A0A5K4F7N6_SCHMA Loading...

Immunoglobulin-binding protein 1 AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F7N6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 332 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
1M49.1Very low86.2Confident203 Ų20379.5 Ų79.5100%141%0.409SS*.  0113.20-73.4167.8-17200106D3M1-D3 PolarHBondContact O-N 2.74Å; M1-D3 VanDerWaalsContact O-N 3.08Å
2N61.4Low87.2Confident172 Ų17272.9 Ų72.992%0.9238%0.375SS*.  trans-80.836179.5-80.70.1000111.4R4N2-R4 PolarHBondContact O-N 2.77Å
3D82.1Confident87.8Confident64 Ų6471.8 Ų71.834%0.34237%0.37SS..  trans-71.8134.3-176.7-66.4-4.2000108.3M1 V8 M48M1-D3 PolarHBondContact O-N 2.74Å; M1-D3 VanDerWaalsContact O-N 3.08Å; D3-V8 HydrophobicContact CB-CG2 3.64Å; D3-M48 WeakPolarHBondContact O-CE 3.44Å
4R92.2Very high88.4Confident169 Ų16976.1 Ų76.164%0.63838%0.384SS*.  trans-76.3148.6179.1-58.7175.5-71.5-174.5-3.7109.2N2 P6 D7 V8N2-R4 PolarHBondContact O-N 2.77Å; R4-P6 VanDerWaalsContact C-CD 3.45Å; R4-P6 VanDerWaalsContact C-N 3.32Å; R4-D7 WeakPolarHBondContact CB-OD2 3.38Å; R4-D7 IonicContact CZ-OD2 3.61Å; R4-D7 IonicContact NE-OD2 2.67Å; R4-D7 PolarHBondContact NE-OD2 3.23Å; R4-D7 IonicContact NH2-OD1 3.5Å; R4-D7 IonicContact NH2-OD2 2.78Å; R4-D7 PolarHBondContact NH2-OD2 2.96Å; R4-D7 WeakPolarHBondContact O-CA 3.4Å; R4-D7 WeakPolarHBondContact O-CB 3.27Å; R4-D7 PolarHBondContact O-N 2.9Å; R4-V8 PolarHBondContact O-N 3.43Å
5L93.4Very high88.9Confident7 Ų774 Ų744%0.03737%0.372CS..Hα-helixtrans-53.2-41.1-179.2176.763.7000113.5D7 V8 F9 A45 M48 V49 L52 L54 Y71L5-D7 VanDerWaalsContact C-N 3.31Å; L5-D7 PolarHBondContact O-N 3.35Å; L5-V8 PolarHBondContact O-N 2.86Å; L5-F9 WeakPolarHBondContact O-CB 3.38Å; L5-F9 PolarHBondContact O-N 3.27Å; L5-A45 HydrophobicContact CD1-CB 3.96Å; L5-M48 HydrophobicContact CB-CE 4.01Å; L5-M48 HydrophobicContact CB-SD 4.38Å; L5-M48 HydrophobicContact CD1-CB 4.14Å; L5-M48 HydrophobicContact CD1-SD 4.41Å; L5-V49 HydrophobicContact CD1-CG2 4.12Å; L5-V49 HydrophobicContact CD2-CG2 3.79Å; L5-L52 HydrophobicContact CD2-CD1 3.96Å; L5-L54 HydrophobicContact CD2-CD1 3.75Å; L5-Y71 HydrophobicContact CD1-CD1 4.43Å; L5-Y71 HydrophobicContact CD1-CE1 4.19Å; L5-Y71 HydrophobicContact CD2-CD1 4.29Å; L5-Y71 HydrophobicContact CD2-CD2 3.89Å; L5-Y71 HydrophobicContact CD2-CE1 4Å; L5-Y71 HydrophobicContact CD2-CE2 3.58Å; L5-Y71 HydrophobicContact CD2-CG 4.24Å; L5-Y71 HydrophobicContact CG-CD1 4.28Å; L5-Y71 HydrophobicContact CG-CE1 3.71Å; L5-Y71 HydrophobicContact CG-CE2 4.12Å
6P93.4Very high89.4Confident56 Ų5672.3 Ų72.336%0.36436%0.36SS..Hα-helixtrans-57.6-40.4172.1-26.135.5000114R4 F9 A10R4-P6 VanDerWaalsContact C-CD 3.45Å; R4-P6 VanDerWaalsContact C-N 3.32Å; P6-F9 PolarHBondContact O-N 3.14Å; P6-A10 PolarHBondContact O-N 3.08Å
7D94.6Very high89.8Confident64 Ų6471.1 Ų71.134%0.34236%0.36SS..Hα-helixtrans-71-41.6-177.5-59-35.5000110.2R4 L5 A10 Q11R4-D7 WeakPolarHBondContact CB-OD2 3.38Å; R4-D7 IonicContact CZ-OD2 3.61Å; R4-D7 IonicContact NE-OD2 2.67Å; R4-D7 PolarHBondContact NE-OD2 3.23Å; R4-D7 IonicContact NH2-OD1 3.5Å; R4-D7 IonicContact NH2-OD2 2.78Å; R4-D7 PolarHBondContact NH2-OD2 2.96Å; R4-D7 WeakPolarHBondContact O-CA 3.4Å; R4-D7 WeakPolarHBondContact O-CB 3.27Å; R4-D7 PolarHBondContact O-N 2.9Å; L5-D7 VanDerWaalsContact C-N 3.31Å; L5-D7 PolarHBondContact O-N 3.35Å; D7-A10 PolarHBondContact O-N 3.32Å; D7-Q11 WeakPolarHBondContact O-CG 3.21Å; D7-Q11 PolarHBondContact O-N 3.18Å; D7-Q11 VanDerWaalsContact O-N 3.1Å
8V95.9Very high90.1Very high0 Ų070.6 Ų70.60%036%0.356CS..Hα-helixtrans-63.4-43.4173.9-178.40000110.7D3 R4 L5 A10 Q11 I12 L41 A45 M48D3-V8 HydrophobicContact CB-CG2 3.64Å; R4-V8 PolarHBondContact O-N 3.43Å; L5-V8 PolarHBondContact O-N 2.86Å; V8-A10 PolarHBondContact O-N 3.45Å; V8-Q11 WeakPolarHBondContact O-CB 3.31Å; V8-Q11 PolarHBondContact O-N 2.83Å; V8-I12 HydrophobicContact CG1-CD1 4.26Å; V8-I12 WeakPolarHBondContact O-CG1 3.24Å; V8-I12 PolarHBondContact O-N 2.87Å; V8-L41 HydrophobicContact CG1-CB 4.5Å; V8-L41 HydrophobicContact CG1-CD2 4.2Å; V8-A45 HydrophobicContact CG1-CB 3.99Å; V8-M48 HydrophobicContact CG2-SD 4.13Å
9F95.6Very high90.3Very high4 Ų467.1 Ų67.12%0.01834%0.339CS..Hα-helixtrans-64-40.4178.3-172-101000112.6L5 P6 Q11 I12 L13 R70 Y71 L74 L77L5-F9 WeakPolarHBondContact O-CB 3.38Å; L5-F9 PolarHBondContact O-N 3.27Å; P6-F9 PolarHBondContact O-N 3.14Å; F9-Q11 VanDerWaalsContact C-N 3.3Å; F9-Q11 PolarHBondContact O-N 2.84Å; F9-I12 WeakPolarHBondContact O-CB 3.33Å; F9-I12 PolarHBondContact O-N 2.72Å; F9-I12 VanDerWaalsContact O-N 3.16Å; F9-L13 HydrophobicContact CD1-CD1 4.04Å; F9-L13 HydrophobicContact CD1-CG 4.29Å; F9-L13 HydrophobicContact CE1-CD1 3.62Å; F9-L13 HydrophobicContact CE1-CD2 4.34Å; F9-L13 HydrophobicContact CE1-CG 3.98Å; F9-L13 HydrophobicContact CZ-CD1 4.36Å; F9-L13 HydrophobicContact CZ-CD2 4.27Å; F9-L13 HydrophobicContact CZ-CG 4.36Å; F9-L13 PolarHBondContact O-N 3.32Å; F9-R70 HydrophobicContact CD1-CG 4.08Å; F9-R70 HydrophobicContact CE1-CB 3.95Å; F9-R70 HydrophobicContact CE1-CG 3.63Å; F9-R70 HydrophobicContact CE2-CG 4.48Å; F9-R70 WeakPolarHBondContact CE2-O 3.06Å; F9-R70 HydrophobicContact CZ-CB 3.94Å; F9-R70 HydrophobicContact CZ-CG 3.86Å; F9-R70 WeakPolarHBondContact CZ-O 3.43Å; F9-Y71 HydrophobicContact CB-CD1 4.38Å; F9-Y71 HydrophobicContact CB-CE1 3.78Å; F9-Y71 HydrophobicContact CD1-CE1 4.35Å; F9-Y71 AromaticContact CD2-CD1 3.78Å; F9-Y71 HydrophobicContact CD2-CD1 3.78Å; F9-Y71 HydrophobicContact CD2-CE1 4.02Å; F9-Y71 HydrophobicContact CE2-CD1 4.2Å; F9-Y71 HydrophobicContact CG-CD1 4.05Å; F9-Y71 AromaticContact CG-CE1 3.8Å; F9-Y71 HydrophobicContact CG-CE1 3.8Å; F9-L74 HydrophobicContact CD2-CD2 3.87Å; F9-L74 HydrophobicContact CD2-CG 4.39Å; F9-L74 HydrophobicContact CE2-CD2 4.1Å; F9-L74 HydrophobicContact CE2-CG 4.36Å; F9-L77 HydrophobicContact CE2-CD1 4.06Å
10A94.5Very high90.5Very high57 Ų5765.9 Ų65.947%0.47134%0.339SS..Hα-helixtrans-61-39.7173.400000111.8P6 D7 V8 L13 K14P6-A10 PolarHBondContact O-N 3.08Å; D7-A10 PolarHBondContact O-N 3.32Å; V8-A10 PolarHBondContact O-N 3.45Å; A10-L13 PolarHBondContact O-N 3.14Å; A10-K14 PolarHBondContact O-N 2.93Å
11Q96.4Very high90.6Very high79 Ų7968.7 Ų68.737%0.36936%0.355SS..Hα-helixtrans-63.3-41.2173.4-68.8177.76200112D7 V8 F9 K14 K15 L41D7-Q11 WeakPolarHBondContact O-CG 3.21Å; D7-Q11 PolarHBondContact O-N 3.18Å; D7-Q11 VanDerWaalsContact O-N 3.1Å; V8-Q11 WeakPolarHBondContact O-CB 3.31Å; V8-Q11 PolarHBondContact O-N 2.83Å; F9-Q11 VanDerWaalsContact C-N 3.3Å; F9-Q11 PolarHBondContact O-N 2.84Å; Q11-K14 PolarHBondContact O-N 3.13Å; Q11-K15 VanDerWaalsContact O-CG 3.28Å; Q11-K15 WeakPolarHBondContact O-CG 3.41Å; Q11-K15 PolarHBondContact O-N 3.38Å; Q11-L41 HydrophobicContact CB-CD1 4.04Å
12I97.4Very high92.7Very high0 Ų061.2 Ų61.20%032%0.316CS..Hα-helixtrans-59.6-47.2175.7-67.8166.1000110.8V8 F9 K14 K15 Y16 L41 C42 A45 L74 L77 F81V8-I12 HydrophobicContact CG1-CD1 4.26Å; V8-I12 WeakPolarHBondContact O-CG1 3.24Å; V8-I12 PolarHBondContact O-N 2.87Å; F9-I12 WeakPolarHBondContact O-CB 3.33Å; F9-I12 PolarHBondContact O-N 2.72Å; F9-I12 VanDerWaalsContact O-N 3.16Å; I12-K14 VanDerWaalsContact C-N 3.32Å; I12-K14 PolarHBondContact O-N 3.47Å; I12-K15 CarbonylContact O-C 3.59Å; I12-K15 WeakPolarHBondContact O-CB 3.5Å; I12-K15 PolarHBondContact O-N 3.39Å; I12-K15 VanDerWaalsContact O-N 3.13Å; I12-Y16 PolarHBondContact O-N 3.07Å; I12-L41 HydrophobicContact CD1-CB 4.37Å; I12-L41 HydrophobicContact CG1-CB 3.67Å; I12-C42 HydrophobicContact CD1-CB 4.49Å; I12-A45 HydrophobicContact CD1-CB 3.66Å; I12-L74 HydrophobicContact CD1-CD2 3.74Å; I12-L77 HydrophobicContact CG2-CB 4.35Å; I12-L77 HydrophobicContact CG2-CD1 3.87Å; I12-L77 HydrophobicContact CG2-CD2 4.1Å; I12-L77 HydrophobicContact CG2-CG 4.35Å; I12-F81 HydrophobicContact CG2-CE2 4Å; I12-F81 HydrophobicContact CG2-CZ 4.36Å
13L95.3Very high94Very high59 Ų5962.9 Ų62.931%0.30932%0.315SS..Hα-helixtrans-62.8-39.3178.7-68.1-177.4000112.2F9 A10 K15 Y16 S17 L77F9-L13 HydrophobicContact CD1-CD1 4.04Å; F9-L13 HydrophobicContact CD1-CG 4.29Å; F9-L13 HydrophobicContact CE1-CD1 3.62Å; F9-L13 HydrophobicContact CE1-CD2 4.34Å; F9-L13 HydrophobicContact CE1-CG 3.98Å; F9-L13 HydrophobicContact CZ-CD1 4.36Å; F9-L13 HydrophobicContact CZ-CD2 4.27Å; F9-L13 HydrophobicContact CZ-CG 4.36Å; F9-L13 PolarHBondContact O-N 3.32Å; A10-L13 PolarHBondContact O-N 3.14Å; L13-K15 VanDerWaalsContact C-N 3.34Å; L13-Y16 WeakPolarHBondContact O-CB 3.32Å; L13-Y16 PolarHBondContact O-N 3.07Å; L13-S17 PolarHBondContact O-N 3.15Å; L13-S17 PolarHBondContact O-OG 3.42Å; L13-L77 HydrophobicContact CD2-CD1 4.44Å
14K96.1Very high94.4Very high132 Ų13261.3 Ų61.357%0.57431%0.314SS*.Hα-helixtrans-62.1-42.3173-176.3179.5176.7179.40111.6A10 Q11 I12 Y16 S17 E18A10-K14 PolarHBondContact O-N 2.93Å; Q11-K14 PolarHBondContact O-N 3.13Å; I12-K14 VanDerWaalsContact C-N 3.32Å; I12-K14 PolarHBondContact O-N 3.47Å; K14-Y16 VanDerWaalsContact C-N 3.33Å; K14-Y16 PolarHBondContact O-N 2.92Å; K14-S17 PolarHBondContact O-N 3.35Å; K14-S17 PolarHBondContact O-OG 3.19Å; K14-E18 VanDerWaalsContact CE-OE1 3.32Å; K14-E18 WeakPolarHBondContact CE-OE1 3.1Å; K14-E18 WeakPolarHBondContact O-CG 3.47Å; K14-E18 PolarHBondContact O-N 3.02Å
15K96.6Very high94.2Very high44 Ų4455.7 Ų55.719%0.19130%0.301CS..Hα-helixtrans-65-37.5175.6-68-70.8160.9-155.90112Q11 I12 L13 E18 V19 L34 A38 L41Q11-K15 VanDerWaalsContact O-CG 3.28Å; Q11-K15 WeakPolarHBondContact O-CG 3.41Å; Q11-K15 PolarHBondContact O-N 3.38Å; I12-K15 CarbonylContact O-C 3.59Å; I12-K15 WeakPolarHBondContact O-CB 3.5Å; I12-K15 PolarHBondContact O-N 3.39Å; I12-K15 VanDerWaalsContact O-N 3.13Å; L13-K15 VanDerWaalsContact C-N 3.34Å; K15-E18 IonicContact NZ-OE1 2.65Å; K15-E18 IonicContact NZ-OE2 3.09Å; K15-E18 PolarHBondContact NZ-OE2 2.65Å; K15-E18 PolarHBondContact O-N 2.92Å; K15-V19 VanDerWaalsContact O-CG2 3.3Å; K15-V19 WeakPolarHBondContact O-CG2 3.19Å; K15-V19 PolarHBondContact O-N 3.39Å; K15-L34 HydrophobicContact CD-CD1 3.49Å; K15-L34 VanDerWaalsContact CD-CD1 3.49Å; K15-A38 HydrophobicContact CB-CB 3.98Å; K15-L41 HydrophobicContact CG-CD1 3.99Å
16Y96.7Very high93.9Very high47 Ų4760.7 Ų60.718%0.18432%0.32CS..Hα-helixtrans-58.6-48.1171.8168.8-98.2000111.7I12 L13 K14 E18 V19 A20 L77 Y80 W184I12-Y16 PolarHBondContact O-N 3.07Å; L13-Y16 WeakPolarHBondContact O-CB 3.32Å; L13-Y16 PolarHBondContact O-N 3.07Å; K14-Y16 VanDerWaalsContact C-N 3.33Å; K14-Y16 PolarHBondContact O-N 2.92Å; Y16-E18 VanDerWaalsContact C-N 3.35Å; Y16-E18 PolarHBondContact O-N 3.33Å; Y16-V19 PolarHBondContact O-N 2.75Å; Y16-A20 VanDerWaalsContact O-CB 3.31Å; Y16-A20 WeakPolarHBondContact O-CB 3.26Å; Y16-A20 PolarHBondContact O-N 2.91Å; Y16-L77 HydrophobicContact CD2-CD2 4.33Å; Y16-L77 HydrophobicContact CG-CD2 4.32Å; Y16-Y80 AromaticContact CD2-CD1 3.84Å; Y16-Y80 HydrophobicContact CD2-CD1 3.84Å; Y16-Y80 AromaticContact CD2-CE1 3.65Å; Y16-Y80 HydrophobicContact CD2-CE1 3.65Å; Y16-Y80 HydrophobicContact CE2-CD1 4.05Å; Y16-Y80 AromaticContact CE2-CE1 3.74Å; Y16-Y80 HydrophobicContact CE2-CE1 3.74Å; Y16-Y80 HydrophobicContact CE2-CE2 4.33Å; Y16-Y80 HydrophobicContact CE2-CG 4.47Å; Y16-Y80 AromaticContact CE2-CZ 3.89Å; Y16-W184 HydrophobicContact CD1-CZ2 4.5Å; Y16-W184 AromaticContact CD2-CH2 3.6Å; Y16-W184 HydrophobicContact CD2-CH2 3.6Å; Y16-W184 AromaticContact CD2-CZ2 3.83Å; Y16-W184 HydrophobicContact CD2-CZ2 3.83Å; Y16-W184 HydrophobicContact CE1-CZ2 4.43Å; Y16-W184 AromaticContact CE2-CH2 3.39Å; Y16-W184 HydrophobicContact CE2-CH2 3.39Å; Y16-W184 AromaticContact CE2-CZ2 3.73Å; Y16-W184 HydrophobicContact CE2-CZ2 3.73Å; Y16-W184 HydrophobicContact CE2-CZ3 4.46Å; Y16-W184 HydrophobicContact CG-CH2 4.42Å; Y16-W184 HydrophobicContact CG-CZ2 4.22Å
17S95.2Very high93.5Very high51 Ų5162.7 Ų62.736%0.35733%0.332SS..Hα-helixtrans-62.3-40.5175.751.90000112.7L13 K14 V19 A20 D21L13-S17 PolarHBondContact O-N 3.15Å; L13-S17 PolarHBondContact O-OG 3.42Å; K14-S17 PolarHBondContact O-N 3.35Å; K14-S17 PolarHBondContact O-OG 3.19Å; S17-V19 VanDerWaalsContact C-N 3.29Å; S17-V19 PolarHBondContact O-N 3.12Å; S17-A20 PolarHBondContact O-N 3.4Å; S17-D21 WeakPolarHBondContact O-CB 3.46Å; S17-D21 PolarHBondContact O-N 2.97Å
18E95.5Very high93.3Very high63 Ų6363.3 Ų63.329%0.29433%0.332SS..Hα-helixtrans-62.2-36177.1-73172.4-157.900112.4K14 K15 Y16 Y22 L34K14-E18 VanDerWaalsContact CE-OE1 3.32Å; K14-E18 WeakPolarHBondContact CE-OE1 3.1Å; K14-E18 WeakPolarHBondContact O-CG 3.47Å; K14-E18 PolarHBondContact O-N 3.02Å; K15-E18 IonicContact NZ-OE1 2.65Å; K15-E18 IonicContact NZ-OE2 3.09Å; K15-E18 PolarHBondContact NZ-OE2 2.65Å; K15-E18 PolarHBondContact O-N 2.92Å; Y16-E18 VanDerWaalsContact C-N 3.35Å; Y16-E18 PolarHBondContact O-N 3.33Å; E18-Y22 WeakPolarHBondContact O-CB 3.43Å; E18-Y22 PolarHBondContact O-N 3.06Å; E18-L34 HydrophobicContact CB-CD1 4.23Å; E18-L34 HydrophobicContact CB-CD2 4.14Å; E18-L34 WeakPolarHBondContact OE2-CD1 3.43Å
19V95.1Very high93.1Very high4 Ų467.8 Ų67.82%0.02436%0.362CS..Hα-helixtrans-76.5-44.4176.9172.30000111.3K15 Y16 S17 Y22 F31 L34 L35 Y80 F81 Q84K15-V19 VanDerWaalsContact O-CG2 3.3Å; K15-V19 WeakPolarHBondContact O-CG2 3.19Å; K15-V19 PolarHBondContact O-N 3.39Å; Y16-V19 PolarHBondContact O-N 2.75Å; S17-V19 VanDerWaalsContact C-N 3.29Å; S17-V19 PolarHBondContact O-N 3.12Å; V19-Y22 VanDerWaalsContact O-CB 3.28Å; V19-Y22 WeakPolarHBondContact O-CB 3.37Å; V19-Y22 PolarHBondContact O-N 2.96Å; V19-F31 HydrophobicContact CG1-CE2 4.14Å; V19-F31 HydrophobicContact CG1-CZ 4.17Å; V19-L34 HydrophobicContact CG2-CD2 3.63Å; V19-L34 HydrophobicContact CG2-CG 3.84Å; V19-L35 HydrophobicContact CG1-CD2 4.09Å; V19-L35 HydrophobicContact CG2-CD2 3.95Å; V19-Y80 HydrophobicContact CG1-CE1 3.88Å; V19-F81 HydrophobicContact CB-CE1 4.47Å; V19-F81 HydrophobicContact CG2-CD1 4.35Å; V19-F81 HydrophobicContact CG2-CE1 4.16Å; V19-Q84 HydrophobicContact CG1-CG 4.05Å
20A92.9Very high93Very high43 Ų4375.2 Ų75.236%0.35539%0.394SS..Hα-helixtrans-65.9-38.2-177.700000112.5Y16 S17 Y22Y16-A20 VanDerWaalsContact O-CB 3.31Å; Y16-A20 WeakPolarHBondContact O-CB 3.26Å; Y16-A20 PolarHBondContact O-N 2.91Å; S17-A20 PolarHBondContact O-N 3.4Å; A20-Y22 VanDerWaalsContact C-N 3.33Å
21D93.2Very high93Very high125 Ų12572.6 Ų72.667%0.66837%0.372SS*.THydrogen-bonded Turntrans-94.313.6179-64.7-37.5000112.9S17 K23S17-D21 WeakPolarHBondContact O-CB 3.46Å; S17-D21 PolarHBondContact O-N 2.97Å; D21-K23 PolarHBondContact O-N 2.91Å
22Y92.6Very high92.8Very high45 Ų4572.5 Ų72.518%0.17637%0.37CS..  trans-67.2121.1-178.3-169.3-105.3000111.3E18 V19 A20 G24 Y26 F31E18-Y22 WeakPolarHBondContact O-CB 3.43Å; E18-Y22 PolarHBondContact O-N 3.06Å; V19-Y22 VanDerWaalsContact O-CB 3.28Å; V19-Y22 WeakPolarHBondContact O-CB 3.37Å; V19-Y22 PolarHBondContact O-N 2.96Å; A20-Y22 VanDerWaalsContact C-N 3.33Å; Y22-G24 WeakPolarHBondContact CE1-O 3.3Å; Y22-Y26 HydrophobicContact CD1-CD1 4.44Å; Y22-Y26 HydrophobicContact CD1-CE1 4.23Å; Y22-Y26 PolarHBondContact O-OH 3.36Å; Y22-F31 AromaticContact CD1-CD2 3.4Å; Y22-F31 HydrophobicContact CD1-CD2 3.4Å; Y22-F31 AromaticContact CD1-CE2 3.76Å; Y22-F31 HydrophobicContact CD1-CE2 3.76Å; Y22-F31 HydrophobicContact CD1-CG 4.17Å; Y22-F31 AromaticContact CD2-CD2 3.97Å; Y22-F31 HydrophobicContact CD2-CD2 3.97Å; Y22-F31 HydrophobicContact CE1-CB 3.89Å; Y22-F31 AromaticContact CE1-CD2 3.52Å; Y22-F31 HydrophobicContact CE1-CD2 3.52Å; Y22-F31 HydrophobicContact CE1-CE2 4.32Å; Y22-F31 AromaticContact CE1-CG 3.89Å; Y22-F31 HydrophobicContact CE1-CG 3.89Å; Y22-F31 HydrophobicContact CE2-CD2 4.11Å; Y22-F31 AromaticContact CG-CD2 3.62Å; Y22-F31 HydrophobicContact CG-CD2 3.62Å; Y22-F31 AromaticContact CG-CE2 3.87Å; Y22-F31 HydrophobicContact CG-CE2 3.87Å; Y22-F31 AromaticContact CZ-CD2 3.91Å
23K90.3Very high92.7Very high207 Ų20776 Ų7690%0.939%0.389SS*.  trans-105.12.3-179.3-63.7-179.1-176.61770114.1D21D21-K23 PolarHBondContact O-N 2.91Å
24G88.8Confident92.7Very high32 Ų3274.2 Ų74.233%0.3338%0.379SS..SBendtrans-88.6-171.1-179.100000113.1Y22Y22-G24 WeakPolarHBondContact CE1-O 3.3Å
25S88.4Confident92.7Very high51 Ų5168.1 Ų68.136%0.35735%0.353SS..  trans-79.1127.7174.5178.20000111.8T27 E28S25-T27 PolarHBondContact O-N 2.78Å; S25-T27 VanDerWaalsContact O-N 3.1Å; S25-T27 PolarHBondContact OG-N 3.43Å; S25-T27 PolarHBondContact OG-OG1 3.07Å; S25-E28 WeakPolarHBondContact O-CB 3.39Å; S25-E28 PolarHBondContact O-N 3.38Å; S25-E28 VanDerWaalsContact O-N 3.1Å
26Y86.6Confident92.7Very high111 Ų11172.8 Ų72.844%0.43537%0.37SS..THydrogen-bonded Turntrans-67.9-5.6177.5-60.6-88.2000114.2Y22 F31 N86Y22-Y26 HydrophobicContact CD1-CD1 4.44Å; Y22-Y26 HydrophobicContact CD1-CE1 4.23Å; Y22-Y26 PolarHBondContact O-OH 3.36Å; Y26-F31 HydrophobicContact CD1-CD1 4.15Å; Y26-F31 AromaticContact CD1-CE1 3.58Å; Y26-F31 HydrophobicContact CD1-CE1 3.58Å; Y26-F31 HydrophobicContact CD1-CE2 4.02Å; Y26-F31 AromaticContact CD1-CZ 3.52Å; Y26-F31 HydrophobicContact CD1-CZ 3.52Å; Y26-F31 HydrophobicContact CE1-CE1 4.45Å; Y26-F31 HydrophobicContact CE1-CE2 4.21Å; Y26-F31 AromaticContact CE1-CZ 3.95Å; Y26-F31 HydrophobicContact CE1-CZ 3.95Å; Y26-F31 HydrophobicContact CG-CE1 4.41Å; Y26-N86 PolarHBondContact O-ND2 3.14Å; Y26-N86 VanDerWaalsContact O-ND2 3.09Å
27T86.7Confident92.7Very high99 Ų9973.8 Ų73.861%0.60738%0.377SS*.THydrogen-bonded Turntrans-97.7-10.6174.959.30000112.9S25S25-T27 PolarHBondContact O-N 2.78Å; S25-T27 VanDerWaalsContact O-N 3.1Å; S25-T27 PolarHBondContact OG-N 3.43Å; S25-T27 PolarHBondContact OG-OG1 3.07Å
28E90.2Very high92.7Very high76 Ų7671.4 Ų71.436%0.35536%0.361SS..SBendtrans-66.1143.7-178.8-83.7174.8-147.800112.2S25 K30 F31 K32S25-E28 WeakPolarHBondContact O-CB 3.39Å; S25-E28 PolarHBondContact O-N 3.38Å; S25-E28 VanDerWaalsContact O-N 3.1Å; E28-K30 PolarHBondContact O-N 3.11Å; E28-K30 VanDerWaalsContact O-N 3.14Å; E28-F31 PolarHBondContact O-N 2.82Å; E28-K32 PolarHBondContact O-N 2.9Å
29P91.6Very high92.8Very high95 Ų9568.6 Ų68.662%0.61735%0.348SS*.Hα-helixtrans-54-35.4175.4-25.933.7000113.1F31 K32 D33P29-F31 VanDerWaalsContact C-N 3.35Å; P29-F31 PolarHBondContact O-N 3.16Å; P29-K32 PolarHBondContact O-N 3.43Å; P29-D33 WeakPolarHBondContact O-CB 3.45Å; P29-D33 PolarHBondContact O-N 3.4Å
30K92.3Very high92.9Very high160 Ų16073.9 Ų73.970%0.69637%0.372SS*.Hα-helixtrans-59.6-42.5178.2-67.5-178.1-179.6176.10112.6E28 L34E28-K30 PolarHBondContact O-N 3.11Å; E28-K30 VanDerWaalsContact O-N 3.14Å; K30-L34 WeakPolarHBondContact O-CB 3.46Å; K30-L34 PolarHBondContact O-N 3.08Å
31F94.3Very high93.1Very high1 Ų172.8 Ų72.80%0.00436%0.361CS..Hα-helixtrans-70.5-40.2178.1-175-105.2000111.1V19 Y22 Y26 E28 P29 D33 L34 L35 Q84V19-F31 HydrophobicContact CG1-CE2 4.14Å; V19-F31 HydrophobicContact CG1-CZ 4.17Å; Y22-F31 AromaticContact CD1-CD2 3.4Å; Y22-F31 HydrophobicContact CD1-CD2 3.4Å; Y22-F31 AromaticContact CD1-CE2 3.76Å; Y22-F31 HydrophobicContact CD1-CE2 3.76Å; Y22-F31 HydrophobicContact CD1-CG 4.17Å; Y22-F31 AromaticContact CD2-CD2 3.97Å; Y22-F31 HydrophobicContact CD2-CD2 3.97Å; Y22-F31 HydrophobicContact CE1-CB 3.89Å; Y22-F31 AromaticContact CE1-CD2 3.52Å; Y22-F31 HydrophobicContact CE1-CD2 3.52Å; Y22-F31 HydrophobicContact CE1-CE2 4.32Å; Y22-F31 AromaticContact CE1-CG 3.89Å; Y22-F31 HydrophobicContact CE1-CG 3.89Å; Y22-F31 HydrophobicContact CE2-CD2 4.11Å; Y22-F31 AromaticContact CG-CD2 3.62Å; Y22-F31 HydrophobicContact CG-CD2 3.62Å; Y22-F31 AromaticContact CG-CE2 3.87Å; Y22-F31 HydrophobicContact CG-CE2 3.87Å; Y22-F31 AromaticContact CZ-CD2 3.91Å; Y26-F31 HydrophobicContact CD1-CD1 4.15Å; Y26-F31 AromaticContact CD1-CE1 3.58Å; Y26-F31 HydrophobicContact CD1-CE1 3.58Å; Y26-F31 HydrophobicContact CD1-CE2 4.02Å; Y26-F31 AromaticContact CD1-CZ 3.52Å; Y26-F31 HydrophobicContact CD1-CZ 3.52Å; Y26-F31 HydrophobicContact CE1-CE1 4.45Å; Y26-F31 HydrophobicContact CE1-CE2 4.21Å; Y26-F31 AromaticContact CE1-CZ 3.95Å; Y26-F31 HydrophobicContact CE1-CZ 3.95Å; Y26-F31 HydrophobicContact CG-CE1 4.41Å; E28-F31 PolarHBondContact O-N 2.82Å; P29-F31 VanDerWaalsContact C-N 3.35Å; P29-F31 PolarHBondContact O-N 3.16Å; F31-D33 VanDerWaalsContact C-N 3.34Å; F31-D33 PolarHBondContact O-N 2.86Å; F31-L34 HydrophobicContact CD2-CD2 4.4Å; F31-L34 WeakPolarHBondContact O-CB 3.33Å; F31-L34 PolarHBondContact O-N 3.48Å; F31-L35 HydrophobicContact CD1-CD1 3.98Å; F31-L35 HydrophobicContact CD1-CG 4.36Å; F31-L35 HydrophobicContact CE1-CD1 3.44Å; F31-L35 VanDerWaalsContact CE1-CD1 3.44Å; F31-L35 HydrophobicContact CE1-CD2 4.47Å; F31-L35 HydrophobicContact CE1-CG 3.95Å; F31-L35 HydrophobicContact CZ-CD1 3.99Å; F31-L35 HydrophobicContact CZ-CD2 4.19Å; F31-L35 HydrophobicContact CZ-CG 4.1Å; F31-L35 PolarHBondContact O-N 3.02Å; F31-Q84 HydrophobicContact CZ-CB 4.31Å
32K94Very high93.3Very high78 Ų7866.9 Ų66.934%0.33933%0.329SS..Hα-helixtrans-60.8-43.1174.4-63.4-174.3176.4-156.40112E28 P29 L35 R36 D87E28-K32 PolarHBondContact O-N 2.9Å; P29-K32 PolarHBondContact O-N 3.43Å; K32-L35 PolarHBondContact O-N 3.1Å; K32-R36 WeakPolarHBondContact O-CB 3.39Å; K32-R36 PolarHBondContact O-N 3.26Å; K32-D87 WeakPolarHBondContact CD-OD2 3.25Å; K32-D87 WeakPolarHBondContact CE-OD2 3.48Å; K32-D87 IonicContact NZ-OD1 3.83Å; K32-D87 PolarHBondContact NZ-OD1 3.44Å; K32-D87 IonicContact NZ-OD2 2.72Å; K32-D87 PolarHBondContact NZ-OD2 3.4Å
33D94.5Very high93.5Very high74 Ų7469 Ų6940%0.39634%0.34SS..Hα-helixtrans-64.8-39.8175.1-86.6-41.5000112.3P29 F31 R36 I37P29-D33 WeakPolarHBondContact O-CB 3.45Å; P29-D33 PolarHBondContact O-N 3.4Å; F31-D33 VanDerWaalsContact C-N 3.34Å; F31-D33 PolarHBondContact O-N 2.86Å; D33-R36 PolarHBondContact O-N 3.21Å; D33-R36 IonicContact OD1-CZ 3.07Å; D33-R36 IonicContact OD1-NE 3.29Å; D33-R36 PolarHBondContact OD1-NE 2.9Å; D33-R36 IonicContact OD1-NH2 3.85Å; D33-R36 PolarHBondContact OD1-NH2 2.95Å; D33-I37 WeakPolarHBondContact O-CB 3.45Å; D33-I37 VanDerWaalsContact O-CG1 3.26Å; D33-I37 WeakPolarHBondContact O-CG1 3.45Å; D33-I37 PolarHBondContact O-N 3.4Å
34L95.7Very high93.8Very high20 Ų2061.8 Ų61.811%0.10531%0.311CS..Hα-helixtrans-58.2-48.3174.2179.465000111.3K15 E18 V19 K30 F31 I37 A38K15-L34 HydrophobicContact CD-CD1 3.49Å; K15-L34 VanDerWaalsContact CD-CD1 3.49Å; E18-L34 HydrophobicContact CB-CD1 4.23Å; E18-L34 HydrophobicContact CB-CD2 4.14Å; E18-L34 WeakPolarHBondContact OE2-CD1 3.43Å; V19-L34 HydrophobicContact CG2-CD2 3.63Å; V19-L34 HydrophobicContact CG2-CG 3.84Å; K30-L34 WeakPolarHBondContact O-CB 3.46Å; K30-L34 PolarHBondContact O-N 3.08Å; F31-L34 HydrophobicContact CD2-CD2 4.4Å; F31-L34 WeakPolarHBondContact O-CB 3.33Å; F31-L34 PolarHBondContact O-N 3.48Å; L34-I37 PolarHBondContact O-N 3.47Å; L34-A38 WeakPolarHBondContact O-CB 3.3Å; L34-A38 PolarHBondContact O-N 3.37Å
35L95.8Very high94.1Very high5 Ų560.2 Ų60.23%0.02630%0.296CS..Hα-helixtrans-64.3-41.6176.6-69.9-179.8000112.4V19 F31 K32 I37 A38 C39 F81 Q84 K85V19-L35 HydrophobicContact CG1-CD2 4.09Å; V19-L35 HydrophobicContact CG2-CD2 3.95Å; F31-L35 HydrophobicContact CD1-CD1 3.98Å; F31-L35 HydrophobicContact CD1-CG 4.36Å; F31-L35 HydrophobicContact CE1-CD1 3.44Å; F31-L35 VanDerWaalsContact CE1-CD1 3.44Å; F31-L35 HydrophobicContact CE1-CD2 4.47Å; F31-L35 HydrophobicContact CE1-CG 3.95Å; F31-L35 HydrophobicContact CZ-CD1 3.99Å; F31-L35 HydrophobicContact CZ-CD2 4.19Å; F31-L35 HydrophobicContact CZ-CG 4.1Å; F31-L35 PolarHBondContact O-N 3.02Å; K32-L35 PolarHBondContact O-N 3.1Å; L35-I37 PolarHBondContact O-N 3.43Å; L35-A38 PolarHBondContact O-N 2.88Å; L35-C39 PolarHBondContact O-N 3.25Å; L35-C39 PolarHBondContact O-SG 2.88Å; L35-C39 VanDerWaalsContact O-SG 3.35Å; L35-F81 HydrophobicContact CD2-CB 4.5Å; L35-F81 HydrophobicContact CD2-CD1 4.26Å; L35-Q84 HydrophobicContact CD1-CB 3.9Å; L35-Q84 HydrophobicContact CD2-CB 3.79Å; L35-Q84 HydrophobicContact CD2-CG 4.49Å; L35-K85 HydrophobicContact CD1-CG 3.95Å
36R95.4Very high94.5Very high142 Ų14260.1 Ų60.154%0.53629%0.29SS..Hα-helixtrans-59.5-46.7177-176.9-178.260.675.31.3111.3K32 D33 Q40K32-R36 WeakPolarHBondContact O-CB 3.39Å; K32-R36 PolarHBondContact O-N 3.26Å; D33-R36 PolarHBondContact O-N 3.21Å; D33-R36 IonicContact OD1-CZ 3.07Å; D33-R36 IonicContact OD1-NE 3.29Å; D33-R36 PolarHBondContact OD1-NE 2.9Å; D33-R36 IonicContact OD1-NH2 3.85Å; D33-R36 PolarHBondContact OD1-NH2 2.95Å; R36-Q40 WeakPolarHBondContact O-CB 3.32Å; R36-Q40 PolarHBondContact O-N 3.36Å
37I96.7Very high94.9Very high68 Ų6857.2 Ų57.235%0.34929%0.286SS..Hα-helixtrans-64.1-43.9176.9-66.8165000110.6D33 L34 L35 Q40 L41D33-I37 WeakPolarHBondContact O-CB 3.45Å; D33-I37 VanDerWaalsContact O-CG1 3.26Å; D33-I37 WeakPolarHBondContact O-CG1 3.45Å; D33-I37 PolarHBondContact O-N 3.4Å; L34-I37 PolarHBondContact O-N 3.47Å; L35-I37 PolarHBondContact O-N 3.43Å; I37-Q40 PolarHBondContact O-N 2.94Å; I37-L41 HydrophobicContact CG2-CD1 4.07Å; I37-L41 HydrophobicContact CG2-CG 4.46Å; I37-L41 WeakPolarHBondContact O-CG 3.49Å; I37-L41 PolarHBondContact O-N 3.44Å
38A97.1Very high95.3Very high0 Ų054.1 Ų54.10%027%0.265CS..Hα-helixtrans-61.1-45.3178.700000112.3K15 L34 L35 L41 C42 F81K15-A38 HydrophobicContact CB-CB 3.98Å; L34-A38 WeakPolarHBondContact O-CB 3.3Å; L34-A38 PolarHBondContact O-N 3.37Å; L35-A38 PolarHBondContact O-N 2.88Å; A38-L41 PolarHBondContact O-N 3.4Å; A38-C42 PolarHBondContact O-N 3.03Å; A38-F81 HydrophobicContact CB-CD1 3.79Å; A38-F81 HydrophobicContact CB-CD2 3.87Å; A38-F81 HydrophobicContact CB-CE1 3.79Å; A38-F81 HydrophobicContact CB-CE2 3.89Å; A38-F81 HydrophobicContact CB-CG 3.84Å; A38-F81 HydrophobicContact CB-CZ 3.85Å
39C96.9Very high95.5Very high4 Ų450.9 Ų50.93%0.02725%0.251CS..Hα-helixtrans-60.7-45.7174.3-69.90000111.9L35 L41 C42 E43 L78 K85L35-C39 PolarHBondContact O-N 3.25Å; L35-C39 PolarHBondContact O-SG 2.88Å; L35-C39 VanDerWaalsContact O-SG 3.35Å; C39-L41 VanDerWaalsContact C-N 3.3Å; C39-L41 PolarHBondContact O-N 2.85Å; C39-C42 WeakPolarHBondContact O-CB 3.4Å; C39-C42 PolarHBondContact O-N 3.12Å; C39-C42 VanDerWaalsContact O-N 3.16Å; C39-E43 WeakPolarHBondContact O-CB 3.36Å; C39-E43 WeakPolarHBondContact O-CG 3.35Å; C39-E43 PolarHBondContact O-N 3.15Å; C39-L78 HydrophobicContact CB-CD1 3.97Å; C39-K85 WeakPolarHBondContact SG-CE 3.46Å; C39-K85 PolarHBondContact SG-NZ 3.43Å
40Q96.8Very high95.6Very high115 Ų11552 Ų5254%0.53725%0.251SS..Hα-helixtrans-60.7-39.8179-171.167.247.500112.1R36 I37 N44R36-Q40 WeakPolarHBondContact O-CB 3.32Å; R36-Q40 PolarHBondContact O-N 3.36Å; I37-Q40 PolarHBondContact O-N 2.94Å; Q40-N44 VanDerWaalsContact O-CB 3.3Å; Q40-N44 WeakPolarHBondContact O-CB 3.39Å; Q40-N44 PolarHBondContact O-N 3.44Å
41L97.2Very high95.7Very high21 Ų2151.1 Ų51.111%0.1125%0.25CC..Hα-helixtrans-65-43.7175.7-71.9169.4000111.3V8 Q11 I12 K15 I37 A38 C39 N44 A45V8-L41 HydrophobicContact CG1-CB 4.5Å; V8-L41 HydrophobicContact CG1-CD2 4.2Å; Q11-L41 HydrophobicContact CB-CD1 4.04Å; I12-L41 HydrophobicContact CD1-CB 4.37Å; I12-L41 HydrophobicContact CG1-CB 3.67Å; K15-L41 HydrophobicContact CG-CD1 3.99Å; I37-L41 HydrophobicContact CG2-CD1 4.07Å; I37-L41 HydrophobicContact CG2-CG 4.46Å; I37-L41 WeakPolarHBondContact O-CG 3.49Å; I37-L41 PolarHBondContact O-N 3.44Å; A38-L41 PolarHBondContact O-N 3.4Å; C39-L41 VanDerWaalsContact C-N 3.3Å; C39-L41 PolarHBondContact O-N 2.85Å; L41-N44 PolarHBondContact O-N 3.41Å; L41-A45 WeakPolarHBondContact O-CB 3.3Å; L41-A45 PolarHBondContact O-N 3Å
42C96.9Very high95.7Very high0 Ų056 Ų560%028%0.276CS..Hα-helixtrans-61.6-47175.1-830000112.5I12 A38 C39 N44 A45 M46 L78 F81I12-C42 HydrophobicContact CD1-CB 4.49Å; A38-C42 PolarHBondContact O-N 3.03Å; C39-C42 WeakPolarHBondContact O-CB 3.4Å; C39-C42 PolarHBondContact O-N 3.12Å; C39-C42 VanDerWaalsContact O-N 3.16Å; C42-N44 VanDerWaalsContact C-N 3.33Å; C42-N44 PolarHBondContact O-N 3.08Å; C42-A45 PolarHBondContact O-N 2.81Å; C42-M46 WeakPolarHBondContact O-CB 3.2Å; C42-M46 VanDerWaalsContact O-CG 3.32Å; C42-M46 WeakPolarHBondContact O-CG 3.23Å; C42-M46 PolarHBondContact O-N 3.34Å; C42-L78 HydrophobicContact CB-CB 3.95Å; C42-L78 HydrophobicContact CB-CD1 3.78Å; C42-L78 HydrophobicContact CB-CG 4.28Å; C42-F81 VanDerWaalsContact SG-CE2 3.57Å
43E96.6Very high95.5Very high89 Ų8962.1 Ų62.142%0.41630%0.296SS..Hα-helixtrans-61.3-42.5177.7-72.2167.3-166.700111.2C39 M46 S47 L78C39-E43 WeakPolarHBondContact O-CB 3.36Å; C39-E43 WeakPolarHBondContact O-CG 3.35Å; C39-E43 PolarHBondContact O-N 3.15Å; E43-M46 PolarHBondContact O-N 3.24Å; E43-S47 PolarHBondContact O-N 2.89Å; E43-L78 HydrophobicContact CG-CD1 4.41Å; E43-L78 HydrophobicContact CG-CD2 4.17Å
44N96.2Very high95.3Very high56 Ų5659.8 Ų59.830%0.29928%0.284SS..Hα-helixtrans-61.6-48.3173.8-174.132.6000111.4Q40 L41 C42 M46 S47 M48Q40-N44 VanDerWaalsContact O-CB 3.3Å; Q40-N44 WeakPolarHBondContact O-CB 3.39Å; Q40-N44 PolarHBondContact O-N 3.44Å; L41-N44 PolarHBondContact O-N 3.41Å; C42-N44 VanDerWaalsContact C-N 3.33Å; C42-N44 PolarHBondContact O-N 3.08Å; N44-M46 VanDerWaalsContact C-N 3.3Å; N44-M46 PolarHBondContact O-N 3.16Å; N44-S47 WeakPolarHBondContact O-CB 3.35Å; N44-S47 PolarHBondContact O-N 3.06Å; N44-S47 VanDerWaalsContact O-N 3.13Å; N44-M48 VanDerWaalsContact O-CG 3.32Å; N44-M48 WeakPolarHBondContact O-CG 3.2Å; N44-M48 PolarHBondContact O-N 3.29Å
45A96.5Very high95.2Very high0 Ų061 Ų610%029%0.288CS..Hα-helixtrans-60.1-40177.400000112.1L5 V8 I12 L41 C42 M48 V49 L74L5-A45 HydrophobicContact CD1-CB 3.96Å; V8-A45 HydrophobicContact CG1-CB 3.99Å; I12-A45 HydrophobicContact CD1-CB 3.66Å; L41-A45 WeakPolarHBondContact O-CB 3.3Å; L41-A45 PolarHBondContact O-N 3Å; C42-A45 PolarHBondContact O-N 2.81Å; A45-M48 PolarHBondContact O-N 3.37Å; A45-V49 VanDerWaalsContact O-CG2 3.26Å; A45-V49 WeakPolarHBondContact O-CG2 3.27Å; A45-V49 PolarHBondContact O-N 3.21Å; A45-L74 HydrophobicContact CB-CD1 4.02Å; A45-L74 HydrophobicContact CB-CD2 3.74Å
46M95.7Very high94.9Very high48 Ų4863.4 Ų63.424%0.23631%0.305CS..Hα-helixtrans-65-39.7174.7-71.5178.97100112C42 E43 N44 V49 N50 L74 P75 L78C42-M46 WeakPolarHBondContact O-CB 3.2Å; C42-M46 VanDerWaalsContact O-CG 3.32Å; C42-M46 WeakPolarHBondContact O-CG 3.23Å; C42-M46 PolarHBondContact O-N 3.34Å; E43-M46 PolarHBondContact O-N 3.24Å; N44-M46 VanDerWaalsContact C-N 3.3Å; N44-M46 PolarHBondContact O-N 3.16Å; M46-V49 PolarHBondContact O-N 2.86Å; M46-N50 VanDerWaalsContact O-CG 3.26Å; M46-N50 PolarHBondContact O-N 3.15Å; M46-N50 PolarHBondContact O-ND2 2.85Å; M46-L74 HydrophobicContact CG-CB 4.05Å; M46-L74 HydrophobicContact CG-CD1 4.42Å; M46-P75 HydrophobicContact CE-CG 4.28Å; M46-L78 HydrophobicContact SD-CD2 3.69Å
47S95.6Very high94.4Very high51 Ų5164.9 Ų64.936%0.35732%0.316SS..Hα-helixtrans-59.9-47.8172.7-165.10000111.2E43 N44 V49 N50 E51E43-S47 PolarHBondContact O-N 2.89Å; N44-S47 WeakPolarHBondContact O-CB 3.35Å; N44-S47 PolarHBondContact O-N 3.06Å; N44-S47 VanDerWaalsContact O-N 3.13Å; S47-V49 PolarHBondContact O-N 3.38Å; S47-N50 WeakPolarHBondContact O-CB 3.46Å; S47-N50 PolarHBondContact O-N 3.34Å; S47-N50 VanDerWaalsContact O-N 3.15Å; S47-E51 WeakPolarHBondContact O-CG 3.26Å; S47-E51 PolarHBondContact O-N 3.2Å; S47-E51 PolarHBondContact OG-OE1 3.33Å; S47-E51 VanDerWaalsContact OG-OE1 3.07Å
48M95.4Very high93.9Very high33 Ų3369.1 Ų69.116%0.16334%0.339CS..Hα-helixtrans-61-41.9178.1-66.1178.583.700112.2D3 L5 V8 N44 A45 N50 E51 L52D3-M48 WeakPolarHBondContact O-CE 3.44Å; L5-M48 HydrophobicContact CB-CE 4.01Å; L5-M48 HydrophobicContact CB-SD 4.38Å; L5-M48 HydrophobicContact CD1-CB 4.14Å; L5-M48 HydrophobicContact CD1-SD 4.41Å; V8-M48 HydrophobicContact CG2-SD 4.13Å; N44-M48 VanDerWaalsContact O-CG 3.32Å; N44-M48 WeakPolarHBondContact O-CG 3.2Å; N44-M48 PolarHBondContact O-N 3.29Å; A45-M48 PolarHBondContact O-N 3.37Å; M48-N50 VanDerWaalsContact C-N 3.32Å; M48-N50 PolarHBondContact O-N 3.16Å; M48-E51 PolarHBondContact O-N 2.94Å; M48-L52 VanDerWaalsContact O-CB 3.31Å; M48-L52 WeakPolarHBondContact O-CB 3.43Å; M48-L52 WeakPolarHBondContact O-CG 3.39Å; M48-L52 PolarHBondContact O-N 3.38Å
49V95.2Very high93.5Very high8 Ų872 Ų725%0.04835%0.353CS..Hα-helixtrans-61.1-41.4175.3166.40000111.3L5 A45 M46 S47 R53 L54 F55 Y71 L74L5-V49 HydrophobicContact CD1-CG2 4.12Å; L5-V49 HydrophobicContact CD2-CG2 3.79Å; A45-V49 VanDerWaalsContact O-CG2 3.26Å; A45-V49 WeakPolarHBondContact O-CG2 3.27Å; A45-V49 PolarHBondContact O-N 3.21Å; M46-V49 PolarHBondContact O-N 2.86Å; S47-V49 PolarHBondContact O-N 3.38Å; V49-R53 PolarHBondContact O-N 2.87Å; V49-L54 HydrophobicContact CG1-CB 4.3Å; V49-L54 HydrophobicContact CG1-CD1 4.49Å; V49-L54 HydrophobicContact CG2-CD1 4.13Å; V49-L54 PolarHBondContact O-N 3.26Å; V49-F55 HydrophobicContact CG1-CD2 3.56Å; V49-F55 HydrophobicContact CG1-CE2 3.59Å; V49-Y71 HydrophobicContact CG2-CG 4.4Å; V49-L74 HydrophobicContact CG2-CD1 3.66Å
50N93.5Very high93.3Very high118 Ų11874 Ų7463%0.63137%0.367SS*.Hα-helixtrans-69.1-38.7177.5-70.9-29.3000112.4M46 S47 M48 R53M46-N50 VanDerWaalsContact O-CG 3.26Å; M46-N50 PolarHBondContact O-N 3.15Å; M46-N50 PolarHBondContact O-ND2 2.85Å; S47-N50 WeakPolarHBondContact O-CB 3.46Å; S47-N50 PolarHBondContact O-N 3.34Å; S47-N50 VanDerWaalsContact O-N 3.15Å; M48-N50 VanDerWaalsContact C-N 3.32Å; M48-N50 PolarHBondContact O-N 3.16Å; N50-R53 WeakPolarHBondContact O-CG 3.32Å; N50-R53 PolarHBondContact O-N 3.35Å
51E94Very high93Very high142 Ų14269.8 Ų69.866%0.66435%0.348SS*.Hα-helixtrans-65.9-41.7175.7-74.9169.4-14800111.9S47 M48 R53S47-E51 WeakPolarHBondContact O-CG 3.26Å; S47-E51 PolarHBondContact O-N 3.2Å; S47-E51 PolarHBondContact OG-OE1 3.33Å; S47-E51 VanDerWaalsContact OG-OE1 3.07Å; M48-E51 PolarHBondContact O-N 2.94Å; E51-R53 PolarHBondContact O-N 2.93Å
52L93.1Very high92.7Very high105 Ų10575.1 Ų75.155%0.5538%0.376SS..Hα-helixtrans-74.4-13.2174.9-67.4171.8000112.9L5 M48 L54L5-L52 HydrophobicContact CD2-CD1 3.96Å; M48-L52 VanDerWaalsContact O-CB 3.31Å; M48-L52 WeakPolarHBondContact O-CB 3.43Å; M48-L52 WeakPolarHBondContact O-CG 3.39Å; M48-L52 PolarHBondContact O-N 3.38Å; L52-L54 VanDerWaalsContact C-N 3.26Å; L52-L54 HydrophobicContact CB-CD2 3.71Å; L52-L54 HydrophobicContact CB-CG 3.78Å; L52-L54 HydrophobicContact CD1-CD1 4.42Å; L52-L54 HydrophobicContact CD1-CD2 4.46Å; L52-L54 PolarHBondContact O-N 3.44Å
53R91.3Very high92.5Very high205 Ų20580 Ų8077%0.77440%0.403SS*.THydrogen-bonded Turntrans51.143.7-177.5-58.7-176.9179-175.10.1112.8V49 N50 E51 F55V49-R53 PolarHBondContact O-N 2.87Å; N50-R53 WeakPolarHBondContact O-CG 3.32Å; N50-R53 PolarHBondContact O-N 3.35Å; E51-R53 PolarHBondContact O-N 2.93Å; R53-F55 PolarHBondContact O-N 2.92Å
54L90.3Very high92.3Very high25 Ų2576.2 Ų76.213%0.13139%0.385CS..  trans-66.9-16.8-177.2-56.9-176.8000113.6L5 V49 L52 L64 E68 Y71L5-L54 HydrophobicContact CD2-CD1 3.75Å; V49-L54 HydrophobicContact CG1-CB 4.3Å; V49-L54 HydrophobicContact CG1-CD1 4.49Å; V49-L54 HydrophobicContact CG2-CD1 4.13Å; V49-L54 PolarHBondContact O-N 3.26Å; L52-L54 VanDerWaalsContact C-N 3.26Å; L52-L54 HydrophobicContact CB-CD2 3.71Å; L52-L54 HydrophobicContact CB-CG 3.78Å; L52-L54 HydrophobicContact CD1-CD1 4.42Å; L52-L54 HydrophobicContact CD1-CD2 4.46Å; L52-L54 PolarHBondContact O-N 3.44Å; L54-L64 WeakPolarHBondContact O-CD2 3.36Å; L54-E68 HydrophobicContact CD1-CG 4.4Å; L54-Y71 HydrophobicContact CD1-CD2 3.77Å; L54-Y71 HydrophobicContact CD1-CE2 4.18Å
55F92.3Very high92.1Very high46 Ų4676 Ų7620%0.20239%0.387CS..  trans-126.6124179.7-56.7-56000111.3V49 R53 L64 I72 L106 Y110V49-F55 HydrophobicContact CG1-CD2 3.56Å; V49-F55 HydrophobicContact CG1-CE2 3.59Å; R53-F55 PolarHBondContact O-N 2.92Å; F55-L64 HydrophobicContact CD1-CD1 4.21Å; F55-L64 HydrophobicContact CD1-CD2 4.07Å; F55-L64 HydrophobicContact CE1-CD1 3.79Å; F55-L64 HydrophobicContact CE1-CD2 4.09Å; F55-I72 HydrophobicContact CE1-CD1 4.39Å; F55-I72 HydrophobicContact CE1-CG1 3.62Å; F55-I72 HydrophobicContact CZ-CB 4.46Å; F55-I72 HydrophobicContact CZ-CG1 3.6Å; F55-L106 HydrophobicContact CB-CD1 4.39Å; F55-L106 HydrophobicContact CD2-CD2 4.34Å; F55-L106 HydrophobicContact CE2-CD2 4.35Å; F55-L106 HydrophobicContact CG-CD1 4.37Å; F55-Y110 WeakPolarHBondContact CA-OH 3.2Å; F55-Y110 HydrophobicContact CB-CE2 4.29Å; F55-Y110 WeakPolarHBondContact CB-OH 3.43Å; F55-Y110 HydrophobicContact CD1-CE1 4.08Å; F55-Y110 HydrophobicContact CD1-CE2 4.24Å; F55-Y110 AromaticContact CD1-CZ 3.72Å
56S89.5Confident91.9Very high55 Ų5576.5 Ų76.539%0.38539%0.391SS..  trans-111.8163.6167.3-169.80000112N58 E59 Y110S56-N58 VanDerWaalsContact C-N 3.32Å; S56-E59 VanDerWaalsContact CB-OE1 3.27Å; S56-E59 WeakPolarHBondContact CB-OE1 3.42Å; S56-E59 WeakPolarHBondContact CB-OE2 3.43Å; S56-E59 PolarHBondContact N-OE2 3.39Å; S56-Y110 PolarHBondContact N-OH 3.49Å; S56-Y110 PolarHBondContact O-OH 3.34Å
57K84.9Confident91.6Very high174 Ų17477.1 Ų77.176%0.75740%0.398SS*.THydrogen-bonded Turntrans-76.2-19.8177.5-67.3-177.9-179.1175.60113.9
58N86.2Confident91.6Very high157 Ų15777.2 Ų77.284%0.8439%0.393SS*.THydrogen-bonded Turntrans-106.411.6-176.1-60.7-26.3000112S56S56-N58 VanDerWaalsContact C-N 3.32Å
59E90Very high91.6Very high61 Ų6175.6 Ų75.629%0.28539%0.385SS..  trans-97150.8176.2-78.8162.2-165.500109.5S56 D63 Y110S56-E59 VanDerWaalsContact CB-OE1 3.27Å; S56-E59 WeakPolarHBondContact CB-OE1 3.42Å; S56-E59 WeakPolarHBondContact CB-OE2 3.43Å; S56-E59 PolarHBondContact N-OE2 3.39Å; E59-D63 HydrophobicContact CB-CB 4.27Å; E59-D63 HydrophobicContact CG-CB 4.2Å; E59-Y110 HydrophobicContact CB-CE1 3.84Å; E59-Y110 PolarHBondContact OE2-OH 2.95Å
60S92.2Very high91.5Very high46 Ų4677.7 Ų77.732%0.32239%0.392SS..  trans-109.5170.8173.769.50000109.8D62 D63S60-D62 PolarHBondContact O-N 2.96Å; S60-D62 VanDerWaalsContact O-N 3.14Å; S60-D62 PolarHBondContact OG-N 3.39Å; S60-D63 PolarHBondContact N-OD2 3.33Å; S60-D63 PolarHBondContact O-N 3.39Å; S60-D63 VanDerWaalsContact O-N 3.08Å; S60-D63 PolarHBondContact OG-OD2 3.1Å
61L90.5Very high91.7Very high26 Ų2672.6 Ų72.614%0.13636%0.364CS..G310 helixtrans-56.5-28.8173.8-171.869.3000113.1D63 L64 I69 I72 Y110 V112 R174 L178L61-D63 VanDerWaalsContact C-N 3.26Å; L61-D63 PolarHBondContact O-N 2.95Å; L61-L64 PolarHBondContact O-N 3.44Å; L61-I69 HydrophobicContact CD1-CD1 3.99Å; L61-I69 HydrophobicContact CD1-CG1 3.94Å; L61-I69 HydrophobicContact CD1-CG2 4.44Å; L61-I72 HydrophobicContact CD1-CD1 4.48Å; L61-Y110 WeakPolarHBondContact CB-O 3.03Å; L61-Y110 PolarHBondContact N-O 2.84Å; L61-V112 HydrophobicContact CD1-CG2 4.28Å; L61-R174 VanDerWaalsContact C-NH2 3.3Å; L61-R174 PolarHBondContact O-NH1 2.96Å; L61-R174 PolarHBondContact O-NH2 2.69Å; L61-L178 HydrophobicContact CD1-CD2 3.73Å; L61-L178 HydrophobicContact CD2-CD1 4.14Å; L61-L178 HydrophobicContact CD2-CD2 3.49Å; L61-L178 VanDerWaalsContact CD2-CD2 3.49Å; L61-L178 HydrophobicContact CD2-CG 4.44Å; L61-L178 HydrophobicContact CG-CD2 4.12Å
62D91.1Very high91.8Very high133 Ų13365.8 Ų65.871%0.71133%0.332SS*.G310 helixtrans-73.3-19.3-179.2-66-27.4000113.2S60 L64 R174S60-D62 PolarHBondContact O-N 2.96Å; S60-D62 VanDerWaalsContact O-N 3.14Å; S60-D62 PolarHBondContact OG-N 3.39Å; D62-L64 VanDerWaalsContact C-N 3.32Å; D62-R174 IonicContact OD1-NH2 2.75Å; D62-R174 PolarHBondContact OD1-NH2 3.05Å
63D92.1Very high91.9Very high103 Ų10360.8 Ų60.855%0.55131%0.306SS*.G310 helixtrans-81.5-14.8175.7-57.1-64000112.4E59 S60 L61E59-D63 HydrophobicContact CB-CB 4.27Å; E59-D63 HydrophobicContact CG-CB 4.2Å; S60-D63 PolarHBondContact N-OD2 3.33Å; S60-D63 PolarHBondContact O-N 3.39Å; S60-D63 VanDerWaalsContact O-N 3.08Å; S60-D63 PolarHBondContact OG-OD2 3.1Å; L61-D63 VanDerWaalsContact C-N 3.26Å; L61-D63 PolarHBondContact O-N 2.95Å
64L92.5Very high92.2Very high9 Ų951.1 Ų51.15%0.04727%0.27CS..SBendtrans-90.4137.4179.9-62.2-180000112.1L54 F55 L61 D62 E68 I69 I72 Y110 R174L54-L64 WeakPolarHBondContact O-CD2 3.36Å; F55-L64 HydrophobicContact CD1-CD1 4.21Å; F55-L64 HydrophobicContact CD1-CD2 4.07Å; F55-L64 HydrophobicContact CE1-CD1 3.79Å; F55-L64 HydrophobicContact CE1-CD2 4.09Å; L61-L64 PolarHBondContact O-N 3.44Å; D62-L64 VanDerWaalsContact C-N 3.32Å; L64-E68 HydrophobicContact CB-CB 4.45Å; L64-E68 HydrophobicContact CD2-CB 4.39Å; L64-I69 HydrophobicContact CB-CG1 4.04Å; L64-I69 HydrophobicContact CD1-CG1 4.3Å; L64-I72 HydrophobicContact CD1-CD1 3.92Å; L64-Y110 HydrophobicContact CD1-CD1 3.52Å; L64-Y110 HydrophobicContact CD1-CE1 3.55Å; L64-Y110 HydrophobicContact CD2-CE1 3.95Å; L64-Y110 HydrophobicContact CG-CD1 4.04Å; L64-Y110 HydrophobicContact CG-CE1 3.76Å; L64-R174 PolarHBondContact O-NH1 2.84Å
65S92.7Very high92.6Very high50 Ų5050.6 Ų50.635%0.3527%0.267SS..  trans-65.9155.116770.10000111.2T67 E68 I69S65-T67 PolarHBondContact O-N 3.16Å; S65-T67 PolarHBondContact OG-OG1 3.02Å; S65-E68 VanDerWaalsContact CB-OE2 3.24Å; S65-E68 WeakPolarHBondContact CB-OE2 3.42Å; S65-E68 PolarHBondContact N-OE2 3.16Å; S65-E68 PolarHBondContact O-N 3.04Å; S65-E68 WeakPolarHBondContact OG-CG 3.47Å; S65-E68 PolarHBondContact OG-N 3.36Å; S65-E68 PolarHBondContact OG-OE2 3.35Å; S65-I69 PolarHBondContact O-N 3.42Å
66S91.4Very high92.8Very high11 Ų1148.4 Ų48.48%0.07726%0.258CS..THydrogen-bonded Turntrans-48-41177.8-48.40000112.3E170 N177S66-E170 WeakPolarHBondContact CB-OE2 3.43Å; S66-E170 PolarHBondContact OG-O 2.98Å; S66-E170 PolarHBondContact OG-OE2 3.29Å; S66-N177 WeakPolarHBondContact O-CB 3.41Å; S66-N177 VanDerWaalsContact O-CG 3.29Å; S66-N177 PolarHBondContact O-ND2 3.33Å
67T90.2Very high93.2Very high61 Ų6145.8 Ų45.837%0.37424%0.239SC..THydrogen-bonded Turntrans-79.4-21.6-177.750.10000114.8S65 R70S65-T67 PolarHBondContact O-N 3.16Å; S65-T67 PolarHBondContact OG-OG1 3.02Å; T67-R70 VanDerWaalsContact O-CD 3.3Å; T67-R70 WeakPolarHBondContact O-CD 3.49Å; T67-R70 WeakPolarHBondContact O-CG 3.5Å; T67-R70 PolarHBondContact O-NE 3.43Å
68E94.4Very high93.9Very high53 Ų5338 Ų3825%0.24821%0.206CC..THydrogen-bonded Turntrans-78.9-31.1179.3-75.1158.916000111.8L54 L64 S65 R70 Y71L54-E68 HydrophobicContact CD1-CG 4.4Å; L64-E68 HydrophobicContact CB-CB 4.45Å; L64-E68 HydrophobicContact CD2-CB 4.39Å; S65-E68 VanDerWaalsContact CB-OE2 3.24Å; S65-E68 WeakPolarHBondContact CB-OE2 3.42Å; S65-E68 PolarHBondContact N-OE2 3.16Å; S65-E68 PolarHBondContact O-N 3.04Å; S65-E68 WeakPolarHBondContact OG-CG 3.47Å; S65-E68 PolarHBondContact OG-N 3.36Å; S65-E68 PolarHBondContact OG-OE2 3.35Å; E68-R70 PolarHBondContact O-N 3.48Å; E68-R70 VanDerWaalsContact O-N 3.12Å; E68-Y71 HydrophobicContact CB-CD2 4.48Å; E68-Y71 WeakPolarHBondContact O-CB 3.45Å; E68-Y71 WeakPolarHBondContact O-CD2 3.34Å; E68-Y71 PolarHBondContact O-N 2.97Å
69I95.7Very high94.4Very high0 Ų030.5 Ų30.50%017%0.166CC..G310 helixtrans-52.3-38.2177.7-66.1171.3000111.7L61 L64 S65 Y71 I72 R174 N177 L178 V181L61-I69 HydrophobicContact CD1-CD1 3.99Å; L61-I69 HydrophobicContact CD1-CG1 3.94Å; L61-I69 HydrophobicContact CD1-CG2 4.44Å; L64-I69 HydrophobicContact CB-CG1 4.04Å; L64-I69 HydrophobicContact CD1-CG1 4.3Å; S65-I69 PolarHBondContact O-N 3.42Å; I69-Y71 PolarHBondContact O-N 2.94Å; I69-Y71 VanDerWaalsContact O-N 3.16Å; I69-I72 HydrophobicContact CG2-CD1 4.35Å; I69-I72 VanDerWaalsContact O-CB 3.26Å; I69-I72 WeakPolarHBondContact O-CB 3.45Å; I69-I72 VanDerWaalsContact O-CG1 3.27Å; I69-I72 WeakPolarHBondContact O-CG1 3.16Å; I69-I72 PolarHBondContact O-N 3.1Å; I69-I72 VanDerWaalsContact O-N 3.08Å; I69-R174 HydrophobicContact CD1-CG 3.91Å; I69-N177 HydrophobicContact CB-CB 4.07Å; I69-N177 HydrophobicContact CG2-CB 4.03Å; I69-L178 HydrophobicContact CD1-CD2 4.3Å; I69-L178 HydrophobicContact CD1-CG 4.2Å; I69-L178 HydrophobicContact CG2-CD2 3.87Å; I69-L178 HydrophobicContact CG2-CG 4.19Å; I69-V181 HydrophobicContact CG2-CG2 4Å; I69-V181 WeakPolarHBondContact O-CG2 3.37Å
70R94.4Very high94.8Very high51 Ų5128.9 Ų28.919%0.19216%0.157CC..G310 helixtrans-62.2-24.8179.879.1-162.2166.7168-5.4113.1F9 T67 E68 I72 C73 N177F9-R70 HydrophobicContact CD1-CG 4.08Å; F9-R70 HydrophobicContact CE1-CB 3.95Å; F9-R70 HydrophobicContact CE1-CG 3.63Å; F9-R70 HydrophobicContact CE2-CG 4.48Å; F9-R70 WeakPolarHBondContact CE2-O 3.06Å; F9-R70 HydrophobicContact CZ-CB 3.94Å; F9-R70 HydrophobicContact CZ-CG 3.86Å; F9-R70 WeakPolarHBondContact CZ-O 3.43Å; T67-R70 VanDerWaalsContact O-CD 3.3Å; T67-R70 WeakPolarHBondContact O-CD 3.49Å; T67-R70 WeakPolarHBondContact O-CG 3.5Å; T67-R70 PolarHBondContact O-NE 3.43Å; E68-R70 PolarHBondContact O-N 3.48Å; E68-R70 VanDerWaalsContact O-N 3.12Å; R70-I72 PolarHBondContact O-N 2.82Å; R70-C73 PolarHBondContact O-N 3.28Å; R70-C73 PolarHBondContact O-SG 2.99Å; R70-N177 HydrophobicContact CB-CB 4.39Å; R70-N177 WeakPolarHBondContact CB-OD1 3.34Å
71Y96.6Very high95Very high11 Ų1126.7 Ų26.74%0.04314%0.142CC..G310 helixtrans-76.3-13.4180-55.3-49.8000112.7L5 F9 V49 L54 E68 I69 C73 L74L5-Y71 HydrophobicContact CD1-CD1 4.43Å; L5-Y71 HydrophobicContact CD1-CE1 4.19Å; L5-Y71 HydrophobicContact CD2-CD1 4.29Å; L5-Y71 HydrophobicContact CD2-CD2 3.89Å; L5-Y71 HydrophobicContact CD2-CE1 4Å; L5-Y71 HydrophobicContact CD2-CE2 3.58Å; L5-Y71 HydrophobicContact CD2-CG 4.24Å; L5-Y71 HydrophobicContact CG-CD1 4.28Å; L5-Y71 HydrophobicContact CG-CE1 3.71Å; L5-Y71 HydrophobicContact CG-CE2 4.12Å; F9-Y71 HydrophobicContact CB-CD1 4.38Å; F9-Y71 HydrophobicContact CB-CE1 3.78Å; F9-Y71 HydrophobicContact CD1-CE1 4.35Å; F9-Y71 AromaticContact CD2-CD1 3.78Å; F9-Y71 HydrophobicContact CD2-CD1 3.78Å; F9-Y71 HydrophobicContact CD2-CE1 4.02Å; F9-Y71 HydrophobicContact CE2-CD1 4.2Å; F9-Y71 HydrophobicContact CG-CD1 4.05Å; F9-Y71 AromaticContact CG-CE1 3.8Å; F9-Y71 HydrophobicContact CG-CE1 3.8Å; V49-Y71 HydrophobicContact CG2-CG 4.4Å; L54-Y71 HydrophobicContact CD1-CD2 3.77Å; L54-Y71 HydrophobicContact CD1-CE2 4.18Å; E68-Y71 HydrophobicContact CB-CD2 4.48Å; E68-Y71 WeakPolarHBondContact O-CB 3.45Å; E68-Y71 WeakPolarHBondContact O-CD2 3.34Å; E68-Y71 PolarHBondContact O-N 2.97Å; I69-Y71 PolarHBondContact O-N 2.94Å; I69-Y71 VanDerWaalsContact O-N 3.16Å; Y71-C73 PolarHBondContact O-N 3.18Å; Y71-L74 HydrophobicContact CD1-CD1 4.44Å; Y71-L74 WeakPolarHBondContact O-CB 3.4Å; Y71-L74 WeakPolarHBondContact O-CG 3.46Å; Y71-L74 PolarHBondContact O-N 2.93Å; Y71-L74 VanDerWaalsContact O-N 3.15Å
72I96.2Very high95.3Very high0 Ų025.6 Ų25.60%014%0.136CC..G310 helixtrans-59-31.8172.7-61.7174.9000110.6F55 L61 L64 I69 R70 L74 P75 F103 L106 V181F55-I72 HydrophobicContact CE1-CD1 4.39Å; F55-I72 HydrophobicContact CE1-CG1 3.62Å; F55-I72 HydrophobicContact CZ-CB 4.46Å; F55-I72 HydrophobicContact CZ-CG1 3.6Å; L61-I72 HydrophobicContact CD1-CD1 4.48Å; L64-I72 HydrophobicContact CD1-CD1 3.92Å; I69-I72 HydrophobicContact CG2-CD1 4.35Å; I69-I72 VanDerWaalsContact O-CB 3.26Å; I69-I72 WeakPolarHBondContact O-CB 3.45Å; I69-I72 VanDerWaalsContact O-CG1 3.27Å; I69-I72 WeakPolarHBondContact O-CG1 3.16Å; I69-I72 PolarHBondContact O-N 3.1Å; I69-I72 VanDerWaalsContact O-N 3.08Å; R70-I72 PolarHBondContact O-N 2.82Å; I72-L74 VanDerWaalsContact C-N 3.28Å; I72-L74 PolarHBondContact O-N 3.48Å; I72-P75 VanDerWaalsContact O-CD 3.23Å; I72-P75 WeakPolarHBondContact O-CD 3.32Å; I72-F103 HydrophobicContact CG2-CD2 4.29Å; I72-F103 HydrophobicContact CG2-CE2 4Å; I72-F103 WeakPolarHBondContact O-CD2 3.36Å; I72-F103 WeakPolarHBondContact O-CE2 3.38Å; I72-L106 HydrophobicContact CB-CD2 4.33Å; I72-L106 HydrophobicContact CG1-CD2 4.46Å; I72-L106 HydrophobicContact CG2-CD2 3.89Å; I72-L106 HydrophobicContact CG2-CG 4.11Å; I72-V181 HydrophobicContact CB-CG2 4.15Å; I72-V181 HydrophobicContact CG2-CG1 4.12Å
73C96.1Very high95.5Very high0 Ų019.6 Ų19.60%011%0.105CC..G310 helixtrans-79.4-2-17975.10000114.8R70 Y71 A76 L77 F103 W184R70-C73 PolarHBondContact O-N 3.28Å; R70-C73 PolarHBondContact O-SG 2.99Å; Y71-C73 PolarHBondContact O-N 3.18Å; C73-A76 WeakPolarHBondContact O-CB 3.44Å; C73-A76 PolarHBondContact O-N 3.42Å; C73-A76 VanDerWaalsContact O-N 3.1Å; C73-L77 PolarHBondContact O-N 3.32Å; C73-F103 HydrophobicContact CB-CE2 4.32Å; C73-W184 HydrophobicContact CB-CB 4.22Å; C73-W184 HydrophobicContact CB-CG 3.96Å
74L97.5Very high95.7Very high2 Ų217 Ų171%0.019%0.09CC..Hα-helixtrans-56.1-45.6-179.3-78.5171.3000114F9 I12 A45 M46 V49 Y71 I72 A76 L77 L78F9-L74 HydrophobicContact CD2-CD2 3.87Å; F9-L74 HydrophobicContact CD2-CG 4.39Å; F9-L74 HydrophobicContact CE2-CD2 4.1Å; F9-L74 HydrophobicContact CE2-CG 4.36Å; I12-L74 HydrophobicContact CD1-CD2 3.74Å; A45-L74 HydrophobicContact CB-CD1 4.02Å; A45-L74 HydrophobicContact CB-CD2 3.74Å; M46-L74 HydrophobicContact CG-CB 4.05Å; M46-L74 HydrophobicContact CG-CD1 4.42Å; V49-L74 HydrophobicContact CG2-CD1 3.66Å; Y71-L74 HydrophobicContact CD1-CD1 4.44Å; Y71-L74 WeakPolarHBondContact O-CB 3.4Å; Y71-L74 WeakPolarHBondContact O-CG 3.46Å; Y71-L74 PolarHBondContact O-N 2.93Å; Y71-L74 VanDerWaalsContact O-N 3.15Å; I72-L74 VanDerWaalsContact C-N 3.28Å; I72-L74 PolarHBondContact O-N 3.48Å; L74-A76 VanDerWaalsContact C-N 3.3Å; L74-A76 PolarHBondContact O-N 2.98Å; L74-L77 PolarHBondContact O-N 2.92Å; L74-L78 PolarHBondContact O-N 3.42Å
75P97.4Very high95.7Very high13 Ų1319 Ų198%0.08410%0.098CC..Hα-helixtrans-65.8-34.2177.2-16.630.9000111.8M46 I72 L78 G79 L99 F103M46-P75 HydrophobicContact CE-CG 4.28Å; I72-P75 VanDerWaalsContact O-CD 3.23Å; I72-P75 WeakPolarHBondContact O-CD 3.32Å; P75-L78 PolarHBondContact O-N 3.1Å; P75-G79 PolarHBondContact O-N 3.44Å; P75-L99 HydrophobicContact CB-CD2 4.45Å; P75-F103 HydrophobicContact CB-CB 4.17Å
76A97.7Very high95.4Very high0 Ų020.1 Ų20.10%010%0.1CC..Hα-helixtrans-66.4-42174.800000112.5C73 L74 G79 Y80 Y100 F103 W184C73-A76 WeakPolarHBondContact O-CB 3.44Å; C73-A76 PolarHBondContact O-N 3.42Å; C73-A76 VanDerWaalsContact O-N 3.1Å; L74-A76 VanDerWaalsContact C-N 3.3Å; L74-A76 PolarHBondContact O-N 2.98Å; A76-G79 PolarHBondContact O-N 3.38Å; A76-Y80 WeakPolarHBondContact O-CB 3Å; A76-Y80 PolarHBondContact O-N 2.87Å; A76-Y100 HydrophobicContact CB-CD1 4.21Å; A76-Y100 HydrophobicContact CB-CE1 4.11Å; A76-Y100 WeakPolarHBondContact O-CE1 3.48Å; A76-F103 HydrophobicContact CB-CB 4.3Å; A76-F103 HydrophobicContact CB-CD1 3.61Å; A76-F103 HydrophobicContact CB-CD2 4.11Å; A76-F103 HydrophobicContact CB-CE1 3.81Å; A76-F103 HydrophobicContact CB-CE2 4.3Å; A76-F103 HydrophobicContact CB-CG 3.76Å; A76-F103 HydrophobicContact CB-CZ 4.17Å; A76-W184 HydrophobicContact CB-CB 4.45Å; A76-W184 HydrophobicContact CB-CD2 4.43Å; A76-W184 HydrophobicContact CB-CE3 3.95Å
77L98.1Very high95.2Very high0 Ų024 Ų240%012%0.12CC..Hα-helixtrans-60.2-46.1173.6-80.4157.9000111.3F9 I12 L13 Y16 C73 L74 G79 Y80 F81 W184F9-L77 HydrophobicContact CE2-CD1 4.06Å; I12-L77 HydrophobicContact CG2-CB 4.35Å; I12-L77 HydrophobicContact CG2-CD1 3.87Å; I12-L77 HydrophobicContact CG2-CD2 4.1Å; I12-L77 HydrophobicContact CG2-CG 4.35Å; L13-L77 HydrophobicContact CD2-CD1 4.44Å; Y16-L77 HydrophobicContact CD2-CD2 4.33Å; Y16-L77 HydrophobicContact CG-CD2 4.32Å; C73-L77 PolarHBondContact O-N 3.32Å; L74-L77 PolarHBondContact O-N 2.92Å; L77-G79 VanDerWaalsContact C-N 3.33Å; L77-G79 PolarHBondContact O-N 2.91Å; L77-Y80 WeakPolarHBondContact O-CB 2.91Å; L77-Y80 PolarHBondContact O-N 3.4Å; L77-F81 HydrophobicContact CB-CE2 4.3Å; L77-F81 HydrophobicContact CD2-CE2 4.46Å; L77-F81 HydrophobicContact CD2-CZ 4.46Å; L77-F81 WeakPolarHBondContact O-CD2 3.41Å; L77-F81 WeakPolarHBondContact O-CG 3.3Å; L77-F81 PolarHBondContact O-N 3.44Å; L77-W184 HydrophobicContact CD2-CH2 3.55Å; L77-W184 HydrophobicContact CD2-CZ2 3.21Å; L77-W184 HydrophobicContact CG-CH2 4.09Å; L77-W184 HydrophobicContact CG-CZ2 3.78Å
78L98.1Very high95.1Very high11 Ų1126.3 Ų26.36%0.05813%0.13CC..Hα-helixtrans-65.4-37.9176.7-174.457.4000111.8C39 C42 E43 M46 L74 P75 Y80 F81 N82 L99C39-L78 HydrophobicContact CB-CD1 3.97Å; C42-L78 HydrophobicContact CB-CB 3.95Å; C42-L78 HydrophobicContact CB-CD1 3.78Å; C42-L78 HydrophobicContact CB-CG 4.28Å; E43-L78 HydrophobicContact CG-CD1 4.41Å; E43-L78 HydrophobicContact CG-CD2 4.17Å; M46-L78 HydrophobicContact SD-CD2 3.69Å; L74-L78 PolarHBondContact O-N 3.42Å; P75-L78 PolarHBondContact O-N 3.1Å; L78-Y80 VanDerWaalsContact C-N 3.35Å; L78-F81 PolarHBondContact O-N 3.03Å; L78-N82 WeakPolarHBondContact CD1-ND2 2.8Å; L78-N82 PolarHBondContact O-N 2.97Å; L78-N82 PolarHBondContact O-ND2 3.02Å; L78-L99 HydrophobicContact CB-CD1 4Å; L78-L99 HydrophobicContact CD2-CD1 3.88Å; L78-L99 HydrophobicContact CD2-CD2 3.87Å; L78-L99 HydrophobicContact CG-CD1 3.57Å; L78-L99 HydrophobicContact CG-CD2 4.37Å
79G97.7Very high95Very high0 Ų026.4 Ų26.40%013%0.128CC..Hα-helixtrans-60-45.3173.700000111.6P75 A76 L77 N82 S83 A96P75-G79 PolarHBondContact O-N 3.44Å; A76-G79 PolarHBondContact O-N 3.38Å; L77-G79 VanDerWaalsContact C-N 3.33Å; L77-G79 PolarHBondContact O-N 2.91Å; G79-N82 PolarHBondContact O-N 2.83Å; G79-S83 PolarHBondContact O-N 3.45Å; G79-A96 WeakPolarHBondContact O-CB 3.33Å
80Y97.8Very high94.9Very high26 Ų2629 Ų2910%0.10215%0.145CC..Hα-helixtrans-60.9-48.7175.2176.9-95.4000111.9Y16 V19 A76 L77 L78 N82 S83 Q84 Y100 W184Y16-Y80 AromaticContact CD2-CD1 3.84Å; Y16-Y80 HydrophobicContact CD2-CD1 3.84Å; Y16-Y80 AromaticContact CD2-CE1 3.65Å; Y16-Y80 HydrophobicContact CD2-CE1 3.65Å; Y16-Y80 HydrophobicContact CE2-CD1 4.05Å; Y16-Y80 AromaticContact CE2-CE1 3.74Å; Y16-Y80 HydrophobicContact CE2-CE1 3.74Å; Y16-Y80 HydrophobicContact CE2-CE2 4.33Å; Y16-Y80 HydrophobicContact CE2-CG 4.47Å; Y16-Y80 AromaticContact CE2-CZ 3.89Å; V19-Y80 HydrophobicContact CG1-CE1 3.88Å; A76-Y80 WeakPolarHBondContact O-CB 3Å; A76-Y80 PolarHBondContact O-N 2.87Å; L77-Y80 WeakPolarHBondContact O-CB 2.91Å; L77-Y80 PolarHBondContact O-N 3.4Å; L78-Y80 VanDerWaalsContact C-N 3.35Å; Y80-N82 VanDerWaalsContact C-N 3.28Å; Y80-N82 PolarHBondContact O-N 3.28Å; Y80-S83 PolarHBondContact O-N 2.95Å; Y80-S83 PolarHBondContact O-OG 3.15Å; Y80-Q84 HydrophobicContact CE1-CG 4.19Å; Y80-Q84 WeakPolarHBondContact O-CG 3.48Å; Y80-Q84 PolarHBondContact O-N 3.49Å; Y80-Y100 VanDerWaalsContact CA-OH 3.24Å; Y80-Y100 WeakPolarHBondContact CA-OH 3.16Å; Y80-Y100 PolarHBondContact N-OH 3.48Å; Y80-W184 HydrophobicContact CG-CH2 4.29Å; Y80-W184 HydrophobicContact CG-CZ3 4.31Å
81F97.6Very high94.9Very high0 Ų028.3 Ų28.30%015%0.148CC..Hα-helixtrans-63.3-35.3178.9-62.8-51.1000112.8I12 V19 L35 A38 C42 L77 L78 Q84I12-F81 HydrophobicContact CG2-CE2 4Å; I12-F81 HydrophobicContact CG2-CZ 4.36Å; V19-F81 HydrophobicContact CB-CE1 4.47Å; V19-F81 HydrophobicContact CG2-CD1 4.35Å; V19-F81 HydrophobicContact CG2-CE1 4.16Å; L35-F81 HydrophobicContact CD2-CB 4.5Å; L35-F81 HydrophobicContact CD2-CD1 4.26Å; A38-F81 HydrophobicContact CB-CD1 3.79Å; A38-F81 HydrophobicContact CB-CD2 3.87Å; A38-F81 HydrophobicContact CB-CE1 3.79Å; A38-F81 HydrophobicContact CB-CE2 3.89Å; A38-F81 HydrophobicContact CB-CG 3.84Å; A38-F81 HydrophobicContact CB-CZ 3.85Å; C42-F81 VanDerWaalsContact SG-CE2 3.57Å; L77-F81 HydrophobicContact CB-CE2 4.3Å; L77-F81 HydrophobicContact CD2-CE2 4.46Å; L77-F81 HydrophobicContact CD2-CZ 4.46Å; L77-F81 WeakPolarHBondContact O-CD2 3.41Å; L77-F81 WeakPolarHBondContact O-CG 3.3Å; L77-F81 PolarHBondContact O-N 3.44Å; L78-F81 PolarHBondContact O-N 3.03Å; F81-Q84 PolarHBondContact O-N 3.35Å
82N96.5Very high94.9Very high3 Ų328.5 Ų28.52%0.01615%0.15CC..Hα-helixtrans-71.6-30.6173.6-76.7-72000112.6L78 G79 Y80 Q84 K85 A96L78-N82 WeakPolarHBondContact CD1-ND2 2.8Å; L78-N82 PolarHBondContact O-N 2.97Å; L78-N82 PolarHBondContact O-ND2 3.02Å; G79-N82 PolarHBondContact O-N 2.83Å; Y80-N82 VanDerWaalsContact C-N 3.28Å; Y80-N82 PolarHBondContact O-N 3.28Å; N82-Q84 PolarHBondContact O-N 3.08Å; N82-K85 PolarHBondContact O-N 3.31Å; N82-K85 PolarHBondContact OD1-NZ 2.92Å; N82-A96 HydrophobicContact CB-CB 4.21Å
83S95.5Very high94.8Very high8 Ų828.5 Ų28.56%0.05615%0.151CC..Hα-helixtrans-65.5-27.2174.8820000112.6G79 Y80 R89 D191G79-S83 PolarHBondContact O-N 3.45Å; Y80-S83 PolarHBondContact O-N 2.95Å; Y80-S83 PolarHBondContact O-OG 3.15Å; S83-R89 PolarHBondContact O-NH1 3.43Å; S83-D191 PolarHBondContact OG-OD2 2.95Å
84Q94.8Very high94.9Very high48 Ų4835.7 Ų35.722%0.22418%0.178CC..THydrogen-bonded Turntrans-82.4-10.7176.8-56.9-50.9-38.300114.4V19 F31 L35 Y80 F81 N82V19-Q84 HydrophobicContact CG1-CG 4.05Å; F31-Q84 HydrophobicContact CZ-CB 4.31Å; L35-Q84 HydrophobicContact CD1-CB 3.9Å; L35-Q84 HydrophobicContact CD2-CB 3.79Å; L35-Q84 HydrophobicContact CD2-CG 4.49Å; Y80-Q84 HydrophobicContact CE1-CG 4.19Å; Y80-Q84 WeakPolarHBondContact O-CG 3.48Å; Y80-Q84 PolarHBondContact O-N 3.49Å; F81-Q84 PolarHBondContact O-N 3.35Å; N82-Q84 PolarHBondContact O-N 3.08Å
85K93Very high94.8Very high52 Ų5239.1 Ų39.123%0.22620%0.196CC..  trans-74.8138.6-179.4-70.8178.3-177.91680111.3L35 C39 N82 R89 C92L35-K85 HydrophobicContact CD1-CG 3.95Å; C39-K85 WeakPolarHBondContact SG-CE 3.46Å; C39-K85 PolarHBondContact SG-NZ 3.43Å; N82-K85 PolarHBondContact O-N 3.31Å; N82-K85 PolarHBondContact OD1-NZ 2.92Å; K85-R89 WeakPolarHBondContact O-CD 3.43Å; K85-R89 PolarHBondContact O-NH1 3.48Å; K85-C92 HydrophobicContact CB-CB 4.24Å
86N87.8Confident94.8Very high72 Ų7238.5 Ų38.539%0.38519%0.192SC..  trans-99.6-27.6177.6-68.2-38.8000113.1Y26 R89Y26-N86 PolarHBondContact O-ND2 3.14Å; Y26-N86 VanDerWaalsContact O-ND2 3.09Å; N86-R89 PolarHBondContact OD1-NH1 2.86Å
87D86Confident94.7Very high93 Ų9340 Ų4050%0.49720%0.2SC..THydrogen-bonded Turntrans-78.1136.9180-57.1-38.9000110K32 R89 C92K32-D87 WeakPolarHBondContact CD-OD2 3.25Å; K32-D87 WeakPolarHBondContact CE-OD2 3.48Å; K32-D87 IonicContact NZ-OD1 3.83Å; K32-D87 PolarHBondContact NZ-OD1 3.44Å; K32-D87 IonicContact NZ-OD2 2.72Å; K32-D87 PolarHBondContact NZ-OD2 3.4Å; D87-R89 PolarHBondContact O-N 3.1Å; D87-C92 PolarHBondContact O-SG 3.33Å
88D88.2Confident94.7Very high109 Ų10942.4 Ų42.458%0.58322%0.216SC*.THydrogen-bonded Turntrans4946.3-174.9-168.717.2000112.8P90 S91 C92D88-P90 VanDerWaalsContact C-CD 3.44Å; D88-S91 VanDerWaalsContact CG-OG 3.24Å; D88-S91 PolarHBondContact O-N 2.69Å; D88-S91 WeakPolarHBondContact OD1-CB 3.29Å; D88-S91 PolarHBondContact OD1-OG 2.73Å; D88-S91 WeakPolarHBondContact OD2-CB 3.47Å; D88-S91 PolarHBondContact OD2-OG 2.96Å; D88-C92 PolarHBondContact O-N 2.92Å
89R92.9Very high94.7Very high56 Ų5642.4 Ų42.421%0.21122%0.216CC..Hα-helixtrans-48-46.4-172.3-171.964.1172.3-145.2-2.1114S83 K85 N86 D87 S91 C92 I93 E198 L202S83-R89 PolarHBondContact O-NH1 3.43Å; K85-R89 WeakPolarHBondContact O-CD 3.43Å; K85-R89 PolarHBondContact O-NH1 3.48Å; N86-R89 PolarHBondContact OD1-NH1 2.86Å; D87-R89 PolarHBondContact O-N 3.1Å; R89-S91 VanDerWaalsContact C-N 3.31Å; R89-S91 PolarHBondContact O-N 3.29Å; R89-C92 PolarHBondContact O-N 3.05Å; R89-I93 HydrophobicContact CG-CD1 3.83Å; R89-I93 HydrophobicContact CG-CG1 4.36Å; R89-I93 WeakPolarHBondContact O-CB 3.44Å; R89-I93 VanDerWaalsContact O-CG1 3.25Å; R89-I93 WeakPolarHBondContact O-CG1 3.44Å; R89-I93 PolarHBondContact O-N 2.89Å; R89-E198 WeakPolarHBondContact CG-OE1 3.47Å; R89-E198 IonicContact CZ-OE1 2.94Å; R89-E198 VanDerWaalsContact CZ-OE1 3.23Å; R89-E198 IonicContact CZ-OE2 2.69Å; R89-E198 IonicContact NE-OE1 2.73Å; R89-E198 PolarHBondContact NE-OE1 3.36Å; R89-E198 IonicContact NE-OE2 3.53Å; R89-E198 VanDerWaalsContact NH2-CD 3.31Å; R89-E198 IonicContact NH2-OE1 3.54Å; R89-E198 PolarHBondContact NH2-OE1 3.3Å; R89-E198 VanDerWaalsContact NH2-OE1 3.07Å; R89-E198 IonicContact NH2-OE2 2.75Å; R89-E198 PolarHBondContact NH2-OE2 3.44Å; R89-L202 HydrophobicContact CG-CD1 4.22Å
90P92.8Very high94.7Very high55 Ų5542.4 Ų42.436%0.35722%0.216SC..Hα-helixtrans-61.6-35.6179.1-22.434.3000113.7D88 R94 L202D88-P90 VanDerWaalsContact C-CD 3.44Å; P90-R94 VanDerWaalsContact O-CG 3.31Å; P90-R94 WeakPolarHBondContact O-CG 3.44Å; P90-R94 PolarHBondContact O-N 2.88Å; P90-R94 PolarHBondContact O-NE 3.43Å; P90-L202 HydrophobicContact CG-CD1 4.46Å
91S94.6Very high94.5Very high36 Ų3648 Ų4825%0.25224%0.241SC..Hα-helixtrans-76.1-40.7177.8-540000111.4D88 R89 I93 R94 L95D88-S91 VanDerWaalsContact CG-OG 3.24Å; D88-S91 PolarHBondContact O-N 2.69Å; D88-S91 WeakPolarHBondContact OD1-CB 3.29Å; D88-S91 PolarHBondContact OD1-OG 2.73Å; D88-S91 WeakPolarHBondContact OD2-CB 3.47Å; D88-S91 PolarHBondContact OD2-OG 2.96Å; R89-S91 VanDerWaalsContact C-N 3.31Å; R89-S91 PolarHBondContact O-N 3.29Å; S91-I93 VanDerWaalsContact C-N 3.33Å; S91-I93 PolarHBondContact O-N 3.22Å; S91-R94 PolarHBondContact O-N 3.14Å; S91-R94 PolarHBondContact OG-NH2 3.43Å; S91-R94 VanDerWaalsContact OG-NH2 3.09Å; S91-L95 WeakPolarHBondContact O-CB 3.5Å; S91-L95 PolarHBondContact O-N 2.65Å
92C95.6Very high94.4Very high14 Ų1452.3 Ų52.310%0.09526%0.264CS..Hα-helixtrans-59-42.8173.4-71.20000112K85 D87 D88 R89 L95 A96K85-C92 HydrophobicContact CB-CB 4.24Å; D87-C92 PolarHBondContact O-SG 3.33Å; D88-C92 PolarHBondContact O-N 2.92Å; R89-C92 PolarHBondContact O-N 3.05Å; C92-L95 PolarHBondContact O-N 3.33Å; C92-A96 WeakPolarHBondContact O-CB 3.45Å; C92-A96 PolarHBondContact O-N 3.04Å
93I96.1Very high94.5Very high1 Ų152.1 Ų52.11%0.00526%0.263CS..Hα-helixtrans-61.9-47.7175.5-69.9166.7000111.2R89 S91 L95 A96 L97 L195 E198 L199 L202R89-I93 HydrophobicContact CG-CD1 3.83Å; R89-I93 HydrophobicContact CG-CG1 4.36Å; R89-I93 WeakPolarHBondContact O-CB 3.44Å; R89-I93 VanDerWaalsContact O-CG1 3.25Å; R89-I93 WeakPolarHBondContact O-CG1 3.44Å; R89-I93 PolarHBondContact O-N 2.89Å; S91-I93 VanDerWaalsContact C-N 3.33Å; S91-I93 PolarHBondContact O-N 3.22Å; I93-L95 VanDerWaalsContact C-N 3.3Å; I93-L95 PolarHBondContact O-N 3.35Å; I93-A96 PolarHBondContact O-N 3.03Å; I93-L97 HydrophobicContact CG2-CD1 3.94Å; I93-L97 HydrophobicContact CG2-CG 4.34Å; I93-L97 WeakPolarHBondContact O-CG 3.17Å; I93-L97 PolarHBondContact O-N 2.9Å; I93-L195 HydrophobicContact CG1-CD2 3.92Å; I93-L195 HydrophobicContact CG2-CB 4.09Å; I93-L195 HydrophobicContact CG2-CD2 4.43Å; I93-E198 HydrophobicContact CD1-CB 4.3Å; I93-E198 HydrophobicContact CD1-CG 3.87Å; I93-L199 HydrophobicContact CG2-CB 4.08Å; I93-L199 HydrophobicContact CG2-CD1 4.31Å; I93-L199 HydrophobicContact CG2-CD2 4.45Å; I93-L202 HydrophobicContact CD1-CD1 3.66Å
94R96.3Very high94.5Very high150 Ų15051.9 Ų51.957%0.56626%0.261SS*.Hα-helixtrans-60.3-41.6179.3-75.5-178.9-67.5171.92.1111.7P90 S91 L97 S98P90-R94 VanDerWaalsContact O-CG 3.31Å; P90-R94 WeakPolarHBondContact O-CG 3.44Å; P90-R94 PolarHBondContact O-N 2.88Å; P90-R94 PolarHBondContact O-NE 3.43Å; S91-R94 PolarHBondContact O-N 3.14Å; S91-R94 PolarHBondContact OG-NH2 3.43Å; S91-R94 VanDerWaalsContact OG-NH2 3.09Å; R94-L97 PolarHBondContact O-N 3.29Å; R94-S98 PolarHBondContact O-N 2.94Å; R94-S98 PolarHBondContact O-OG 3.48Å
95L96.7Very high94.5Very high75 Ų7554.9 Ų54.939%0.39327%0.274SS..Hα-helixtrans-65.7-44.3175.7179.559.7000112S91 C92 I93 L97 S98 L99S91-L95 WeakPolarHBondContact O-CB 3.5Å; S91-L95 PolarHBondContact O-N 2.65Å; C92-L95 PolarHBondContact O-N 3.33Å; I93-L95 VanDerWaalsContact C-N 3.3Å; I93-L95 PolarHBondContact O-N 3.35Å; L95-L97 VanDerWaalsContact C-N 3.32Å; L95-L97 PolarHBondContact O-N 3.3Å; L95-S98 WeakPolarHBondContact CA-OG 3.48Å; L95-S98 PolarHBondContact O-N 2.98Å; L95-S98 PolarHBondContact O-OG 2.84Å; L95-L99 HydrophobicContact CD1-CD1 4.09Å; L95-L99 HydrophobicContact CD1-CG 4.23Å; L95-L99 HydrophobicContact CG-CD1 3.93Å; L95-L99 WeakPolarHBondContact O-CB 3.45Å; L95-L99 WeakPolarHBondContact O-CD1 3.39Å; L95-L99 VanDerWaalsContact O-CG 3.25Å; L95-L99 WeakPolarHBondContact O-CG 3.15Å; L95-L99 PolarHBondContact O-N 3.49Å
96A97Very high94.5Very high0 Ų054 Ų540%027%0.271CS..Hα-helixtrans-60.3-43.3176.500000111.6G79 N82 C92 I93 L99 Y100 L195G79-A96 WeakPolarHBondContact O-CB 3.33Å; N82-A96 HydrophobicContact CB-CB 4.21Å; C92-A96 WeakPolarHBondContact O-CB 3.45Å; C92-A96 PolarHBondContact O-N 3.04Å; I93-A96 PolarHBondContact O-N 3.03Å; A96-L99 PolarHBondContact O-N 3.03Å; A96-Y100 WeakPolarHBondContact O-CD2 3.41Å; A96-Y100 PolarHBondContact O-N 3.43Å; A96-L195 HydrophobicContact CB-CD1 3.84Å
97L96.3Very high94.9Very high32 Ų3250.6 Ų50.617%0.16825%0.253CS..Hα-helixtrans-63.9-40.2176.3-70.7174.7000112.6I93 R94 L95 K101 I192 L195 Q196 L199I93-L97 HydrophobicContact CG2-CD1 3.94Å; I93-L97 HydrophobicContact CG2-CG 4.34Å; I93-L97 WeakPolarHBondContact O-CG 3.17Å; I93-L97 PolarHBondContact O-N 2.9Å; R94-L97 PolarHBondContact O-N 3.29Å; L95-L97 VanDerWaalsContact C-N 3.32Å; L95-L97 PolarHBondContact O-N 3.3Å; L97-K101 WeakPolarHBondContact O-CB 3.34Å; L97-K101 PolarHBondContact O-N 3.4Å; L97-I192 HydrophobicContact CD2-CB 4.35Å; L97-I192 HydrophobicContact CD2-CG1 4.26Å; L97-I192 HydrophobicContact CD2-CG2 4.17Å; L97-L195 HydrophobicContact CD2-CB 4.01Å; L97-L195 HydrophobicContact CD2-CD1 4.46Å; L97-L195 HydrophobicContact CG-CB 4.34Å; L97-Q196 HydrophobicContact CD1-CG 4.24Å; L97-Q196 HydrophobicContact CD2-CG 4.05Å; L97-L199 HydrophobicContact CD1-CD2 4.28Å
98S97Very high95.3Very high50 Ų5049.2 Ų49.235%0.3525%0.251SS..Hα-helixtrans-65.4-42.1175.559.70000111.8R94 L95 K101 D102R94-S98 PolarHBondContact O-N 2.94Å; R94-S98 PolarHBondContact O-OG 3.48Å; L95-S98 WeakPolarHBondContact CA-OG 3.48Å; L95-S98 PolarHBondContact O-N 2.98Å; L95-S98 PolarHBondContact O-OG 2.84Å; S98-K101 WeakPolarHBondContact O-CB 3.28Å; S98-K101 PolarHBondContact O-N 2.87Å; S98-D102 PolarHBondContact O-N 3.25Å
99L97.8Very high95.5Very high11 Ų1147.8 Ų47.86%0.05824%0.243CC..Hα-helixtrans-64.8-40.5178.5-72165.4000112.7P75 L78 L95 A96 K101 D102 F103P75-L99 HydrophobicContact CB-CD2 4.45Å; L78-L99 HydrophobicContact CB-CD1 4Å; L78-L99 HydrophobicContact CD2-CD1 3.88Å; L78-L99 HydrophobicContact CD2-CD2 3.87Å; L78-L99 HydrophobicContact CG-CD1 3.57Å; L78-L99 HydrophobicContact CG-CD2 4.37Å; L95-L99 HydrophobicContact CD1-CD1 4.09Å; L95-L99 HydrophobicContact CD1-CG 4.23Å; L95-L99 HydrophobicContact CG-CD1 3.93Å; L95-L99 WeakPolarHBondContact O-CB 3.45Å; L95-L99 WeakPolarHBondContact O-CD1 3.39Å; L95-L99 VanDerWaalsContact O-CG 3.25Å; L95-L99 WeakPolarHBondContact O-CG 3.15Å; L95-L99 PolarHBondContact O-N 3.49Å; A96-L99 PolarHBondContact O-N 3.03Å; L99-K101 VanDerWaalsContact C-N 3.34Å; L99-D102 PolarHBondContact O-N 3.24Å; L99-F103 PolarHBondContact O-N 2.88Å
100Y97.4Very high95.6Very high0 Ų045.5 Ų45.50%023%0.234CC..Hα-helixtrans-66.9-36.6173.7-70.5-47.1000112.1A76 Y80 A96 D102 F103 F104 A188 D191 I192 L195A76-Y100 HydrophobicContact CB-CD1 4.21Å; A76-Y100 HydrophobicContact CB-CE1 4.11Å; A76-Y100 WeakPolarHBondContact O-CE1 3.48Å; Y80-Y100 VanDerWaalsContact CA-OH 3.24Å; Y80-Y100 WeakPolarHBondContact CA-OH 3.16Å; Y80-Y100 PolarHBondContact N-OH 3.48Å; A96-Y100 WeakPolarHBondContact O-CD2 3.41Å; A96-Y100 PolarHBondContact O-N 3.43Å; Y100-D102 VanDerWaalsContact C-N 3.34Å; Y100-F103 WeakPolarHBondContact O-CB 3.26Å; Y100-F103 PolarHBondContact O-N 3.09Å; Y100-F104 WeakPolarHBondContact O-CD2 3.37Å; Y100-F104 PolarHBondContact O-N 3.26Å; Y100-A188 HydrophobicContact CD1-CB 3.36Å; Y100-A188 HydrophobicContact CE1-CB 3.52Å; Y100-A188 HydrophobicContact CG-CB 4.09Å; Y100-D191 HydrophobicContact CE2-CB 3.59Å; Y100-D191 PolarHBondContact OH-OD2 3.27Å; Y100-I192 HydrophobicContact CD2-CG1 3.94Å; Y100-I192 HydrophobicContact CG-CD1 4.47Å; Y100-I192 HydrophobicContact CG-CG1 4.14Å; Y100-L195 HydrophobicContact CD2-CD1 4.4Å; Y100-L195 HydrophobicContact CE2-CD1 3.96Å
101K95.6Very high95.6Very high143 Ų14345.2 Ų45.262%0.62224%0.242SC*.Hα-helixtrans-62-43.1173.4-174.3179.9179-179.60111.5L97 S98 L99 F104 K105L97-K101 WeakPolarHBondContact O-CB 3.34Å; L97-K101 PolarHBondContact O-N 3.4Å; S98-K101 WeakPolarHBondContact O-CB 3.28Å; S98-K101 PolarHBondContact O-N 2.87Å; L99-K101 VanDerWaalsContact C-N 3.34Å; K101-F104 PolarHBondContact O-N 2.83Å; K101-K105 WeakPolarHBondContact O-CB 3.37Å; K101-K105 PolarHBondContact O-N 3.44Å
102D95.1Very high95.6Very high90 Ų9043.8 Ų43.848%0.48123%0.231SC..Hα-helixtrans-64-41.5176.5-68-20.6000111.4S98 L99 Y100 K105 L106S98-D102 PolarHBondContact O-N 3.25Å; L99-D102 PolarHBondContact O-N 3.24Å; Y100-D102 VanDerWaalsContact C-N 3.34Å; D102-K105 PolarHBondContact O-N 3.26Å; D102-L106 WeakPolarHBondContact O-CB 3.49Å; D102-L106 PolarHBondContact O-N 3.14Å
103F97.1Very high95.5Very high0 Ų049.6 Ų49.60%026%0.261CS..Hα-helixtrans-58.8-48.9173.6172.4-124.8000112.5I72 C73 P75 A76 L99 Y100 K105 L106 C107 V181 W184 L185 A188I72-F103 HydrophobicContact CG2-CD2 4.29Å; I72-F103 HydrophobicContact CG2-CE2 4Å; I72-F103 WeakPolarHBondContact O-CD2 3.36Å; I72-F103 WeakPolarHBondContact O-CE2 3.38Å; C73-F103 HydrophobicContact CB-CE2 4.32Å; P75-F103 HydrophobicContact CB-CB 4.17Å; A76-F103 HydrophobicContact CB-CB 4.3Å; A76-F103 HydrophobicContact CB-CD1 3.61Å; A76-F103 HydrophobicContact CB-CD2 4.11Å; A76-F103 HydrophobicContact CB-CE1 3.81Å; A76-F103 HydrophobicContact CB-CE2 4.3Å; A76-F103 HydrophobicContact CB-CG 3.76Å; A76-F103 HydrophobicContact CB-CZ 4.17Å; L99-F103 PolarHBondContact O-N 2.88Å; Y100-F103 WeakPolarHBondContact O-CB 3.26Å; Y100-F103 PolarHBondContact O-N 3.09Å; F103-K105 VanDerWaalsContact C-N 3.31Å; F103-K105 PolarHBondContact O-N 3.33Å; F103-L106 PolarHBondContact O-N 2.99Å; F103-C107 WeakPolarHBondContact CE2-SG 3.5Å; F103-C107 PolarHBondContact O-N 3.31Å; F103-C107 PolarHBondContact O-SG 2.99Å; F103-C107 VanDerWaalsContact O-SG 3.39Å; F103-V181 HydrophobicContact CE2-CG1 4.14Å; F103-V181 HydrophobicContact CZ-CG1 4.17Å; F103-W184 HydrophobicContact CE1-CB 4.18Å; F103-W184 HydrophobicContact CZ-CB 3.83Å; F103-L185 HydrophobicContact CD1-CD2 4.23Å; F103-L185 HydrophobicContact CE1-CB 4.43Å; F103-L185 HydrophobicContact CE1-CD2 3.65Å; F103-L185 HydrophobicContact CE1-CG 3.86Å; F103-L185 HydrophobicContact CZ-CD2 4.07Å; F103-L185 HydrophobicContact CZ-CG 3.93Å; F103-A188 HydrophobicContact CD1-CB 4.16Å; F103-A188 HydrophobicContact CE1-CB 4.24Å
104F96.3Very high95.4Very high2 Ų252.7 Ų52.71%0.00927%0.274CS..Hα-helixtrans-64.9-39.6180-84.5-125.7000111.6Y100 K101 C107 S108 F114 V118 L120 L185 A188 Q189 I192Y100-F104 WeakPolarHBondContact O-CD2 3.37Å; Y100-F104 PolarHBondContact O-N 3.26Å; K101-F104 PolarHBondContact O-N 2.83Å; F104-C107 PolarHBondContact O-N 3.4Å; F104-S108 WeakPolarHBondContact O-CB 3.4Å; F104-S108 PolarHBondContact O-N 3.32Å; F104-F114 AromaticContact CD1-CE1 3.68Å; F104-F114 HydrophobicContact CD1-CE1 3.68Å; F104-F114 HydrophobicContact CD1-CZ 4.5Å; F104-F114 HydrophobicContact CE1-CE1 4.07Å; F104-F114 HydrophobicContact CG-CE1 4.32Å; F104-V118 HydrophobicContact CE1-CG1 3.6Å; F104-V118 HydrophobicContact CZ-CG1 3.8Å; F104-L120 HydrophobicContact CB-CD1 3.51Å; F104-L120 HydrophobicContact CD1-CB 4.15Å; F104-L120 HydrophobicContact CD1-CD1 4.04Å; F104-L120 HydrophobicContact CG-CD1 4.15Å; F104-L185 HydrophobicContact CD1-CD2 4.42Å; F104-L185 HydrophobicContact CD2-CD2 4.06Å; F104-L185 HydrophobicContact CE1-CD2 4.35Å; F104-L185 HydrophobicContact CE2-CD2 4.02Å; F104-L185 HydrophobicContact CG-CD2 4.27Å; F104-L185 HydrophobicContact CZ-CD2 4.16Å; F104-A188 HydrophobicContact CE2-CB 3.69Å; F104-A188 HydrophobicContact CZ-CB 4.44Å; F104-Q189 VanDerWaalsContact CE1-OE1 3.23Å; F104-Q189 HydrophobicContact CZ-CB 4.06Å; F104-I192 HydrophobicContact CD2-CD1 4.45Å; F104-I192 HydrophobicContact CE2-CD1 3.91Å; F104-I192 HydrophobicContact CZ-CD1 4.05Å
105K93.9Very high95.3Very high112 Ų11246.1 Ų46.149%0.48725%0.251SS..Hα-helixtrans-61.8-46.3175.1-175.4-178.5175.8-177.20110.8K101 D102 F103 C107 S108 D109K101-K105 WeakPolarHBondContact O-CB 3.37Å; K101-K105 PolarHBondContact O-N 3.44Å; D102-K105 PolarHBondContact O-N 3.26Å; F103-K105 VanDerWaalsContact C-N 3.31Å; F103-K105 PolarHBondContact O-N 3.33Å; K105-C107 VanDerWaalsContact C-N 3.35Å; K105-C107 PolarHBondContact O-N 2.96Å; K105-S108 WeakPolarHBondContact O-CB 3.28Å; K105-S108 PolarHBondContact O-N 3.03Å; K105-S108 VanDerWaalsContact O-N 3.11Å; K105-D109 WeakPolarHBondContact O-CB 3.4Å; K105-D109 VanDerWaalsContact O-CG 3.24Å; K105-D109 PolarHBondContact O-N 3.29Å
106L94.3Very high95.1Very high33 Ų3348 Ų4817%0.17326%0.261CS..Hα-helixtrans-59.5-45.2176.8-173.564.2000111.4F55 I72 D102 F103 S108 D109 Y110F55-L106 HydrophobicContact CB-CD1 4.39Å; F55-L106 HydrophobicContact CD2-CD2 4.34Å; F55-L106 HydrophobicContact CE2-CD2 4.35Å; F55-L106 HydrophobicContact CG-CD1 4.37Å; I72-L106 HydrophobicContact CB-CD2 4.33Å; I72-L106 HydrophobicContact CG1-CD2 4.46Å; I72-L106 HydrophobicContact CG2-CD2 3.89Å; I72-L106 HydrophobicContact CG2-CG 4.11Å; D102-L106 WeakPolarHBondContact O-CB 3.49Å; D102-L106 PolarHBondContact O-N 3.14Å; F103-L106 PolarHBondContact O-N 2.99Å; L106-S108 VanDerWaalsContact C-N 3.31Å; L106-S108 PolarHBondContact O-N 3.31Å; L106-D109 PolarHBondContact O-N 3.17Å; L106-Y110 HydrophobicContact CD1-CD2 3.72Å; L106-Y110 HydrophobicContact CD1-CE2 3.51Å; L106-Y110 HydrophobicContact CG-CD2 4.31Å; L106-Y110 VanDerWaalsContact O-CD2 3.3Å; L106-Y110 WeakPolarHBondContact O-CD2 3.44Å; L106-Y110 PolarHBondContact O-N 2.88Å; L106-Y110 VanDerWaalsContact O-N 3.1Å
107C95.7Very high94.7Very high0 Ų049 Ų490%027%0.272CS..Hα-helixtrans-60.1-40.1174.1-72.50000112.6F103 F104 K105 G111 V112 F114 L185F103-C107 WeakPolarHBondContact CE2-SG 3.5Å; F103-C107 PolarHBondContact O-N 3.31Å; F103-C107 PolarHBondContact O-SG 2.99Å; F103-C107 VanDerWaalsContact O-SG 3.39Å; F104-C107 PolarHBondContact O-N 3.4Å; K105-C107 VanDerWaalsContact C-N 3.35Å; K105-C107 PolarHBondContact O-N 2.96Å; C107-G111 PolarHBondContact O-N 2.86Å; C107-V112 HydrophobicContact CB-CB 4.01Å; C107-V112 HydrophobicContact CB-CG2 4.28Å; C107-V112 WeakPolarHBondContact O-CB 3.03Å; C107-V112 PolarHBondContact O-N 3.37Å; C107-F114 HydrophobicContact CB-CE2 4.1Å; C107-F114 HydrophobicContact CB-CZ 3.89Å; C107-L185 HydrophobicContact CB-CD1 4.42Å; C107-L185 HydrophobicContact CB-CD2 4.2Å
108S93.8Very high94.5Very high65 Ų6548.1 Ų48.146%0.45527%0.268SS..Hα-helixtrans-68.3-44.4177.7-1720000112.3F104 K105 L106 Y110 G111F104-S108 WeakPolarHBondContact O-CB 3.4Å; F104-S108 PolarHBondContact O-N 3.32Å; K105-S108 WeakPolarHBondContact O-CB 3.28Å; K105-S108 PolarHBondContact O-N 3.03Å; K105-S108 VanDerWaalsContact O-N 3.11Å; L106-S108 VanDerWaalsContact C-N 3.31Å; L106-S108 PolarHBondContact O-N 3.31Å; S108-Y110 VanDerWaalsContact C-N 3.29Å; S108-Y110 PolarHBondContact O-N 3.41Å; S108-G111 PolarHBondContact O-N 2.98Å; S108-G111 VanDerWaalsContact O-N 3.16Å
109D93.4Very high94Very high78 Ų7847.8 Ų47.842%0.41727%0.266SS..Hα-helixtrans-63.6-37.3-178.4-69.7-11.7000110.6K105 L106K105-D109 WeakPolarHBondContact O-CB 3.4Å; K105-D109 VanDerWaalsContact O-CG 3.24Å; K105-D109 PolarHBondContact O-N 3.29Å; L106-D109 PolarHBondContact O-N 3.17Å
110Y95Very high92.9Very high8 Ų851.2 Ų51.23%0.03128%0.284CS..THydrogen-bonded Turntrans-83.9-5.7177.2-80.8-100.7000114.3F55 S56 E59 L61 L64 L106 S108F55-Y110 WeakPolarHBondContact CA-OH 3.2Å; F55-Y110 HydrophobicContact CB-CE2 4.29Å; F55-Y110 WeakPolarHBondContact CB-OH 3.43Å; F55-Y110 HydrophobicContact CD1-CE1 4.08Å; F55-Y110 HydrophobicContact CD1-CE2 4.24Å; F55-Y110 AromaticContact CD1-CZ 3.72Å; S56-Y110 PolarHBondContact N-OH 3.49Å; S56-Y110 PolarHBondContact O-OH 3.34Å; E59-Y110 HydrophobicContact CB-CE1 3.84Å; E59-Y110 PolarHBondContact OE2-OH 2.95Å; L61-Y110 WeakPolarHBondContact CB-O 3.03Å; L61-Y110 PolarHBondContact N-O 2.84Å; L64-Y110 HydrophobicContact CD1-CD1 3.52Å; L64-Y110 HydrophobicContact CD1-CE1 3.55Å; L64-Y110 HydrophobicContact CD2-CE1 3.95Å; L64-Y110 HydrophobicContact CG-CD1 4.04Å; L64-Y110 HydrophobicContact CG-CE1 3.76Å; L106-Y110 HydrophobicContact CD1-CD2 3.72Å; L106-Y110 HydrophobicContact CD1-CE2 3.51Å; L106-Y110 HydrophobicContact CG-CD2 4.31Å; L106-Y110 VanDerWaalsContact O-CD2 3.3Å; L106-Y110 WeakPolarHBondContact O-CD2 3.44Å; L106-Y110 PolarHBondContact O-N 2.88Å; L106-Y110 VanDerWaalsContact O-N 3.1Å; S108-Y110 VanDerWaalsContact C-N 3.29Å; S108-Y110 PolarHBondContact O-N 3.41Å
111G93Very high91.3Very high50 Ų5059.7 Ų59.752%0.51532%0.323SS..THydrogen-bonded Turntrans73.527.9-179.200000114.5C107 S108 L113C107-G111 PolarHBondContact O-N 2.86Å; S108-G111 PolarHBondContact O-N 2.98Å; S108-G111 VanDerWaalsContact O-N 3.16Å; G111-L113 PolarHBondContact O-N 2.88Å
112V94.3Very high89.6Confident6 Ų659 Ų594%0.03632%0.32CS..PPolyproline II helixtrans-63.6129.8172.71790000109.2L61 C107 F114 V181 L185L61-V112 HydrophobicContact CD1-CG2 4.28Å; C107-V112 HydrophobicContact CB-CB 4.01Å; C107-V112 HydrophobicContact CB-CG2 4.28Å; C107-V112 WeakPolarHBondContact O-CB 3.03Å; C107-V112 PolarHBondContact O-N 3.37Å; V112-F114 WeakPolarHBondContact O-CD2 3.41Å; V112-F114 WeakPolarHBondContact O-CE2 3.42Å; V112-F114 PolarHBondContact O-N 2.81Å; V112-V181 HydrophobicContact CG1-CG1 4.03Å; V112-L185 HydrophobicContact CG1-CD1 4.11Å
113L93.3Very high87.6Confident135 Ų13556.4 Ų56.471%0.70731%0.309SS*.PPolyproline II helixtrans-69.3122.9177.4-63.7176.6000110.9G111 Q182G111-L113 PolarHBondContact O-N 2.88Å; L113-Q182 PolarHBondContact O-NE2 3.31Å; L113-Q182 VanDerWaalsContact O-NE2 3.14Å
114F94.1Very high85.4Confident67 Ų6759.2 Ų59.229%0.29432%0.324SS..PPolyproline II helixtrans-78130.7-180-78.3-112.4000110.5F104 C107 V112 V118 L185F104-F114 AromaticContact CD1-CE1 3.68Å; F104-F114 HydrophobicContact CD1-CE1 3.68Å; F104-F114 HydrophobicContact CD1-CZ 4.5Å; F104-F114 HydrophobicContact CE1-CE1 4.07Å; F104-F114 HydrophobicContact CG-CE1 4.32Å; C107-F114 HydrophobicContact CB-CE2 4.1Å; C107-F114 HydrophobicContact CB-CZ 3.89Å; V112-F114 WeakPolarHBondContact O-CD2 3.41Å; V112-F114 WeakPolarHBondContact O-CE2 3.42Å; V112-F114 PolarHBondContact O-N 2.81Å; F114-V118 HydrophobicContact CD1-CB 4.39Å; F114-V118 HydrophobicContact CD1-CG1 3.76Å; F114-V118 HydrophobicContact CE1-CG1 4.39Å; F114-L185 HydrophobicContact CD1-CD1 4.26Å; F114-L185 HydrophobicContact CD1-CD2 4.13Å; F114-L185 HydrophobicContact CE1-CD1 4.39Å; F114-L185 HydrophobicContact CE1-CD2 3.68Å; F114-L185 HydrophobicContact CG-CD1 4.37Å; F114-L185 HydrophobicContact CZ-CD2 4.16Å
115P94.6Very high83.2Confident12 Ų1265.4 Ų65.48%0.07835%0.347CS..PPolyproline II helixtrans-64.2157.8175.5-18.630.4000112.5G117 V118 S148 L152 Q182 L185P115-G117 PolarHBondContact O-N 3.06Å; P115-V118 HydrophobicContact CB-CG2 4.11Å; P115-V118 HydrophobicContact CG-CG2 4.31Å; P115-V118 WeakPolarHBondContact O-CB 3.35Å; P115-V118 PolarHBondContact O-N 3.35Å; P115-S148 WeakPolarHBondContact CB-OG 3.41Å; P115-L152 HydrophobicContact CB-CD1 4.18Å; P115-L152 HydrophobicContact CG-CD1 3.95Å; P115-Q182 HydrophobicContact CG-CB 3.93Å; P115-Q182 HydrophobicContact CG-CG 4.31Å; P115-Q182 WeakPolarHBondContact CG-O 3.42Å; P115-L185 HydrophobicContact CG-CB 4.33Å
116D91.7Very high81.1Confident113 Ų11364.7 Ų64.760%0.60435%0.348SS*.THydrogen-bonded Turntrans-55.3131.8179-75.5-27.2000112.2V118 K144 R145D116-V118 VanDerWaalsContact C-N 3.26Å; D116-V118 PolarHBondContact O-N 3.4Å; D116-K144 HydrophobicContact CB-CB 4.3Å; D116-R145 WeakPolarHBondContact O-CA 3.24Å; D116-R145 PolarHBondContact O-N 3.28Å
117G88.5Confident79.1Confident22 Ų2269.2 Ų69.223%0.22738%0.382CS..THydrogen-bonded Turntrans77.95.518000000114.8P115 R145P115-G117 PolarHBondContact O-N 3.06Å; G117-R145 VanDerWaalsContact O-CZ 3.26Å; G117-R145 PolarHBondContact O-NE 3.25Å; G117-R145 PolarHBondContact O-NH2 3.39Å
118V92.2Very high77.3Confident13 Ų1371.7 Ų71.78%0.07941%0.408CS..  trans-96.7133.6167-174.70000109F104 F114 P115 D116 R145 L185 Q189F104-V118 HydrophobicContact CE1-CG1 3.6Å; F104-V118 HydrophobicContact CZ-CG1 3.8Å; F114-V118 HydrophobicContact CD1-CB 4.39Å; F114-V118 HydrophobicContact CD1-CG1 3.76Å; F114-V118 HydrophobicContact CE1-CG1 4.39Å; P115-V118 HydrophobicContact CB-CG2 4.11Å; P115-V118 HydrophobicContact CG-CG2 4.31Å; P115-V118 WeakPolarHBondContact O-CB 3.35Å; P115-V118 PolarHBondContact O-N 3.35Å; D116-V118 VanDerWaalsContact C-N 3.26Å; D116-V118 PolarHBondContact O-N 3.4Å; V118-R145 HydrophobicContact CG2-CG 4.11Å; V118-L185 HydrophobicContact CG1-CB 4.22Å; V118-Q189 HydrophobicContact CG1-CB 4.16Å; V118-Q189 HydrophobicContact CG1-CG 4.42Å; V118-Q189 HydrophobicContact CG2-CB 4.47Å
119S87.6Confident76Confident44 Ų4478 Ų7831%0.30843%0.43SS..  trans-156.8131.3179.2-177.50000111.1E121 Q189S119-E121 VanDerWaalsContact C-N 3.34Å; S119-E121 PolarHBondContact O-N 3.44Å; S119-Q189 PolarHBondContact O-OE1 3.42Å
120L73.9Confident75Confident83 Ų8377.4 Ų77.444%0.43543%0.431SS..SBendtrans-61.6-38.5179.117866.3000113F104F104-L120 HydrophobicContact CB-CD1 3.51Å; F104-L120 HydrophobicContact CD1-CB 4.15Å; F104-L120 HydrophobicContact CD1-CD1 4.04Å; F104-L120 HydrophobicContact CG-CD1 4.15Å
121E65Low74.4Confident178 Ų17879.4 Ų79.483%0.83245%0.446SS*.SBendtrans-92.8-27.3-169.9-61.2-158.4155.900114.1S119 S123S119-E121 VanDerWaalsContact C-N 3.34Å; S119-E121 PolarHBondContact O-N 3.44Å; E121-S123 VanDerWaalsContact C-N 3.28Å; E121-S123 PolarHBondContact O-N 2.67Å
122K57.8Low73.8Confident127 Ų12784.6 Ų84.655%0.55246%0.459SS*.  trans-88.562.4-176.2-62-172.5-178.4-176.20111.5N124K122-N124 PolarHBondContact O-N 3.25Å; K122-N124 PolarHBondContact O-OD1 3.25Å
123S53Low73.4Confident36 Ų3688.5 Ų88.525%0.25249%0.487SS..  trans-68.6111.8152.2-1060000106.4E121 R125 Q196E121-S123 VanDerWaalsContact C-N 3.28Å; E121-S123 PolarHBondContact O-N 2.67Å; S123-R125 PolarHBondContact O-N 2.63Å; S123-Q196 PolarHBondContact OG-NE2 3.01Å; S123-Q196 PolarHBondContact OG-OE1 3.14Å
124N51.1Low72.9Confident59 Ų5984.3 Ų84.332%0.31647%0.465SS..  trans-58.737.5-171.9-74.8-0.1000116.5K122 I126 D138K122-N124 PolarHBondContact O-N 3.25Å; K122-N124 PolarHBondContact O-OD1 3.25Å; N124-I126 PolarHBondContact O-N 3.19Å; N124-D138 VanDerWaalsContact CG-OD1 3.31Å; N124-D138 PolarHBondContact ND2-OD1 2.92Å; N124-D138 PolarHBondContact ND2-OD2 3.21Å
125R51.8Low72.6Confident132 Ų13285.2 Ų85.250%0.49847%0.472SS..  trans-94.977.1175.4-65.9-174175.9-164.3-2.2108.9S123 S127 Q196S123-R125 PolarHBondContact O-N 2.63Å; R125-S127 VanDerWaalsContact C-N 3.35Å; R125-S127 PolarHBondContact O-N 2.84Å; R125-S127 VanDerWaalsContact O-N 3.08Å; R125-Q196 VanDerWaalsContact NH2-C 3.28Å; R125-Q196 PolarHBondContact NH2-O 3.35Å
126I49Very low72.3Confident97 Ų9787.5 Ų87.550%0.49749%0.492SS..  trans-64109.6151-60.9173.8000104.5N124 G128 D134N124-I126 PolarHBondContact O-N 3.19Å; I126-G128 PolarHBondContact O-N 3.49Å; I126-D134 HydrophobicContact CD1-CB 3.8Å; I126-D134 WeakPolarHBondContact CD1-OD2 3.47Å
127S51.7Low72.1Confident128 Ų12886.1 Ų86.190%0.89548%0.482SS*.SBendtrans-62.984.2172.8172.10000108.6R125R125-S127 VanDerWaalsContact C-N 3.35Å; R125-S127 PolarHBondContact O-N 2.84Å; R125-S127 VanDerWaalsContact O-N 3.08Å
128G58.3Low72.1Confident53 Ų5387.1 Ų87.155%0.54648%0.482SS..SBendtrans162173.4-175.500000111.9I126 P130I126-G128 PolarHBondContact O-N 3.49Å; G128-P130 WeakPolarHBondContact O-CD 3.45Å
129Q66.9Low72Confident196 Ų19694.7 Ų94.792%0.91651%0.509SS*.SBendtrans-64.2118.5168-78.8-173.3-41.800108.2S131Q129-S131 PolarHBondContact O-N 3.41Å
130P72.3Confident72.2Confident66 Ų6697 Ų9743%0.42952%0.515SS..PPolyproline II helixtrans-62.1133.4-179.925.3-32.7000109.1G128 D134 L135G128-P130 WeakPolarHBondContact O-CD 3.45Å; P130-D134 HydrophobicContact CB-CB 4.31Å; P130-L135 HydrophobicContact CB-CD2 4Å; P130-L135 HydrophobicContact CB-CG 4.15Å; P130-L135 HydrophobicContact CG-CD2 3.84Å; P130-L135 HydrophobicContact CG-CG 4.26Å
131S81.5Confident73.2Confident51 Ų5194.3 Ų94.336%0.35750%0.502SS..PPolyproline II helixtrans-68.8160.9175.476.80000110.3Q129 S133 D134 L135Q129-S131 PolarHBondContact O-N 3.41Å; S131-S133 PolarHBondContact O-N 3.2Å; S131-S133 PolarHBondContact OG-N 3.47Å; S131-D134 VanDerWaalsContact CB-OD2 3.23Å; S131-D134 WeakPolarHBondContact CB-OD2 3.1Å; S131-D134 PolarHBondContact N-OD2 3.47Å; S131-D134 WeakPolarHBondContact O-CB 3.3Å; S131-D134 PolarHBondContact O-N 3.29Å; S131-D134 PolarHBondContact OG-N 3.09Å; S131-D134 PolarHBondContact OG-OD1 2.85Å; S131-D134 PolarHBondContact OG-OD2 2.9Å; S131-L135 PolarHBondContact O-N 3.27Å
132M81Confident74.5Confident159 Ų15992.5 Ų92.578%0.78349%0.491SS*.Hα-helixtrans-57.3-31.4174.6-73.3-61-6400112.4L135 A136M132-L135 HydrophobicContact SD-CD1 4.34Å; M132-A136 WeakPolarHBondContact O-CB 3.33Å; M132-A136 PolarHBondContact O-N 3.37Å; M132-A136 VanDerWaalsContact O-N 3.14Å
133S85.4Confident76.3Confident88 Ų8889.2 Ų89.262%0.61548%0.479SS*.Hα-helixtrans-69-39.6175.3-170.40000111.9S131 A136 H137S131-S133 PolarHBondContact O-N 3.2Å; S131-S133 PolarHBondContact OG-N 3.47Å; S133-A136 PolarHBondContact O-N 2.82Å; S133-H137 WeakPolarHBondContact O-CB 3.34Å; S133-H137 PolarHBondContact O-N 3.42Å
134D84.6Confident78.3Confident47 Ų4792 Ų9225%0.25149%0.487SS..Hα-helixtrans-66.8-42.7178.5-55.1-39.3000111I126 P130 S131 A136 H137 D138I126-D134 HydrophobicContact CD1-CB 3.8Å; I126-D134 WeakPolarHBondContact CD1-OD2 3.47Å; P130-D134 HydrophobicContact CB-CB 4.31Å; S131-D134 VanDerWaalsContact CB-OD2 3.23Å; S131-D134 WeakPolarHBondContact CB-OD2 3.1Å; S131-D134 PolarHBondContact N-OD2 3.47Å; S131-D134 WeakPolarHBondContact O-CB 3.3Å; S131-D134 PolarHBondContact O-N 3.29Å; S131-D134 PolarHBondContact OG-N 3.09Å; S131-D134 PolarHBondContact OG-OD1 2.85Å; S131-D134 PolarHBondContact OG-OD2 2.9Å; D134-A136 VanDerWaalsContact C-N 3.31Å; D134-A136 PolarHBondContact O-N 3.39Å; D134-H137 WeakPolarHBondContact O-CB 3.48Å; D134-H137 PolarHBondContact O-N 2.9Å; D134-D138 WeakPolarHBondContact O-CB 3.48Å; D134-D138 PolarHBondContact O-N 3.33Å
135L86Confident80.4Confident85 Ų8589.5 Ų89.545%0.44547%0.473SS..Hα-helixtrans-62.2-38.7175.5-66.6175.5000112.2P130 S131 M132 R139P130-L135 HydrophobicContact CB-CD2 4Å; P130-L135 HydrophobicContact CB-CG 4.15Å; P130-L135 HydrophobicContact CG-CD2 3.84Å; P130-L135 HydrophobicContact CG-CG 4.26Å; S131-L135 PolarHBondContact O-N 3.27Å; M132-L135 HydrophobicContact SD-CD1 4.34Å; L135-R139 WeakPolarHBondContact O-CB 3.31Å; L135-R139 PolarHBondContact O-N 3.33Å
136A88.4Confident82.6Confident60 Ų6090.5 Ų90.550%0.49648%0.478SS..Hα-helixtrans-66-43175.200000111.4M132 S133 D134 R139 E140M132-A136 WeakPolarHBondContact O-CB 3.33Å; M132-A136 PolarHBondContact O-N 3.37Å; M132-A136 VanDerWaalsContact O-N 3.14Å; S133-A136 PolarHBondContact O-N 2.82Å; D134-A136 VanDerWaalsContact C-N 3.31Å; D134-A136 PolarHBondContact O-N 3.39Å; A136-R139 PolarHBondContact O-N 3.35Å; A136-E140 PolarHBondContact O-N 3.41Å
137H88.5Confident84.9Confident84 Ų8492.7 Ų92.739%0.38948%0.484SS..Hα-helixtrans-62.6-48176.4-17666000111.9S133 D134 R139 E140 V141S133-H137 WeakPolarHBondContact O-CB 3.34Å; S133-H137 PolarHBondContact O-N 3.42Å; D134-H137 WeakPolarHBondContact O-CB 3.48Å; D134-H137 PolarHBondContact O-N 2.9Å; H137-R139 VanDerWaalsContact C-N 3.29Å; H137-R139 PolarHBondContact O-N 3.17Å; H137-E140 WeakPolarHBondContact O-CB 3.16Å; H137-E140 PolarHBondContact O-N 3.09Å; H137-V141 WeakPolarHBondContact O-CG2 3.4Å; H137-V141 PolarHBondContact O-N 2.96Å
138D87.9Confident87Confident44 Ų4487.7 Ų87.724%0.23545%0.449CS..Hα-helixtrans-59.7-41.6178.2-80.12.5000111.9N124 D134 V141 K142N124-D138 VanDerWaalsContact CG-OD1 3.31Å; N124-D138 PolarHBondContact ND2-OD1 2.92Å; N124-D138 PolarHBondContact ND2-OD2 3.21Å; D134-D138 WeakPolarHBondContact O-CB 3.48Å; D134-D138 PolarHBondContact O-N 3.33Å; D138-V141 PolarHBondContact O-N 3.24Å; D138-K142 WeakPolarHBondContact O-CB 3.41Å; D138-K142 PolarHBondContact O-N 3.36Å
139R90.5Very high88.8Confident171 Ų17187.7 Ų87.765%0.64543%0.434SS*.Hα-helixtrans-61.4-44.5173.6-176.6179.7179.2-78.5-2.6111.2L135 A136 H137 K142 I143L135-R139 WeakPolarHBondContact O-CB 3.31Å; L135-R139 PolarHBondContact O-N 3.33Å; A136-R139 PolarHBondContact O-N 3.35Å; H137-R139 VanDerWaalsContact C-N 3.29Å; H137-R139 PolarHBondContact O-N 3.17Å; R139-K142 PolarHBondContact O-N 3.18Å; R139-I143 HydrophobicContact CG-CD1 3.96Å; R139-I143 VanDerWaalsContact O-CG1 3.24Å; R139-I143 WeakPolarHBondContact O-CG1 3.44Å; R139-I143 PolarHBondContact O-N 3.25Å
140E92.6Very high90.3Very high93 Ų9384.1 Ų84.144%0.43542%0.415SS..Hα-helixtrans-63.5-46.1178.4-167.7-169159.700111.8A136 H137 K142 I143 K144A136-E140 PolarHBondContact O-N 3.41Å; H137-E140 WeakPolarHBondContact O-CB 3.16Å; H137-E140 PolarHBondContact O-N 3.09Å; E140-K142 VanDerWaalsContact C-N 3.34Å; E140-K142 PolarHBondContact O-N 2.92Å; E140-I143 PolarHBondContact O-N 2.68Å; E140-K144 WeakPolarHBondContact O-CG 3.23Å; E140-K144 PolarHBondContact O-N 2.8Å; E140-K144 WeakPolarHBondContact OE1-CE 3.18Å; E140-K144 IonicContact OE1-NZ 2.9Å; E140-K144 PolarHBondContact OE1-NZ 2.88Å
141V93.1Very high91.5Very high26 Ų2683.7 Ų83.716%0.15842%0.417CS..Hα-helixtrans-59.1-45.3176.5170.60000110.8H137 D138 I143 K144 R145H137-V141 WeakPolarHBondContact O-CG2 3.4Å; H137-V141 PolarHBondContact O-N 2.96Å; D138-V141 PolarHBondContact O-N 3.24Å; V141-I143 VanDerWaalsContact C-N 3.35Å; V141-I143 PolarHBondContact O-N 2.63Å; V141-K144 PolarHBondContact O-N 2.82Å; V141-R145 PolarHBondContact O-N 3.44Å
142K93.6Very high92.3Very high140 Ų14082.1 Ų82.161%0.60941%0.405SS*.Hα-helixtrans-62.4-40.3175.9-175.4173.6-178.1174.70112.2D138 R139 E140 R145 Y146D138-K142 WeakPolarHBondContact O-CB 3.41Å; D138-K142 PolarHBondContact O-N 3.36Å; R139-K142 PolarHBondContact O-N 3.18Å; E140-K142 VanDerWaalsContact C-N 3.34Å; E140-K142 PolarHBondContact O-N 2.92Å; K142-R145 PolarHBondContact O-N 2.91Å; K142-Y146 WeakPolarHBondContact O-CB 3.43Å; K142-Y146 PolarHBondContact O-N 2.69Å
143I94.8Very high93Very high59 Ų5978 Ų7830%0.30338%0.383SS..Hα-helixtrans-65.3-43.2176.7-72167.2000111R139 E140 V141 R145 Y146 K147R139-I143 HydrophobicContact CG-CD1 3.96Å; R139-I143 VanDerWaalsContact O-CG1 3.24Å; R139-I143 WeakPolarHBondContact O-CG1 3.44Å; R139-I143 PolarHBondContact O-N 3.25Å; E140-I143 PolarHBondContact O-N 2.68Å; V141-I143 VanDerWaalsContact C-N 3.35Å; V141-I143 PolarHBondContact O-N 2.63Å; I143-R145 VanDerWaalsContact C-N 3.34Å; I143-Y146 PolarHBondContact O-N 2.94Å; I143-K147 HydrophobicContact CG2-CD 4.27Å; I143-K147 WeakPolarHBondContact O-CG 3.2Å; I143-K147 PolarHBondContact O-N 2.93Å
144K95.6Very high93.5Very high94 Ų9478.2 Ų78.241%0.40938%0.375SS..Hα-helixtrans-59.4-46.6176.1-75.3177.9-178.1168.40111D116 E140 V141 Y146 K147 S148D116-K144 HydrophobicContact CB-CB 4.3Å; E140-K144 WeakPolarHBondContact O-CG 3.23Å; E140-K144 PolarHBondContact O-N 2.8Å; E140-K144 WeakPolarHBondContact OE1-CE 3.18Å; E140-K144 IonicContact OE1-NZ 2.9Å; E140-K144 PolarHBondContact OE1-NZ 2.88Å; V141-K144 PolarHBondContact O-N 2.82Å; K144-Y146 PolarHBondContact O-N 3.19Å; K144-K147 PolarHBondContact O-N 3.32Å; K144-S148 WeakPolarHBondContact O-CB 3.43Å; K144-S148 PolarHBondContact O-N 2.71Å
145R95.8Very high94Very high7 Ų781.8 Ų81.83%0.02639%0.385CS..Hα-helixtrans-61.6-44.6176.3-166.6-171-52.7164.52.6113D116 G117 V118 V141 K142 I143 K147 S148 K149 C186 D190 I193D116-R145 WeakPolarHBondContact O-CA 3.24Å; D116-R145 PolarHBondContact O-N 3.28Å; G117-R145 VanDerWaalsContact O-CZ 3.26Å; G117-R145 PolarHBondContact O-NE 3.25Å; G117-R145 PolarHBondContact O-NH2 3.39Å; V118-R145 HydrophobicContact CG2-CG 4.11Å; V141-R145 PolarHBondContact O-N 3.44Å; K142-R145 PolarHBondContact O-N 2.91Å; I143-R145 VanDerWaalsContact C-N 3.34Å; R145-K147 PolarHBondContact O-N 3.4Å; R145-S148 PolarHBondContact O-N 3.08Å; R145-K149 VanDerWaalsContact O-CB 3.31Å; R145-K149 WeakPolarHBondContact O-CB 3.42Å; R145-K149 PolarHBondContact O-N 2.67Å; R145-C186 HydrophobicContact CG-CB 4.24Å; R145-D190 VanDerWaalsContact CD-OD1 3.25Å; R145-D190 WeakPolarHBondContact CD-OD1 3.43Å; R145-D190 IonicContact CZ-OD1 3.52Å; R145-D190 IonicContact NE-OD1 3.26Å; R145-D190 IonicContact NH1-OD1 3.07Å; R145-D190 PolarHBondContact NH1-OD1 3.2Å; R145-I193 VanDerWaalsContact NH1-CD1 3.34Å
146Y96.5Very high94.4Very high153 Ų15378.5 Ų78.560%0.637%0.368SS*.Hα-helixtrans-60.1-44.9176.4175.6-99000111.9K142 I143 K144 K150K142-Y146 WeakPolarHBondContact O-CB 3.43Å; K142-Y146 PolarHBondContact O-N 2.69Å; I143-Y146 PolarHBondContact O-N 2.94Å; K144-Y146 PolarHBondContact O-N 3.19Å; Y146-K150 WeakPolarHBondContact O-CB 3.28Å; Y146-K150 PolarHBondContact O-N 2.98Å
147K97.7Very high94.7Very high143 Ų14382.8 Ų82.862%0.62238%0.377SS*.Hα-helixtrans-62.1-44.5176-73179.9178.8-174.50111.7I143 K144 R145 K150 A151I143-K147 HydrophobicContact CG2-CD 4.27Å; I143-K147 WeakPolarHBondContact O-CG 3.2Å; I143-K147 PolarHBondContact O-N 2.93Å; K144-K147 PolarHBondContact O-N 3.32Å; R145-K147 PolarHBondContact O-N 3.4Å; K147-K150 PolarHBondContact O-N 3.23Å; K147-A151 WeakPolarHBondContact O-CB 3.36Å; K147-A151 PolarHBondContact O-N 2.99Å
148S95.4Very high94.9Very high23 Ų2383.8 Ų83.816%0.16138%0.381CS..Hα-helixtrans-64.2-47.8178.6-168.20000111.6P115 K144 R145 K150 A151 L152P115-S148 WeakPolarHBondContact CB-OG 3.41Å; K144-S148 WeakPolarHBondContact O-CB 3.43Å; K144-S148 PolarHBondContact O-N 2.71Å; R145-S148 PolarHBondContact O-N 3.08Å; S148-K150 VanDerWaalsContact C-N 3.33Å; S148-K150 PolarHBondContact O-N 2.78Å; S148-A151 PolarHBondContact O-N 2.91Å; S148-L152 VanDerWaalsContact O-CG 3.28Å; S148-L152 WeakPolarHBondContact O-CG 3.33Å; S148-L152 PolarHBondContact O-N 3.46Å
149K97.4Very high95Very high53 Ų5382.1 Ų82.123%0.2337%0.372CS..Hα-helixtrans-54.1-48.3173.5-177.2-176.8171.2-177.50111.7R145 A151 L152 E153 C186R145-K149 VanDerWaalsContact O-CB 3.31Å; R145-K149 WeakPolarHBondContact O-CB 3.42Å; R145-K149 PolarHBondContact O-N 2.67Å; K149-A151 PolarHBondContact O-N 3.38Å; K149-L152 PolarHBondContact O-N 3.13Å; K149-E153 WeakPolarHBondContact CE-OE1 3.19Å; K149-E153 WeakPolarHBondContact O-CG 3.25Å; K149-E153 PolarHBondContact O-N 2.72Å; K149-C186 HydrophobicContact CB-CB 3.87Å; K149-C186 HydrophobicContact CD-CB 4.38Å; K149-C186 HydrophobicContact CG-CB 4.1Å
150K97.7Very high94.9Very high120 Ų12075.7 Ų75.752%0.52236%0.355SS..Hα-helixtrans-62.3-42.2179.1-174.8176.2179-178.40112.1Y146 K147 S148 L152 E153 E154Y146-K150 WeakPolarHBondContact O-CB 3.28Å; Y146-K150 PolarHBondContact O-N 2.98Å; K147-K150 PolarHBondContact O-N 3.23Å; S148-K150 VanDerWaalsContact C-N 3.33Å; S148-K150 PolarHBondContact O-N 2.78Å; K150-L152 VanDerWaalsContact C-N 3.33Å; K150-E153 PolarHBondContact O-N 3.29Å; K150-E154 PolarHBondContact O-N 3.28Å
151A97.7Very high94.6Very high57 Ų5774.4 Ų74.447%0.47136%0.357SS..Hα-helixtrans-63.8-39.2176.500000112K147 S148 K149 E154 R155K147-A151 WeakPolarHBondContact O-CB 3.36Å; K147-A151 PolarHBondContact O-N 2.99Å; S148-A151 PolarHBondContact O-N 2.91Å; K149-A151 PolarHBondContact O-N 3.38Å; A151-E154 PolarHBondContact O-N 3.24Å; A151-R155 WeakPolarHBondContact O-CB 3.35Å; A151-R155 PolarHBondContact O-N 3.45Å
152L97.3Very high94.1Very high19 Ų1979.1 Ų79.110%0.09937%0.373CS..Hα-helixtrans-66.8-38.6175.3-68.2166.5000112.2P115 S148 K149 K150 R155 L156 T179 Q182P115-L152 HydrophobicContact CB-CD1 4.18Å; P115-L152 HydrophobicContact CG-CD1 3.95Å; S148-L152 VanDerWaalsContact O-CG 3.28Å; S148-L152 WeakPolarHBondContact O-CG 3.33Å; S148-L152 PolarHBondContact O-N 3.46Å; K149-L152 PolarHBondContact O-N 3.13Å; K150-L152 VanDerWaalsContact C-N 3.33Å; L152-R155 PolarHBondContact O-N 2.98Å; L152-L156 WeakPolarHBondContact O-CB 3.44Å; L152-L156 WeakPolarHBondContact O-CG 3.42Å; L152-L156 PolarHBondContact O-N 3.45Å; L152-T179 HydrophobicContact CB-CG2 4.23Å; L152-T179 HydrophobicContact CD2-CG2 3.69Å; L152-Q182 HydrophobicContact CD1-CB 3.84Å; L152-Q182 HydrophobicContact CD2-CB 3.91Å
153E96.5Very high93.5Very high71 Ų7174.6 Ų74.633%0.33236%0.356SS..Hα-helixtrans-64.5-45.3175-74.817216700111.6K149 K150 R155 L156 E157 K183K149-E153 WeakPolarHBondContact CE-OE1 3.19Å; K149-E153 WeakPolarHBondContact O-CG 3.25Å; K149-E153 PolarHBondContact O-N 2.72Å; K150-E153 PolarHBondContact O-N 3.29Å; E153-R155 VanDerWaalsContact C-N 3.32Å; E153-R155 PolarHBondContact O-N 3.5Å; E153-L156 PolarHBondContact O-N 2.96Å; E153-E157 PolarHBondContact O-N 2.86Å; E153-K183 HydrophobicContact CG-CD 4.05Å; E153-K183 HydrophobicContact CG-CG 4.41Å
154E96.8Very high92.6Very high94 Ų9478.5 Ų78.544%0.43938%0.378SS..Hα-helixtrans-63.5-38.6174.7-171.5-172.3154.800111.8K150 A151 E157 K158K150-E154 PolarHBondContact O-N 3.28Å; A151-E154 PolarHBondContact O-N 3.24Å; E154-E157 PolarHBondContact O-N 3.23Å; E154-K158 WeakPolarHBondContact O-CG 3.46Å; E154-K158 PolarHBondContact O-N 3.36Å; E154-K158 VanDerWaalsContact O-N 3.14Å; E154-K158 WeakPolarHBondContact OE1-CE 3.32Å; E154-K158 IonicContact OE1-NZ 3.65Å; E154-K158 PolarHBondContact OE1-NZ 3.3Å
155R95.1Very high92Very high121 Ų12179 Ų7946%0.45738%0.382SS..Hα-helixtrans-63.8-45.5174.9-168.490.7-175.7146.65110.9A151 L152 E153 E157 K158 L159 E175 T179A151-R155 WeakPolarHBondContact O-CB 3.35Å; A151-R155 PolarHBondContact O-N 3.45Å; L152-R155 PolarHBondContact O-N 2.98Å; E153-R155 VanDerWaalsContact C-N 3.32Å; E153-R155 PolarHBondContact O-N 3.5Å; R155-E157 VanDerWaalsContact C-N 3.34Å; R155-E157 PolarHBondContact O-N 2.85Å; R155-K158 PolarHBondContact O-N 3.25Å; R155-L159 HydrophobicContact CG-CD1 3.92Å; R155-L159 HydrophobicContact CG-CG 4.47Å; R155-L159 WeakPolarHBondContact O-CB 3.38Å; R155-L159 VanDerWaalsContact O-CG 3.28Å; R155-L159 WeakPolarHBondContact O-CG 3.47Å; R155-L159 PolarHBondContact O-N 3.06Å; R155-E175 IonicContact CZ-OE1 2.66Å; R155-E175 IonicContact NE-OE1 2.68Å; R155-E175 PolarHBondContact NE-OE1 2.8Å; R155-E175 IonicContact NH2-OE1 3.29Å; R155-E175 PolarHBondContact NH2-OE1 3.19Å; R155-E175 IonicContact NH2-OE2 2.78Å; R155-E175 PolarHBondContact NH2-OE2 3.17Å; R155-T179 HydrophobicContact CB-CG2 4.01Å; R155-T179 HydrophobicContact CG-CG2 4.06Å
156L94.6Very high91Very high16 Ų1684.5 Ų84.58%0.08442%0.418CS..Hα-helixtrans-60.8-41.4177-83.8166.4000112.3L152 E153 L159 A160 F176 T179 L180 K183L152-L156 WeakPolarHBondContact O-CB 3.44Å; L152-L156 WeakPolarHBondContact O-CG 3.42Å; L152-L156 PolarHBondContact O-N 3.45Å; E153-L156 PolarHBondContact O-N 2.96Å; L156-L159 PolarHBondContact O-N 3.3Å; L156-A160 VanDerWaalsContact O-CB 3.3Å; L156-A160 WeakPolarHBondContact O-CB 3.39Å; L156-A160 PolarHBondContact O-N 2.9Å; L156-F176 HydrophobicContact CD2-CD2 3.78Å; L156-F176 HydrophobicContact CD2-CE2 3.69Å; L156-F176 HydrophobicContact CD2-CG 4.4Å; L156-F176 HydrophobicContact CD2-CZ 4.25Å; L156-T179 HydrophobicContact CD1-CG2 4.36Å; L156-T179 HydrophobicContact CD2-CG2 4.16Å; L156-T179 HydrophobicContact CG-CG2 3.68Å; L156-L180 HydrophobicContact CD2-CB 4.14Å; L156-K183 HydrophobicContact CD1-CB 3.97Å; L156-K183 HydrophobicContact CD1-CD 3.57Å; L156-K183 HydrophobicContact CD1-CG 4.36Å
157E93.9Very high90.2Very high150 Ų15085.7 Ų85.770%0.70143%0.429SS*.Hα-helixtrans-63.3-44.3178-173.8174.5-165.100111.5E153 E154 R155 A160 S161E153-E157 PolarHBondContact O-N 2.86Å; E154-E157 PolarHBondContact O-N 3.23Å; R155-E157 VanDerWaalsContact C-N 3.34Å; R155-E157 PolarHBondContact O-N 2.85Å; E157-A160 PolarHBondContact O-N 2.81Å; E157-S161 PolarHBondContact O-N 2.78Å
158K92.1Very high89.5Confident106 Ų10680.3 Ų80.346%0.46141%0.407SS..Hα-helixtrans-60.8-49.1173.9-70.4171.5-173.7169.70111.2E154 R155 A160 S161 Y162E154-K158 WeakPolarHBondContact O-CG 3.46Å; E154-K158 PolarHBondContact O-N 3.36Å; E154-K158 VanDerWaalsContact O-N 3.14Å; E154-K158 WeakPolarHBondContact OE1-CE 3.32Å; E154-K158 IonicContact OE1-NZ 3.65Å; E154-K158 PolarHBondContact OE1-NZ 3.3Å; R155-K158 PolarHBondContact O-N 3.25Å; K158-A160 VanDerWaalsContact C-N 3.34Å; K158-A160 PolarHBondContact O-N 3.33Å; K158-S161 PolarHBondContact O-N 2.98Å; K158-S161 PolarHBondContact O-OG 3.21Å; K158-Y162 WeakPolarHBondContact O-CD2 3.38Å; K158-Y162 WeakPolarHBondContact O-CE2 3.1Å
159L91Very high89.1Confident8 Ų883 Ų834%0.04242%0.419CS..Hα-helixtrans-63.9-36.2180-69.5171.6000112.5R155 L156 S161 Y162 V163 T172 E175 F176R155-L159 HydrophobicContact CG-CD1 3.92Å; R155-L159 HydrophobicContact CG-CG 4.47Å; R155-L159 WeakPolarHBondContact O-CB 3.38Å; R155-L159 VanDerWaalsContact O-CG 3.28Å; R155-L159 WeakPolarHBondContact O-CG 3.47Å; R155-L159 PolarHBondContact O-N 3.06Å; L156-L159 PolarHBondContact O-N 3.3Å; L159-S161 VanDerWaalsContact C-N 3.28Å; L159-S161 PolarHBondContact O-N 3.47Å; L159-Y162 PolarHBondContact O-N 3.01Å; L159-V163 VanDerWaalsContact O-CG2 3.29Å; L159-V163 WeakPolarHBondContact O-CG2 3.21Å; L159-V163 PolarHBondContact O-N 3.46Å; L159-T172 HydrophobicContact CD2-CG2 3.96Å; L159-E175 HydrophobicContact CD1-CB 4.36Å; L159-E175 HydrophobicContact CD1-CG 3.9Å; L159-F176 HydrophobicContact CB-CB 4.32Å; L159-F176 HydrophobicContact CB-CD2 3.84Å; L159-F176 HydrophobicContact CD1-CB 4.44Å
160A88.2Confident88.7Confident36 Ų3685.4 Ų85.430%0.29843%0.431SS..Hα-helixtrans-58.5-40.9176.600000111.8L156 E157 K158 Y162 V163 D164 F176L156-A160 VanDerWaalsContact O-CB 3.3Å; L156-A160 WeakPolarHBondContact O-CB 3.39Å; L156-A160 PolarHBondContact O-N 2.9Å; E157-A160 PolarHBondContact O-N 2.81Å; K158-A160 VanDerWaalsContact C-N 3.34Å; K158-A160 PolarHBondContact O-N 3.33Å; A160-Y162 PolarHBondContact O-N 2.82Å; A160-V163 PolarHBondContact O-N 2.67Å; A160-V163 VanDerWaalsContact O-N 3.14Å; A160-D164 PolarHBondContact O-N 3.14Å; A160-F176 HydrophobicContact CB-CE2 4.24Å
161S86Confident88.4Confident67 Ų6787.2 Ų87.247%0.46944%0.442SS..Hα-helixtrans-62.5-28.4176.977.50000113.8E157 K158 L159E157-S161 PolarHBondContact O-N 2.78Å; K158-S161 PolarHBondContact O-N 2.98Å; K158-S161 PolarHBondContact O-OG 3.21Å; L159-S161 VanDerWaalsContact C-N 3.28Å; L159-S161 PolarHBondContact O-N 3.47Å
162Y83.2Confident88.1Confident125 Ų12585.6 Ų85.649%0.4943%0.426SS..Hα-helixtrans-81.6-41.7173.3-62-66.8000110.8K158 L159 A160 D164 Q165 I168K158-Y162 WeakPolarHBondContact O-CD2 3.38Å; K158-Y162 WeakPolarHBondContact O-CE2 3.1Å; L159-Y162 PolarHBondContact O-N 3.01Å; A160-Y162 PolarHBondContact O-N 2.82Å; Y162-D164 PolarHBondContact O-N 3.5Å; Y162-D164 VanDerWaalsContact O-N 3.1Å; Y162-Q165 VanDerWaalsContact O-CB 3.3Å; Y162-Q165 WeakPolarHBondContact O-CB 3.38Å; Y162-Q165 WeakPolarHBondContact O-CG 3.43Å; Y162-Q165 PolarHBondContact O-N 3.12Å; Y162-I168 WeakPolarHBondContact O-CD1 3.19Å; Y162-I168 WeakPolarHBondContact O-CG1 3.3Å
163V80.4Confident87.8Confident44 Ų4487.6 Ų87.627%0.26743%0.434SS..Hα-helixtrans-64.3-13.2-177.1173.70000114.1L159 A160 I168 T172 F176L159-V163 VanDerWaalsContact O-CG2 3.29Å; L159-V163 WeakPolarHBondContact O-CG2 3.21Å; L159-V163 PolarHBondContact O-N 3.46Å; A160-V163 PolarHBondContact O-N 2.67Å; A160-V163 VanDerWaalsContact O-N 3.14Å; V163-I168 HydrophobicContact CB-CD1 4.42Å; V163-I168 WeakPolarHBondContact O-CD1 3.47Å; V163-T172 HydrophobicContact CG2-CG2 4.41Å; V163-F176 HydrophobicContact CG2-CB 4.01Å; V163-F176 HydrophobicContact CG2-CD2 4.16Å; V163-F176 HydrophobicContact CG2-CG 4.03Å
164D76.5Confident87.7Confident141 Ų14186.8 Ų86.875%0.75443%0.428SS*.THydrogen-bonded Turntrans-83.8-10.5171.5-70.1-26.2000113.9A160 Y162A160-D164 PolarHBondContact O-N 3.14Å; Y162-D164 PolarHBondContact O-N 3.5Å; Y162-D164 VanDerWaalsContact O-N 3.1Å
165Q82.7Confident87.6Confident105 Ų10585.2 Ų85.249%0.49142%0.42SS..SBendtrans-80.6143.1-176.9-59.5-176.56.900112.7Y162 H167 I168Y162-Q165 VanDerWaalsContact O-CB 3.3Å; Y162-Q165 WeakPolarHBondContact O-CB 3.38Å; Y162-Q165 WeakPolarHBondContact O-CG 3.43Å; Y162-Q165 PolarHBondContact O-N 3.12Å; Q165-H167 PolarHBondContact O-N 3.23Å; Q165-H167 VanDerWaalsContact O-N 3.12Å; Q165-I168 HydrophobicContact CB-CG1 4.19Å; Q165-I168 WeakPolarHBondContact O-CD1 3.25Å; Q165-I168 WeakPolarHBondContact O-CG1 3.31Å
166P74.7Confident87.6Confident123 Ų12381.7 Ų81.780%0.79941%0.409SS*.THydrogen-bonded Turntrans-66.8-19.4-17524.6-33.8000115
167H79.5Confident87.6Confident178 Ų17881.6 Ų81.682%0.82441%0.408SS*.THydrogen-bonded Turntrans-116.439.4-174.2-63.8-56.8000113.3Q165Q165-H167 PolarHBondContact O-N 3.23Å; Q165-H167 VanDerWaalsContact O-N 3.12Å
168I82.9Confident87.7Confident30 Ų3076 Ų7615%0.15438%0.383CS..  trans-68.3133.8176.8-62.2138.3000111.2Y162 V163 Q165 T172 K173Y162-I168 WeakPolarHBondContact O-CD1 3.19Å; Y162-I168 WeakPolarHBondContact O-CG1 3.3Å; V163-I168 HydrophobicContact CB-CD1 4.42Å; V163-I168 WeakPolarHBondContact O-CD1 3.47Å; Q165-I168 HydrophobicContact CB-CG1 4.19Å; Q165-I168 WeakPolarHBondContact O-CD1 3.25Å; Q165-I168 WeakPolarHBondContact O-CG1 3.31Å; I168-T172 HydrophobicContact CG2-CG2 4.14Å; I168-K173 HydrophobicContact CG2-CD 4.42Å; I168-K173 HydrophobicContact CG2-CG 3.68Å
169D86.9Confident88Confident79 Ų7971.3 Ų71.342%0.42236%0.363SS..  trans-65.7140168.157.5-54.6000112.3E171 T172 K173D169-E171 PolarHBondContact O-N 3.21Å; D169-E171 VanDerWaalsContact O-N 3.16Å; D169-T172 PolarHBondContact O-N 3.09Å; D169-T172 WeakPolarHBondContact OD1-CB 3.18Å; D169-T172 PolarHBondContact OD1-OG1 2.98Å; D169-T172 VanDerWaalsContact OD2-CB 3.32Å; D169-T172 WeakPolarHBondContact OD2-CB 3.08Å; D169-T172 PolarHBondContact OD2-N 3.48Å; D169-T172 PolarHBondContact OD2-OG1 3.4Å; D169-K173 PolarHBondContact O-N 3.04Å
170E89Confident88.2Confident104 Ų10471.8 Ų71.849%0.48637%0.365SS..Hα-helixtrans-59.6-27.5178.6-79.6-58.9133.800113.1S66 K173 R174S66-E170 WeakPolarHBondContact CB-OE2 3.43Å; S66-E170 PolarHBondContact OG-O 2.98Å; S66-E170 PolarHBondContact OG-OE2 3.29Å; E170-K173 PolarHBondContact O-N 2.89Å; E170-K173 WeakPolarHBondContact OE1-CD 3.43Å; E170-K173 IonicContact OE1-NZ 2.71Å; E170-K173 PolarHBondContact OE1-NZ 3.34Å; E170-R174 WeakPolarHBondContact O-CB 3.5Å; E170-R174 PolarHBondContact O-N 3.48Å
171E90.7Very high88.7Confident157 Ų15770 Ų7073%0.73435%0.351SS*.Hα-helixtrans-64.7-47.6176.8-171.9168-163.500111.7D169 K173 R174 E175D169-E171 PolarHBondContact O-N 3.21Å; D169-E171 VanDerWaalsContact O-N 3.16Å; E171-K173 VanDerWaalsContact C-N 3.31Å; E171-K173 PolarHBondContact O-N 3.37Å; E171-R174 WeakPolarHBondContact O-CB 3.4Å; E171-R174 PolarHBondContact O-N 2.91Å; E171-R174 VanDerWaalsContact O-N 3.15Å; E171-E175 PolarHBondContact O-N 3.43Å
172T91.7Very high89.2Confident23 Ų2368.9 Ų68.914%0.14134%0.338CS..Hα-helixtrans-60.5-37.8173.8-66.70000112.4L159 V163 I168 D169 E175 F176L159-T172 HydrophobicContact CD2-CG2 3.96Å; V163-T172 HydrophobicContact CG2-CG2 4.41Å; I168-T172 HydrophobicContact CG2-CG2 4.14Å; D169-T172 PolarHBondContact O-N 3.09Å; D169-T172 WeakPolarHBondContact OD1-CB 3.18Å; D169-T172 PolarHBondContact OD1-OG1 2.98Å; D169-T172 VanDerWaalsContact OD2-CB 3.32Å; D169-T172 WeakPolarHBondContact OD2-CB 3.08Å; D169-T172 PolarHBondContact OD2-N 3.48Å; D169-T172 PolarHBondContact OD2-OG1 3.4Å; T172-E175 PolarHBondContact O-N 3.4Å; T172-F176 WeakPolarHBondContact O-CB 3.39Å; T172-F176 PolarHBondContact O-N 3.33Å
173K91.1Very high89.9Confident61 Ų6164.8 Ų64.827%0.26532%0.323SS..Hα-helixtrans-65.4-43.6173.7-66.8178.2-163.2162.80111.7I168 D169 E170 E171 E175 F176 N177I168-K173 HydrophobicContact CG2-CD 4.42Å; I168-K173 HydrophobicContact CG2-CG 3.68Å; D169-K173 PolarHBondContact O-N 3.04Å; E170-K173 PolarHBondContact O-N 2.89Å; E170-K173 WeakPolarHBondContact OE1-CD 3.43Å; E170-K173 IonicContact OE1-NZ 2.71Å; E170-K173 PolarHBondContact OE1-NZ 3.34Å; E171-K173 VanDerWaalsContact C-N 3.31Å; E171-K173 PolarHBondContact O-N 3.37Å; K173-E175 VanDerWaalsContact C-N 3.32Å; K173-F176 PolarHBondContact O-N 3.22Å; K173-N177 PolarHBondContact O-N 2.89Å; K173-N177 PolarHBondContact O-ND2 3.4Å
174R94.3Very high90.7Very high54 Ų5462.9 Ų62.920%0.20431%0.311CS..Hα-helixtrans-60.8-45.2177-173.3176.6-179.482.7-3.3110.1L61 D62 L64 I69 E170 E171 N177 L178L61-R174 VanDerWaalsContact C-NH2 3.3Å; L61-R174 PolarHBondContact O-NH1 2.96Å; L61-R174 PolarHBondContact O-NH2 2.69Å; D62-R174 IonicContact OD1-NH2 2.75Å; D62-R174 PolarHBondContact OD1-NH2 3.05Å; L64-R174 PolarHBondContact O-NH1 2.84Å; I69-R174 HydrophobicContact CD1-CG 3.91Å; E170-R174 WeakPolarHBondContact O-CB 3.5Å; E170-R174 PolarHBondContact O-N 3.48Å; E171-R174 WeakPolarHBondContact O-CB 3.4Å; E171-R174 PolarHBondContact O-N 2.91Å; E171-R174 VanDerWaalsContact O-N 3.15Å; R174-N177 PolarHBondContact O-N 3.05Å; R174-L178 HydrophobicContact CG-CD1 4.06Å; R174-L178 WeakPolarHBondContact O-CB 3.31Å; R174-L178 WeakPolarHBondContact O-CG 3.31Å; R174-L178 PolarHBondContact O-N 2.97Å
175E95.1Very high91.7Very high62 Ų6256.1 Ų56.129%0.2928%0.275SS..Hα-helixtrans-61.1-45.9176.6-166.8-173.9172.900112.1R155 L159 E171 T172 K173 N177 L178 T179R155-E175 IonicContact CZ-OE1 2.66Å; R155-E175 IonicContact NE-OE1 2.68Å; R155-E175 PolarHBondContact NE-OE1 2.8Å; R155-E175 IonicContact NH2-OE1 3.29Å; R155-E175 PolarHBondContact NH2-OE1 3.19Å; R155-E175 IonicContact NH2-OE2 2.78Å; R155-E175 PolarHBondContact NH2-OE2 3.17Å; L159-E175 HydrophobicContact CD1-CB 4.36Å; L159-E175 HydrophobicContact CD1-CG 3.9Å; E171-E175 PolarHBondContact O-N 3.43Å; T172-E175 PolarHBondContact O-N 3.4Å; K173-E175 VanDerWaalsContact C-N 3.32Å; E175-N177 PolarHBondContact O-N 2.92Å; E175-L178 PolarHBondContact O-N 3.47Å; E175-T179 WeakPolarHBondContact O-CB 3.41Å; E175-T179 PolarHBondContact O-N 2.66Å; E175-T179 PolarHBondContact O-OG1 2.68Å
176F95.2Very high92.4Very high47 Ų4751.1 Ų51.121%0.20625%0.252CS..Hα-helixtrans-57-49.2177176.2-93.1000111.8L156 L159 A160 V163 T172 K173 L178 T179 L180L156-F176 HydrophobicContact CD2-CD2 3.78Å; L156-F176 HydrophobicContact CD2-CE2 3.69Å; L156-F176 HydrophobicContact CD2-CG 4.4Å; L156-F176 HydrophobicContact CD2-CZ 4.25Å; L159-F176 HydrophobicContact CB-CB 4.32Å; L159-F176 HydrophobicContact CB-CD2 3.84Å; L159-F176 HydrophobicContact CD1-CB 4.44Å; A160-F176 HydrophobicContact CB-CE2 4.24Å; V163-F176 HydrophobicContact CG2-CB 4.01Å; V163-F176 HydrophobicContact CG2-CD2 4.16Å; V163-F176 HydrophobicContact CG2-CG 4.03Å; T172-F176 WeakPolarHBondContact O-CB 3.39Å; T172-F176 PolarHBondContact O-N 3.33Å; K173-F176 PolarHBondContact O-N 3.22Å; F176-L178 PolarHBondContact O-N 2.98Å; F176-T179 PolarHBondContact O-N 2.72Å; F176-L180 WeakPolarHBondContact O-CB 3.39Å; F176-L180 PolarHBondContact O-N 3.24Å
177N95.2Very high93.4Very high13 Ų1345.8 Ų45.87%0.0722%0.216CC..Hα-helixtrans-68.5-35.9-178.1-67.5-57.3000112S66 I69 R70 K173 R174 E175 L180 V181S66-N177 WeakPolarHBondContact O-CB 3.41Å; S66-N177 VanDerWaalsContact O-CG 3.29Å; S66-N177 PolarHBondContact O-ND2 3.33Å; I69-N177 HydrophobicContact CB-CB 4.07Å; I69-N177 HydrophobicContact CG2-CB 4.03Å; R70-N177 HydrophobicContact CB-CB 4.39Å; R70-N177 WeakPolarHBondContact CB-OD1 3.34Å; K173-N177 PolarHBondContact O-N 2.89Å; K173-N177 PolarHBondContact O-ND2 3.4Å; R174-N177 PolarHBondContact O-N 3.05Å; E175-N177 PolarHBondContact O-N 2.92Å; N177-L180 WeakPolarHBondContact O-CB 3.29Å; N177-L180 PolarHBondContact O-N 3.08Å; N177-V181 WeakPolarHBondContact O-CG2 3.39Å; N177-V181 PolarHBondContact O-N 2.8Å; N177-V181 VanDerWaalsContact O-N 3.1Å
178L96.3Very high94.3Very high34 Ų3437.3 Ų37.318%0.17818%0.177CC..Hα-helixtrans-65.6-45173.2-77.7171.7000112.7L61 I69 R174 E175 F176 L180 V181 Q182L61-L178 HydrophobicContact CD1-CD2 3.73Å; L61-L178 HydrophobicContact CD2-CD1 4.14Å; L61-L178 HydrophobicContact CD2-CD2 3.49Å; L61-L178 VanDerWaalsContact CD2-CD2 3.49Å; L61-L178 HydrophobicContact CD2-CG 4.44Å; L61-L178 HydrophobicContact CG-CD2 4.12Å; I69-L178 HydrophobicContact CD1-CD2 4.3Å; I69-L178 HydrophobicContact CD1-CG 4.2Å; I69-L178 HydrophobicContact CG2-CD2 3.87Å; I69-L178 HydrophobicContact CG2-CG 4.19Å; R174-L178 HydrophobicContact CG-CD1 4.06Å; R174-L178 WeakPolarHBondContact O-CB 3.31Å; R174-L178 WeakPolarHBondContact O-CG 3.31Å; R174-L178 PolarHBondContact O-N 2.97Å; E175-L178 PolarHBondContact O-N 3.47Å; F176-L178 PolarHBondContact O-N 2.98Å; L178-L180 PolarHBondContact O-N 2.72Å; L178-V181 PolarHBondContact O-N 3.29Å; L178-V181 VanDerWaalsContact O-N 3.14Å; L178-Q182 WeakPolarHBondContact O-CG 3.28Å; L178-Q182 PolarHBondContact O-N 3.28Å
179T96.8Very high94.9Very high6 Ų636.1 Ų36.14%0.03717%0.171CC..Hα-helixtrans-62-35.7177.8-51.30000110.3L152 R155 L156 E175 F176 Q182 K183L152-T179 HydrophobicContact CB-CG2 4.23Å; L152-T179 HydrophobicContact CD2-CG2 3.69Å; R155-T179 HydrophobicContact CB-CG2 4.01Å; R155-T179 HydrophobicContact CG-CG2 4.06Å; L156-T179 HydrophobicContact CD1-CG2 4.36Å; L156-T179 HydrophobicContact CD2-CG2 4.16Å; L156-T179 HydrophobicContact CG-CG2 3.68Å; E175-T179 WeakPolarHBondContact O-CB 3.41Å; E175-T179 PolarHBondContact O-N 2.66Å; E175-T179 PolarHBondContact O-OG1 2.68Å; F176-T179 PolarHBondContact O-N 2.72Å; T179-Q182 PolarHBondContact O-N 2.96Å; T179-K183 PolarHBondContact O-N 3.29Å
180L96.2Very high95.2Very high18 Ų1834.7 Ų34.79%0.09416%0.163CC..Hα-helixtrans-63.1-47.2173.8179.562.8000111.9L156 F176 N177 L178 Q182 K183 W184L156-L180 HydrophobicContact CD2-CB 4.14Å; F176-L180 WeakPolarHBondContact O-CB 3.39Å; F176-L180 PolarHBondContact O-N 3.24Å; N177-L180 WeakPolarHBondContact O-CB 3.29Å; N177-L180 PolarHBondContact O-N 3.08Å; L178-L180 PolarHBondContact O-N 2.72Å; L180-Q182 VanDerWaalsContact C-N 3.32Å; L180-Q182 PolarHBondContact O-N 2.91Å; L180-K183 PolarHBondContact O-N 3.36Å; L180-W184 VanDerWaalsContact O-CD1 3.28Å; L180-W184 PolarHBondContact O-N 3.48Å; L180-W184 VanDerWaalsContact O-N 3.08Å
181V97.7Very high95.5Very high0 Ų031.2 Ų31.20%015%0.148CC..Hα-helixtrans-61.5-42.8176.6174.30000110.8I69 I72 F103 V112 N177 L178 K183 W184 L185I69-V181 HydrophobicContact CG2-CG2 4Å; I69-V181 WeakPolarHBondContact O-CG2 3.37Å; I72-V181 HydrophobicContact CB-CG2 4.15Å; I72-V181 HydrophobicContact CG2-CG1 4.12Å; F103-V181 HydrophobicContact CE2-CG1 4.14Å; F103-V181 HydrophobicContact CZ-CG1 4.17Å; V112-V181 HydrophobicContact CG1-CG1 4.03Å; N177-V181 WeakPolarHBondContact O-CG2 3.39Å; N177-V181 PolarHBondContact O-N 2.8Å; N177-V181 VanDerWaalsContact O-N 3.1Å; L178-V181 PolarHBondContact O-N 3.29Å; L178-V181 VanDerWaalsContact O-N 3.14Å; V181-K183 PolarHBondContact O-N 3.46Å; V181-W184 WeakPolarHBondContact O-CB 3.34Å; V181-W184 PolarHBondContact O-N 3.44Å; V181-W184 VanDerWaalsContact O-N 3.15Å; V181-L185 PolarHBondContact O-N 2.89Å
182Q97.7Very high95.8Very high42 Ų4224.5 Ų24.520%0.19612%0.117CC..Hα-helixtrans-62.5-41.2176.3-74.7179.5-23.500112.7L113 P115 L152 L178 T179 L180 W184 L185 C186L113-Q182 PolarHBondContact O-NE2 3.31Å; L113-Q182 VanDerWaalsContact O-NE2 3.14Å; P115-Q182 HydrophobicContact CG-CB 3.93Å; P115-Q182 HydrophobicContact CG-CG 4.31Å; P115-Q182 WeakPolarHBondContact CG-O 3.42Å; L152-Q182 HydrophobicContact CD1-CB 3.84Å; L152-Q182 HydrophobicContact CD2-CB 3.91Å; L178-Q182 WeakPolarHBondContact O-CG 3.28Å; L178-Q182 PolarHBondContact O-N 3.28Å; T179-Q182 PolarHBondContact O-N 2.96Å; L180-Q182 VanDerWaalsContact C-N 3.32Å; L180-Q182 PolarHBondContact O-N 2.91Å; Q182-W184 VanDerWaalsContact C-N 3.29Å; Q182-W184 PolarHBondContact O-N 3.45Å; Q182-L185 WeakPolarHBondContact O-CB 3.47Å; Q182-L185 PolarHBondContact O-N 2.97Å; Q182-C186 PolarHBondContact O-N 3.3Å
183K97.2Very high95.8Very high39 Ų3925.3 Ų25.317%0.1712%0.12CC..Hα-helixtrans-58.5-44.3172.7176.4-172.4171.3-179.70110.8E153 L156 T179 L180 V181 L185 C186 I187E153-K183 HydrophobicContact CG-CD 4.05Å; E153-K183 HydrophobicContact CG-CG 4.41Å; L156-K183 HydrophobicContact CD1-CB 3.97Å; L156-K183 HydrophobicContact CD1-CD 3.57Å; L156-K183 HydrophobicContact CD1-CG 4.36Å; T179-K183 PolarHBondContact O-N 3.29Å; L180-K183 PolarHBondContact O-N 3.36Å; V181-K183 PolarHBondContact O-N 3.46Å; K183-L185 VanDerWaalsContact C-N 3.32Å; K183-L185 PolarHBondContact O-N 3.03Å; K183-C186 WeakPolarHBondContact O-CB 3.41Å; K183-C186 PolarHBondContact O-N 2.92Å; K183-I187 HydrophobicContact CD-CD1 4.46Å; K183-I187 HydrophobicContact CG-CD1 4.01Å; K183-I187 WeakPolarHBondContact O-CG1 3.49Å; K183-I187 PolarHBondContact O-N 2.93Å; K183-I187 VanDerWaalsContact O-N 3.09Å
184W97.8Very high95.9Very high4 Ų425.7 Ų25.72%0.01513%0.13CC..Hα-helixtrans-65.4-33178.4-85.1106.8000113.1Y16 C73 A76 L77 Y80 F103 L180 V181 Q182 C186 I187 A188Y16-W184 HydrophobicContact CD1-CZ2 4.5Å; Y16-W184 AromaticContact CD2-CH2 3.6Å; Y16-W184 HydrophobicContact CD2-CH2 3.6Å; Y16-W184 AromaticContact CD2-CZ2 3.83Å; Y16-W184 HydrophobicContact CD2-CZ2 3.83Å; Y16-W184 HydrophobicContact CE1-CZ2 4.43Å; Y16-W184 AromaticContact CE2-CH2 3.39Å; Y16-W184 HydrophobicContact CE2-CH2 3.39Å; Y16-W184 AromaticContact CE2-CZ2 3.73Å; Y16-W184 HydrophobicContact CE2-CZ2 3.73Å; Y16-W184 HydrophobicContact CE2-CZ3 4.46Å; Y16-W184 HydrophobicContact CG-CH2 4.42Å; Y16-W184 HydrophobicContact CG-CZ2 4.22Å; C73-W184 HydrophobicContact CB-CB 4.22Å; C73-W184 HydrophobicContact CB-CG 3.96Å; A76-W184 HydrophobicContact CB-CB 4.45Å; A76-W184 HydrophobicContact CB-CD2 4.43Å; A76-W184 HydrophobicContact CB-CE3 3.95Å; L77-W184 HydrophobicContact CD2-CH2 3.55Å; L77-W184 HydrophobicContact CD2-CZ2 3.21Å; L77-W184 HydrophobicContact CG-CH2 4.09Å; L77-W184 HydrophobicContact CG-CZ2 3.78Å; Y80-W184 HydrophobicContact CG-CH2 4.29Å; Y80-W184 HydrophobicContact CG-CZ3 4.31Å; F103-W184 HydrophobicContact CE1-CB 4.18Å; F103-W184 HydrophobicContact CZ-CB 3.83Å; L180-W184 VanDerWaalsContact O-CD1 3.28Å; L180-W184 PolarHBondContact O-N 3.48Å; L180-W184 VanDerWaalsContact O-N 3.08Å; V181-W184 WeakPolarHBondContact O-CB 3.34Å; V181-W184 PolarHBondContact O-N 3.44Å; V181-W184 VanDerWaalsContact O-N 3.15Å; Q182-W184 VanDerWaalsContact C-N 3.29Å; Q182-W184 PolarHBondContact O-N 3.45Å; W184-C186 VanDerWaalsContact C-N 3.34Å; W184-C186 PolarHBondContact O-N 3.46Å; W184-I187 HydrophobicContact CE3-CB 4.27Å; W184-I187 HydrophobicContact CE3-CD1 4.37Å; W184-I187 HydrophobicContact CE3-CG2 4.17Å; W184-I187 HydrophobicContact CZ3-CG2 4.03Å; W184-I187 PolarHBondContact O-N 3.47Å; W184-A188 WeakPolarHBondContact O-CB 3.34Å; W184-A188 PolarHBondContact O-N 2.85Å
185L97.5Very high96Very high0 Ų023.4 Ų23.40%012%0.122CC..Hα-helixtrans-59-43.4170.5-80.1171000112.1F103 F104 C107 V112 F114 P115 V118 V181 Q182 K183 Q189F103-L185 HydrophobicContact CD1-CD2 4.23Å; F103-L185 HydrophobicContact CE1-CB 4.43Å; F103-L185 HydrophobicContact CE1-CD2 3.65Å; F103-L185 HydrophobicContact CE1-CG 3.86Å; F103-L185 HydrophobicContact CZ-CD2 4.07Å; F103-L185 HydrophobicContact CZ-CG 3.93Å; F104-L185 HydrophobicContact CD1-CD2 4.42Å; F104-L185 HydrophobicContact CD2-CD2 4.06Å; F104-L185 HydrophobicContact CE1-CD2 4.35Å; F104-L185 HydrophobicContact CE2-CD2 4.02Å; F104-L185 HydrophobicContact CG-CD2 4.27Å; F104-L185 HydrophobicContact CZ-CD2 4.16Å; C107-L185 HydrophobicContact CB-CD1 4.42Å; C107-L185 HydrophobicContact CB-CD2 4.2Å; V112-L185 HydrophobicContact CG1-CD1 4.11Å; F114-L185 HydrophobicContact CD1-CD1 4.26Å; F114-L185 HydrophobicContact CD1-CD2 4.13Å; F114-L185 HydrophobicContact CE1-CD1 4.39Å; F114-L185 HydrophobicContact CE1-CD2 3.68Å; F114-L185 HydrophobicContact CG-CD1 4.37Å; F114-L185 HydrophobicContact CZ-CD2 4.16Å; P115-L185 HydrophobicContact CG-CB 4.33Å; V118-L185 HydrophobicContact CG1-CB 4.22Å; V181-L185 PolarHBondContact O-N 2.89Å; Q182-L185 WeakPolarHBondContact O-CB 3.47Å; Q182-L185 PolarHBondContact O-N 2.97Å; K183-L185 VanDerWaalsContact C-N 3.32Å; K183-L185 PolarHBondContact O-N 3.03Å; L185-Q189 WeakPolarHBondContact O-CB 3.38Å; L185-Q189 PolarHBondContact O-N 3.18Å; L185-Q189 VanDerWaalsContact O-N 3.09Å
186C96.9Very high95.9Very high0 Ų022.2 Ų22.20%012%0.116CC..Hα-helixtrans-63.5-47.8174.9-70.20000112.4R145 K149 Q182 K183 W184 Q189 D190R145-C186 HydrophobicContact CG-CB 4.24Å; K149-C186 HydrophobicContact CB-CB 3.87Å; K149-C186 HydrophobicContact CD-CB 4.38Å; K149-C186 HydrophobicContact CG-CB 4.1Å; Q182-C186 PolarHBondContact O-N 3.3Å; K183-C186 WeakPolarHBondContact O-CB 3.41Å; K183-C186 PolarHBondContact O-N 2.92Å; W184-C186 VanDerWaalsContact C-N 3.34Å; W184-C186 PolarHBondContact O-N 3.46Å; C186-Q189 PolarHBondContact O-N 2.97Å; C186-D190 PolarHBondContact O-N 3.4Å
187I96.5Very high95.7Very high11 Ų1124.1 Ų24.16%0.05613%0.129CC..Hα-helixtrans-61.3-49.6-179.8-67169.1000110.5K183 W184 Q189 D190 D191K183-I187 HydrophobicContact CD-CD1 4.46Å; K183-I187 HydrophobicContact CG-CD1 4.01Å; K183-I187 WeakPolarHBondContact O-CG1 3.49Å; K183-I187 PolarHBondContact O-N 2.93Å; K183-I187 VanDerWaalsContact O-N 3.09Å; W184-I187 HydrophobicContact CE3-CB 4.27Å; W184-I187 HydrophobicContact CE3-CD1 4.37Å; W184-I187 HydrophobicContact CE3-CG2 4.17Å; W184-I187 HydrophobicContact CZ3-CG2 4.03Å; W184-I187 PolarHBondContact O-N 3.47Å; I187-Q189 VanDerWaalsContact C-N 3.3Å; I187-Q189 PolarHBondContact O-N 2.79Å; I187-D190 PolarHBondContact O-N 2.83Å; I187-D190 VanDerWaalsContact O-N 3.17Å; I187-D191 PolarHBondContact O-N 2.9Å
188A97Very high95.6Very high0 Ų025.7 Ų25.70%014%0.136CC..Hα-helixtrans-61.6-37.4-178.700000112.1Y100 F103 F104 W184 D191 I192Y100-A188 HydrophobicContact CD1-CB 3.36Å; Y100-A188 HydrophobicContact CE1-CB 3.52Å; Y100-A188 HydrophobicContact CG-CB 4.09Å; F103-A188 HydrophobicContact CD1-CB 4.16Å; F103-A188 HydrophobicContact CE1-CB 4.24Å; F104-A188 HydrophobicContact CE2-CB 3.69Å; F104-A188 HydrophobicContact CZ-CB 4.44Å; W184-A188 WeakPolarHBondContact O-CB 3.34Å; W184-A188 PolarHBondContact O-N 2.85Å; A188-D191 PolarHBondContact O-N 3.46Å; A188-I192 WeakPolarHBondContact O-CB 3.5Å; A188-I192 WeakPolarHBondContact O-CD1 3.5Å; A188-I192 WeakPolarHBondContact O-CG1 3.23Å; A188-I192 PolarHBondContact O-N 3.05Å
189Q95.8Very high95.4Very high4 Ų426.3 Ų26.32%0.01914%0.139CC..Hα-helixtrans-66.1-39.3175.7-170.176.160.900112.9F104 V118 S119 L185 C186 I187 I193F104-Q189 VanDerWaalsContact CE1-OE1 3.23Å; F104-Q189 HydrophobicContact CZ-CB 4.06Å; V118-Q189 HydrophobicContact CG1-CB 4.16Å; V118-Q189 HydrophobicContact CG1-CG 4.42Å; V118-Q189 HydrophobicContact CG2-CB 4.47Å; S119-Q189 PolarHBondContact O-OE1 3.42Å; L185-Q189 WeakPolarHBondContact O-CB 3.38Å; L185-Q189 PolarHBondContact O-N 3.18Å; L185-Q189 VanDerWaalsContact O-N 3.09Å; C186-Q189 PolarHBondContact O-N 2.97Å; I187-Q189 VanDerWaalsContact C-N 3.3Å; I187-Q189 PolarHBondContact O-N 2.79Å; Q189-I193 WeakPolarHBondContact O-CG1 3.4Å; Q189-I193 PolarHBondContact O-N 3.36Å
190D94.7Very high95Very high50 Ų5028.7 Ų28.727%0.26715%0.151SC..Hα-helixtrans-65.4-44175.5-74-20.5000110.9R145 C186 I187 I193 S194R145-D190 VanDerWaalsContact CD-OD1 3.25Å; R145-D190 WeakPolarHBondContact CD-OD1 3.43Å; R145-D190 IonicContact CZ-OD1 3.52Å; R145-D190 IonicContact NE-OD1 3.26Å; R145-D190 IonicContact NH1-OD1 3.07Å; R145-D190 PolarHBondContact NH1-OD1 3.2Å; C186-D190 PolarHBondContact O-N 3.4Å; I187-D190 PolarHBondContact O-N 2.83Å; I187-D190 VanDerWaalsContact O-N 3.17Å; D190-I193 PolarHBondContact O-N 2.94Å; D190-S194 PolarHBondContact O-N 2.63Å
191D95.2Very high94.7Very high30 Ų3033.3 Ų33.316%0.1618%0.175CC..Hα-helixtrans-62.3-45.1175.8-89.721.6000111.9S83 Y100 I187 A188 I193 S194 L195S83-D191 PolarHBondContact OG-OD2 2.95Å; Y100-D191 HydrophobicContact CE2-CB 3.59Å; Y100-D191 PolarHBondContact OH-OD2 3.27Å; I187-D191 PolarHBondContact O-N 2.9Å; A188-D191 PolarHBondContact O-N 3.46Å; D191-I193 VanDerWaalsContact C-N 3.3Å; D191-I193 PolarHBondContact O-N 3.37Å; D191-S194 PolarHBondContact O-N 2.89Å; D191-S194 VanDerWaalsContact O-N 3.17Å; D191-L195 HydrophobicContact CB-CD1 4.42Å; D191-L195 VanDerWaalsContact O-CB 3.28Å; D191-L195 WeakPolarHBondContact O-CB 3.28Å; D191-L195 WeakPolarHBondContact O-CG 3.46Å; D191-L195 PolarHBondContact O-N 3.46Å
192I95.7Very high94.2Very high17 Ų1736.1 Ų36.19%0.08719%0.19CC..Hα-helixtrans-54.7-47.9177.2-74.9161000110.5L97 Y100 F104 A188 Q196L97-I192 HydrophobicContact CD2-CB 4.35Å; L97-I192 HydrophobicContact CD2-CG1 4.26Å; L97-I192 HydrophobicContact CD2-CG2 4.17Å; Y100-I192 HydrophobicContact CD2-CG1 3.94Å; Y100-I192 HydrophobicContact CG-CD1 4.47Å; Y100-I192 HydrophobicContact CG-CG1 4.14Å; F104-I192 HydrophobicContact CD2-CD1 4.45Å; F104-I192 HydrophobicContact CE2-CD1 3.91Å; F104-I192 HydrophobicContact CZ-CD1 4.05Å; A188-I192 WeakPolarHBondContact O-CB 3.5Å; A188-I192 WeakPolarHBondContact O-CD1 3.5Å; A188-I192 WeakPolarHBondContact O-CG1 3.23Å; A188-I192 PolarHBondContact O-N 3.05Å; I192-Q196 HydrophobicContact CG2-CG 4.33Å; I192-Q196 VanDerWaalsContact O-CB 3.23Å; I192-Q196 WeakPolarHBondContact O-CB 3.43Å; I192-Q196 WeakPolarHBondContact O-CG 3.48Å; I192-Q196 PolarHBondContact O-N 2.99Å
193I93Very high93.7Very high39 Ų3937.1 Ų37.120%0.220%0.201CC..Hα-helixtrans-63.3-45.4-179.4-65.5170.4000110.1R145 Q189 D190 D191 N197R145-I193 VanDerWaalsContact NH1-CD1 3.34Å; Q189-I193 WeakPolarHBondContact O-CG1 3.4Å; Q189-I193 PolarHBondContact O-N 3.36Å; D190-I193 PolarHBondContact O-N 2.94Å; D191-I193 VanDerWaalsContact C-N 3.3Å; D191-I193 PolarHBondContact O-N 3.37Å; I193-N197 VanDerWaalsContact O-CG 3.22Å; I193-N197 PolarHBondContact O-N 3.24Å; I193-N197 VanDerWaalsContact O-N 3.08Å; I193-N197 PolarHBondContact O-ND2 3.41Å
194S93.3Very high93Very high69 Ų6941 Ų4148%0.48322%0.218SC..Hα-helixtrans-60.5-51.3178.9-169.10000111.9D190 D191 Q196 N197 E198D190-S194 PolarHBondContact O-N 2.63Å; D191-S194 PolarHBondContact O-N 2.89Å; D191-S194 VanDerWaalsContact O-N 3.17Å; S194-Q196 VanDerWaalsContact C-N 3.35Å; S194-Q196 PolarHBondContact O-N 3.21Å; S194-N197 PolarHBondContact O-N 3.44Å; S194-E198 PolarHBondContact O-N 2.75Å
195L95.1Very high91.9Very high6 Ų643 Ų433%0.03124%0.24CC..Hα-helixtrans-66-35.5-178.3-69.1172000112.5I93 A96 L97 Y100 D191 E198 L199I93-L195 HydrophobicContact CG1-CD2 3.92Å; I93-L195 HydrophobicContact CG2-CB 4.09Å; I93-L195 HydrophobicContact CG2-CD2 4.43Å; A96-L195 HydrophobicContact CB-CD1 3.84Å; L97-L195 HydrophobicContact CD2-CB 4.01Å; L97-L195 HydrophobicContact CD2-CD1 4.46Å; L97-L195 HydrophobicContact CG-CB 4.34Å; Y100-L195 HydrophobicContact CD2-CD1 4.4Å; Y100-L195 HydrophobicContact CE2-CD1 3.96Å; D191-L195 HydrophobicContact CB-CD1 4.42Å; D191-L195 VanDerWaalsContact O-CB 3.28Å; D191-L195 WeakPolarHBondContact O-CB 3.28Å; D191-L195 WeakPolarHBondContact O-CG 3.46Å; D191-L195 PolarHBondContact O-N 3.46Å; L195-E198 PolarHBondContact O-N 3.21Å; L195-L199 WeakPolarHBondContact O-CB 3.32Å; L195-L199 PolarHBondContact O-N 3.39Å
196Q93.1Very high90.4Very high37 Ų3747.9 Ų47.917%0.17327%0.274CS..Hα-helixtrans-64.6-44.8172.7-80.7177.7-3.800111.5L97 S123 R125 I192 S194 E198 L199 D200L97-Q196 HydrophobicContact CD1-CG 4.24Å; L97-Q196 HydrophobicContact CD2-CG 4.05Å; S123-Q196 PolarHBondContact OG-NE2 3.01Å; S123-Q196 PolarHBondContact OG-OE1 3.14Å; R125-Q196 VanDerWaalsContact NH2-C 3.28Å; R125-Q196 PolarHBondContact NH2-O 3.35Å; I192-Q196 HydrophobicContact CG2-CG 4.33Å; I192-Q196 VanDerWaalsContact O-CB 3.23Å; I192-Q196 WeakPolarHBondContact O-CB 3.43Å; I192-Q196 WeakPolarHBondContact O-CG 3.48Å; I192-Q196 PolarHBondContact O-N 2.99Å; S194-Q196 VanDerWaalsContact C-N 3.35Å; S194-Q196 PolarHBondContact O-N 3.21Å; Q196-E198 VanDerWaalsContact C-N 3.31Å; Q196-L199 PolarHBondContact O-N 3.37Å; Q196-D200 PolarHBondContact O-N 3.3Å
197N91.5Very high88.6Confident88 Ų8852 Ų5247%0.47130%0.303SS..Hα-helixtrans-64.1-41.3177.3-67.5-21.8000110.9I193 S194 D200 I201I193-N197 VanDerWaalsContact O-CG 3.22Å; I193-N197 PolarHBondContact O-N 3.24Å; I193-N197 VanDerWaalsContact O-N 3.08Å; I193-N197 PolarHBondContact O-ND2 3.41Å; S194-N197 PolarHBondContact O-N 3.44Å; N197-D200 PolarHBondContact O-N 3.07Å; N197-I201 VanDerWaalsContact O-CG1 3.31Å; N197-I201 WeakPolarHBondContact O-CG1 3.44Å; N197-I201 PolarHBondContact O-N 2.83Å
198E93.3Very high86.8Confident45 Ų4557.5 Ų57.521%0.2133%0.331CS..Hα-helixtrans-60.1-46.4175.1-170-178.7168.400111.9R89 I93 S194 L195 Q196 D200 I201 L202R89-E198 WeakPolarHBondContact CG-OE1 3.47Å; R89-E198 IonicContact CZ-OE1 2.94Å; R89-E198 VanDerWaalsContact CZ-OE1 3.23Å; R89-E198 IonicContact CZ-OE2 2.69Å; R89-E198 IonicContact NE-OE1 2.73Å; R89-E198 PolarHBondContact NE-OE1 3.36Å; R89-E198 IonicContact NE-OE2 3.53Å; R89-E198 VanDerWaalsContact NH2-CD 3.31Å; R89-E198 IonicContact NH2-OE1 3.54Å; R89-E198 PolarHBondContact NH2-OE1 3.3Å; R89-E198 VanDerWaalsContact NH2-OE1 3.07Å; R89-E198 IonicContact NH2-OE2 2.75Å; R89-E198 PolarHBondContact NH2-OE2 3.44Å; I93-E198 HydrophobicContact CD1-CB 4.3Å; I93-E198 HydrophobicContact CD1-CG 3.87Å; S194-E198 PolarHBondContact O-N 2.75Å; L195-E198 PolarHBondContact O-N 3.21Å; Q196-E198 VanDerWaalsContact C-N 3.31Å; E198-D200 VanDerWaalsContact C-N 3.32Å; E198-D200 PolarHBondContact O-N 2.88Å; E198-I201 PolarHBondContact O-N 3.07Å; E198-L202 HydrophobicContact CG-CD1 4.1Å; E198-L202 HydrophobicContact CG-CG 4.43Å; E198-L202 VanDerWaalsContact O-CG 3.32Å; E198-L202 WeakPolarHBondContact O-CG 3.24Å; E198-L202 PolarHBondContact O-N 3.09Å
199L90.9Very high84.8Confident48 Ų4862.6 Ų62.625%0.25136%0.358SS..Hα-helixtrans-62.5-38.5178.6-171.464.1000112.4I93 L97 L195 Q196 L202 S203I93-L199 HydrophobicContact CG2-CB 4.08Å; I93-L199 HydrophobicContact CG2-CD1 4.31Å; I93-L199 HydrophobicContact CG2-CD2 4.45Å; L97-L199 HydrophobicContact CD1-CD2 4.28Å; L195-L199 WeakPolarHBondContact O-CB 3.32Å; L195-L199 PolarHBondContact O-N 3.39Å; Q196-L199 PolarHBondContact O-N 3.37Å; L199-L202 PolarHBondContact O-N 2.97Å; L199-S203 WeakPolarHBondContact O-CB 3.34Å; L199-S203 PolarHBondContact O-N 2.98Å
200D90.1Very high82.9Confident55 Ų5570.2 Ų70.229%0.29439%0.394SS..Hα-helixtrans-62.7-45.5175.1-179.563.6000111.1Q196 N197 E198 S203 K204Q196-D200 PolarHBondContact O-N 3.3Å; N197-D200 PolarHBondContact O-N 3.07Å; E198-D200 VanDerWaalsContact C-N 3.32Å; E198-D200 PolarHBondContact O-N 2.88Å; D200-S203 PolarHBondContact O-N 3.35Å; D200-S203 PolarHBondContact O-OG 3.14Å; D200-K204 WeakPolarHBondContact O-CG 3.48Å; D200-K204 PolarHBondContact O-N 3.34Å; D200-K204 VanDerWaalsContact O-N 3.09Å; D200-K204 VanDerWaalsContact OD1-CE 3.29Å; D200-K204 WeakPolarHBondContact OD1-CE 3.43Å; D200-K204 IonicContact OD1-NZ 3.58Å; D200-K204 PolarHBondContact OD1-NZ 3.38Å; D200-K204 WeakPolarHBondContact OD2-CE 3.41Å; D200-K204 IonicContact OD2-NZ 3.23Å; D200-K204 PolarHBondContact OD2-NZ 3.37Å
201I89.1Confident81Confident115 Ų11575.2 Ų75.259%0.5942%0.421SS*.Hα-helixtrans-62.5-46.3176.6-65.5164.1000111.1N197 E198 S203 K204 G205N197-I201 VanDerWaalsContact O-CG1 3.31Å; N197-I201 WeakPolarHBondContact O-CG1 3.44Å; N197-I201 PolarHBondContact O-N 2.83Å; E198-I201 PolarHBondContact O-N 3.07Å; I201-S203 VanDerWaalsContact C-N 3.3Å; I201-S203 PolarHBondContact O-N 2.83Å; I201-K204 PolarHBondContact O-N 3.05Å; I201-G205 PolarHBondContact O-N 3.05Å
202L88Confident78.9Confident60 Ų6080.2 Ų80.231%0.31445%0.447SS..Hα-helixtrans-61.7-38.6179-70.6173000112R89 P90 I93 E198 L199 S206R89-L202 HydrophobicContact CG-CD1 4.22Å; P90-L202 HydrophobicContact CG-CD1 4.46Å; I93-L202 HydrophobicContact CD1-CD1 3.66Å; E198-L202 HydrophobicContact CG-CD1 4.1Å; E198-L202 HydrophobicContact CG-CG 4.43Å; E198-L202 VanDerWaalsContact O-CG 3.32Å; E198-L202 WeakPolarHBondContact O-CG 3.24Å; E198-L202 PolarHBondContact O-N 3.09Å; L199-L202 PolarHBondContact O-N 2.97Å; L202-S206 PolarHBondContact O-N 3.3Å; L202-S206 PolarHBondContact O-OG 3.17Å
203S86Confident76.8Confident62 Ų6285.8 Ų85.843%0.43448%0.476SS..Hα-helixtrans-65.3-40.1176.776.80000112.6L199 D200 I201 S207L199-S203 WeakPolarHBondContact O-CB 3.34Å; L199-S203 PolarHBondContact O-N 2.98Å; D200-S203 PolarHBondContact O-N 3.35Å; D200-S203 PolarHBondContact O-OG 3.14Å; I201-S203 VanDerWaalsContact C-N 3.3Å; I201-S203 PolarHBondContact O-N 2.83Å; S203-S207 PolarHBondContact O-OG 2.89Å; S203-S207 VanDerWaalsContact O-OG 3.12Å
204K83.4Confident74.8Confident121 Ų12191.3 Ų91.353%0.52651%0.506SS..Hα-helixtrans-73.2-43.8178.3-71.3170-179.8167.40111.9D200 I201 S206 S207 I208D200-K204 WeakPolarHBondContact O-CG 3.48Å; D200-K204 PolarHBondContact O-N 3.34Å; D200-K204 VanDerWaalsContact O-N 3.09Å; D200-K204 VanDerWaalsContact OD1-CE 3.29Å; D200-K204 WeakPolarHBondContact OD1-CE 3.43Å; D200-K204 IonicContact OD1-NZ 3.58Å; D200-K204 PolarHBondContact OD1-NZ 3.38Å; D200-K204 WeakPolarHBondContact OD2-CE 3.41Å; D200-K204 IonicContact OD2-NZ 3.23Å; D200-K204 PolarHBondContact OD2-NZ 3.37Å; I201-K204 PolarHBondContact O-N 3.05Å; K204-S206 VanDerWaalsContact C-N 3.28Å; K204-S206 PolarHBondContact O-N 3.43Å; K204-S207 WeakPolarHBondContact O-CB 3.48Å; K204-S207 PolarHBondContact O-N 3.1Å; K204-I208 PolarHBondContact O-N 3.39Å
205G74.6Confident73Confident45 Ų4593.5 Ų93.546%0.46452%0.516SS..Hα-helixtrans-60.7-36.2179.600000113I201 S207 I208I201-G205 PolarHBondContact O-N 3.05Å; G205-S207 PolarHBondContact O-N 3.1Å; G205-I208 PolarHBondContact O-N 3.27Å
206S65.1Low71.1Confident104 Ų10499 Ų9973%0.72755%0.55SS*.THydrogen-bonded Turntrans-68-19.4175-52.10000113.4L202 K204L202-S206 PolarHBondContact O-N 3.3Å; L202-S206 PolarHBondContact O-OG 3.17Å; K204-S206 VanDerWaalsContact C-N 3.28Å; K204-S206 PolarHBondContact O-N 3.43Å
207S59.3Low69.4Low87 Ų87109.2 Ų109.261%0.60859%0.587SS**THydrogen-bonded Turntrans-97.8-3.4-178.1-54.70000113.3S203 K204 G205 N209S203-S207 PolarHBondContact O-OG 2.89Å; S203-S207 VanDerWaalsContact O-OG 3.12Å; K204-S207 WeakPolarHBondContact O-CB 3.48Å; K204-S207 PolarHBondContact O-N 3.1Å; G205-S207 PolarHBondContact O-N 3.1Å; S207-N209 PolarHBondContact O-N 3.43Å
208I58.8Low67.9Low126 Ų126109.8 Ų109.865%0.64660%0.598SS**  trans-75.383172.7-56174.3000106.8K204 G205 E210K204-I208 PolarHBondContact O-N 3.39Å; G205-I208 PolarHBondContact O-N 3.27Å; I208-E210 PolarHBondContact O-N 3.21Å
209N54.4Low66.6Low106 Ų106114.5 Ų114.557%0.56762%0.62SS**  trans-55.8122164.9-66.7-28000107.4S207 D211 N212S207-N209 PolarHBondContact O-N 3.43Å; N209-D211 PolarHBondContact O-N 3.29Å; N209-N212 PolarHBondContact O-N 2.94Å; N209-N212 VanDerWaalsContact O-N 3.13Å
210E57Low65.4Low165 Ų165117.9 Ų117.977%0.77165%0.645SS**G310 helixtrans-53.1-19.6176.4-68.2-174.8150.400112.4I208 N212 I213I208-E210 PolarHBondContact O-N 3.21Å; E210-N212 VanDerWaalsContact C-N 3.28Å; E210-N212 PolarHBondContact O-N 3.13Å; E210-I213 WeakPolarHBondContact O-CD1 3.36Å; E210-I213 VanDerWaalsContact O-CG1 3.3Å; E210-I213 WeakPolarHBondContact O-CG1 3.3Å
211D54.9Low64.4Low155 Ų155123.4 Ų123.483%0.82967%0.673SS**G310 helixtrans-71.2-13.3-179.5-60.6-31.1000114.8N209N209-D211 PolarHBondContact O-N 3.29Å
212N50.1Low63.4Low134 Ų134127.2 Ų127.272%0.71768%0.68SS**G310 helixtrans-98.923179.3-97-27000114.3N209 E210 N214N209-N212 PolarHBondContact O-N 2.94Å; N209-N212 VanDerWaalsContact O-N 3.13Å; E210-N212 VanDerWaalsContact C-N 3.28Å; E210-N212 PolarHBondContact O-N 3.13Å; N212-N214 PolarHBondContact O-N 2.89Å
213I51.8Low62.4Low134 Ų134130.1 Ų130.169%0.68770%0.703SS**  trans-78.353.3169-48.7163.5000109.8E210E210-I213 WeakPolarHBondContact O-CD1 3.36Å; E210-I213 VanDerWaalsContact O-CG1 3.3Å; E210-I213 WeakPolarHBondContact O-CG1 3.3Å
214N50.4Low61.7Low156 Ų156135.2 Ų135.283%0.83472%0.717SS**  trans-108.227.9158-106.7-12.6000110.2N212 T216N212-N214 PolarHBondContact O-N 2.89Å; N214-T216 VanDerWaalsContact C-N 3.28Å; N214-T216 PolarHBondContact O-N 2.87Å
215V55.4Low61Low115 Ų115134.3 Ų134.370%0.69772%0.717SS**  trans-67.297.2168.1-169.50000106.2R217V215-R217 PolarHBondContact O-N 2.66Å
216T56.9Low60.9Low120 Ų120139.6 Ų139.674%0.73673%0.733SS**  trans-29113.4165.448.70000108.5N214 S218N214-T216 VanDerWaalsContact C-N 3.28Å; N214-T216 PolarHBondContact O-N 2.87Å; T216-S218 PolarHBondContact O-N 3.02Å
217R56.5Low61.3Low253 Ų253136.5 Ų136.596%0.95571%0.71SS**  trans-46.493.4177-121.3176.8178.9172.7-0.5107.7V215 E219V215-R217 PolarHBondContact O-N 2.66Å; R217-E219 PolarHBondContact O-N 3.21Å
218S60.1Low62.2Low99 Ų99144.1 Ų144.169%0.69273%0.725SS**  trans-65.5129.1178.852.50000105.4T216T216-S218 PolarHBondContact O-N 3.02Å
219E65.6Low63Low144 Ų144140.8 Ų140.867%0.67371%0.713SS**  trans-45.6133.4-180-69.4-176177.500109.6R217 L221 R222R217-E219 PolarHBondContact O-N 3.21Å; E219-L221 PolarHBondContact O-N 3.3Å; E219-L221 VanDerWaalsContact O-N 3.12Å; E219-R222 IonicContact OE2-NH2 2.79Å
220P66.1Low63.9Low120 Ų120140 Ų14078%0.77972%0.722SS**PPolyproline II helixtrans-53.5125.9-178.420.8-31.1000109R222P220-R222 PolarHBondContact O-N 3.12Å
221L68.3Low64.5Low170 Ų170135.5 Ų135.589%0.8971%0.712SS**PPolyproline II helixtrans-52.7116.9-179.1-69.2169.1000108.6E219 P223E219-L221 PolarHBondContact O-N 3.3Å; E219-L221 VanDerWaalsContact O-N 3.12Å; L221-P223 WeakPolarHBondContact O-CD 3.14Å
222R69.5Low65.1Low196 Ų196132 Ų13274%0.7469%0.691SS**PPolyproline II helixtrans-69.2122.8179.8-58.7-178.2-155.4-174.86107.6E219 P220 F224E219-R222 IonicContact OE2-NH2 2.79Å; P220-R222 PolarHBondContact O-N 3.12Å; R222-F224 PolarHBondContact O-N 3.04Å
223P65.6Low65.9Low121 Ų121127.9 Ų127.979%0.78668%0.675SS**PPolyproline II helixtrans-61.1126.2176.924.4-31.7000108.9L221L221-P223 WeakPolarHBondContact O-CD 3.14Å
224F72.3Confident66.6Low168 Ų168124.6 Ų124.674%0.73767%0.668SS**  trans-114.2143.9175.967-88.2000109.6R222 I226R222-F224 PolarHBondContact O-N 3.04Å; F224-I226 HydrophobicContact CD2-CG1 4.2Å; F224-I226 HydrophobicContact CE2-CD1 4.27Å; F224-I226 HydrophobicContact CE2-CG1 3.87Å
225I67.4Low67.1Low103 Ų103121.3 Ų121.353%0.52865%0.653SS.*  trans-104128.3178.4-60178.6000107.9T227I225-T227 HydrophobicContact CB-CG2 4.44Å; I225-T227 HydrophobicContact CG2-CG2 3.77Å; I225-T227 PolarHBondContact O-N 3.23Å
226I73.2Confident67.2Low156 Ų156122.3 Ų122.380%0.865%0.649SS**  trans-82.297.7175.5-55.1174.4000108.1F224F224-I226 HydrophobicContact CD2-CG1 4.2Å; F224-I226 HydrophobicContact CE2-CD1 4.27Å; F224-I226 HydrophobicContact CE2-CG1 3.87Å
227T73.9Confident67.4Low38 Ų38117.7 Ų117.723%0.23363%0.625CS.*  trans-100.2145.5178.155.40000111.5I225 S229 Q232 A233I225-T227 HydrophobicContact CB-CG2 4.44Å; I225-T227 HydrophobicContact CG2-CG2 3.77Å; I225-T227 PolarHBondContact O-N 3.23Å; T227-S229 VanDerWaalsContact C-N 3.31Å; T227-S229 PolarHBondContact O-N 3.22Å; T227-S229 PolarHBondContact OG1-O 3.44Å; T227-Q232 HydrophobicContact CG2-CB 3.94Å; T227-A233 HydrophobicContact CG2-CB 4.45Å; T227-A233 WeakPolarHBondContact OG1-CA 3.29Å; T227-A233 VanDerWaalsContact OG1-CB 3.29Å; T227-A233 WeakPolarHBondContact OG1-CB 3.47Å; T227-A233 PolarHBondContact OG1-N 3.17Å
228R78Confident67.4Low248 Ų248110.2 Ų110.294%0.93662%0.617SS**SBendtrans-71.8-26.1-178.3-64.9-175-175.61772.1113.1
229S76.5Confident67Low56 Ų56108 Ų10839%0.39261%0.61SS.*SBendtrans-136151.7-17966.80000111.5T227 A231 Q232 A233T227-S229 VanDerWaalsContact C-N 3.31Å; T227-S229 PolarHBondContact O-N 3.22Å; T227-S229 PolarHBondContact OG1-O 3.44Å; S229-A231 PolarHBondContact O-N 2.99Å; S229-Q232 WeakPolarHBondContact O-CB 3.44Å; S229-Q232 PolarHBondContact O-N 3.05Å; S229-Q232 PolarHBondContact OG-N 3.13Å; S229-A233 PolarHBondContact O-N 2.87Å; S229-A233 VanDerWaalsContact O-N 3.16Å
230A73Confident66.6Low90 Ų90108 Ų10874%0.74461%0.605SS**Hα-helixtrans-58.6-32.6177.900000112.6A233 A234A230-A233 WeakPolarHBondContact O-CB 3.33Å; A230-A233 PolarHBondContact O-N 3.39Å; A230-A234 PolarHBondContact O-N 2.65Å; A230-A234 VanDerWaalsContact O-N 3.16Å
231A69.9Low66.3Low69 Ų69109.1 Ų109.157%0.5761%0.612SS**Hα-helixtrans-64.2-39.5174.600000112.2S229 A233 A234 V235S229-A231 PolarHBondContact O-N 2.99Å; A231-A233 VanDerWaalsContact C-N 3.34Å; A231-A234 PolarHBondContact O-N 3.32Å; A231-V235 WeakPolarHBondContact O-CG2 3.35Å; A231-V235 PolarHBondContact O-N 3.04Å
232Q66.5Low66Low83 Ų83104.6 Ų104.639%0.38859%0.594SS.*Hα-helixtrans-66.8-37.3174.5-76.9178.8-10.100111.7T227 S229 A234 V235 F236T227-Q232 HydrophobicContact CG2-CB 3.94Å; S229-Q232 WeakPolarHBondContact O-CB 3.44Å; S229-Q232 PolarHBondContact O-N 3.05Å; S229-Q232 PolarHBondContact OG-N 3.13Å; Q232-A234 PolarHBondContact O-N 2.83Å; Q232-V235 PolarHBondContact O-N 2.83Å; Q232-F236 PolarHBondContact O-N 3.45Å
233A67Low65.7Low46 Ų46102.4 Ų102.438%0.3860%0.597SS.*Hα-helixtrans-59.7-35.8175.700000112.1T227 S229 A230 A231T227-A233 HydrophobicContact CG2-CB 4.45Å; T227-A233 WeakPolarHBondContact OG1-CA 3.29Å; T227-A233 VanDerWaalsContact OG1-CB 3.29Å; T227-A233 WeakPolarHBondContact OG1-CB 3.47Å; T227-A233 PolarHBondContact OG1-N 3.17Å; S229-A233 PolarHBondContact O-N 2.87Å; S229-A233 VanDerWaalsContact O-N 3.16Å; A230-A233 WeakPolarHBondContact O-CB 3.33Å; A230-A233 PolarHBondContact O-N 3.39Å; A231-A233 VanDerWaalsContact C-N 3.34Å
234A65.6Low65.9Low66 Ų66102.2 Ų102.255%0.54560%0.595SS.*Hα-helixtrans-75.7-30.2179.600000113.4A230 A231 Q232A230-A234 PolarHBondContact O-N 2.65Å; A230-A234 VanDerWaalsContact O-N 3.16Å; A231-A234 PolarHBondContact O-N 3.32Å; Q232-A234 PolarHBondContact O-N 2.83Å
235V62Low66.1Low86 Ų86100.1 Ų100.152%0.52160%0.596SS.*Hα-helixtrans-90-38.6-177.9176.30000112A231 Q232A231-V235 WeakPolarHBondContact O-CG2 3.35Å; A231-V235 PolarHBondContact O-N 3.04Å; Q232-V235 PolarHBondContact O-N 2.83Å
236F58.1Low66.7Low137 Ų13798.4 Ų98.460%0.60159%0.587SS**SBendtrans-113101.5-175.4-67.6-76.9000110.7Q232Q232-F236 PolarHBondContact O-N 3.45Å
237G59.5Low67.2Low22 Ų2294.7 Ų94.723%0.22757%0.572CS.*SBendtrans154.1169.4166.400000113.9G239 Y240G237-G239 PolarHBondContact O-N 3.46Å; G237-Y240 WeakPolarHBondContact O-CD2 3.27Å
238A57.2Low67.4Low96 Ų96100.2 Ų100.279%0.79360%0.598SS**THydrogen-bonded Turntrans-65.75.4169.800000113.2Y240A238-Y240 VanDerWaalsContact C-N 3.29Å; A238-Y240 PolarHBondContact O-N 3.01Å
239G52.4Low67.5Low53 Ų5395.7 Ų95.755%0.54659%0.588SS.*THydrogen-bonded Turntrans-86.619.5175.600000114.3G237 P241G237-G239 PolarHBondContact O-N 3.46Å; G239-P241 WeakPolarHBondContact O-CD 3.35Å; G239-P241 VanDerWaalsContact O-N 3.14Å
240Y55.9Low68Low145 Ų14597.6 Ų97.657%0.56959%0.591SS**SBendtrans-50.8122.4154.3-70.7-78000106.5G237 A238 S242G237-Y240 WeakPolarHBondContact O-CD2 3.27Å; A238-Y240 VanDerWaalsContact C-N 3.29Å; A238-Y240 PolarHBondContact O-N 3.01Å; Y240-S242 WeakPolarHBondContact CB-O 3.42Å; Y240-S242 PolarHBondContact O-N 3.32Å
241P60.7Low68.6Low142 Ų14298.1 Ų98.192%0.92258%0.576SS**SBendtrans-55.9-14.9-174.112.6-24.6000113.5G239G239-P241 WeakPolarHBondContact O-CD 3.35Å; G239-P241 VanDerWaalsContact O-N 3.14Å
242S61.5Low69.2Low75 Ų7598.3 Ų98.352%0.52456%0.563SS.*SBendtrans-145.5145.4163.653.80000110.3Y240Y240-S242 WeakPolarHBondContact CB-O 3.42Å; Y240-S242 PolarHBondContact O-N 3.32Å
243L64.5Low70.2Confident150 Ų15099.2 Ų99.279%0.78557%0.57SS**  trans-52.2147.7162.1-69.3163.4000109.4T245L243-T245 PolarHBondContact O-N 3.46Å
244P69.7Low71.1Confident117 Ų117102 Ų10276%0.7658%0.575SS**  trans-52.4113.3171.7-24.433.7000109.7M246P244-M246 VanDerWaalsContact C-N 3.33Å
245T75.3Confident72.1Confident124 Ų124101.1 Ų101.176%0.76156%0.56SS**  trans-84.6-10.7-176.943.30000113L243L243-T245 PolarHBondContact O-N 3.46Å
246M79.3Confident73.2Confident68 Ų6898.7 Ų98.734%0.33555%0.545SS..SBendtrans-137.3150.3179.860.5-177.47000110.2P244 E250 F251P244-M246 VanDerWaalsContact C-N 3.33Å; M246-E250 WeakPolarHBondContact CA-OE2 3.4Å; M246-E250 HydrophobicContact CB-CB 4.2Å; M246-F251 HydrophobicContact CG-CB 4.31Å; M246-F251 HydrophobicContact SD-CB 3.87Å; M246-F251 HydrophobicContact SD-CD2 3.79Å; M246-F251 HydrophobicContact SD-CG 4.34Å
247T84.1Confident74.5Confident77 Ų7796.5 Ų96.547%0.47255%0.553SS.*  trans-72.6163.3174.6640000111E249 E250 F251T247-E249 PolarHBondContact O-N 3.45Å; T247-E250 PolarHBondContact N-OE2 3.04Å; T247-E250 PolarHBondContact O-N 3.37Å; T247-E250 WeakPolarHBondContact OG1-CB 3.47Å; T247-E250 VanDerWaalsContact OG1-CG 3.28Å; T247-E250 WeakPolarHBondContact OG1-CG 3.29Å; T247-E250 PolarHBondContact OG1-N 3.26Å; T247-E250 PolarHBondContact OG1-OE2 3.16Å; T247-F251 PolarHBondContact O-N 3.38Å
248I79Confident75.8Confident155 Ų15598.7 Ų98.780%0.79557%0.569SS**Hα-helixtrans-61-36.2177.7-61.5171.5000110.8Y252I248-Y252 PolarHBondContact O-N 3.4Å
249E80.9Confident77.1Confident153 Ų15397.2 Ų97.272%0.71556%0.563SS**Hα-helixtrans-67.6-48.1178-66.9179.4172.700111.2T247 F251 Y252 D253T247-E249 PolarHBondContact O-N 3.45Å; E249-F251 VanDerWaalsContact C-N 3.3Å; E249-F251 PolarHBondContact O-N 3.03Å; E249-Y252 WeakPolarHBondContact O-CB 3.45Å; E249-Y252 PolarHBondContact O-N 3.25Å; E249-Y252 VanDerWaalsContact O-N 3.1Å; E249-D253 PolarHBondContact O-N 3.11Å
250E85.4Confident78.4Confident96 Ų96101 Ų10145%0.44957%0.57SS.*Hα-helixtrans-59.9-40175.8-74.8170.2152.600112.4M246 T247 D253 Q254M246-E250 WeakPolarHBondContact CA-OE2 3.4Å; M246-E250 HydrophobicContact CB-CB 4.2Å; T247-E250 PolarHBondContact N-OE2 3.04Å; T247-E250 PolarHBondContact O-N 3.37Å; T247-E250 WeakPolarHBondContact OG1-CB 3.47Å; T247-E250 VanDerWaalsContact OG1-CG 3.28Å; T247-E250 WeakPolarHBondContact OG1-CG 3.29Å; T247-E250 PolarHBondContact OG1-N 3.26Å; T247-E250 PolarHBondContact OG1-OE2 3.16Å; E250-D253 PolarHBondContact O-N 3.49Å; E250-Q254 WeakPolarHBondContact O-CG 3.38Å; E250-Q254 PolarHBondContact O-N 3Å
251F85.3Confident79.6Confident101 Ų10197.1 Ų97.144%0.44356%0.559SS.*Hα-helixtrans-63.4-42.8175178.9-101.1000111.6M246 T247 E249 Q254 Q255M246-F251 HydrophobicContact CG-CB 4.31Å; M246-F251 HydrophobicContact SD-CB 3.87Å; M246-F251 HydrophobicContact SD-CD2 3.79Å; M246-F251 HydrophobicContact SD-CG 4.34Å; T247-F251 PolarHBondContact O-N 3.38Å; E249-F251 VanDerWaalsContact C-N 3.3Å; E249-F251 PolarHBondContact O-N 3.03Å; F251-Q254 PolarHBondContact O-N 3.01Å; F251-Q255 HydrophobicContact CD1-CG 4.2Å; F251-Q255 HydrophobicContact CD2-CG 4.47Å; F251-Q255 HydrophobicContact CE1-CG 3.83Å; F251-Q255 HydrophobicContact CE2-CG 4.13Å; F251-Q255 HydrophobicContact CZ-CG 3.81Å; F251-Q255 VanDerWaalsContact O-CG 3.23Å; F251-Q255 WeakPolarHBondContact O-CG 3.49Å; F251-Q255 PolarHBondContact O-N 3.18Å
252Y83.5Confident80.6Confident72 Ų7294.6 Ų94.628%0.28254%0.542SS..Hα-helixtrans-60.4-46.6176.6179.4-98000111.3I248 E249 Q254 Q255 V256 L261 P262I248-Y252 PolarHBondContact O-N 3.4Å; E249-Y252 WeakPolarHBondContact O-CB 3.45Å; E249-Y252 PolarHBondContact O-N 3.25Å; E249-Y252 VanDerWaalsContact O-N 3.1Å; Y252-Q254 PolarHBondContact O-N 3.26Å; Y252-Q255 PolarHBondContact O-N 3.28Å; Y252-V256 HydrophobicContact CD1-CG2 4.1Å; Y252-V256 HydrophobicContact CE1-CG2 3.67Å; Y252-V256 HydrophobicContact CE2-CG2 4.17Å; Y252-V256 WeakPolarHBondContact O-CG2 3.48Å; Y252-V256 PolarHBondContact O-N 2.86Å; Y252-L261 HydrophobicContact CD2-CD1 3.55Å; Y252-L261 HydrophobicContact CE2-CB 4.38Å; Y252-L261 HydrophobicContact CE2-CD1 3.79Å; Y252-P262 PolarHBondContact OH-O 3.08Å
253D87.1Confident81.4Confident102 Ų10295.2 Ų95.255%0.54554%0.544SS..Hα-helixtrans-63.3-40180-71.1-15.7000112.2E249 E250 V256 A257E249-D253 PolarHBondContact O-N 3.11Å; E250-D253 PolarHBondContact O-N 3.49Å; D253-V256 PolarHBondContact O-N 2.95Å; D253-A257 WeakPolarHBondContact O-CB 3.21Å; D253-A257 PolarHBondContact O-N 2.98Å
254Q85.7Confident81.8Confident105 Ų10592.5 Ų92.549%0.49154%0.535SS..Hα-helixtrans-62.6-41.5174.1-74.4177.119.500112.3E250 F251 Y252 A257 A258E250-Q254 WeakPolarHBondContact O-CG 3.38Å; E250-Q254 PolarHBondContact O-N 3Å; F251-Q254 PolarHBondContact O-N 3.01Å; Y252-Q254 PolarHBondContact O-N 3.26Å; Q254-A257 PolarHBondContact O-N 3.27Å; Q254-A258 VanDerWaalsContact O-CB 3.31Å; Q254-A258 WeakPolarHBondContact O-CB 3.28Å; Q254-A258 PolarHBondContact O-N 3Å
255Q87.1Confident81.7Confident48 Ų4895.6 Ų95.622%0.22454%0.537CS..Hα-helixtrans-70.3-33.6178.9-69.1-69.9-1.900112.5F251 Y252 G259 L260 L261F251-Q255 HydrophobicContact CD1-CG 4.2Å; F251-Q255 HydrophobicContact CD2-CG 4.47Å; F251-Q255 HydrophobicContact CE1-CG 3.83Å; F251-Q255 HydrophobicContact CE2-CG 4.13Å; F251-Q255 HydrophobicContact CZ-CG 3.81Å; F251-Q255 VanDerWaalsContact O-CG 3.23Å; F251-Q255 WeakPolarHBondContact O-CG 3.49Å; F251-Q255 PolarHBondContact O-N 3.18Å; Y252-Q255 PolarHBondContact O-N 3.28Å; Q255-G259 PolarHBondContact O-N 2.94Å; Q255-L260 PolarHBondContact O-N 3.04Å; Q255-L260 VanDerWaalsContact OE1-CD1 3.26Å; Q255-L261 HydrophobicContact CB-CB 4.18Å; Q255-L261 HydrophobicContact CB-CD1 3.5Å; Q255-L261 VanDerWaalsContact CB-CD1 3.5Å; Q255-L261 HydrophobicContact CB-CG 3.73Å; Q255-L261 HydrophobicContact CG-CD1 4.22Å; Q255-L261 PolarHBondContact O-N 2.86Å; Q255-L261 VanDerWaalsContact O-N 3.14Å
256V84.2Confident80.8Confident34 Ų3495.2 Ų95.221%0.20654%0.537CS..Hα-helixtrans-67.2-44.5170.7171.60000110.5Y252 D253 A258 G259 L261 P263Y252-V256 HydrophobicContact CD1-CG2 4.1Å; Y252-V256 HydrophobicContact CE1-CG2 3.67Å; Y252-V256 HydrophobicContact CE2-CG2 4.17Å; Y252-V256 WeakPolarHBondContact O-CG2 3.48Å; Y252-V256 PolarHBondContact O-N 2.86Å; D253-V256 PolarHBondContact O-N 2.95Å; V256-A258 VanDerWaalsContact C-N 3.29Å; V256-A258 PolarHBondContact O-N 3.42Å; V256-G259 WeakPolarHBondContact O-CA 3.34Å; V256-G259 PolarHBondContact O-N 2.85Å; V256-L261 HydrophobicContact CG2-CB 3.85Å; V256-P263 HydrophobicContact CG1-CB 3.86Å
257A86.5Confident79.4Confident92 Ų9299.4 Ų99.476%0.7656%0.559SS**Hα-helixtrans-63.6-34.8176.700000112.6D253 Q254 G259D253-A257 WeakPolarHBondContact O-CB 3.21Å; D253-A257 PolarHBondContact O-N 2.98Å; Q254-A257 PolarHBondContact O-N 3.27Å; A257-G259 PolarHBondContact O-N 3.45Å
258A87.2Confident77.5Confident68 Ų68102 Ų10256%0.56257%0.574SS**THydrogen-bonded Turntrans-74.3-6.6172.700000113.4Q254 V256 L260Q254-A258 VanDerWaalsContact O-CB 3.31Å; Q254-A258 WeakPolarHBondContact O-CB 3.28Å; Q254-A258 PolarHBondContact O-N 3Å; V256-A258 VanDerWaalsContact C-N 3.29Å; V256-A258 PolarHBondContact O-N 3.42Å; A258-L260 VanDerWaalsContact C-N 3.26Å; A258-L260 HydrophobicContact CB-CD1 4.01Å; A258-L260 PolarHBondContact O-N 3.23Å
259G83.6Confident75.6Confident65 Ų65103.7 Ų103.767%0.6758%0.579SS**THydrogen-bonded Turntrans74.910.4179.100000114.8Q255 V256 A257Q255-G259 PolarHBondContact O-N 2.94Å; V256-G259 WeakPolarHBondContact O-CA 3.34Å; V256-G259 PolarHBondContact O-N 2.85Å; A257-G259 PolarHBondContact O-N 3.45Å
260L80.2Confident73.7Confident133 Ų133101.8 Ų101.870%0.69658%0.583SS**SBendtrans-81.9-34177.4-81.3144.1000111.9Q255 A258Q255-L260 PolarHBondContact O-N 3.04Å; Q255-L260 VanDerWaalsContact OE1-CD1 3.26Å; A258-L260 VanDerWaalsContact C-N 3.26Å; A258-L260 HydrophobicContact CB-CD1 4.01Å; A258-L260 PolarHBondContact O-N 3.23Å
261L80.3Confident71.4Confident63 Ų63100.8 Ų100.833%0.3360%0.597SS.*SBendtrans-107.2142.8175-69.9-179.9000111.3Y252 Q255 V256Y252-L261 HydrophobicContact CD2-CD1 3.55Å; Y252-L261 HydrophobicContact CE2-CB 4.38Å; Y252-L261 HydrophobicContact CE2-CD1 3.79Å; Q255-L261 HydrophobicContact CB-CB 4.18Å; Q255-L261 HydrophobicContact CB-CD1 3.5Å; Q255-L261 VanDerWaalsContact CB-CD1 3.5Å; Q255-L261 HydrophobicContact CB-CG 3.73Å; Q255-L261 HydrophobicContact CG-CD1 4.22Å; Q255-L261 PolarHBondContact O-N 2.86Å; Q255-L261 VanDerWaalsContact O-N 3.14Å; V256-L261 HydrophobicContact CG2-CB 3.85Å
262P82.3Confident69.2Low88 Ų88102.5 Ų102.557%0.57162%0.622SS**PPolyproline II helixtrans-65.8138.8174.227-32.5000109.9Y252Y252-P262 PolarHBondContact OH-O 3.08Å
263P78.7Confident67Low89 Ų89101.3 Ų101.358%0.57863%0.631SS**PPolyproline II helixtrans-61.2150.8175.225.4-32.9000110.4V256 K265V256-P263 HydrophobicContact CG1-CB 3.86Å; P263-K265 PolarHBondContact O-N 3.01Å
264P71.3Confident64.9Low92 Ų92102.7 Ų102.760%0.59765%0.646SS**PPolyproline II helixtrans-57118.4-179.222.1-31.6000109.6
265K68.7Low62.9Low183 Ų183105 Ų10580%0.79666%0.662SS**PPolyproline II helixtrans-62.4132.1176.3-67179.9-179178.70108.4P263 I267P263-K265 PolarHBondContact O-N 3.01Å; K265-I267 PolarHBondContact O-N 3.48Å
266P57.1Low60.8Low116 Ų116108.9 Ų108.975%0.75369%0.688SS**PPolyproline II helixtrans-57.3129.5175.522-30.5000109.2V268P266-V268 PolarHBondContact O-N 2.95Å
267I49.7Very low59.1Low156 Ų156117.9 Ų117.980%0.872%0.719SS**  trans-65.997.7-176.8-58.2163.9000107.4K265 Q269K265-I267 PolarHBondContact O-N 3.48Å; I267-Q269 HydrophobicContact CG2-CG 4.44Å; I267-Q269 PolarHBondContact O-N 3.37Å; I267-Q269 VanDerWaalsContact O-N 3.08Å
268V44.4Very low57.2Low132 Ų132124.1 Ų124.180%0.872%0.723SS**  trans-71.3104.3166.8-162.10000105.7P266 S270P266-V268 PolarHBondContact O-N 2.95Å; V268-S270 VanDerWaalsContact C-N 3.26Å; V268-S270 PolarHBondContact O-N 3.49Å
269Q39.3Very low55.8Low190 Ų190128.2 Ų128.289%0.88873%0.733SS**  trans-66.185.1177-68.2-178.6-2.900109.4I267I267-Q269 HydrophobicContact CG2-CG 4.44Å; I267-Q269 PolarHBondContact O-N 3.37Å; I267-Q269 VanDerWaalsContact O-N 3.08Å
270S39.1Very low54.3Low113 Ų113131.4 Ų131.479%0.7974%0.735SS**  trans-148.2114.2163.9-169.30000109V268V268-S270 VanDerWaalsContact C-N 3.26Å; V268-S270 PolarHBondContact O-N 3.49Å
271G38.6Very low53.3Low74 Ų74126.7 Ų126.776%0.76371%0.712SS**  trans107.7101.6168.500000115G273G271-G273 PolarHBondContact O-N 2.96Å
272S39Very low52.8Low138 Ų138126.2 Ų126.297%0.96572%0.715SS**  trans-56.5113.3169.8166.70000112.7
273G37.5Very low52.3Low46 Ų46126 Ų12647%0.47472%0.72SS.*SBendtrans176.8138.2165.200000112.6G271 N275G271-G273 PolarHBondContact O-N 2.96Å; G273-N275 PolarHBondContact O-N 3.17Å
274P43.2Very low52Low131 Ų131129.3 Ų129.385%0.85173%0.728SS**  trans-65.5101.7176.724.9-30.6000110V276P274-V276 PolarHBondContact O-N 2.76Å
275N43.9Very low52.2Low154 Ų154130 Ų13082%0.82472%0.723SS**  trans-68.189.6177-87.7-21.1000110.4G273 R277G273-N275 PolarHBondContact O-N 3.17Å; N275-R277 PolarHBondContact O-N 2.87Å
276V41.7Very low52.5Low129 Ų129127.4 Ų127.478%0.78271%0.708SS**  trans-61.4106.3157.8178.40000106.4P274 R278P274-V276 PolarHBondContact O-N 2.76Å; V276-R278 PolarHBondContact O-N 2.82Å
277R48.2Very low53.5Low224 Ų224128.4 Ų128.485%0.84570%0.703SS**  trans-62.594.5175.2-67.3179.9175.7-172.6-1.2108.4N275 I279N275-R277 PolarHBondContact O-N 2.87Å; R277-I279 PolarHBondContact O-N 3.23Å
278R47.1Very low55Low223 Ų223123.2 Ų123.284%0.84268%0.683SS**  trans-66.9116.2161-88.9-175.8-179.3-180-0.1106.3V276 D280V276-R278 PolarHBondContact O-N 2.82Å; R278-D280 PolarHBondContact O-N 3.25Å; R278-D280 VanDerWaalsContact O-N 3.15Å
279I57Low56.7Low153 Ų153122.7 Ų122.779%0.78567%0.672SS**  trans-58.2114.7159.7-65.5161.8000104.2R277 P281R277-I279 PolarHBondContact O-N 3.23Å; I279-P281 VanDerWaalsContact O-CD 3.22Å; I279-P281 WeakPolarHBondContact O-CD 3.43Å; I279-P281 VanDerWaalsContact O-N 3.13Å
280D53.9Low58.8Low132 Ų132120 Ų12071%0.70666%0.66SS**PPolyproline II helixtrans-61.9116175.3-73.3-40.5000106.8R278 S282R278-D280 PolarHBondContact O-N 3.25Å; R278-D280 VanDerWaalsContact O-N 3.15Å; D280-S282 PolarHBondContact O-N 3.34Å
281P59.4Low60.8Low34 Ų34122.4 Ų122.422%0.22166%0.656CS.*PPolyproline II helixtrans-59.2141.7-178.521-30.3000109.3I279 E285 R286I279-P281 VanDerWaalsContact O-CD 3.22Å; I279-P281 WeakPolarHBondContact O-CD 3.43Å; I279-P281 VanDerWaalsContact O-N 3.13Å; P281-E285 WeakPolarHBondContact CA-OE2 3.42Å; P281-E285 HydrophobicContact CB-CB 3.75Å; P281-E285 WeakPolarHBondContact CB-OE2 3.43Å; P281-R286 HydrophobicContact CG-CG 4.24Å; P281-R286 PolarHBondContact O-NH2 2.96Å
282S68.5Low62.9Low54 Ų54126.4 Ų126.438%0.37865%0.652SS.*PPolyproline II helixtrans-56.6158.6177.185.40000109.9D280 E284 E285 R286D280-S282 PolarHBondContact O-N 3.34Å; S282-E284 PolarHBondContact O-N 3.16Å; S282-E284 VanDerWaalsContact O-N 3.16Å; S282-E284 PolarHBondContact OG-N 3.12Å; S282-E285 PolarHBondContact N-OE2 3.18Å; S282-E285 PolarHBondContact O-N 3.32Å; S282-E285 WeakPolarHBondContact OG-CG 3.36Å; S282-E285 PolarHBondContact OG-N 3.07Å; S282-R286 PolarHBondContact O-N 2.79Å
283A72.3Confident65Low83 Ų83126.3 Ų126.369%0.68663%0.634SS**Hα-helixtrans-54.2-37.5179.100000111.9R286 E287A283-R286 PolarHBondContact O-N 2.91Å; A283-E287 WeakPolarHBondContact O-CB 3.41Å; A283-E287 PolarHBondContact O-N 2.92Å
284E73.2Confident67.1Low158 Ų158126.9 Ų126.974%0.73863%0.634SS**Hα-helixtrans-67.6-40176.6-63.6178.5173.900112.6S282 A288S282-E284 PolarHBondContact O-N 3.16Å; S282-E284 VanDerWaalsContact O-N 3.16Å; S282-E284 PolarHBondContact OG-N 3.12Å; E284-A288 VanDerWaalsContact O-CB 3.27Å; E284-A288 WeakPolarHBondContact O-CB 3.45Å; E284-A288 PolarHBondContact O-N 3.16Å
285E75Confident68.9Low106 Ų106127.7 Ų127.750%0.49562%0.624SS.*Hα-helixtrans-66.7-40.3176.5-73.1173.7160.900111.3P281 S282 A288 E289P281-E285 WeakPolarHBondContact CA-OE2 3.42Å; P281-E285 HydrophobicContact CB-CB 3.75Å; P281-E285 WeakPolarHBondContact CB-OE2 3.43Å; S282-E285 PolarHBondContact N-OE2 3.18Å; S282-E285 PolarHBondContact O-N 3.32Å; S282-E285 WeakPolarHBondContact OG-CG 3.36Å; S282-E285 PolarHBondContact OG-N 3.07Å; E285-A288 PolarHBondContact O-N 3.37Å; E285-E289 WeakPolarHBondContact O-CB 3.45Å; E285-E289 WeakPolarHBondContact O-CG 3.49Å; E285-E289 PolarHBondContact O-N 3.06Å
286R74.3Confident70.5Confident129 Ų129125.5 Ų125.549%0.48761%0.609SS.*Hα-helixtrans-63.6-45.3177.4-128-179-76.4179.5-7.3111.4P281 S282 A283 E289 E290P281-R286 HydrophobicContact CG-CG 4.24Å; P281-R286 PolarHBondContact O-NH2 2.96Å; S282-R286 PolarHBondContact O-N 2.79Å; A283-R286 PolarHBondContact O-N 2.91Å; R286-E289 PolarHBondContact O-N 3.35Å; R286-E290 WeakPolarHBondContact O-CB 3.49Å; R286-E290 WeakPolarHBondContact O-CG 3.39Å; R286-E290 PolarHBondContact O-N 3.19Å
287E78.8Confident72.2Confident137 Ų137123 Ų12364%0.6459%0.592SS**Hα-helixtrans-66.2-37.6177-163.9175.7-17800111.7A283 K291A283-E287 WeakPolarHBondContact O-CB 3.41Å; A283-E287 PolarHBondContact O-N 2.92Å; E287-K291 VanDerWaalsContact O-CB 3.26Å; E287-K291 WeakPolarHBondContact O-CB 3.44Å; E287-K291 PolarHBondContact O-N 2.89Å
288A81.1Confident73.6Confident47 Ų47119.4 Ų119.439%0.38858%0.584SS.*Hα-helixtrans-67.9-38.917500000112.8E284 E285 K292E284-A288 VanDerWaalsContact O-CB 3.27Å; E284-A288 WeakPolarHBondContact O-CB 3.45Å; E284-A288 PolarHBondContact O-N 3.16Å; E285-A288 PolarHBondContact O-N 3.37Å; A288-K292 WeakPolarHBondContact O-CB 3.27Å; A288-K292 VanDerWaalsContact O-CG 3.32Å; A288-K292 WeakPolarHBondContact O-CG 3.46Å; A288-K292 PolarHBondContact O-N 3.24Å
289E80.4Confident74.8Confident122 Ų122112 Ų11257%0.5756%0.561SS**Hα-helixtrans-66.3-45.7173.8-79.5-171.3165.100111.6E285 R286 K291 K292 K293E285-E289 WeakPolarHBondContact O-CB 3.45Å; E285-E289 WeakPolarHBondContact O-CG 3.49Å; E285-E289 PolarHBondContact O-N 3.06Å; R286-E289 PolarHBondContact O-N 3.35Å; E289-K291 VanDerWaalsContact C-N 3.34Å; E289-K291 PolarHBondContact O-N 3.34Å; E289-K292 PolarHBondContact O-N 3.24Å; E289-K293 WeakPolarHBondContact O-CB 3.48Å; E289-K293 PolarHBondContact O-N 3.42Å
290E81.8Confident75.4Confident134 Ų134109.1 Ų109.163%0.62655%0.545SS*.Hα-helixtrans-60.2-43.6175.3-77.7-178.4176.700111.4R286 K292 K293 A294R286-E290 WeakPolarHBondContact O-CB 3.49Å; R286-E290 WeakPolarHBondContact O-CG 3.39Å; R286-E290 PolarHBondContact O-N 3.19Å; E290-K292 PolarHBondContact O-N 3.2Å; E290-K293 PolarHBondContact O-N 2.87Å; E290-A294 WeakPolarHBondContact O-CB 3.49Å; E290-A294 PolarHBondContact O-N 2.85Å
291K82.7Confident76.3Confident163 Ų163109.7 Ų109.771%0.70955%0.548SS*.Hα-helixtrans-66.5-37.6177.5-166.9174.5-173.51730112.8E287 E289 K295E287-K291 VanDerWaalsContact O-CB 3.26Å; E287-K291 WeakPolarHBondContact O-CB 3.44Å; E287-K291 PolarHBondContact O-N 2.89Å; E289-K291 VanDerWaalsContact C-N 3.34Å; E289-K291 PolarHBondContact O-N 3.34Å; K291-K295 VanDerWaalsContact O-CB 3.3Å; K291-K295 WeakPolarHBondContact O-CB 3.27Å; K291-K295 PolarHBondContact O-N 3.37Å
292K82.5Confident77.2Confident157 Ų157111.5 Ų111.568%0.68357%0.565SS**Hα-helixtrans-65.5-42.8173.6-82.1176.8180174.40111.3A288 E289 E290 K295 Q296A288-K292 WeakPolarHBondContact O-CB 3.27Å; A288-K292 VanDerWaalsContact O-CG 3.32Å; A288-K292 WeakPolarHBondContact O-CG 3.46Å; A288-K292 PolarHBondContact O-N 3.24Å; E289-K292 PolarHBondContact O-N 3.24Å; E290-K292 PolarHBondContact O-N 3.2Å; K292-K295 PolarHBondContact O-N 3.49Å; K292-Q296 WeakPolarHBondContact O-CB 3.28Å; K292-Q296 PolarHBondContact O-N 3.28Å
293K82.3Confident77.4Confident137 Ų137114.5 Ų114.560%0.59658%0.577SS**Hα-helixtrans-68.4-45-179.2-160.8177.2179.9-168.60111.5E289 E290 K295 Q296 D297E289-K293 WeakPolarHBondContact O-CB 3.48Å; E289-K293 PolarHBondContact O-N 3.42Å; E290-K293 PolarHBondContact O-N 2.87Å; K293-K295 VanDerWaalsContact C-N 3.33Å; K293-K295 PolarHBondContact O-N 2.99Å; K293-Q296 WeakPolarHBondContact O-CB 3.49Å; K293-Q296 PolarHBondContact O-N 3.1Å; K293-Q296 VanDerWaalsContact O-N 3.1Å; K293-D297 PolarHBondContact O-N 3.41Å
294A82.4Confident77.7Confident57 Ų57113.4 Ų113.447%0.47156%0.559SS.*Hα-helixtrans-59.5-42.9173.900000112.2E290 Q296 D297 E298E290-A294 WeakPolarHBondContact O-CB 3.49Å; E290-A294 PolarHBondContact O-N 2.85Å; A294-Q296 VanDerWaalsContact C-N 3.31Å; A294-Q296 PolarHBondContact O-N 2.96Å; A294-D297 PolarHBondContact O-N 2.87Å; A294-E298 WeakPolarHBondContact O-CB 3.43Å; A294-E298 PolarHBondContact O-N 3.46Å
295K79.8Confident78Confident148 Ų148110.2 Ų110.264%0.64355%0.552SS**Hα-helixtrans-65.9-33.8175.5-175.2175.6176.8179.10112.5K291 K292 K293 L299K291-K295 VanDerWaalsContact O-CB 3.3Å; K291-K295 WeakPolarHBondContact O-CB 3.27Å; K291-K295 PolarHBondContact O-N 3.37Å; K292-K295 PolarHBondContact O-N 3.49Å; K293-K295 VanDerWaalsContact C-N 3.33Å; K293-K295 PolarHBondContact O-N 2.99Å; K295-L299 WeakPolarHBondContact O-CB 3.33Å; K295-L299 PolarHBondContact O-N 3.45Å
296Q77.6Confident78.3Confident108 Ų108110.9 Ų110.951%0.50556%0.559SS.*Hα-helixtrans-70.4-49.3176.6-178175.7-1300110.7K292 K293 A294 E298 L299 E300K292-Q296 WeakPolarHBondContact O-CB 3.28Å; K292-Q296 PolarHBondContact O-N 3.28Å; K293-Q296 WeakPolarHBondContact O-CB 3.49Å; K293-Q296 PolarHBondContact O-N 3.1Å; K293-Q296 VanDerWaalsContact O-N 3.1Å; A294-Q296 VanDerWaalsContact C-N 3.31Å; A294-Q296 PolarHBondContact O-N 2.96Å; Q296-E298 VanDerWaalsContact C-N 3.3Å; Q296-E298 PolarHBondContact O-N 3.5Å; Q296-L299 WeakPolarHBondContact O-CB 3.4Å; Q296-L299 PolarHBondContact O-N 3.45Å; Q296-E300 HydrophobicContact CG-CG 4.5Å; Q296-E300 WeakPolarHBondContact CG-OE1 3.39Å; Q296-E300 PolarHBondContact NE2-OE1 3.29Å; Q296-E300 WeakPolarHBondContact O-CG 3.32Å; Q296-E300 PolarHBondContact O-N 3.06Å
297D77.3Confident78.5Confident77 Ų77107 Ų10741%0.41255%0.547SS..Hα-helixtrans-58.1-42.4177.7-70.1-0.5000110.8K293 A294 L299 E300 D301K293-D297 PolarHBondContact O-N 3.41Å; A294-D297 PolarHBondContact O-N 2.87Å; D297-L299 VanDerWaalsContact C-N 3.3Å; D297-L299 PolarHBondContact O-N 2.92Å; D297-E300 PolarHBondContact O-N 2.83Å; D297-E300 VanDerWaalsContact O-N 3.16Å; D297-D301 PolarHBondContact O-N 2.98Å
298E78.2Confident78.6Confident148 Ų148103.8 Ų103.869%0.69253%0.534SS*.Hα-helixtrans-66.6-30.1177-171.9159.8-165.200113.2A294 Q296 A302A294-E298 WeakPolarHBondContact O-CB 3.43Å; A294-E298 PolarHBondContact O-N 3.46Å; Q296-E298 VanDerWaalsContact C-N 3.3Å; Q296-E298 PolarHBondContact O-N 3.5Å; E298-A302 VanDerWaalsContact O-CB 3.27Å; E298-A302 WeakPolarHBondContact O-CB 3.3Å; E298-A302 PolarHBondContact O-N 3.06Å
299L72.8Confident78.7Confident67 Ų67104.7 Ų104.735%0.35154%0.538SS..Hα-helixtrans-76.5-31173.9-128.490000112K295 Q296 D297 D304 M307K295-L299 WeakPolarHBondContact O-CB 3.33Å; K295-L299 PolarHBondContact O-N 3.45Å; Q296-L299 WeakPolarHBondContact O-CB 3.4Å; Q296-L299 PolarHBondContact O-N 3.45Å; D297-L299 VanDerWaalsContact C-N 3.3Å; D297-L299 PolarHBondContact O-N 2.92Å; L299-D304 HydrophobicContact CD2-CB 4.46Å; L299-D304 HydrophobicContact CG-CB 4.22Å; L299-M307 HydrophobicContact CB-CE 3.65Å; L299-M307 HydrophobicContact CD2-CB 4.38Å; L299-M307 HydrophobicContact CD2-CE 4.22Å; L299-M307 HydrophobicContact CD2-CG 4.43Å; L299-M307 HydrophobicContact CG-CE 4.38Å; L299-M307 VanDerWaalsContact O-CE 3.27Å; L299-M307 WeakPolarHBondContact O-CE 3.27Å
300E68.9Low79Confident94 Ų94106.1 Ų106.144%0.43954%0.542SS..Hα-helixtrans-69.8-44.9174.5-70.5-178.8-167.300110.5Q296 D297 A302 D303 M307Q296-E300 HydrophobicContact CG-CG 4.5Å; Q296-E300 WeakPolarHBondContact CG-OE1 3.39Å; Q296-E300 PolarHBondContact NE2-OE1 3.29Å; Q296-E300 WeakPolarHBondContact O-CG 3.32Å; Q296-E300 PolarHBondContact O-N 3.06Å; D297-E300 PolarHBondContact O-N 2.83Å; D297-E300 VanDerWaalsContact O-N 3.16Å; E300-A302 VanDerWaalsContact C-N 3.31Å; E300-A302 PolarHBondContact O-N 3.34Å; E300-D303 PolarHBondContact O-N 2.95Å; E300-M307 VanDerWaalsContact CA-CE 3.44Å; E300-M307 HydrophobicContact CB-CE 3.95Å; E300-M307 HydrophobicContact CG-CE 3.27Å; E300-M307 HydrophobicContact CG-SD 3.78Å
301D73.1Confident79.2Confident144 Ų144102.2 Ų102.277%0.7753%0.532SS*.Hα-helixtrans-69.1-26.2177.4-77.7-16.8000113.4D297 D303D297-D301 PolarHBondContact O-N 2.98Å; D301-D303 PolarHBondContact O-N 3.1Å
302A77.8Confident79.6Confident71 Ų71102.6 Ų102.659%0.58753%0.529SS*.THydrogen-bonded Turntrans-77.9-0.1178.200000114.1E298 E300 D304E298-A302 VanDerWaalsContact O-CB 3.27Å; E298-A302 WeakPolarHBondContact O-CB 3.3Å; E298-A302 PolarHBondContact O-N 3.06Å; E300-A302 VanDerWaalsContact C-N 3.31Å; E300-A302 PolarHBondContact O-N 3.34Å; A302-D304 PolarHBondContact O-N 3.35Å
303D73.1Confident80Confident118 Ų11898.2 Ų98.263%0.63152%0.519SS*.THydrogen-bonded Turntrans4939.5-174.5-80.7-39.9000112.2E300 D301 P305 L308E300-D303 PolarHBondContact O-N 2.95Å; D301-D303 PolarHBondContact O-N 3.1Å; D303-P305 WeakPolarHBondContact O-CD 3.38Å; D303-P305 VanDerWaalsContact O-N 3.14Å; D303-L308 HydrophobicContact CB-CD1 4.41Å
304D77.9Confident80.2Confident59 Ų5997.4 Ų97.432%0.31652%0.515SS..  trans-59.9118-175.9-175.242.9000110.3L299 A302 D306 M307 L308L299-D304 HydrophobicContact CD2-CB 4.46Å; L299-D304 HydrophobicContact CG-CB 4.22Å; A302-D304 PolarHBondContact O-N 3.35Å; D304-D306 PolarHBondContact O-N 3.34Å; D304-M307 HydrophobicContact CB-CB 4.46Å; D304-M307 PolarHBondContact O-N 3.02Å; D304-L308 PolarHBondContact O-N 3.26Å; D304-L308 VanDerWaalsContact O-N 3.12Å
305P80.9Confident80.7Confident91 Ų9198.7 Ų98.759%0.59151%0.514SS*.Hα-helixtrans-60.7-33.2-168.921.6-34.8000113.1D303 S309D303-P305 WeakPolarHBondContact O-CD 3.38Å; D303-P305 VanDerWaalsContact O-N 3.14Å; P305-S309 WeakPolarHBondContact O-CB 3.42Å; P305-S309 PolarHBondContact O-N 3.02Å
306D80.2Confident81.3Confident120 Ų12096.4 Ų96.464%0.64251%0.509SS*.Hα-helixtrans-65.9-42.3178.9-77.6-6.8000110.9D304 S309 K310D304-D306 PolarHBondContact O-N 3.34Å; D306-S309 PolarHBondContact O-N 3.43Å; D306-S309 PolarHBondContact O-OG 3.41Å; D306-K310 WeakPolarHBondContact O-CB 3.33Å; D306-K310 PolarHBondContact O-N 2.98Å
307M79.6Confident81.9Confident47 Ų4796.1 Ų96.123%0.23251%0.506CS..Hα-helixtrans-71.2-38.7-179.7-150.9-120.5-60.100112L299 E300 D304 S309 K310 A311L299-M307 HydrophobicContact CB-CE 3.65Å; L299-M307 HydrophobicContact CD2-CB 4.38Å; L299-M307 HydrophobicContact CD2-CE 4.22Å; L299-M307 HydrophobicContact CD2-CG 4.43Å; L299-M307 HydrophobicContact CG-CE 4.38Å; L299-M307 VanDerWaalsContact O-CE 3.27Å; L299-M307 WeakPolarHBondContact O-CE 3.27Å; E300-M307 VanDerWaalsContact CA-CE 3.44Å; E300-M307 HydrophobicContact CB-CE 3.95Å; E300-M307 HydrophobicContact CG-CE 3.27Å; E300-M307 HydrophobicContact CG-SD 3.78Å; D304-M307 HydrophobicContact CB-CB 4.46Å; D304-M307 PolarHBondContact O-N 3.02Å; M307-S309 PolarHBondContact O-N 3.05Å; M307-K310 PolarHBondContact O-N 3.48Å; M307-A311 WeakPolarHBondContact O-CB 3.23Å; M307-A311 PolarHBondContact O-N 3.16Å
308L81Confident82.4Confident70 Ų7097.1 Ų97.137%0.36651%0.507SS..Hα-helixtrans-60.4-43171.4-76171.4000112.1D303 D304 K310 A311 R312D303-L308 HydrophobicContact CB-CD1 4.41Å; D304-L308 PolarHBondContact O-N 3.26Å; D304-L308 VanDerWaalsContact O-N 3.12Å; L308-K310 VanDerWaalsContact C-N 3.3Å; L308-K310 PolarHBondContact O-N 3.22Å; L308-A311 PolarHBondContact O-N 2.95Å; L308-R312 WeakPolarHBondContact O-CB 3.22Å; L308-R312 VanDerWaalsContact O-CG 3.28Å; L308-R312 WeakPolarHBondContact O-CG 3.45Å; L308-R312 PolarHBondContact O-N 3.03Å
309S82.9Confident82.9Confident66 Ų6696.8 Ų96.846%0.46251%0.51SS..Hα-helixtrans-63.6-38.2176.682.10000112P305 D306 M307 S313P305-S309 WeakPolarHBondContact O-CB 3.42Å; P305-S309 PolarHBondContact O-N 3.02Å; D306-S309 PolarHBondContact O-N 3.43Å; D306-S309 PolarHBondContact O-OG 3.41Å; M307-S309 PolarHBondContact O-N 3.05Å; S309-S313 WeakPolarHBondContact O-CB 3.22Å; S309-S313 PolarHBondContact O-N 2.84Å; S309-S313 PolarHBondContact O-OG 3.36Å
310K86.2Confident83.6Confident153 Ų153100.9 Ų100.967%0.66553%0.528SS*.Hα-helixtrans-71-39.7178.6-167.5175.6-177.9179.70112D306 M307 L308 S313 F314D306-K310 WeakPolarHBondContact O-CB 3.33Å; D306-K310 PolarHBondContact O-N 2.98Å; M307-K310 PolarHBondContact O-N 3.48Å; L308-K310 VanDerWaalsContact C-N 3.3Å; L308-K310 PolarHBondContact O-N 3.22Å; K310-S313 WeakPolarHBondContact CA-OG 3.43Å; K310-S313 PolarHBondContact O-OG 3.35Å; K310-F314 WeakPolarHBondContact O-CB 3.5Å; K310-F314 PolarHBondContact O-N 2.94Å
311A87.1Confident84.4Confident51 Ų51100.8 Ų100.842%0.42153%0.527SS..Hα-helixtrans-63-45.8174.200000111.1M307 L308 F314 D315M307-A311 WeakPolarHBondContact O-CB 3.23Å; M307-A311 PolarHBondContact O-N 3.16Å; L308-A311 PolarHBondContact O-N 2.95Å; A311-F314 PolarHBondContact O-N 3.04Å; A311-D315 PolarHBondContact O-N 2.92Å
312R89.6Confident84.8Confident171 Ų171103.7 Ų103.765%0.64553%0.527SS*.Hα-helixtrans-61.6-51.1176.8-71.6175.3-172.1-1754.2112.5L308 F314 D315 D316L308-R312 WeakPolarHBondContact O-CB 3.22Å; L308-R312 VanDerWaalsContact O-CG 3.28Å; L308-R312 WeakPolarHBondContact O-CG 3.45Å; L308-R312 PolarHBondContact O-N 3.03Å; R312-F314 PolarHBondContact O-N 3.45Å; R312-D315 PolarHBondContact O-N 2.9Å; R312-D315 VanDerWaalsContact O-N 3.08Å; R312-D316 PolarHBondContact O-N 2.91Å
313S90.5Very high84.7Confident66 Ų66112.2 Ų112.246%0.46254%0.544SS..Hα-helixtrans-61.8-31177.352.90000112.9S309 K310 F317S309-S313 WeakPolarHBondContact O-CB 3.22Å; S309-S313 PolarHBondContact O-N 2.84Å; S309-S313 PolarHBondContact O-OG 3.36Å; K310-S313 WeakPolarHBondContact CA-OG 3.43Å; K310-S313 PolarHBondContact O-OG 3.35Å; S313-F317 WeakPolarHBondContact O-CB 3.45Å; S313-F317 PolarHBondContact O-N 3.43Å
314F88.1Confident84.8Confident119 Ų119109.1 Ų109.152%0.52254%0.54SS..Hα-helixtrans-74.1-32.5175.1-168.5-118.2000113K310 A311 R312 K318K310-F314 WeakPolarHBondContact O-CB 3.5Å; K310-F314 PolarHBondContact O-N 2.94Å; A311-F314 PolarHBondContact O-N 3.04Å; R312-F314 PolarHBondContact O-N 3.45Å; F314-K318 VanDerWaalsContact CD1-CE 3.44Å; F314-K318 WeakPolarHBondContact O-CG 3.26Å; F314-K318 PolarHBondContact O-N 3.39Å
315D91.2Very high84.5Confident84 Ų84109.5 Ų109.545%0.44955%0.547SS..Hα-helixtrans-73.7-42.7172.7-79.6-9.7000111.8A311 R312 F317 K318 D319A311-D315 PolarHBondContact O-N 2.92Å; R312-D315 PolarHBondContact O-N 2.9Å; R312-D315 VanDerWaalsContact O-N 3.08Å; D315-F317 PolarHBondContact O-N 2.95Å; D315-K318 WeakPolarHBondContact O-CB 3.49Å; D315-K318 PolarHBondContact O-N 2.92Å; D315-K318 IonicContact OD1-NZ 3.19Å; D315-K318 PolarHBondContact OD1-NZ 3.18Å; D315-D319 PolarHBondContact O-N 2.99Å
316D92.7Very high84.2Confident100 Ų100107.8 Ų107.854%0.53555%0.546SS..Hα-helixtrans-54.6-43.3171.4-67.5-23.3000110.7R312 K318 D319 E320R312-D316 PolarHBondContact O-N 2.91Å; D316-K318 PolarHBondContact O-N 2.88Å; D316-D319 PolarHBondContact O-N 3.15Å; D316-E320 PolarHBondContact O-N 3.39Å
317F90.3Very high83.9Confident102 Ų102108.9 Ų108.945%0.44755%0.552SS.*Hα-helixtrans-61.5-41.9175.7173.7-95.4000112.8S313 D315 D319 E320 H321S313-F317 WeakPolarHBondContact O-CB 3.45Å; S313-F317 PolarHBondContact O-N 3.43Å; D315-F317 PolarHBondContact O-N 2.95Å; F317-D319 VanDerWaalsContact C-N 3.33Å; F317-E320 PolarHBondContact O-N 2.87Å; F317-H321 AromaticContact CD2-CE1 3.68Å; F317-H321 AromaticContact CD2-ND1 3.35Å; F317-H321 WeakPolarHBondContact CD2-ND1 3.49Å; F317-H321 HydrophobicContact CE1-CB 4.26Å; F317-H321 HydrophobicContact CE2-CB 4.27Å; F317-H321 AromaticContact CE2-CD2 3.92Å; F317-H321 AromaticContact CE2-CE1 3.54Å; F317-H321 AromaticContact CE2-CG 3.6Å; F317-H321 AromaticContact CE2-ND1 3.33Å; F317-H321 VanDerWaalsContact CE2-ND1 3.33Å; F317-H321 WeakPolarHBondContact CE2-ND1 3.39Å; F317-H321 AromaticContact CE2-NE2 3.88Å; F317-H321 HydrophobicContact CZ-CB 4.04Å; F317-H321 AromaticContact CZ-CG 3.82Å; F317-H321 AromaticContact CZ-ND1 3.99Å; F317-H321 VanDerWaalsContact O-CB 3.27Å; F317-H321 WeakPolarHBondContact O-CB 3.34Å; F317-H321 PolarHBondContact O-N 3.46Å; F317-H321 PolarHBondContact O-ND1 3.41Å
318K88.3Confident83.5Confident99 Ų99115.2 Ų115.243%0.4357%0.573SS.*Hα-helixtrans-67.2-35.6178.4-73.8172.3-162.6150.40112.2F314 D315 D316 H321 R322F314-K318 VanDerWaalsContact CD1-CE 3.44Å; F314-K318 WeakPolarHBondContact O-CG 3.26Å; F314-K318 PolarHBondContact O-N 3.39Å; D315-K318 WeakPolarHBondContact O-CB 3.49Å; D315-K318 PolarHBondContact O-N 2.92Å; D315-K318 IonicContact OD1-NZ 3.19Å; D315-K318 PolarHBondContact OD1-NZ 3.18Å; D316-K318 PolarHBondContact O-N 2.88Å; K318-H321 CarbonylContact O-C 3.31Å; K318-H321 VanDerWaalsContact O-C 3.31Å; K318-H321 PolarHBondContact O-N 2.86Å; K318-R322 PolarHBondContact O-N 3.25Å
319D88.9Confident82.3Confident140 Ų140119.1 Ų119.175%0.74959%0.592SS**Hα-helixtrans-68.8-40.4177.8-77.7-11.7000111D315 D316 F317D315-D319 PolarHBondContact O-N 2.99Å; D316-D319 PolarHBondContact O-N 3.15Å; F317-D319 VanDerWaalsContact C-N 3.33Å
320E87.5Confident81.2Confident154 Ų154123.5 Ų123.572%0.7261%0.61SS**Hα-helixtrans-70.4-35.8172.3-71.1-174.8172.600112.9D316 F317D316-E320 PolarHBondContact O-N 3.39Å; F317-E320 PolarHBondContact O-N 2.87Å
321H86.4Confident79.6Confident92 Ų92127.2 Ų127.243%0.42662%0.62SS.*SBendtrans-113.268.2-174.3-5976.2000111.7F317 K318 R323F317-H321 AromaticContact CD2-CE1 3.68Å; F317-H321 AromaticContact CD2-ND1 3.35Å; F317-H321 WeakPolarHBondContact CD2-ND1 3.49Å; F317-H321 HydrophobicContact CE1-CB 4.26Å; F317-H321 HydrophobicContact CE2-CB 4.27Å; F317-H321 AromaticContact CE2-CD2 3.92Å; F317-H321 AromaticContact CE2-CE1 3.54Å; F317-H321 AromaticContact CE2-CG 3.6Å; F317-H321 AromaticContact CE2-ND1 3.33Å; F317-H321 VanDerWaalsContact CE2-ND1 3.33Å; F317-H321 WeakPolarHBondContact CE2-ND1 3.39Å; F317-H321 AromaticContact CE2-NE2 3.88Å; F317-H321 HydrophobicContact CZ-CB 4.04Å; F317-H321 AromaticContact CZ-CG 3.82Å; F317-H321 AromaticContact CZ-ND1 3.99Å; F317-H321 VanDerWaalsContact O-CB 3.27Å; F317-H321 WeakPolarHBondContact O-CB 3.34Å; F317-H321 PolarHBondContact O-N 3.46Å; F317-H321 PolarHBondContact O-ND1 3.41Å; K318-H321 CarbonylContact O-C 3.31Å; K318-H321 VanDerWaalsContact O-C 3.31Å; K318-H321 PolarHBondContact O-N 2.86Å; H321-R323 PolarHBondContact O-N 3.14Å
322R80.3Confident77.7Confident204 Ų204132.9 Ų132.977%0.7767%0.666SS**  trans-51.5136175.3-169-179.5-178.492.4-1110.6K318 G324 S325K318-R322 PolarHBondContact O-N 3.25Å; R322-G324 PolarHBondContact O-N 3Å; R322-G324 VanDerWaalsContact O-N 3.11Å; R322-S325 PolarHBondContact N-OG 3.39Å; R322-S325 VanDerWaalsContact O-CB 3.29Å; R322-S325 WeakPolarHBondContact O-CB 3.33Å; R322-S325 PolarHBondContact O-N 3.35Å; R322-S325 PolarHBondContact O-OG 3.33Å
323R76.1Confident77.1Confident250 Ų250131 Ų13194%0.94367%0.667SS**THydrogen-bonded Turntrans-48.8121.9176.2-74.2-172.1175.6-144.20.3111H321H321-R323 PolarHBondContact O-N 3.14Å
324G76.1Confident76.4Confident54 Ų54134.4 Ų134.456%0.55768%0.678SS**THydrogen-bonded Turntrans877.4-17700000115.5R322 G326 R328R322-G324 PolarHBondContact O-N 3Å; R322-G324 VanDerWaalsContact O-N 3.11Å; G324-G326 PolarHBondContact O-N 3.24Å; G324-R328 PolarHBondContact O-NE 2.97Å; G324-R328 VanDerWaalsContact O-NE 3.13Å; G324-R328 PolarHBondContact O-NH2 3.08Å; G324-R328 VanDerWaalsContact O-NH2 3.17Å
325S70.9Confident75.7Confident66 Ų66135.2 Ų135.246%0.46269%0.687SS.*  trans-8195.7159.561.80000107.8R322R322-S325 PolarHBondContact N-OG 3.39Å; R322-S325 VanDerWaalsContact O-CB 3.29Å; R322-S325 WeakPolarHBondContact O-CB 3.33Å; R322-S325 PolarHBondContact O-N 3.35Å; R322-S325 PolarHBondContact O-OG 3.33Å
326G75.2Confident74.8Confident55 Ų55138.2 Ų138.257%0.56770%0.701SS**SBendtrans-178.2-172.2-173.500000108.8G324 R328G324-G326 PolarHBondContact O-N 3.24Å; G326-R328 WeakPolarHBondContact O-CG 3.31Å; G326-R328 PolarHBondContact O-N 3.37Å
327N72.5Confident73.7Confident143 Ų143140.6 Ų140.677%0.76571%0.711SS**  trans-57.2104.1-176.9-171.418.9000111.7M329N327-M329 WeakPolarHBondContact OD1-CB 3.49Å; N327-M329 PolarHBondContact OD1-N 3.06Å
328R72Confident72.6Confident180 Ų180143.2 Ų143.268%0.67973%0.729SS**  trans-95.20174.6-63.4-171.6-178.2-177.82112.6G324 G326 N330 R331G324-R328 PolarHBondContact O-NE 2.97Å; G324-R328 VanDerWaalsContact O-NE 3.13Å; G324-R328 PolarHBondContact O-NH2 3.08Å; G324-R328 VanDerWaalsContact O-NH2 3.17Å; G326-R328 WeakPolarHBondContact O-CG 3.31Å; G326-R328 PolarHBondContact O-N 3.37Å; R328-N330 PolarHBondContact O-N 2.83Å; R328-R331 PolarHBondContact O-N 2.89Å
329M55.3Low71.5Confident152 Ų152146.4 Ų146.475%0.74975%0.75SS**THydrogen-bonded Turntrans-63.7107.3172.8-136.1169.5-171.700106N327N327-M329 WeakPolarHBondContact OD1-CB 3.49Å; N327-M329 PolarHBondContact OD1-N 3.06Å
330N59.2Low70.1Confident158 Ų158146.8 Ų146.885%0.84575%0.75SS**THydrogen-bonded Turntrans99.618.6-174.2-45.5-19.2000117.4R328R328-N330 PolarHBondContact O-N 2.83Å
331R53.9Low68.7Low232 Ų232146.3 Ų146.388%0.87575%0.753SS**  trans-109.773.6156.5-71.6-165.1-176.8-159.71.2110.6R328R328-R331 PolarHBondContact O-N 2.89Å
332A46.4Very low67.1Low169 Ų169151.2 Ų151.2100%1.39778%0.783SS**  trans-1280151.900000105.9

Retrieved 332 of 332 residues in 471.1 ms (Link to these results)

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