A0A5K4F9P0_SCHMA Loading...

Dolichyldiphosphatase AlphaSync

Required for efficient N-glycosylation. Necessary for maintaining optimal levels of dolichol-linked oligosaccharides. Hydrolyzes dolichyl pyrophosphate at a very high rate and dolichyl monophosphate at a much lower rate. Does not act on phosphatidate.

AlphaFold DB , UniProt , Accession A0A5K4F9P0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 223 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
1M53.2Low79.3Confident174 Ų17488.5 Ų88.586%0.85748%0.481SS*.  0-68.20-68.2-165.2-170.700114.4E4M1-E4 WeakPolarHBondContact CA-OE2 3.36Å; M1-E4 PolarHBondContact N-OE1 2.97Å; M1-E4 PolarHBondContact N-OE2 2.73Å; M1-E4 PolarHBondContact O-N 3.26Å
2A57.7Low80Confident35 Ų3591.5 Ų91.529%0.28950%0.495SS..  trans-72.1-36.3-176.700000114.1E4 R5 W7 I83 L147A2-E4 VanDerWaalsContact C-N 3.25Å; A2-E4 PolarHBondContact O-N 2.89Å; A2-R5 PolarHBondContact O-N 2.98Å; A2-W7 PolarHBondContact O-NE1 3.32Å; A2-I83 HydrophobicContact CB-CD1 3.97Å; A2-L147 HydrophobicContact CB-CD1 3.67Å
3S58.1Low80.5Confident96 Ų9689.2 Ų89.267%0.67148%0.478SS*.THydrogen-bonded Turntrans-73-14.1175.158.60000114
4E69.6Low81Confident151 Ų15193.1 Ų93.171%0.70649%0.491SS*.THydrogen-bonded Turntrans-83.7-18.2177.2-72.9152.2-142.400112M1 A2M1-E4 WeakPolarHBondContact CA-OE2 3.36Å; M1-E4 PolarHBondContact N-OE1 2.97Å; M1-E4 PolarHBondContact N-OE2 2.73Å; M1-E4 PolarHBondContact O-N 3.26Å; A2-E4 VanDerWaalsContact C-N 3.25Å; A2-E4 PolarHBondContact O-N 2.89Å
5R80.3Confident81.8Confident141 Ų14187.8 Ų87.853%0.53246%0.464SS..SBendtrans-81.1133.2178.1-64.3-174.7-178.6-179.5-1.4109A2 W7 P18A2-R5 PolarHBondContact O-N 2.98Å; R5-W7 PolarHBondContact O-NE1 3.41Å; R5-P18 HydrophobicContact CB-CB 4.35Å
6S90.4Very high82.6Confident66 Ų6685.6 Ų85.646%0.46245%0.45SS..  trans-67.3139164.3-173.20000108.9E19S6-E19 VanDerWaalsContact CB-CD 3.43Å; S6-E19 WeakPolarHBondContact CB-OE1 3.4Å; S6-E19 WeakPolarHBondContact O-CB 3.42Å; S6-E19 PolarHBondContact O-N 3Å; S6-E19 PolarHBondContact OG-OE1 3.07Å
7W93.7Very high83.3Confident41 Ų4181.4 Ų81.416%0.15543%0.427CS..EExtended strand (participates in β ladder)trans-115.7141.3177.2-6971.9000108.8A2 R5 E16 Y17 P18 I83 H84 L146 L147A2-W7 PolarHBondContact O-NE1 3.32Å; R5-W7 PolarHBondContact O-NE1 3.41Å; W7-E16 HydrophobicContact CE3-CB 4.27Å; W7-Y17 WeakPolarHBondContact CA-O 3.2Å; W7-Y17 VanDerWaalsContact CE3-C 3.41Å; W7-Y17 VanDerWaalsContact CE3-CA 3.5Å; W7-P18 HydrophobicContact CD2-CG 4.22Å; W7-P18 HydrophobicContact CE3-CG 4.17Å; W7-P18 HydrophobicContact CH2-CG 3.68Å; W7-P18 HydrophobicContact CZ2-CG 3.71Å; W7-P18 HydrophobicContact CZ3-CG 3.92Å; W7-I83 HydrophobicContact CD2-CG2 3.67Å; W7-I83 VanDerWaalsContact CE2-CG2 3.42Å; W7-I83 HydrophobicContact CE3-CG2 4.05Å; W7-I83 HydrophobicContact CG-CG2 4.16Å; W7-I83 HydrophobicContact CH2-CG2 4.04Å; W7-I83 HydrophobicContact CZ2-CD1 4.27Å; W7-I83 HydrophobicContact CZ2-CG2 3.65Å; W7-I83 HydrophobicContact CZ3-CG2 4.22Å; W7-H84 AromaticContact CE3-CE1 3.81Å; W7-H84 AromaticContact CZ3-CE1 3.77Å; W7-L146 HydrophobicContact CZ3-CD2 4.43Å; W7-L147 HydrophobicContact CH2-CB 4.39Å; W7-L147 HydrophobicContact CH2-CD1 4.06Å; W7-L147 HydrophobicContact CH2-CG 4.23Å; W7-L147 HydrophobicContact CZ2-CD1 3.89Å
8K93.2Very high83.9Confident87 Ų8777.2 Ų77.238%0.37841%0.405SS..EExtended strand (participates in β ladder)trans-133.8146.6175.868.5179.5177.2-168.30112.3E16 Y17 E19K8-E16 WeakPolarHBondContact O-CA 3.46Å; K8-Y17 WeakPolarHBondContact CE-OH 3.39Å; K8-Y17 HydrophobicContact CG-CE1 4.08Å; K8-Y17 PolarHBondContact N-O 3.19Å; K8-Y17 VanDerWaalsContact O-CD1 3.29Å; K8-Y17 WeakPolarHBondContact O-CD1 3.45Å; K8-Y17 PolarHBondContact O-N 2.91Å; K8-E19 HydrophobicContact CB-CG 4.28Å; K8-E19 HydrophobicContact CD-CG 3.9Å; K8-E19 HydrophobicContact CG-CG 3.97Å
9P94Very high84.3Confident65 Ų6577.9 Ų77.942%0.42241%0.406SS..EExtended strand (participates in β ladder)trans-74151.7177.729.1-33.9000112.2V15 E16P9-V15 CarbonylContact C-O 3.59Å; P9-V15 WeakPolarHBondContact CA-O 3.35Å; P9-E16 HydrophobicContact CB-CG 4.3Å
10L93.2Very high84.6Confident4 Ų479.6 Ų79.62%0.02143%0.432CS..  trans-61.1135.4156.3-69-179.3000109.3L12 F13 H14 V15 Y17 K25 A28 Y29L10-L12 VanDerWaalsContact C-N 3.26Å; L10-L12 PolarHBondContact O-N 2.91Å; L10-F13 PolarHBondContact O-N 3.35Å; L10-H14 PolarHBondContact O-N 3.47Å; L10-V15 HydrophobicContact CD1-CB 4.27Å; L10-V15 PolarHBondContact N-O 3.04Å; L10-Y17 HydrophobicContact CD2-CD1 4.23Å; L10-Y17 HydrophobicContact CD2-CE1 3.86Å; L10-Y17 HydrophobicContact CG-CD1 4.48Å; L10-Y17 HydrophobicContact CG-CE1 4.47Å; L10-K25 HydrophobicContact CD2-CG 4.37Å; L10-A28 HydrophobicContact CD1-CB 3.71Å; L10-A28 HydrophobicContact CD2-CB 4.25Å; L10-A28 HydrophobicContact CG-CB 3.91Å; L10-Y29 HydrophobicContact CD1-CD1 3.79Å; L10-Y29 HydrophobicContact CD1-CE1 3.97Å; L10-Y29 HydrophobicContact CD1-CG 4.17Å; L10-Y29 HydrophobicContact CD2-CD1 4.34Å; L10-Y29 HydrophobicContact CD2-CD2 4.24Å; L10-Y29 HydrophobicContact CD2-CE1 3.92Å; L10-Y29 HydrophobicContact CD2-CE2 3.85Å; L10-Y29 HydrophobicContact CD2-CG 4.48Å
11S89.2Confident85Confident114 Ų11477 Ų7780%0.79742%0.417SS*.THydrogen-bonded Turntrans-57.2-35.5-173.952.90000114.2
12L87.9Confident87Confident124 Ų12472.5 Ų72.565%0.64941%0.409SS*.THydrogen-bonded Turntrans-92.3-38.2-176.4-175.157.4000113.3L10L10-L12 VanDerWaalsContact C-N 3.26Å; L10-L12 PolarHBondContact O-N 2.91Å
13F86.7Confident88.9Confident61 Ų6175.1 Ų75.127%0.26841%0.414SS..THydrogen-bonded Turntrans-118.23.6-164.1-60-71.8000115.4L10 V15 M32 I35 F36L10-F13 PolarHBondContact O-N 3.35Å; F13-V15 PolarHBondContact O-N 2.9Å; F13-M32 HydrophobicContact CB-CE 4.39Å; F13-M32 HydrophobicContact CB-CG 4.25Å; F13-M32 HydrophobicContact CB-SD 3.17Å; F13-M32 WeakPolarHBondContact CB-SD 3.3Å; F13-M32 HydrophobicContact CD1-SD 3.69Å; F13-M32 HydrophobicContact CD2-CG 3.67Å; F13-M32 HydrophobicContact CD2-SD 3.63Å; F13-M32 HydrophobicContact CE1-SD 4.43Å; F13-M32 HydrophobicContact CE2-CG 4.09Å; F13-M32 HydrophobicContact CE2-SD 4.37Å; F13-M32 HydrophobicContact CG-CG 3.95Å; F13-M32 HydrophobicContact CG-SD 3.23Å; F13-M32 WeakPolarHBondContact CG-SD 3.31Å; F13-I35 HydrophobicContact CD1-CD1 4.44Å; F13-F36 HydrophobicContact CE2-CZ 4.34Å; F13-F36 HydrophobicContact CZ-CZ 4.03Å
14H87.6Confident90.7Very high145 Ų14570.6 Ų70.667%0.67138%0.382SS*.  trans56.519.5175.6-62.576.9000115.3L10L10-H14 PolarHBondContact O-N 3.47Å
15V92.5Very high91.9Very high13 Ų1367.5 Ų67.58%0.07937%0.366CS..  trans-81.2122.2169.7179.10000109P9 L10 F13 A28 M32 L146 Y148P9-V15 CarbonylContact C-O 3.59Å; P9-V15 WeakPolarHBondContact CA-O 3.35Å; L10-V15 HydrophobicContact CD1-CB 4.27Å; L10-V15 PolarHBondContact N-O 3.04Å; F13-V15 PolarHBondContact O-N 2.9Å; V15-A28 HydrophobicContact CB-CB 4.41Å; V15-A28 HydrophobicContact CG1-CB 3.83Å; V15-M32 HydrophobicContact CB-CE 4.43Å; V15-M32 HydrophobicContact CG2-CE 3.25Å; V15-M32 HydrophobicContact CG2-SD 4.21Å; V15-L146 HydrophobicContact CG1-CD1 4.37Å; V15-Y148 HydrophobicContact CG1-CE2 4.02Å
16E94.2Very high92.7Very high52 Ų5265.6 Ų65.624%0.24337%0.366CS..EExtended strand (participates in β ladder)trans-86.5142.9-177-63.9170.2149.600111W7 K8 P9 H84 Y148W7-E16 HydrophobicContact CE3-CB 4.27Å; K8-E16 WeakPolarHBondContact O-CA 3.46Å; P9-E16 HydrophobicContact CB-CG 4.3Å; E16-H84 IonicContact OE2-CE1 3.73Å; E16-H84 IonicContact OE2-CG 3.71Å; E16-H84 IonicContact OE2-ND1 2.76Å; E16-H84 PolarHBondContact OE2-ND1 3.04Å; E16-Y148 PolarHBondContact N-OH 3.39Å
17Y94.9Very high93Very high15 Ų1562.4 Ų62.46%0.05934%0.344CS..EExtended strand (participates in β ladder)trans-143.4158.6173.968.1-81.2000109.8W7 K8 L10 K25 A28W7-Y17 WeakPolarHBondContact CA-O 3.2Å; W7-Y17 VanDerWaalsContact CE3-C 3.41Å; W7-Y17 VanDerWaalsContact CE3-CA 3.5Å; K8-Y17 WeakPolarHBondContact CE-OH 3.39Å; K8-Y17 HydrophobicContact CG-CE1 4.08Å; K8-Y17 PolarHBondContact N-O 3.19Å; K8-Y17 VanDerWaalsContact O-CD1 3.29Å; K8-Y17 WeakPolarHBondContact O-CD1 3.45Å; K8-Y17 PolarHBondContact O-N 2.91Å; L10-Y17 HydrophobicContact CD2-CD1 4.23Å; L10-Y17 HydrophobicContact CD2-CE1 3.86Å; L10-Y17 HydrophobicContact CG-CD1 4.48Å; L10-Y17 HydrophobicContact CG-CE1 4.47Å; Y17-K25 HydrophobicContact CD2-CB 3.76Å; Y17-K25 HydrophobicContact CD2-CG 4.35Å; Y17-K25 HydrophobicContact CE1-CB 4.49Å; Y17-K25 HydrophobicContact CE1-CG 4.06Å; Y17-K25 HydrophobicContact CE2-CB 3.53Å; Y17-K25 HydrophobicContact CE2-CD 4.16Å; Y17-K25 HydrophobicContact CE2-CG 3.81Å; Y17-K25 HydrophobicContact CG-CB 4.33Å; Y17-K25 WeakPolarHBondContact OH-CD 2.96Å; Y17-A28 HydrophobicContact CD1-CB 4.16Å; Y17-A28 HydrophobicContact CG-CB 4.4Å
18P94.2Very high93.1Very high5 Ų560.5 Ų60.53%0.03234%0.336CS..EExtended strand (participates in β ladder)trans-63.4138.7179.2-18.630.7000111.8R5 W7 D21R5-P18 HydrophobicContact CB-CB 4.35Å; W7-P18 HydrophobicContact CD2-CG 4.22Å; W7-P18 HydrophobicContact CE3-CG 4.17Å; W7-P18 HydrophobicContact CH2-CG 3.68Å; W7-P18 HydrophobicContact CZ2-CG 3.71Å; W7-P18 HydrophobicContact CZ3-CG 3.92Å; P18-D21 HydrophobicContact CB-CB 3.92Å; P18-D21 HydrophobicContact CG-CB 4.33Å; P18-D21 WeakPolarHBondContact O-CB 3.4Å; P18-D21 PolarHBondContact O-N 3.25Å
19E90.8Very high93.3Very high92 Ų9261.7 Ų61.743%0.4334%0.339SS..THydrogen-bonded Turntrans-60.3146.9171.9-73.2-174.4-15700111.4S6 K8 D21S6-E19 VanDerWaalsContact CB-CD 3.43Å; S6-E19 WeakPolarHBondContact CB-OE1 3.4Å; S6-E19 WeakPolarHBondContact O-CB 3.42Å; S6-E19 PolarHBondContact O-N 3Å; S6-E19 PolarHBondContact OG-OE1 3.07Å; K8-E19 HydrophobicContact CB-CG 4.28Å; K8-E19 HydrophobicContact CD-CG 3.9Å; K8-E19 HydrophobicContact CG-CG 3.97Å; E19-D21 PolarHBondContact O-N 3.06Å; E19-D21 VanDerWaalsContact O-N 3.08Å
20A90.6Very high93.3Very high111 Ų11159.2 Ų59.292%0.91732%0.324SS*.THydrogen-bonded Turntrans59.66.9-172.900000116.2
21D93.7Very high93.5Very high24 Ų2459 Ų5913%0.12832%0.323CS..  trans-96.794.9174.9-175.63.8000111.7P18 E19 F23 G24 K25 Y145P18-D21 HydrophobicContact CB-CB 3.92Å; P18-D21 HydrophobicContact CG-CB 4.33Å; P18-D21 WeakPolarHBondContact O-CB 3.4Å; P18-D21 PolarHBondContact O-N 3.25Å; E19-D21 PolarHBondContact O-N 3.06Å; E19-D21 VanDerWaalsContact O-N 3.08Å; D21-F23 VanDerWaalsContact C-N 3.29Å; D21-F23 PolarHBondContact O-N 3.5Å; D21-F23 PolarHBondContact OD1-N 3.1Å; D21-F23 VanDerWaalsContact OD1-N 3.11Å; D21-G24 PolarHBondContact O-N 2.89Å; D21-G24 PolarHBondContact OD1-N 2.91Å; D21-G24 WeakPolarHBondContact OD2-CA 3.39Å; D21-G24 PolarHBondContact OD2-N 3.49Å; D21-K25 WeakPolarHBondContact O-CB 3.31Å; D21-K25 PolarHBondContact O-N 2.9Å; D21-Y145 WeakPolarHBondContact OD2-CE1 3.3Å; D21-Y145 PolarHBondContact OD2-OH 2.95Å
22A94.9Very high93.8Very high81 Ų8153.9 Ų53.967%0.66929%0.286SS*.Hα-helixtrans-63.5-34.2177.700000112.9K25 L26A22-K25 WeakPolarHBondContact O-CB 3.41Å; A22-K25 PolarHBondContact O-N 3.49Å; A22-L26 PolarHBondContact O-N 3.1Å; A22-L26 VanDerWaalsContact O-N 3.08Å
23F96.4Very high94.3Very high90 Ų9049.6 Ų49.640%0.39527%0.265SS..Hα-helixtrans-74.8-43.3179-178.4-114.8000110.9D21 K25 L26 L27 Y141 Y145D21-F23 VanDerWaalsContact C-N 3.29Å; D21-F23 PolarHBondContact O-N 3.5Å; D21-F23 PolarHBondContact OD1-N 3.1Å; D21-F23 VanDerWaalsContact OD1-N 3.11Å; F23-K25 VanDerWaalsContact C-N 3.26Å; F23-K25 PolarHBondContact O-N 2.87Å; F23-L26 WeakPolarHBondContact O-CB 3.39Å; F23-L26 PolarHBondContact O-N 2.8Å; F23-L26 VanDerWaalsContact O-N 3.11Å; F23-L27 HydrophobicContact CD1-CD1 3.88Å; F23-L27 HydrophobicContact CD1-CG 4.49Å; F23-L27 HydrophobicContact CE1-CD1 3.49Å; F23-L27 VanDerWaalsContact CE1-CD1 3.49Å; F23-L27 HydrophobicContact CE1-CG 4.23Å; F23-L27 HydrophobicContact CE2-CD1 4.5Å; F23-L27 HydrophobicContact CE2-CG 4.4Å; F23-L27 HydrophobicContact CZ-CD1 3.84Å; F23-L27 HydrophobicContact CZ-CD2 4.27Å; F23-L27 HydrophobicContact CZ-CG 4.17Å; F23-L27 WeakPolarHBondContact O-CG 3.41Å; F23-L27 PolarHBondContact O-N 3.01Å; F23-Y141 AromaticContact CE1-CE1 3.79Å; F23-Y141 HydrophobicContact CE1-CE1 3.79Å; F23-Y141 AromaticContact CZ-CE1 3.81Å; F23-Y141 HydrophobicContact CZ-CE1 3.81Å; F23-Y145 HydrophobicContact CD1-CD2 4.44Å; F23-Y145 AromaticContact CD1-CE1 3.99Å; F23-Y145 HydrophobicContact CD1-CE1 3.99Å; F23-Y145 AromaticContact CD1-CE2 3.84Å; F23-Y145 HydrophobicContact CD1-CE2 3.84Å; F23-Y145 AromaticContact CD1-CZ 3.59Å; F23-Y145 HydrophobicContact CE1-CD2 4.05Å; F23-Y145 HydrophobicContact CE1-CE1 4.46Å; F23-Y145 AromaticContact CE1-CE2 3.79Å; F23-Y145 HydrophobicContact CE1-CE2 3.79Å; F23-Y145 HydrophobicContact CE1-CG 4.48Å
24G96.1Very high94.8Very high0 Ų047.2 Ų47.20%026%0.256CS..Hα-helixtrans-55-41.2169.100000112.3D21 L27 A28D21-G24 PolarHBondContact O-N 2.89Å; D21-G24 PolarHBondContact OD1-N 2.91Å; D21-G24 WeakPolarHBondContact OD2-CA 3.39Å; D21-G24 PolarHBondContact OD2-N 3.49Å; G24-L27 PolarHBondContact O-N 3.38Å; G24-A28 WeakPolarHBondContact O-CB 3.24Å; G24-A28 PolarHBondContact O-N 3.38Å
25K96Very high95.2Very high86 Ų8643.3 Ų43.337%0.37424%0.239SC..Hα-helixtrans-61.4-44.3174-168.1-179.8-173.9-175.20112.7L10 Y17 D21 A22 F23 L27 A28 Y29L10-K25 HydrophobicContact CD2-CG 4.37Å; Y17-K25 HydrophobicContact CD2-CB 3.76Å; Y17-K25 HydrophobicContact CD2-CG 4.35Å; Y17-K25 HydrophobicContact CE1-CB 4.49Å; Y17-K25 HydrophobicContact CE1-CG 4.06Å; Y17-K25 HydrophobicContact CE2-CB 3.53Å; Y17-K25 HydrophobicContact CE2-CD 4.16Å; Y17-K25 HydrophobicContact CE2-CG 3.81Å; Y17-K25 HydrophobicContact CG-CB 4.33Å; Y17-K25 WeakPolarHBondContact OH-CD 2.96Å; D21-K25 WeakPolarHBondContact O-CB 3.31Å; D21-K25 PolarHBondContact O-N 2.9Å; A22-K25 WeakPolarHBondContact O-CB 3.41Å; A22-K25 PolarHBondContact O-N 3.49Å; F23-K25 VanDerWaalsContact C-N 3.26Å; F23-K25 PolarHBondContact O-N 2.87Å; K25-L27 VanDerWaalsContact C-N 3.32Å; K25-L27 PolarHBondContact O-N 2.87Å; K25-A28 WeakPolarHBondContact O-CB 3.36Å; K25-A28 PolarHBondContact O-N 2.86Å; K25-Y29 HydrophobicContact CG-CD2 4.39Å; K25-Y29 HydrophobicContact CG-CE2 4.11Å; K25-Y29 WeakPolarHBondContact O-CD2 3.22Å; K25-Y29 PolarHBondContact O-N 2.53Å; K25-Y29 VanDerWaalsContact O-N 3.15Å
26L96.3Very high95.4Very high101 Ų10148.5 Ų48.553%0.52926%0.261SS..Hα-helixtrans-61-43.1175.817865.9000111.2A22 F23 A28 Y29 S30A22-L26 PolarHBondContact O-N 3.1Å; A22-L26 VanDerWaalsContact O-N 3.08Å; F23-L26 WeakPolarHBondContact O-CB 3.39Å; F23-L26 PolarHBondContact O-N 2.8Å; F23-L26 VanDerWaalsContact O-N 3.11Å; L26-A28 VanDerWaalsContact C-N 3.31Å; L26-A28 PolarHBondContact O-N 2.76Å; L26-Y29 PolarHBondContact O-N 2.93Å; L26-S30 PolarHBondContact O-N 3.09Å
27L97.1Very high95.6Very high0 Ų047 Ų470%025%0.254CS..Hα-helixtrans-68.1-29.5176.7-68.7-179.9000113.2F23 G24 K25 S30 S31 L138 Y141 S142 Y145 L146F23-L27 HydrophobicContact CD1-CD1 3.88Å; F23-L27 HydrophobicContact CD1-CG 4.49Å; F23-L27 HydrophobicContact CE1-CD1 3.49Å; F23-L27 VanDerWaalsContact CE1-CD1 3.49Å; F23-L27 HydrophobicContact CE1-CG 4.23Å; F23-L27 HydrophobicContact CE2-CD1 4.5Å; F23-L27 HydrophobicContact CE2-CG 4.4Å; F23-L27 HydrophobicContact CZ-CD1 3.84Å; F23-L27 HydrophobicContact CZ-CD2 4.27Å; F23-L27 HydrophobicContact CZ-CG 4.17Å; F23-L27 WeakPolarHBondContact O-CG 3.41Å; F23-L27 PolarHBondContact O-N 3.01Å; G24-L27 PolarHBondContact O-N 3.38Å; K25-L27 VanDerWaalsContact C-N 3.32Å; K25-L27 PolarHBondContact O-N 2.87Å; L27-S30 WeakPolarHBondContact CA-OG 3.4Å; L27-S30 PolarHBondContact O-N 2.97Å; L27-S30 PolarHBondContact O-OG 3.42Å; L27-S31 PolarHBondContact O-N 3.4Å; L27-S31 PolarHBondContact O-OG 3.48Å; L27-L138 HydrophobicContact CD2-CD1 3.52Å; L27-L138 HydrophobicContact CD2-CG 4.31Å; L27-Y141 HydrophobicContact CD1-CD1 4.01Å; L27-Y141 HydrophobicContact CD1-CE1 3.88Å; L27-Y141 HydrophobicContact CD2-CD1 4.06Å; L27-S142 VanDerWaalsContact O-CB 3.29Å; L27-S142 WeakPolarHBondContact O-CB 3.22Å; L27-Y145 HydrophobicContact CD1-CD1 3.44Å; L27-Y145 VanDerWaalsContact CD1-CD1 3.44Å; L27-Y145 HydrophobicContact CD1-CD2 4.21Å; L27-Y145 HydrophobicContact CD1-CE1 4.13Å; L27-Y145 HydrophobicContact CD1-CG 3.49Å; L27-Y145 VanDerWaalsContact CD1-CG 3.49Å; L27-L146 HydrophobicContact CB-CD1 4.21Å; L27-L146 HydrophobicContact CB-CG 4.38Å
28A96.6Very high95.8Very high0 Ų049.2 Ų49.20%027%0.266CS..Hα-helixtrans-65.5-42.2172.400000110.4L10 V15 Y17 G24 K25 L26 S31 L146L10-A28 HydrophobicContact CD1-CB 3.71Å; L10-A28 HydrophobicContact CD2-CB 4.25Å; L10-A28 HydrophobicContact CG-CB 3.91Å; V15-A28 HydrophobicContact CB-CB 4.41Å; V15-A28 HydrophobicContact CG1-CB 3.83Å; Y17-A28 HydrophobicContact CD1-CB 4.16Å; Y17-A28 HydrophobicContact CG-CB 4.4Å; G24-A28 WeakPolarHBondContact O-CB 3.24Å; G24-A28 PolarHBondContact O-N 3.38Å; K25-A28 WeakPolarHBondContact O-CB 3.36Å; K25-A28 PolarHBondContact O-N 2.86Å; L26-A28 VanDerWaalsContact C-N 3.31Å; L26-A28 PolarHBondContact O-N 2.76Å; A28-S31 WeakPolarHBondContact O-CB 3.36Å; A28-S31 PolarHBondContact O-N 2.98Å; A28-L146 HydrophobicContact CB-CD1 4.15Å
29Y96.5Very high95.9Very high113 Ų11355 Ų5544%0.44329%0.291SS..Hα-helixtrans-67.7-40.4173.4-76.7-61.8000112.8L10 K25 L26 S31 M32L10-Y29 HydrophobicContact CD1-CD1 3.79Å; L10-Y29 HydrophobicContact CD1-CE1 3.97Å; L10-Y29 HydrophobicContact CD1-CG 4.17Å; L10-Y29 HydrophobicContact CD2-CD1 4.34Å; L10-Y29 HydrophobicContact CD2-CD2 4.24Å; L10-Y29 HydrophobicContact CD2-CE1 3.92Å; L10-Y29 HydrophobicContact CD2-CE2 3.85Å; L10-Y29 HydrophobicContact CD2-CG 4.48Å; K25-Y29 HydrophobicContact CG-CD2 4.39Å; K25-Y29 HydrophobicContact CG-CE2 4.11Å; K25-Y29 WeakPolarHBondContact O-CD2 3.22Å; K25-Y29 PolarHBondContact O-N 2.53Å; K25-Y29 VanDerWaalsContact O-N 3.15Å; L26-Y29 PolarHBondContact O-N 2.93Å; Y29-S31 PolarHBondContact O-N 3.28Å; Y29-M32 VanDerWaalsContact O-CB 3.27Å; Y29-M32 WeakPolarHBondContact O-CB 3.47Å; Y29-M32 PolarHBondContact O-N 3.3Å
30S95.3Very high96.3Very high13 Ų1353.6 Ų53.69%0.09129%0.291CS..Hα-helixtrans-60.8-32.5176.875.10000111.6L26 L27 M32 V33 V139L26-S30 PolarHBondContact O-N 3.09Å; L27-S30 WeakPolarHBondContact CA-OG 3.4Å; L27-S30 PolarHBondContact O-N 2.97Å; L27-S30 PolarHBondContact O-OG 3.42Å; S30-M32 PolarHBondContact O-N 2.89Å; S30-V33 WeakPolarHBondContact O-CB 3.05Å; S30-V33 WeakPolarHBondContact O-CG2 3.48Å; S30-V33 PolarHBondContact O-N 3.45Å; S30-V33 VanDerWaalsContact O-N 3.12Å; S30-V139 WeakPolarHBondContact O-CG2 3.34Å
31S95.6Very high96.6Very high0 Ų048.9 Ų48.90%025%0.251CS..THydrogen-bonded Turntrans-60-14.5174.8-56.90000113.9L27 A28 Y29 P34 H96 S142L27-S31 PolarHBondContact O-N 3.4Å; L27-S31 PolarHBondContact O-OG 3.48Å; A28-S31 WeakPolarHBondContact O-CB 3.36Å; A28-S31 PolarHBondContact O-N 2.98Å; Y29-S31 PolarHBondContact O-N 3.28Å; S31-P34 VanDerWaalsContact O-CD 3.31Å; S31-P34 WeakPolarHBondContact O-CD 3.39Å; S31-H96 PolarHBondContact O-CD2 2.7Å; S31-H96 PolarHBondContact O-NE2 3.33Å; S31-S142 WeakPolarHBondContact OG-CB 3.14Å; S31-S142 PolarHBondContact OG-OG 2.8Å
32M96.2Very high96.8Very high5 Ų550.8 Ų50.83%0.02526%0.26CS..THydrogen-bonded Turntrans-84.4-9.1179.1-58.6-61.689.200114.4F13 V15 Y29 S30 P34 I35 F36F13-M32 HydrophobicContact CB-CE 4.39Å; F13-M32 HydrophobicContact CB-CG 4.25Å; F13-M32 HydrophobicContact CB-SD 3.17Å; F13-M32 WeakPolarHBondContact CB-SD 3.3Å; F13-M32 HydrophobicContact CD1-SD 3.69Å; F13-M32 HydrophobicContact CD2-CG 3.67Å; F13-M32 HydrophobicContact CD2-SD 3.63Å; F13-M32 HydrophobicContact CE1-SD 4.43Å; F13-M32 HydrophobicContact CE2-CG 4.09Å; F13-M32 HydrophobicContact CE2-SD 4.37Å; F13-M32 HydrophobicContact CG-CG 3.95Å; F13-M32 HydrophobicContact CG-SD 3.23Å; F13-M32 WeakPolarHBondContact CG-SD 3.31Å; V15-M32 HydrophobicContact CB-CE 4.43Å; V15-M32 HydrophobicContact CG2-CE 3.25Å; V15-M32 HydrophobicContact CG2-SD 4.21Å; Y29-M32 VanDerWaalsContact O-CB 3.27Å; Y29-M32 WeakPolarHBondContact O-CB 3.47Å; Y29-M32 PolarHBondContact O-N 3.3Å; S30-M32 PolarHBondContact O-N 2.89Å; M32-P34 VanDerWaalsContact C-CD 3.46Å; M32-P34 VanDerWaalsContact C-N 3.34Å; M32-I35 HydrophobicContact CE-CD1 4.42Å; M32-I35 WeakPolarHBondContact O-CB 3.35Å; M32-I35 PolarHBondContact O-N 2.99Å; M32-I35 HydrophobicContact SD-CD1 4.04Å; M32-F36 HydrophobicContact CB-CD2 4.06Å; M32-F36 HydrophobicContact CB-CE2 3.71Å; M32-F36 VanDerWaalsContact O-CD2 3.27Å; M32-F36 WeakPolarHBondContact O-CD2 3.26Å; M32-F36 PolarHBondContact O-N 3.23Å
33V97.8Very high97Very high34 Ų3451.1 Ų51.121%0.20625%0.254CS..Hα-helixtrans-50.4-44.9178.7166.70000113.4S30 I35 F36 I37 M100 I135 V139S30-V33 WeakPolarHBondContact O-CB 3.05Å; S30-V33 WeakPolarHBondContact O-CG2 3.48Å; S30-V33 PolarHBondContact O-N 3.45Å; S30-V33 VanDerWaalsContact O-N 3.12Å; V33-I35 VanDerWaalsContact C-N 3.28Å; V33-I35 PolarHBondContact O-N 2.81Å; V33-F36 PolarHBondContact O-N 3.27Å; V33-F36 VanDerWaalsContact O-N 3.15Å; V33-I37 HydrophobicContact CG1-CD1 3.59Å; V33-I37 HydrophobicContact CG1-CG1 4.11Å; V33-I37 WeakPolarHBondContact O-CG1 3.06Å; V33-I37 PolarHBondContact O-N 3.42Å; V33-M100 HydrophobicContact CG1-CE 3.87Å; V33-M100 HydrophobicContact CG1-SD 4.04Å; V33-I135 HydrophobicContact CB-CG2 4.3Å; V33-I135 HydrophobicContact CG1-CG2 3.61Å; V33-I135 HydrophobicContact CG2-CG2 3.97Å; V33-V139 HydrophobicContact CB-CG2 3.84Å; V33-V139 HydrophobicContact CG1-CG2 4.29Å; V33-V139 HydrophobicContact CG2-CG2 4.22Å
34P98Very high97Very high12 Ų1250.2 Ų50.28%0.07825%0.253CS..Hα-helixtrans-55.6-40.8177.4-27.636.5000113.6S31 M32 I37 I38 F99 M100 V139S31-P34 VanDerWaalsContact O-CD 3.31Å; S31-P34 WeakPolarHBondContact O-CD 3.39Å; M32-P34 VanDerWaalsContact C-CD 3.46Å; M32-P34 VanDerWaalsContact C-N 3.34Å; P34-I37 PolarHBondContact O-N 2.98Å; P34-I38 WeakPolarHBondContact O-CG1 3.32Å; P34-I38 PolarHBondContact O-N 2.94Å; P34-F99 HydrophobicContact CB-CD1 3.69Å; P34-F99 HydrophobicContact CB-CE1 3.89Å; P34-F99 HydrophobicContact CB-CG 4.28Å; P34-F99 HydrophobicContact CG-CD1 4.17Å; P34-M100 HydrophobicContact CG-CG 4.29Å; P34-M100 HydrophobicContact CG-SD 3.99Å; P34-V139 HydrophobicContact CG-CG1 4.38Å
35I96.1Very high97.1Very high62 Ų6252 Ų5232%0.31826%0.262SS..Hα-helixtrans-65.8-45.2178.7-63.7174.4000110.1F13 M32 V33 I37 I38 F39F13-I35 HydrophobicContact CD1-CD1 4.44Å; M32-I35 HydrophobicContact CE-CD1 4.42Å; M32-I35 WeakPolarHBondContact O-CB 3.35Å; M32-I35 PolarHBondContact O-N 2.99Å; M32-I35 HydrophobicContact SD-CD1 4.04Å; V33-I35 VanDerWaalsContact C-N 3.28Å; V33-I35 PolarHBondContact O-N 2.81Å; I35-I37 VanDerWaalsContact C-N 3.33Å; I35-I37 PolarHBondContact O-N 3.47Å; I35-I38 WeakPolarHBondContact O-CB 3.17Å; I35-I38 PolarHBondContact O-N 2.78Å; I35-F39 HydrophobicContact CG2-CD2 3.67Å; I35-F39 HydrophobicContact CG2-CE2 3.51Å; I35-F39 VanDerWaalsContact O-CD2 3.27Å; I35-F39 WeakPolarHBondContact O-CD2 3.25Å; I35-F39 PolarHBondContact O-N 3.38Å
36F96.9Very high97.1Very high122 Ų12254.7 Ų54.754%0.53528%0.278SS..Hα-helixtrans-63.9-37.2176.2-69.8-62.4000112.7F13 M32 V33 F39 S40F13-F36 HydrophobicContact CE2-CZ 4.34Å; F13-F36 HydrophobicContact CZ-CZ 4.03Å; M32-F36 HydrophobicContact CB-CD2 4.06Å; M32-F36 HydrophobicContact CB-CE2 3.71Å; M32-F36 VanDerWaalsContact O-CD2 3.27Å; M32-F36 WeakPolarHBondContact O-CD2 3.26Å; M32-F36 PolarHBondContact O-N 3.23Å; V33-F36 PolarHBondContact O-N 3.27Å; V33-F36 VanDerWaalsContact O-N 3.15Å; F36-F39 PolarHBondContact O-N 2.87Å; F36-S40 VanDerWaalsContact O-CB 3.22Å; F36-S40 WeakPolarHBondContact O-CB 3.36Å; F36-S40 PolarHBondContact O-N 3.35Å
37I98Very high97.2Very high20 Ų2052.9 Ų52.910%0.10327%0.273CS..Hα-helixtrans-60.5-46.9172.5-69.4168.8000109.5V33 P34 I35 F39 S40 N41 F99 M100 F103V33-I37 HydrophobicContact CG1-CD1 3.59Å; V33-I37 HydrophobicContact CG1-CG1 4.11Å; V33-I37 WeakPolarHBondContact O-CG1 3.06Å; V33-I37 PolarHBondContact O-N 3.42Å; P34-I37 PolarHBondContact O-N 2.98Å; I35-I37 VanDerWaalsContact C-N 3.33Å; I35-I37 PolarHBondContact O-N 3.47Å; I37-F39 PolarHBondContact O-N 3.16Å; I37-S40 PolarHBondContact O-N 2.94Å; I37-N41 VanDerWaalsContact CG2-ND2 3.35Å; I37-N41 WeakPolarHBondContact CG2-ND2 3.48Å; I37-N41 PolarHBondContact O-N 2.9Å; I37-N41 PolarHBondContact O-ND2 2.92Å; I37-F99 HydrophobicContact CB-CE1 4.06Å; I37-F99 HydrophobicContact CB-CZ 4.18Å; I37-F99 HydrophobicContact CD1-CE1 4.04Å; I37-F99 HydrophobicContact CG2-CE1 3.91Å; I37-F99 HydrophobicContact CG2-CZ 3.76Å; I37-M100 HydrophobicContact CD1-CE 4.15Å; I37-M100 HydrophobicContact CD1-SD 3.9Å; I37-F103 HydrophobicContact CD1-CD1 4.18Å; I37-F103 HydrophobicContact CD1-CD2 3.91Å; I37-F103 HydrophobicContact CD1-CE1 4.22Å; I37-F103 HydrophobicContact CD1-CE2 3.94Å; I37-F103 HydrophobicContact CD1-CG 4.02Å; I37-F103 HydrophobicContact CD1-CZ 4.1Å; I37-F103 HydrophobicContact CG1-CE2 4.43Å; I37-F103 HydrophobicContact CG2-CD2 4.23Å; I37-F103 HydrophobicContact CG2-CE2 4.48Å
38I97.9Very high97.1Very high63 Ų6356.7 Ų56.732%0.32329%0.288SS..Hα-helixtrans-58.4-50.4178.4-70.6165.7000111.3P34 I35 S40 N41 I42 F57 F99P34-I38 WeakPolarHBondContact O-CG1 3.32Å; P34-I38 PolarHBondContact O-N 2.94Å; I35-I38 WeakPolarHBondContact O-CB 3.17Å; I35-I38 PolarHBondContact O-N 2.78Å; I38-S40 VanDerWaalsContact C-N 3.33Å; I38-S40 PolarHBondContact O-N 2.82Å; I38-N41 PolarHBondContact O-N 2.98Å; I38-I42 HydrophobicContact CG2-CD1 4Å; I38-I42 WeakPolarHBondContact O-CG1 3.17Å; I38-I42 PolarHBondContact O-N 3.14Å; I38-F57 HydrophobicContact CG2-CE2 4.19Å; I38-F99 HydrophobicContact CD1-CE2 4.27Å; I38-F99 HydrophobicContact CG1-CE2 4.08Å; I38-F99 HydrophobicContact CG1-CZ 4.04Å
39F97.9Very high97.1Very high127 Ų12760.2 Ų60.256%0.55730%0.301SS*.Hα-helixtrans-64.3-37.1178.5-78.3-67.4000113I35 F36 I37 N41 I42 T43I35-F39 HydrophobicContact CG2-CD2 3.67Å; I35-F39 HydrophobicContact CG2-CE2 3.51Å; I35-F39 VanDerWaalsContact O-CD2 3.27Å; I35-F39 WeakPolarHBondContact O-CD2 3.25Å; I35-F39 PolarHBondContact O-N 3.38Å; F36-F39 PolarHBondContact O-N 2.87Å; I37-F39 PolarHBondContact O-N 3.16Å; F39-N41 VanDerWaalsContact C-N 3.34Å; F39-I42 PolarHBondContact O-N 3.44Å; F39-T43 WeakPolarHBondContact O-CB 3.31Å; F39-T43 PolarHBondContact O-N 2.99Å; F39-T43 PolarHBondContact O-OG1 3.3Å
40S97.8Very high97.1Very high61 Ų6155.6 Ų55.643%0.42728%0.284SS..Hα-helixtrans-61.4-43.3174178.10000111.1F36 I37 I38 T43 L44F36-S40 VanDerWaalsContact O-CB 3.22Å; F36-S40 WeakPolarHBondContact O-CB 3.36Å; F36-S40 PolarHBondContact O-N 3.35Å; I37-S40 PolarHBondContact O-N 2.94Å; I38-S40 VanDerWaalsContact C-N 3.33Å; I38-S40 PolarHBondContact O-N 2.82Å; S40-T43 PolarHBondContact O-N 3.45Å; S40-L44 WeakPolarHBondContact O-CB 3.39Å; S40-L44 VanDerWaalsContact O-CG 3.28Å; S40-L44 WeakPolarHBondContact O-CG 3.27Å; S40-L44 PolarHBondContact O-N 3.24Å
41N97.8Very high97.2Very high13 Ų1355.1 Ų55.17%0.0728%0.28CS..Hα-helixtrans-64.5-45.1176.7-77.9-72000112.4I37 I38 F39 T43 L44 I45 Y56 F57I37-N41 VanDerWaalsContact CG2-ND2 3.35Å; I37-N41 WeakPolarHBondContact CG2-ND2 3.48Å; I37-N41 PolarHBondContact O-N 2.9Å; I37-N41 PolarHBondContact O-ND2 2.92Å; I38-N41 PolarHBondContact O-N 2.98Å; F39-N41 VanDerWaalsContact C-N 3.34Å; N41-T43 VanDerWaalsContact C-N 3.29Å; N41-T43 PolarHBondContact O-N 2.96Å; N41-L44 PolarHBondContact O-N 3.38Å; N41-I45 WeakPolarHBondContact O-CB 3.49Å; N41-I45 VanDerWaalsContact O-CG1 3.23Å; N41-I45 WeakPolarHBondContact O-CG1 3.35Å; N41-I45 PolarHBondContact O-N 2.95Å; N41-Y56 VanDerWaalsContact OD1-CD1 3.22Å; N41-Y56 WeakPolarHBondContact OD1-CD1 3.36Å; N41-Y56 WeakPolarHBondContact OD1-CE1 3.42Å; N41-F57 HydrophobicContact CB-CD2 3.76Å; N41-F57 HydrophobicContact CB-CE2 4.33Å; N41-F57 HydrophobicContact CB-CG 4.49Å
42I98.3Very high97.2Very high63 Ų6355.6 Ų55.632%0.32328%0.283SS..Hα-helixtrans-58.2-46176-66.9167000110.1I38 F39 L44 I45 M46 F57I38-I42 HydrophobicContact CG2-CD1 4Å; I38-I42 WeakPolarHBondContact O-CG1 3.17Å; I38-I42 PolarHBondContact O-N 3.14Å; F39-I42 PolarHBondContact O-N 3.44Å; I42-L44 PolarHBondContact O-N 2.9Å; I42-I45 PolarHBondContact O-N 3.24Å; I42-M46 HydrophobicContact CG2-CG 4.42Å; I42-M46 HydrophobicContact CG2-SD 3.93Å; I42-M46 WeakPolarHBondContact O-CB 3.45Å; I42-M46 VanDerWaalsContact O-CG 3.31Å; I42-M46 WeakPolarHBondContact O-CG 3.04Å; I42-M46 PolarHBondContact O-N 3.41Å; I42-F57 HydrophobicContact CD1-CZ 4.37Å; I42-F57 HydrophobicContact CG1-CE2 4.29Å; I42-F57 HydrophobicContact CG1-CZ 3.98Å
43T98.3Very high97.2Very high88 Ų8856.6 Ų56.654%0.5429%0.289SS..Hα-helixtrans-61.5-43.2178.2-550000111.7F39 S40 N41 M46 S47F39-T43 WeakPolarHBondContact O-CB 3.31Å; F39-T43 PolarHBondContact O-N 2.99Å; F39-T43 PolarHBondContact O-OG1 3.3Å; S40-T43 PolarHBondContact O-N 3.45Å; N41-T43 VanDerWaalsContact C-N 3.29Å; N41-T43 PolarHBondContact O-N 2.96Å; T43-M46 PolarHBondContact O-N 3.45Å; T43-S47 VanDerWaalsContact O-CB 3.27Å; T43-S47 WeakPolarHBondContact O-CB 3.34Å; T43-S47 PolarHBondContact O-N 2.95Å; T43-S47 PolarHBondContact O-OG 3.5Å
44L96.8Very high97.3Very high72 Ų7256.9 Ų56.938%0.37729%0.289SS..Hα-helixtrans-66.5-41.2177.4-73.1170.4000112S40 N41 I42 S47 R48 T53S40-L44 WeakPolarHBondContact O-CB 3.39Å; S40-L44 VanDerWaalsContact O-CG 3.28Å; S40-L44 WeakPolarHBondContact O-CG 3.27Å; S40-L44 PolarHBondContact O-N 3.24Å; N41-L44 PolarHBondContact O-N 3.38Å; I42-L44 PolarHBondContact O-N 2.9Å; L44-S47 WeakPolarHBondContact CA-OG 3.4Å; L44-S47 PolarHBondContact O-N 3.26Å; L44-S47 PolarHBondContact O-OG 3.32Å; L44-R48 WeakPolarHBondContact O-CA 3.37Å; L44-R48 VanDerWaalsContact O-CB 3.27Å; L44-R48 WeakPolarHBondContact O-CB 3.45Å; L44-R48 PolarHBondContact O-N 3.12Å; L44-T53 HydrophobicContact CB-CG2 3.98Å
45I98Very high97.3Very high37 Ų3757.8 Ų57.819%0.1929%0.292CS..Hα-helixtrans-61.4-47.7175.6-70.9166.1000110.3N41 I42 R49 T53 I54 F57N41-I45 WeakPolarHBondContact O-CB 3.49Å; N41-I45 VanDerWaalsContact O-CG1 3.23Å; N41-I45 WeakPolarHBondContact O-CG1 3.35Å; N41-I45 PolarHBondContact O-N 2.95Å; I42-I45 PolarHBondContact O-N 3.24Å; I45-R49 WeakPolarHBondContact O-CA 3.49Å; I45-R49 PolarHBondContact O-N 3.37Å; I45-T53 HydrophobicContact CG1-CG2 3.83Å; I45-I54 HydrophobicContact CB-CG1 4.41Å; I45-I54 HydrophobicContact CD1-CG1 4.42Å; I45-I54 HydrophobicContact CG1-CG1 3.94Å; I45-I54 HydrophobicContact CG2-CD1 4.39Å; I45-I54 HydrophobicContact CG2-CG1 3.8Å; I45-F57 HydrophobicContact CD1-CB 3.56Å; I45-F57 HydrophobicContact CD1-CD1 3.82Å; I45-F57 HydrophobicContact CD1-CG 3.74Å
46M97.1Very high97.4Very high143 Ų14355.3 Ų55.370%0.70428%0.279SS*.Hα-helixtrans-67-39.4-179.3-69.8-179.976.900112.6I42 T43I42-M46 HydrophobicContact CG2-CG 4.42Å; I42-M46 HydrophobicContact CG2-SD 3.93Å; I42-M46 WeakPolarHBondContact O-CB 3.45Å; I42-M46 VanDerWaalsContact O-CG 3.31Å; I42-M46 WeakPolarHBondContact O-CG 3.04Å; I42-M46 PolarHBondContact O-N 3.41Å; T43-M46 PolarHBondContact O-N 3.45Å
47S96.4Very high97.4Very high62 Ų6251.3 Ų51.343%0.43426%0.261SS..Hα-helixtrans-81.8-39.6-176.157.40000113.4T43 L44T43-S47 VanDerWaalsContact O-CB 3.27Å; T43-S47 WeakPolarHBondContact O-CB 3.34Å; T43-S47 PolarHBondContact O-N 2.95Å; T43-S47 PolarHBondContact O-OG 3.5Å; L44-S47 WeakPolarHBondContact CA-OG 3.4Å; L44-S47 PolarHBondContact O-N 3.26Å; L44-S47 PolarHBondContact O-OG 3.32Å
48R95.2Very high97.5Very high80 Ų8052.6 Ų52.630%0.30227%0.271SS..Hα-helixtrans-104.2-26.2-173.6-59.5-55.5-167.5167.16.6113.7L44 D50 F197 E207L44-R48 WeakPolarHBondContact O-CA 3.37Å; L44-R48 VanDerWaalsContact O-CB 3.27Å; L44-R48 WeakPolarHBondContact O-CB 3.45Å; L44-R48 PolarHBondContact O-N 3.12Å; R48-D50 HydrophobicContact CB-CB 4.39Å; R48-D50 PolarHBondContact O-N 3.1Å; R48-D50 VanDerWaalsContact O-N 3.12Å; R48-F197 HydrophobicContact CB-CE2 4.32Å; R48-E207 IonicContact CZ-OE1 3.69Å; R48-E207 IonicContact CZ-OE2 3.63Å; R48-E207 IonicContact NH1-OE1 3.74Å; R48-E207 PolarHBondContact NH1-OE1 2.76Å; R48-E207 IonicContact NH1-OE2 2.7Å; R48-E207 PolarHBondContact NH1-OE2 3.49Å; R48-E207 IonicContact NH2-OE1 3.33Å; R48-E207 IonicContact NH2-OE2 3.03Å; R48-E207 PolarHBondContact NH2-OE2 2.87Å
49R96.9Very high97.5Very high75 Ų7549.7 Ų49.728%0.28326%0.257SS..  trans52.729.3-177-59.2157.5-75.3-123.4-0.4112.9I45 L51 L192 M193 L194 Q195I45-R49 WeakPolarHBondContact O-CA 3.49Å; I45-R49 PolarHBondContact O-N 3.37Å; R49-L51 PolarHBondContact O-N 3.18Å; R49-L192 WeakPolarHBondContact CD-O 3.32Å; R49-M193 WeakPolarHBondContact CD-O 3.19Å; R49-L194 HydrophobicContact CB-CD2 4.37Å; R49-Q195 PolarHBondContact O-N 3.43Å
50D96.2Very high97.5Very high16 Ų1643.9 Ų43.99%0.08623%0.232CC..BIsolated β-bridgetrans-73.5124.7-178.7167.850.8000110.6R48 H52 T53 I54 Q195 F197R48-D50 HydrophobicContact CB-CB 4.39Å; R48-D50 PolarHBondContact O-N 3.1Å; R48-D50 VanDerWaalsContact O-N 3.12Å; D50-H52 VanDerWaalsContact C-N 3.27Å; D50-H52 PolarHBondContact O-N 3Å; D50-H52 PolarHBondContact OD1-N 3.04Å; D50-H52 PolarHBondContact OD2-N 2.8Å; D50-T53 PolarHBondContact O-N 3.46Å; D50-T53 WeakPolarHBondContact OD2-CB 3.33Å; D50-T53 PolarHBondContact OD2-N 3.42Å; D50-T53 PolarHBondContact OD2-OG1 2.85Å; D50-I54 WeakPolarHBondContact O-CG1 3.48Å; D50-I54 PolarHBondContact O-N 2.9Å; D50-Q195 WeakPolarHBondContact CA-O 3.29Å; D50-F197 HydrophobicContact CB-CD2 3.8Å; D50-F197 HydrophobicContact CB-CE2 3.81Å
51L97.6Very high97.6Very high2 Ų245.6 Ų45.61%0.0124%0.236CC..Hα-helixtrans-58.2-39.7179.9-73.5176.7000112.2R49 T53 I54 F55 F180 F183 T184 L194 Q195 D196R49-L51 PolarHBondContact O-N 3.18Å; L51-T53 VanDerWaalsContact C-N 3.35Å; L51-T53 PolarHBondContact O-N 3.04Å; L51-I54 PolarHBondContact O-N 2.86Å; L51-F55 VanDerWaalsContact O-CD2 3.26Å; L51-F55 WeakPolarHBondContact O-CD2 3.49Å; L51-F55 PolarHBondContact O-N 3.44Å; L51-F180 HydrophobicContact CB-CD1 4.28Å; L51-F180 HydrophobicContact CB-CD2 3.94Å; L51-F180 HydrophobicContact CB-CE1 4.19Å; L51-F180 HydrophobicContact CB-CE2 3.85Å; L51-F180 HydrophobicContact CB-CG 4.16Å; L51-F180 HydrophobicContact CB-CZ 3.99Å; L51-F180 HydrophobicContact CD1-CB 3.67Å; L51-F180 HydrophobicContact CD1-CD1 4.09Å; L51-F180 HydrophobicContact CD1-CD2 4.1Å; L51-F180 HydrophobicContact CD1-CG 3.71Å; L51-F183 HydrophobicContact CD1-CB 3.91Å; L51-F183 HydrophobicContact CD2-CB 3.98Å; L51-T184 HydrophobicContact CD1-CG2 3.71Å; L51-L194 HydrophobicContact CD2-CB 4.22Å; L51-L194 HydrophobicContact CD2-CD1 3.86Å; L51-L194 HydrophobicContact CD2-CG 4.48Å; L51-Q195 PolarHBondContact N-O 2.82Å; L51-D196 HydrophobicContact CD1-CB 4.36Å
52H96.1Very high97.6Very high10 Ų1049.1 Ų49.15%0.04625%0.254CS..Hα-helixtrans-65.9-40.6-178.5-163.9-75.5000111.7D50 Y56 Y106 F110 F180D50-H52 VanDerWaalsContact C-N 3.27Å; D50-H52 PolarHBondContact O-N 3Å; D50-H52 PolarHBondContact OD1-N 3.04Å; D50-H52 PolarHBondContact OD2-N 2.8Å; H52-Y56 WeakPolarHBondContact O-CB 3.41Å; H52-Y56 PolarHBondContact O-N 3.25Å; H52-Y106 AromaticContact CE1-CE1 3.76Å; H52-Y106 AromaticContact CE1-CZ 3.75Å; H52-Y106 PolarHBondContact CE1-OH 3.27Å; H52-F110 AromaticContact CE1-CD2 3.17Å; H52-F110 WeakPolarHBondContact CE1-CD2 3.27Å; H52-F110 AromaticContact CE1-CE2 3.39Å; H52-F110 WeakPolarHBondContact CE1-CE2 3.37Å; H52-F110 AromaticContact ND1-CD2 3.74Å; H52-F110 AromaticContact ND1-CE2 3.49Å; H52-F110 WeakPolarHBondContact ND1-CE2 3.48Å; H52-F110 AromaticContact NE2-CD2 3.74Å; H52-F110 AromaticContact NE2-CE2 3.88Å; H52-F180 HydrophobicContact CB-CE2 4.27Å
53T97Very high97.6Very high27 Ų2746.3 Ų46.317%0.16624%0.239CC..Hα-helixtrans-64.4-40.8173.8-55.20000111.6L44 I45 D50 L51 Y56 F57L44-T53 HydrophobicContact CB-CG2 3.98Å; I45-T53 HydrophobicContact CG1-CG2 3.83Å; D50-T53 PolarHBondContact O-N 3.46Å; D50-T53 WeakPolarHBondContact OD2-CB 3.33Å; D50-T53 PolarHBondContact OD2-N 3.42Å; D50-T53 PolarHBondContact OD2-OG1 2.85Å; L51-T53 VanDerWaalsContact C-N 3.35Å; L51-T53 PolarHBondContact O-N 3.04Å; T53-Y56 PolarHBondContact O-N 2.84Å; T53-F57 PolarHBondContact O-N 3.48Å
54I98.2Very high97.6Very high40 Ų4045.9 Ų45.921%0.20523%0.231CC..Hα-helixtrans-61.2-50.7175.7-68.2165.6000110.6I45 D50 L51 Y56 F57 C58 L194I45-I54 HydrophobicContact CB-CG1 4.41Å; I45-I54 HydrophobicContact CD1-CG1 4.42Å; I45-I54 HydrophobicContact CG1-CG1 3.94Å; I45-I54 HydrophobicContact CG2-CD1 4.39Å; I45-I54 HydrophobicContact CG2-CG1 3.8Å; D50-I54 WeakPolarHBondContact O-CG1 3.48Å; D50-I54 PolarHBondContact O-N 2.9Å; L51-I54 PolarHBondContact O-N 2.86Å; I54-Y56 VanDerWaalsContact C-N 3.33Å; I54-Y56 PolarHBondContact O-N 3.48Å; I54-F57 WeakPolarHBondContact O-CB 3.38Å; I54-F57 PolarHBondContact O-N 3.37Å; I54-F57 VanDerWaalsContact O-N 3.14Å; I54-C58 PolarHBondContact O-N 2.68Å; I54-C58 PolarHBondContact O-SG 2.94Å; I54-C58 VanDerWaalsContact O-SG 3.38Å; I54-L194 HydrophobicContact CD1-CD2 3.81Å
55F98.2Very high97.7Very high30 Ų3047.3 Ų47.313%0.13224%0.239CC..Hα-helixtrans-66.9-33.5179.7-83.3-73.9000112.7L51 C58 G59 W168 V172 I176 F180 F183L51-F55 VanDerWaalsContact O-CD2 3.26Å; L51-F55 WeakPolarHBondContact O-CD2 3.49Å; L51-F55 PolarHBondContact O-N 3.44Å; F55-C58 PolarHBondContact O-N 3.39Å; F55-G59 PolarHBondContact O-N 3.42Å; F55-W168 PolarHBondContact O-NE1 3.16Å; F55-V172 HydrophobicContact CB-CG1 4.19Å; F55-V172 HydrophobicContact CB-CG2 3.98Å; F55-I176 HydrophobicContact CD1-CD1 3.62Å; F55-I176 HydrophobicContact CD1-CG2 4.04Å; F55-I176 HydrophobicContact CD2-CG2 3.97Å; F55-I176 HydrophobicContact CE1-CD1 3.73Å; F55-I176 HydrophobicContact CE1-CG2 3.66Å; F55-I176 HydrophobicContact CE2-CG2 3.59Å; F55-I176 HydrophobicContact CG-CD1 4.36Å; F55-I176 HydrophobicContact CG-CG2 4.19Å; F55-I176 HydrophobicContact CZ-CG2 3.44Å; F55-I176 VanDerWaalsContact CZ-CG2 3.44Å; F55-F180 AromaticContact CD2-CE1 3.57Å; F55-F180 HydrophobicContact CD2-CE1 3.57Å; F55-F180 HydrophobicContact CD2-CZ 4.01Å; F55-F180 HydrophobicContact CE2-CD1 4.31Å; F55-F180 AromaticContact CE2-CE1 3.73Å; F55-F180 HydrophobicContact CE2-CE1 3.73Å; F55-F183 HydrophobicContact CE2-CD2 4.45Å; F55-F183 HydrophobicContact CE2-CE2 4.21Å; F55-F183 HydrophobicContact CE2-CZ 4.4Å; F55-F183 HydrophobicContact CZ-CE1 4.24Å; F55-F183 AromaticContact CZ-CE2 3.9Å; F55-F183 HydrophobicContact CZ-CE2 3.9Å; F55-F183 AromaticContact CZ-CZ 3.73Å; F55-F183 HydrophobicContact CZ-CZ 3.73Å
56Y98.3Very high97.7Very high11 Ų1147.3 Ų47.34%0.04324%0.242CC..Hα-helixtrans-57.9-48.4169.1167.8-108.4000111.3N41 H52 T53 I54 C58 G59 C60 F102 F103 Y106N41-Y56 VanDerWaalsContact OD1-CD1 3.22Å; N41-Y56 WeakPolarHBondContact OD1-CD1 3.36Å; N41-Y56 WeakPolarHBondContact OD1-CE1 3.42Å; H52-Y56 WeakPolarHBondContact O-CB 3.41Å; H52-Y56 PolarHBondContact O-N 3.25Å; T53-Y56 PolarHBondContact O-N 2.84Å; I54-Y56 VanDerWaalsContact C-N 3.33Å; I54-Y56 PolarHBondContact O-N 3.48Å; Y56-C58 PolarHBondContact O-N 3.03Å; Y56-G59 WeakPolarHBondContact O-CA 3.37Å; Y56-G59 PolarHBondContact O-N 3.41Å; Y56-C60 PolarHBondContact O-N 3.48Å; Y56-C60 PolarHBondContact OH-SG 2.88Å; Y56-F102 HydrophobicContact CD2-CE1 4.07Å; Y56-F102 HydrophobicContact CE2-CD1 4.24Å; Y56-F102 AromaticContact CE2-CE1 3.69Å; Y56-F102 HydrophobicContact CE2-CE1 3.69Å; Y56-F103 WeakPolarHBondContact OH-CD2 3.48Å; Y56-Y106 AromaticContact CD2-CD1 3.18Å; Y56-Y106 HydrophobicContact CD2-CD1 3.18Å; Y56-Y106 HydrophobicContact CD2-CD2 4.02Å; Y56-Y106 AromaticContact CD2-CE1 3.27Å; Y56-Y106 HydrophobicContact CD2-CE1 3.27Å; Y56-Y106 HydrophobicContact CD2-CE2 4.09Å; Y56-Y106 AromaticContact CD2-CG 3.57Å; Y56-Y106 HydrophobicContact CD2-CG 3.57Å; Y56-Y106 AromaticContact CD2-CZ 3.72Å; Y56-Y106 AromaticContact CE2-CD1 3.61Å; Y56-Y106 HydrophobicContact CE2-CD1 3.61Å; Y56-Y106 HydrophobicContact CE2-CE1 4.16Å; Y56-Y106 AromaticContact CE2-CG 3.81Å; Y56-Y106 HydrophobicContact CE2-CG 3.81Å; Y56-Y106 HydrophobicContact CG-CD1 4.14Å; Y56-Y106 AromaticContact CG-CE1 3.82Å; Y56-Y106 HydrophobicContact CG-CE1 3.82Å
57F98.5Very high97.8Very high38 Ų3840.7 Ų40.717%0.16721%0.209CC..Hα-helixtrans-64.4-39.2178.9-173.2-111.3000112.6I38 N41 I42 I45 T53 I54 G59 C60 L61I38-F57 HydrophobicContact CG2-CE2 4.19Å; N41-F57 HydrophobicContact CB-CD2 3.76Å; N41-F57 HydrophobicContact CB-CE2 4.33Å; N41-F57 HydrophobicContact CB-CG 4.49Å; I42-F57 HydrophobicContact CD1-CZ 4.37Å; I42-F57 HydrophobicContact CG1-CE2 4.29Å; I42-F57 HydrophobicContact CG1-CZ 3.98Å; I45-F57 HydrophobicContact CD1-CB 3.56Å; I45-F57 HydrophobicContact CD1-CD1 3.82Å; I45-F57 HydrophobicContact CD1-CG 3.74Å; T53-F57 PolarHBondContact O-N 3.48Å; I54-F57 WeakPolarHBondContact O-CB 3.38Å; I54-F57 PolarHBondContact O-N 3.37Å; I54-F57 VanDerWaalsContact O-N 3.14Å; F57-G59 PolarHBondContact O-N 3.05Å; F57-C60 WeakPolarHBondContact O-CB 3.37Å; F57-C60 PolarHBondContact O-N 3.35Å; F57-C60 VanDerWaalsContact O-N 3.09Å; F57-L61 HydrophobicContact CD1-CD1 4.16Å; F57-L61 HydrophobicContact CD1-CG 4.47Å; F57-L61 HydrophobicContact CE1-CD1 3.91Å; F57-L61 HydrophobicContact CE1-CD2 4.37Å; F57-L61 HydrophobicContact CE1-CG 4.23Å; F57-L61 HydrophobicContact CZ-CD2 4.23Å; F57-L61 HydrophobicContact CZ-CG 4.48Å; F57-L61 WeakPolarHBondContact O-CG 3.21Å; F57-L61 PolarHBondContact O-N 3.38Å
58C98.5Very high97.9Very high47 Ų4744.8 Ų44.832%0.31822%0.216SC..Hα-helixtrans-56.2-40.8169.9-67.50000111.8I54 F55 Y56 L61 I62 W168I54-C58 PolarHBondContact O-N 2.68Å; I54-C58 PolarHBondContact O-SG 2.94Å; I54-C58 VanDerWaalsContact O-SG 3.38Å; F55-C58 PolarHBondContact O-N 3.39Å; Y56-C58 PolarHBondContact O-N 3.03Å; C58-L61 PolarHBondContact O-N 2.91Å; C58-I62 WeakPolarHBondContact O-CG1 3.33Å; C58-I62 PolarHBondContact O-N 2.95Å; C58-W168 HydrophobicContact CB-CZ2 4.16Å
59G98.7Very high98Very high1 Ų145.2 Ų45.21%0.0122%0.224CC..Hα-helixtrans-61.5-42.1173.700000113.2F55 Y56 F57 L61 I62 N63 F102 W168F55-G59 PolarHBondContact O-N 3.42Å; Y56-G59 WeakPolarHBondContact O-CA 3.37Å; Y56-G59 PolarHBondContact O-N 3.41Å; F57-G59 PolarHBondContact O-N 3.05Å; G59-L61 VanDerWaalsContact C-N 3.32Å; G59-L61 PolarHBondContact O-N 3.27Å; G59-I62 PolarHBondContact O-N 3.4Å; G59-N63 WeakPolarHBondContact O-CB 3.17Å; G59-N63 PolarHBondContact O-N 3.36Å; G59-F102 VanDerWaalsContact C-CZ 3.41Å; G59-W168 VanDerWaalsContact CA-CE2 3.45Å
60C98.5Very high98.1Very high5 Ų543.8 Ų43.83%0.03422%0.222CC..Hα-helixtrans-59.1-42.5173.2-65.20000112Y56 F57 N63 E64 F99Y56-C60 PolarHBondContact O-N 3.48Å; Y56-C60 PolarHBondContact OH-SG 2.88Å; F57-C60 WeakPolarHBondContact O-CB 3.37Å; F57-C60 PolarHBondContact O-N 3.35Å; F57-C60 VanDerWaalsContact O-N 3.09Å; C60-N63 PolarHBondContact O-N 2.94Å; C60-E64 PolarHBondContact O-N 3.48Å; C60-F99 HydrophobicContact CB-CE2 4.16Å
61L98.5Very high98.2Very high97 Ų9744.1 Ų44.151%0.50822%0.222SC..Hα-helixtrans-66.5-41.5177.9-63.5176.9000112.2F57 C58 G59 N63 E64 L65F57-L61 HydrophobicContact CD1-CD1 4.16Å; F57-L61 HydrophobicContact CD1-CG 4.47Å; F57-L61 HydrophobicContact CE1-CD1 3.91Å; F57-L61 HydrophobicContact CE1-CD2 4.37Å; F57-L61 HydrophobicContact CE1-CG 4.23Å; F57-L61 HydrophobicContact CZ-CD2 4.23Å; F57-L61 HydrophobicContact CZ-CG 4.48Å; F57-L61 WeakPolarHBondContact O-CG 3.21Å; F57-L61 PolarHBondContact O-N 3.38Å; C58-L61 PolarHBondContact O-N 2.91Å; G59-L61 VanDerWaalsContact C-N 3.32Å; G59-L61 PolarHBondContact O-N 3.27Å; L61-N63 VanDerWaalsContact C-N 3.31Å; L61-N63 PolarHBondContact O-N 3.08Å; L61-E64 PolarHBondContact O-N 3.22Å; L61-L65 WeakPolarHBondContact O-CB 3.11Å; L61-L65 PolarHBondContact O-N 3.48Å
62I98.6Very high98.2Very high88 Ų8851.3 Ų51.345%0.45125%0.25SS..Hα-helixtrans-63.8-39.9175-69.5164.7000110.6C58 G59 L65 S66 W168C58-I62 WeakPolarHBondContact O-CG1 3.33Å; C58-I62 PolarHBondContact O-N 2.95Å; G59-I62 PolarHBondContact O-N 3.4Å; I62-L65 PolarHBondContact O-N 2.83Å; I62-S66 WeakPolarHBondContact O-CB 3.24Å; I62-S66 PolarHBondContact O-N 2.87Å; I62-W168 HydrophobicContact CD1-CE3 4.27Å; I62-W168 HydrophobicContact CD1-CH2 3.34Å; I62-W168 HydrophobicContact CD1-CZ2 3.97Å; I62-W168 HydrophobicContact CD1-CZ3 3.51Å
63N98.7Very high98.2Very high4 Ų457 Ų572%0.02128%0.28CS..Hα-helixtrans-64.9-40.4175.9-174.753.5000112.1G59 C60 L61 S66 N67 Q98 F102G59-N63 WeakPolarHBondContact O-CB 3.17Å; G59-N63 PolarHBondContact O-N 3.36Å; C60-N63 PolarHBondContact O-N 2.94Å; L61-N63 VanDerWaalsContact C-N 3.31Å; L61-N63 PolarHBondContact O-N 3.08Å; N63-S66 WeakPolarHBondContact O-CB 3.41Å; N63-S66 PolarHBondContact O-N 3.39Å; N63-N67 PolarHBondContact O-N 2.96Å; N63-Q98 PolarHBondContact ND2-O 3.41Å; N63-Q98 PolarHBondContact O-NE2 3.47Å; N63-Q98 WeakPolarHBondContact OD1-CG 3.39Å; N63-Q98 PolarHBondContact OD1-NE2 3.3Å; N63-F102 HydrophobicContact CB-CD2 3.8Å; N63-F102 HydrophobicContact CB-CE2 4.24Å; N63-F102 HydrophobicContact CB-CG 4.19Å; N63-F102 WeakPolarHBondContact ND2-CB 3.27Å
64E98.2Very high98.3Very high79 Ų7959 Ų5937%0.36929%0.289SS..Hα-helixtrans-63-46.8173.6-178.763.9-160.700111.4C60 L61 S66 N67 Y68 N95C60-E64 PolarHBondContact O-N 3.48Å; L61-E64 PolarHBondContact O-N 3.22Å; E64-S66 VanDerWaalsContact C-N 3.31Å; E64-S66 PolarHBondContact O-N 3.48Å; E64-N67 WeakPolarHBondContact O-CB 3.23Å; E64-N67 PolarHBondContact O-N 3.13Å; E64-N67 VanDerWaalsContact O-N 3.14Å; E64-Y68 PolarHBondContact O-N 3.46Å; E64-N95 PolarHBondContact OE1-ND2 2.96Å; E64-N95 PolarHBondContact OE2-ND2 3.33Å; E64-N95 PolarHBondContact OE2-OD1 2.95Å
65L98.4Very high98.2Very high102 Ų10263.3 Ų63.353%0.53431%0.306SS..Hα-helixtrans-59.7-43.2175.917961.2000111.3L61 I62 N67 Y68 L69L61-L65 WeakPolarHBondContact O-CB 3.11Å; L61-L65 PolarHBondContact O-N 3.48Å; I62-L65 PolarHBondContact O-N 2.83Å; L65-N67 PolarHBondContact O-N 3.41Å; L65-Y68 WeakPolarHBondContact O-CB 3.5Å; L65-Y68 PolarHBondContact O-N 3.31Å; L65-L69 HydrophobicContact CD1-CG 4.41Å; L65-L69 HydrophobicContact CG-CD1 4.29Å; L65-L69 WeakPolarHBondContact O-CG 3.27Å; L65-L69 PolarHBondContact O-N 2.88Å
66S98.5Very high98.1Very high37 Ų3765.3 Ų65.326%0.25932%0.316SS..Hα-helixtrans-58.2-46.1173.7170.30000111.6I62 N63 E64 Y68 L69 L70I62-S66 WeakPolarHBondContact O-CB 3.24Å; I62-S66 PolarHBondContact O-N 2.87Å; N63-S66 WeakPolarHBondContact O-CB 3.41Å; N63-S66 PolarHBondContact O-N 3.39Å; E64-S66 VanDerWaalsContact C-N 3.31Å; E64-S66 PolarHBondContact O-N 3.48Å; S66-Y68 VanDerWaalsContact C-N 3.33Å; S66-Y68 PolarHBondContact O-N 3.34Å; S66-L69 PolarHBondContact O-N 3.06Å; S66-L70 WeakPolarHBondContact O-CB 3.28Å; S66-L70 WeakPolarHBondContact O-CD1 3.29Å; S66-L70 WeakPolarHBondContact O-CG 3.37Å; S66-L70 PolarHBondContact O-N 3.26Å
67N98.6Very high98Very high3 Ų369.6 Ų69.62%0.01635%0.345CS..Hα-helixtrans-58.2-45.8175.7-173.7-92.7000111.9N63 E64 L65 L70 K71 P93 N95 Q98N63-N67 PolarHBondContact O-N 2.96Å; E64-N67 WeakPolarHBondContact O-CB 3.23Å; E64-N67 PolarHBondContact O-N 3.13Å; E64-N67 VanDerWaalsContact O-N 3.14Å; L65-N67 PolarHBondContact O-N 3.41Å; N67-L70 PolarHBondContact O-N 3.48Å; N67-K71 WeakPolarHBondContact O-CB 3.45Å; N67-K71 WeakPolarHBondContact O-CG 3.28Å; N67-K71 PolarHBondContact O-N 3.14Å; N67-K71 WeakPolarHBondContact OD1-CD 3.37Å; N67-K71 WeakPolarHBondContact OD1-CE 3.11Å; N67-P93 PolarHBondContact ND2-O 2.93Å; N67-N95 WeakPolarHBondContact OD1-CB 3.21Å; N67-Q98 PolarHBondContact ND2-OE1 2.98Å
68Y98Very high97.9Very high149 Ų14969.6 Ų69.658%0.58434%0.344SS*.Hα-helixtrans-58.3-49.1178173.9-93.9000111.7E64 L65 S66 K71 Y72E64-Y68 PolarHBondContact O-N 3.46Å; L65-Y68 WeakPolarHBondContact O-CB 3.5Å; L65-Y68 PolarHBondContact O-N 3.31Å; S66-Y68 VanDerWaalsContact C-N 3.33Å; S66-Y68 PolarHBondContact O-N 3.34Å; Y68-K71 PolarHBondContact O-N 2.9Å; Y68-Y72 PolarHBondContact O-N 3.44Å
69L98.4Very high97.7Very high88 Ų8869.2 Ų69.246%0.46134%0.341SS..Hα-helixtrans-63.7-43.5178.5-66.7175.2000111.9L65 S66 K71 Y72 I73L65-L69 HydrophobicContact CD1-CG 4.41Å; L65-L69 HydrophobicContact CG-CD1 4.29Å; L65-L69 WeakPolarHBondContact O-CG 3.27Å; L65-L69 PolarHBondContact O-N 2.88Å; S66-L69 PolarHBondContact O-N 3.06Å; L69-K71 VanDerWaalsContact C-N 3.33Å; L69-K71 PolarHBondContact O-N 3.12Å; L69-Y72 WeakPolarHBondContact O-CB 3.44Å; L69-Y72 PolarHBondContact O-N 3.47Å; L69-I73 WeakPolarHBondContact O-CG1 3.47Å; L69-I73 PolarHBondContact O-N 2.92Å
70L98.4Very high97.4Very high45 Ų4573.8 Ų73.824%0.23636%0.361CS..Hα-helixtrans-61.9-41.1177.2-73.3166.8000111.8S66 N67 Y72 I73 I74 P93 I160S66-L70 WeakPolarHBondContact O-CB 3.28Å; S66-L70 WeakPolarHBondContact O-CD1 3.29Å; S66-L70 WeakPolarHBondContact O-CG 3.37Å; S66-L70 PolarHBondContact O-N 3.26Å; N67-L70 PolarHBondContact O-N 3.48Å; L70-Y72 VanDerWaalsContact C-N 3.34Å; L70-I73 PolarHBondContact O-N 2.87Å; L70-I74 HydrophobicContact CB-CD1 4.3Å; L70-I74 WeakPolarHBondContact O-CB 3.35Å; L70-I74 VanDerWaalsContact O-CG1 3.28Å; L70-I74 WeakPolarHBondContact O-CG1 3.47Å; L70-I74 PolarHBondContact O-N 3.29Å; L70-P93 HydrophobicContact CB-CG 4.18Å; L70-P93 HydrophobicContact CD1-CG 4.13Å; L70-I160 HydrophobicContact CD1-CD1 3.9Å; L70-I160 HydrophobicContact CD1-CG2 3.9Å
71K98.1Very high96.9Very high23 Ų2377.7 Ų77.710%0.139%0.386CS..Hα-helixtrans-64.9-38.8174.8-78.6-175.5175.1-154.10112.4N67 Y68 L69 I73 K75 S90 M92 P93N67-K71 WeakPolarHBondContact O-CB 3.45Å; N67-K71 WeakPolarHBondContact O-CG 3.28Å; N67-K71 PolarHBondContact O-N 3.14Å; N67-K71 WeakPolarHBondContact OD1-CD 3.37Å; N67-K71 WeakPolarHBondContact OD1-CE 3.11Å; Y68-K71 PolarHBondContact O-N 2.9Å; L69-K71 VanDerWaalsContact C-N 3.33Å; L69-K71 PolarHBondContact O-N 3.12Å; K71-I73 PolarHBondContact O-N 2.67Å; K71-K75 PolarHBondContact O-N 3.02Å; K71-S90 VanDerWaalsContact CE-O 3.29Å; K71-S90 WeakPolarHBondContact CE-O 3.21Å; K71-S90 PolarHBondContact NZ-O 3.01Å; K71-M92 WeakPolarHBondContact CG-O 3.36Å; K71-P93 WeakPolarHBondContact CE-O 3.23Å
72Y96.9Very high96.5Very high153 Ų15380.1 Ų80.160%0.640%0.398SS*.Hα-helixtrans-61.6-34.5175.2-176.7-94.8000112Y68 L69 L70 K75Y68-Y72 PolarHBondContact O-N 3.44Å; L69-Y72 WeakPolarHBondContact O-CB 3.44Å; L69-Y72 PolarHBondContact O-N 3.47Å; L70-Y72 VanDerWaalsContact C-N 3.34Å; Y72-K75 WeakPolarHBondContact O-CE 3.32Å; Y72-K75 VanDerWaalsContact O-CG 3.29Å; Y72-K75 WeakPolarHBondContact O-CG 3.27Å
73I97.8Very high96.2Very high129 Ų12976.8 Ų76.866%0.66238%0.381SS*.Hα-helixtrans-82.3-51.6179-63.9163.7000111.9L69 L70 K71L69-I73 WeakPolarHBondContact O-CG1 3.47Å; L69-I73 PolarHBondContact O-N 2.92Å; L70-I73 PolarHBondContact O-N 2.87Å; K71-I73 PolarHBondContact O-N 2.67Å
74I97.5Very high95.9Very high69 Ų6977 Ų7735%0.35438%0.382SS..Hα-helixtrans-73.9-38.6-170.6-64.2165.8000111.8L70 Q76 M92L70-I74 HydrophobicContact CB-CD1 4.3Å; L70-I74 WeakPolarHBondContact O-CB 3.35Å; L70-I74 VanDerWaalsContact O-CG1 3.28Å; L70-I74 WeakPolarHBondContact O-CG1 3.47Å; L70-I74 PolarHBondContact O-N 3.29Å; I74-Q76 HydrophobicContact CG2-CB 3.98Å; I74-Q76 PolarHBondContact O-N 2.86Å; I74-M92 HydrophobicContact CD1-CG 4.48Å; I74-M92 HydrophobicContact CG2-CB 4.01Å; I74-M92 HydrophobicContact CG2-CG 4.19Å; I74-M92 HydrophobicContact CG2-SD 4.1Å
75K96.5Very high95.4Very high132 Ų13278 Ų7857%0.57440%0.395SS*.  trans49.623178.5-57.8-175-175.21780116.2K71 Y72 S90K71-K75 PolarHBondContact O-N 3.02Å; Y72-K75 WeakPolarHBondContact O-CE 3.32Å; Y72-K75 VanDerWaalsContact O-CG 3.29Å; Y72-K75 WeakPolarHBondContact O-CG 3.27Å; K75-S90 WeakPolarHBondContact CA-OG 3.33Å
76Q97.3Very high94.9Very high71 Ų7176.4 Ų76.433%0.33240%0.404SS..PPolyproline II helixtrans-63.2133.8-180-166.5-173.142.200110.4I74 S90 G91 M92 Q153I74-Q76 HydrophobicContact CG2-CB 3.98Å; I74-Q76 PolarHBondContact O-N 2.86Å; Q76-S90 CarbonylContact O-C 3.51Å; Q76-S90 WeakPolarHBondContact O-CB 3.48Å; Q76-G91 PolarHBondContact O-N 3.48Å; Q76-M92 HydrophobicContact CB-CB 3.69Å; Q76-M92 HydrophobicContact CG-CB 4.47Å; Q76-M92 PolarHBondContact OE1-SD 2.83Å; Q76-Q153 VanDerWaalsContact OE1-CG 3.26Å
77P96Very high94.6Very high101 Ų10177.5 Ų77.566%0.65641%0.406SS*.PPolyproline II helixtrans-66.4159.7176.527.4-35.3000112.5Q153P77-Q153 PolarHBondContact O-NE2 3.3Å
78R95.9Very high94.2Very high38 Ų3887 Ų8714%0.14345%0.447CS..PPolyproline II helixtrans-76152.9169.4-70.3-178.7178.6-105.76.4110.1F80 I87 S89 Y148 H149R78-F80 PolarHBondContact O-N 3.34Å; R78-I87 VanDerWaalsContact CZ-CG2 3.48Å; R78-I87 VanDerWaalsContact NE-CG2 3.28Å; R78-S89 PolarHBondContact NE-O 3.24Å; R78-S89 PolarHBondContact NH2-OG 3.44Å; R78-Y148 PolarHBondContact NH1-O 3.5Å; R78-H149 PolarHBondContact NH1-CE1 2.9Å; R78-H149 VanDerWaalsContact NH1-CE1 3.26Å; R78-H149 PolarHBondContact NH1-NE2 3.17Å
79P94.8Very high94Very high40 Ų4082.7 Ų82.726%0.2644%0.439SS..SBendtrans-67.3-33.7-173.224.6-34.2000114.4T150P79-T150 HydrophobicContact CB-CG2 3.64Å; P79-T150 HydrophobicContact CG-CG2 3.9Å
80F91.9Very high93.9Very high96 Ų9680 Ų8042%0.42143%0.427SS..  trans-132.871.2-175.4-56.6-78.7000111.3R78 I82 I83 L147R78-F80 PolarHBondContact O-N 3.34Å; F80-I82 PolarHBondContact O-N 2.92Å; F80-I82 VanDerWaalsContact O-N 3.15Å; F80-I83 HydrophobicContact CB-CB 4.2Å; F80-I83 HydrophobicContact CB-CD1 3.6Å; F80-I83 HydrophobicContact CB-CG1 3.85Å; F80-I83 HydrophobicContact CD1-CD1 4.33Å; F80-I83 HydrophobicContact CG-CD1 3.95Å; F80-I83 PolarHBondContact O-N 3.4Å; F80-I83 VanDerWaalsContact O-N 3.08Å; F80-L147 HydrophobicContact CD2-CB 3.69Å; F80-L147 HydrophobicContact CD2-CD1 4.41Å; F80-L147 HydrophobicContact CD2-CD2 4.14Å; F80-L147 HydrophobicContact CD2-CG 4.29Å; F80-L147 HydrophobicContact CE2-CB 4.22Å; F80-L147 HydrophobicContact CE2-CD2 3.77Å; F80-L147 HydrophobicContact CE2-CG 4.4Å; F80-L147 HydrophobicContact CG-CB 4.43Å
81P88.4Confident93.7Very high87 Ų8777.8 Ų77.857%0.56542%0.416SS*.THydrogen-bonded Turntrans-62-23.7-176.725.6-34.3000113.4I83 H84 P85P81-I83 VanDerWaalsContact C-N 3.33Å; P81-H84 CarbonylContact O-C 3.5Å; P81-P85 WeakPolarHBondContact O-CA 3.47Å
82I90.4Very high93.7Very high149 Ų14978.3 Ų78.376%0.76442%0.419SS*.THydrogen-bonded Turntrans-70-30178-58.5166.4000111.6F80F80-I82 PolarHBondContact O-N 2.92Å; F80-I82 VanDerWaalsContact O-N 3.15Å
83I90.9Very high93.8Very high18 Ų1871 Ų719%0.09239%0.39CS..THydrogen-bonded Turntrans-76.9-38.7-177.3-61.2-178.3000110.9A2 W7 F80 P81 P85 L147A2-I83 HydrophobicContact CB-CD1 3.97Å; W7-I83 HydrophobicContact CD2-CG2 3.67Å; W7-I83 VanDerWaalsContact CE2-CG2 3.42Å; W7-I83 HydrophobicContact CE3-CG2 4.05Å; W7-I83 HydrophobicContact CG-CG2 4.16Å; W7-I83 HydrophobicContact CH2-CG2 4.04Å; W7-I83 HydrophobicContact CZ2-CD1 4.27Å; W7-I83 HydrophobicContact CZ2-CG2 3.65Å; W7-I83 HydrophobicContact CZ3-CG2 4.22Å; F80-I83 HydrophobicContact CB-CB 4.2Å; F80-I83 HydrophobicContact CB-CD1 3.6Å; F80-I83 HydrophobicContact CB-CG1 3.85Å; F80-I83 HydrophobicContact CD1-CD1 4.33Å; F80-I83 HydrophobicContact CG-CD1 3.95Å; F80-I83 PolarHBondContact O-N 3.4Å; F80-I83 VanDerWaalsContact O-N 3.08Å; P81-I83 VanDerWaalsContact C-N 3.33Å; I83-P85 VanDerWaalsContact O-CD 3.3Å; I83-P85 WeakPolarHBondContact O-CD 3.3Å; I83-L147 HydrophobicContact CD1-CB 4.25Å; I83-L147 HydrophobicContact CD1-CD1 3.43Å; I83-L147 VanDerWaalsContact CD1-CD1 3.43Å; I83-L147 HydrophobicContact CD1-CG 4.49Å
84H92Very high93.8Very high8 Ų864.9 Ų64.94%0.03736%0.359CS..SBendtrans-121.764.5-178.6-55.4-59.1000111.4W7 E16 P81 G86 I87 L146 Y148W7-H84 AromaticContact CE3-CE1 3.81Å; W7-H84 AromaticContact CZ3-CE1 3.77Å; E16-H84 IonicContact OE2-CE1 3.73Å; E16-H84 IonicContact OE2-CG 3.71Å; E16-H84 IonicContact OE2-ND1 2.76Å; E16-H84 PolarHBondContact OE2-ND1 3.04Å; P81-H84 CarbonylContact O-C 3.5Å; H84-G86 PolarHBondContact O-N 3.32Å; H84-G86 VanDerWaalsContact O-N 3.14Å; H84-I87 HydrophobicContact CB-CD1 4.06Å; H84-I87 HydrophobicContact CB-CG1 4.27Å; H84-I87 PolarHBondContact O-N 3.49Å; H84-I87 VanDerWaalsContact O-N 3.09Å; H84-L146 PolarHBondContact NE2-O 2.94Å; H84-Y148 HydrophobicContact CB-CE1 4.18Å; H84-Y148 AromaticContact CD2-CD1 3.55Å; H84-Y148 AromaticContact CD2-CE1 3.56Å; H84-Y148 AromaticContact CE1-CE1 3.65Å; H84-Y148 AromaticContact CE1-CE2 3.85Å; H84-Y148 AromaticContact CE1-CZ 3.42Å; H84-Y148 VanDerWaalsContact CE1-CZ 3.42Å; H84-Y148 AromaticContact CG-CD1 3.92Å; H84-Y148 AromaticContact CG-CE1 3.5Å; H84-Y148 AromaticContact ND1-CE1 3.57Å; H84-Y148 AromaticContact ND1-CZ 3.67Å; H84-Y148 AromaticContact NE2-CD1 3.77Å; H84-Y148 AromaticContact NE2-CD2 3.95Å; H84-Y148 AromaticContact NE2-CE1 3.64Å; H84-Y148 AromaticContact NE2-CE2 3.86Å; H84-Y148 AromaticContact NE2-CG 3.91Å; H84-Y148 AromaticContact NE2-CZ 3.69Å
85P88.7Confident93.8Very high99 Ų9963.3 Ų63.364%0.64335%0.351SS*.THydrogen-bonded Turntrans-64.8-21.8-17126.6-35.3000113.5P81 I83 I87P81-P85 WeakPolarHBondContact O-CA 3.47Å; I83-P85 VanDerWaalsContact O-CD 3.3Å; I83-P85 WeakPolarHBondContact O-CD 3.3Å; P85-I87 PolarHBondContact O-N 3.33Å
86G88.9Confident93.9Very high70 Ų7059.1 Ų59.172%0.72233%0.333SS*.THydrogen-bonded Turntrans-69.3-14.7175.900000114.5H84H84-G86 PolarHBondContact O-N 3.32Å; H84-G86 VanDerWaalsContact O-N 3.14Å
87I91.5Very high94Very high59 Ų5955.8 Ų55.830%0.30332%0.318SS..  trans-97.7104.5-173.6-56.3-175.5000111.4R78 H84 P85 S89 Y148R78-I87 VanDerWaalsContact CZ-CG2 3.48Å; R78-I87 VanDerWaalsContact NE-CG2 3.28Å; H84-I87 HydrophobicContact CB-CD1 4.06Å; H84-I87 HydrophobicContact CB-CG1 4.27Å; H84-I87 PolarHBondContact O-N 3.49Å; H84-I87 VanDerWaalsContact O-N 3.09Å; P85-I87 PolarHBondContact O-N 3.33Å; I87-S89 WeakPolarHBondContact CG2-OG 3.37Å; I87-Y148 HydrophobicContact CD1-CD1 3.7Å; I87-Y148 HydrophobicContact CD1-CE1 3.38Å
88K90.9Very high94.1Very high204 Ų20451 Ų5189%0.88729%0.286SS*.  trans-89.2-9.3179.1-58.1-176-178.6-179.40114.7
89S93.1Very high94.3Very high58 Ų5849.5 Ų49.541%0.40628%0.281SS..SBendtrans-75.8144.9-178.261.70000112.6R78 I87R78-S89 PolarHBondContact NE-O 3.24Å; R78-S89 PolarHBondContact NH2-OG 3.44Å; I87-S89 WeakPolarHBondContact CG2-OG 3.37Å
90S95.5Very high94.5Very high30 Ų3047.6 Ų47.621%0.2127%0.269CS..  trans-59151175.2-51.80000112.6K71 K75 Q76K71-S90 VanDerWaalsContact CE-O 3.29Å; K71-S90 WeakPolarHBondContact CE-O 3.21Å; K71-S90 PolarHBondContact NZ-O 3.01Å; K75-S90 WeakPolarHBondContact CA-OG 3.33Å; Q76-S90 CarbonylContact O-C 3.51Å; Q76-S90 WeakPolarHBondContact O-CB 3.48Å
91G95.8Very high94.8Very high0 Ų043.2 Ų43.20%025%0.251CS..  trans-80.1-26.1-174.600000114.6Q76 P93 H149 Q153Q76-G91 PolarHBondContact O-N 3.48Å; G91-P93 CarbonylContact O-C 3.55Å; G91-H149 PolarHBondContact O-CE1 3.09Å; G91-H149 PolarHBondContact O-ND1 3.42Å; G91-Q153 PolarHBondContact O-OE1 3.34Å
92M97.7Very high95.3Very high34 Ų3439.2 Ų39.217%0.16723%0.225CC..SBendtrans-119.9133.7-172.4-167.4172.1179.800113.7K71 I74 Q76 Q153 V156K71-M92 WeakPolarHBondContact CG-O 3.36Å; I74-M92 HydrophobicContact CD1-CG 4.48Å; I74-M92 HydrophobicContact CG2-CB 4.01Å; I74-M92 HydrophobicContact CG2-CG 4.19Å; I74-M92 HydrophobicContact CG2-SD 4.1Å; Q76-M92 HydrophobicContact CB-CB 3.69Å; Q76-M92 HydrophobicContact CG-CB 4.47Å; Q76-M92 PolarHBondContact OE1-SD 2.83Å; M92-Q153 HydrophobicContact CB-CG 4.03Å; M92-Q153 HydrophobicContact CG-CG 4.35Å; M92-V156 HydrophobicContact CE-CB 3.79Å; M92-V156 HydrophobicContact CE-CG1 3.64Å; M92-V156 HydrophobicContact CE-CG2 3.59Å
93P98.3Very high95.7Very high0 Ų033.4 Ų33.40%019%0.194CC..SBendcis-73.4157.4-12.224.4-26.8000112.5N67 L70 K71 G91 N95 Q98 V156 I160N67-P93 PolarHBondContact ND2-O 2.93Å; L70-P93 HydrophobicContact CB-CG 4.18Å; L70-P93 HydrophobicContact CD1-CG 4.13Å; K71-P93 WeakPolarHBondContact CE-O 3.23Å; G91-P93 CarbonylContact O-C 3.55Å; P93-N95 PolarHBondContact O-N 3.35Å; P93-Q98 VanDerWaalsContact CG-OE1 3.26Å; P93-V156 HydrophobicContact CB-CG1 4.36Å; P93-I160 HydrophobicContact CB-CD1 4.25Å; P93-I160 HydrophobicContact CG-CD1 4.04Å
94S98.5Very high96.1Very high0 Ų033.3 Ų33.30%020%0.195CC..  trans-62.7119.4172.51710000110.1A97 Q98 Q153S94-A97 PolarHBondContact O-N 2.94Å; S94-A97 PolarHBondContact OG-N 3.42Å; S94-Q98 WeakPolarHBondContact O-CB 3.34Å; S94-Q98 PolarHBondContact O-N 3.41Å; S94-Q153 PolarHBondContact N-O 2.82Å; S94-Q153 VanDerWaalsContact N-O 3.09Å
95N97.8Very high96.4Very high36 Ų3633.8 Ų33.819%0.19320%0.2CC..Hα-helixtrans-60.8-50.3-178.9-176.3-14.4000111E64 N67 P93 A97 Q98 F99E64-N95 PolarHBondContact OE1-ND2 2.96Å; E64-N95 PolarHBondContact OE2-ND2 3.33Å; E64-N95 PolarHBondContact OE2-OD1 2.95Å; N67-N95 WeakPolarHBondContact OD1-CB 3.21Å; P93-N95 PolarHBondContact O-N 3.35Å; N95-A97 PolarHBondContact O-N 3.02Å; N95-Q98 PolarHBondContact O-N 2.88Å; N95-F99 PolarHBondContact O-N 3.25Å
96H98.3Very high96.8Very high44 Ų4429.1 Ų29.120%0.20417%0.169CC..Hα-helixtrans-56.6-41.3179.1-71.443.7000111.9S31 M100 V139 R143S31-H96 PolarHBondContact O-CD2 2.7Å; S31-H96 PolarHBondContact O-NE2 3.33Å; H96-M100 WeakPolarHBondContact O-CB 3.36Å; H96-M100 WeakPolarHBondContact O-CG 3.35Å; H96-M100 PolarHBondContact O-N 2.95Å; H96-V139 HydrophobicContact CB-CG1 4.07Å; H96-R143 HydrophobicContact CB-CG 3.99Å
97A98.7Very high97.2Very high0 Ų027.5 Ų27.50%014%0.143CC..Hα-helixtrans-68.6-39179.200000112.1S94 N95 G101 V154 I158S94-A97 PolarHBondContact O-N 2.94Å; S94-A97 PolarHBondContact OG-N 3.42Å; N95-A97 PolarHBondContact O-N 3.02Å; A97-G101 PolarHBondContact O-N 3.32Å; A97-V154 HydrophobicContact CB-CB 4.31Å; A97-V154 HydrophobicContact CB-CG1 3.9Å; A97-V154 HydrophobicContact CB-CG2 4.5Å; A97-V154 WeakPolarHBondContact CB-O 3.41Å; A97-I158 HydrophobicContact CB-CG1 4.09Å
98Q98.8Very high97.5Very high0 Ų024.9 Ų24.90%013%0.131CC..Hα-helixtrans-68.2-43175.9-170.5-179.5-36.300112.6N63 N67 P93 S94 N95 G101 F102 G157 I160 G161N63-Q98 PolarHBondContact ND2-O 3.41Å; N63-Q98 PolarHBondContact O-NE2 3.47Å; N63-Q98 WeakPolarHBondContact OD1-CG 3.39Å; N63-Q98 PolarHBondContact OD1-NE2 3.3Å; N67-Q98 PolarHBondContact ND2-OE1 2.98Å; P93-Q98 VanDerWaalsContact CG-OE1 3.26Å; S94-Q98 WeakPolarHBondContact O-CB 3.34Å; S94-Q98 PolarHBondContact O-N 3.41Å; N95-Q98 PolarHBondContact O-N 2.88Å; Q98-G101 PolarHBondContact O-N 3.4Å; Q98-F102 WeakPolarHBondContact O-CB 3.48Å; Q98-F102 PolarHBondContact O-N 2.86Å; Q98-G157 WeakPolarHBondContact CA-O 3.46Å; Q98-G157 WeakPolarHBondContact CB-O 3.35Å; Q98-I160 HydrophobicContact CG-CB 4.39Å; Q98-I160 HydrophobicContact CG-CG2 4.14Å; Q98-G161 VanDerWaalsContact O-CA 3.22Å; Q98-G161 WeakPolarHBondContact O-CA 3.38Å
99F98.8Very high97.8Very high8 Ų818.5 Ų18.54%0.03510%0.104CC..Hα-helixtrans-60.5-48.6173.9-177.9-85.7000111.2P34 I37 I38 C60 N95 F102 F103P34-F99 HydrophobicContact CB-CD1 3.69Å; P34-F99 HydrophobicContact CB-CE1 3.89Å; P34-F99 HydrophobicContact CB-CG 4.28Å; P34-F99 HydrophobicContact CG-CD1 4.17Å; I37-F99 HydrophobicContact CB-CE1 4.06Å; I37-F99 HydrophobicContact CB-CZ 4.18Å; I37-F99 HydrophobicContact CD1-CE1 4.04Å; I37-F99 HydrophobicContact CG2-CE1 3.91Å; I37-F99 HydrophobicContact CG2-CZ 3.76Å; I38-F99 HydrophobicContact CD1-CE2 4.27Å; I38-F99 HydrophobicContact CG1-CE2 4.08Å; I38-F99 HydrophobicContact CG1-CZ 4.04Å; C60-F99 HydrophobicContact CB-CE2 4.16Å; N95-F99 PolarHBondContact O-N 3.25Å; F99-F102 WeakPolarHBondContact O-CB 3.45Å; F99-F102 PolarHBondContact O-N 3.49Å; F99-F103 WeakPolarHBondContact O-CB 3.18Å; F99-F103 PolarHBondContact O-N 3.03Å
100M98.8Very high97.9Very high0 Ų018.5 Ų18.50%010%0.097CC..Hα-helixtrans-70.1-33.7-178.8-65.5-57.4-62.700112.7V33 P34 I37 H96 F103 C104 I135 T136 V139V33-M100 HydrophobicContact CG1-CE 3.87Å; V33-M100 HydrophobicContact CG1-SD 4.04Å; P34-M100 HydrophobicContact CG-CG 4.29Å; P34-M100 HydrophobicContact CG-SD 3.99Å; I37-M100 HydrophobicContact CD1-CE 4.15Å; I37-M100 HydrophobicContact CD1-SD 3.9Å; H96-M100 WeakPolarHBondContact O-CB 3.36Å; H96-M100 WeakPolarHBondContact O-CG 3.35Å; H96-M100 PolarHBondContact O-N 2.95Å; M100-F103 HydrophobicContact CE-CD1 3.84Å; M100-F103 HydrophobicContact CE-CE1 4.24Å; M100-F103 PolarHBondContact O-N 3Å; M100-C104 VanDerWaalsContact O-CB 3.25Å; M100-C104 WeakPolarHBondContact O-CB 3.22Å; M100-C104 PolarHBondContact O-N 3.35Å; M100-I135 HydrophobicContact CE-CG2 3.99Å; M100-T136 HydrophobicContact CB-CG2 3.75Å; M100-T136 WeakPolarHBondContact CE-OG1 3.39Å; M100-V139 HydrophobicContact CE-CG2 4.21Å; M100-V139 HydrophobicContact CG-CB 3.96Å; M100-V139 HydrophobicContact CG-CG1 3.68Å; M100-V139 HydrophobicContact CG-CG2 4.28Å; M100-V139 HydrophobicContact SD-CG2 4.37Å
101G98.8Very high97.8Very high4 Ų417.9 Ų17.94%0.0419%0.091CC..Hα-helixtrans-60.5-45.1170.900000111.9A97 Q98 A105 G162A97-G101 PolarHBondContact O-N 3.32Å; Q98-G101 PolarHBondContact O-N 3.4Å; G101-A105 WeakPolarHBondContact O-CB 3.17Å; G101-A105 PolarHBondContact O-N 2.89Å; G101-G162 WeakPolarHBondContact O-CA 3.49Å
102F98.9Very high97.6Very high3 Ų320.5 Ų20.51%0.01310%0.102CC..Hα-helixtrans-60.6-51.6174180-80.2000111.5Y56 G59 N63 Q98 F99 C104 A105 Y106 G161 W168Y56-F102 HydrophobicContact CD2-CE1 4.07Å; Y56-F102 HydrophobicContact CE2-CD1 4.24Å; Y56-F102 AromaticContact CE2-CE1 3.69Å; Y56-F102 HydrophobicContact CE2-CE1 3.69Å; G59-F102 VanDerWaalsContact C-CZ 3.41Å; N63-F102 HydrophobicContact CB-CD2 3.8Å; N63-F102 HydrophobicContact CB-CE2 4.24Å; N63-F102 HydrophobicContact CB-CG 4.19Å; N63-F102 WeakPolarHBondContact ND2-CB 3.27Å; Q98-F102 WeakPolarHBondContact O-CB 3.48Å; Q98-F102 PolarHBondContact O-N 2.86Å; F99-F102 WeakPolarHBondContact O-CB 3.45Å; F99-F102 PolarHBondContact O-N 3.49Å; F102-C104 PolarHBondContact O-N 2.94Å; F102-A105 PolarHBondContact O-N 3Å; F102-Y106 HydrophobicContact CE1-CD2 4.41Å; F102-Y106 HydrophobicContact CZ-CD2 4.25Å; F102-Y106 VanDerWaalsContact O-CB 3.29Å; F102-Y106 WeakPolarHBondContact O-CB 3.32Å; F102-Y106 PolarHBondContact O-N 3.47Å; F102-G161 WeakPolarHBondContact CA-O 3.37Å; F102-G161 WeakPolarHBondContact CB-O 3.48Å; F102-G161 VanDerWaalsContact N-C 3.32Å; F102-G161 PolarHBondContact N-O 3.05Å; F102-W168 HydrophobicContact CE2-CB 3.92Å; F102-W168 HydrophobicContact CE2-CG 4.3Å; F102-W168 HydrophobicContact CZ-CB 4.14Å; F102-W168 AromaticContact CZ-CD1 3.82Å; F102-W168 HydrophobicContact CZ-CG 4.14Å
103F98.7Very high97.3Very high27 Ų2722.8 Ų22.812%0.11811%0.114CC..Hα-helixtrans-54.6-52.3178165.6-100.6000111.6I37 Y56 F99 M100 A105 Y106 I107 C132I37-F103 HydrophobicContact CD1-CD1 4.18Å; I37-F103 HydrophobicContact CD1-CD2 3.91Å; I37-F103 HydrophobicContact CD1-CE1 4.22Å; I37-F103 HydrophobicContact CD1-CE2 3.94Å; I37-F103 HydrophobicContact CD1-CG 4.02Å; I37-F103 HydrophobicContact CD1-CZ 4.1Å; I37-F103 HydrophobicContact CG1-CE2 4.43Å; I37-F103 HydrophobicContact CG2-CD2 4.23Å; I37-F103 HydrophobicContact CG2-CE2 4.48Å; Y56-F103 WeakPolarHBondContact OH-CD2 3.48Å; F99-F103 WeakPolarHBondContact O-CB 3.18Å; F99-F103 PolarHBondContact O-N 3.03Å; M100-F103 HydrophobicContact CE-CD1 3.84Å; M100-F103 HydrophobicContact CE-CE1 4.24Å; M100-F103 PolarHBondContact O-N 3Å; F103-A105 PolarHBondContact O-N 3.06Å; F103-Y106 PolarHBondContact O-N 2.94Å; F103-I107 HydrophobicContact CD2-CG1 3.83Å; F103-I107 HydrophobicContact CE2-CD1 4.47Å; F103-I107 HydrophobicContact CE2-CG1 3.67Å; F103-I107 HydrophobicContact CZ-CG1 4.25Å; F103-I107 VanDerWaalsContact O-CB 3.27Å; F103-I107 WeakPolarHBondContact O-CB 3.4Å; F103-I107 VanDerWaalsContact O-CG1 3.32Å; F103-I107 WeakPolarHBondContact O-CG1 3.5Å; F103-I107 PolarHBondContact O-N 2.79Å; F103-C132 HydrophobicContact CE1-CB 3.86Å; F103-C132 HydrophobicContact CZ-CB 4.24Å
104C98.5Very high96.7Very high16 Ų1625.8 Ų25.811%0.10813%0.126CC..Hα-helixtrans-62.9-44.4-176.4-169.50000111.8M100 F102 G108 T136M100-C104 VanDerWaalsContact O-CB 3.25Å; M100-C104 WeakPolarHBondContact O-CB 3.22Å; M100-C104 PolarHBondContact O-N 3.35Å; F102-C104 PolarHBondContact O-N 2.94Å; C104-G108 PolarHBondContact O-N 3.03Å; C104-T136 HydrophobicContact CB-CG2 4.1Å
105A98.6Very high96Very high17 Ų1727.5 Ų27.514%0.1414%0.135CC..Hα-helixtrans-66.2-50.3178.700000111.8G101 F102 F103 I107 G108 F109 G162 I166G101-A105 WeakPolarHBondContact O-CB 3.17Å; G101-A105 PolarHBondContact O-N 2.89Å; F102-A105 PolarHBondContact O-N 3Å; F103-A105 PolarHBondContact O-N 3.06Å; A105-I107 PolarHBondContact O-N 3.41Å; A105-G108 PolarHBondContact O-N 2.71Å; A105-F109 VanDerWaalsContact O-CD2 3.32Å; A105-F109 WeakPolarHBondContact O-CD2 3.29Å; A105-F109 PolarHBondContact O-N 2.9Å; A105-G162 WeakPolarHBondContact CB-O 2.89Å; A105-I166 HydrophobicContact CB-CG1 4.05Å
106Y98.7Very high94.7Very high2 Ų227.7 Ų27.71%0.00814%0.136CC..Hα-helixtrans-61.5-48-178.9-170.1-79.2000111.6H52 Y56 F102 F103 G108 F109 F110 W168 F169H52-Y106 AromaticContact CE1-CE1 3.76Å; H52-Y106 AromaticContact CE1-CZ 3.75Å; H52-Y106 PolarHBondContact CE1-OH 3.27Å; Y56-Y106 AromaticContact CD2-CD1 3.18Å; Y56-Y106 HydrophobicContact CD2-CD1 3.18Å; Y56-Y106 HydrophobicContact CD2-CD2 4.02Å; Y56-Y106 AromaticContact CD2-CE1 3.27Å; Y56-Y106 HydrophobicContact CD2-CE1 3.27Å; Y56-Y106 HydrophobicContact CD2-CE2 4.09Å; Y56-Y106 AromaticContact CD2-CG 3.57Å; Y56-Y106 HydrophobicContact CD2-CG 3.57Å; Y56-Y106 AromaticContact CD2-CZ 3.72Å; Y56-Y106 AromaticContact CE2-CD1 3.61Å; Y56-Y106 HydrophobicContact CE2-CD1 3.61Å; Y56-Y106 HydrophobicContact CE2-CE1 4.16Å; Y56-Y106 AromaticContact CE2-CG 3.81Å; Y56-Y106 HydrophobicContact CE2-CG 3.81Å; Y56-Y106 HydrophobicContact CG-CD1 4.14Å; Y56-Y106 AromaticContact CG-CE1 3.82Å; Y56-Y106 HydrophobicContact CG-CE1 3.82Å; F102-Y106 HydrophobicContact CE1-CD2 4.41Å; F102-Y106 HydrophobicContact CZ-CD2 4.25Å; F102-Y106 VanDerWaalsContact O-CB 3.29Å; F102-Y106 WeakPolarHBondContact O-CB 3.32Å; F102-Y106 PolarHBondContact O-N 3.47Å; F103-Y106 PolarHBondContact O-N 2.94Å; Y106-G108 VanDerWaalsContact C-N 3.34Å; Y106-G108 PolarHBondContact O-N 3.45Å; Y106-F109 PolarHBondContact O-N 3.42Å; Y106-F110 WeakPolarHBondContact O-CB 3.32Å; Y106-F110 PolarHBondContact O-N 3.47Å; Y106-W168 AromaticContact CE2-CD1 3.65Å; Y106-F169 HydrophobicContact CD1-CD2 4.41Å; Y106-F169 HydrophobicContact CD2-CB 3.69Å; Y106-F169 HydrophobicContact CD2-CD2 4.26Å; Y106-F169 HydrophobicContact CE1-CD2 4.24Å; Y106-F169 HydrophobicContact CE2-CB 3.85Å; Y106-F169 HydrophobicContact CE2-CD2 4.07Å; Y106-F169 HydrophobicContact CE2-CG 4.47Å; Y106-F169 HydrophobicContact CG-CB 4.38Å; Y106-F169 HydrophobicContact CG-CD2 4.44Å
107I97.3Very high93.1Very high35 Ų3528.9 Ų28.918%0.17914%0.141CC..Hα-helixtrans-64.7-38.6178.5-69.1-61.6000111.3F103 A105 F109 F110 L111F103-I107 HydrophobicContact CD2-CG1 3.83Å; F103-I107 HydrophobicContact CE2-CD1 4.47Å; F103-I107 HydrophobicContact CE2-CG1 3.67Å; F103-I107 HydrophobicContact CZ-CG1 4.25Å; F103-I107 VanDerWaalsContact O-CB 3.27Å; F103-I107 WeakPolarHBondContact O-CB 3.4Å; F103-I107 VanDerWaalsContact O-CG1 3.32Å; F103-I107 WeakPolarHBondContact O-CG1 3.5Å; F103-I107 PolarHBondContact O-N 2.79Å; A105-I107 PolarHBondContact O-N 3.41Å; I107-F109 PolarHBondContact O-N 2.95Å; I107-F110 PolarHBondContact O-N 3.47Å; I107-L111 HydrophobicContact CG2-CD1 3.61Å; I107-L111 HydrophobicContact CG2-CG 3.95Å; I107-L111 VanDerWaalsContact O-CB 3.28Å; I107-L111 WeakPolarHBondContact O-CB 3.29Å; I107-L111 WeakPolarHBondContact O-CG 3.49Å; I107-L111 PolarHBondContact O-N 3.31Å
108G97Very high91.5Very high5 Ų540 Ų405%0.05218%0.183CC..Hα-helixtrans-57.3-49.8174.500000112.4C104 A105 Y106 L111 F112 Y129C104-G108 PolarHBondContact O-N 3.03Å; A105-G108 PolarHBondContact O-N 2.71Å; Y106-G108 VanDerWaalsContact C-N 3.34Å; Y106-G108 PolarHBondContact O-N 3.45Å; G108-L111 PolarHBondContact O-N 2.99Å; G108-F112 WeakPolarHBondContact O-CD2 3.34Å; G108-F112 PolarHBondContact O-N 3.06Å; G108-Y129 VanDerWaalsContact CA-CD2 3.47Å; G108-Y129 VanDerWaalsContact CA-CE2 3.48Å
109F96.5Very high90.2Very high70 Ų7041.3 Ų41.331%0.30719%0.192SC..Hα-helixtrans-65-41.3177.3-84.7-111.5000112A105 Y106 I107 L111 F112 I113 I166 F169A105-F109 VanDerWaalsContact O-CD2 3.32Å; A105-F109 WeakPolarHBondContact O-CD2 3.29Å; A105-F109 PolarHBondContact O-N 2.9Å; Y106-F109 PolarHBondContact O-N 3.42Å; I107-F109 PolarHBondContact O-N 2.95Å; F109-L111 PolarHBondContact O-N 3.41Å; F109-F112 PolarHBondContact O-N 3.43Å; F109-I113 HydrophobicContact CB-CD1 4.42Å; F109-I113 HydrophobicContact CD1-CD1 3.52Å; F109-I113 HydrophobicContact CE1-CD1 4.16Å; F109-I113 HydrophobicContact CG-CD1 4.31Å; F109-I113 VanDerWaalsContact O-CB 3.25Å; F109-I113 WeakPolarHBondContact O-CB 3.28Å; F109-I113 PolarHBondContact O-N 2.77Å; F109-I166 HydrophobicContact CD2-CG1 4.34Å; F109-I166 HydrophobicContact CE1-CG2 4.27Å; F109-I166 HydrophobicContact CE2-CD1 4.23Å; F109-I166 HydrophobicContact CE2-CG1 3.75Å; F109-I166 HydrophobicContact CE2-CG2 4.46Å; F109-I166 HydrophobicContact CZ-CD1 4.47Å; F109-I166 HydrophobicContact CZ-CG1 4.1Å; F109-I166 HydrophobicContact CZ-CG2 3.99Å; F109-F169 HydrophobicContact CB-CB 4.32Å; F109-F169 HydrophobicContact CB-CD1 3.5Å; F109-F169 VanDerWaalsContact CB-CD1 3.5Å; F109-F169 HydrophobicContact CB-CD2 3.89Å; F109-F169 HydrophobicContact CB-CE1 3.71Å; F109-F169 HydrophobicContact CB-CE2 4.08Å; F109-F169 HydrophobicContact CB-CG 3.59Å; F109-F169 HydrophobicContact CB-CZ 3.99Å; F109-F169 AromaticContact CD1-CD1 3.76Å; F109-F169 HydrophobicContact CD1-CD1 3.76Å; F109-F169 HydrophobicContact CD1-CE1 4.08Å; F109-F169 HydrophobicContact CG-CD1 4.02Å; F109-F169 HydrophobicContact CG-CE1 4.4Å; F109-F169 HydrophobicContact CG-CG 4.37Å
110F94.9Very high89.3Confident58 Ų5844 Ų4425%0.25420%0.204SC..Iπ-helixtrans-59-48.6175.4-178.6-98.4000112.2H52 Y106 I107 F112 R114 L115 F169H52-F110 AromaticContact CE1-CD2 3.17Å; H52-F110 WeakPolarHBondContact CE1-CD2 3.27Å; H52-F110 AromaticContact CE1-CE2 3.39Å; H52-F110 WeakPolarHBondContact CE1-CE2 3.37Å; H52-F110 AromaticContact ND1-CD2 3.74Å; H52-F110 AromaticContact ND1-CE2 3.49Å; H52-F110 WeakPolarHBondContact ND1-CE2 3.48Å; H52-F110 AromaticContact NE2-CD2 3.74Å; H52-F110 AromaticContact NE2-CE2 3.88Å; Y106-F110 WeakPolarHBondContact O-CB 3.32Å; Y106-F110 PolarHBondContact O-N 3.47Å; I107-F110 PolarHBondContact O-N 3.47Å; F110-F112 PolarHBondContact O-N 2.89Å; F110-R114 HydrophobicContact CD2-CB 3.74Å; F110-R114 HydrophobicContact CD2-CG 4.06Å; F110-R114 HydrophobicContact CE2-CB 3.98Å; F110-R114 HydrophobicContact CE2-CG 3.86Å; F110-R114 HydrophobicContact CG-CB 4.34Å; F110-R114 CarbonylContact O-C 3.6Å; F110-R114 WeakPolarHBondContact O-CA 3.33Å; F110-R114 VanDerWaalsContact O-CB 3.23Å; F110-R114 WeakPolarHBondContact O-CB 3.3Å; F110-R114 PolarHBondContact O-N 3.49Å; F110-L115 PolarHBondContact O-N 3.46Å; F110-F169 VanDerWaalsContact CA-CE2 3.48Å; F110-F169 HydrophobicContact CB-CD2 4.43Å; F110-F169 HydrophobicContact CB-CE2 3.93Å; F110-F169 HydrophobicContact CD2-CE2 4.38Å
111L93.9Very high88.8Confident16 Ų1647.1 Ų47.18%0.08423%0.226CC..Iπ-helixtrans-63.9-38.9179.8-73.6176.9000112.6I107 G108 F109 L115 Q117 T125 V128I107-L111 HydrophobicContact CG2-CD1 3.61Å; I107-L111 HydrophobicContact CG2-CG 3.95Å; I107-L111 VanDerWaalsContact O-CB 3.28Å; I107-L111 WeakPolarHBondContact O-CB 3.29Å; I107-L111 WeakPolarHBondContact O-CG 3.49Å; I107-L111 PolarHBondContact O-N 3.31Å; G108-L111 PolarHBondContact O-N 2.99Å; F109-L111 PolarHBondContact O-N 3.41Å; L111-L115 HydrophobicContact CD2-CD2 3.96Å; L111-L115 VanDerWaalsContact O-CB 3.29Å; L111-L115 WeakPolarHBondContact O-CB 3.31Å; L111-Q117 PolarHBondContact O-NE2 3.49Å; L111-T125 HydrophobicContact CB-CG2 3.72Å; L111-T125 WeakPolarHBondContact O-CG2 3.19Å; L111-V128 HydrophobicContact CD1-CB 4.26Å; L111-V128 HydrophobicContact CD1-CG1 3.84Å; L111-V128 HydrophobicContact CD2-CG1 4.36Å
112F93Very high88.3Confident55 Ų5553.3 Ų53.324%0.24125%0.248CC..Iπ-helixtrans-94-22.3-173.7-67.3-54.3000115.2G108 F109 F110 R122 T125 Y129G108-F112 WeakPolarHBondContact O-CD2 3.34Å; G108-F112 PolarHBondContact O-N 3.06Å; F109-F112 PolarHBondContact O-N 3.43Å; F110-F112 PolarHBondContact O-N 2.89Å; F112-R122 VanDerWaalsContact CD1-NH2 3.3Å; F112-R122 VanDerWaalsContact CE1-CZ 3.42Å; F112-T125 HydrophobicContact CD1-CG2 3.78Å; F112-T125 HydrophobicContact CE1-CG2 3.81Å; F112-Y129 AromaticContact CE2-CD1 3.86Å; F112-Y129 HydrophobicContact CE2-CD1 3.86Å; F112-Y129 HydrophobicContact CE2-CD2 4.25Å; F112-Y129 HydrophobicContact CE2-CE1 4.41Å; F112-Y129 AromaticContact CE2-CG 3.76Å; F112-Y129 HydrophobicContact CE2-CG 3.76Å; F112-Y129 HydrophobicContact CZ-CD1 4.2Å; F112-Y129 HydrophobicContact CZ-CG 4.17Å
113I90.3Very high87.9Confident82 Ų8260.4 Ų60.442%0.42128%0.282SS..Iπ-helixtrans-106.2-44.9-179.6-58.9177000110.9F109 F169F109-I113 HydrophobicContact CB-CD1 4.42Å; F109-I113 HydrophobicContact CD1-CD1 3.52Å; F109-I113 HydrophobicContact CE1-CD1 4.16Å; F109-I113 HydrophobicContact CG-CD1 4.31Å; F109-I113 VanDerWaalsContact O-CB 3.25Å; F109-I113 WeakPolarHBondContact O-CB 3.28Å; F109-I113 PolarHBondContact O-N 2.77Å; I113-F169 HydrophobicContact CB-CE1 4.33Å; I113-F169 HydrophobicContact CB-CZ 4.16Å; I113-F169 HydrophobicContact CD1-CE1 3.9Å; I113-F169 HydrophobicContact CG2-CE1 4.45Å; I113-F169 HydrophobicContact CG2-CZ 4.42Å
114R85.7Confident87.6Confident63 Ų6364.1 Ų64.124%0.23830%0.298CS..Iπ-helixtrans-90.3-40.5-172-15872-178.797-27.3113.1F110 N116 T198F110-R114 HydrophobicContact CD2-CB 3.74Å; F110-R114 HydrophobicContact CD2-CG 4.06Å; F110-R114 HydrophobicContact CE2-CB 3.98Å; F110-R114 HydrophobicContact CE2-CG 3.86Å; F110-R114 HydrophobicContact CG-CB 4.34Å; F110-R114 CarbonylContact O-C 3.6Å; F110-R114 WeakPolarHBondContact O-CA 3.33Å; F110-R114 VanDerWaalsContact O-CB 3.23Å; F110-R114 WeakPolarHBondContact O-CB 3.3Å; F110-R114 PolarHBondContact O-N 3.49Å; R114-N116 PolarHBondContact O-N 2.92Å; R114-T198 PolarHBondContact NH1-O 3.48Å; R114-T198 PolarHBondContact NH2-O 3.29Å
115L83.3Confident87.3Confident36 Ų3663.3 Ų63.319%0.18829%0.293CS..SBendtrans-69.5118.4-179.8-164.769.6000109.3F110 L111 Q117 F120 T125F110-L115 PolarHBondContact O-N 3.46Å; L111-L115 HydrophobicContact CD2-CD2 3.96Å; L111-L115 VanDerWaalsContact O-CB 3.29Å; L111-L115 WeakPolarHBondContact O-CB 3.31Å; L115-Q117 PolarHBondContact O-N 2.97Å; L115-Q117 VanDerWaalsContact O-N 3.13Å; L115-Q117 PolarHBondContact O-NE2 3.47Å; L115-F120 HydrophobicContact CD1-CD2 3.69Å; L115-F120 HydrophobicContact CD1-CE2 3.78Å; L115-F120 HydrophobicContact CD2-CB 4.18Å; L115-F120 HydrophobicContact CD2-CD2 3.7Å; L115-F120 HydrophobicContact CD2-CE2 4.42Å; L115-F120 HydrophobicContact CD2-CG 4.12Å; L115-F120 HydrophobicContact CG-CD2 3.72Å; L115-F120 HydrophobicContact CG-CE2 4.34Å; L115-T125 HydrophobicContact CD2-CG2 4.42Å
116N70.6Confident87.1Confident41 Ų4164.7 Ų64.722%0.21930%0.299CS..  trans-64.1118.1-178.5-171.6-19.9000110.2R114 R118 S119 F120 N201R114-N116 PolarHBondContact O-N 2.92Å; N116-R118 PolarHBondContact O-N 2.92Å; N116-R118 VanDerWaalsContact O-N 3.14Å; N116-R118 VanDerWaalsContact OD1-CB 3.27Å; N116-R118 WeakPolarHBondContact OD1-CB 3.46Å; N116-R118 PolarHBondContact OD1-N 3.07Å; N116-S119 WeakPolarHBondContact O-CB 3.49Å; N116-S119 PolarHBondContact O-N 3.31Å; N116-F120 PolarHBondContact O-N 3.25Å; N116-N201 HydrophobicContact CB-CB 4.31Å; N116-N201 WeakPolarHBondContact ND2-CB 3.4Å; N116-N201 PolarHBondContact ND2-OD1 2.9Å
117Q65.5Low87Confident68 Ų6867.6 Ų67.632%0.31832%0.32SS..THydrogen-bonded Turntrans-65.4-12.9178.1-57.6-64-63.300113.2L111 L115 F120L111-Q117 PolarHBondContact O-NE2 3.49Å; L115-Q117 PolarHBondContact O-N 2.97Å; L115-Q117 VanDerWaalsContact O-N 3.13Å; L115-Q117 PolarHBondContact O-NE2 3.47Å; Q117-F120 CarbonylContact C-O 3.58Å; Q117-F120 WeakPolarHBondContact CA-O 3.44Å
118R64.2Low87Confident234 Ų23468.2 Ų68.288%0.88333%0.325SS*.THydrogen-bonded Turntrans-76.7-27.2168.7-63.2-172.2178.1-178-0.1112.6N116N116-R118 PolarHBondContact O-N 2.92Å; N116-R118 VanDerWaalsContact O-N 3.14Å; N116-R118 VanDerWaalsContact OD1-CB 3.27Å; N116-R118 WeakPolarHBondContact OD1-CB 3.46Å; N116-R118 PolarHBondContact OD1-N 3.07Å
119S72Confident87Confident27 Ų2771.3 Ų71.319%0.18934%0.336CS..THydrogen-bonded Turntrans-82.3-39.2179.3-178.70000111.9N116 N201 N202N116-S119 WeakPolarHBondContact O-CB 3.49Å; N116-S119 PolarHBondContact O-N 3.31Å; S119-N201 VanDerWaalsContact CB-O 3.28Å; S119-N201 WeakPolarHBondContact CB-O 3.47Å; S119-N201 PolarHBondContact OG-O 3.48Å; S119-N202 WeakPolarHBondContact OG-CB 3.43Å; S119-N202 PolarHBondContact OG-ND2 3.03Å; S119-N202 VanDerWaalsContact OG-ND2 3.12Å
120F80.8Confident87.1Confident64 Ų6472.7 Ų72.728%0.28135%0.346SS..SBendtrans-129.9138.5-177.5-64-79.5000109.9L115 N116 Q117 F124L115-F120 HydrophobicContact CD1-CD2 3.69Å; L115-F120 HydrophobicContact CD1-CE2 3.78Å; L115-F120 HydrophobicContact CD2-CB 4.18Å; L115-F120 HydrophobicContact CD2-CD2 3.7Å; L115-F120 HydrophobicContact CD2-CE2 4.42Å; L115-F120 HydrophobicContact CD2-CG 4.12Å; L115-F120 HydrophobicContact CG-CD2 3.72Å; L115-F120 HydrophobicContact CG-CE2 4.34Å; N116-F120 PolarHBondContact O-N 3.25Å; Q117-F120 CarbonylContact C-O 3.58Å; Q117-F120 WeakPolarHBondContact CA-O 3.44Å; F120-F124 HydrophobicContact CB-CD1 3.94Å; F120-F124 AromaticContact CD1-CD1 3.75Å; F120-F124 HydrophobicContact CD1-CD1 3.75Å; F120-F124 AromaticContact CD1-CE1 3.69Å; F120-F124 HydrophobicContact CD1-CE1 3.69Å; F120-F124 HydrophobicContact CE1-CE1 4.18Å; F120-F124 HydrophobicContact CG-CD1 4.11Å; F120-F124 HydrophobicContact CG-CE1 4.27Å
121S87.4Confident87.2Confident67 Ų6774 Ų7447%0.46936%0.358SS..  trans-61149177.973.40000111.1Q123 F124 T125S121-Q123 PolarHBondContact O-N 3.07Å; S121-F124 PolarHBondContact O-N 3.03Å; S121-F124 VanDerWaalsContact O-N 3.13Å; S121-F124 WeakPolarHBondContact OG-CB 3.45Å; S121-F124 PolarHBondContact OG-N 3.48Å; S121-T125 PolarHBondContact O-N 3.13Å; S121-T125 PolarHBondContact O-OG1 3.45Å; S121-T125 VanDerWaalsContact O-OG1 3.07Å
122R88.6Confident87.4Confident133 Ų13374.1 Ų74.150%0.50236%0.36SS..Hα-helixtrans-56.8-36.7173.8-176.463.6-178.7-162.42.5111.4F112 T126F112-R122 VanDerWaalsContact CD1-NH2 3.3Å; F112-R122 VanDerWaalsContact CE1-CZ 3.42Å; R122-T126 VanDerWaalsContact O-CB 3.3Å; R122-T126 WeakPolarHBondContact O-CB 3.48Å; R122-T126 PolarHBondContact O-N 3.31Å; R122-T126 PolarHBondContact O-OG1 3.39Å
123Q91.7Very high87.7Confident153 Ų15372.9 Ų72.972%0.71536%0.36SS*.Hα-helixtrans-62.5-48.2176.4-173.2178.68.100111.4S121 T125 T126 S127S121-Q123 PolarHBondContact O-N 3.07Å; Q123-T125 PolarHBondContact O-N 3.25Å; Q123-T126 PolarHBondContact O-N 2.92Å; Q123-S127 PolarHBondContact O-N 2.96Å; Q123-S127 PolarHBondContact O-OG 3.42Å; Q123-S127 VanDerWaalsContact O-OG 3.08Å
124F91.2Very high88.1Confident104 Ų10472.6 Ų72.646%0.45637%0.365SS..Hα-helixtrans-59.2-50.1177.6174.9-97.5000111.3F120 S121 T126 S127 V128F120-F124 HydrophobicContact CB-CD1 3.94Å; F120-F124 AromaticContact CD1-CD1 3.75Å; F120-F124 HydrophobicContact CD1-CD1 3.75Å; F120-F124 AromaticContact CD1-CE1 3.69Å; F120-F124 HydrophobicContact CD1-CE1 3.69Å; F120-F124 HydrophobicContact CE1-CE1 4.18Å; F120-F124 HydrophobicContact CG-CD1 4.11Å; F120-F124 HydrophobicContact CG-CE1 4.27Å; S121-F124 PolarHBondContact O-N 3.03Å; S121-F124 VanDerWaalsContact O-N 3.13Å; S121-F124 WeakPolarHBondContact OG-CB 3.45Å; S121-F124 PolarHBondContact OG-N 3.48Å; F124-T126 VanDerWaalsContact C-N 3.27Å; F124-T126 PolarHBondContact O-N 3.46Å; F124-S127 PolarHBondContact O-N 3.33Å; F124-S127 VanDerWaalsContact O-N 3.15Å; F124-V128 HydrophobicContact CD1-CG2 4.26Å; F124-V128 HydrophobicContact CE1-CG2 3.84Å; F124-V128 HydrophobicContact CE2-CG2 4.11Å; F124-V128 HydrophobicContact CZ-CG2 3.76Å; F124-V128 WeakPolarHBondContact O-CG2 2.89Å; F124-V128 PolarHBondContact O-N 3.22Å
125T92.5Very high88.7Confident0 Ų072.7 Ų72.70%037%0.37CS..Hα-helixtrans-56.3-43.1178-550000111.6L111 F112 L115 S121 Q123 V128 Y129L111-T125 HydrophobicContact CB-CG2 3.72Å; L111-T125 WeakPolarHBondContact O-CG2 3.19Å; F112-T125 HydrophobicContact CD1-CG2 3.78Å; F112-T125 HydrophobicContact CE1-CG2 3.81Å; L115-T125 HydrophobicContact CD2-CG2 4.42Å; S121-T125 PolarHBondContact O-N 3.13Å; S121-T125 PolarHBondContact O-OG1 3.45Å; S121-T125 VanDerWaalsContact O-OG1 3.07Å; Q123-T125 PolarHBondContact O-N 3.25Å; T125-V128 PolarHBondContact O-N 2.7Å; T125-Y129 PolarHBondContact O-N 3.04Å; T125-Y129 VanDerWaalsContact O-N 3.07Å
126T95.3Very high89.4Confident46 Ų4671.5 Ų71.528%0.28236%0.364SS..Hα-helixtrans-67.4-42.6178.2-55.70000111.6R122 Q123 F124 V128 Y129 L130R122-T126 VanDerWaalsContact O-CB 3.3Å; R122-T126 WeakPolarHBondContact O-CB 3.48Å; R122-T126 PolarHBondContact O-N 3.31Å; R122-T126 PolarHBondContact O-OG1 3.39Å; Q123-T126 PolarHBondContact O-N 2.92Å; F124-T126 VanDerWaalsContact C-N 3.27Å; F124-T126 PolarHBondContact O-N 3.46Å; T126-V128 PolarHBondContact O-N 3.2Å; T126-Y129 PolarHBondContact O-N 2.88Å; T126-L130 HydrophobicContact CG2-CD1 4.28Å; T126-L130 HydrophobicContact CG2-CG 4.44Å; T126-L130 WeakPolarHBondContact O-CG 3.27Å; T126-L130 PolarHBondContact O-N 3.04Å
127S96.4Very high90.7Very high62 Ų6272.4 Ų72.443%0.43438%0.377SS..Hα-helixtrans-60.8-44.1175.9-63.30000112.2Q123 F124 Y129 L130 V131Q123-S127 PolarHBondContact O-N 2.96Å; Q123-S127 PolarHBondContact O-OG 3.42Å; Q123-S127 VanDerWaalsContact O-OG 3.08Å; F124-S127 PolarHBondContact O-N 3.33Å; F124-S127 VanDerWaalsContact O-N 3.15Å; S127-Y129 VanDerWaalsContact C-N 3.34Å; S127-Y129 PolarHBondContact O-N 2.69Å; S127-L130 PolarHBondContact O-N 3.18Å; S127-V131 WeakPolarHBondContact O-CG2 3.28Å; S127-V131 PolarHBondContact O-N 3Å
128V95.9Very high92.3Very high48 Ų4872.6 Ų72.629%0.29138%0.38SS..Hα-helixtrans-59.8-46.3175.7175.60000110.4L111 F124 T125 T126 L130 V131 C132L111-V128 HydrophobicContact CD1-CB 4.26Å; L111-V128 HydrophobicContact CD1-CG1 3.84Å; L111-V128 HydrophobicContact CD2-CG1 4.36Å; F124-V128 HydrophobicContact CD1-CG2 4.26Å; F124-V128 HydrophobicContact CE1-CG2 3.84Å; F124-V128 HydrophobicContact CE2-CG2 4.11Å; F124-V128 HydrophobicContact CZ-CG2 3.76Å; F124-V128 WeakPolarHBondContact O-CG2 2.89Å; F124-V128 PolarHBondContact O-N 3.22Å; T125-V128 PolarHBondContact O-N 2.7Å; T126-V128 PolarHBondContact O-N 3.2Å; V128-L130 PolarHBondContact O-N 2.99Å; V128-V131 PolarHBondContact O-N 2.92Å; V128-C132 PolarHBondContact O-N 3.43Å; V128-C132 PolarHBondContact O-SG 3.05Å; V128-C132 VanDerWaalsContact O-SG 3.4Å
129Y97.4Very high93.9Very high71 Ų7161.5 Ų61.528%0.27834%0.338SS..Hα-helixtrans-60.7-43.4176.8178.2-108.4000112.7G108 F112 T125 T126 S127 V131 C132 A133G108-Y129 VanDerWaalsContact CA-CD2 3.47Å; G108-Y129 VanDerWaalsContact CA-CE2 3.48Å; F112-Y129 AromaticContact CE2-CD1 3.86Å; F112-Y129 HydrophobicContact CE2-CD1 3.86Å; F112-Y129 HydrophobicContact CE2-CD2 4.25Å; F112-Y129 HydrophobicContact CE2-CE1 4.41Å; F112-Y129 AromaticContact CE2-CG 3.76Å; F112-Y129 HydrophobicContact CE2-CG 3.76Å; F112-Y129 HydrophobicContact CZ-CD1 4.2Å; F112-Y129 HydrophobicContact CZ-CG 4.17Å; T125-Y129 PolarHBondContact O-N 3.04Å; T125-Y129 VanDerWaalsContact O-N 3.07Å; T126-Y129 PolarHBondContact O-N 2.88Å; S127-Y129 VanDerWaalsContact C-N 3.34Å; S127-Y129 PolarHBondContact O-N 2.69Å; Y129-V131 VanDerWaalsContact C-N 3.29Å; Y129-V131 PolarHBondContact O-N 3.4Å; Y129-C132 WeakPolarHBondContact O-CB 3.29Å; Y129-C132 PolarHBondContact O-N 3.24Å; Y129-C132 VanDerWaalsContact O-N 3.17Å; Y129-A133 WeakPolarHBondContact O-CB 3.45Å; Y129-A133 PolarHBondContact O-N 3.43Å
130L98Very high95.2Very high99 Ų9960.6 Ų60.652%0.51833%0.332SS..Hα-helixtrans-62.5-35.8177.4-71.6175.4000112.4T126 S127 V128 A133 S134T126-L130 HydrophobicContact CG2-CD1 4.28Å; T126-L130 HydrophobicContact CG2-CG 4.44Å; T126-L130 WeakPolarHBondContact O-CG 3.27Å; T126-L130 PolarHBondContact O-N 3.04Å; S127-L130 PolarHBondContact O-N 3.18Å; V128-L130 PolarHBondContact O-N 2.99Å; L130-A133 PolarHBondContact O-N 3.34Å; L130-S134 WeakPolarHBondContact O-CB 3.28Å; L130-S134 PolarHBondContact O-N 2.82Å; L130-S134 PolarHBondContact O-OG 2.96Å
131V98.1Very high96Very high86 Ų8663 Ų6352%0.52134%0.34SS..Hα-helixtrans-64.8-47.2173171.20000110.3S127 V128 Y129 A133 S134 I135S127-V131 WeakPolarHBondContact O-CG2 3.28Å; S127-V131 PolarHBondContact O-N 3Å; V128-V131 PolarHBondContact O-N 2.92Å; Y129-V131 VanDerWaalsContact C-N 3.29Å; Y129-V131 PolarHBondContact O-N 3.4Å; V131-A133 VanDerWaalsContact C-N 3.34Å; V131-A133 PolarHBondContact O-N 2.91Å; V131-S134 PolarHBondContact O-N 3.38Å; V131-I135 HydrophobicContact CG1-CD1 3.79Å; V131-I135 HydrophobicContact CG1-CG1 4.45Å; V131-I135 WeakPolarHBondContact O-CB 3.35Å; V131-I135 VanDerWaalsContact O-CG1 3.31Å; V131-I135 WeakPolarHBondContact O-CG1 3.21Å; V131-I135 PolarHBondContact O-N 3.14Å
132C98.1Very high96.5Very high17 Ų1759.8 Ų59.812%0.11532%0.317CS..Hα-helixtrans-59.7-42.6176.4-66.80000112.5F103 V128 Y129 T136F103-C132 HydrophobicContact CE1-CB 3.86Å; F103-C132 HydrophobicContact CZ-CB 4.24Å; V128-C132 PolarHBondContact O-N 3.43Å; V128-C132 PolarHBondContact O-SG 3.05Å; V128-C132 VanDerWaalsContact O-SG 3.4Å; Y129-C132 WeakPolarHBondContact O-CB 3.29Å; Y129-C132 PolarHBondContact O-N 3.24Å; Y129-C132 VanDerWaalsContact O-N 3.17Å; C132-T136 WeakPolarHBondContact O-CB 3.46Å; C132-T136 PolarHBondContact O-N 2.72Å; C132-T136 PolarHBondContact O-OG1 2.96Å
133A98.4Very high97Very high29 Ų2954 Ų5424%0.2430%0.295CS..Hα-helixtrans-65.6-41.3176.600000111.9Y129 L130 V131 T136 A137Y129-A133 WeakPolarHBondContact O-CB 3.45Å; Y129-A133 PolarHBondContact O-N 3.43Å; L130-A133 PolarHBondContact O-N 3.34Å; V131-A133 VanDerWaalsContact C-N 3.34Å; V131-A133 PolarHBondContact O-N 2.91Å; A133-T136 WeakPolarHBondContact O-CB 3.42Å; A133-T136 PolarHBondContact O-N 2.92Å; A133-A137 WeakPolarHBondContact O-CB 3.4Å; A133-A137 PolarHBondContact O-N 3.28Å
134S98.4Very high97.3Very high77 Ų7748.7 Ų48.754%0.53827%0.274SS..Hα-helixtrans-65.4-42.9177.2-58.60000111.9L130 V131 T136 A137 L138L130-S134 WeakPolarHBondContact O-CB 3.28Å; L130-S134 PolarHBondContact O-N 2.82Å; L130-S134 PolarHBondContact O-OG 2.96Å; V131-S134 PolarHBondContact O-N 3.38Å; S134-T136 VanDerWaalsContact C-N 3.32Å; S134-T136 PolarHBondContact O-N 2.81Å; S134-A137 PolarHBondContact O-N 2.9Å; S134-L138 WeakPolarHBondContact O-CB 3.35Å; S134-L138 PolarHBondContact O-N 2.82Å
135I98.2Very high97.6Very high64 Ų6447.5 Ų47.533%0.32827%0.267SS..Hα-helixtrans-62.4-42.8174.7-69.7169.9000110.4V33 M100 V131 A137 L138 V139V33-I135 HydrophobicContact CB-CG2 4.3Å; V33-I135 HydrophobicContact CG1-CG2 3.61Å; V33-I135 HydrophobicContact CG2-CG2 3.97Å; M100-I135 HydrophobicContact CE-CG2 3.99Å; V131-I135 HydrophobicContact CG1-CD1 3.79Å; V131-I135 HydrophobicContact CG1-CG1 4.45Å; V131-I135 WeakPolarHBondContact O-CB 3.35Å; V131-I135 VanDerWaalsContact O-CG1 3.31Å; V131-I135 WeakPolarHBondContact O-CG1 3.21Å; V131-I135 PolarHBondContact O-N 3.14Å; I135-A137 PolarHBondContact O-N 3Å; I135-L138 PolarHBondContact O-N 2.91Å; I135-V139 WeakPolarHBondContact O-CG2 3.49Å; I135-V139 PolarHBondContact O-N 3.23Å
136T98.6Very high97.8Very high11 Ų1147.5 Ų47.57%0.06727%0.267CS..Hα-helixtrans-58.4-47.4174.9-63.40000111.6M100 C104 C132 A133 S134 L138 V139 C140M100-T136 HydrophobicContact CB-CG2 3.75Å; M100-T136 WeakPolarHBondContact CE-OG1 3.39Å; C104-T136 HydrophobicContact CB-CG2 4.1Å; C132-T136 WeakPolarHBondContact O-CB 3.46Å; C132-T136 PolarHBondContact O-N 2.72Å; C132-T136 PolarHBondContact O-OG1 2.96Å; A133-T136 WeakPolarHBondContact O-CB 3.42Å; A133-T136 PolarHBondContact O-N 2.92Å; S134-T136 VanDerWaalsContact C-N 3.32Å; S134-T136 PolarHBondContact O-N 2.81Å; T136-L138 PolarHBondContact O-N 3.27Å; T136-V139 PolarHBondContact O-N 3.06Å; T136-C140 WeakPolarHBondContact O-CB 3.18Å; T136-C140 PolarHBondContact O-N 2.94Å; T136-C140 PolarHBondContact O-SG 3.5Å
137A98.4Very high97.8Very high60 Ų6047.1 Ų47.150%0.49626%0.263SS..Hα-helixtrans-61.4-42.6176.700000111.8A133 S134 I135 C140 Y141A133-A137 WeakPolarHBondContact O-CB 3.4Å; A133-A137 PolarHBondContact O-N 3.28Å; S134-A137 PolarHBondContact O-N 2.9Å; I135-A137 PolarHBondContact O-N 3Å; A137-C140 PolarHBondContact O-N 3.02Å; A137-Y141 VanDerWaalsContact O-CB 3.27Å; A137-Y141 WeakPolarHBondContact O-CB 3.48Å; A137-Y141 PolarHBondContact O-N 3.43Å
138L98.2Very high97.8Very high73 Ų7344.5 Ų44.538%0.38224%0.243SC..Hα-helixtrans-62.9-42.9178.5-17565.8000112.4L27 S134 I135 T136 S142L27-L138 HydrophobicContact CD2-CD1 3.52Å; L27-L138 HydrophobicContact CD2-CG 4.31Å; S134-L138 WeakPolarHBondContact O-CB 3.35Å; S134-L138 PolarHBondContact O-N 2.82Å; I135-L138 PolarHBondContact O-N 2.91Å; T136-L138 PolarHBondContact O-N 3.27Å; L138-S142 WeakPolarHBondContact O-CB 3.47Å; L138-S142 PolarHBondContact O-N 3.25Å
139V98.6Very high97.9Very high0 Ų042.4 Ų42.40%023%0.231CC..Hα-helixtrans-65.5-41174.8175.30000110.9S30 V33 P34 H96 M100 I135 T136 S142 R143S30-V139 WeakPolarHBondContact O-CG2 3.34Å; V33-V139 HydrophobicContact CB-CG2 3.84Å; V33-V139 HydrophobicContact CG1-CG2 4.29Å; V33-V139 HydrophobicContact CG2-CG2 4.22Å; P34-V139 HydrophobicContact CG-CG1 4.38Å; H96-V139 HydrophobicContact CB-CG1 4.07Å; M100-V139 HydrophobicContact CE-CG2 4.21Å; M100-V139 HydrophobicContact CG-CB 3.96Å; M100-V139 HydrophobicContact CG-CG1 3.68Å; M100-V139 HydrophobicContact CG-CG2 4.28Å; M100-V139 HydrophobicContact SD-CG2 4.37Å; I135-V139 WeakPolarHBondContact O-CG2 3.49Å; I135-V139 PolarHBondContact O-N 3.23Å; T136-V139 PolarHBondContact O-N 3.06Å; V139-S142 PolarHBondContact O-N 3.19Å; V139-S142 PolarHBondContact O-OG 3.09Å; V139-R143 WeakPolarHBondContact O-CG 3.39Å; V139-R143 PolarHBondContact O-N 3.41Å
140C98.6Very high98Very high8 Ų841.3 Ų41.35%0.05423%0.231CC..Hα-helixtrans-66.7-43.1178.7-69.10000111.4T136 A137 R143 V154 I158T136-C140 WeakPolarHBondContact O-CB 3.18Å; T136-C140 PolarHBondContact O-N 2.94Å; T136-C140 PolarHBondContact O-SG 3.5Å; A137-C140 PolarHBondContact O-N 3.02Å; C140-R143 PolarHBondContact O-N 3.4Å; C140-V154 HydrophobicContact CB-CG1 3.65Å; C140-I158 HydrophobicContact CB-CD1 4.1Å
141Y98.5Very high98Very high114 Ų11440.1 Ų40.145%0.44723%0.231SC..Hα-helixtrans-63.3-40.2176.3-178.3-104.8000111.9F23 L27 A137 R143 V144 Y145F23-Y141 AromaticContact CE1-CE1 3.79Å; F23-Y141 HydrophobicContact CE1-CE1 3.79Å; F23-Y141 AromaticContact CZ-CE1 3.81Å; F23-Y141 HydrophobicContact CZ-CE1 3.81Å; L27-Y141 HydrophobicContact CD1-CD1 4.01Å; L27-Y141 HydrophobicContact CD1-CE1 3.88Å; L27-Y141 HydrophobicContact CD2-CD1 4.06Å; A137-Y141 VanDerWaalsContact O-CB 3.27Å; A137-Y141 WeakPolarHBondContact O-CB 3.48Å; A137-Y141 PolarHBondContact O-N 3.43Å; Y141-R143 PolarHBondContact O-N 3.32Å; Y141-V144 PolarHBondContact O-N 2.94Å; Y141-V144 VanDerWaalsContact O-N 3.1Å; Y141-Y145 AromaticContact CE1-CD2 3.96Å; Y141-Y145 HydrophobicContact CE1-CD2 3.96Å; Y141-Y145 HydrophobicContact CE1-CG 4.25Å; Y141-Y145 AromaticContact CZ-CD2 3.85Å; Y141-Y145 WeakPolarHBondContact O-CB 3.42Å; Y141-Y145 PolarHBondContact O-N 3.24Å; Y141-Y145 WeakPolarHBondContact OH-CD2 3.44Å
142S98.3Very high98Very high0 Ų040.3 Ų40.30%023%0.232CC..Hα-helixtrans-58.3-36.4177.275.80000112.3L27 S31 L138 V139 V144 L146L27-S142 VanDerWaalsContact O-CB 3.29Å; L27-S142 WeakPolarHBondContact O-CB 3.22Å; S31-S142 WeakPolarHBondContact OG-CB 3.14Å; S31-S142 PolarHBondContact OG-OG 2.8Å; L138-S142 WeakPolarHBondContact O-CB 3.47Å; L138-S142 PolarHBondContact O-N 3.25Å; V139-S142 PolarHBondContact O-N 3.19Å; V139-S142 PolarHBondContact O-OG 3.09Å; S142-V144 VanDerWaalsContact C-N 3.3Å; S142-V144 PolarHBondContact O-N 2.89Å; S142-L146 WeakPolarHBondContact O-CB 3.25Å; S142-L146 WeakPolarHBondContact O-CG 3.48Å; S142-L146 PolarHBondContact O-N 2.85Å
143R97.9Very high98Very high11 Ų1139.6 Ų39.64%0.04223%0.227CC..Hα-helixtrans-66.4-32.2179.3-56.9-39.8-67.3164.6-0.9113.1H96 V139 C140 Y141 Y148 H149 V154H96-R143 HydrophobicContact CB-CG 3.99Å; V139-R143 WeakPolarHBondContact O-CG 3.39Å; V139-R143 PolarHBondContact O-N 3.41Å; C140-R143 PolarHBondContact O-N 3.4Å; Y141-R143 PolarHBondContact O-N 3.32Å; R143-Y148 VanDerWaalsContact NH2-CD1 3.29Å; R143-Y148 PolarHBondContact O-N 2.85Å; R143-Y148 VanDerWaalsContact O-N 3.1Å; R143-H149 HydrophobicContact CB-CB 4.32Å; R143-H149 PolarHBondContact O-N 3.45Å; R143-V154 HydrophobicContact CB-CG2 4Å
144V98.1Very high98Very high42 Ų4238.6 Ų38.626%0.25522%0.218SC..Hα-helixtrans-81.7-48.7177.3-1770000110.4Y141 S142 L146 L147 V154Y141-V144 PolarHBondContact O-N 2.94Å; Y141-V144 VanDerWaalsContact O-N 3.1Å; S142-V144 VanDerWaalsContact C-N 3.3Å; S142-V144 PolarHBondContact O-N 2.89Å; V144-L146 VanDerWaalsContact C-N 3.34Å; V144-L146 PolarHBondContact O-N 2.86Å; V144-L147 PolarHBondContact O-N 3.4Å; V144-V154 HydrophobicContact CG2-CB 4.27Å; V144-V154 HydrophobicContact CG2-CG2 3.74Å
145Y97.5Very high98Very high79 Ų7938.8 Ų38.831%0.3122%0.216SC..Hα-helixtrans-61.2-43-178.1-172.8-85.2000112.2D21 F23 L27 Y141 L147D21-Y145 WeakPolarHBondContact OD2-CE1 3.3Å; D21-Y145 PolarHBondContact OD2-OH 2.95Å; F23-Y145 HydrophobicContact CD1-CD2 4.44Å; F23-Y145 AromaticContact CD1-CE1 3.99Å; F23-Y145 HydrophobicContact CD1-CE1 3.99Å; F23-Y145 AromaticContact CD1-CE2 3.84Å; F23-Y145 HydrophobicContact CD1-CE2 3.84Å; F23-Y145 AromaticContact CD1-CZ 3.59Å; F23-Y145 HydrophobicContact CE1-CD2 4.05Å; F23-Y145 HydrophobicContact CE1-CE1 4.46Å; F23-Y145 AromaticContact CE1-CE2 3.79Å; F23-Y145 HydrophobicContact CE1-CE2 3.79Å; F23-Y145 HydrophobicContact CE1-CG 4.48Å; L27-Y145 HydrophobicContact CD1-CD1 3.44Å; L27-Y145 VanDerWaalsContact CD1-CD1 3.44Å; L27-Y145 HydrophobicContact CD1-CD2 4.21Å; L27-Y145 HydrophobicContact CD1-CE1 4.13Å; L27-Y145 HydrophobicContact CD1-CG 3.49Å; L27-Y145 VanDerWaalsContact CD1-CG 3.49Å; Y141-Y145 AromaticContact CE1-CD2 3.96Å; Y141-Y145 HydrophobicContact CE1-CD2 3.96Å; Y141-Y145 HydrophobicContact CE1-CG 4.25Å; Y141-Y145 AromaticContact CZ-CD2 3.85Å; Y141-Y145 WeakPolarHBondContact O-CB 3.42Å; Y141-Y145 PolarHBondContact O-N 3.24Å; Y141-Y145 WeakPolarHBondContact OH-CD2 3.44Å; Y145-L147 PolarHBondContact O-N 2.96Å
146L96.6Very high98.1Very high0 Ų037.7 Ų37.70%021%0.212CC..THydrogen-bonded Turntrans-81.912.4176.5-60.8173000112.8W7 V15 L27 A28 H84 S142 V144 Y148W7-L146 HydrophobicContact CZ3-CD2 4.43Å; V15-L146 HydrophobicContact CG1-CD1 4.37Å; L27-L146 HydrophobicContact CB-CD1 4.21Å; L27-L146 HydrophobicContact CB-CG 4.38Å; A28-L146 HydrophobicContact CB-CD1 4.15Å; H84-L146 PolarHBondContact NE2-O 2.94Å; S142-L146 WeakPolarHBondContact O-CB 3.25Å; S142-L146 WeakPolarHBondContact O-CG 3.48Å; S142-L146 PolarHBondContact O-N 2.85Å; V144-L146 VanDerWaalsContact C-N 3.34Å; V144-L146 PolarHBondContact O-N 2.86Å; L146-Y148 HydrophobicContact CB-CD2 3.66Å; L146-Y148 HydrophobicContact CB-CE2 3.84Å; L146-Y148 HydrophobicContact CD1-CE2 4.35Å; L146-Y148 WeakPolarHBondContact O-CD2 3.4Å; L146-Y148 PolarHBondContact O-N 3.42Å
147L96.1Very high98.1Very high38 Ų3837.1 Ų37.120%0.19921%0.209CC..THydrogen-bonded Turntrans62.915.3169.7-52.5-178.5000115.8A2 W7 F80 I83 V144 Y145A2-L147 HydrophobicContact CB-CD1 3.67Å; W7-L147 HydrophobicContact CH2-CB 4.39Å; W7-L147 HydrophobicContact CH2-CD1 4.06Å; W7-L147 HydrophobicContact CH2-CG 4.23Å; W7-L147 HydrophobicContact CZ2-CD1 3.89Å; F80-L147 HydrophobicContact CD2-CB 3.69Å; F80-L147 HydrophobicContact CD2-CD1 4.41Å; F80-L147 HydrophobicContact CD2-CD2 4.14Å; F80-L147 HydrophobicContact CD2-CG 4.29Å; F80-L147 HydrophobicContact CE2-CB 4.22Å; F80-L147 HydrophobicContact CE2-CD2 3.77Å; F80-L147 HydrophobicContact CE2-CG 4.4Å; F80-L147 HydrophobicContact CG-CB 4.43Å; I83-L147 HydrophobicContact CD1-CB 4.25Å; I83-L147 HydrophobicContact CD1-CD1 3.43Å; I83-L147 VanDerWaalsContact CD1-CD1 3.43Å; I83-L147 HydrophobicContact CD1-CG 4.49Å; V144-L147 PolarHBondContact O-N 3.4Å; Y145-L147 PolarHBondContact O-N 2.96Å
148Y96.7Very high98.1Very high7 Ų737.2 Ų37.23%0.02720%0.201CC..SBendtrans-72.3-30.1175.8-77.8-75.7000113.7V15 E16 R78 H84 I87 R143 L146V15-Y148 HydrophobicContact CG1-CE2 4.02Å; E16-Y148 PolarHBondContact N-OH 3.39Å; R78-Y148 PolarHBondContact NH1-O 3.5Å; H84-Y148 HydrophobicContact CB-CE1 4.18Å; H84-Y148 AromaticContact CD2-CD1 3.55Å; H84-Y148 AromaticContact CD2-CE1 3.56Å; H84-Y148 AromaticContact CE1-CE1 3.65Å; H84-Y148 AromaticContact CE1-CE2 3.85Å; H84-Y148 AromaticContact CE1-CZ 3.42Å; H84-Y148 VanDerWaalsContact CE1-CZ 3.42Å; H84-Y148 AromaticContact CG-CD1 3.92Å; H84-Y148 AromaticContact CG-CE1 3.5Å; H84-Y148 AromaticContact ND1-CE1 3.57Å; H84-Y148 AromaticContact ND1-CZ 3.67Å; H84-Y148 AromaticContact NE2-CD1 3.77Å; H84-Y148 AromaticContact NE2-CD2 3.95Å; H84-Y148 AromaticContact NE2-CE1 3.64Å; H84-Y148 AromaticContact NE2-CE2 3.86Å; H84-Y148 AromaticContact NE2-CG 3.91Å; H84-Y148 AromaticContact NE2-CZ 3.69Å; I87-Y148 HydrophobicContact CD1-CD1 3.7Å; I87-Y148 HydrophobicContact CD1-CE1 3.38Å; R143-Y148 VanDerWaalsContact NH2-CD1 3.29Å; R143-Y148 PolarHBondContact O-N 2.85Å; R143-Y148 VanDerWaalsContact O-N 3.1Å; L146-Y148 HydrophobicContact CB-CD2 3.66Å; L146-Y148 HydrophobicContact CB-CE2 3.84Å; L146-Y148 HydrophobicContact CD1-CE2 4.35Å; L146-Y148 WeakPolarHBondContact O-CD2 3.4Å; L146-Y148 PolarHBondContact O-N 3.42Å
149H97.8Very high98.1Very high5 Ų539 Ų392%0.02321%0.208CC..SBendtrans-147.2154.1-174.6-70.1-74.4000111.7R78 G91 R143 Q153 V154R78-H149 PolarHBondContact NH1-CE1 2.9Å; R78-H149 VanDerWaalsContact NH1-CE1 3.26Å; R78-H149 PolarHBondContact NH1-NE2 3.17Å; G91-H149 PolarHBondContact O-CE1 3.09Å; G91-H149 PolarHBondContact O-ND1 3.42Å; R143-H149 HydrophobicContact CB-CB 4.32Å; R143-H149 PolarHBondContact O-N 3.45Å; H149-Q153 VanDerWaalsContact CA-OE1 3.27Å; H149-Q153 HydrophobicContact CB-CB 4.15Å; H149-Q153 PolarHBondContact ND1-OE1 3.28Å; H149-V154 HydrophobicContact CB-CG2 3.94Å
150T98.1Very high98.1Very high48 Ų4841 Ų4129%0.29422%0.218SC..  trans-78.4160.6168.465.40000111.2P79 T152 Q153 V154P79-T150 HydrophobicContact CB-CG2 3.64Å; P79-T150 HydrophobicContact CG-CG2 3.9Å; T150-T152 PolarHBondContact O-N 3.38Å; T150-Q153 VanDerWaalsContact N-OE1 3.11Å; T150-Q153 WeakPolarHBondContact O-CB 3.42Å; T150-Q153 PolarHBondContact O-N 3.47Å; T150-Q153 VanDerWaalsContact O-N 3.11Å; T150-Q153 VanDerWaalsContact OG1-CG 3.3Å; T150-Q153 WeakPolarHBondContact OG1-CG 3.44Å; T150-Q153 PolarHBondContact OG1-N 3.27Å; T150-V154 PolarHBondContact O-N 3.03Å; T150-V154 VanDerWaalsContact O-N 3.09Å
151S98.3Very high98.1Very high73 Ų7340.6 Ų40.651%0.5122%0.216SC..Hα-helixtrans-55.1-39.7172.9-52.90000112V154 V155S151-V154 PolarHBondContact O-N 3.24Å; S151-V155 VanDerWaalsContact O-CG2 3.32Å; S151-V155 WeakPolarHBondContact O-CG2 3.33Å; S151-V155 PolarHBondContact O-N 3.02Å
152T98.4Very high98.1Very high90 Ų9035.8 Ų35.855%0.55220%0.201SC*.Hα-helixtrans-62.4-43.7176.4-49.20000112.3T150 V154 V155 V156T150-T152 PolarHBondContact O-N 3.38Å; T152-V154 VanDerWaalsContact C-N 3.26Å; T152-V154 PolarHBondContact O-N 3.49Å; T152-V155 PolarHBondContact O-N 2.86Å; T152-V156 WeakPolarHBondContact O-CG2 3.36Å; T152-V156 PolarHBondContact O-N 3.15Å
153Q98.5Very high98.2Very high2 Ų240 Ų401%0.00922%0.222CC..Hα-helixtrans-62.8-35.3177.2-73.8173.4-11.800112.4Q76 P77 G91 M92 S94 H149 T150 G157Q76-Q153 VanDerWaalsContact OE1-CG 3.26Å; P77-Q153 PolarHBondContact O-NE2 3.3Å; G91-Q153 PolarHBondContact O-OE1 3.34Å; M92-Q153 HydrophobicContact CB-CG 4.03Å; M92-Q153 HydrophobicContact CG-CG 4.35Å; S94-Q153 PolarHBondContact N-O 2.82Å; S94-Q153 VanDerWaalsContact N-O 3.09Å; H149-Q153 VanDerWaalsContact CA-OE1 3.27Å; H149-Q153 HydrophobicContact CB-CB 4.15Å; H149-Q153 PolarHBondContact ND1-OE1 3.28Å; T150-Q153 VanDerWaalsContact N-OE1 3.11Å; T150-Q153 WeakPolarHBondContact O-CB 3.42Å; T150-Q153 PolarHBondContact O-N 3.47Å; T150-Q153 VanDerWaalsContact O-N 3.11Å; T150-Q153 VanDerWaalsContact OG1-CG 3.3Å; T150-Q153 WeakPolarHBondContact OG1-CG 3.44Å; T150-Q153 PolarHBondContact OG1-N 3.27Å; Q153-G157 PolarHBondContact O-N 2.78Å
154V98.7Very high98.2Very high8 Ų841.1 Ų41.15%0.04823%0.232CC..Hα-helixtrans-71.5-49.9175.7170.30000111A97 C140 R143 V144 H149 T150 S151 T152 V156 G157 I158A97-V154 HydrophobicContact CB-CB 4.31Å; A97-V154 HydrophobicContact CB-CG1 3.9Å; A97-V154 HydrophobicContact CB-CG2 4.5Å; A97-V154 WeakPolarHBondContact CB-O 3.41Å; C140-V154 HydrophobicContact CB-CG1 3.65Å; R143-V154 HydrophobicContact CB-CG2 4Å; V144-V154 HydrophobicContact CG2-CB 4.27Å; V144-V154 HydrophobicContact CG2-CG2 3.74Å; H149-V154 HydrophobicContact CB-CG2 3.94Å; T150-V154 PolarHBondContact O-N 3.03Å; T150-V154 VanDerWaalsContact O-N 3.09Å; S151-V154 PolarHBondContact O-N 3.24Å; T152-V154 VanDerWaalsContact C-N 3.26Å; T152-V154 PolarHBondContact O-N 3.49Å; V154-V156 PolarHBondContact O-N 2.94Å; V154-G157 WeakPolarHBondContact O-CA 3.49Å; V154-G157 PolarHBondContact O-N 2.87Å; V154-G157 VanDerWaalsContact O-N 3.09Å; V154-I158 HydrophobicContact CG1-CD1 3.99Å; V154-I158 HydrophobicContact CG1-CG1 4.45Å; V154-I158 WeakPolarHBondContact O-CG1 3.42Å; V154-I158 PolarHBondContact O-N 2.79Å
155V98.6Very high98.2Very high82 Ų8239.1 Ų39.150%0.49722%0.22SC..Hα-helixtrans-58.1-46.6179.1168.80000111.3S151 T152 G157 I158 M159S151-V155 VanDerWaalsContact O-CG2 3.32Å; S151-V155 WeakPolarHBondContact O-CG2 3.33Å; S151-V155 PolarHBondContact O-N 3.02Å; T152-V155 PolarHBondContact O-N 2.86Å; V155-G157 VanDerWaalsContact C-N 3.3Å; V155-G157 PolarHBondContact O-N 3.29Å; V155-I158 PolarHBondContact O-N 3.47Å; V155-M159 HydrophobicContact CG1-CG 4.43Å; V155-M159 WeakPolarHBondContact O-CG 3.49Å; V155-M159 PolarHBondContact O-N 3.48Å
156V98.6Very high98.3Very high40 Ų4038.2 Ų38.224%0.24222%0.22CC..Hα-helixtrans-63.9-38.2177.2174.10000111.4M92 P93 T152 V154 M159 I160M92-V156 HydrophobicContact CE-CB 3.79Å; M92-V156 HydrophobicContact CE-CG1 3.64Å; M92-V156 HydrophobicContact CE-CG2 3.59Å; P93-V156 HydrophobicContact CB-CG1 4.36Å; T152-V156 WeakPolarHBondContact O-CG2 3.36Å; T152-V156 PolarHBondContact O-N 3.15Å; V154-V156 PolarHBondContact O-N 2.94Å; V156-M159 PolarHBondContact O-N 3.08Å; V156-I160 HydrophobicContact CG1-CD1 3.62Å; V156-I160 HydrophobicContact CG1-CG1 4.23Å; V156-I160 VanDerWaalsContact O-CG1 3.29Å; V156-I160 WeakPolarHBondContact O-CG1 3.29Å; V156-I160 PolarHBondContact O-N 2.88Å
157G98.8Very high98.4Very high0 Ų042.6 Ų42.60%024%0.242CC..Hα-helixtrans-56.7-54.2171.300000112.1Q98 Q153 V154 V155 M159 I160 G161Q98-G157 WeakPolarHBondContact CA-O 3.46Å; Q98-G157 WeakPolarHBondContact CB-O 3.35Å; Q153-G157 PolarHBondContact O-N 2.78Å; V154-G157 WeakPolarHBondContact O-CA 3.49Å; V154-G157 PolarHBondContact O-N 2.87Å; V154-G157 VanDerWaalsContact O-N 3.09Å; V155-G157 VanDerWaalsContact C-N 3.3Å; V155-G157 PolarHBondContact O-N 3.29Å; G157-M159 VanDerWaalsContact C-N 3.29Å; G157-M159 PolarHBondContact O-N 3Å; G157-I160 PolarHBondContact O-N 3.18Å; G157-G161 PolarHBondContact O-N 2.97Å
158I98.7Very high98.5Very high62 Ų6242.9 Ų42.932%0.31824%0.241SC..Hα-helixtrans-55.2-45.5178.6-63.8169000110.9A97 C140 V154 V155 G161 G162A97-I158 HydrophobicContact CB-CG1 4.09Å; C140-I158 HydrophobicContact CB-CD1 4.1Å; V154-I158 HydrophobicContact CG1-CD1 3.99Å; V154-I158 HydrophobicContact CG1-CG1 4.45Å; V154-I158 WeakPolarHBondContact O-CG1 3.42Å; V154-I158 PolarHBondContact O-N 2.79Å; V155-I158 PolarHBondContact O-N 3.47Å; I158-G161 PolarHBondContact O-N 3.45Å; I158-G162 PolarHBondContact O-N 3.35Å
159M98.7Very high98.6Very high111 Ų11142.6 Ų42.655%0.54724%0.239SC..Hα-helixtrans-63.3-49.6-179-70.7-60.7-6500112.1V155 V156 G157 G161 G162 I163V155-M159 HydrophobicContact CG1-CG 4.43Å; V155-M159 WeakPolarHBondContact O-CG 3.49Å; V155-M159 PolarHBondContact O-N 3.48Å; V156-M159 PolarHBondContact O-N 3.08Å; G157-M159 VanDerWaalsContact C-N 3.29Å; G157-M159 PolarHBondContact O-N 3Å; M159-G161 VanDerWaalsContact C-N 3.33Å; M159-G161 PolarHBondContact O-N 3.27Å; M159-G162 PolarHBondContact O-N 3.15Å; M159-I163 WeakPolarHBondContact O-CB 3.36Å; M159-I163 VanDerWaalsContact O-CG1 3.24Å; M159-I163 WeakPolarHBondContact O-CG1 3.34Å; M159-I163 PolarHBondContact O-N 2.86Å
160I98.8Very high98.6Very high40 Ų4045.5 Ų45.521%0.20526%0.255CS..Hα-helixtrans-62.3-45179-67.3173.1000110.3L70 P93 Q98 V156 G157 S164L70-I160 HydrophobicContact CD1-CD1 3.9Å; L70-I160 HydrophobicContact CD1-CG2 3.9Å; P93-I160 HydrophobicContact CB-CD1 4.25Å; P93-I160 HydrophobicContact CG-CD1 4.04Å; Q98-I160 HydrophobicContact CG-CB 4.39Å; Q98-I160 HydrophobicContact CG-CG2 4.14Å; V156-I160 HydrophobicContact CG1-CD1 3.62Å; V156-I160 HydrophobicContact CG1-CG1 4.23Å; V156-I160 VanDerWaalsContact O-CG1 3.29Å; V156-I160 WeakPolarHBondContact O-CG1 3.29Å; V156-I160 PolarHBondContact O-N 2.88Å; G157-I160 PolarHBondContact O-N 3.18Å; I160-S164 VanDerWaalsContact O-CB 3.27Å; I160-S164 WeakPolarHBondContact O-CB 3.36Å; I160-S164 PolarHBondContact O-N 3.19Å; I160-S164 PolarHBondContact O-OG 3.5Å
161G98.9Very high98.6Very high0 Ų046.4 Ų46.40%026%0.257CS..Hα-helixtrans-62.6-48.7178.700000112Q98 F102 G157 I158 M159 S164 G165Q98-G161 VanDerWaalsContact O-CA 3.22Å; Q98-G161 WeakPolarHBondContact O-CA 3.38Å; F102-G161 WeakPolarHBondContact CA-O 3.37Å; F102-G161 WeakPolarHBondContact CB-O 3.48Å; F102-G161 VanDerWaalsContact N-C 3.32Å; F102-G161 PolarHBondContact N-O 3.05Å; G157-G161 PolarHBondContact O-N 2.97Å; I158-G161 PolarHBondContact O-N 3.45Å; M159-G161 VanDerWaalsContact C-N 3.33Å; M159-G161 PolarHBondContact O-N 3.27Å; G161-S164 PolarHBondContact O-N 3.08Å; G161-G165 PolarHBondContact O-N 3.2Å
162G98.8Very high98.6Very high13 Ų1343 Ų4313%0.13423%0.233CC..Hα-helixtrans-61.4-47.7179.900000112.3G101 A105 I158 M159 S164 G165 I166G101-G162 WeakPolarHBondContact O-CA 3.49Å; A105-G162 WeakPolarHBondContact CB-O 2.89Å; I158-G162 PolarHBondContact O-N 3.35Å; M159-G162 PolarHBondContact O-N 3.15Å; G162-S164 PolarHBondContact O-N 2.85Å; G162-G165 PolarHBondContact O-N 3.46Å; G162-I166 VanDerWaalsContact O-CG1 3.28Å; G162-I166 WeakPolarHBondContact O-CG1 3.19Å; G162-I166 PolarHBondContact O-N 3.38Å
163I98.8Very high98.5Very high89 Ų8940.4 Ų40.446%0.45622%0.215SC..Hα-helixtrans-60.2-46.7175.6-68.1167000110.4M159 G165 I166 I167M159-I163 WeakPolarHBondContact O-CB 3.36Å; M159-I163 VanDerWaalsContact O-CG1 3.24Å; M159-I163 WeakPolarHBondContact O-CG1 3.34Å; M159-I163 PolarHBondContact O-N 2.86Å; I163-G165 VanDerWaalsContact C-N 3.32Å; I163-G165 PolarHBondContact O-N 3.3Å; I163-I166 PolarHBondContact O-N 2.77Å; I163-I167 HydrophobicContact CG2-CD1 3.69Å; I163-I167 HydrophobicContact CG2-CG1 4.42Å; I163-I167 VanDerWaalsContact O-CG1 3.32Å; I163-I167 WeakPolarHBondContact O-CG1 3.37Å; I163-I167 PolarHBondContact O-N 3.09Å
164S98.8Very high98.5Very high34 Ų3447.7 Ų47.724%0.23824%0.243CC..Hα-helixtrans-62-39.7178.4-57.30000111.9I160 G161 G162 W168I160-S164 VanDerWaalsContact O-CB 3.27Å; I160-S164 WeakPolarHBondContact O-CB 3.36Å; I160-S164 PolarHBondContact O-N 3.19Å; I160-S164 PolarHBondContact O-OG 3.5Å; G161-S164 PolarHBondContact O-N 3.08Å; G162-S164 PolarHBondContact O-N 2.85Å; S164-W168 WeakPolarHBondContact O-CB 3.3Å; S164-W168 PolarHBondContact O-N 3.21Å
165G98.8Very high98.4Very high0 Ų050.2 Ų50.20%027%0.265CS..Hα-helixtrans-65.4-42.4177.200000112.9G161 G162 I163 F169G161-G165 PolarHBondContact O-N 3.2Å; G162-G165 PolarHBondContact O-N 3.46Å; I163-G165 VanDerWaalsContact C-N 3.32Å; I163-G165 PolarHBondContact O-N 3.3Å; G165-F169 WeakPolarHBondContact O-CB 3.22Å; G165-F169 PolarHBondContact O-N 3.09Å
166I98.6Very high98.4Very high60 Ų6047.3 Ų47.331%0.30825%0.246SC..Hα-helixtrans-62.7-52.5174.7-65.4167.1000110A105 F109 G162 I163 W168 F169 L170A105-I166 HydrophobicContact CB-CG1 4.05Å; F109-I166 HydrophobicContact CD2-CG1 4.34Å; F109-I166 HydrophobicContact CE1-CG2 4.27Å; F109-I166 HydrophobicContact CE2-CD1 4.23Å; F109-I166 HydrophobicContact CE2-CG1 3.75Å; F109-I166 HydrophobicContact CE2-CG2 4.46Å; F109-I166 HydrophobicContact CZ-CD1 4.47Å; F109-I166 HydrophobicContact CZ-CG1 4.1Å; F109-I166 HydrophobicContact CZ-CG2 3.99Å; G162-I166 VanDerWaalsContact O-CG1 3.28Å; G162-I166 WeakPolarHBondContact O-CG1 3.19Å; G162-I166 PolarHBondContact O-N 3.38Å; I163-I166 PolarHBondContact O-N 2.77Å; I166-W168 VanDerWaalsContact C-N 3.31Å; I166-W168 PolarHBondContact O-N 3.41Å; I166-F169 PolarHBondContact O-N 2.96Å; I166-L170 HydrophobicContact CG2-CD1 4.01Å; I166-L170 HydrophobicContact CG2-CG 4.46Å; I166-L170 VanDerWaalsContact O-CG 3.31Å; I166-L170 WeakPolarHBondContact O-CG 3.45Å; I166-L170 PolarHBondContact O-N 3.39Å
167I98.7Very high98.3Very high93 Ų9346 Ų4648%0.47724%0.239SC..Hα-helixtrans-57.9-47-179.4-69.2169.9000110.3I163 L170 I171I163-I167 HydrophobicContact CG2-CD1 3.69Å; I163-I167 HydrophobicContact CG2-CG1 4.42Å; I163-I167 VanDerWaalsContact O-CG1 3.32Å; I163-I167 WeakPolarHBondContact O-CG1 3.37Å; I163-I167 PolarHBondContact O-N 3.09Å; I167-L170 PolarHBondContact O-N 3.26Å; I167-I171 HydrophobicContact CG2-CD1 3.77Å; I167-I171 WeakPolarHBondContact O-CG1 3.43Å; I167-I171 PolarHBondContact O-N 3.11Å
168W98.8Very high98.2Very high44 Ų4450.3 Ų50.317%0.16727%0.266CS..Hα-helixtrans-64.8-42.8-179.5-169.3-106.2000112.1F55 C58 G59 I62 F102 Y106 S164 I166 L170 I171 V172F55-W168 PolarHBondContact O-NE1 3.16Å; C58-W168 HydrophobicContact CB-CZ2 4.16Å; G59-W168 VanDerWaalsContact CA-CE2 3.45Å; I62-W168 HydrophobicContact CD1-CE3 4.27Å; I62-W168 HydrophobicContact CD1-CH2 3.34Å; I62-W168 HydrophobicContact CD1-CZ2 3.97Å; I62-W168 HydrophobicContact CD1-CZ3 3.51Å; F102-W168 HydrophobicContact CE2-CB 3.92Å; F102-W168 HydrophobicContact CE2-CG 4.3Å; F102-W168 HydrophobicContact CZ-CB 4.14Å; F102-W168 AromaticContact CZ-CD1 3.82Å; F102-W168 HydrophobicContact CZ-CG 4.14Å; Y106-W168 AromaticContact CE2-CD1 3.65Å; S164-W168 WeakPolarHBondContact O-CB 3.3Å; S164-W168 PolarHBondContact O-N 3.21Å; I166-W168 VanDerWaalsContact C-N 3.31Å; I166-W168 PolarHBondContact O-N 3.41Å; W168-L170 VanDerWaalsContact C-N 3.33Å; W168-L170 PolarHBondContact O-N 3.48Å; W168-I171 HydrophobicContact CE3-CD1 4.43Å; W168-I171 PolarHBondContact O-N 2.82Å; W168-V172 HydrophobicContact CD2-CG2 4.47Å; W168-V172 HydrophobicContact CG-CG2 4.44Å; W168-V172 HydrophobicContact CZ2-CG2 4.49Å; W168-V172 VanDerWaalsContact O-CG2 3.31Å; W168-V172 WeakPolarHBondContact O-CG2 3.38Å; W168-V172 PolarHBondContact O-N 3.38Å
169F98.5Very high98.2Very high0 Ų050.1 Ų50.10%027%0.265CS..Hα-helixtrans-57.3-46.5174.1178.2-89.2000111.4Y106 F109 F110 I113 G165 I166 I171 V172 H173Y106-F169 HydrophobicContact CD1-CD2 4.41Å; Y106-F169 HydrophobicContact CD2-CB 3.69Å; Y106-F169 HydrophobicContact CD2-CD2 4.26Å; Y106-F169 HydrophobicContact CE1-CD2 4.24Å; Y106-F169 HydrophobicContact CE2-CB 3.85Å; Y106-F169 HydrophobicContact CE2-CD2 4.07Å; Y106-F169 HydrophobicContact CE2-CG 4.47Å; Y106-F169 HydrophobicContact CG-CB 4.38Å; Y106-F169 HydrophobicContact CG-CD2 4.44Å; F109-F169 HydrophobicContact CB-CB 4.32Å; F109-F169 HydrophobicContact CB-CD1 3.5Å; F109-F169 VanDerWaalsContact CB-CD1 3.5Å; F109-F169 HydrophobicContact CB-CD2 3.89Å; F109-F169 HydrophobicContact CB-CE1 3.71Å; F109-F169 HydrophobicContact CB-CE2 4.08Å; F109-F169 HydrophobicContact CB-CG 3.59Å; F109-F169 HydrophobicContact CB-CZ 3.99Å; F109-F169 AromaticContact CD1-CD1 3.76Å; F109-F169 HydrophobicContact CD1-CD1 3.76Å; F109-F169 HydrophobicContact CD1-CE1 4.08Å; F109-F169 HydrophobicContact CG-CD1 4.02Å; F109-F169 HydrophobicContact CG-CE1 4.4Å; F109-F169 HydrophobicContact CG-CG 4.37Å; F110-F169 VanDerWaalsContact CA-CE2 3.48Å; F110-F169 HydrophobicContact CB-CD2 4.43Å; F110-F169 HydrophobicContact CB-CE2 3.93Å; F110-F169 HydrophobicContact CD2-CE2 4.38Å; I113-F169 HydrophobicContact CB-CE1 4.33Å; I113-F169 HydrophobicContact CB-CZ 4.16Å; I113-F169 HydrophobicContact CD1-CE1 3.9Å; I113-F169 HydrophobicContact CG2-CE1 4.45Å; I113-F169 HydrophobicContact CG2-CZ 4.42Å; G165-F169 WeakPolarHBondContact O-CB 3.22Å; G165-F169 PolarHBondContact O-N 3.09Å; I166-F169 PolarHBondContact O-N 2.96Å; F169-I171 VanDerWaalsContact C-N 3.34Å; F169-I171 PolarHBondContact O-N 2.95Å; F169-V172 PolarHBondContact O-N 2.85Å; F169-H173 HydrophobicContact CD1-CB 4.35Å; F169-H173 HydrophobicContact CE1-CB 3.94Å; F169-H173 HydrophobicContact CZ-CB 4.22Å; F169-H173 WeakPolarHBondContact O-CB 3.48Å; F169-H173 PolarHBondContact O-N 2.88Å
170L98.3Very high98.1Very high66 Ų6644.8 Ų44.835%0.34624%0.239SC..Hα-helixtrans-63.5-39.6179.8-65.7174000111.9I166 I167 W168 H173 Y174I166-L170 HydrophobicContact CG2-CD1 4.01Å; I166-L170 HydrophobicContact CG2-CG 4.46Å; I166-L170 VanDerWaalsContact O-CG 3.31Å; I166-L170 WeakPolarHBondContact O-CG 3.45Å; I166-L170 PolarHBondContact O-N 3.39Å; I167-L170 PolarHBondContact O-N 3.26Å; W168-L170 VanDerWaalsContact C-N 3.33Å; W168-L170 PolarHBondContact O-N 3.48Å; L170-H173 PolarHBondContact O-N 3.3Å; L170-Y174 HydrophobicContact CB-CD2 4.43Å; L170-Y174 HydrophobicContact CD2-CD2 4.19Å; L170-Y174 HydrophobicContact CD2-CE2 3.8Å; L170-Y174 WeakPolarHBondContact O-CB 3.4Å; L170-Y174 WeakPolarHBondContact O-CD2 3.42Å; L170-Y174 PolarHBondContact O-N 2.92Å
171I98.5Very high98.1Very high68 Ų6845.5 Ų45.535%0.34925%0.246SC..Hα-helixtrans-62-51.3174.1-70164.7000110.3I167 W168 F169 H173 A175 I176I167-I171 HydrophobicContact CG2-CD1 3.77Å; I167-I171 WeakPolarHBondContact O-CG1 3.43Å; I167-I171 PolarHBondContact O-N 3.11Å; W168-I171 HydrophobicContact CE3-CD1 4.43Å; W168-I171 PolarHBondContact O-N 2.82Å; F169-I171 VanDerWaalsContact C-N 3.34Å; F169-I171 PolarHBondContact O-N 2.95Å; I171-H173 VanDerWaalsContact C-N 3.3Å; I171-H173 PolarHBondContact O-N 3.48Å; I171-A175 HydrophobicContact CG2-CB 4.48Å; I171-A175 WeakPolarHBondContact O-CA 3.31Å; I171-A175 VanDerWaalsContact O-CB 3.3Å; I171-A175 WeakPolarHBondContact O-CB 3.5Å; I171-A175 PolarHBondContact O-N 3.29Å; I171-I176 HydrophobicContact CG2-CD1 3.96Å; I171-I176 HydrophobicContact CG2-CG1 4.03Å; I171-I176 PolarHBondContact O-N 3.25Å
172V98.1Very high98Very high0 Ų054.9 Ų54.90%028%0.282CS..Iπ-helixtrans-59.8-43.8179.5173.80000110.7F55 W168 F169 I176 T177 F180F55-V172 HydrophobicContact CB-CG1 4.19Å; F55-V172 HydrophobicContact CB-CG2 3.98Å; W168-V172 HydrophobicContact CD2-CG2 4.47Å; W168-V172 HydrophobicContact CG-CG2 4.44Å; W168-V172 HydrophobicContact CZ2-CG2 4.49Å; W168-V172 VanDerWaalsContact O-CG2 3.31Å; W168-V172 WeakPolarHBondContact O-CG2 3.38Å; W168-V172 PolarHBondContact O-N 3.38Å; F169-V172 PolarHBondContact O-N 2.85Å; V172-I176 HydrophobicContact CG2-CD1 4.13Å; V172-I176 PolarHBondContact O-N 2.89Å; V172-T177 WeakPolarHBondContact O-CB 3.32Å; V172-T177 PolarHBondContact O-N 2.73Å; V172-T177 PolarHBondContact O-OG1 3.01Å; V172-F180 HydrophobicContact CG1-CZ 4.4Å
173H96.6Very high97.9Very high36 Ų3657.9 Ų57.917%0.16729%0.291CS..Iπ-helixtrans-70-48.4-176.2-17568000112.9F169 L170 I171 T177F169-H173 HydrophobicContact CD1-CB 4.35Å; F169-H173 HydrophobicContact CE1-CB 3.94Å; F169-H173 HydrophobicContact CZ-CB 4.22Å; F169-H173 WeakPolarHBondContact O-CB 3.48Å; F169-H173 PolarHBondContact O-N 2.88Å; L170-H173 PolarHBondContact O-N 3.3Å; I171-H173 VanDerWaalsContact C-N 3.3Å; I171-H173 PolarHBondContact O-N 3.48Å; H173-T177 WeakPolarHBondContact O-CB 3.49Å
174Y97.1Very high97.8Very high156 Ų15654.9 Ų54.961%0.61228%0.277SS*.Iπ-helixtrans-95.6-32.5-172.5-69.8-63.9000114.2L170 P178L170-Y174 HydrophobicContact CB-CD2 4.43Å; L170-Y174 HydrophobicContact CD2-CD2 4.19Å; L170-Y174 HydrophobicContact CD2-CE2 3.8Å; L170-Y174 WeakPolarHBondContact O-CB 3.4Å; L170-Y174 WeakPolarHBondContact O-CD2 3.42Å; L170-Y174 PolarHBondContact O-N 2.92Å; Y174-P178 WeakPolarHBondContact O-CG 3.32Å
175A97.9Very high97.7Very high60 Ų6058.5 Ų58.550%0.49629%0.294SS..Iπ-helixtrans-100.9-41.8-175.900000112.9I171I171-A175 HydrophobicContact CG2-CB 4.48Å; I171-A175 WeakPolarHBondContact O-CA 3.31Å; I171-A175 VanDerWaalsContact O-CB 3.3Å; I171-A175 WeakPolarHBondContact O-CB 3.5Å; I171-A175 PolarHBondContact O-N 3.29Å
176I97.9Very high97.7Very high21 Ų2160.6 Ų60.611%0.10831%0.309CS..Iπ-helixtrans-90.6-41.4-172.6-46.4-175.1000112.3F55 I171 V172 P178 I179 F180 F183F55-I176 HydrophobicContact CD1-CD1 3.62Å; F55-I176 HydrophobicContact CD1-CG2 4.04Å; F55-I176 HydrophobicContact CD2-CG2 3.97Å; F55-I176 HydrophobicContact CE1-CD1 3.73Å; F55-I176 HydrophobicContact CE1-CG2 3.66Å; F55-I176 HydrophobicContact CE2-CG2 3.59Å; F55-I176 HydrophobicContact CG-CD1 4.36Å; F55-I176 HydrophobicContact CG-CG2 4.19Å; F55-I176 HydrophobicContact CZ-CG2 3.44Å; F55-I176 VanDerWaalsContact CZ-CG2 3.44Å; I171-I176 HydrophobicContact CG2-CD1 3.96Å; I171-I176 HydrophobicContact CG2-CG1 4.03Å; I171-I176 PolarHBondContact O-N 3.25Å; V172-I176 HydrophobicContact CG2-CD1 4.13Å; V172-I176 PolarHBondContact O-N 2.89Å; I176-P178 VanDerWaalsContact C-N 3.35Å; I176-I179 HydrophobicContact CG2-CD1 4.4Å; I176-I179 HydrophobicContact CG2-CG1 4.28Å; I176-I179 CarbonylContact O-C 3.43Å; I176-I179 WeakPolarHBondContact O-CG1 3.27Å; I176-I179 PolarHBondContact O-N 2.99Å; I176-F180 HydrophobicContact CB-CE1 4.14Å; I176-F180 HydrophobicContact CG2-CD1 4.01Å; I176-F180 HydrophobicContact CG2-CE1 3.54Å; I176-F180 WeakPolarHBondContact O-CD1 3.31Å; I176-F180 PolarHBondContact O-N 2.97Å; I176-F183 HydrophobicContact CG2-CE2 4.28Å
177T96.9Very high97.6Very high14 Ų1466.9 Ų66.99%0.08633%0.329CS..G310 helixtrans-54.2-43.7-179.8-63.80000112.8V172 H173 I179 F180 T198V172-T177 WeakPolarHBondContact O-CB 3.32Å; V172-T177 PolarHBondContact O-N 2.73Å; V172-T177 PolarHBondContact O-OG1 3.01Å; H173-T177 WeakPolarHBondContact O-CB 3.49Å; T177-I179 PolarHBondContact O-N 3.19Å; T177-I179 VanDerWaalsContact O-N 3.1Å; T177-F180 HydrophobicContact CG2-CD2 4.37Å; T177-F180 HydrophobicContact CG2-CE2 4.48Å; T177-F180 VanDerWaalsContact O-CB 3.31Å; T177-F180 WeakPolarHBondContact O-CB 3.44Å; T177-F180 WeakPolarHBondContact O-CG 3.27Å; T177-F180 PolarHBondContact O-N 3Å; T177-F180 VanDerWaalsContact O-N 3.07Å; T177-T198 HydrophobicContact CG2-CG2 3.82Å
178P97.1Very high97.5Very high90 Ų9067.1 Ų67.158%0.58433%0.329SS*.G310 helixtrans-62.1-19.4177.3-25.236.5000115Y174 I176Y174-P178 WeakPolarHBondContact O-CG 3.32Å; I176-P178 VanDerWaalsContact C-N 3.35Å
179I97.3Very high97.4Very high57 Ų5765 Ų6529%0.29232%0.322SS..G310 helixtrans-102.73.6178.163165.8000112.9I176 T177 P181 R182 F183I176-I179 HydrophobicContact CG2-CD1 4.4Å; I176-I179 HydrophobicContact CG2-CG1 4.28Å; I176-I179 CarbonylContact O-C 3.43Å; I176-I179 WeakPolarHBondContact O-CG1 3.27Å; I176-I179 PolarHBondContact O-N 2.99Å; T177-I179 PolarHBondContact O-N 3.19Å; T177-I179 VanDerWaalsContact O-N 3.1Å; I179-P181 VanDerWaalsContact C-CD 3.45Å; I179-P181 VanDerWaalsContact C-N 3.32Å; I179-R182 WeakPolarHBondContact O-CB 3.21Å; I179-R182 PolarHBondContact O-N 3.26Å; I179-F183 HydrophobicContact CD1-CE2 3.81Å; I179-F183 HydrophobicContact CD1-CZ 4.42Å; I179-F183 HydrophobicContact CG1-CE2 3.97Å; I179-F183 WeakPolarHBondContact O-CD2 3.37Å
180F97.9Very high97.4Very high0 Ų071.2 Ų71.20%035%0.35CS..Hα-helixtrans-52.2-40.3174.3-78.74.9000114.1L51 H52 F55 V172 I176 T177 R182 F183 T184 D196 T198L51-F180 HydrophobicContact CB-CD1 4.28Å; L51-F180 HydrophobicContact CB-CD2 3.94Å; L51-F180 HydrophobicContact CB-CE1 4.19Å; L51-F180 HydrophobicContact CB-CE2 3.85Å; L51-F180 HydrophobicContact CB-CG 4.16Å; L51-F180 HydrophobicContact CB-CZ 3.99Å; L51-F180 HydrophobicContact CD1-CB 3.67Å; L51-F180 HydrophobicContact CD1-CD1 4.09Å; L51-F180 HydrophobicContact CD1-CD2 4.1Å; L51-F180 HydrophobicContact CD1-CG 3.71Å; H52-F180 HydrophobicContact CB-CE2 4.27Å; F55-F180 AromaticContact CD2-CE1 3.57Å; F55-F180 HydrophobicContact CD2-CE1 3.57Å; F55-F180 HydrophobicContact CD2-CZ 4.01Å; F55-F180 HydrophobicContact CE2-CD1 4.31Å; F55-F180 AromaticContact CE2-CE1 3.73Å; F55-F180 HydrophobicContact CE2-CE1 3.73Å; V172-F180 HydrophobicContact CG1-CZ 4.4Å; I176-F180 HydrophobicContact CB-CE1 4.14Å; I176-F180 HydrophobicContact CG2-CD1 4.01Å; I176-F180 HydrophobicContact CG2-CE1 3.54Å; I176-F180 WeakPolarHBondContact O-CD1 3.31Å; I176-F180 PolarHBondContact O-N 2.97Å; T177-F180 HydrophobicContact CG2-CD2 4.37Å; T177-F180 HydrophobicContact CG2-CE2 4.48Å; T177-F180 VanDerWaalsContact O-CB 3.31Å; T177-F180 WeakPolarHBondContact O-CB 3.44Å; T177-F180 WeakPolarHBondContact O-CG 3.27Å; T177-F180 PolarHBondContact O-N 3Å; T177-F180 VanDerWaalsContact O-N 3.07Å; F180-R182 PolarHBondContact O-N 3.2Å; F180-F183 WeakPolarHBondContact O-CA 3.43Å; F180-F183 WeakPolarHBondContact O-CB 3.37Å; F180-F183 PolarHBondContact O-N 3.06Å; F180-T184 PolarHBondContact O-N 3.35Å; F180-D196 WeakPolarHBondContact CB-OD2 3.47Å; F180-D196 WeakPolarHBondContact CD2-OD1 3.38Å; F180-T198 HydrophobicContact CD2-CG2 3.58Å; F180-T198 HydrophobicContact CE2-CG2 3.5Å; F180-T198 VanDerWaalsContact CE2-CG2 3.5Å
181P97Very high97.4Very high55 Ų5573.3 Ų73.336%0.35736%0.362SS..Hα-helixtrans-56.6-34.5174.7-28.736.8000113.5I179 F183 T184 D185I179-P181 VanDerWaalsContact C-CD 3.45Å; I179-P181 VanDerWaalsContact C-N 3.32Å; P181-F183 VanDerWaalsContact C-N 3.27Å; P181-F183 PolarHBondContact O-N 3.34Å; P181-T184 WeakPolarHBondContact CA-OG1 3.48Å; P181-T184 PolarHBondContact O-N 3.12Å; P181-T184 PolarHBondContact O-OG1 3.01Å; P181-D185 WeakPolarHBondContact O-CB 3.32Å; P181-D185 PolarHBondContact O-N 2.98Å
182R97.2Very high97.3Very high196 Ų19674.6 Ų74.674%0.7437%0.369SS*.Hα-helixtrans-66-31.8175.9-62.3-177.6177.6151.5-0.5112.2I179 F180 S186I179-R182 WeakPolarHBondContact O-CB 3.21Å; I179-R182 PolarHBondContact O-N 3.26Å; F180-R182 PolarHBondContact O-N 3.2Å; R182-S186 WeakPolarHBondContact O-CB 3.27Å; R182-S186 PolarHBondContact O-N 3.4Å
183F96.7Very high97.2Very high77 Ų7780 Ų8034%0.33840%0.395SS..Hα-helixtrans-73.3-48.8175.3-70.9-80.1000110.9L51 F55 I176 I179 F180 P181 D185 S186 G189L51-F183 HydrophobicContact CD1-CB 3.91Å; L51-F183 HydrophobicContact CD2-CB 3.98Å; F55-F183 HydrophobicContact CE2-CD2 4.45Å; F55-F183 HydrophobicContact CE2-CE2 4.21Å; F55-F183 HydrophobicContact CE2-CZ 4.4Å; F55-F183 HydrophobicContact CZ-CE1 4.24Å; F55-F183 AromaticContact CZ-CE2 3.9Å; F55-F183 HydrophobicContact CZ-CE2 3.9Å; F55-F183 AromaticContact CZ-CZ 3.73Å; F55-F183 HydrophobicContact CZ-CZ 3.73Å; I176-F183 HydrophobicContact CG2-CE2 4.28Å; I179-F183 HydrophobicContact CD1-CE2 3.81Å; I179-F183 HydrophobicContact CD1-CZ 4.42Å; I179-F183 HydrophobicContact CG1-CE2 3.97Å; I179-F183 WeakPolarHBondContact O-CD2 3.37Å; F180-F183 WeakPolarHBondContact O-CA 3.43Å; F180-F183 WeakPolarHBondContact O-CB 3.37Å; F180-F183 PolarHBondContact O-N 3.06Å; P181-F183 VanDerWaalsContact C-N 3.27Å; P181-F183 PolarHBondContact O-N 3.34Å; F183-D185 VanDerWaalsContact C-N 3.35Å; F183-D185 PolarHBondContact O-N 3.27Å; F183-S186 PolarHBondContact O-N 3.1Å; F183-S186 PolarHBondContact O-OG 2.77Å; F183-G189 VanDerWaalsContact O-CA 3.22Å; F183-G189 WeakPolarHBondContact O-CA 3.5Å
184T97.2Very high97.3Very high25 Ų2579.9 Ų79.915%0.15340%0.396CS..Hα-helixtrans-63.4-39.7-179.755.50000112.5L51 F180 P181 S186 D196L51-T184 HydrophobicContact CD1-CG2 3.71Å; F180-T184 PolarHBondContact O-N 3.35Å; P181-T184 WeakPolarHBondContact CA-OG1 3.48Å; P181-T184 PolarHBondContact O-N 3.12Å; P181-T184 PolarHBondContact O-OG1 3.01Å; T184-S186 VanDerWaalsContact C-N 3.34Å; T184-D196 HydrophobicContact CG2-CB 3.97Å
185D97.3Very high97.3Very high111 Ų11175.5 Ų75.559%0.59438%0.381SS*.Hα-helixtrans-83.3-13.5-174.9-59.7-11.1000112.5P181 F183 Q190P181-D185 WeakPolarHBondContact O-CB 3.32Å; P181-D185 PolarHBondContact O-N 2.98Å; F183-D185 VanDerWaalsContact C-N 3.35Å; F183-D185 PolarHBondContact O-N 3.27Å; D185-Q190 PolarHBondContact O-NE2 3.07Å
186S97.6Very high97.1Very high44 Ų4474.3 Ų74.331%0.30837%0.366SS..SBendtrans-63.9154.7175.273.60000111.9R182 F183 T184 I188 G189 Q190R182-S186 WeakPolarHBondContact O-CB 3.27Å; R182-S186 PolarHBondContact O-N 3.4Å; F183-S186 PolarHBondContact O-N 3.1Å; F183-S186 PolarHBondContact O-OG 2.77Å; T184-S186 VanDerWaalsContact C-N 3.34Å; S186-I188 VanDerWaalsContact C-N 3.25Å; S186-I188 PolarHBondContact O-N 3.29Å; S186-G189 WeakPolarHBondContact O-CA 3.43Å; S186-G189 PolarHBondContact O-N 3.25Å; S186-G189 PolarHBondContact OG-N 3.45Å; S186-Q190 WeakPolarHBondContact O-CG 3.17Å; S186-Q190 PolarHBondContact O-N 3.4Å
187W97.4Very high96.9Very high192 Ų19275.1 Ų75.173%0.72737%0.369SS*.Hα-helixtrans-54.9-41.617617170.6000112.5Q190 L191W187-Q190 PolarHBondContact O-N 2.92Å; W187-L191 HydrophobicContact CH2-CD2 4.16Å; W187-L191 HydrophobicContact CZ2-CD2 4.06Å; W187-L191 VanDerWaalsContact O-CB 3.24Å; W187-L191 WeakPolarHBondContact O-CB 3.36Å; W187-L191 PolarHBondContact O-N 3.26Å
188I96.7Very high96.6Very high97 Ų9775.1 Ų75.150%0.49737%0.369SS..Hα-helixtrans-66.4-40.5176-61.2172.5000110.5S186 L191 L192S186-I188 VanDerWaalsContact C-N 3.25Å; S186-I188 PolarHBondContact O-N 3.29Å; I188-L191 PolarHBondContact O-N 3.09Å; I188-L192 HydrophobicContact CG2-CD1 3.75Å; I188-L192 HydrophobicContact CG2-CG 4.23Å; I188-L192 WeakPolarHBondContact O-CB 3.23Å; I188-L192 WeakPolarHBondContact O-CG 3.27Å; I188-L192 PolarHBondContact O-N 2.96Å
189G97.3Very high96.1Very high0 Ų078 Ų780%037%0.374CS..Hα-helixtrans-59-47.5176.100000113F183 S186 L192 M193 L194F183-G189 VanDerWaalsContact O-CA 3.22Å; F183-G189 WeakPolarHBondContact O-CA 3.5Å; S186-G189 WeakPolarHBondContact O-CA 3.43Å; S186-G189 PolarHBondContact O-N 3.25Å; S186-G189 PolarHBondContact OG-N 3.45Å; G189-L192 CarbonylContact O-C 3.59Å; G189-L192 PolarHBondContact O-N 3.26Å; G189-M193 CarbonylContact O-C 3.59Å; G189-M193 WeakPolarHBondContact O-CA 3.41Å; G189-M193 PolarHBondContact O-N 3.49Å; G189-L194 PolarHBondContact O-N 2.82Å
190Q97.2Very high95.7Very high130 Ų13077.5 Ų77.561%0.60737%0.372SS*.Hα-helixtrans-66-44.1176.5-64.6178.226.200111.4D185 S186 W187 L192 M193D185-Q190 PolarHBondContact O-NE2 3.07Å; S186-Q190 WeakPolarHBondContact O-CG 3.17Å; S186-Q190 PolarHBondContact O-N 3.4Å; W187-Q190 PolarHBondContact O-N 2.92Å; Q190-L192 VanDerWaalsContact C-N 3.33Å; Q190-L192 PolarHBondContact O-N 2.9Å; Q190-M193 PolarHBondContact O-N 3.14Å; Q190-M193 VanDerWaalsContact O-N 3.1Å
191L97.6Very high95Very high111 Ų11182.6 Ų82.658%0.58140%0.399SS*.Hα-helixtrans-59.2-43.8177.3179.166.1000111.9W187 I188 M193W187-L191 HydrophobicContact CH2-CD2 4.16Å; W187-L191 HydrophobicContact CZ2-CD2 4.06Å; W187-L191 VanDerWaalsContact O-CB 3.24Å; W187-L191 WeakPolarHBondContact O-CB 3.36Å; W187-L191 PolarHBondContact O-N 3.26Å; I188-L191 PolarHBondContact O-N 3.09Å; L191-M193 VanDerWaalsContact C-N 3.3Å
192L96.9Very high94.5Very high95 Ų9582.2 Ų82.250%0.49739%0.394SS..THydrogen-bonded Turntrans-84.6-3.7178.5-64.6179.9000113.1R49 I188 G189 Q190 L194R49-L192 WeakPolarHBondContact CD-O 3.32Å; I188-L192 HydrophobicContact CG2-CD1 3.75Å; I188-L192 HydrophobicContact CG2-CG 4.23Å; I188-L192 WeakPolarHBondContact O-CB 3.23Å; I188-L192 WeakPolarHBondContact O-CG 3.27Å; I188-L192 PolarHBondContact O-N 2.96Å; G189-L192 CarbonylContact O-C 3.59Å; G189-L192 PolarHBondContact O-N 3.26Å; Q190-L192 VanDerWaalsContact C-N 3.33Å; Q190-L192 PolarHBondContact O-N 2.9Å; L192-L194 VanDerWaalsContact C-N 3.28Å; L192-L194 HydrophobicContact CB-CD2 3.95Å; L192-L194 HydrophobicContact CB-CG 4.04Å; L192-L194 PolarHBondContact O-N 2.99Å
193M97.2Very high94Very high112 Ų11274.9 Ų74.955%0.55237%0.367SS*.THydrogen-bonded Turntrans50.445.7-173.1-58.4176.7-76.300112.7R49 G189 Q190 L191 Q195R49-M193 WeakPolarHBondContact CD-O 3.19Å; G189-M193 CarbonylContact O-C 3.59Å; G189-M193 WeakPolarHBondContact O-CA 3.41Å; G189-M193 PolarHBondContact O-N 3.49Å; Q190-M193 PolarHBondContact O-N 3.14Å; Q190-M193 VanDerWaalsContact O-N 3.1Å; L191-M193 VanDerWaalsContact C-N 3.3Å; M193-Q195 WeakPolarHBondContact O-CG 3.4Å
194L97.8Very high93.6Very high34 Ų3476.8 Ų76.818%0.17838%0.379CS..  trans-60.2138.6177.3-61.4-176.2000110.3R49 L51 I54 G189 L192R49-L194 HydrophobicContact CB-CD2 4.37Å; L51-L194 HydrophobicContact CD2-CB 4.22Å; L51-L194 HydrophobicContact CD2-CD1 3.86Å; L51-L194 HydrophobicContact CD2-CG 4.48Å; I54-L194 HydrophobicContact CD1-CD2 3.81Å; G189-L194 PolarHBondContact O-N 2.82Å; L192-L194 VanDerWaalsContact C-N 3.28Å; L192-L194 HydrophobicContact CB-CD2 3.95Å; L192-L194 HydrophobicContact CB-CG 4.04Å; L192-L194 PolarHBondContact O-N 2.99Å
195Q96.3Very high93.2Very high65 Ų6581.2 Ų81.230%0.30440%0.397SS..BIsolated β-bridgetrans-119.4142.9-175.3-53.6-165.310.900110.5R49 D50 L51 M193 F197R49-Q195 PolarHBondContact O-N 3.43Å; D50-Q195 WeakPolarHBondContact CA-O 3.29Å; L51-Q195 PolarHBondContact N-O 2.82Å; M193-Q195 WeakPolarHBondContact O-CG 3.4Å; Q195-F197 HydrophobicContact CB-CE1 3.85Å; Q195-F197 HydrophobicContact CB-CE2 4.37Å; Q195-F197 HydrophobicContact CB-CZ 3.8Å; Q195-F197 HydrophobicContact CG-CZ 4.44Å
196D95Very high92.9Very high35 Ų3580.4 Ų80.419%0.18739%0.389CS..  trans-117.5107173.9-177.27.6000110.2L51 F180 T184 T198L51-D196 HydrophobicContact CD1-CB 4.36Å; F180-D196 WeakPolarHBondContact CB-OD2 3.47Å; F180-D196 WeakPolarHBondContact CD2-OD1 3.38Å; T184-D196 HydrophobicContact CG2-CB 3.97Å; D196-T198 WeakPolarHBondContact OD1-CB 3.44Å; D196-T198 WeakPolarHBondContact OD1-CG2 3.3Å; D196-T198 PolarHBondContact OD1-N 2.74Å; D196-T198 PolarHBondContact OD1-OG1 3.25Å; D196-T198 PolarHBondContact OD2-OG1 3.38Å
197F92.5Very high92.6Very high38 Ų3881.3 Ų81.317%0.16739%0.388CS..  trans-95.75.4177.6-56-43.7000113.7R48 D50 Q195 H199 I200 F203R48-F197 HydrophobicContact CB-CE2 4.32Å; D50-F197 HydrophobicContact CB-CD2 3.8Å; D50-F197 HydrophobicContact CB-CE2 3.81Å; Q195-F197 HydrophobicContact CB-CE1 3.85Å; Q195-F197 HydrophobicContact CB-CE2 4.37Å; Q195-F197 HydrophobicContact CB-CZ 3.8Å; Q195-F197 HydrophobicContact CG-CZ 4.44Å; F197-H199 PolarHBondContact O-N 2.84Å; F197-H199 VanDerWaalsContact O-N 3.09Å; F197-I200 HydrophobicContact CD1-CD1 3.9Å; F197-I200 PolarHBondContact O-N 3.07Å; F197-F203 AromaticContact CD1-CD2 3.6Å; F197-F203 HydrophobicContact CD1-CD2 3.6Å; F197-F203 AromaticContact CD1-CE2 3.6Å; F197-F203 HydrophobicContact CD1-CE2 3.6Å; F197-F203 HydrophobicContact CD2-CD2 4.31Å; F197-F203 HydrophobicContact CD2-CE2 4.4Å; F197-F203 AromaticContact CE1-CD2 3.71Å; F197-F203 HydrophobicContact CE1-CD2 3.71Å; F197-F203 AromaticContact CE1-CE2 3.17Å; F197-F203 HydrophobicContact CE1-CE2 3.17Å; F197-F203 AromaticContact CE1-CZ 3.9Å; F197-F203 HydrophobicContact CE1-CZ 3.9Å; F197-F203 HydrophobicContact CE2-CD2 4.38Å; F197-F203 HydrophobicContact CE2-CE2 4.03Å; F197-F203 HydrophobicContact CE2-CZ 4.14Å; F197-F203 AromaticContact CG-CD2 3.9Å; F197-F203 HydrophobicContact CG-CD2 3.9Å; F197-F203 HydrophobicContact CG-CE2 4.18Å; F197-F203 HydrophobicContact CZ-CD2 4.08Å; F197-F203 HydrophobicContact CZ-CE1 4.47Å; F197-F203 AromaticContact CZ-CE2 3.39Å; F197-F203 HydrophobicContact CZ-CE2 3.39Å; F197-F203 AromaticContact CZ-CZ 3.62Å; F197-F203 HydrophobicContact CZ-CZ 3.62Å
198T91.1Very high92.4Very high13 Ų1379 Ų798%0.0838%0.38CS..THydrogen-bonded Turntrans-59.4-26.3-172.757.60000114.7R114 T177 F180 D196R114-T198 PolarHBondContact NH1-O 3.48Å; R114-T198 PolarHBondContact NH2-O 3.29Å; T177-T198 HydrophobicContact CG2-CG2 3.82Å; F180-T198 HydrophobicContact CD2-CG2 3.58Å; F180-T198 HydrophobicContact CE2-CG2 3.5Å; F180-T198 VanDerWaalsContact CE2-CG2 3.5Å; D196-T198 WeakPolarHBondContact OD1-CB 3.44Å; D196-T198 WeakPolarHBondContact OD1-CG2 3.3Å; D196-T198 PolarHBondContact OD1-N 2.74Å; D196-T198 PolarHBondContact OD1-OG1 3.25Å; D196-T198 PolarHBondContact OD2-OG1 3.38Å
199H87.4Confident92.3Very high151 Ų15176.7 Ų76.770%0.69937%0.371SS*.THydrogen-bonded Turntrans-96-4.2178.6-62.5-72.8000113.7F197F197-H199 PolarHBondContact O-N 2.84Å; F197-H199 VanDerWaalsContact O-N 3.09Å
200I87.9Confident92.1Very high47 Ų4780.8 Ų80.824%0.24139%0.392CS..  trans-95.3110.5-176.5-52.7-178.8000109.8F197 N202 F203 F206F197-I200 HydrophobicContact CD1-CD1 3.9Å; F197-I200 PolarHBondContact O-N 3.07Å; I200-N202 PolarHBondContact O-N 3.26Å; I200-F203 HydrophobicContact CD1-CD2 4.29Å; I200-F203 HydrophobicContact CG2-CB 4.37Å; I200-F206 HydrophobicContact CD1-CD1 3.83Å; I200-F206 HydrophobicContact CD1-CE1 3.73Å; I200-F206 HydrophobicContact CD1-CG 4.37Å; I200-F206 HydrophobicContact CD1-CZ 4.21Å; I200-F206 HydrophobicContact CG2-CB 3.68Å; I200-F206 HydrophobicContact CG2-CD1 4.22Å; I200-F206 HydrophobicContact CG2-CD2 4.42Å; I200-F206 HydrophobicContact CG2-CG 3.88Å
201N84.4Confident92Very high107 Ų10778.1 Ų78.157%0.57238%0.384SS*.SBendtrans-62.7-44-174.9-68.9-35.8000114.1N116 S119N116-N201 HydrophobicContact CB-CB 4.31Å; N116-N201 WeakPolarHBondContact ND2-CB 3.4Å; N116-N201 PolarHBondContact ND2-OD1 2.9Å; S119-N201 VanDerWaalsContact CB-O 3.28Å; S119-N201 WeakPolarHBondContact CB-O 3.47Å; S119-N201 PolarHBondContact OG-O 3.48Å
202N86.3Confident91.8Very high46 Ų4675.9 Ų75.925%0.24637%0.371CS..  trans-131.392.6175.2-172.5-24.8000108.3S119 I200 M204 H205 F206S119-N202 WeakPolarHBondContact OG-CB 3.43Å; S119-N202 PolarHBondContact OG-ND2 3.03Å; S119-N202 VanDerWaalsContact OG-ND2 3.12Å; I200-N202 PolarHBondContact O-N 3.26Å; N202-M204 VanDerWaalsContact C-N 3.3Å; N202-M204 PolarHBondContact O-N 3.45Å; N202-M204 PolarHBondContact OD1-N 3.1Å; N202-H205 HydrophobicContact CB-CB 3.88Å; N202-H205 VanDerWaalsContact CG-CB 3.41Å; N202-H205 PolarHBondContact O-N 3.15Å; N202-H205 PolarHBondContact OD1-N 2.99Å; N202-F206 WeakPolarHBondContact O-CB 3.45Å; N202-F206 PolarHBondContact O-N 3.24Å
203F86.7Confident91.6Very high43 Ų4375.3 Ų75.319%0.18937%0.368CS..Hα-helixtrans-59.6-41.2-179.2175.8-101.8000112.3F197 I200 H205 F206 E207F197-F203 AromaticContact CD1-CD2 3.6Å; F197-F203 HydrophobicContact CD1-CD2 3.6Å; F197-F203 AromaticContact CD1-CE2 3.6Å; F197-F203 HydrophobicContact CD1-CE2 3.6Å; F197-F203 HydrophobicContact CD2-CD2 4.31Å; F197-F203 HydrophobicContact CD2-CE2 4.4Å; F197-F203 AromaticContact CE1-CD2 3.71Å; F197-F203 HydrophobicContact CE1-CD2 3.71Å; F197-F203 AromaticContact CE1-CE2 3.17Å; F197-F203 HydrophobicContact CE1-CE2 3.17Å; F197-F203 AromaticContact CE1-CZ 3.9Å; F197-F203 HydrophobicContact CE1-CZ 3.9Å; F197-F203 HydrophobicContact CE2-CD2 4.38Å; F197-F203 HydrophobicContact CE2-CE2 4.03Å; F197-F203 HydrophobicContact CE2-CZ 4.14Å; F197-F203 AromaticContact CG-CD2 3.9Å; F197-F203 HydrophobicContact CG-CD2 3.9Å; F197-F203 HydrophobicContact CG-CE2 4.18Å; F197-F203 HydrophobicContact CZ-CD2 4.08Å; F197-F203 HydrophobicContact CZ-CE1 4.47Å; F197-F203 AromaticContact CZ-CE2 3.39Å; F197-F203 HydrophobicContact CZ-CE2 3.39Å; F197-F203 AromaticContact CZ-CZ 3.62Å; F197-F203 HydrophobicContact CZ-CZ 3.62Å; I200-F203 HydrophobicContact CD1-CD2 4.29Å; I200-F203 HydrophobicContact CG2-CB 4.37Å; F203-H205 PolarHBondContact O-N 3.27Å; F203-F206 PolarHBondContact O-N 2.94Å; F203-E207 HydrophobicContact CE1-CB 4.35Å; F203-E207 HydrophobicContact CZ-CB 4.19Å; F203-E207 WeakPolarHBondContact O-CB 3.48Å; F203-E207 PolarHBondContact O-N 3.42Å
204M87.3Confident91.4Very high117 Ų11777 Ų7758%0.57637%0.369SS*.Hα-helixtrans-62.6-43.6-179.4-64.8-59.3-59.600111.9N202 Y208N202-M204 VanDerWaalsContact C-N 3.3Å; N202-M204 PolarHBondContact O-N 3.45Å; N202-M204 PolarHBondContact OD1-N 3.1Å; M204-Y208 WeakPolarHBondContact O-CB 3.33Å; M204-Y208 PolarHBondContact O-N 2.79Å
205H88.7Confident91.1Very high117 Ų11778.7 Ų78.754%0.54238%0.378SS..Hα-helixtrans-67.4-42.1176-176.9-88000111.5N202 F203 Y208 T209N202-H205 HydrophobicContact CB-CB 3.88Å; N202-H205 VanDerWaalsContact CG-CB 3.41Å; N202-H205 PolarHBondContact O-N 3.15Å; N202-H205 PolarHBondContact OD1-N 2.99Å; F203-H205 PolarHBondContact O-N 3.27Å; H205-Y208 PolarHBondContact O-N 2.92Å; H205-T209 PolarHBondContact O-N 2.88Å; H205-T209 PolarHBondContact O-OG1 3.32Å
206F91.4Very high90.8Very high94 Ų9478.1 Ų78.141%0.41238%0.375SS..Hα-helixtrans-60.3-49.1177174.5-98.2000112.2I200 N202 F203 Y208 T209 I210I200-F206 HydrophobicContact CD1-CD1 3.83Å; I200-F206 HydrophobicContact CD1-CE1 3.73Å; I200-F206 HydrophobicContact CD1-CG 4.37Å; I200-F206 HydrophobicContact CD1-CZ 4.21Å; I200-F206 HydrophobicContact CG2-CB 3.68Å; I200-F206 HydrophobicContact CG2-CD1 4.22Å; I200-F206 HydrophobicContact CG2-CD2 4.42Å; I200-F206 HydrophobicContact CG2-CG 3.88Å; N202-F206 WeakPolarHBondContact O-CB 3.45Å; N202-F206 PolarHBondContact O-N 3.24Å; F203-F206 PolarHBondContact O-N 2.94Å; F206-Y208 PolarHBondContact O-N 3.07Å; F206-T209 PolarHBondContact O-N 3.45Å; F206-I210 HydrophobicContact CD1-CD1 3.95Å; F206-I210 HydrophobicContact CD2-CD1 4.23Å; F206-I210 HydrophobicContact CE1-CD1 3.35Å; F206-I210 HydrophobicContact CE2-CD1 3.66Å; F206-I210 HydrophobicContact CE2-CG1 4.45Å; F206-I210 HydrophobicContact CG-CD1 4.37Å; F206-I210 HydrophobicContact CZ-CD1 3.21Å; F206-I210 HydrophobicContact CZ-CG1 4.39Å; F206-I210 WeakPolarHBondContact O-CG1 3.4Å; F206-I210 PolarHBondContact O-N 3.18Å
207E92Very high90.7Very high64 Ų6481.8 Ų81.830%0.29940%0.399SS..Hα-helixtrans-58.5-47.6176.4178.6170.6-12800110.8R48 F203 T209 I210 V211R48-E207 IonicContact CZ-OE1 3.69Å; R48-E207 IonicContact CZ-OE2 3.63Å; R48-E207 IonicContact NH1-OE1 3.74Å; R48-E207 PolarHBondContact NH1-OE1 2.76Å; R48-E207 IonicContact NH1-OE2 2.7Å; R48-E207 PolarHBondContact NH1-OE2 3.49Å; R48-E207 IonicContact NH2-OE1 3.33Å; R48-E207 IonicContact NH2-OE2 3.03Å; R48-E207 PolarHBondContact NH2-OE2 2.87Å; F203-E207 HydrophobicContact CE1-CB 4.35Å; F203-E207 HydrophobicContact CZ-CB 4.19Å; F203-E207 WeakPolarHBondContact O-CB 3.48Å; F203-E207 PolarHBondContact O-N 3.42Å; E207-T209 PolarHBondContact O-N 3.08Å; E207-I210 PolarHBondContact O-N 3Å; E207-V211 WeakPolarHBondContact O-CG2 3.41Å; E207-V211 PolarHBondContact O-N 3.34Å; E207-V211 VanDerWaalsContact O-N 3.1Å
208Y93.3Very high90.6Very high143 Ų14387.3 Ų87.356%0.56142%0.423SS*.Hα-helixtrans-57.2-50.8176.7174.5-96.4000112.2M204 H205 F206 I210 V211 Q212M204-Y208 WeakPolarHBondContact O-CB 3.33Å; M204-Y208 PolarHBondContact O-N 2.79Å; H205-Y208 PolarHBondContact O-N 2.92Å; F206-Y208 PolarHBondContact O-N 3.07Å; Y208-I210 PolarHBondContact O-N 3.5Å; Y208-V211 PolarHBondContact O-N 2.95Å; Y208-Q212 HydrophobicContact CD1-CG 4.16Å; Y208-Q212 HydrophobicContact CD2-CG 4.22Å; Y208-Q212 HydrophobicContact CE1-CG 3.71Å; Y208-Q212 HydrophobicContact CE2-CG 3.79Å; Y208-Q212 HydrophobicContact CG-CG 4.4Å; Y208-Q212 WeakPolarHBondContact O-CG 3.35Å; Y208-Q212 PolarHBondContact O-N 3.33Å
209T93.6Very high90.5Very high48 Ų4889.6 Ų89.629%0.29444%0.439SS..Hα-helixtrans-61.8-41.9-178.1-59.90000112H205 F206 E207 V211 Q212 N213H205-T209 PolarHBondContact O-N 2.88Å; H205-T209 PolarHBondContact O-OG1 3.32Å; F206-T209 PolarHBondContact O-N 3.45Å; E207-T209 PolarHBondContact O-N 3.08Å; T209-V211 PolarHBondContact O-N 3.46Å; T209-Q212 PolarHBondContact O-N 3.48Å; T209-N213 WeakPolarHBondContact O-CB 3.29Å; T209-N213 PolarHBondContact O-N 2.93Å; T209-N213 PolarHBondContact O-ND2 3.08Å; T209-N213 PolarHBondContact O-OD1 3.15Å
210I94.2Very high90.2Very high87 Ų8785.8 Ų85.845%0.44644%0.441SS..Hα-helixtrans-62.2-45.1177.5-73.6179.9000111.2F206 E207 Y208 N213 Y214F206-I210 HydrophobicContact CD1-CD1 3.95Å; F206-I210 HydrophobicContact CD2-CD1 4.23Å; F206-I210 HydrophobicContact CE1-CD1 3.35Å; F206-I210 HydrophobicContact CE2-CD1 3.66Å; F206-I210 HydrophobicContact CE2-CG1 4.45Å; F206-I210 HydrophobicContact CG-CD1 4.37Å; F206-I210 HydrophobicContact CZ-CD1 3.21Å; F206-I210 HydrophobicContact CZ-CG1 4.39Å; F206-I210 WeakPolarHBondContact O-CG1 3.4Å; F206-I210 PolarHBondContact O-N 3.18Å; E207-I210 PolarHBondContact O-N 3Å; Y208-I210 PolarHBondContact O-N 3.5Å; I210-N213 PolarHBondContact O-N 3.11Å; I210-Y214 WeakPolarHBondContact O-CB 3.39Å; I210-Y214 PolarHBondContact O-N 3.06Å
211V94.4Very high89.7Confident73 Ų7391.7 Ų91.744%0.44246%0.46SS..Hα-helixtrans-64.4-44.2179.8172.70000111E207 Y208 T209 Y214 I215E207-V211 WeakPolarHBondContact O-CG2 3.41Å; E207-V211 PolarHBondContact O-N 3.34Å; E207-V211 VanDerWaalsContact O-N 3.1Å; Y208-V211 PolarHBondContact O-N 2.95Å; T209-V211 PolarHBondContact O-N 3.46Å; V211-Y214 PolarHBondContact O-N 3.45Å; V211-I215 HydrophobicContact CG1-CD1 3.86Å; V211-I215 WeakPolarHBondContact O-CG1 3.42Å; V211-I215 PolarHBondContact O-N 3.28Å
212Q93.3Very high89.1Confident65 Ų6592.2 Ų92.230%0.30447%0.469SS..Hα-helixtrans-62.1-46.5177.3-68.5-53.8-43.300111.9Y208 T209 Y214 I215 Q216Y208-Q212 HydrophobicContact CD1-CG 4.16Å; Y208-Q212 HydrophobicContact CD2-CG 4.22Å; Y208-Q212 HydrophobicContact CE1-CG 3.71Å; Y208-Q212 HydrophobicContact CE2-CG 3.79Å; Y208-Q212 HydrophobicContact CG-CG 4.4Å; Y208-Q212 WeakPolarHBondContact O-CG 3.35Å; Y208-Q212 PolarHBondContact O-N 3.33Å; T209-Q212 PolarHBondContact O-N 3.48Å; Q212-Y214 VanDerWaalsContact C-N 3.33Å; Q212-Y214 PolarHBondContact O-N 2.79Å; Q212-I215 PolarHBondContact O-N 2.87Å; Q212-Q216 WeakPolarHBondContact O-CB 3.45Å; Q212-Q216 WeakPolarHBondContact O-CG 3.44Å; Q212-Q216 PolarHBondContact O-N 3.44Å
213N93.1Very high88.3Confident82 Ų8296.9 Ų96.944%0.43951%0.514SS..Hα-helixtrans-62.5-39.8178.6-69.1-10.6000111.8T209 I210 Q216 T217T209-N213 WeakPolarHBondContact O-CB 3.29Å; T209-N213 PolarHBondContact O-N 2.93Å; T209-N213 PolarHBondContact O-ND2 3.08Å; T209-N213 PolarHBondContact O-OD1 3.15Å; I210-N213 PolarHBondContact O-N 3.11Å; N213-Q216 PolarHBondContact O-N 3.43Å; N213-T217 WeakPolarHBondContact O-CB 3.49Å; N213-T217 VanDerWaalsContact O-CG2 3.3Å; N213-T217 WeakPolarHBondContact O-CG2 3.39Å; N213-T217 PolarHBondContact O-N 3.48Å; N213-T217 PolarHBondContact O-OG1 3.44Å
214Y92.7Very high88.4Confident148 Ų14899.6 Ų99.658%0.5853%0.53SS*.Hα-helixtrans-63.3-41.4175.4-178.5-96.6000112I210 V211 Q212 T217 K218I210-Y214 WeakPolarHBondContact O-CB 3.39Å; I210-Y214 PolarHBondContact O-N 3.06Å; V211-Y214 PolarHBondContact O-N 3.45Å; Q212-Y214 VanDerWaalsContact C-N 3.33Å; Q212-Y214 PolarHBondContact O-N 2.79Å; Y214-T217 PolarHBondContact O-OG1 3.23Å; Y214-K218 HydrophobicContact CE1-CG 4.16Å; Y214-K218 HydrophobicContact CE2-CG 4.41Å; Y214-K218 WeakPolarHBondContact O-CB 3.48Å; Y214-K218 WeakPolarHBondContact O-CG 3.42Å; Y214-K218 PolarHBondContact O-N 3.08Å; Y214-K218 VanDerWaalsContact O-N 3.16Å
215I91.9Very high88.5Confident70 Ų7098.6 Ų98.636%0.35953%0.528SS..Hα-helixtrans-68.9-43.6177.2-67.6167.7000111.2V211 Q212 K218 S219V211-I215 HydrophobicContact CG1-CD1 3.86Å; V211-I215 WeakPolarHBondContact O-CG1 3.42Å; V211-I215 PolarHBondContact O-N 3.28Å; Q212-I215 PolarHBondContact O-N 2.87Å; I215-K218 PolarHBondContact O-N 3.31Å; I215-S219 VanDerWaalsContact O-CB 3.27Å; I215-S219 WeakPolarHBondContact O-CB 3.09Å; I215-S219 PolarHBondContact O-N 2.99Å; I215-S219 PolarHBondContact O-OG 3.36Å
216Q90.4Very high88.5Confident52 Ų5297.6 Ų97.624%0.24353%0.527CS..Hα-helixtrans-59.1-48.7178.1-76.7174.6-22.300111.2Q212 N213 K218 S219 G220Q212-Q216 WeakPolarHBondContact O-CB 3.45Å; Q212-Q216 WeakPolarHBondContact O-CG 3.44Å; Q212-Q216 PolarHBondContact O-N 3.44Å; N213-Q216 PolarHBondContact O-N 3.43Å; Q216-K218 VanDerWaalsContact C-N 3.31Å; Q216-K218 PolarHBondContact O-N 2.78Å; Q216-S219 PolarHBondContact O-N 3.11Å; Q216-G220 PolarHBondContact O-N 3.43Å
217T91.1Very high88.3Confident112 Ų11297.8 Ų97.869%0.68753%0.534SS*.Hα-helixtrans-62.8-33.817852.50000113.4N213 Y214N213-T217 WeakPolarHBondContact O-CB 3.49Å; N213-T217 VanDerWaalsContact O-CG2 3.3Å; N213-T217 WeakPolarHBondContact O-CG2 3.39Å; N213-T217 PolarHBondContact O-N 3.48Å; N213-T217 PolarHBondContact O-OG1 3.44Å; Y214-T217 PolarHBondContact O-OG1 3.23Å
218K90.5Very high88Confident155 Ų15599.9 Ų99.967%0.67455%0.549SS*.Hα-helixtrans-80.8-31.8177.1-74.5-71.9-175.9-179.80114.3Y214 I215 Q216Y214-K218 HydrophobicContact CE1-CG 4.16Å; Y214-K218 HydrophobicContact CE2-CG 4.41Å; Y214-K218 WeakPolarHBondContact O-CB 3.48Å; Y214-K218 WeakPolarHBondContact O-CG 3.42Å; Y214-K218 PolarHBondContact O-N 3.08Å; Y214-K218 VanDerWaalsContact O-N 3.16Å; I215-K218 PolarHBondContact O-N 3.31Å; Q216-K218 VanDerWaalsContact C-N 3.31Å; Q216-K218 PolarHBondContact O-N 2.78Å
219S88.9Confident87.7Confident60 Ų6097.1 Ų97.142%0.4255%0.548SS..Hα-helixtrans-94-12.3-175.460.60000114.1I215 Q216 R221I215-S219 VanDerWaalsContact O-CB 3.27Å; I215-S219 WeakPolarHBondContact O-CB 3.09Å; I215-S219 PolarHBondContact O-N 2.99Å; I215-S219 PolarHBondContact O-OG 3.36Å; Q216-S219 PolarHBondContact O-N 3.11Å; S219-R221 PolarHBondContact O-N 2.65Å; S219-R221 WeakPolarHBondContact OG-CD 3.49Å; S219-R221 VanDerWaalsContact OG-CG 3.3Å; S219-R221 WeakPolarHBondContact OG-CG 3.38Å
220G82.9Confident87.3Confident71 Ų71100.6 Ų100.673%0.73257%0.566SS**THydrogen-bonded Turntrans67.115.6-173.400000113.5Q216Q216-G220 PolarHBondContact O-N 3.43Å
221R76Confident86.7Confident172 Ų172101.6 Ų101.665%0.64958%0.575SS**  trans-67.6136.1174.8-73.2176.3-176.3-173.61.4109.4S219S219-R221 PolarHBondContact O-N 2.65Å; S219-R221 WeakPolarHBondContact OG-CD 3.49Å; S219-R221 VanDerWaalsContact OG-CG 3.3Å; S219-R221 WeakPolarHBondContact OG-CG 3.38Å
222P73.3Confident86.1Confident117 Ų117104 Ų10476%0.7659%0.586SS**  trans-60.9152.8172.525.4-31.7000111
223A69.4Low85.5Confident144 Ų144107.5 Ų107.5100%1.1961%0.612SS**  trans-64.30177.600000112.3

Retrieved 223 of 223 residues in 72.8 ms (Link to these results)

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