; E4-K7 PolarHBondContact OE1-NZ 3.3Å; E4-K7 IonicContact OE2-NZ 3.93Å; E4-T8 WeakPolarHBondContact O-CB 3.48Å; E4-T8 PolarHBondContact O-N 3.07Å; E4-T8 PolarHBondContact O-OG1 3.02Å
5H60Low59.3Low92 Ų9281 Ų8143%0.42638%0.384SS..Hα-helixtrans-63.9-34.5175.775.9-94.8000112.2P3 R9 V64P3-H5 WeakPolarHBondContact CB-CE1 3.37Å; P3-H5 WeakPolarHBondContact CB-ND1 3.33Å; P3-H5 PolarHBondContact O-N 3.45Å; H5-R9 WeakPolarHBondContact O-CG 3.43Å; H5-R9 PolarHBondContact O-N 3.32Å; H5-V64 WeakPolarHBondContact NE2-CG1 3.49Å
6L52.5Low59.6Low12 Ų1276.4 Ų76.46%0.06336%0.364CS..Hα-helixtrans-69.3-44175.2-87.8164.3000111.4F2 P3 E4 T8 R9 I10 V64 Y68F2-L6 HydrophobicContact CD1-CB 3.96Å; F2-L6 HydrophobicContact CE1-CB 3.42Å; F2-L6 VanDerWaalsContact CE1-CB 3.42Å; F2-L6 HydrophobicContact CZ-CB 4.06Å; P3-L6 HydrophobicContact CB-CB 4.47Å; P3-L6 HydrophobicContact CB-CD1 4.12Å; P3-L6 HydrophobicContact CG-CD1 3.85Å; P3-L6 WeakPolarHBondContact O-CB 3.44Å; P3-L6 PolarHBondContact O-N 3.38Å; E4-L6 VanDerWaalsContact C-N 3.29Å; E4-L6 PolarHBondContact O-N 3.04Å; L6-T8 VanDerWaalsContact C-N 3.26Å; L6-T8 PolarHBondContact O-N 3.31Å; L6-R9 PolarHBondContact O-N 2.86Å; L6-I10 WeakPolarHBondContact O-CB 3.37Å; L6-I10 VanDerWaalsContact O-CG1 3.31Å; L6-I10 WeakPolarHBondContact O-CG1 3.29Å; L6-I10 PolarHBondContact O-N 3.4Å; L6-V64 HydrophobicContact CD2-CB 3.77Å; L6-V64 HydrophobicContact CD2-CG1 3.2Å; L6-V64 HydrophobicContact CG-CG1 3.6Å; L6-Y68 HydrophobicContact CD1-CD2 3.33Å; L6-Y68 HydrophobicContact CD1-CE2 3.86Å; L6-Y68 HydrophobicContact CD1-CG 3.76Å
7K61.3Low59.5Low97 Ų9774.2 Ų74.242%0.42235%0.351SS..Hα-helixtrans-58.4-44.3176.4-58.7-171.6-173.5159.60111F2 P3 E4 K11F2-K7 HydrophobicContact CD1-CB 4.5Å; F2-K7 HydrophobicContact CD1-CD 4.35Å; F2-K7 HydrophobicContact CD1-CG 3.37Å; F2-K7 HydrophobicContact CE1-CG 3.81Å; F2-K7 HydrophobicContact CG-CG 4.41Å; P3-K7 PolarHBondContact O-N 3.25Å; E4-K7 PolarHBondContact O-N 2.71Å; E4-K7 WeakPolarHBondContact OE1-CE 3.34Å; E4-K7 IonicContact OE1-NZ 2.7Å; E4-K7 PolarHBondContact OE1-NZ 3.3Å; E4-K7 IonicContact OE2-NZ 3.93Å; K7-K11 WeakPolarHBondContact O-CB 3.33Å; K7-K11 PolarHBondContact O-N 2.7Å
8T65.2Low59.5Low67 Ų6777.2 Ų77.241%0.41136%0.36SS..Hα-helixtrans-62.8-44.8-179.6-54.80000111.1E4 L6 K11 H12E4-T8 WeakPolarHBondContact O-CB 3.48Å; E4-T8 PolarHBondContact O-N 3.07Å; E4-T8 PolarHBondContact O-OG1 3.02Å; L6-T8 VanDerWaalsContact C-N 3.26Å; L6-T8 PolarHBondContact O-N 3.31Å; T8-K11 WeakPolarHBondContact O-CB 3.5Å; T8-K11 PolarHBondContact O-N 3.35Å; T8-H12 PolarHBondContact O-CD2 3Å; T8-H12 PolarHBondContact O-N 3.2Å
9R58.5Low59.8Low71 Ų7177.1 Ų77.127%0.26836%0.362SS..Hα-helixtrans-72.2-39179.9-71.6171.579166.7-2.1113H5 L6 K11 H12 Y13 I60 L61 V64H5-R9 WeakPolarHBondContact O-CG 3.43Å; H5-R9 PolarHBondContact O-N 3.32Å; L6-R9 PolarHBondContact O-N 2.86Å; R9-K11 VanDerWaalsContact C-N 3.25Å; R9-K11 PolarHBondContact O-N 3.3Å; R9-H12 PolarHBondContact O-N 2.84Å; R9-H12 VanDerWaalsContact O-N 3.16Å; R9-Y13 PolarHBondContact O-N 3.05Å; R9-I60 VanDerWaalsContact CZ-CG2 3.46Å; R9-I60 PolarHBondContact NH2-O 3.03Å; R9-L61 HydrophobicContact CB-CD2 4.22Å; R9-V64 HydrophobicContact CB-CG2 4.42Å; R9-V64 VanDerWaalsContact CD-CG2 3.48Å; R9-V64 VanDerWaalsContact NH1-CG2 3.34Å; R9-V64 VanDerWaalsContact NH2-CG2 3.29Å
10I59.8Low59.8Low45 Ų4573.6 Ų73.623%0.23135%0.346CS..Hα-helixtrans-58.5-41.4170.8-71168.9000110.6F2 L6 Y13 K14 L61F2-I10 HydrophobicContact CE1-CD1 3.89Å; F2-I10 HydrophobicContact CZ-CD1 3.6Å; L6-I10 WeakPolarHBondContact O-CB 3.37Å; L6-I10 VanDerWaalsContact O-CG1 3.31Å; L6-I10 WeakPolarHBondContact O-CG1 3.29Å; L6-I10 PolarHBondContact O-N 3.4Å; I10-Y13 PolarHBondContact O-N 2.75Å; I10-K14 HydrophobicContact CG2-CD 4.31Å; I10-K14 WeakPolarHBondContact O-CG 3.47Å; I10-K14 PolarHBondContact O-N 3.46Å; I10-L61 HydrophobicContact CG1-CD2 4.12Å
11K71.4Confident59.7Low128 Ų12872 Ų7256%0.55734%0.343SS*.Hα-helixtrans-61.1-48.4174.5-176.3-172.4173-168.70111.2K7 T8 R9 Y13 K14 D15K7-K11 WeakPolarHBondContact O-CB 3.33Å; K7-K11 PolarHBondContact O-N 2.7Å; T8-K11 WeakPolarHBondContact O-CB 3.5Å; T8-K11 PolarHBondContact O-N 3.35Å; R9-K11 VanDerWaalsContact C-N 3.25Å; R9-K11 PolarHBondContact O-N 3.3Å; K11-Y13 VanDerWaalsContact C-N 3.31Å; K11-Y13 PolarHBondContact O-N 3.36Å; K11-K14 PolarHBondContact O-N 3.02Å; K11-K14 VanDerWaalsContact O-N 3.16Å; K11-D15 WeakPolarHBondContact O-CB 3.4Å; K11-D15 VanDerWaalsContact O-CG 3.25Å; K11-D15 PolarHBondContact O-N 3.45Å
12H64.8Low60.8Low87 Ų8764 Ų6440%0.40330%0.304SS..Hα-helixtrans-58.3-42.2177.7-68.7-176.9000112.5T8 R9 D15 A16T8-H12 PolarHBondContact O-CD2 3Å; T8-H12 PolarHBondContact O-N 3.2Å; R9-H12 PolarHBondContact O-N 2.84Å; R9-H12 VanDerWaalsContact O-N 3.16Å; H12-D15 PolarHBondContact O-N 2.79Å; H12-A16 WeakPolarHBondContact O-CB 3.49Å; H12-A16 PolarHBondContact O-N 3.15Å
13Y58.8Low61.3Low34 Ų3463.9 Ų63.913%0.13330%0.304CS..Hα-helixtrans-63.4-44174.8176.4-103.7000112.9R9 I10 K11 D15 A16 Y17 E57 R58 L61R9-Y13 PolarHBondContact O-N 3.05Å; I10-Y13 PolarHBondContact O-N 2.75Å; K11-Y13 VanDerWaalsContact C-N 3.31Å; K11-Y13 PolarHBondContact O-N 3.36Å; Y13-D15 VanDerWaalsContact C-N 3.31Å; Y13-D15 PolarHBondContact O-N 3.01Å; Y13-A16 PolarHBondContact O-N 3.35Å; Y13-Y17 WeakPolarHBondContact O-CB 3.32Å; Y13-Y17 PolarHBondContact O-N 3.06Å; Y13-E57 HydrophobicContact CD2-CB 4.3Å; Y13-R58 HydrophobicContact CD2-CB 4.46Å; Y13-R58 HydrophobicContact CE2-CB 3.95Å; Y13-R58 HydrophobicContact CE2-CG 4.43Å; Y13-R58 PolarHBondContact OH-NH1 3.09Å; Y13-L61 HydrophobicContact CD1-CD1 3.57Å; Y13-L61 HydrophobicContact CD2-CD1 3.57Å; Y13-L61 HydrophobicContact CD2-CG 4.45Å; Y13-L61 HydrophobicContact CE1-CD1 4.24Å; Y13-L61 HydrophobicContact CE2-CD1 4.24Å; Y13-L61 HydrophobicContact CG-CD1 3.17Å; Y13-L61 HydrophobicContact CG-CG 4.21Å
14K62Low61.3Low81 Ų8168 Ų6835%0.35232%0.319SS..Hα-helixtrans-59.5-44.3175.3-75.6-177.1177.3-166.80111I10 K11 Y17 Y18I10-K14 HydrophobicContact CG2-CD 4.31Å; I10-K14 WeakPolarHBondContact O-CG 3.47Å; I10-K14 PolarHBondContact O-N 3.46Å; K11-K14 PolarHBondContact O-N 3.02Å; K11-K14 VanDerWaalsContact O-N 3.16Å; K14-Y17 PolarHBondContact O-N 2.63Å; K14-Y18 WeakPolarHBondContact O-CB 3.47Å; K14-Y18 PolarHBondContact O-N 3.25Å
15D66.7Low60.8Low73 Ų7366.1 Ų66.139%0.3931%0.308SS..Hα-helixtrans-64.2-44.4178.2-67.2-17.3000110.9K11 H12 Y13 Y18 N19K11-D15 WeakPolarHBondContact O-CB 3.4Å; K11-D15 VanDerWaalsContact O-CG 3.25Å; K11-D15 PolarHBondContact O-N 3.45Å; H12-D15 PolarHBondContact O-N 2.79Å; Y13-D15 VanDerWaalsContact C-N 3.31Å; Y13-D15 PolarHBondContact O-N 3.01Å; D15-Y18 PolarHBondContact O-N 2.76Å; D15-N19 WeakPolarHBondContact O-CB 3.47Å; D15-N19 PolarHBondContact O-N 3.38Å; D15-N19 PolarHBondContact O-ND2 3.33Å
16A64.4Low60.9Low8 Ų866.2 Ų66.27%0.06631%0.309CS..Hα-helixtrans-65.2-41.3176.500000112.7H12 Y13 N19 S20 E57H12-A16 WeakPolarHBondContact O-CB 3.49Å; H12-A16 PolarHBondContact O-N 3.15Å; Y13-A16 PolarHBondContact O-N 3.35Å; A16-N19 PolarHBondContact O-N 3.4Å; A16-S20 WeakPolarHBondContact O-CB 3.31Å; A16-S20 PolarHBondContact O-N 3.26Å; A16-S20 PolarHBondContact O-OG 2.77Å; A16-E57 HydrophobicContact CB-CB 4.17Å; A16-E57 HydrophobicContact CB-CG 3.88Å
17Y57.4Low61.1Low39 Ų3969 Ų6915%0.15332%0.319CS..Hα-helixtrans-60.2-48173.8-175.9-80.6000111.1Y13 K14 S20 S21 K54 V143 M146Y13-Y17 WeakPolarHBondContact O-CB 3.32Å; Y13-Y17 PolarHBondContact O-N 3.06Å; K14-Y17 PolarHBondContact O-N 2.63Å; Y17-S20 PolarHBondContact O-N 3.44Å; Y17-S20 PolarHBondContact O-OG 3.24Å; Y17-S21 WeakPolarHBondContact CE1-OG 3.35Å; Y17-S21 WeakPolarHBondContact O-CB 3.29Å; Y17-S21 PolarHBondContact O-N 3.39Å; Y17-S21 PolarHBondContact O-OG 2.89Å; Y17-K54 HydrophobicContact CD2-CD 4.27Å; Y17-K54 VanDerWaalsContact CD2-NZ 3.3Å; Y17-V143 HydrophobicContact CD1-CG2 4.07Å; Y17-V143 HydrophobicContact CE1-CG2 3.92Å; Y17-M146 HydrophobicContact CD2-CE 4.4Å; Y17-M146 HydrophobicContact CE1-CE 4.48Å; Y17-M146 HydrophobicContact CE1-SD 4.24Å; Y17-M146 HydrophobicContact CE2-CE 3.46Å; Y17-M146 VanDerWaalsContact CE2-CE 3.46Å; Y17-M146 HydrophobicContact CE2-SD 4.23Å; Y17-M146 WeakPolarHBondContact OH-CE 3.33Å; Y17-M146 PolarHBondContact OH-SD 3.35Å
18Y59.4Low61Low128 Ų12867.1 Ų67.150%0.50231%0.312SS..Hα-helixtrans-61.1-48.8178.7-175.8-106000111.4K14 D15 S20 S21 I22K14-Y18 WeakPolarHBondContact O-CB 3.47Å; K14-Y18 PolarHBondContact O-N 3.25Å; D15-Y18 PolarHBondContact O-N 2.76Å; Y18-S20 VanDerWaalsContact C-N 3.35Å; Y18-S20 PolarHBondContact O-N 2.73Å; Y18-S21 PolarHBondContact O-N 3.02Å; Y18-I22 HydrophobicContact CD1-CD1 3.63Å; Y18-I22 HydrophobicContact CE1-CD1 3.16Å; Y18-I22 HydrophobicContact CE1-CG1 4.29Å; Y18-I22 HydrophobicContact CE2-CD1 4.19Å; Y18-I22 HydrophobicContact CG-CD1 4.34Å; Y18-I22 VanDerWaalsContact CZ-CD1 3.47Å; Y18-I22 WeakPolarHBondContact O-CG1 3.18Å; Y18-I22 PolarHBondContact O-N 3.16Å
19N66Low60.7Low74 Ų7466 Ų6640%0.39630%0.301SS..Hα-helixtrans-60.4-42.2177.7-71-22.4000112.2D15 A16 S21 I22 Q23D15-N19 WeakPolarHBondContact O-CB 3.47Å; D15-N19 PolarHBondContact O-N 3.38Å; D15-N19 PolarHBondContact O-ND2 3.33Å; A16-N19 PolarHBondContact O-N 3.4Å; N19-S21 PolarHBondContact O-N 3.01Å; N19-I22 PolarHBondContact O-N 3.37Å; N19-Q23 WeakPolarHBondContact O-CG 3.46Å; N19-Q23 PolarHBondContact O-N 3.26Å
20S59.7Low60.5Low7 Ų764 Ų645%0.04930%0.3CS..Hα-helixtrans-66.7-36.2177.673.20000113.2A16 Y17 Y18 Q23 K24 S50 K54A16-S20 WeakPolarHBondContact O-CB 3.31Å; A16-S20 PolarHBondContact O-N 3.26Å; A16-S20 PolarHBondContact O-OG 2.77Å; Y17-S20 PolarHBondContact O-N 3.44Å; Y17-S20 PolarHBondContact O-OG 3.24Å; Y18-S20 VanDerWaalsContact C-N 3.35Å; Y18-S20 PolarHBondContact O-N 2.73Å; S20-Q23 PolarHBondContact O-N 2.93Å; S20-K24 WeakPolarHBondContact O-CB 3.35Å; S20-K24 PolarHBondContact O-N 2.92Å; S20-S50 WeakPolarHBondContact CA-OG 3.46Å; S20-S50 VanDerWaalsContact CB-OG 3.31Å; S20-S50 WeakPolarHBondContact CB-OG 3.42Å; S20-S50 PolarHBondContact N-OG 2.87Å; S20-K54 WeakPolarHBondContact OG-CD 3.18Å
21S56.7Low60.4Low41 Ų4168.4 Ų68.429%0.28732%0.318SS..Hα-helixtrans-68-43.2176.6-58.90000110.8Y17 Y18 N19 K24 Y25Y17-S21 WeakPolarHBondContact CE1-OG 3.35Å; Y17-S21 WeakPolarHBondContact O-CB 3.29Å; Y17-S21 PolarHBondContact O-N 3.39Å; Y17-S21 PolarHBondContact O-OG 2.89Å; Y18-S21 PolarHBondContact O-N 3.02Å; N19-S21 PolarHBondContact O-N 3.01Å; S21-K24 PolarHBondContact O-N 2.95Å; S21-Y25 WeakPolarHBondContact O-CB 3.39Å; S21-Y25 PolarHBondContact O-N 3.06Å
22I59.6Low60.1Low55 Ų5566.8 Ų66.828%0.28231%0.311SS..Hα-helixtrans-60-47.5173.4-70.9174.2000110.6Y18 N19 K24 Y25 E26Y18-I22 HydrophobicContact CD1-CD1 3.63Å; Y18-I22 HydrophobicContact CE1-CD1 3.16Å; Y18-I22 HydrophobicContact CE1-CG1 4.29Å; Y18-I22 HydrophobicContact CE2-CD1 4.19Å; Y18-I22 HydrophobicContact CG-CD1 4.34Å; Y18-I22 VanDerWaalsContact CZ-CD1 3.47Å; Y18-I22 WeakPolarHBondContact O-CG1 3.18Å; Y18-I22 PolarHBondContact O-N 3.16Å; N19-I22 PolarHBondContact O-N 3.37Å; I22-K24 PolarHBondContact O-N 2.95Å; I22-Y25 CarbonylContact O-C 3.58Å; I22-Y25 WeakPolarHBondContact O-CA 3.48Å; I22-Y25 WeakPolarHBondContact O-CB 3.37Å; I22-Y25 PolarHBondContact O-N 3.29Å; I22-Y25 VanDerWaalsContact O-N 3.14Å; I22-E26 HydrophobicContact CG2-CG 4.2Å; I22-E26 WeakPolarHBondContact O-CG 3.37Å; I22-E26 PolarHBondContact O-N 2.8Å
23Q58.1Low59.7Low61 Ų6165.3 Ų65.329%0.28532%0.319SS..Hα-helixtrans-67.9-34.9-178.1-74.1-173.922.500113.1N19 S20 Y25 E26 Y27 R46N19-Q23 WeakPolarHBondContact O-CG 3.46Å; N19-Q23 PolarHBondContact O-N 3.26Å; S20-Q23 PolarHBondContact O-N 2.93Å; Q23-Y25 VanDerWaalsContact C-N 3.3Å; Q23-E26 PolarHBondContact O-N 3.49Å; Q23-Y27 WeakPolarHBondContact O-CB 3.24Å; Q23-Y27 PolarHBondContact O-N 2.99Å; Q23-R46 PolarHBondContact OE1-O 3.33Å
24K58.2Low59.4Low121 Ų12167.1 Ų67.153%0.52633%0.331SS..Hα-helixtrans-60.7-44.2170.6-176-177.4176.3-173.90110.6S20 S21 I22 Y27 E28 L47S20-K24 WeakPolarHBondContact O-CB 3.35Å; S20-K24 PolarHBondContact O-N 2.92Å; S21-K24 PolarHBondContact O-N 2.95Å; I22-K24 PolarHBondContact O-N 2.95Å; K24-Y27 WeakPolarHBondContact O-CB 3.28Å; K24-Y27 PolarHBondContact O-N 3.04Å; K24-E28 WeakPolarHBondContact O-CG 3.2Å; K24-E28 PolarHBondContact O-N 3.02Å; K24-L47 HydrophobicContact CB-CD1 3.95Å
25Y57.1Low59.3Low68 Ų6872.8 Ų72.827%0.26736%0.358SS..Hα-helixtrans-63-49175.8170.4-92000111.7S21 I22 Q23 Y27 E28 E29 Y132S21-Y25 WeakPolarHBondContact O-CB 3.39Å; S21-Y25 PolarHBondContact O-N 3.06Å; I22-Y25 CarbonylContact O-C 3.58Å; I22-Y25 WeakPolarHBondContact O-CA 3.48Å; I22-Y25 WeakPolarHBondContact O-CB 3.37Å; I22-Y25 PolarHBondContact O-N 3.29Å; I22-Y25 VanDerWaalsContact O-N 3.14Å; Q23-Y25 VanDerWaalsContact C-N 3.3Å; Y25-Y27 PolarHBondContact O-N 2.91Å; Y25-E28 PolarHBondContact O-N 3.35Å; Y25-E29 HydrophobicContact CD1-CG 4.23Å; Y25-E29 HydrophobicContact CD2-CG 4.01Å; Y25-E29 HydrophobicContact CE1-CG 3.74Å; Y25-E29 HydrophobicContact CE2-CG 3.5Å; Y25-E29 VanDerWaalsContact CE2-CG 3.5Å; Y25-E29 HydrophobicContact CG-CG 4.33Å; Y25-E29 WeakPolarHBondContact O-CB 3.3Å; Y25-E29 VanDerWaalsContact O-CG 3.27Å; Y25-E29 WeakPolarHBondContact O-CG 3.48Å; Y25-E29 PolarHBondContact O-N 2.86Å; Y25-E29 WeakPolarHBondContact OH-CG 3.31Å; Y25-E29 PolarHBondContact OH-OE2 3.37Å; Y25-Y132 AromaticContact CE2-CE1 3.77Å; Y25-Y132 HydrophobicContact CE2-CE1 3.77Å; Y25-Y132 AromaticContact CZ-CE1 3.53Å; Y25-Y132 WeakPolarHBondContact OH-CD1 3.31Å; Y25-Y132 WeakPolarHBondContact OH-CE1 3.38Å; Y25-Y132 PolarHBondContact OH-OH 2.98Å
26E61.7Low58.9Low94 Ų9476.5 Ų76.544%0.43938%0.378SS..Hα-helixtrans-56.1-37.9174.6-72.9-177.2167.200112.1I22 Q23 A30I22-E26 HydrophobicContact CG2-CG 4.2Å; I22-E26 WeakPolarHBondContact O-CG 3.37Å; I22-E26 PolarHBondContact O-N 2.8Å; Q23-E26 PolarHBondContact O-N 3.49Å; E26-A30 WeakPolarHBondContact O-CB 3.45Å; E26-A30 PolarHBondContact O-N 3.32Å
27Y56.7Low58.4Low69 Ų6977.8 Ų77.827%0.27139%0.389SS..Hα-helixtrans-66.8-50.3175.1172.1-97.8000112.7Q23 K24 Y25 E29 A30 K31 W43 L47Q23-Y27 WeakPolarHBondContact O-CB 3.24Å; Q23-Y27 PolarHBondContact O-N 2.99Å; K24-Y27 WeakPolarHBondContact O-CB 3.28Å; K24-Y27 PolarHBondContact O-N 3.04Å; Y25-Y27 PolarHBondContact O-N 2.91Å; Y27-E29 VanDerWaalsContact C-N 3.3Å; Y27-E29 PolarHBondContact O-N 3.44Å; Y27-A30 PolarHBondContact O-N 3.03Å; Y27-K31 HydrophobicContact CE1-CD 4.38Å; Y27-K31 VanDerWaalsContact O-CB 3.27Å; Y27-K31 WeakPolarHBondContact O-CB 3.43Å; Y27-K31 PolarHBondContact O-N 3.41Å; Y27-W43 HydrophobicContact CD2-CB 3.86Å; Y27-W43 HydrophobicContact CE2-CB 4.34Å; Y27-L47 HydrophobicContact CD1-CD2 3.94Å; Y27-L47 HydrophobicContact CE1-CD2 4.35Å; Y27-L47 HydrophobicContact CG-CD2 4.07Å
28E59.3Low58.3Low59 Ų5980.2 Ų80.228%0.27640%0.404SS..Hα-helixtrans-64.7-35.6179.4-69.9-62.4155.500111.6K24 Y25 K32K24-E28 WeakPolarHBondContact O-CG 3.2Å; K24-E28 PolarHBondContact O-N 3.02Å; Y25-E28 PolarHBondContact O-N 3.35Å; E28-K32 VanDerWaalsContact O-CG 3.32Å; E28-K32 WeakPolarHBondContact O-CG 3.49Å; E28-K32 PolarHBondContact O-N 3.2Å
29E57.7Low58Low42 Ų4280.3 Ų80.320%0.19642%0.421CS..Hα-helixtrans-71.3-44.8175.1-68.8-62.898.500112.5Y25 Y27 K31 K32 G33 Y132Y25-E29 HydrophobicContact CD1-CG 4.23Å; Y25-E29 HydrophobicContact CD2-CG 4.01Å; Y25-E29 HydrophobicContact CE1-CG 3.74Å; Y25-E29 HydrophobicContact CE2-CG 3.5Å; Y25-E29 VanDerWaalsContact CE2-CG 3.5Å; Y25-E29 HydrophobicContact CG-CG 4.33Å; Y25-E29 WeakPolarHBondContact O-CB 3.3Å; Y25-E29 VanDerWaalsContact O-CG 3.27Å; Y25-E29 WeakPolarHBondContact O-CG 3.48Å; Y25-E29 PolarHBondContact O-N 2.86Å; Y25-E29 WeakPolarHBondContact OH-CG 3.31Å; Y25-E29 PolarHBondContact OH-OE2 3.37Å; Y27-E29 VanDerWaalsContact C-N 3.3Å; Y27-E29 PolarHBondContact O-N 3.44Å; E29-K31 VanDerWaalsContact C-N 3.25Å; E29-K31 PolarHBondContact O-N 2.99Å; E29-K32 PolarHBondContact O-N 2.91Å; E29-K32 IonicContact OE1-NZ 2.65Å; E29-K32 PolarHBondContact OE1-NZ 2.89Å; E29-G33 PolarHBondContact O-N 2.8Å; E29-G33 VanDerWaalsContact O-N 3.15Å; E29-Y132 PolarHBondContact OE2-OH 3.46Å
30A56.2Low57.5Low29 Ų2987.3 Ų87.324%0.2444%0.442CS..Hα-helixtrans-60.6-37.7174.700000111.5E26 Y27 K32 G33 D34E26-A30 WeakPolarHBondContact O-CB 3.45Å; E26-A30 PolarHBondContact O-N 3.32Å; Y27-A30 PolarHBondContact O-N 3.03Å; A30-K32 VanDerWaalsContact C-N 3.34Å; A30-K32 PolarHBondContact O-N 3.04Å; A30-G33 PolarHBondContact O-N 3.23Å; A30-D34 WeakPolarHBondContact O-CB 3.37Å; A30-D34 PolarHBondContact O-N 3.37Å
31K57.6Low57.4Low139 Ų13993.8 Ų93.860%0.60447%0.465SS*.Hα-helixtrans-65.8-32.5176.9-173.4-178.3174.5-168.20113.1Y27 E29Y27-K31 HydrophobicContact CE1-CD 4.38Å; Y27-K31 VanDerWaalsContact O-CB 3.27Å; Y27-K31 WeakPolarHBondContact O-CB 3.43Å; Y27-K31 PolarHBondContact O-N 3.41Å; E29-K31 VanDerWaalsContact C-N 3.25Å; E29-K31 PolarHBondContact O-N 2.99Å
32K63.4Low57.8Low94 Ų9496.9 Ų96.941%0.40948%0.478SS..Hα-helixtrans-77.3-31177.4-71.6170.1-156153.30113E28 E29 A30 I109E28-K32 VanDerWaalsContact O-CG 3.32Å; E28-K32 WeakPolarHBondContact O-CG 3.49Å; E28-K32 PolarHBondContact O-N 3.2Å; E29-K32 PolarHBondContact O-N 2.91Å; E29-K32 IonicContact OE1-NZ 2.65Å; E29-K32 PolarHBondContact OE1-NZ 2.89Å; A30-K32 VanDerWaalsContact C-N 3.34Å; A30-K32 PolarHBondContact O-N 3.04Å; K32-I109 HydrophobicContact CD-CG2 4.15Å; K32-I109 VanDerWaalsContact NZ-CG1 3.34Å
33G57.6Low57.7Low55 Ų5596.6 Ų96.657%0.56747%0.474SS*.Hα-helixtrans-95.3-9.8-173.100000116.2E29 A30E29-G33 PolarHBondContact O-N 2.8Å; E29-G33 VanDerWaalsContact O-N 3.15Å; A30-G33 PolarHBondContact O-N 3.23Å
34D52.4Low57.7Low73 Ų7395.1 Ų95.139%0.3948%0.475SS..  trans-138.368.9-158.3-148.5-0.3000114.2A30 N36 A37A30-D34 WeakPolarHBondContact O-CB 3.37Å; A30-D34 PolarHBondContact O-N 3.37Å; D34-N36 PolarHBondContact O-N 3.23Å; D34-N36 VanDerWaalsContact O-N 3.09Å; D34-N36 VanDerWaalsContact OD1-C 3.3Å; D34-A37 HydrophobicContact CB-CB 3.87Å; D34-A37 VanDerWaalsContact CG-N 3.33Å; D34-A37 PolarHBondContact O-N 3.34Å; D34-A37 VanDerWaalsContact OD1-CA 3.29Å; D34-A37 WeakPolarHBondContact OD1-CA 3.36Å; D34-A37 PolarHBondContact OD1-N 2.97Å; D34-A37 WeakPolarHBondContact OD2-CA 3.34Å; D34-A37 WeakPolarHBondContact OD2-CB 3.28Å
35E59.6Low58Low199 Ų19990.1 Ų90.193%0.9346%0.458SS*.THydrogen-bonded Turntrans-58.5-14.5166.1-72.1-174.8167.900112.6
36N58.6Low58.2Low152 Ų15293.5 Ų93.581%0.81347%0.47SS*.THydrogen-bonded Turntrans-122.621.7-175.5-69-50.2000114.2D34D34-N36 PolarHBondContact O-N 3.23Å; D34-N36 VanDerWaalsContact O-N 3.09Å; D34-N36 VanDerWaalsContact OD1-C 3.3Å
37A53.9Low58Low34 Ų3490.4 Ų90.428%0.28146%0.456SS..  trans-57.5144.3-17900000112.1D34 P39D34-A37 HydrophobicContact CB-CB 3.87Å; D34-A37 VanDerWaalsContact CG-N 3.33Å; D34-A37 PolarHBondContact O-N 3.34Å; D34-A37 VanDerWaalsContact OD1-CA 3.29Å; D34-A37 WeakPolarHBondContact OD1-CA 3.36Å; D34-A37 PolarHBondContact OD1-N 2.97Å; D34-A37 WeakPolarHBondContact OD2-CA 3.34Å; D34-A37 WeakPolarHBondContact OD2-CB 3.28Å; A37-P39 WeakPolarHBondContact O-CD 3.26Å
38D54.8Low58.3Low90 Ų9095.8 Ų95.848%0.48148%0.476SS..  trans-53.9113.7172.1-177.7-8.4000110R40 R41D38-R40 PolarHBondContact O-N 2.87Å; D38-R40 VanDerWaalsContact OD1-CB 3.27Å; D38-R40 WeakPolarHBondContact OD1-CB 3.36Å; D38-R40 WeakPolarHBondContact OD1-CG 3.3Å; D38-R40 PolarHBondContact OD1-N 2.99Å; D38-R41 PolarHBondContact O-N 3.47Å
39P53Low58.6Low131 Ų13195.7 Ų95.785%0.85149%0.486SS*.THydrogen-bonded Turntrans-58.9-13.7-179.2-24.634.8000114.1A37A37-P39 WeakPolarHBondContact O-CD 3.26Å
40R55.1Low58.7Low221 Ų22193.9 Ų93.983%0.83448%0.478SS*.THydrogen-bonded Turntrans-79.6-15.6176.6-60.9174.5179168.21.4113.7D38 D42D38-R40 PolarHBondContact O-N 2.87Å; D38-R40 VanDerWaalsContact OD1-CB 3.27Å; D38-R40 WeakPolarHBondContact OD1-CB 3.36Å; D38-R40 WeakPolarHBondContact OD1-CG 3.3Å; D38-R40 PolarHBondContact OD1-N 2.99Å; R40-D42 PolarHBondContact O-N 3.45Å; R40-D42 VanDerWaalsContact O-N 3.11Å
41R57.3Low58.5Low142 Ų14295.9 Ų95.954%0.53648%0.484SS..  trans-76.897.5174.8-96.3179.3155.5-171-7.2109.2D38 W43D38-R41 PolarHBondContact O-N 3.47Å; R41-W43 PolarHBondContact O-N 3.31Å
42D65.5Low58.6Low106 Ų10691.9 Ų91.957%0.56747%0.473SS*.  trans-74.270175.3-173.519.1000111.8R40 G44 G45 R46R40-D42 PolarHBondContact O-N 3.45Å; R40-D42 VanDerWaalsContact O-N 3.11Å; D42-G44 VanDerWaalsContact C-N 3.27Å; D42-G44 PolarHBondContact O-N 3.45Å; D42-G45 VanDerWaalsContact CG-N 3.33Å; D42-G45 PolarHBondContact O-N 2.89Å; D42-G45 WeakPolarHBondContact OD1-CA 3.31Å; D42-G45 PolarHBondContact OD1-N 3.39Å; D42-G45 VanDerWaalsContact OD2-CA 3.27Å; D42-G45 WeakPolarHBondContact OD2-CA 3.33Å; D42-R46 PolarHBondContact O-N 2.88Å
43W58.1Low58.7Low49 Ų4992.4 Ų92.419%0.18648%0.477CS..Hα-helixtrans-63.3-36.4175.6-65.5116.9000112.1Y27 R41 G45 R46 L47Y27-W43 HydrophobicContact CD2-CB 3.86Å; Y27-W43 HydrophobicContact CE2-CB 4.34Å; R41-W43 PolarHBondContact O-N 3.31Å; W43-G45 VanDerWaalsContact C-N 3.33Å; W43-G45 PolarHBondContact O-N 2.92Å; W43-R46 PolarHBondContact O-N 3.38Å; W43-L47 WeakPolarHBondContact O-CB 3.45Å; W43-L47 PolarHBondContact O-N 3.26Å
44G58.1Low59Low31 Ų3192.1 Ų92.132%0.3246%0.46SS..Hα-helixtrans-61.9-40.7174.800000112.2D42 R48D42-G44 VanDerWaalsContact C-N 3.27Å; D42-G44 PolarHBondContact O-N 3.45Å; G44-R48 VanDerWaalsContact O-CB 3.26Å; G44-R48 WeakPolarHBondContact O-CB 3.37Å; G44-R48 PolarHBondContact O-N 3.28Å
45G63.8Low59.3Low16 Ų1696.7 Ų96.717%0.16547%0.472CS..Hα-helixtrans-67.2-39.6173.900000113.5D42 W43 R48 A49D42-G45 VanDerWaalsContact CG-N 3.33Å; D42-G45 PolarHBondContact O-N 2.89Å; D42-G45 WeakPolarHBondContact OD1-CA 3.31Å; D42-G45 PolarHBondContact OD1-N 3.39Å; D42-G45 VanDerWaalsContact OD2-CA 3.27Å; D42-G45 WeakPolarHBondContact OD2-CA 3.33Å; W43-G45 VanDerWaalsContact C-N 3.33Å; W43-G45 PolarHBondContact O-N 2.92Å; G45-R48 PolarHBondContact O-N 3.41Å; G45-A49 VanDerWaalsContact O-CB 3.3Å; G45-A49 WeakPolarHBondContact O-CB 3.35Å; G45-A49 PolarHBondContact O-N 2.94Å
46R61.6Low59.6Low139 Ų13993.2 Ų93.253%0.52545%0.454SS..Hα-helixtrans-61.8-49173.7-72.5178.5172.8-160.5-5.9111.8Q23 D42 W43 R48 A49 S50Q23-R46 PolarHBondContact OE1-O 3.33Å; D42-R46 PolarHBondContact O-N 2.88Å; W43-R46 PolarHBondContact O-N 3.38Å; R46-R48 VanDerWaalsContact C-N 3.34Å; R46-R48 PolarHBondContact O-N 3.08Å; R46-A49 WeakPolarHBondContact O-CB 3.36Å; R46-A49 PolarHBondContact O-N 3.01Å; R46-S50 PolarHBondContact O-N 3.43Å
47L58.5Low59.6Low28 Ų2887.7 Ų87.715%0.14742%0.423CS..Hα-helixtrans-59.7-44.7175.6-179.960.1000111.3K24 Y27 W43 A49 S50 I51K24-L47 HydrophobicContact CB-CD1 3.95Å; Y27-L47 HydrophobicContact CD1-CD2 3.94Å; Y27-L47 HydrophobicContact CE1-CD2 4.35Å; Y27-L47 HydrophobicContact CG-CD2 4.07Å; W43-L47 WeakPolarHBondContact O-CB 3.45Å; W43-L47 PolarHBondContact O-N 3.26Å; L47-A49 VanDerWaalsContact C-N 3.33Å; L47-A49 PolarHBondContact O-N 3.42Å; L47-S50 PolarHBondContact O-N 3.3Å; L47-I51 HydrophobicContact CD1-CD1 3.93Å; L47-I51 HydrophobicContact CD1-CG1 4.2Å; L47-I51 HydrophobicContact CG-CD1 3.87Å; L47-I51 WeakPolarHBondContact O-CB 3.48Å; L47-I51 VanDerWaalsContact O-CG1 3.29Å; L47-I51 WeakPolarHBondContact O-CG1 3.49Å; L47-I51 PolarHBondContact O-N 2.93Å
48R62.4Low60Low182 Ų18288.2 Ų88.269%0.68742%0.418SS*.Hα-helixtrans-61.7-40.5176.3-169.3-177.3-63.3138.11.3111.9G44 G45 R46 S52G44-R48 VanDerWaalsContact O-CB 3.26Å; G44-R48 WeakPolarHBondContact O-CB 3.37Å; G44-R48 PolarHBondContact O-N 3.28Å; G45-R48 PolarHBondContact O-N 3.41Å; R46-R48 VanDerWaalsContact C-N 3.34Å; R46-R48 PolarHBondContact O-N 3.08Å; R48-S52 VanDerWaalsContact O-CB 3.31Å; R48-S52 WeakPolarHBondContact O-CB 3.48Å; R48-S52 PolarHBondContact O-N 3.44Å
49A64.9Low60.2Low58 Ų5889.9 Ų89.948%0.47942%0.423SS..Hα-helixtrans-64.8-44.3176.900000111.6G45 R46 L47 S52 E53G45-A49 VanDerWaalsContact O-CB 3.3Å; G45-A49 WeakPolarHBondContact O-CB 3.35Å; G45-A49 PolarHBondContact O-N 2.94Å; R46-A49 WeakPolarHBondContact O-CB 3.36Å; R46-A49 PolarHBondContact O-N 3.01Å; L47-A49 VanDerWaalsContact C-N 3.33Å; L47-A49 PolarHBondContact O-N 3.42Å; A49-S52 WeakPolarHBondContact O-CB 3.34Å; A49-S52 PolarHBondContact O-N 3.24Å; A49-E53 WeakPolarHBondContact O-CB 3.35Å; A49-E53 PolarHBondContact O-N 2.95Å
50S59.8Low60.3Low3 Ų386.6 Ų86.62%0.02140%0.397CS..Hα-helixtrans-71.4-37.1179.4-1770000113.3S20 R46 L47 S52 E53 K54S20-S50 WeakPolarHBondContact CA-OG 3.46Å; S20-S50 VanDerWaalsContact CB-OG 3.31Å; S20-S50 WeakPolarHBondContact CB-OG 3.42Å; S20-S50 PolarHBondContact N-OG 2.87Å; R46-S50 PolarHBondContact O-N 3.43Å; L47-S50 PolarHBondContact O-N 3.3Å; S50-S52 VanDerWaalsContact C-N 3.31Å; S50-S52 PolarHBondContact O-N 3.07Å; S50-E53 PolarHBondContact O-N 3.16Å; S50-K54 WeakPolarHBondContact O-CB 3.47Å; S50-K54 PolarHBondContact O-N 2.97Å
51I53.2Low60.2Low71 Ų7177 Ų7736%0.36436%0.362SS..Hα-helixtrans-60.4-44.3169.1-69.6170.1000109.9L47 E53 K54 W55L47-I51 HydrophobicContact CD1-CD1 3.93Å; L47-I51 HydrophobicContact CD1-CG1 4.2Å; L47-I51 HydrophobicContact CG-CD1 3.87Å; L47-I51 WeakPolarHBondContact O-CB 3.48Å; L47-I51 VanDerWaalsContact O-CG1 3.29Å; L47-I51 WeakPolarHBondContact O-CG1 3.49Å; L47-I51 PolarHBondContact O-N 2.93Å; I51-E53 PolarHBondContact O-N 3.37Å; I51-K54 PolarHBondContact O-N 2.92Å; I51-W55 PolarHBondContact O-N 3.28Å
52S59.9Low60.4Low55 Ų5573.3 Ų73.339%0.38535%0.353SS..Hα-helixtrans-62.3-40.4176.6-178.60000112.7R48 A49 S50 W55 K56R48-S52 VanDerWaalsContact O-CB 3.31Å; R48-S52 WeakPolarHBondContact O-CB 3.48Å; R48-S52 PolarHBondContact O-N 3.44Å; A49-S52 WeakPolarHBondContact O-CB 3.34Å; A49-S52 PolarHBondContact O-N 3.24Å; S50-S52 VanDerWaalsContact C-N 3.31Å; S50-S52 PolarHBondContact O-N 3.07Å; S52-W55 PolarHBondContact O-N 3.01Å; S52-K56 WeakPolarHBondContact O-CG 3.42Å; S52-K56 PolarHBondContact O-N 2.84Å
53E64.4Low59.9Low106 Ų10673.1 Ų73.150%0.49535%0.353SS..Hα-helixtrans-63.4-44.1175.6-170.6172.2-152.100111.3A49 S50 I51 W55 K56 E57A49-E53 WeakPolarHBondContact O-CB 3.35Å; A49-E53 PolarHBondContact O-N 2.95Å; S50-E53 PolarHBondContact O-N 3.16Å; I51-E53 PolarHBondContact O-N 3.37Å; E53-W55 PolarHBondContact O-N 3.18Å; E53-K56 PolarHBondContact O-N 2.95Å; E53-E57 WeakPolarHBondContact O-CG 3.38Å; E53-E57 PolarHBondContact O-N 3.23Å
54K64.5Low59.5Low49 Ų4971 Ų7121%0.21335%0.345CS..Hα-helixtrans-58.5-43.4173.8171.8176168.7175.60112.8Y17 S20 S50 I51 E57 R58Y17-K54 HydrophobicContact CD2-CD 4.27Å; Y17-K54 VanDerWaalsContact CD2-NZ 3.3Å; S20-K54 WeakPolarHBondContact OG-CD 3.18Å; S50-K54 WeakPolarHBondContact O-CB 3.47Å; S50-K54 PolarHBondContact O-N 2.97Å; I51-K54 PolarHBondContact O-N 2.92Å; K54-E57 PolarHBondContact O-N 3.33Å; K54-R58 PolarHBondContact O-N 3.41Å
55W59.4Low59.2Low169 Ų16970.5 Ų70.564%0.6433%0.334SS*.Hα-helixtrans-69-37.5178.1-72.9116.6000112.4I51 S52 E53 R58 E59I51-W55 PolarHBondContact O-N 3.28Å; S52-W55 PolarHBondContact O-N 3.01Å; E53-W55 PolarHBondContact O-N 3.18Å; W55-R58 WeakPolarHBondContact O-CB 3.3Å; W55-R58 PolarHBondContact O-N 2.9Å; W55-E59 PolarHBondContact O-N 3.26Å
56K65.1Low59Low125 Ų12573.4 Ų73.454%0.54335%0.352SS..Hα-helixtrans-62.9-42.9172.3-76.1176.7178.7178.30111.9S52 E53 R58 E59 I60S52-K56 WeakPolarHBondContact O-CG 3.42Å; S52-K56 PolarHBondContact O-N 2.84Å; E53-K56 PolarHBondContact O-N 2.95Å; K56-R58 VanDerWaalsContact C-N 3.28Å; K56-R58 PolarHBondContact O-N 3.44Å; K56-E59 PolarHBondContact O-N 3.44Å; K56-I60 VanDerWaalsContact O-CB 3.3Å; K56-I60 WeakPolarHBondContact O-CB 3.36Å; K56-I60 WeakPolarHBondContact O-CG1 3.35Å; K56-I60 PolarHBondContact O-N 2.99Å
57E59.2Low58.6Low36 Ų3669.4 Ų69.417%0.16835%0.349CS..Hα-helixtrans-66.3-31.5175.8-72.4-69.5172.300111.9Y13 A16 E53 K54 L61Y13-E57 HydrophobicContact CD2-CB 4.3Å; A16-E57 HydrophobicContact CB-CB 4.17Å; A16-E57 HydrophobicContact CB-CG 3.88Å; E53-E57 WeakPolarHBondContact O-CG 3.38Å; E53-E57 PolarHBondContact O-N 3.23Å; K54-E57 PolarHBondContact O-N 3.33Å; E57-L61 PolarHBondContact O-N 3.42Å
58R61.7Low58.2Low46 Ų4670.7 Ų70.717%0.17435%0.352CS..Hα-helixtrans-67.4-47.6171.4-174.262-176.4-136.911.1112.1Y13 K54 W55 K56 I60 L61 D62 E150Y13-R58 HydrophobicContact CD2-CB 4.46Å; Y13-R58 HydrophobicContact CE2-CB 3.95Å; Y13-R58 HydrophobicContact CE2-CG 4.43Å; Y13-R58 PolarHBondContact OH-NH1 3.09Å; K54-R58 PolarHBondContact O-N 3.41Å; W55-R58 WeakPolarHBondContact O-CB 3.3Å; W55-R58 PolarHBondContact O-N 2.9Å; K56-R58 VanDerWaalsContact C-N 3.28Å; K56-R58 PolarHBondContact O-N 3.44Å; R58-I60 VanDerWaalsContact C-N 3.29Å; R58-I60 PolarHBondContact O-N 3.35Å; R58-L61 CarbonylContact O-C 3.1Å; R58-L61 WeakPolarHBondContact O-CA 3.32Å; R58-L61 WeakPolarHBondContact O-CB 3.3Å; R58-L61 PolarHBondContact O-N 2.88Å; R58-D62 IonicContact NE-OD1 3.37Å; R58-D62 PolarHBondContact NE-OD1 3.43Å; R58-D62 VanDerWaalsContact O-CG 3.25Å; R58-D62 PolarHBondContact O-N 3.28Å; R58-E150 IonicContact CZ-OE2 3.08Å; R58-E150 IonicContact NH1-OE2 2.76Å; R58-E150 PolarHBondContact NH1-OE2 3.26Å; R58-E150 IonicContact NH2-OE1 3.97Å; R58-E150 PolarHBondContact NH2-OE1 3.49Å; R58-E150 IonicContact NH2-OE2 2.83Å; R58-E150 PolarHBondContact NH2-OE2 3.44Å; R58-E150 VanDerWaalsContact NH2-OE2 3.08Å
59E59.8Low57.9Low125 Ų12563.8 Ų63.858%0.58433%0.328SS*.Hα-helixtrans-58.3-44.1176-179178.9-158.500111W55 K56 L61 D62 D63W55-E59 PolarHBondContact O-N 3.26Å; K56-E59 PolarHBondContact O-N 3.44Å; E59-L61 VanDerWaalsContact C-N 3.34Å; E59-L61 PolarHBondContact O-N 2.76Å; E59-D62 PolarHBondContact O-N 2.89Å; E59-D63 PolarHBondContact O-N 3.24Å
60I53.7Low57.5Low61 Ų6164.5 Ų64.531%0.31333%0.334SS..Hα-helixtrans-58.2-45171.6-75.3173.2000110.1R9 K56 R58 D63 V64R9-I60 VanDerWaalsContact CZ-CG2 3.46Å; R9-I60 PolarHBondContact NH2-O 3.03Å; K56-I60 VanDerWaalsContact O-CB 3.3Å; K56-I60 WeakPolarHBondContact O-CB 3.36Å; K56-I60 WeakPolarHBondContact O-CG1 3.35Å; K56-I60 PolarHBondContact O-N 2.99Å; R58-I60 VanDerWaalsContact C-N 3.29Å; R58-I60 PolarHBondContact O-N 3.35Å; I60-D63 PolarHBondContact O-N 3.14Å; I60-V64 VanDerWaalsContact O-CG2 3.31Å; I60-V64 WeakPolarHBondContact O-CG2 3.34Å; I60-V64 PolarHBondContact O-N 2.78Å
61L54.2Low57.2Low19 Ų1971.3 Ų71.310%0.09937%0.366CS..Hα-helixtrans-61.8-43.7175.5-83.6-177.8000112.5R9 I10 Y13 E57 R58 E59 D63 V64 E65R9-L61 HydrophobicContact CB-CD2 4.22Å; I10-L61 HydrophobicContact CG1-CD2 4.12Å; Y13-L61 HydrophobicContact CD1-CD1 3.57Å; Y13-L61 HydrophobicContact CD2-CD1 3.57Å; Y13-L61 HydrophobicContact CD2-CG 4.45Å; Y13-L61 HydrophobicContact CE1-CD1 4.24Å; Y13-L61 HydrophobicContact CE2-CD1 4.24Å; Y13-L61 HydrophobicContact CG-CD1 3.17Å; Y13-L61 HydrophobicContact CG-CG 4.21Å; E57-L61 PolarHBondContact O-N 3.42Å; R58-L61 CarbonylContact O-C 3.1Å; R58-L61 WeakPolarHBondContact O-CA 3.32Å; R58-L61 WeakPolarHBondContact O-CB 3.3Å; R58-L61 PolarHBondContact O-N 2.88Å; E59-L61 VanDerWaalsContact C-N 3.34Å; E59-L61 PolarHBondContact O-N 2.76Å; L61-D63 PolarHBondContact O-N 3.25Å; L61-V64 PolarHBondContact O-N 2.86Å; L61-E65 WeakPolarHBondContact O-CB 3.35Å; L61-E65 PolarHBondContact O-N 2.98Å
62D59.9Low57.1Low65 Ų6569.3 Ų69.335%0.34836%0.357SS..Hα-helixtrans-60.6-35.6-179.7-62.8-19.3000110.9R58 E59 E65 S66R58-D62 IonicContact NE-OD1 3.37Å; R58-D62 PolarHBondContact NE-OD1 3.43Å; R58-D62 VanDerWaalsContact O-CG 3.25Å; R58-D62 PolarHBondContact O-N 3.28Å; E59-D62 PolarHBondContact O-N 2.89Å; D62-E65 PolarHBondContact O-N 3.29Å; D62-S66 WeakPolarHBondContact O-CB 3.36Å; D62-S66 PolarHBondContact O-N 3.49Å; D62-S66 PolarHBondContact O-OG 3.25Å
63D56.4Low56.5Low103 Ų10376 Ų7655%0.55137%0.373SS*.Hα-helixtrans-65.5-40.6172.5-81.8-16.7000112.9E59 I60 L61 A67E59-D63 PolarHBondContact O-N 3.24Å; I60-D63 PolarHBondContact O-N 3.14Å; L61-D63 PolarHBondContact O-N 3.25Å; D63-A67 WeakPolarHBondContact O-CB 3.48Å; D63-A67 PolarHBondContact O-N 2.74Å
64V48.3Very low55.8Low3 Ų376 Ų762%0.01838%0.381CS..Hα-helixtrans-71.3-40.3175.4-151.90000111.4H5 L6 R9 I60 L61 S66 A67 Y68H5-V64 WeakPolarHBondContact NE2-CG1 3.49Å; L6-V64 HydrophobicContact CD2-CB 3.77Å; L6-V64 HydrophobicContact CD2-CG1 3.2Å; L6-V64 HydrophobicContact CG-CG1 3.6Å; R9-V64 HydrophobicContact CB-CG2 4.42Å; R9-V64 VanDerWaalsContact CD-CG2 3.48Å; R9-V64 VanDerWaalsContact NH1-CG2 3.34Å; R9-V64 VanDerWaalsContact NH2-CG2 3.29Å; I60-V64 VanDerWaalsContact O-CG2 3.31Å; I60-V64 WeakPolarHBondContact O-CG2 3.34Å; I60-V64 PolarHBondContact O-N 2.78Å; L61-V64 PolarHBondContact O-N 2.86Å; V64-S66 VanDerWaalsContact C-N 3.25Å; V64-S66 PolarHBondContact O-N 3Å; V64-A67 CarbonylContact O-C 3.6Å; V64-A67 PolarHBondContact O-N 3.46Å; V64-A67 VanDerWaalsContact O-N 3.15Å; V64-Y68 VanDerWaalsContact O-CB 3.29Å; V64-Y68 WeakPolarHBondContact O-CB 3.47Å; V64-Y68 PolarHBondContact O-N 3.47Å
65E53.4Low55.1Low22 Ų2281.8 Ų81.810%0.10341%0.414CS..Hα-helixtrans-58.2-46.1177.7-174.5176.3179.200108.9L61 D62 A67 Y68 I69 I154 L157L61-E65 WeakPolarHBondContact O-CB 3.35Å; L61-E65 PolarHBondContact O-N 2.98Å; D62-E65 PolarHBondContact O-N 3.29Å; E65-A67 PolarHBondContact O-N 2.93Å; E65-Y68 PolarHBondContact O-N 3.26Å; E65-I69 HydrophobicContact CG-CD1 3.78Å; E65-I69 HydrophobicContact CG-CG1 4.46Å; E65-I69 WeakPolarHBondContact O-CB 3.48Å; E65-I69 WeakPolarHBondContact O-CD1 3.31Å; E65-I69 WeakPolarHBondContact O-CG1 3.3Å; E65-I69 PolarHBondContact O-N 2.94Å; E65-I154 HydrophobicContact CG-CG1 4.33Å; E65-L157 VanDerWaalsContact OE1-CD1 3.26Å; E65-L157 WeakPolarHBondContact OE1-CD1 3.2Å
66S57.8Low54.8Low76 Ų7677.2 Ų77.253%0.53141%0.405SS..Hα-helixtrans-58.3-45.8173-62.50000112.7D62 V64 A70D62-S66 WeakPolarHBondContact O-CB 3.36Å; D62-S66 PolarHBondContact O-N 3.49Å; D62-S66 PolarHBondContact O-OG 3.25Å; V64-S66 VanDerWaalsContact C-N 3.25Å; V64-S66 PolarHBondContact O-N 3Å; S66-A70 WeakPolarHBondContact O-CB 3.37Å; S66-A70 PolarHBondContact O-N 3.03Å; S66-A70 VanDerWaalsContact O-N 3.09Å
67A55Low54.5Low56 Ų5679.4 Ų79.446%0.46342%0.423SS..Hα-helixtrans-66.3-41.2178.400000112.8D63 V64 E65 A70 E71D63-A67 WeakPolarHBondContact O-CB 3.48Å; D63-A67 PolarHBondContact O-N 2.74Å; V64-A67 CarbonylContact O-C 3.6Å; V64-A67 PolarHBondContact O-N 3.46Å; V64-A67 VanDerWaalsContact O-N 3.15Å; E65-A67 PolarHBondContact O-N 2.93Å; A67-A70 WeakPolarHBondContact O-CB 3.37Å; A67-A70 PolarHBondContact O-N 3.39Å; A67-E71 PolarHBondContact O-N 3.46Å
68Y50.4Low54.7Low55 Ų5579.6 Ų79.622%0.21643%0.426CS..Hα-helixtrans-69.2-44.6178.8-178.1-103000111.6P3 L6 V64 E65 A70 E71 T72 T158P3-Y68 HydrophobicContact CG-CD2 4.38Å; P3-Y68 HydrophobicContact CG-CE2 4.28Å; L6-Y68 HydrophobicContact CD1-CD2 3.33Å; L6-Y68 HydrophobicContact CD1-CE2 3.86Å; L6-Y68 HydrophobicContact CD1-CG 3.76Å; V64-Y68 VanDerWaalsContact O-CB 3.29Å; V64-Y68 WeakPolarHBondContact O-CB 3.47Å; V64-Y68 PolarHBondContact O-N 3.47Å; E65-Y68 PolarHBondContact O-N 3.26Å; Y68-A70 PolarHBondContact O-N 3.36Å; Y68-E71 PolarHBondContact O-N 3.33Å; Y68-T72 HydrophobicContact CD2-CG2 3.92Å; Y68-T72 HydrophobicContact CE1-CG2 4.14Å; Y68-T72 WeakPolarHBondContact CE1-OG1 3.42Å; Y68-T72 HydrophobicContact CE2-CG2 3.43Å; Y68-T72 VanDerWaalsContact CE2-CG2 3.43Å; Y68-T72 HydrophobicContact CG-CG2 4.48Å; Y68-T72 PolarHBondContact O-N 2.93Å; Y68-T72 PolarHBondContact O-OG1 3.44Å; Y68-T158 HydrophobicContact CD1-CG2 4.13Å; Y68-T158 HydrophobicContact CE1-CG2 4.09Å
69I55.2Low55.6Low37 Ų3782.2 Ų82.219%0.1944%0.444CS..Hα-helixtrans-57.9-37.1172.8-70.2166.9000110.7E65 T158E65-I69 HydrophobicContact CG-CD1 3.78Å; E65-I69 HydrophobicContact CG-CG1 4.46Å; E65-I69 WeakPolarHBondContact O-CB 3.48Å; E65-I69 WeakPolarHBondContact O-CD1 3.31Å; E65-I69 WeakPolarHBondContact O-CG1 3.3Å; E65-I69 PolarHBondContact O-N 2.94Å; I69-T158 HydrophobicContact CG1-CG2 3.69Å
70A57.1Low56.6Low72 Ų7278.8 Ų78.860%0.59543%0.429SS*.Hα-helixtrans-67.4-36.1175.700000112.7S66 A67 Y68S66-A70 WeakPolarHBondContact O-CB 3.37Å; S66-A70 PolarHBondContact O-N 3.03Å; S66-A70 VanDerWaalsContact O-N 3.09Å; A67-A70 WeakPolarHBondContact O-CB 3.37Å; A67-A70 PolarHBondContact O-N 3.39Å; Y68-A70 PolarHBondContact O-N 3.36Å
71E52.5Low58.1Low147 Ų14780.9 Ų80.969%0.68744%0.437SS*.Hα-helixtrans-83-39.1-176.1-162.5171.4-160.200112.9A67 Y68 R73A67-E71 PolarHBondContact O-N 3.46Å; Y68-E71 PolarHBondContact O-N 3.33Å; E71-R73 PolarHBondContact O-N 3.33Å
72T50.9Low59.6Low28 Ų2884 Ų8417%0.17245%0.451CS..  trans-98.675.2-177.263.20000112.4Y68 T74Y68-T72 HydrophobicContact CD2-CG2 3.92Å; Y68-T72 HydrophobicContact CE1-CG2 4.14Å; Y68-T72 WeakPolarHBondContact CE1-OG1 3.42Å; Y68-T72 HydrophobicContact CE2-CG2 3.43Å; Y68-T72 VanDerWaalsContact CE2-CG2 3.43Å; Y68-T72 HydrophobicContact CG-CG2 4.48Å; Y68-T72 PolarHBondContact O-N 2.93Å; Y68-T72 PolarHBondContact O-OG1 3.44Å; T72-T74 VanDerWaalsContact C-N 3.31Å
73R47.9Very low60.8Low195 Ų19581.3 Ų81.374%0.73644%0.437SS*.  trans-90.812.5162.1-73.2-170.2-178.31697.2113.8E71 N75E71-R73 PolarHBondContact O-N 3.33Å; R73-N75 PolarHBondContact O-N 3.08Å
74T48.7Very low62.1Low108 Ų10879.4 Ų79.466%0.66342%0.424SS*.SBendtrans-67.7130.5175.615.20000110.5T72 V76T72-T74 VanDerWaalsContact C-N 3.31Å; T74-V76 VanDerWaalsContact C-N 3.29Å; T74-V76 WeakPolarHBondContact O-CG2 3.43Å; T74-V76 PolarHBondContact O-N 2.83Å
75N50.6Low64.1Low169 Ų16985.6 Ų85.690%0.90445%0.45SS*.  trans-41.184.8170.2-98.4-24.3000111.9R73 N77R73-N75 PolarHBondContact O-N 3.08Å; N75-N77 PolarHBondContact O-N 2.99Å
76V53.5Low65.8Low74 Ų7488.5 Ų88.545%0.44846%0.464SS..  trans-78106.8162.7-156.50000104.3T74 V78 T159T74-V76 VanDerWaalsContact C-N 3.29Å; T74-V76 WeakPolarHBondContact O-CG2 3.43Å; T74-V76 PolarHBondContact O-N 2.83Å; V76-V78 HydrophobicContact CB-CG2 3.68Å; V76-V78 HydrophobicContact CG1-CG2 3.19Å; V76-V78 PolarHBondContact O-N 3.19Å; V76-T159 HydrophobicContact CB-CG2 4.24Å
77N59.3Low67.2Low171 Ų17186.5 Ų86.591%0.91445%0.447SS*.  trans-71.768174.7-175.434.8000109N75N75-N77 PolarHBondContact O-N 2.99Å
78V63.2Low68.7Low39 Ų3988 Ų8824%0.23645%0.45CS..  trans-98.4137.1176.4-154.80000109.2V76 I80 L83 L155 T159V76-V78 HydrophobicContact CB-CG2 3.68Å; V76-V78 HydrophobicContact CG1-CG2 3.19Å; V76-V78 PolarHBondContact O-N 3.19Å; V78-I80 PolarHBondContact O-N 3.24Å; V78-L83 HydrophobicContact CB-CD1 3.89Å; V78-L83 HydrophobicContact CB-CG 4.47Å; V78-L83 HydrophobicContact CG1-CD1 3.39Å; V78-L83 HydrophobicContact CG1-CD2 3.89Å; V78-L83 HydrophobicContact CG1-CG 3.49Å; V78-L83 VanDerWaalsContact CG1-CG 3.49Å; V78-L83 HydrophobicContact CG2-CD1 4.48Å; V78-L155 HydrophobicContact CG2-CD1 4.44Å; V78-T159 HydrophobicContact CB-CG2 4.2Å; V78-T159 HydrophobicContact CG2-CG2 3.8Å
79N80.6Confident70.7Confident102 Ų10289.8 Ų89.855%0.54546%0.464SS..  trans-7197.6168.1-175.3-11.8000108.8E81 E82 L83N79-E81 PolarHBondContact O-N 3.01Å; N79-E81 PolarHBondContact OD1-N 3.39Å; N79-E82 HydrophobicContact CB-CB 3.89Å; N79-E82 WeakPolarHBondContact O-CB 3.5Å; N79-E82 PolarHBondContact O-N 3.38Å; N79-E82 PolarHBondContact OD1-N 3.05Å; N79-L83 PolarHBondContact O-N 3.44Å
80I80.5Confident72.2Confident53 Ų5388.5 Ų88.527%0.27246%0.457SS..Hα-helixtrans-52.5-40.4-179.4-69.1167.8000111.5V78 E82 L83 K84 L156 L160V78-I80 PolarHBondContact O-N 3.24Å; I80-E82 VanDerWaalsContact C-N 3.35Å; I80-L83 PolarHBondContact O-N 3.46Å; I80-K84 HydrophobicContact CG2-CD 4.25Å; I80-K84 WeakPolarHBondContact O-CG 3.32Å; I80-K84 PolarHBondContact O-N 2.88Å; I80-L156 HydrophobicContact CG2-CD1 3.96Å; I80-L160 HydrophobicContact CD1-CD2 4.31Å; I80-L160 HydrophobicContact CG2-CD2 3.79Å
81E83.8Confident73.6Confident104 Ų10486.5 Ų86.549%0.48644%0.444SS..Hα-helixtrans-70-33.3-179.2-67.3-56.8122.700112.3N79 K84 K85N79-E81 PolarHBondContact O-N 3.01Å; N79-E81 PolarHBondContact OD1-N 3.39Å; E81-K84 IonicContact OE1-NZ 2.87Å; E81-K84 PolarHBondContact OE1-NZ 2.84Å; E81-K85 WeakPolarHBondContact O-CG 3.38Å; E81-K85 PolarHBondContact O-N 3.29Å; E81-K85 VanDerWaalsContact O-N 3.14Å
82E87.8Confident75.4Confident86 Ų8683.8 Ų83.840%0.40244%0.435SS..Hα-helixtrans-69.7-41173.3-169.160.6-163.700111.4N79 I80 K84 K85 Q86N79-E82 HydrophobicContact CB-CB 3.89Å; N79-E82 WeakPolarHBondContact O-CB 3.5Å; N79-E82 PolarHBondContact O-N 3.38Å; N79-E82 PolarHBondContact OD1-N 3.05Å; I80-E82 VanDerWaalsContact C-N 3.35Å; E82-K84 PolarHBondContact O-N 3.23Å; E82-K85 WeakPolarHBondContact O-CB 3.43Å; E82-K85 PolarHBondContact O-N 2.92Å; E82-Q86 WeakPolarHBondContact O-CG 3.48Å; E82-Q86 PolarHBondContact O-N 3.33Å
83L83.2Confident77.4Confident8 Ų885.8 Ų85.84%0.04244%0.444CS..Hα-helixtrans-60.5-43.6173.8-73.9178.9000112.3V78 N79 I80 K85 Q86 L87 L155 L156V78-L83 HydrophobicContact CB-CD1 3.89Å; V78-L83 HydrophobicContact CB-CG 4.47Å; V78-L83 HydrophobicContact CG1-CD1 3.39Å; V78-L83 HydrophobicContact CG1-CD2 3.89Å; V78-L83 HydrophobicContact CG1-CG 3.49Å; V78-L83 VanDerWaalsContact CG1-CG 3.49Å; V78-L83 HydrophobicContact CG2-CD1 4.48Å; N79-L83 PolarHBondContact O-N 3.44Å; I80-L83 PolarHBondContact O-N 3.46Å; L83-K85 VanDerWaalsContact C-N 3.3Å; L83-K85 PolarHBondContact O-N 3.49Å; L83-Q86 PolarHBondContact O-N 3.49Å; L83-L87 WeakPolarHBondContact O-CB 3.41Å; L83-L87 PolarHBondContact O-N 2.84Å; L83-L155 HydrophobicContact CD1-CD2 4.23Å; L83-L155 HydrophobicContact CD1-CG 4.04Å; L83-L155 HydrophobicContact CD2-CD2 3.67Å; L83-L155 HydrophobicContact CD2-CG 4.33Å; L83-L156 HydrophobicContact CB-CD1 4.25Å; L83-L156 HydrophobicContact CD1-CB 4.44Å; L83-L156 HydrophobicContact CD1-CD1 4.37Å
84K85.4Confident79.2Confident63 Ų6378.2 Ų78.227%0.27442%0.418SS..Hα-helixtrans-60.1-41.3176.5-74.4173.4-175.6167.90111.5I80 E81 E82 T88 L156I80-K84 HydrophobicContact CG2-CD 4.25Å; I80-K84 WeakPolarHBondContact O-CG 3.32Å; I80-K84 PolarHBondContact O-N 2.88Å; E81-K84 IonicContact OE1-NZ 2.87Å; E81-K84 PolarHBondContact OE1-NZ 2.84Å; E82-K84 PolarHBondContact O-N 3.23Å; K84-T88 WeakPolarHBondContact O-CB 3.31Å; K84-T88 PolarHBondContact O-N 2.87Å; K84-T88 PolarHBondContact O-OG1 3.36Å; K84-L156 HydrophobicContact CG-CD1 4.17Å; K84-L156 HydrophobicContact CG-CD2 3.89Å
85K89.7Confident81Confident133 Ų13378.7 Ų78.758%0.57841%0.412SS*.Hα-helixtrans-64.7-45.8175.1-73.9175.3-174.5174.70111.9E81 E82 L83 T88 N89E81-K85 WeakPolarHBondContact O-CG 3.38Å; E81-K85 PolarHBondContact O-N 3.29Å; E81-K85 VanDerWaalsContact O-N 3.14Å; E82-K85 WeakPolarHBondContact O-CB 3.43Å; E82-K85 PolarHBondContact O-N 2.92Å; L83-K85 VanDerWaalsContact C-N 3.3Å; L83-K85 PolarHBondContact O-N 3.49Å; K85-T88 PolarHBondContact O-N 3.34Å; K85-N89 WeakPolarHBondContact O-CB 3.45Å; K85-N89 PolarHBondContact O-N 2.94Å
86Q88.9Confident83Confident82 Ų8273.5 Ų73.538%0.38339%0.393SS..Hα-helixtrans-59.3-48.4176.9-73.4176.8-10.700111.1E82 L83 T88 N89 T90 Q152E82-Q86 WeakPolarHBondContact O-CG 3.48Å; E82-Q86 PolarHBondContact O-N 3.33Å; L83-Q86 PolarHBondContact O-N 3.49Å; Q86-T88 VanDerWaalsContact C-N 3.33Å; Q86-T88 PolarHBondContact O-N 2.93Å; Q86-N89 PolarHBondContact O-N 3.01Å; Q86-T90 PolarHBondContact O-N 3.38Å; Q86-T90 PolarHBondContact O-OG1 3.32Å; Q86-Q152 PolarHBondContact O-OE1 3.48Å
87L86.3Confident84.6Confident35 Ų3571.1 Ų71.118%0.18338%0.377CS..Hα-helixtrans-60.9-42178.4-175.862.6000112.2L83 T90 G91 A149 Q152 R153 L156 M168L83-L87 WeakPolarHBondContact O-CB 3.41Å; L83-L87 PolarHBondContact O-N 2.84Å; L87-T90 PolarHBondContact O-N 2.94Å; L87-G91 PolarHBondContact O-N 3.17Å; L87-A149 HydrophobicContact CD1-CB 4.36Å; L87-A149 WeakPolarHBondContact CD1-O 3.49Å; L87-Q152 VanDerWaalsContact CA-OE1 3.31Å; L87-Q152 HydrophobicContact CB-CB 4.46Å; L87-Q152 HydrophobicContact CD1-CB 3.96Å; L87-R153 HydrophobicContact CD1-CB 4.28Å; L87-R153 HydrophobicContact CD2-CB 4.43Å; L87-L156 HydrophobicContact CD2-CD2 4.02Å; L87-M168 HydrophobicContact CD2-CE 4.39Å
88T87.9Confident86Confident86 Ų8666.5 Ų66.553%0.52835%0.352SS..Hα-helixtrans-62.9-45.2175.5-56.70000111.1K84 K85 Q86 G91 N92K84-T88 WeakPolarHBondContact O-CB 3.31Å; K84-T88 PolarHBondContact O-N 2.87Å; K84-T88 PolarHBondContact O-OG1 3.36Å; K85-T88 PolarHBondContact O-N 3.34Å; Q86-T88 VanDerWaalsContact C-N 3.33Å; Q86-T88 PolarHBondContact O-N 2.93Å; T88-G91 PolarHBondContact O-N 2.9Å; T88-N92 VanDerWaalsContact O-CG 3.3Å; T88-N92 PolarHBondContact O-N 3.24Å
89N92.1Very high87.2Confident93 Ų9368.7 Ų68.750%0.49736%0.363SS..Hα-helixtrans-64-44.2178.3-17258.6000112K85 Q86 G91 N92 N93K85-N89 WeakPolarHBondContact O-CB 3.45Å; K85-N89 PolarHBondContact O-N 2.94Å; Q86-N89 PolarHBondContact O-N 3.01Å; N89-G91 VanDerWaalsContact C-N 3.31Å; N89-G91 PolarHBondContact O-N 2.95Å; N89-N92 PolarHBondContact O-N 3.28Å; N89-N93 VanDerWaalsContact O-CG 3.24Å; N89-N93 PolarHBondContact O-N 3.46Å; N89-N93 PolarHBondContact O-ND2 3.42Å
90T87.2Confident87.7Confident10 Ų1066.6 Ų66.66%0.06135%0.351CS..Hα-helixtrans-61.5-41.3174.5-50.60000110.8Q86 L87 N92 N93 I94 E148 A149 Q152Q86-T90 PolarHBondContact O-N 3.38Å; Q86-T90 PolarHBondContact O-OG1 3.32Å; L87-T90 PolarHBondContact O-N 2.94Å; T90-N92 PolarHBondContact O-N 2.83Å; T90-N93 WeakPolarHBondContact O-CB 3.49Å; T90-N93 PolarHBondContact O-N 3.41Å; T90-I94 HydrophobicContact CG2-CD1 4.26Å; T90-I94 VanDerWaalsContact O-CG1 3.32Å; T90-I94 WeakPolarHBondContact O-CG1 3.39Å; T90-I94 PolarHBondContact O-N 3.4Å; T90-E148 HydrophobicContact CG2-CB 4.34Å; T90-E148 HydrophobicContact CG2-CG 4.23Å; T90-A149 HydrophobicContact CG2-CB 3.78Å; T90-Q152 PolarHBondContact OG1-NE2 3.33Å; T90-Q152 PolarHBondContact OG1-OE1 3.01Å
91G86.1Confident88.1Confident31 Ų3164.5 Ų64.532%0.3234%0.341SS..Hα-helixtrans-58.5-46.117400000113.1L87 T88 N89 N93 I94 E95L87-G91 PolarHBondContact O-N 3.17Å; T88-G91 PolarHBondContact O-N 2.9Å; N89-G91 VanDerWaalsContact C-N 3.31Å; N89-G91 PolarHBondContact O-N 2.95Å; G91-N93 VanDerWaalsContact C-N 3.33Å; G91-N93 PolarHBondContact O-N 2.98Å; G91-I94 WeakPolarHBondContact O-CB 3.46Å; G91-I94 PolarHBondContact O-N 3.28Å; G91-E95 PolarHBondContact O-N 3.34Å
92N89.8Confident88.2Confident90 Ų9065 Ų6548%0.48134%0.341SS..Hα-helixtrans-63.1-39.2175.6-66.2-15.7000111.8T88 N89 T90 E95 A96T88-N92 VanDerWaalsContact O-CG 3.3Å; T88-N92 PolarHBondContact O-N 3.24Å; N89-N92 PolarHBondContact O-N 3.28Å; T90-N92 PolarHBondContact O-N 2.83Å; N92-E95 PolarHBondContact O-N 3.28Å; N92-A96 WeakPolarHBondContact O-CB 3.43Å; N92-A96 PolarHBondContact O-N 3.48Å
93N92.9Very high88.3Confident69 Ų6966.1 Ų66.137%0.36935%0.347SS..Hα-helixtrans-65.6-39.3175.9-68.8-19.5000111.9N89 T90 G91 A96 Q97 L145N89-N93 VanDerWaalsContact O-CG 3.24Å; N89-N93 PolarHBondContact O-N 3.46Å; N89-N93 PolarHBondContact O-ND2 3.42Å; T90-N93 WeakPolarHBondContact O-CB 3.49Å; T90-N93 PolarHBondContact O-N 3.41Å; G91-N93 VanDerWaalsContact C-N 3.33Å; G91-N93 PolarHBondContact O-N 2.98Å; N93-A96 PolarHBondContact O-N 3.49Å; N93-Q97 WeakPolarHBondContact O-CB 3.31Å; N93-Q97 PolarHBondContact O-N 3.32Å; N93-L145 HydrophobicContact CB-CD1 4.36Å; N93-L145 HydrophobicContact CB-CD2 4.2Å
94I86.3Confident88.5Confident36 Ų3667 Ų6719%0.18535%0.351CS..Hα-helixtrans-61.1-45.5174-71.4165.9000110.3T90 G91 Q97 L98 L142 L145 M146 A149T90-I94 HydrophobicContact CG2-CD1 4.26Å; T90-I94 VanDerWaalsContact O-CG1 3.32Å; T90-I94 WeakPolarHBondContact O-CG1 3.39Å; T90-I94 PolarHBondContact O-N 3.4Å; G91-I94 WeakPolarHBondContact O-CB 3.46Å; G91-I94 PolarHBondContact O-N 3.28Å; I94-Q97 PolarHBondContact O-N 3.49Å; I94-L98 VanDerWaalsContact O-CB 3.3Å; I94-L98 WeakPolarHBondContact O-CB 3.4Å; I94-L98 PolarHBondContact O-N 2.89Å; I94-L142 HydrophobicContact CG2-CD1 4.05Å; I94-L145 HydrophobicContact CD1-CB 4.49Å; I94-L145 HydrophobicContact CG1-CB 3.69Å; I94-M146 HydrophobicContact CD1-CG 4.18Å; I94-M146 HydrophobicContact CG1-CG 4.39Å; I94-M146 HydrophobicContact CG2-CG 4.35Å; I94-A149 HydrophobicContact CD1-CB 3.56Å
95E86.6Confident88.4Confident118 Ų11867 Ų6755%0.55135%0.352SS*.Hα-helixtrans-63.1-45.2179.2-174.2174.5178.900111.9G91 N92 Q97 L98 N99G91-E95 PolarHBondContact O-N 3.34Å; N92-E95 PolarHBondContact O-N 3.28Å; E95-Q97 PolarHBondContact O-N 2.96Å; E95-L98 PolarHBondContact O-N 3.18Å; E95-N99 PolarHBondContact O-N 3.35Å; E95-N99 VanDerWaalsContact O-N 3.11Å; E95-N99 PolarHBondContact O-ND2 2.96Å
96A92Very high88.3Confident60 Ų6063.3 Ų63.350%0.49634%0.343SS..Hα-helixtrans-60.6-45.2174.600000111.7N92 N93 L98 N99 N100N92-A96 WeakPolarHBondContact O-CB 3.43Å; N92-A96 PolarHBondContact O-N 3.48Å; N93-A96 PolarHBondContact O-N 3.49Å; A96-L98 VanDerWaalsContact C-N 3.34Å; A96-L98 PolarHBondContact O-N 2.87Å; A96-N99 PolarHBondContact O-N 3.22Å; A96-N100 PolarHBondContact O-N 3.5Å
97Q87.9Confident88.2Confident25 Ų2564.4 Ų64.412%0.11735%0.347CS..Hα-helixtrans-66.1-36.9179.1-173.664.59.200112N93 I94 E95 N99 N100 V101 E138 L142 L145N93-Q97 WeakPolarHBondContact O-CB 3.31Å; N93-Q97 PolarHBondContact O-N 3.32Å; I94-Q97 PolarHBondContact O-N 3.49Å; E95-Q97 PolarHBondContact O-N 2.96Å; Q97-N99 VanDerWaalsContact C-N 3.32Å; Q97-N99 PolarHBondContact O-N 3.03Å; Q97-N100 WeakPolarHBondContact O-CB 3.44Å; Q97-N100 PolarHBondContact O-N 3.2Å; Q97-V101 WeakPolarHBondContact O-CG2 3.44Å; Q97-V101 PolarHBondContact O-N 3.12Å; Q97-E138 PolarHBondContact NE2-O 2.95Å; Q97-E138 PolarHBondContact NE2-OE2 3.47Å; Q97-L142 HydrophobicContact CB-CD1 4.03Å; Q97-L142 HydrophobicContact CG-CB 3.8Å; Q97-L142 HydrophobicContact CG-CD1 3.93Å; Q97-L142 HydrophobicContact CG-CG 4.43Å; Q97-L145 HydrophobicContact CB-CD1 3.85Å; Q97-L145 HydrophobicContact CG-CD1 4.06Å
98L88.2Confident88.1Confident73 Ų7362.8 Ų62.838%0.38234%0.338SS..Hα-helixtrans-62.7-41.3175.3-176.466.2000111.2I94 E95 A96 V101 K102 L142I94-L98 VanDerWaalsContact O-CB 3.3Å; I94-L98 WeakPolarHBondContact O-CB 3.4Å; I94-L98 PolarHBondContact O-N 2.89Å; E95-L98 PolarHBondContact O-N 3.18Å; A96-L98 VanDerWaalsContact C-N 3.34Å; A96-L98 PolarHBondContact O-N 2.87Å; L98-V101 PolarHBondContact O-N 3.48Å; L98-K102 WeakPolarHBondContact O-CG 3.13Å; L98-K102 PolarHBondContact O-N 3.02Å; L98-L142 HydrophobicContact CD1-CD2 4.1Å
99N89.2Confident88Confident86 Ų8660.2 Ų60.246%0.4632%0.321SS..Hα-helixtrans-65.8-40.1175.3-70.6-29.3000111.8E95 A96 Q97 K102 E103E95-N99 PolarHBondContact O-N 3.35Å; E95-N99 VanDerWaalsContact O-N 3.11Å; E95-N99 PolarHBondContact O-ND2 2.96Å; A96-N99 PolarHBondContact O-N 3.22Å; Q97-N99 VanDerWaalsContact C-N 3.32Å; Q97-N99 PolarHBondContact O-N 3.03Å; N99-K102 PolarHBondContact O-N 3.43Å; N99-E103 PolarHBondContact O-N 3.48Å; N99-E103 VanDerWaalsContact O-N 3.15Å
100N90.9Very high87.7Confident57 Ų5760.8 Ų60.831%0.30532%0.321SS..Hα-helixtrans-60.5-47.3173.3-177.138.3000111.9A96 Q97 K102 E103 L104 E138A96-N100 PolarHBondContact O-N 3.5Å; Q97-N100 WeakPolarHBondContact O-CB 3.44Å; Q97-N100 PolarHBondContact O-N 3.2Å; N100-K102 VanDerWaalsContact C-N 3.34Å; N100-K102 PolarHBondContact O-N 3.29Å; N100-E103 PolarHBondContact O-N 2.96Å; N100-L104 WeakPolarHBondContact O-CG 3.26Å; N100-L104 PolarHBondContact O-N 2.9Å; N100-E138 PolarHBondContact ND2-OE2 3.4Å
101V87.7Confident87.6Confident9 Ų960.9 Ų60.96%0.05532%0.323CS..Hα-helixtrans-59.5-42.5177.3166.40000111.5Q97 L98 E103 L104 E105 L135 E138 L139 L142Q97-V101 WeakPolarHBondContact O-CG2 3.44Å; Q97-V101 PolarHBondContact O-N 3.12Å; L98-V101 PolarHBondContact O-N 3.48Å; V101-E103 VanDerWaalsContact C-N 3.33Å; V101-E103 PolarHBondContact O-N 3.41Å; V101-L104 PolarHBondContact O-N 3Å; V101-E105 VanDerWaalsContact O-CB 3.31Å; V101-E105 WeakPolarHBondContact O-CB 3.29Å; V101-E105 PolarHBondContact O-N 2.98Å; V101-L135 HydrophobicContact CG1-CD1 4.07Å; V101-E138 HydrophobicContact CG2-CB 4.14Å; V101-L139 HydrophobicContact CG1-CD2 3.56Å; V101-L139 HydrophobicContact CG1-CG 4.14Å; V101-L139 HydrophobicContact CG2-CD2 4.38Å; V101-L142 HydrophobicContact CG2-CB 4.49Å; V101-L142 HydrophobicContact CG2-CD2 4.28Å
102K85.7Confident87.6Confident115 Ų11559.9 Ų59.950%0.531%0.311SS..Hα-helixtrans-60.2-41.2176-74.8172.3-178.5172.80112.4L98 N99 N100 S106L98-K102 WeakPolarHBondContact O-CG 3.13Å; L98-K102 PolarHBondContact O-N 3.02Å; N99-K102 PolarHBondContact O-N 3.43Å; N100-K102 VanDerWaalsContact C-N 3.34Å; N100-K102 PolarHBondContact O-N 3.29Å; K102-S106 PolarHBondContact O-N 3.4Å; K102-S106 VanDerWaalsContact O-N 3.15Å
103E89.8Confident87.5Confident110 Ų11058.9 Ų58.951%0.51431%0.306SS..Hα-helixtrans-67.2-43177.8-167.5-172.9145.300111.5N99 N100 V101 S106 K107N99-E103 PolarHBondContact O-N 3.48Å; N99-E103 VanDerWaalsContact O-N 3.15Å; N100-E103 PolarHBondContact O-N 2.96Å; V101-E103 VanDerWaalsContact C-N 3.33Å; V101-E103 PolarHBondContact O-N 3.41Å; E103-S106 WeakPolarHBondContact O-CB 3.46Å; E103-S106 PolarHBondContact O-N 3.4Å; E103-K107 WeakPolarHBondContact O-CG 3.27Å; E103-K107 PolarHBondContact O-N 3.22Å; E103-K107 WeakPolarHBondContact OE1-CE 3.49Å; E103-K107 IonicContact OE1-NZ 3.18Å; E103-K107 PolarHBondContact OE1-NZ 2.93Å
104L87.9Confident87.3Confident25 Ų2561 Ų6113%0.13131%0.312CS..Hα-helixtrans-66.9-36.8177.5-71.7170.5000112.6N100 V101 K107 A108 T134 L135 E138N100-L104 WeakPolarHBondContact O-CG 3.26Å; N100-L104 PolarHBondContact O-N 2.9Å; V101-L104 PolarHBondContact O-N 3Å; L104-K107 HydrophobicContact CD2-CD 4.46Å; L104-K107 PolarHBondContact O-N 3.5Å; L104-A108 WeakPolarHBondContact O-CB 3.5Å; L104-A108 PolarHBondContact O-N 3.48Å; L104-T134 HydrophobicContact CD1-CG2 4.29Å; L104-T134 HydrophobicContact CD2-CG2 3.97Å; L104-L135 HydrophobicContact CB-CB 4.47Å; L104-L135 HydrophobicContact CB-CD1 3.89Å; L104-E138 HydrophobicContact CD1-CB 3.8Å; L104-E138 HydrophobicContact CD1-CG 3.4Å; L104-E138 VanDerWaalsContact CD1-CG 3.4Å
105E83.6Confident87.4Confident63 Ų6360.9 Ų60.929%0.29431%0.311SS..Hα-helixtrans-59.7-48.1173.2-175.1179.7-169.900110.2V101 K107 A108 I109 L135V101-E105 VanDerWaalsContact O-CB 3.31Å; V101-E105 WeakPolarHBondContact O-CB 3.29Å; V101-E105 PolarHBondContact O-N 2.98Å; E105-K107 PolarHBondContact O-N 2.82Å; E105-A108 PolarHBondContact O-N 2.94Å; E105-I109 HydrophobicContact CG-CD1 3.95Å; E105-I109 VanDerWaalsContact O-CD1 3.28Å; E105-I109 WeakPolarHBondContact O-CD1 3.21Å; E105-I109 WeakPolarHBondContact O-CG1 3.47Å; E105-I109 PolarHBondContact O-N 3.38Å; E105-L135 HydrophobicContact CB-CD1 4.23Å; E105-L135 HydrophobicContact CB-CD2 4.32Å
106S87.4Confident87.4Confident57 Ų5759.2 Ų59.240%0.39930%0.304SS..Hα-helixtrans-57.9-44.8174.8-175.70000112.5K102 E103 I109 Q110K102-S106 PolarHBondContact O-N 3.4Å; K102-S106 VanDerWaalsContact O-N 3.15Å; E103-S106 WeakPolarHBondContact O-CB 3.46Å; E103-S106 PolarHBondContact O-N 3.4Å; S106-I109 PolarHBondContact O-N 2.97Å; S106-Q110 VanDerWaalsContact O-CG 3.31Å; S106-Q110 WeakPolarHBondContact O-CG 3.45Å; S106-Q110 PolarHBondContact O-N 3.39Å
107K87.6Confident87.4Confident105 Ų10563.3 Ų63.346%0.45732%0.317SS..Hα-helixtrans-63.4-42.8176.8-75.9168.8170.4165.70112.4E103 L104 E105 Q110 A111E103-K107 WeakPolarHBondContact O-CG 3.27Å; E103-K107 PolarHBondContact O-N 3.22Å; E103-K107 WeakPolarHBondContact OE1-CE 3.49Å; E103-K107 IonicContact OE1-NZ 3.18Å; E103-K107 PolarHBondContact OE1-NZ 2.93Å; L104-K107 HydrophobicContact CD2-CD 4.46Å; L104-K107 PolarHBondContact O-N 3.5Å; E105-K107 PolarHBondContact O-N 2.82Å; K107-Q110 PolarHBondContact O-N 3.09Å; K107-A111 PolarHBondContact O-N 3.45Å
108A84.4Confident87.6Confident0 Ų065.8 Ų65.80%033%0.331CS..Hα-helixtrans-63.5-43.8178.700000111.5L104 E105 Q110 A111 A112 A131 Y132 L135L104-A108 WeakPolarHBondContact O-CB 3.5Å; L104-A108 PolarHBondContact O-N 3.48Å; E105-A108 PolarHBondContact O-N 2.94Å; A108-Q110 VanDerWaalsContact C-N 3.35Å; A108-Q110 PolarHBondContact O-N 3.45Å; A108-A111 PolarHBondContact O-N 3.25Å; A108-A112 WeakPolarHBondContact O-CB 3.37Å; A108-A112 PolarHBondContact O-N 3.33Å; A108-A131 HydrophobicContact CB-CB 4.12Å; A108-Y132 HydrophobicContact CB-CD1 3.9Å; A108-Y132 HydrophobicContact CB-CD2 4.49Å; A108-Y132 HydrophobicContact CB-CE1 3.63Å; A108-Y132 HydrophobicContact CB-CE2 4.32Å; A108-Y132 HydrophobicContact CB-CG 4.3Å; A108-L135 HydrophobicContact CB-CD2 4.1Å
109I84.9Confident87.6Confident33 Ų3370.7 Ų70.717%0.16935%0.345CS..Hα-helixtrans-60.8-44174.7-64.2157.4000111K32 E105 S106 A111 A112 N113K32-I109 HydrophobicContact CD-CG2 4.15Å; K32-I109 VanDerWaalsContact NZ-CG1 3.34Å; E105-I109 HydrophobicContact CG-CD1 3.95Å; E105-I109 VanDerWaalsContact O-CD1 3.28Å; E105-I109 WeakPolarHBondContact O-CD1 3.21Å; E105-I109 WeakPolarHBondContact O-CG1 3.47Å; E105-I109 PolarHBondContact O-N 3.38Å; S106-I109 PolarHBondContact O-N 2.97Å; I109-A111 VanDerWaalsContact C-N 3.34Å; I109-A111 PolarHBondContact O-N 3.18Å; I109-A112 PolarHBondContact O-N 3.43Å; I109-N113 WeakPolarHBondContact O-CB 3.3Å; I109-N113 VanDerWaalsContact O-CG 3.27Å; I109-N113 PolarHBondContact O-N 3.38Å; I109-N113 PolarHBondContact O-ND2 2.93Å
110Q86Confident87.9Confident104 Ų10474 Ų7449%0.48636%0.362SS..Hα-helixtrans-62.7-40.9177.1-73176.320.600112S106 K107 A108 N113 K114S106-Q110 VanDerWaalsContact O-CG 3.31Å; S106-Q110 WeakPolarHBondContact O-CG 3.45Å; S106-Q110 PolarHBondContact O-N 3.39Å; K107-Q110 PolarHBondContact O-N 3.09Å; A108-Q110 VanDerWaalsContact C-N 3.35Å; A108-Q110 PolarHBondContact O-N 3.45Å; Q110-N113 PolarHBondContact O-N 2.89Å; Q110-K114 WeakPolarHBondContact O-CG 3.35Å; Q110-K114 PolarHBondContact O-N 2.91Å
111A85.1Confident88Confident13 Ų1373.9 Ų73.911%0.10736%0.362CS..Hα-helixtrans-65.3-43.3176.500000111.5K107 A108 I109 N113 K114 H115 H128 A131K107-A111 PolarHBondContact O-N 3.45Å; A108-A111 PolarHBondContact O-N 3.25Å; I109-A111 VanDerWaalsContact C-N 3.34Å; I109-A111 PolarHBondContact O-N 3.18Å; A111-N113 PolarHBondContact O-N 2.94Å; A111-K114 PolarHBondContact O-N 2.82Å; A111-H115 PolarHBondContact O-N 3.46Å; A111-H128 HydrophobicContact CB-CB 4.42Å; A111-A131 HydrophobicContact CB-CB 4.08Å
112A85.1Confident88.4Confident10 Ų1080.8 Ų80.88%0.08339%0.391CS..Hα-helixtrans-57.9-48.2174.400000111.8A108 I109 K114 H115 M116 Y132A108-A112 WeakPolarHBondContact O-CB 3.37Å; A108-A112 PolarHBondContact O-N 3.33Å; I109-A112 PolarHBondContact O-N 3.43Å; A112-K114 PolarHBondContact O-N 2.91Å; A112-H115 PolarHBondContact O-N 3.27Å; A112-M116 WeakPolarHBondContact O-CG 3.39Å; A112-M116 PolarHBondContact O-N 3.03Å; A112-Y132 HydrophobicContact CB-CE2 4.07Å
113N88.7Confident88.9Confident69 Ų6977.9 Ų77.937%0.36939%0.385SS..Hα-helixtrans-62.4-40.6178.9-72.8-19.1000112.5I109 Q110 A111 M116 N117I109-N113 WeakPolarHBondContact O-CB 3.3Å; I109-N113 VanDerWaalsContact O-CG 3.27Å; I109-N113 PolarHBondContact O-N 3.38Å; I109-N113 PolarHBondContact O-ND2 2.93Å; Q110-N113 PolarHBondContact O-N 2.89Å; A111-N113 PolarHBondContact O-N 2.94Å; N113-M116 PolarHBondContact O-N 3.21Å; N113-M116 WeakPolarHBondContact OD1-CE 3.37Å; N113-N117 PolarHBondContact O-N 3.05Å; N113-N117 VanDerWaalsContact O-N 3.13Å; N113-N117 PolarHBondContact O-ND2 2.71Å
114K88.8Confident89Confident114 Ų11473.8 Ų73.850%0.49637%0.367SS..Hα-helixtrans-61.8-47.4174.8-74.3175.2-178.21780111.5Q110 A111 A112 N117 N118 L124Q110-K114 WeakPolarHBondContact O-CG 3.35Å; Q110-K114 PolarHBondContact O-N 2.91Å; A111-K114 PolarHBondContact O-N 2.82Å; A112-K114 PolarHBondContact O-N 2.91Å; K114-N117 PolarHBondContact O-N 2.87Å; K114-N118 PolarHBondContact O-N 3.11Å; K114-L124 HydrophobicContact CB-CD1 4.39Å; K114-L124 HydrophobicContact CB-CD2 4.18Å
115H87.5Confident89.1Confident33 Ų3377.5 Ų77.515%0.15338%0.384CS..Hα-helixtrans-62.2-42.2177.2175.359.9000112A111 A112 N117 N118 R119 L124 E125 H128A111-H115 PolarHBondContact O-N 3.46Å; A112-H115 PolarHBondContact O-N 3.27Å; H115-N117 VanDerWaalsContact C-N 3.27Å; H115-N117 PolarHBondContact O-N 3.46Å; H115-N118 CarbonylContact O-C 3.55Å; H115-N118 PolarHBondContact O-N 2.98Å; H115-N118 VanDerWaalsContact O-N 3.09Å; H115-R119 WeakPolarHBondContact O-CA 3.42Å; H115-R119 PolarHBondContact O-N 3.34Å; H115-R119 VanDerWaalsContact O-N 3.12Å; H115-L124 HydrophobicContact CB-CB 4.09Å; H115-E125 WeakPolarHBondContact ND1-CA 3.27Å; H115-E125 PolarHBondContact ND1-N 3.39Å; H115-H128 HydrophobicContact CB-CB 4.15Å
116M87.4Confident89.5Confident83 Ų8381.1 Ų81.141%0.40940%0.4SS..Hα-helixtrans-60.9-35.3177.3-75.4-166.2-68.600113.2A112 N113 N118A112-M116 WeakPolarHBondContact O-CG 3.39Å; A112-M116 PolarHBondContact O-N 3.03Å; N113-M116 PolarHBondContact O-N 3.21Å; N113-M116 WeakPolarHBondContact OD1-CE 3.37Å; M116-N118 VanDerWaalsContact C-N 3.33Å
117N91.1Very high89.7Confident146 Ų14682.6 Ų82.678%0.78140%0.401SS*.Hα-helixtrans-76.2-18.3177.4-71.8-28.5000113.6N113 K114 H115N113-N117 PolarHBondContact O-N 3.05Å; N113-N117 VanDerWaalsContact O-N 3.13Å; N113-N117 PolarHBondContact O-ND2 2.71Å; K114-N117 PolarHBondContact O-N 2.87Å; H115-N117 VanDerWaalsContact C-N 3.27Å; H115-N117 PolarHBondContact O-N 3.46Å
118N92.8Very high89.6Confident76 Ų7680 Ų8041%0.40639%0.391SS..  trans-14771.8180-172.38000110.6K114 H115 M116 D120 D121 L124K114-N118 PolarHBondContact O-N 3.11Å; H115-N118 CarbonylContact O-C 3.55Å; H115-N118 PolarHBondContact O-N 2.98Å; H115-N118 VanDerWaalsContact O-N 3.09Å; M116-N118 VanDerWaalsContact C-N 3.33Å; N118-D120 PolarHBondContact O-N 2.87Å; N118-D121 HydrophobicContact CB-CB 4.41Å; N118-D121 WeakPolarHBondContact ND2-CB 3.33Å; N118-D121 WeakPolarHBondContact O-CB 3.47Å; N118-D121 PolarHBondContact O-N 3.27Å; N118-D121 VanDerWaalsContact O-N 3.16Å; N118-L124 HydrophobicContact CB-CD1 3.9Å
119R89.3Confident90Very high176 Ų17688.3 Ų88.366%0.66442%0.423SS*.THydrogen-bonded Turntrans-66.2-23.3-172.2-65.4-175.3-177.6-166.1-2.7114H115 D121H115-R119 WeakPolarHBondContact O-CA 3.42Å; H115-R119 PolarHBondContact O-N 3.34Å; H115-R119 VanDerWaalsContact O-N 3.12Å; R119-D121 VanDerWaalsContact C-N 3.27Å
120D93.5Very high90.3Very high156 Ų15693 Ų9383%0.83444%0.444SS*.THydrogen-bonded Turntrans-78.1-15178.9-64-32.6000112.4N118 K122N118-D120 PolarHBondContact O-N 2.87Å; D120-K122 PolarHBondContact O-N 3.19Å
121D94.9Very high90.4Very high54 Ų5489 Ų8929%0.28943%0.429SS..  trans-82.596.3177.5-170.3-19.2000111.1N118 R119 S123 L124 E125N118-D121 HydrophobicContact CB-CB 4.41Å; N118-D121 WeakPolarHBondContact ND2-CB 3.33Å; N118-D121 WeakPolarHBondContact O-CB 3.47Å; N118-D121 PolarHBondContact O-N 3.27Å; N118-D121 VanDerWaalsContact O-N 3.16Å; R119-D121 VanDerWaalsContact C-N 3.27Å; D121-S123 PolarHBondContact O-N 2.93Å; D121-S123 VanDerWaalsContact OD1-CB 3.31Å; D121-S123 WeakPolarHBondContact OD1-CB 3.49Å; D121-S123 PolarHBondContact OD1-N 2.81Å; D121-S123 PolarHBondContact OD1-OG 2.72Å; D121-L124 HydrophobicContact CB-CB 4.39Å; D121-L124 HydrophobicContact CB-CD1 3.94Å; D121-L124 HydrophobicContact CB-CG 4.07Å; D121-L124 WeakPolarHBondContact O-CB 3.48Å; D121-L124 PolarHBondContact O-N 3.08Å; D121-E125 PolarHBondContact O-N 3.44Å
122K94.1Very high90.5Very high154 Ų15490.1 Ų90.167%0.6743%0.431SS*.Hα-helixtrans-55.9-30.3177-66-175.5179.3-177.60113.4D120 L124 E125 E126D120-K122 PolarHBondContact O-N 3.19Å; K122-L124 PolarHBondContact O-N 3.19Å; K122-E125 WeakPolarHBondContact O-CB 3.45Å; K122-E125 PolarHBondContact O-N 3.3Å; K122-E126 WeakPolarHBondContact O-CG 3.44Å; K122-E126 PolarHBondContact O-N 3.08Å
123S96.2Very high90.7Very high54 Ų5491.8 Ų91.838%0.37844%0.442SS..Hα-helixtrans-67.9-29.5178.978.10000111.8D121 Q127D121-S123 PolarHBondContact O-N 2.93Å; D121-S123 VanDerWaalsContact OD1-CB 3.31Å; D121-S123 WeakPolarHBondContact OD1-CB 3.49Å; D121-S123 PolarHBondContact OD1-N 2.81Å; D121-S123 PolarHBondContact OD1-OG 2.72Å; S123-Q127 WeakPolarHBondContact O-CB 3.29Å; S123-Q127 VanDerWaalsContact O-CG 3.25Å; S123-Q127 WeakPolarHBondContact O-CG 3.44Å; S123-Q127 PolarHBondContact O-N 3.01Å; S123-Q127 VanDerWaalsContact O-N 3.12Å; S123-Q127 PolarHBondContact O-NE2 3.44Å; S123-Q127 VanDerWaalsContact O-NE2 3.12Å
124L92.1Very high90.8Very high25 Ų2590.9 Ų90.913%0.13144%0.439CS..Hα-helixtrans-77.8-34.4174.2-63.2178.5000111.8K114 H115 N118 D121 K122 Q127 H128K114-L124 HydrophobicContact CB-CD1 4.39Å; K114-L124 HydrophobicContact CB-CD2 4.18Å; H115-L124 HydrophobicContact CB-CB 4.09Å; N118-L124 HydrophobicContact CB-CD1 3.9Å; D121-L124 HydrophobicContact CB-CB 4.39Å; D121-L124 HydrophobicContact CB-CD1 3.94Å; D121-L124 HydrophobicContact CB-CG 4.07Å; D121-L124 WeakPolarHBondContact O-CB 3.48Å; D121-L124 PolarHBondContact O-N 3.08Å; K122-L124 PolarHBondContact O-N 3.19Å; L124-Q127 PolarHBondContact O-N 3.44Å; L124-H128 WeakPolarHBondContact O-CB 3.38Å; L124-H128 PolarHBondContact O-N 3.14Å
125E89.8Confident90.7Very high103 Ų10385.7 Ų85.748%0.48142%0.417SS..Hα-helixtrans-60.6-46.8172-170.7-178.5178.200111H115 D121 K122 H128 Y129H115-E125 WeakPolarHBondContact ND1-CA 3.27Å; H115-E125 PolarHBondContact ND1-N 3.39Å; D121-E125 PolarHBondContact O-N 3.44Å; K122-E125 WeakPolarHBondContact O-CB 3.45Å; K122-E125 PolarHBondContact O-N 3.3Å; E125-H128 WeakPolarHBondContact O-CB 3.35Å; E125-H128 PolarHBondContact O-N 3.35Å; E125-Y129 PolarHBondContact O-N 3.22Å
126E93.4Very high90.6Very high138 Ų13887 Ų8765%0.64543%0.432SS*.Hα-helixtrans-61.8-47.2176.7-73.4175.6-176.400111.7K122 H128 Y129 E130K122-E126 WeakPolarHBondContact O-CG 3.44Å; K122-E126 PolarHBondContact O-N 3.08Å; E126-H128 VanDerWaalsContact C-N 3.35Å; E126-H128 PolarHBondContact O-N 3.26Å; E126-Y129 PolarHBondContact O-N 3.46Å; E126-E130 WeakPolarHBondContact O-CB 3.35Å; E126-E130 PolarHBondContact O-N 3.44Å
127Q91.8Very high90.6Very high88 Ų8889.5 Ų89.541%0.41144%0.441SS..Hα-helixtrans-60.2-42.8176.5-77.9170.557.300112.5S123 L124 E130 A131S123-Q127 WeakPolarHBondContact O-CB 3.29Å; S123-Q127 VanDerWaalsContact O-CG 3.25Å; S123-Q127 WeakPolarHBondContact O-CG 3.44Å; S123-Q127 PolarHBondContact O-N 3.01Å; S123-Q127 VanDerWaalsContact O-N 3.12Å; S123-Q127 PolarHBondContact O-NE2 3.44Å; S123-Q127 VanDerWaalsContact O-NE2 3.12Å; L124-Q127 PolarHBondContact O-N 3.44Å; Q127-E130 PolarHBondContact O-N 2.98Å; Q127-A131 WeakPolarHBondContact O-CB 3.5Å; Q127-A131 PolarHBondContact O-N 2.77Å
128H85.7Confident90.5Very high52 Ų5285.2 Ų85.224%0.24142%0.416CS..Hα-helixtrans-58.7-49.9175.2159.2-113.1000111.1A111 H115 L124 E125 E126 E130 A131 Y132A111-H128 HydrophobicContact CB-CB 4.42Å; H115-H128 HydrophobicContact CB-CB 4.15Å; L124-H128 WeakPolarHBondContact O-CB 3.38Å; L124-H128 PolarHBondContact O-N 3.14Å; E125-H128 WeakPolarHBondContact O-CB 3.35Å; E125-H128 PolarHBondContact O-N 3.35Å; E126-H128 VanDerWaalsContact C-N 3.35Å; E126-H128 PolarHBondContact O-N 3.26Å; H128-E130 PolarHBondContact O-N 3.45Å; H128-A131 PolarHBondContact O-N 2.91Å; H128-Y132 AromaticContact CD2-CD2 3.36Å; H128-Y132 WeakPolarHBondContact CD2-CD2 3.4Å; H128-Y132 AromaticContact CD2-CE2 3.22Å; H128-Y132 WeakPolarHBondContact CD2-CE2 3.15Å; H128-Y132 AromaticContact NE2-CD2 3.29Å; H128-Y132 VanDerWaalsContact NE2-CD2 3.29Å; H128-Y132 WeakPolarHBondContact NE2-CD2 3.27Å; H128-Y132 AromaticContact NE2-CE2 3.11Å; H128-Y132 WeakPolarHBondContact NE2-CE2 3.42Å; H128-Y132 WeakPolarHBondContact O-CD2 2.69Å; H128-Y132 PolarHBondContact O-N 3.14Å; H128-Y132 VanDerWaalsContact O-N 3.12Å
129Y90.9Very high90.2Very high174 Ų17484.6 Ų84.668%0.68241%0.413SS*.Hα-helixtrans-63.4-42.1178.9-173.8-95.7000112.4E125 E126 Y132 S133E125-Y129 PolarHBondContact O-N 3.22Å; E126-Y129 PolarHBondContact O-N 3.46Å; Y129-Y132 PolarHBondContact O-N 3.32Å; Y129-S133 VanDerWaalsContact O-CB 3.29Å; Y129-S133 WeakPolarHBondContact O-CB 3.47Å; Y129-S133 PolarHBondContact O-N 3.49Å
130E93.2Very high90.1Very high130 Ų13084.7 Ų84.761%0.60741%0.413SS*.Hα-helixtrans-63.9-42.4177.8-173.7176.9-17000112.1E126 Q127 H128 S133 T134E126-E130 WeakPolarHBondContact O-CB 3.35Å; E126-E130 PolarHBondContact O-N 3.44Å; Q127-E130 PolarHBondContact O-N 2.98Å; H128-E130 PolarHBondContact O-N 3.45Å; E130-S133 PolarHBondContact O-N 3.3Å; E130-T134 WeakPolarHBondContact O-CB 3.27Å; E130-T134 PolarHBondContact O-N 2.83Å; E130-T134 PolarHBondContact O-OG1 2.78Å
131A86.2Confident89.8Confident21 Ų2179.4 Ų79.417%0.17439%0.389CS..Hα-helixtrans-62.1-44.6177.600000111.5A108 A111 Q127 H128 T134 L135A108-A131 HydrophobicContact CB-CB 4.12Å; A111-A131 HydrophobicContact CB-CB 4.08Å; Q127-A131 WeakPolarHBondContact O-CB 3.5Å; Q127-A131 PolarHBondContact O-N 2.77Å; H128-A131 PolarHBondContact O-N 2.91Å; A131-T134 PolarHBondContact O-N 3.31Å; A131-L135 WeakPolarHBondContact O-CB 3.45Å; A131-L135 PolarHBondContact O-N 3.11Å
132Y87.3Confident89.3Confident37 Ų3777.3 Ų77.315%0.14538%0.378CS..Hα-helixtrans-68-39.4175.4-83.5-61.6000113.5Y25 E29 A108 A112 H128 Y129 T134 L135 A136Y25-Y132 AromaticContact CE2-CE1 3.77Å; Y25-Y132 HydrophobicContact CE2-CE1 3.77Å; Y25-Y132 AromaticContact CZ-CE1 3.53Å; Y25-Y132 WeakPolarHBondContact OH-CD1 3.31Å; Y25-Y132 WeakPolarHBondContact OH-CE1 3.38Å; Y25-Y132 PolarHBondContact OH-OH 2.98Å; E29-Y132 PolarHBondContact OE2-OH 3.46Å; A108-Y132 HydrophobicContact CB-CD1 3.9Å; A108-Y132 HydrophobicContact CB-CD2 4.49Å; A108-Y132 HydrophobicContact CB-CE1 3.63Å; A108-Y132 HydrophobicContact CB-CE2 4.32Å; A108-Y132 HydrophobicContact CB-CG 4.3Å; A112-Y132 HydrophobicContact CB-CE2 4.07Å; H128-Y132 AromaticContact CD2-CD2 3.36Å; H128-Y132 WeakPolarHBondContact CD2-CD2 3.4Å; H128-Y132 AromaticContact CD2-CE2 3.22Å; H128-Y132 WeakPolarHBondContact CD2-CE2 3.15Å; H128-Y132 AromaticContact NE2-CD2 3.29Å; H128-Y132 VanDerWaalsContact NE2-CD2 3.29Å; H128-Y132 WeakPolarHBondContact NE2-CD2 3.27Å; H128-Y132 AromaticContact NE2-CE2 3.11Å; H128-Y132 WeakPolarHBondContact NE2-CE2 3.42Å; H128-Y132 WeakPolarHBondContact O-CD2 2.69Å; H128-Y132 PolarHBondContact O-N 3.14Å; H128-Y132 VanDerWaalsContact O-N 3.12Å; Y129-Y132 PolarHBondContact O-N 3.32Å; Y132-T134 VanDerWaalsContact C-N 3.27Å; Y132-T134 PolarHBondContact O-N 3.48Å; Y132-L135 HydrophobicContact CD1-CD2 4.16Å; Y132-L135 HydrophobicContact CE1-CD2 4.25Å; Y132-L135 PolarHBondContact O-N 2.98Å; Y132-A136 WeakPolarHBondContact O-CB 3.45Å; Y132-A136 PolarHBondContact O-N 3.44Å
133S89.2Confident88.8Confident44 Ų4471.3 Ų71.331%0.30835%0.354SS..Hα-helixtrans-59.8-40.7175.1-174.50000111.4Y129 E130 K137Y129-S133 VanDerWaalsContact O-CB 3.29Å; Y129-S133 WeakPolarHBondContact O-CB 3.47Å; Y129-S133 PolarHBondContact O-N 3.49Å; E130-S133 PolarHBondContact O-N 3.3Å; S133-K137 WeakPolarHBondContact O-CG 3.39Å; S133-K137 PolarHBondContact O-N 3.49Å
134T90.7Very high88.2Confident50 Ų5073.2 Ų73.231%0.30736%0.359SS..Hα-helixtrans-66.4-49.4175.3-57.20000111.2L104 E130 A131 Y132 A136 K137 E138L104-T134 HydrophobicContact CD1-CG2 4.29Å; L104-T134 HydrophobicContact CD2-CG2 3.97Å; E130-T134 WeakPolarHBondContact O-CB 3.27Å; E130-T134 PolarHBondContact O-N 2.83Å; E130-T134 PolarHBondContact O-OG1 2.78Å; A131-T134 PolarHBondContact O-N 3.31Å; Y132-T134 VanDerWaalsContact C-N 3.27Å; Y132-T134 PolarHBondContact O-N 3.48Å; T134-A136 VanDerWaalsContact C-N 3.3Å; T134-A136 PolarHBondContact O-N 3.33Å; T134-K137 PolarHBondContact O-N 3.01Å; T134-E138 WeakPolarHBondContact O-CG 3.47Å; T134-E138 PolarHBondContact O-N 3.47Å; T134-E138 VanDerWaalsContact O-N 3.08Å
135L87.3Confident87.9Confident6 Ų673.9 Ų73.93%0.03136%0.363CS..Hα-helixtrans-55.8-44.4176.3177.160.9000112V101 L104 E105 A108 A131 Y132 K137 E138 L139V101-L135 HydrophobicContact CG1-CD1 4.07Å; L104-L135 HydrophobicContact CB-CB 4.47Å; L104-L135 HydrophobicContact CB-CD1 3.89Å; E105-L135 HydrophobicContact CB-CD1 4.23Å; E105-L135 HydrophobicContact CB-CD2 4.32Å; A108-L135 HydrophobicContact CB-CD2 4.1Å; A131-L135 WeakPolarHBondContact O-CB 3.45Å; A131-L135 PolarHBondContact O-N 3.11Å; Y132-L135 HydrophobicContact CD1-CD2 4.16Å; Y132-L135 HydrophobicContact CE1-CD2 4.25Å; Y132-L135 PolarHBondContact O-N 2.98Å; L135-K137 PolarHBondContact O-N 3.26Å; L135-E138 PolarHBondContact O-N 2.89Å; L135-L139 HydrophobicContact CD1-CD1 4.2Å; L135-L139 HydrophobicContact CD1-CG 4.22Å; L135-L139 HydrophobicContact CG-CD1 3.98Å; L135-L139 HydrophobicContact CG-CG 4.46Å; L135-L139 WeakPolarHBondContact O-CB 3.14Å; L135-L139 WeakPolarHBondContact O-CG 3.36Å; L135-L139 PolarHBondContact O-N 2.92Å
136A85.2Confident87.6Confident59 Ų5971.8 Ų71.849%0.48835%0.354SS..Hα-helixtrans-63.3-39.1179.900000112.8Y132 T134 R140Y132-A136 WeakPolarHBondContact O-CB 3.45Å; Y132-A136 PolarHBondContact O-N 3.44Å; T134-A136 VanDerWaalsContact C-N 3.3Å; T134-A136 PolarHBondContact O-N 3.33Å; A136-R140 PolarHBondContact O-N 3.4Å; A136-R140 VanDerWaalsContact O-N 3.11Å
137K88.5Confident87.1Confident136 Ų13666.1 Ų66.159%0.59133%0.333SS*.Hα-helixtrans-63.7-45.2174.5-72.8171.5-175.3173.70111.4S133 T134 L135 R140 S141S133-K137 WeakPolarHBondContact O-CG 3.39Å; S133-K137 PolarHBondContact O-N 3.49Å; T134-K137 PolarHBondContact O-N 3.01Å; L135-K137 PolarHBondContact O-N 3.26Å; K137-R140 WeakPolarHBondContact O-CB 3.43Å; K137-R140 PolarHBondContact O-N 3.34Å; K137-S141 PolarHBondContact O-N 3.33Å
138E88.5Confident86.7Confident56 Ų5666 Ų6626%0.26233%0.333SS..Hα-helixtrans-71-33-178.9-64.8-52.4140.200112.8Q97 N100 V101 L104 T134 L135 R140 S141 L142Q97-E138 PolarHBondContact NE2-O 2.95Å; Q97-E138 PolarHBondContact NE2-OE2 3.47Å; N100-E138 PolarHBondContact ND2-OE2 3.4Å; V101-E138 HydrophobicContact CG2-CB 4.14Å; L104-E138 HydrophobicContact CD1-CB 3.8Å; L104-E138 HydrophobicContact CD1-CG 3.4Å; L104-E138 VanDerWaalsContact CD1-CG 3.4Å; T134-E138 WeakPolarHBondContact O-CG 3.47Å; T134-E138 PolarHBondContact O-N 3.47Å; T134-E138 VanDerWaalsContact O-N 3.08Å; L135-E138 PolarHBondContact O-N 2.89Å; E138-R140 VanDerWaalsContact C-N 3.33Å; E138-S141 WeakPolarHBondContact O-CB 3.46Å; E138-S141 PolarHBondContact O-N 2.86Å; E138-L142 PolarHBondContact O-N 2.86Å
139L86.5Confident86.5Confident64 Ų6464.3 Ų64.334%0.33533%0.327SS..Hα-helixtrans-62-40.6169.5-80.1169000111.8V101 L135 L142 V143V101-L139 HydrophobicContact CG1-CD2 3.56Å; V101-L139 HydrophobicContact CG1-CG 4.14Å; V101-L139 HydrophobicContact CG2-CD2 4.38Å; L135-L139 HydrophobicContact CD1-CD1 4.2Å; L135-L139 HydrophobicContact CD1-CG 4.22Å; L135-L139 HydrophobicContact CG-CD1 3.98Å; L135-L139 HydrophobicContact CG-CG 4.46Å; L135-L139 WeakPolarHBondContact O-CB 3.14Å; L135-L139 WeakPolarHBondContact O-CG 3.36Å; L135-L139 PolarHBondContact O-N 2.92Å; L139-L142 WeakPolarHBondContact O-CB 3.47Å; L139-L142 PolarHBondContact O-N 3.27Å; L139-V143 WeakPolarHBondContact O-CG2 3.33Å; L139-V143 PolarHBondContact O-N 3.48Å
140R86.8Confident85.9Confident177 Ų17757.9 Ų57.967%0.66830%0.303SS*.Hα-helixtrans-63.8-44175.6-172.3175.2-174.9144.42.2111.5A136 K137 E138 L142 V143 D144A136-R140 PolarHBondContact O-N 3.4Å; A136-R140 VanDerWaalsContact O-N 3.11Å; K137-R140 WeakPolarHBondContact O-CB 3.43Å; K137-R140 PolarHBondContact O-N 3.34Å; E138-R140 VanDerWaalsContact C-N 3.33Å; R140-L142 VanDerWaalsContact C-N 3.31Å; R140-L142 PolarHBondContact O-N 2.88Å; R140-V143 PolarHBondContact O-N 3.11Å; R140-D144 PolarHBondContact O-N 3.37Å
141S86.8Confident85.2Confident46 Ų4656.5 Ų56.532%0.32230%0.295SS..Hα-helixtrans-58-42.6173.9-177.80000112K137 E138 V143 D144 L145K137-S141 PolarHBondContact O-N 3.33Å; E138-S141 WeakPolarHBondContact O-CB 3.46Å; E138-S141 PolarHBondContact O-N 2.86Å; S141-V143 PolarHBondContact O-N 2.94Å; S141-D144 PolarHBondContact O-N 3.31Å; S141-L145 WeakPolarHBondContact O-CG 3.5Å; S141-L145 PolarHBondContact O-N 3.43Å
142L86.2Confident84.9Confident10 Ų1056 Ų565%0.05229%0.29CS..Hα-helixtrans-60-45.6174.7-179.261.7000112I94 Q97 L98 V101 E138 L139 R140 D144 L145 M146I94-L142 HydrophobicContact CG2-CD1 4.05Å; Q97-L142 HydrophobicContact CB-CD1 4.03Å; Q97-L142 HydrophobicContact CG-CB 3.8Å; Q97-L142 HydrophobicContact CG-CD1 3.93Å; Q97-L142 HydrophobicContact CG-CG 4.43Å; L98-L142 HydrophobicContact CD1-CD2 4.1Å; V101-L142 HydrophobicContact CG2-CB 4.49Å; V101-L142 HydrophobicContact CG2-CD2 4.28Å; E138-L142 PolarHBondContact O-N 2.86Å; L139-L142 WeakPolarHBondContact O-CB 3.47Å; L139-L142 PolarHBondContact O-N 3.27Å; R140-L142 VanDerWaalsContact C-N 3.31Å; R140-L142 PolarHBondContact O-N 2.88Å; L142-D144 VanDerWaalsContact C-N 3.33Å; L142-D144 PolarHBondContact O-N 3.44Å; L142-L145 PolarHBondContact O-N 3.28Å; L142-M146 HydrophobicContact CG-SD 4.31Å; L142-M146 VanDerWaalsContact O-CG 3.31Å; L142-M146 WeakPolarHBondContact O-CG 3.21Å; L142-M146 PolarHBondContact O-N 3.45Å
143V82Confident84.6Confident28 Ų2856.8 Ų56.817%0.1729%0.292CS..Hα-helixtrans-62.5-40.4177.5172.10000111.5Y17 L139 R140 S141 M146 G147Y17-V143 HydrophobicContact CD1-CG2 4.07Å; Y17-V143 HydrophobicContact CE1-CG2 3.92Å; L139-V143 WeakPolarHBondContact O-CG2 3.33Å; L139-V143 PolarHBondContact O-N 3.48Å; R140-V143 PolarHBondContact O-N 3.11Å; S141-V143 PolarHBondContact O-N 2.94Å; V143-M146 PolarHBondContact O-N 3.02Å; V143-G147 PolarHBondContact O-N 3.35Å
144D85.1Confident83.9Confident93 Ų9356.5 Ų56.550%0.49729%0.287SS..Hα-helixtrans-63.3-43.9176.9-71.8-28.9000111.3R140 S141 L142 M146 G147 E148R140-D144 PolarHBondContact O-N 3.37Å; S141-D144 PolarHBondContact O-N 3.31Å; L142-D144 VanDerWaalsContact C-N 3.33Å; L142-D144 PolarHBondContact O-N 3.44Å; D144-M146 PolarHBondContact O-N 2.82Å; D144-G147 PolarHBondContact O-N 3.25Å; D144-E148 PolarHBondContact O-N 2.91Å
145L84.4Confident83.2Confident39 Ų3956.3 Ų56.320%0.20428%0.284CS..Hα-helixtrans-61.7-42.5174.7-73.1170.6000112.5N93 I94 Q97 S141 L142 G147 E148 A149N93-L145 HydrophobicContact CB-CD1 4.36Å; N93-L145 HydrophobicContact CB-CD2 4.2Å; I94-L145 HydrophobicContact CD1-CB 4.49Å; I94-L145 HydrophobicContact CG1-CB 3.69Å; Q97-L145 HydrophobicContact CB-CD1 3.85Å; Q97-L145 HydrophobicContact CG-CD1 4.06Å; S141-L145 WeakPolarHBondContact O-CG 3.5Å; S141-L145 PolarHBondContact O-N 3.43Å; L142-L145 PolarHBondContact O-N 3.28Å; L145-G147 VanDerWaalsContact C-N 3.32Å; L145-G147 PolarHBondContact O-N 2.86Å; L145-E148 PolarHBondContact O-N 3.19Å; L145-A149 PolarHBondContact O-N 2.93Å
146M85Confident82.6Confident59 Ų5956.1 Ų56.129%0.29128%0.283SS..Hα-helixtrans-63.8-39.4176.3-70.8-18066.200111.9Y17 I94 L142 V143 D144 A149 E150Y17-M146 HydrophobicContact CD2-CE 4.4Å; Y17-M146 HydrophobicContact CE1-CE 4.48Å; Y17-M146 HydrophobicContact CE1-SD 4.24Å; Y17-M146 HydrophobicContact CE2-CE 3.46Å; Y17-M146 VanDerWaalsContact CE2-CE 3.46Å; Y17-M146 HydrophobicContact CE2-SD 4.23Å; Y17-M146 WeakPolarHBondContact OH-CE 3.33Å; Y17-M146 PolarHBondContact OH-SD 3.35Å; I94-M146 HydrophobicContact CD1-CG 4.18Å; I94-M146 HydrophobicContact CG1-CG 4.39Å; I94-M146 HydrophobicContact CG2-CG 4.35Å; L142-M146 HydrophobicContact CG-SD 4.31Å; L142-M146 VanDerWaalsContact O-CG 3.31Å; L142-M146 WeakPolarHBondContact O-CG 3.21Å; L142-M146 PolarHBondContact O-N 3.45Å; V143-M146 PolarHBondContact O-N 3.02Å; D144-M146 PolarHBondContact O-N 2.82Å; M146-A149 PolarHBondContact O-N 2.92Å; M146-E150 PolarHBondContact O-N 3.24Å
147G81.1Confident82Confident20 Ų2053.5 Ų53.521%0.20626%0.261CS..Hα-helixtrans-62.7-41174.300000112.9V143 D144 L145 F151V143-G147 PolarHBondContact O-N 3.35Å; D144-G147 PolarHBondContact O-N 3.25Å; L145-G147 VanDerWaalsContact C-N 3.32Å; L145-G147 PolarHBondContact O-N 2.86Å; G147-F151 WeakPolarHBondContact O-CB 3.36Å; G147-F151 PolarHBondContact O-N 2.95Å; G147-F151 VanDerWaalsContact O-N 3.08Å
148E83.4Confident81.2Confident86 Ų8648.3 Ų48.340%0.40224%0.24SC..Hα-helixtrans-64.7-43.8174.9-179.458.8-153.300111.6T90 D144 L145 E150 F151 Q152T90-E148 HydrophobicContact CG2-CB 4.34Å; T90-E148 HydrophobicContact CG2-CG 4.23Å; D144-E148 PolarHBondContact O-N 2.91Å; L145-E148 PolarHBondContact O-N 3.19Å; E148-E150 PolarHBondContact O-N 2.93Å; E148-F151 PolarHBondContact O-N 3.42Å; E148-Q152 VanDerWaalsContact O-CG 3.3Å; E148-Q152 WeakPolarHBondContact O-CG 3.45Å; E148-Q152 PolarHBondContact O-N 2.97Å; E148-Q152 WeakPolarHBondContact OE1-CG 3.29Å; E148-Q152 PolarHBondContact OE1-NE2 2.93Å
149A82.2Confident80.5Confident15 Ų1547.1 Ų47.112%0.12424%0.237CC..Hα-helixtrans-62-43.1177.500000112.4L87 T90 I94 L145 M146 F151 Q152 R153L87-A149 HydrophobicContact CD1-CB 4.36Å; L87-A149 WeakPolarHBondContact CD1-O 3.49Å; T90-A149 HydrophobicContact CG2-CB 3.78Å; I94-A149 HydrophobicContact CD1-CB 3.56Å; L145-A149 PolarHBondContact O-N 2.93Å; M146-A149 PolarHBondContact O-N 2.92Å; A149-F151 VanDerWaalsContact C-N 3.33Å; A149-Q152 PolarHBondContact O-N 3.3Å; A149-R153 VanDerWaalsContact O-CB 3.31Å; A149-R153 WeakPolarHBondContact O-CB 3.36Å; A149-R153 PolarHBondContact O-N 3.17Å
150E78.5Confident79.7Confident39 Ų3944.4 Ų44.418%0.18222%0.222CC..Hα-helixtrans-65.5-39.5177.2-165.370.1-122.400110.9R58 M146 E148 R153 I154R58-E150 IonicContact CZ-OE2 3.08Å; R58-E150 IonicContact NH1-OE2 2.76Å; R58-E150 PolarHBondContact NH1-OE2 3.26Å; R58-E150 IonicContact NH2-OE1 3.97Å; R58-E150 PolarHBondContact NH2-OE1 3.49Å; R58-E150 IonicContact NH2-OE2 2.83Å; R58-E150 PolarHBondContact NH2-OE2 3.44Å; R58-E150 VanDerWaalsContact NH2-OE2 3.08Å; M146-E150 PolarHBondContact O-N 3.24Å; E148-E150 PolarHBondContact O-N 2.93Å; E150-R153 PolarHBondContact O-N 3.43Å; E150-R153 IonicContact OE1-CZ 2.92Å; E150-R153 IonicContact OE1-NH1 3.33Å; E150-R153 PolarHBondContact OE1-NH1 3.46Å; E150-I154 HydrophobicContact CG-CD1 4.19Å; E150-I154 VanDerWaalsContact O-CG1 3.3Å; E150-I154 WeakPolarHBondContact O-CG1 3.19Å; E150-I154 PolarHBondContact O-N 2.87Å
151F78.4Confident79.2Confident101 Ų10139 Ų3944%0.44321%0.21SC..Hα-helixtrans-60.7-47.6174.8178.5-100.1000112.1F2 G147 E148 A149 R153 I154 L155F2-F151 HydrophobicContact CE2-CE2 4.39Å; G147-F151 WeakPolarHBondContact O-CB 3.36Å; G147-F151 PolarHBondContact O-N 2.95Å; G147-F151 VanDerWaalsContact O-N 3.08Å; E148-F151 PolarHBondContact O-N 3.42Å; A149-F151 VanDerWaalsContact C-N 3.33Å; F151-R153 VanDerWaalsContact C-N 3.32Å; F151-R153 PolarHBondContact O-N 3.15Å; F151-I154 PolarHBondContact O-N 3.39Å; F151-L155 WeakPolarHBondContact O-CB 3.28Å; F151-L155 PolarHBondContact O-N 3.4Å
152Q79.5Confident78.3Confident12 Ų1243.4 Ų43.46%0.05622%0.224CC..Hα-helixtrans-61.9-39.7176.9-71.2171.2-2.900111.8Q86 L87 T90 E148 A149 L155 L156Q86-Q152 PolarHBondContact O-OE1 3.48Å; L87-Q152 VanDerWaalsContact CA-OE1 3.31Å; L87-Q152 HydrophobicContact CB-CB 4.46Å; L87-Q152 HydrophobicContact CD1-CB 3.96Å; T90-Q152 PolarHBondContact OG1-NE2 3.33Å; T90-Q152 PolarHBondContact OG1-OE1 3.01Å; E148-Q152 VanDerWaalsContact O-CG 3.3Å; E148-Q152 WeakPolarHBondContact O-CG 3.45Å; E148-Q152 PolarHBondContact O-N 2.97Å; E148-Q152 WeakPolarHBondContact OE1-CG 3.29Å; E148-Q152 PolarHBondContact OE1-NE2 2.93Å; A149-Q152 PolarHBondContact O-N 3.3Å; Q152-L155 PolarHBondContact O-N 3.37Å; Q152-L156 WeakPolarHBondContact O-CB 3.11Å; Q152-L156 PolarHBondContact O-N 3.21Å
153R81Confident77.1Confident53 Ų5348.4 Ų48.420%0.225%0.25CS..Hα-helixtrans-62.8-48.6176.5-179.3176.7177.2-100.6-1.9111.7L87 A149 E150 F151 L155 L156 L157L87-R153 HydrophobicContact CD1-CB 4.28Å; L87-R153 HydrophobicContact CD2-CB 4.43Å; A149-R153 VanDerWaalsContact O-CB 3.31Å; A149-R153 WeakPolarHBondContact O-CB 3.36Å; A149-R153 PolarHBondContact O-N 3.17Å; E150-R153 PolarHBondContact O-N 3.43Å; E150-R153 IonicContact OE1-CZ 2.92Å; E150-R153 IonicContact OE1-NH1 3.33Å; E150-R153 PolarHBondContact OE1-NH1 3.46Å; F151-R153 VanDerWaalsContact C-N 3.32Å; F151-R153 PolarHBondContact O-N 3.15Å; R153-L155 VanDerWaalsContact C-N 3.34Å; R153-L155 PolarHBondContact O-N 2.97Å; R153-L156 PolarHBondContact O-N 2.87Å; R153-L157 HydrophobicContact CG-CD1 4.14Å; R153-L157 WeakPolarHBondContact O-CG 3.32Å; R153-L157 PolarHBondContact O-N 2.84Å
154I74.8Confident76.7Confident38 Ų3850.6 Ų50.620%0.19526%0.259CS..Hα-helixtrans-59.4-47.1176.8-69.1165.6000110.1E65 E150 F151 L156 L157 T158E65-I154 HydrophobicContact CG-CG1 4.33Å; E150-I154 HydrophobicContact CG-CD1 4.19Å; E150-I154 VanDerWaalsContact O-CG1 3.3Å; E150-I154 WeakPolarHBondContact O-CG1 3.19Å; E150-I154 PolarHBondContact O-N 2.87Å; F151-I154 PolarHBondContact O-N 3.39Å; I154-L156 VanDerWaalsContact C-N 3.33Å; I154-L156 PolarHBondContact O-N 3.44Å; I154-L157 PolarHBondContact O-N 3.41Å; I154-T158 HydrophobicContact CG2-CG2 4.36Å; I154-T158 VanDerWaalsContact O-CG2 3.29Å; I154-T158 WeakPolarHBondContact O-CG2 3Å; I154-T158 PolarHBondContact O-N 2.98Å; I154-T158 PolarHBondContact O-OG1 3.29Å
155L75.6Confident75.8Confident46 Ų4647.6 Ų47.624%0.24124%0.242CC..Hα-helixtrans-59.3-46.3179.1-175.961.5000111V78 L83 F151 Q152 R153 T158 T159V78-L155 HydrophobicContact CG2-CD1 4.44Å; L83-L155 HydrophobicContact CD1-CD2 4.23Å; L83-L155 HydrophobicContact CD1-CG 4.04Å; L83-L155 HydrophobicContact CD2-CD2 3.67Å; L83-L155 HydrophobicContact CD2-CG 4.33Å; F151-L155 WeakPolarHBondContact O-CB 3.28Å; F151-L155 PolarHBondContact O-N 3.4Å; Q152-L155 PolarHBondContact O-N 3.37Å; R153-L155 VanDerWaalsContact C-N 3.34Å; R153-L155 PolarHBondContact O-N 2.97Å; L155-T158 PolarHBondContact O-N 3.38Å; L155-T158 PolarHBondContact O-OG1 3.15Å; L155-T159 WeakPolarHBondContact O-CG2 3.18Å; L155-T159 PolarHBondContact O-N 2.92Å; L155-T159 PolarHBondContact O-OG1 3.12Å
156L75.5Confident74.6Confident2 Ų250.6 Ų50.61%0.0126%0.257CS..Hα-helixtrans-60.5-48.3176.3-178.557.9000111.5I80 L83 K84 L87 Q152 R153 I154 T158 T159 L160 M168I80-L156 HydrophobicContact CG2-CD1 3.96Å; L83-L156 HydrophobicContact CB-CD1 4.25Å; L83-L156 HydrophobicContact CD1-CB 4.44Å; L83-L156 HydrophobicContact CD1-CD1 4.37Å; K84-L156 HydrophobicContact CG-CD1 4.17Å; K84-L156 HydrophobicContact CG-CD2 3.89Å; L87-L156 HydrophobicContact CD2-CD2 4.02Å; Q152-L156 WeakPolarHBondContact O-CB 3.11Å; Q152-L156 PolarHBondContact O-N 3.21Å; R153-L156 PolarHBondContact O-N 2.87Å; I154-L156 VanDerWaalsContact C-N 3.33Å; I154-L156 PolarHBondContact O-N 3.44Å; L156-T158 VanDerWaalsContact C-N 3.31Å; L156-T158 PolarHBondContact O-N 3.26Å; L156-T159 PolarHBondContact O-N 2.65Å; L156-T159 PolarHBondContact O-OG1 3.15Å; L156-L160 HydrophobicContact CD1-CD1 3.94Å; L156-L160 HydrophobicContact CD1-CD2 4.17Å; L156-L160 HydrophobicContact CD1-CG 3.89Å; L156-L160 HydrophobicContact CG-CD1 3.82Å; L156-L160 HydrophobicContact CG-CG 4.23Å; L156-L160 WeakPolarHBondContact O-CG 3.22Å; L156-L160 PolarHBondContact O-N 3.17Å; L156-M168 HydrophobicContact CD2-CE 3.65Å; L156-M168 HydrophobicContact CD2-SD 3.77Å; L156-M168 HydrophobicContact CG-CE 4.4Å; L156-M168 HydrophobicContact CG-SD 4.11Å
157L71.6Confident73.8Confident4 Ų454.1 Ų54.12%0.02127%0.271CS..Hα-helixtrans-57.8-42178-74172.8000112.3E65 R153 I154 T159 L160 Q165 M168 I169E65-L157 VanDerWaalsContact OE1-CD1 3.26Å; E65-L157 WeakPolarHBondContact OE1-CD1 3.2Å; R153-L157 HydrophobicContact CG-CD1 4.14Å; R153-L157 WeakPolarHBondContact O-CG 3.32Å; R153-L157 PolarHBondContact O-N 2.84Å; I154-L157 PolarHBondContact O-N 3.41Å; L157-T159 PolarHBondContact O-N 2.76Å; L157-L160 PolarHBondContact O-N 3.36Å; L157-Q165 HydrophobicContact CD2-CB 4.07Å; L157-Q165 HydrophobicContact CD2-CG 4.18Å; L157-Q165 VanDerWaalsContact O-CG 3.24Å; L157-Q165 WeakPolarHBondContact O-CG 3.49Å; L157-Q165 PolarHBondContact O-NE2 2.98Å; L157-M168 HydrophobicContact CD2-CB 4.34Å; L157-I169 HydrophobicContact CD2-CG1 4.4Å
158T71.9Confident73.2Confident26 Ų2655.3 Ų55.316%0.1627%0.271CS..Hα-helixtrans-66.4-22.6177.9620000113.6Y68 I69 I154 L155 L156Y68-T158 HydrophobicContact CD1-CG2 4.13Å; Y68-T158 HydrophobicContact CE1-CG2 4.09Å; I69-T158 HydrophobicContact CG1-CG2 3.69Å; I154-T158 HydrophobicContact CG2-CG2 4.36Å; I154-T158 VanDerWaalsContact O-CG2 3.29Å; I154-T158 WeakPolarHBondContact O-CG2 3Å; I154-T158 PolarHBondContact O-N 2.98Å; I154-T158 PolarHBondContact O-OG1 3.29Å; L155-T158 PolarHBondContact O-N 3.38Å; L155-T158 PolarHBondContact O-OG1 3.15Å; L156-T158 VanDerWaalsContact C-N 3.31Å; L156-T158 PolarHBondContact O-N 3.26Å
159T73.8Confident72.2Confident31 Ų3154.6 Ų54.619%0.1927%0.27CS..Hα-helixtrans-92.9-24-179.459.70000114.1V76 V78 L155 L156 L157V76-T159 HydrophobicContact CB-CG2 4.24Å; V78-T159 HydrophobicContact CB-CG2 4.2Å; V78-T159 HydrophobicContact CG2-CG2 3.8Å; L155-T159 WeakPolarHBondContact O-CG2 3.18Å; L155-T159 PolarHBondContact O-N 2.92Å; L155-T159 PolarHBondContact O-OG1 3.12Å; L156-T159 PolarHBondContact O-N 2.65Å; L156-T159 PolarHBondContact O-OG1 3.15Å; L157-T159 PolarHBondContact O-N 2.76Å
160L71.2Confident71Confident7 Ų758 Ų584%0.03729%0.285CS..SBendtrans-78.6150.4-174.9-74.4176.8000112.6I80 L156 L157 E164 Q165 M168I80-L160 HydrophobicContact CD1-CD2 4.31Å; I80-L160 HydrophobicContact CG2-CD2 3.79Å; L156-L160 HydrophobicContact CD1-CD1 3.94Å; L156-L160 HydrophobicContact CD1-CD2 4.17Å; L156-L160 HydrophobicContact CD1-CG 3.89Å; L156-L160 HydrophobicContact CG-CD1 3.82Å; L156-L160 HydrophobicContact CG-CG 4.23Å; L156-L160 WeakPolarHBondContact O-CG 3.22Å; L156-L160 PolarHBondContact O-N 3.17Å; L157-L160 PolarHBondContact O-N 3.36Å; L160-E164 HydrophobicContact CB-CB 4.09Å; L160-E164 HydrophobicContact CD1-CB 4.21Å; L160-E164 HydrophobicContact CD2-CB 4.26Å; L160-E164 WeakPolarHBondContact CD2-OE2 3.25Å; L160-E164 HydrophobicContact CG-CB 4.42Å; L160-Q165 HydrophobicContact CB-CG 3.92Å; L160-Q165 PolarHBondContact O-NE2 3.22Å; L160-M168 HydrophobicContact CD1-CG 4.28Å; L160-M168 HydrophobicContact CD1-SD 3.28Å; L160-M168 WeakPolarHBondContact CD1-SD 3.29Å
161P74.4Confident70.2Confident63 Ų6361.5 Ų61.541%0.40930%0.301SS..  trans-55.5151.7162.9-24.335.5000112D163 E164 Q165P161-D163 VanDerWaalsContact C-N 3.29Å; P161-D163 WeakPolarHBondContact CB-OD1 3.49Å; P161-D163 PolarHBondContact O-N 3.43Å; P161-E164 PolarHBondContact O-N 3.25Å; P161-Q165 WeakPolarHBondContact O-CG 3.46Å; P161-Q165 PolarHBondContact O-N 3.4Å
162K68.8Low69.5Low139 Ų13958.1 Ų58.160%0.60429%0.292SS*.Hα-helixtrans-57.3-38.4-174.9-76.9-169.5170.8-163.80113.9Q165 I166K162-Q165 PolarHBondContact O-N 3.46Å; K162-I166 VanDerWaalsContact O-CG1 3.28Å; K162-I166 WeakPolarHBondContact O-CG1 3.35Å; K162-I166 PolarHBondContact O-N 2.9Å
163D61.5Low68.4Low115 Ų11563.4 Ų63.462%0.61532%0.318SS*.Hα-helixtrans-64.1-40.2177.456.1-55.7000111.8P161 K167P161-D163 VanDerWaalsContact C-N 3.29Å; P161-D163 WeakPolarHBondContact CB-OD1 3.49Å; P161-D163 PolarHBondContact O-N 3.43Å; D163-K167 WeakPolarHBondContact O-CB 3.37Å; D163-K167 PolarHBondContact O-N 3.09Å
164E72.2Confident67.4Low74 Ų7465.7 Ų65.735%0.34633%0.334SS..Hα-helixtrans-69.6-38.9173.7-71.2-166.2-134.500112.4L160 P161 K167 M168L160-E164 HydrophobicContact CB-CB 4.09Å; L160-E164 HydrophobicContact CD1-CB 4.21Å; L160-E164 HydrophobicContact CD2-CB 4.26Å; L160-E164 WeakPolarHBondContact CD2-OE2 3.25Å; L160-E164 HydrophobicContact CG-CB 4.42Å; P161-E164 PolarHBondContact O-N 3.25Å; E164-K167 PolarHBondContact O-N 3.12Å; E164-M168 PolarHBondContact O-N 2.97Å
165Q66.9Low66.9Low31 Ų3170.1 Ų70.115%0.14535%0.352CS..Hα-helixtrans-57.1-50.5173.6-67.1175.823.300111.2L157 L160 P161 K162 K167 M168 I169L157-Q165 HydrophobicContact CD2-CB 4.07Å; L157-Q165 HydrophobicContact CD2-CG 4.18Å; L157-Q165 VanDerWaalsContact O-CG 3.24Å; L157-Q165 WeakPolarHBondContact O-CG 3.49Å; L157-Q165 PolarHBondContact O-NE2 2.98Å; L160-Q165 HydrophobicContact CB-CG 3.92Å; L160-Q165 PolarHBondContact O-NE2 3.22Å; P161-Q165 WeakPolarHBondContact O-CG 3.46Å; P161-Q165 PolarHBondContact O-N 3.4Å; K162-Q165 PolarHBondContact O-N 3.46Å; Q165-K167 VanDerWaalsContact C-N 3.32Å; Q165-K167 PolarHBondContact O-N 3.49Å; Q165-M168 PolarHBondContact O-N 3.12Å; Q165-I169 WeakPolarHBondContact O-CG1 3.46Å; Q165-I169 PolarHBondContact O-N 2.65Å
166I58.9Low65.9Low102 Ų10272.7 Ų72.752%0.52337%0.366SS..Hα-helixtrans-59.5-45178.8-69.1165.3000110.4K162 M168 I169 I170K162-I166 VanDerWaalsContact O-CG1 3.28Å; K162-I166 WeakPolarHBondContact O-CG1 3.35Å; K162-I166 PolarHBondContact O-N 2.9Å; I166-M168 VanDerWaalsContact C-N 3.34Å; I166-M168 PolarHBondContact O-N 3.25Å; I166-I169 PolarHBondContact O-N 3.21Å; I166-I170 HydrophobicContact CG2-CD1 3.83Å; I166-I170 HydrophobicContact CG2-CG1 4.49Å; I166-I170 WeakPolarHBondContact O-CG1 3.31Å; I166-I170 PolarHBondContact O-N 3.18Å
167K68.7Low64.5Low132 Ų13276.3 Ų76.357%0.57439%0.391SS*.Hα-helixtrans-59.8-43.3178.2-174.1-179.9178.8-177.50112.2D163 E164 Q165 I170 Q171D163-K167 WeakPolarHBondContact O-CB 3.37Å; D163-K167 PolarHBondContact O-N 3.09Å; E164-K167 PolarHBondContact O-N 3.12Å; Q165-K167 VanDerWaalsContact C-N 3.32Å; Q165-K167 PolarHBondContact O-N 3.49Å; K167-I170 PolarHBondContact O-N 3.01Å; K167-Q171 WeakPolarHBondContact O-CG 3.09Å; K167-Q171 PolarHBondContact O-N 3.47Å
168M67.6Low63.6Low45 Ų4580.5 Ų80.522%0.22242%0.417CS..Hα-helixtrans-65.8-39.9177.6-78.3-164.761.700112.8L87 L156 L157 L160 E164 Q165 I166 Q171 A172L87-M168 HydrophobicContact CD2-CE 4.39Å; L156-M168 HydrophobicContact CD2-CE 3.65Å; L156-M168 HydrophobicContact CD2-SD 3.77Å; L156-M168 HydrophobicContact CG-CE 4.4Å; L156-M168 HydrophobicContact CG-SD 4.11Å; L157-M168 HydrophobicContact CD2-CB 4.34Å; L160-M168 HydrophobicContact CD1-CG 4.28Å; L160-M168 HydrophobicContact CD1-SD 3.28Å; L160-M168 WeakPolarHBondContact CD1-SD 3.29Å; E164-M168 PolarHBondContact O-N 2.97Å; Q165-M168 PolarHBondContact O-N 3.12Å; I166-M168 VanDerWaalsContact C-N 3.34Å; I166-M168 PolarHBondContact O-N 3.25Å; M168-Q171 PolarHBondContact O-N 3.39Å; M168-A172 PolarHBondContact O-N 2.94Å
169I62.5Low62.5Low71 Ų7184.7 Ų84.736%0.36444%0.439SS..Hα-helixtrans-62.6-46.4176.9-68165.1000110.1L157 Q165 I166 Q171 A172 M173L157-I169 HydrophobicContact CD2-CG1 4.4Å; Q165-I169 WeakPolarHBondContact O-CG1 3.46Å; Q165-I169 PolarHBondContact O-N 2.65Å; I166-I169 PolarHBondContact O-N 3.21Å; I169-Q171 PolarHBondContact O-N 3.27Å; I169-A172 PolarHBondContact O-N 3.29Å; I169-M173 HydrophobicContact CG2-CG 4.48Å; I169-M173 HydrophobicContact CG2-SD 3.93Å; I169-M173 VanDerWaalsContact O-CG 3.3Å; I169-M173 WeakPolarHBondContact O-CG 3.45Å; I169-M173 PolarHBondContact O-N 2.85Å
170I57.1Low60.7Low86 Ų8688.7 Ų88.744%0.44147%0.467SS..Hα-helixtrans-59.2-46.1176.9-67.3168.3000110.9I166 K167 A172 M173 D174I166-I170 HydrophobicContact CG2-CD1 3.83Å; I166-I170 HydrophobicContact CG2-CG1 4.49Å; I166-I170 WeakPolarHBondContact O-CG1 3.31Å; I166-I170 PolarHBondContact O-N 3.18Å; K167-I170 PolarHBondContact O-N 3.01Å; I170-A172 VanDerWaalsContact C-N 3.32Å; I170-A172 PolarHBondContact O-N 3.02Å; I170-M173 WeakPolarHBondContact O-CB 3.36Å; I170-M173 PolarHBondContact O-N 3.09Å; I170-D174 PolarHBondContact O-N 3.41Å
171Q62.8Low59.2Low113 Ų11395.7 Ų95.753%0.52852%0.517SS..Hα-helixtrans-61.9-37.8178.5-74.8178.3-25.900113.2K167 M168 I169 K175K167-Q171 WeakPolarHBondContact O-CG 3.09Å; K167-Q171 PolarHBondContact O-N 3.47Å; M168-Q171 PolarHBondContact O-N 3.39Å; I169-Q171 PolarHBondContact O-N 3.27Å; Q171-K175 WeakPolarHBondContact O-CB 3.44Å; Q171-K175 PolarHBondContact O-N 3.12Å; Q171-K175 VanDerWaalsContact O-N 3.12Å
172A64.1Low58.4Low30 Ų3097.4 Ų97.425%0.24852%0.522CS..Hα-helixtrans-65.5-44.6174.700000111.1M168 I169 I170 D174 K175 D176M168-A172 PolarHBondContact O-N 2.94Å; I169-A172 PolarHBondContact O-N 3.29Å; I170-A172 VanDerWaalsContact C-N 3.32Å; I170-A172 PolarHBondContact O-N 3.02Å; A172-D174 PolarHBondContact O-N 3.46Å; A172-K175 PolarHBondContact O-N 3.26Å; A172-D176 PolarHBondContact O-N 3.43Å
173M56.2Low57.9Low123 Ų12395.2 Ų95.261%0.60652%0.518SS*.Hα-helixtrans-61.4-43176.7-68172.36700112.4I169 I170 K175 D176 S177I169-M173 HydrophobicContact CG2-CG 4.48Å; I169-M173 HydrophobicContact CG2-SD 3.93Å; I169-M173 VanDerWaalsContact O-CG 3.3Å; I169-M173 WeakPolarHBondContact O-CG 3.45Å; I169-M173 PolarHBondContact O-N 2.85Å; I170-M173 WeakPolarHBondContact O-CB 3.36Å; I170-M173 PolarHBondContact O-N 3.09Å; M173-K175 VanDerWaalsContact C-N 3.34Å; M173-K175 PolarHBondContact O-N 3Å; M173-D176 PolarHBondContact O-N 3.43Å; M173-S177 WeakPolarHBondContact O-CB 3.49Å; M173-S177 PolarHBondContact O-N 3.05Å
174D59.8Low57.7Low101 Ų10194.1 Ų94.154%0.5451%0.512SS..Hα-helixtrans-62.6-41.9177.4-74.3-21.7000111.3I170 A172 S177 T178I170-D174 PolarHBondContact O-N 3.41Å; A172-D174 PolarHBondContact O-N 3.46Å; D174-S177 WeakPolarHBondContact O-CB 3.36Å; D174-S177 PolarHBondContact O-N 3.43Å; D174-T178 PolarHBondContact O-N 3.31Å; D174-T178 VanDerWaalsContact O-N 3.09Å; D174-T178 PolarHBondContact O-OG1 3.16Å
175K64.4Low56.8Low131 Ų13195.2 Ų95.257%0.5752%0.522SS*.Hα-helixtrans-65.1-43.9177.6-170175.9-178.5179.70111.8Q171 A172 M173 S177 T178 N179Q171-K175 WeakPolarHBondContact O-CB 3.44Å; Q171-K175 PolarHBondContact O-N 3.12Å; Q171-K175 VanDerWaalsContact O-N 3.12Å; A172-K175 PolarHBondContact O-N 3.26Å; M173-K175 VanDerWaalsContact C-N 3.34Å; M173-K175 PolarHBondContact O-N 3Å; K175-S177 VanDerWaalsContact C-N 3.32Å; K175-S177 PolarHBondContact O-N 3.48Å; K175-T178 WeakPolarHBondContact CA-OG1 3.31Å; K175-T178 PolarHBondContact O-N 3.48Å; K175-T178 PolarHBondContact O-OG1 3.27Å; K175-N179 PolarHBondContact O-N 2.92Å; K175-N179 VanDerWaalsContact O-N 3.08Å; K175-N179 PolarHBondContact O-ND2 3.3Å
176D53.5Low56.2Low101 Ų10199.3 Ų99.354%0.5455%0.546SS..Hα-helixtrans-65-37.4178.2-72.7-15000111.8A172 M173 N179 C180A172-D176 PolarHBondContact O-N 3.43Å; M173-D176 PolarHBondContact O-N 3.43Å; D176-N179 PolarHBondContact O-N 3.36Å; D176-C180 PolarHBondContact O-N 3.2Å; D176-C180 VanDerWaalsContact O-N 3.14Å; D176-C180 PolarHBondContact O-SG 3.31Å
177S46.3Very low56Low77 Ų7799.1 Ų99.154%0.53855%0.547SS..Hα-helixtrans-59.6-45.3173.2-175.20000111.8M173 D174 K175 N179 C180 S181M173-S177 WeakPolarHBondContact O-CB 3.49Å; M173-S177 PolarHBondContact O-N 3.05Å; D174-S177 WeakPolarHBondContact O-CB 3.36Å; D174-S177 PolarHBondContact O-N 3.43Å; K175-S177 VanDerWaalsContact C-N 3.32Å; K175-S177 PolarHBondContact O-N 3.48Å; S177-N179 PolarHBondContact O-N 3.25Å; S177-C180 PolarHBondContact O-N 3.13Å; S177-S181 PolarHBondContact O-OG 2.59Å
178T52.2Low55.1Low92 Ų9296.7 Ų96.756%0.56455%0.545SS*.Hα-helixtrans-67.1-32.117853.20000113.9D174 K175D174-T178 PolarHBondContact O-N 3.31Å; D174-T178 VanDerWaalsContact O-N 3.09Å; D174-T178 PolarHBondContact O-OG1 3.16Å; K175-T178 WeakPolarHBondContact CA-OG1 3.31Å; K175-T178 PolarHBondContact O-N 3.48Å; K175-T178 PolarHBondContact O-OG1 3.27Å
179N49.6Very low54.2Low114 Ų114100.7 Ų100.761%0.6157%0.57SS**Hα-helixtrans-79.7-18.5179.1-71.2-25.5000113.5K175 D176 S177K175-N179 PolarHBondContact O-N 2.92Å; K175-N179 VanDerWaalsContact O-N 3.08Å; K175-N179 PolarHBondContact O-ND2 3.3Å; D176-N179 PolarHBondContact O-N 3.36Å; S177-N179 PolarHBondContact O-N 3.25Å
180C36.8Very low53.5Low116 Ų116103.2 Ų103.278%0.78459%0.587SS**THydrogen-bonded Turntrans-91.4-1.3176.7-65.20000113.6D176 S177D176-C180 PolarHBondContact O-N 3.2Å; D176-C180 VanDerWaalsContact O-N 3.14Å; D176-C180 PolarHBondContact O-SG 3.31Å; S177-C180 PolarHBondContact O-N 3.13Å
181S38.7Very low53.1Low154 Ų154104.7 Ų104.7100%1.07760%0.6SS**  trans-88.20176.1-52.20000110.9S177S177-S181 PolarHBondContact O-OG 2.59Å

Retrieved 181 of 181 residues in 233.1 ms (Link to these results)

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