A0A3Q0KUF7_SCHMA Loading...

Tetraspanin

AlphaFold DB , UniProt , Accession A0A3Q0KUF7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 224 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M67.8Low80.2Confident206 Ų206122.5 Ų122.5100%1.01558%0.579SS**  0-52.80-155.6156.670.900112.7I3 L4 S5M1-I3 PolarHBondContact O-N 3.28Å; M1-L4 WeakPolarHBondContact O-CB 3.45Å; M1-L4 PolarHBondContact O-N 2.81Å; M1-L4 VanDerWaalsContact O-N 3.13Å; M1-S5 PolarHBondContact O-N 3.04Å
2M77.6Confident80.7Confident161 Ų161122.4 Ų122.479%0.79358%0.575SS**Hα-helixtrans-57.2-37.7-177.2-169.6172.472.600115.8L4 S5 Y6M2-L4 PolarHBondContact O-N 3.16Å; M2-S5 PolarHBondContact O-OG 3.39Å; M2-Y6 PolarHBondContact O-N 3.16Å; M2-Y6 VanDerWaalsContact O-N 3.16Å
3I79.7Confident81.3Confident129 Ų129118.5 Ų118.566%0.66257%0.569SS**Hα-helixtrans-66.4-38178-62.3172.6000111.4M1 Y6 L7M1-I3 PolarHBondContact O-N 3.28Å; I3-Y6 PolarHBondContact O-N 3.33Å; I3-L7 HydrophobicContact CG2-CD1 4.05Å; I3-L7 HydrophobicContact CG2-CG 4.39Å; I3-L7 VanDerWaalsContact O-CG 3.3Å; I3-L7 WeakPolarHBondContact O-CG 3.3Å; I3-L7 PolarHBondContact O-N 3.13Å
4L76.2Confident81.8Confident75 Ų75113.6 Ų113.639%0.39355%0.547SS..Hα-helixtrans-64.5-46.9178.7-81.3158.1000111.1M1 M2 Y6 L7 E8 K218M1-L4 WeakPolarHBondContact O-CB 3.45Å; M1-L4 PolarHBondContact O-N 2.81Å; M1-L4 VanDerWaalsContact O-N 3.13Å; M2-L4 PolarHBondContact O-N 3.16Å; L4-Y6 VanDerWaalsContact C-N 3.28Å; L4-Y6 PolarHBondContact O-N 2.98Å; L4-L7 PolarHBondContact O-N 3.48Å; L4-E8 WeakPolarHBondContact O-CG 3.37Å; L4-E8 PolarHBondContact O-N 3.24Å; L4-K218 HydrophobicContact CD2-CD 4Å; L4-K218 VanDerWaalsContact CD2-NZ 3.26Å
5S80.6Confident82.3Confident67 Ų67107.5 Ų107.547%0.46952%0.518SS..Hα-helixtrans-62-36177.651.80000112.7M1 M2 K9M1-S5 PolarHBondContact O-N 3.04Å; M2-S5 PolarHBondContact O-OG 3.39Å; S5-K9 PolarHBondContact O-N 3.35Å; S5-K9 VanDerWaalsContact O-N 3.16Å
6Y81.3Confident82.9Confident164 Ų164105 Ų10564%0.64351%0.507SS*.Hα-helixtrans-66.6-45.9176.1-170.3-93.8000111.8M2 I3 L4 E8 K9 Y10M2-Y6 PolarHBondContact O-N 3.16Å; M2-Y6 VanDerWaalsContact O-N 3.16Å; I3-Y6 PolarHBondContact O-N 3.33Å; L4-Y6 VanDerWaalsContact C-N 3.28Å; L4-Y6 PolarHBondContact O-N 2.98Å; Y6-E8 PolarHBondContact O-N 3.5Å; Y6-K9 PolarHBondContact O-N 3.05Å; Y6-Y10 WeakPolarHBondContact O-CB 3Å; Y6-Y10 PolarHBondContact O-N 3.13Å
7L82.3Confident83.5Confident83 Ų83104.9 Ų104.944%0.43551%0.509SS..Hα-helixtrans-61.9-40.8177.6-70.5173.3000112.3I3 L4 Y10 W11I3-L7 HydrophobicContact CG2-CD1 4.05Å; I3-L7 HydrophobicContact CG2-CG 4.39Å; I3-L7 VanDerWaalsContact O-CG 3.3Å; I3-L7 WeakPolarHBondContact O-CG 3.3Å; I3-L7 PolarHBondContact O-N 3.13Å; L4-L7 PolarHBondContact O-N 3.48Å; L7-Y10 PolarHBondContact O-N 3.47Å; L7-W11 VanDerWaalsContact O-CB 3.25Å; L7-W11 WeakPolarHBondContact O-CB 3.4Å; L7-W11 PolarHBondContact O-N 3.2Å
8E80.6Confident84.1Confident108 Ų108100.6 Ų100.651%0.50549%0.491SS..Hα-helixtrans-64-42.7177-74.3179.1-16900112.6L4 Y6 W11 K12L4-E8 WeakPolarHBondContact O-CG 3.37Å; L4-E8 PolarHBondContact O-N 3.24Å; Y6-E8 PolarHBondContact O-N 3.5Å; E8-W11 PolarHBondContact O-N 3.13Å; E8-K12 WeakPolarHBondContact O-CG 3.44Å; E8-K12 PolarHBondContact O-N 3.34Å
9K84.8Confident84.6Confident164 Ų16495.3 Ų95.371%0.71347%0.466SS*.Hα-helixtrans-64.8-45.9177.5-174177.7179.1-178.80111.2S5 Y6 W11 S13S5-K9 PolarHBondContact O-N 3.35Å; S5-K9 VanDerWaalsContact O-N 3.16Å; Y6-K9 PolarHBondContact O-N 3.05Å; K9-W11 VanDerWaalsContact C-N 3.33Å; K9-W11 PolarHBondContact O-N 3.47Å; K9-S13 PolarHBondContact O-N 2.88Å; K9-S13 VanDerWaalsContact O-N 3.13Å
10Y86.9Confident85.2Confident143 Ų14394.5 Ų94.556%0.56146%0.463SS*.Hα-helixtrans-61-43.6177.6-173.8-103.9000111.5Y6 L7 S13 I14Y6-Y10 WeakPolarHBondContact O-CB 3Å; Y6-Y10 PolarHBondContact O-N 3.13Å; L7-Y10 PolarHBondContact O-N 3.47Å; Y10-S13 WeakPolarHBondContact O-CB 3.43Å; Y10-S13 PolarHBondContact O-N 3.46Å; Y10-I14 HydrophobicContact CD1-CD1 3.72Å; Y10-I14 HydrophobicContact CE1-CD1 3.24Å; Y10-I14 HydrophobicContact CE1-CG1 4.24Å; Y10-I14 PolarHBondContact O-N 3.01Å
11W84.2Confident85.7Confident47 Ų4793.9 Ų93.918%0.17846%0.461CS..Hα-helixtrans-64.3-46.9179.6179.3-123.7000113.5L7 E8 K9 S13 I14 I15 I207 T208 L211L7-W11 VanDerWaalsContact O-CB 3.25Å; L7-W11 WeakPolarHBondContact O-CB 3.4Å; L7-W11 PolarHBondContact O-N 3.2Å; E8-W11 PolarHBondContact O-N 3.13Å; K9-W11 VanDerWaalsContact C-N 3.33Å; K9-W11 PolarHBondContact O-N 3.47Å; W11-S13 PolarHBondContact O-N 3.39Å; W11-I14 HydrophobicContact CE3-CB 4.27Å; W11-I14 HydrophobicContact CE3-CG2 4.33Å; W11-I14 HydrophobicContact CZ3-CB 4.46Å; W11-I14 HydrophobicContact CZ3-CG2 4.02Å; W11-I14 PolarHBondContact O-N 3.33Å; W11-I14 VanDerWaalsContact O-N 3.14Å; W11-I15 HydrophobicContact CD2-CD1 4.06Å; W11-I15 HydrophobicContact CD2-CG1 4.19Å; W11-I15 HydrophobicContact CG-CD1 4.33Å; W11-I15 HydrophobicContact CH2-CG1 4.18Å; W11-I15 HydrophobicContact CZ2-CD1 3.61Å; W11-I15 HydrophobicContact CZ2-CG1 3.74Å; W11-I15 PolarHBondContact O-N 2.92Å; W11-I207 HydrophobicContact CE3-CG2 4.28Å; W11-I207 HydrophobicContact CH2-CB 4.23Å; W11-I207 HydrophobicContact CH2-CG2 3.64Å; W11-I207 HydrophobicContact CZ3-CB 4.28Å; W11-I207 HydrophobicContact CZ3-CG2 3.31Å; W11-T208 WeakPolarHBondContact CH2-OG1 3.48Å; W11-T208 VanDerWaalsContact CZ2-CA 3.5Å; W11-T208 HydrophobicContact CZ2-CG2 4.11Å; W11-L211 HydrophobicContact CB-CD1 4.5Å; W11-L211 HydrophobicContact CD2-CD1 3.12Å; W11-L211 HydrophobicContact CD2-CG 4.43Å; W11-L211 VanDerWaalsContact CE2-CD1 3.44Å; W11-L211 HydrophobicContact CE3-CD1 3.04Å; W11-L211 HydrophobicContact CG-CD1 3.8Å; W11-L211 HydrophobicContact CH2-CD1 3.69Å; W11-L211 HydrophobicContact CZ2-CB 4.32Å; W11-L211 HydrophobicContact CZ2-CD1 3.74Å; W11-L211 HydrophobicContact CZ3-CD1 3.35Å
12K86.2Confident87Confident122 Ų12284.5 Ų84.553%0.5341%0.414SS..Hα-helixtrans-57.7-40.2174.8-74.4174.9-179.5174.20111.5E8 I15 I16E8-K12 WeakPolarHBondContact O-CG 3.44Å; E8-K12 PolarHBondContact O-N 3.34Å; K12-I15 PolarHBondContact O-N 3.49Å; K12-I16 VanDerWaalsContact O-CG1 3.27Å; K12-I16 WeakPolarHBondContact O-CG1 3.31Å; K12-I16 PolarHBondContact O-N 2.99Å
13S88.4Confident87.9Confident72 Ų7278.2 Ų78.250%0.50338%0.384SS..Hα-helixtrans-62.7-41.9176.5-164.90000112.4K9 Y10 W11 L17K9-S13 PolarHBondContact O-N 2.88Å; K9-S13 VanDerWaalsContact O-N 3.13Å; Y10-S13 WeakPolarHBondContact O-CB 3.43Å; Y10-S13 PolarHBondContact O-N 3.46Å; W11-S13 PolarHBondContact O-N 3.39Å; S13-L17 VanDerWaalsContact O-CB 3.31Å; S13-L17 WeakPolarHBondContact O-CB 3.25Å; S13-L17 PolarHBondContact O-N 3.23Å
14I88.8Confident88.7Confident50 Ų5076.3 Ų76.326%0.25638%0.378SS..Hα-helixtrans-62.6-47.5175.3-71.9173.6000110.7Y10 W11 I16 L17 S18Y10-I14 HydrophobicContact CD1-CD1 3.72Å; Y10-I14 HydrophobicContact CE1-CD1 3.24Å; Y10-I14 HydrophobicContact CE1-CG1 4.24Å; Y10-I14 PolarHBondContact O-N 3.01Å; W11-I14 HydrophobicContact CE3-CB 4.27Å; W11-I14 HydrophobicContact CE3-CG2 4.33Å; W11-I14 HydrophobicContact CZ3-CB 4.46Å; W11-I14 HydrophobicContact CZ3-CG2 4.02Å; W11-I14 PolarHBondContact O-N 3.33Å; W11-I14 VanDerWaalsContact O-N 3.14Å; I14-I16 VanDerWaalsContact C-N 3.34Å; I14-I16 PolarHBondContact O-N 3.36Å; I14-L17 PolarHBondContact O-N 2.98Å; I14-S18 WeakPolarHBondContact O-CB 3.41Å; I14-S18 PolarHBondContact O-N 3.18Å; I14-S18 PolarHBondContact O-OG 2.78Å; I14-S18 VanDerWaalsContact O-OG 3.13Å
15I88.9Confident89.6Confident21 Ų2173.3 Ų73.311%0.10836%0.363CS..Hα-helixtrans-59.8-46.3179.5-67.3170.5000110.9W11 K12 N19 L76 Y204W11-I15 HydrophobicContact CD2-CD1 4.06Å; W11-I15 HydrophobicContact CD2-CG1 4.19Å; W11-I15 HydrophobicContact CG-CD1 4.33Å; W11-I15 HydrophobicContact CH2-CG1 4.18Å; W11-I15 HydrophobicContact CZ2-CD1 3.61Å; W11-I15 HydrophobicContact CZ2-CG1 3.74Å; W11-I15 PolarHBondContact O-N 2.92Å; K12-I15 PolarHBondContact O-N 3.49Å; I15-N19 WeakPolarHBondContact CG2-ND2 3.27Å; I15-N19 WeakPolarHBondContact O-CB 3.46Å; I15-N19 PolarHBondContact O-N 3.28Å; I15-N19 PolarHBondContact O-ND2 2.98Å; I15-L76 HydrophobicContact CB-CD2 4.27Å; I15-L76 HydrophobicContact CG2-CD1 4.18Å; I15-L76 HydrophobicContact CG2-CD2 3.72Å; I15-L76 HydrophobicContact CG2-CG 4.2Å; I15-Y204 HydrophobicContact CG1-CE2 4.41Å
16I92Very high90.3Very high68 Ų6870.2 Ų70.235%0.34934%0.342SS..Hα-helixtrans-58.9-52.5178.2-70.3165.2000110K12 I14 N19 L20 F73 L76K12-I16 VanDerWaalsContact O-CG1 3.27Å; K12-I16 WeakPolarHBondContact O-CG1 3.31Å; K12-I16 PolarHBondContact O-N 2.99Å; I14-I16 VanDerWaalsContact C-N 3.34Å; I14-I16 PolarHBondContact O-N 3.36Å; I16-N19 PolarHBondContact O-N 3.14Å; I16-L20 HydrophobicContact CG2-CD1 3.92Å; I16-L20 VanDerWaalsContact O-CG 3.3Å; I16-L20 WeakPolarHBondContact O-CG 3.45Å; I16-L20 PolarHBondContact O-N 3.05Å; I16-F73 HydrophobicContact CG2-CE2 4.23Å; I16-L76 HydrophobicContact CB-CD1 4.4Å; I16-L76 HydrophobicContact CD1-CD1 4.2Å; I16-L76 HydrophobicContact CG1-CD1 3.28Å
17L93.7Very high91Very high103 Ų10366.8 Ų66.854%0.53933%0.334SS..Hα-helixtrans-63.3-46.9-176.2-177.661.2000111.9S13 I14 L20 I21S13-L17 VanDerWaalsContact O-CB 3.31Å; S13-L17 WeakPolarHBondContact O-CB 3.25Å; S13-L17 PolarHBondContact O-N 3.23Å; I14-L17 PolarHBondContact O-N 2.98Å; L17-L20 PolarHBondContact O-N 3.15Å; L17-I21 HydrophobicContact CD1-CD1 4.23Å; L17-I21 HydrophobicContact CG-CD1 3.98Å; L17-I21 VanDerWaalsContact O-CG1 3.29Å; L17-I21 WeakPolarHBondContact O-CG1 3.28Å; L17-I21 PolarHBondContact O-N 2.98Å
18S93.5Very high91.6Very high28 Ų2866.1 Ų66.120%0.19633%0.333CS..Hα-helixtrans-63-42.8179.1-65.50000112.3I14 I21 F22I14-S18 WeakPolarHBondContact O-CB 3.41Å; I14-S18 PolarHBondContact O-N 3.18Å; I14-S18 PolarHBondContact O-OG 2.78Å; I14-S18 VanDerWaalsContact O-OG 3.13Å; S18-I21 PolarHBondContact O-N 2.98Å; S18-F22 VanDerWaalsContact O-CD2 3.23Å; S18-F22 WeakPolarHBondContact O-CD2 3.37Å; S18-F22 VanDerWaalsContact O-CG 3.24Å; S18-F22 WeakPolarHBondContact O-CG 3.3Å; S18-F22 PolarHBondContact O-N 3.32Å
19N94.3Very high92.2Very high0 Ų061.1 Ų61.10%031%0.31CS..Hα-helixtrans-65.5-39.6177-79.8-65.2000112.3I15 I16 I21 F22 I23 S69 H87 Y204I15-N19 WeakPolarHBondContact CG2-ND2 3.27Å; I15-N19 WeakPolarHBondContact O-CB 3.46Å; I15-N19 PolarHBondContact O-N 3.28Å; I15-N19 PolarHBondContact O-ND2 2.98Å; I16-N19 PolarHBondContact O-N 3.14Å; N19-I21 VanDerWaalsContact C-N 3.35Å; N19-F22 PolarHBondContact O-N 2.95Å; N19-I23 VanDerWaalsContact O-CG1 3.22Å; N19-I23 WeakPolarHBondContact O-CG1 3.24Å; N19-I23 PolarHBondContact O-N 3.07Å; N19-S69 WeakPolarHBondContact OD1-CA 3.48Å; N19-S69 PolarHBondContact OD1-O 3.35Å; N19-H87 PolarHBondContact OD1-CE1 3.43Å; N19-Y204 PolarHBondContact ND2-OH 3.39Å; N19-Y204 VanDerWaalsContact ND2-OH 3.13Å
20L95.4Very high92.6Very high78 Ų7855 Ų5541%0.40828%0.284SS..Hα-helixtrans-62.5-43174-70.3173.9000111.5I16 L17 F22 I23 V24 F73I16-L20 HydrophobicContact CG2-CD1 3.92Å; I16-L20 VanDerWaalsContact O-CG 3.3Å; I16-L20 WeakPolarHBondContact O-CG 3.45Å; I16-L20 PolarHBondContact O-N 3.05Å; L17-L20 PolarHBondContact O-N 3.15Å; L20-F22 VanDerWaalsContact C-N 3.33Å; L20-F22 PolarHBondContact O-N 3.16Å; L20-I23 PolarHBondContact O-N 2.9Å; L20-V24 WeakPolarHBondContact O-CG2 3.29Å; L20-V24 PolarHBondContact O-N 3.45Å; L20-F73 HydrophobicContact CD2-CD2 4.34Å; L20-F73 HydrophobicContact CD2-CE2 4.2Å; L20-F73 HydrophobicContact CG-CE2 4.46Å
21I95.9Very high93Very high83 Ų8351.5 Ų51.543%0.42628%0.281SS..Hα-helixtrans-58.8-45.6174.5-70.2165.7000110.5L17 S18 N19 V24 S25L17-I21 HydrophobicContact CD1-CD1 4.23Å; L17-I21 HydrophobicContact CG-CD1 3.98Å; L17-I21 VanDerWaalsContact O-CG1 3.29Å; L17-I21 WeakPolarHBondContact O-CG1 3.28Å; L17-I21 PolarHBondContact O-N 2.98Å; S18-I21 PolarHBondContact O-N 2.98Å; N19-I21 VanDerWaalsContact C-N 3.35Å; I21-V24 PolarHBondContact O-N 3.09Å; I21-S25 WeakPolarHBondContact O-CB 3.48Å; I21-S25 PolarHBondContact O-N 3.33Å; I21-S25 PolarHBondContact O-OG 3.39Å
22F96.1Very high93.4Very high8 Ų852.2 Ų52.24%0.03529%0.288CS..Hα-helixtrans-68.7-34.5-179.6-64.1-33.1000113.7S18 N19 L20 S25 G26 S69 L91 L200 K201 Y204S18-F22 VanDerWaalsContact O-CD2 3.23Å; S18-F22 WeakPolarHBondContact O-CD2 3.37Å; S18-F22 VanDerWaalsContact O-CG 3.24Å; S18-F22 WeakPolarHBondContact O-CG 3.3Å; S18-F22 PolarHBondContact O-N 3.32Å; N19-F22 PolarHBondContact O-N 2.95Å; L20-F22 VanDerWaalsContact C-N 3.33Å; L20-F22 PolarHBondContact O-N 3.16Å; F22-S25 VanDerWaalsContact CA-OG 3.32Å; F22-S25 WeakPolarHBondContact CA-OG 3.39Å; F22-S25 PolarHBondContact O-OG 3.32Å; F22-G26 PolarHBondContact O-N 3.04Å; F22-S69 WeakPolarHBondContact CB-OG 3.31Å; F22-L91 HydrophobicContact CD2-CD1 4.43Å; F22-L91 HydrophobicContact CD2-CD2 4.48Å; F22-L91 HydrophobicContact CE2-CD1 4.43Å; F22-L200 HydrophobicContact CE1-CB 4.24Å; F22-K201 HydrophobicContact CD1-CG 4.38Å; F22-K201 HydrophobicContact CE1-CG 3.91Å; F22-K201 HydrophobicContact CE2-CG 4.25Å; F22-K201 HydrophobicContact CZ-CG 3.84Å; F22-Y204 AromaticContact CE2-CD1 3.99Å; F22-Y204 HydrophobicContact CE2-CD1 3.99Å; F22-Y204 HydrophobicContact CE2-CD2 4.33Å; F22-Y204 AromaticContact CE2-CG 3.87Å; F22-Y204 HydrophobicContact CE2-CG 3.87Å; F22-Y204 HydrophobicContact CZ-CG 4.38Å
23I96.8Very high93.7Very high30 Ų3046.4 Ų46.415%0.15426%0.263CS..Hα-helixtrans-63.8-51172.3-69.1165.1000109.6N19 L20 S25 G26 I27 L70N19-I23 VanDerWaalsContact O-CG1 3.22Å; N19-I23 WeakPolarHBondContact O-CG1 3.24Å; N19-I23 PolarHBondContact O-N 3.07Å; L20-I23 PolarHBondContact O-N 2.9Å; I23-S25 PolarHBondContact O-N 3.38Å; I23-G26 PolarHBondContact O-N 3.09Å; I23-I27 HydrophobicContact CG2-CD1 3.99Å; I23-I27 WeakPolarHBondContact O-CG1 3.35Å; I23-I27 PolarHBondContact O-N 3.31Å; I23-L70 HydrophobicContact CD1-CB 4.43Å; I23-L70 HydrophobicContact CD1-CD1 4.44Å
24V96.4Very high94Very high89 Ų8946.8 Ų46.854%0.53926%0.259SS..Hα-helixtrans-62.5-45.5-179.5173.30000110.8L20 I21 G26 I27 V28L20-V24 WeakPolarHBondContact O-CG2 3.29Å; L20-V24 PolarHBondContact O-N 3.45Å; I21-V24 PolarHBondContact O-N 3.09Å; V24-G26 VanDerWaalsContact C-N 3.31Å; V24-G26 PolarHBondContact O-N 3.16Å; V24-I27 PolarHBondContact O-N 3.19Å; V24-V28 WeakPolarHBondContact O-CG2 3.25Å; V24-V28 PolarHBondContact O-N 3.44Å
25S94.6Very high94.3Very high11 Ų1149 Ų498%0.07727%0.271CS..Hα-helixtrans-63-38.9177.5650000112.4I21 F22 I23 V28 F29 F197I21-S25 WeakPolarHBondContact O-CB 3.48Å; I21-S25 PolarHBondContact O-N 3.33Å; I21-S25 PolarHBondContact O-OG 3.39Å; F22-S25 VanDerWaalsContact CA-OG 3.32Å; F22-S25 WeakPolarHBondContact CA-OG 3.39Å; F22-S25 PolarHBondContact O-OG 3.32Å; I23-S25 PolarHBondContact O-N 3.38Å; S25-V28 PolarHBondContact O-N 3.02Å; S25-F29 WeakPolarHBondContact O-CB 3.33Å; S25-F29 WeakPolarHBondContact O-CG 3.39Å; S25-F29 PolarHBondContact O-N 3.47Å; S25-F197 WeakPolarHBondContact OG-CE1 3.36Å
26G95.7Very high94.3Very high3 Ų348.7 Ų48.73%0.03127%0.269CS..Hα-helixtrans-64.6-39.9176.400000112.4F22 I23 V24 F29 L30 S66F22-G26 PolarHBondContact O-N 3.04Å; I23-G26 PolarHBondContact O-N 3.09Å; V24-G26 VanDerWaalsContact C-N 3.31Å; V24-G26 PolarHBondContact O-N 3.16Å; G26-F29 PolarHBondContact O-N 2.82Å; G26-L30 VanDerWaalsContact O-CG 3.25Å; G26-L30 WeakPolarHBondContact O-CG 3.38Å; G26-L30 PolarHBondContact O-N 3.27Å; G26-S66 VanDerWaalsContact CA-OG 3.25Å; G26-S66 WeakPolarHBondContact CA-OG 3.35Å
27I95.8Very high94.3Very high91 Ų9147.9 Ų47.947%0.46727%0.265SS..Hα-helixtrans-62.2-44.5172.2-65.9165.7000110.9I23 V24 F29 L30 S31I23-I27 HydrophobicContact CG2-CD1 3.99Å; I23-I27 WeakPolarHBondContact O-CG1 3.35Å; I23-I27 PolarHBondContact O-N 3.31Å; V24-I27 PolarHBondContact O-N 3.19Å; I27-F29 VanDerWaalsContact C-N 3.33Å; I27-F29 PolarHBondContact O-N 3.28Å; I27-L30 WeakPolarHBondContact O-CB 3.47Å; I27-L30 PolarHBondContact O-N 3.04Å; I27-S31 PolarHBondContact O-N 2.84Å; I27-S31 PolarHBondContact O-OG 2.77Å; I27-S31 VanDerWaalsContact O-OG 3.14Å
28V94.6Very high94.3Very high70 Ų7047.4 Ų47.442%0.42426%0.263SS..Hα-helixtrans-59.2-45.2176.5170.40000111V24 S25 L30 S31 L32V24-V28 WeakPolarHBondContact O-CG2 3.25Å; V24-V28 PolarHBondContact O-N 3.44Å; S25-V28 PolarHBondContact O-N 3.02Å; V28-L30 VanDerWaalsContact C-N 3.33Å; V28-L30 PolarHBondContact O-N 3.42Å; V28-S31 PolarHBondContact O-N 3.31Å; V28-L32 HydrophobicContact CG1-CD1 3.83Å; V28-L32 HydrophobicContact CG1-CG 4.23Å; V28-L32 WeakPolarHBondContact O-CB 3.33Å; V28-L32 VanDerWaalsContact O-CG 3.31Å; V28-L32 WeakPolarHBondContact O-CG 3.22Å; V28-L32 PolarHBondContact O-N 3.44Å
29F93.5Very high94.2Very high3 Ų348.6 Ų48.61%0.01326%0.264CS..Hα-helixtrans-61.3-39.5176.8-70.9-13.2000113.1S25 G26 I27 G33 M58 L193 F197S25-F29 WeakPolarHBondContact O-CB 3.33Å; S25-F29 WeakPolarHBondContact O-CG 3.39Å; S25-F29 PolarHBondContact O-N 3.47Å; G26-F29 PolarHBondContact O-N 2.82Å; I27-F29 VanDerWaalsContact C-N 3.33Å; I27-F29 PolarHBondContact O-N 3.28Å; F29-G33 PolarHBondContact O-N 3.02Å; F29-M58 HydrophobicContact CB-CE 3.82Å; F29-M58 HydrophobicContact CB-CG 4.14Å; F29-M58 HydrophobicContact CD1-CE 3.27Å; F29-M58 HydrophobicContact CD2-CE 3.12Å; F29-M58 HydrophobicContact CE1-CE 3.28Å; F29-M58 HydrophobicContact CE2-CE 3.13Å; F29-M58 HydrophobicContact CG-CE 3.13Å; F29-M58 HydrophobicContact CG-CG 4.43Å; F29-M58 HydrophobicContact CZ-CE 3.15Å; F29-L193 HydrophobicContact CE1-CB 4Å; F29-L193 HydrophobicContact CE1-CD1 4.19Å; F29-L193 HydrophobicContact CZ-CB 4.01Å; F29-F197 HydrophobicContact CE1-CD2 4.13Å; F29-F197 AromaticContact CE1-CE2 3.94Å; F29-F197 HydrophobicContact CE1-CE2 3.94Å; F29-F197 HydrophobicContact CE2-CB 4.36Å; F29-F197 AromaticContact CE2-CD2 3.81Å; F29-F197 HydrophobicContact CE2-CD2 3.81Å; F29-F197 HydrophobicContact CE2-CE2 4.25Å; F29-F197 HydrophobicContact CE2-CG 4.07Å; F29-F197 HydrophobicContact CZ-CB 4.49Å; F29-F197 AromaticContact CZ-CD2 3.22Å; F29-F197 HydrophobicContact CZ-CD2 3.22Å; F29-F197 AromaticContact CZ-CE2 3.47Å; F29-F197 HydrophobicContact CZ-CE2 3.47Å; F29-F197 VanDerWaalsContact CZ-CE2 3.47Å; F29-F197 AromaticContact CZ-CG 3.95Å; F29-F197 HydrophobicContact CZ-CG 3.95Å; F29-F197 HydrophobicContact CZ-CZ 4.41Å
30L93.7Very high93.9Very high34 Ų3449 Ų4918%0.17827%0.266CS..Hα-helixtrans-62.8-49.2173.1-68.8168.6000111.6G26 I27 V28 G33 I34 I59 T63G26-L30 VanDerWaalsContact O-CG 3.25Å; G26-L30 WeakPolarHBondContact O-CG 3.38Å; G26-L30 PolarHBondContact O-N 3.27Å; I27-L30 WeakPolarHBondContact O-CB 3.47Å; I27-L30 PolarHBondContact O-N 3.04Å; V28-L30 VanDerWaalsContact C-N 3.33Å; V28-L30 PolarHBondContact O-N 3.42Å; L30-G33 PolarHBondContact O-N 2.95Å; L30-I34 WeakPolarHBondContact O-CB 3.35Å; L30-I34 WeakPolarHBondContact O-CD1 3.5Å; L30-I34 WeakPolarHBondContact O-CG1 3.37Å; L30-I34 PolarHBondContact O-N 3.13Å; L30-I59 HydrophobicContact CD2-CB 4.48Å; L30-I59 HydrophobicContact CD2-CG2 3.85Å; L30-I59 WeakPolarHBondContact CD2-O 3.32Å; L30-T63 HydrophobicContact CD1-CG2 4.08Å; L30-T63 HydrophobicContact CD2-CG2 3.29Å; L30-T63 HydrophobicContact CG-CG2 4.3Å
31S94Very high93.7Very high70 Ų7047.7 Ų47.749%0.4926%0.263SS..Hα-helixtrans-61.9-46.5-179.6-59.40000112.2I27 V28 N35I27-S31 PolarHBondContact O-N 2.84Å; I27-S31 PolarHBondContact O-OG 2.77Å; I27-S31 VanDerWaalsContact O-OG 3.14Å; V28-S31 PolarHBondContact O-N 3.31Å; S31-N35 VanDerWaalsContact O-CB 3.28Å; S31-N35 WeakPolarHBondContact O-CB 3.32Å; S31-N35 PolarHBondContact O-N 3.48Å
32L93.1Very high93.6Very high62 Ų6249.5 Ų49.533%0.32527%0.268SS..Hα-helixtrans-61.7-46.2176.8-69.7175.6000111.5V28 N35 E36 Y186 L190V28-L32 HydrophobicContact CG1-CD1 3.83Å; V28-L32 HydrophobicContact CG1-CG 4.23Å; V28-L32 WeakPolarHBondContact O-CB 3.33Å; V28-L32 VanDerWaalsContact O-CG 3.31Å; V28-L32 WeakPolarHBondContact O-CG 3.22Å; V28-L32 PolarHBondContact O-N 3.44Å; L32-N35 PolarHBondContact O-N 3.34Å; L32-E36 PolarHBondContact O-N 2.9Å; L32-Y186 PolarHBondContact O-OH 2.94Å; L32-L190 HydrophobicContact CD1-CD2 4.44Å
33G92.6Very high93.5Very high0 Ų049.3 Ų49.30%027%0.267CS..Hα-helixtrans-62.3-45.7179.100000112.9F29 L30 L37 I55F29-G33 PolarHBondContact O-N 3.02Å; L30-G33 PolarHBondContact O-N 2.95Å; G33-L37 VanDerWaalsContact O-CB 3.26Å; G33-L37 WeakPolarHBondContact O-CB 3.46Å; G33-L37 PolarHBondContact O-N 2.98Å; G33-I55 WeakPolarHBondContact O-CG2 3.29Å
34I94.5Very high93.3Very high81 Ų8149.4 Ų49.442%0.41527%0.268SS..Hα-helixtrans-66.7-43.8178.9-67.2165.9000111L30 E36 L37 N38 I59L30-I34 WeakPolarHBondContact O-CB 3.35Å; L30-I34 WeakPolarHBondContact O-CD1 3.5Å; L30-I34 WeakPolarHBondContact O-CG1 3.37Å; L30-I34 PolarHBondContact O-N 3.13Å; I34-E36 PolarHBondContact O-N 3.4Å; I34-L37 PolarHBondContact O-N 3.21Å; I34-N38 WeakPolarHBondContact O-CB 3.36Å; I34-N38 VanDerWaalsContact O-CG 3.31Å; I34-N38 PolarHBondContact O-N 2.93Å; I34-I59 HydrophobicContact CG1-CD1 4.21Å; I34-I59 HydrophobicContact CG1-CG1 4.48Å
35N94.2Very high93.2Very high97 Ų9747.9 Ų47.952%0.51926%0.256SS..Hα-helixtrans-59.3-49.4179.1-174.872000111.3S31 L32 N38 Y39S31-N35 VanDerWaalsContact O-CB 3.28Å; S31-N35 WeakPolarHBondContact O-CB 3.32Å; S31-N35 PolarHBondContact O-N 3.48Å; L32-N35 PolarHBondContact O-N 3.34Å; N35-N38 PolarHBondContact O-N 3.35Å; N35-Y39 WeakPolarHBondContact O-CB 3.36Å; N35-Y39 PolarHBondContact O-N 3.47Å
36E90.8Very high93.3Very high13 Ų1347.3 Ų47.36%0.06125%0.252CS..Hα-helixtrans-69.5-34.1178.6-70.6-40.3120.100113.2L32 I34 N38 Y39 I40 I55 Y182 Y186L32-E36 PolarHBondContact O-N 2.9Å; I34-E36 PolarHBondContact O-N 3.4Å; E36-N38 VanDerWaalsContact C-N 3.29Å; E36-N38 PolarHBondContact O-N 2.99Å; E36-Y39 PolarHBondContact O-N 3.46Å; E36-I40 WeakPolarHBondContact O-CB 3.37Å; E36-I40 WeakPolarHBondContact O-CG1 3.23Å; E36-I40 PolarHBondContact O-N 2.93Å; E36-I55 HydrophobicContact CB-CD1 4.1Å; E36-Y182 PolarHBondContact OE1-OH 2.94Å; E36-Y182 PolarHBondContact OE2-OH 2.95Å; E36-Y186 HydrophobicContact CB-CE1 4.21Å; E36-Y186 HydrophobicContact CG-CD1 4.29Å; E36-Y186 HydrophobicContact CG-CD2 4.17Å; E36-Y186 HydrophobicContact CG-CE1 3.58Å; E36-Y186 HydrophobicContact CG-CE2 3.46Å; E36-Y186 VanDerWaalsContact CG-CE2 3.46Å; E36-Y186 WeakPolarHBondContact CG-OH 3.22Å
37L91.2Very high93.2Very high51 Ų5147.2 Ų47.227%0.26725%0.251SS..Hα-helixtrans-60.2-43.6174.5-177.661.3000111G33 I34 Y39 S41 K51 I55 I59G33-L37 VanDerWaalsContact O-CB 3.26Å; G33-L37 WeakPolarHBondContact O-CB 3.46Å; G33-L37 PolarHBondContact O-N 2.98Å; I34-L37 PolarHBondContact O-N 3.21Å; L37-Y39 VanDerWaalsContact C-N 3.33Å; L37-S41 VanDerWaalsContact O-CB 3.31Å; L37-S41 WeakPolarHBondContact O-CB 3.4Å; L37-S41 PolarHBondContact O-N 2.97Å; L37-S41 PolarHBondContact O-OG 2.9Å; L37-K51 HydrophobicContact CD1-CD 4.32Å; L37-I55 HydrophobicContact CB-CG2 4.01Å; L37-I59 HydrophobicContact CD2-CD1 4.1Å
38N92.9Very high93.1Very high94 Ų9446 Ų4650%0.50324%0.243SC..Hα-helixtrans-70.6-27.5176.1-70.3-12000112.9I34 N35 E36 S41I34-N38 WeakPolarHBondContact O-CB 3.36Å; I34-N38 VanDerWaalsContact O-CG 3.31Å; I34-N38 PolarHBondContact O-N 2.93Å; N35-N38 PolarHBondContact O-N 3.35Å; E36-N38 VanDerWaalsContact C-N 3.29Å; E36-N38 PolarHBondContact O-N 2.99Å; N38-S41 WeakPolarHBondContact CA-OG 3.24Å; N38-S41 PolarHBondContact O-OG 3.36Å
39Y91.5Very high92.9Very high52 Ų5248.2 Ų48.220%0.20425%0.252CS..Hα-helixtrans-75.1-51.3176.5-171.8-99.8000111.1N35 E36 L37 S41 K42 F43 F144 Y182N35-Y39 WeakPolarHBondContact O-CB 3.36Å; N35-Y39 PolarHBondContact O-N 3.47Å; E36-Y39 PolarHBondContact O-N 3.46Å; L37-Y39 VanDerWaalsContact C-N 3.33Å; Y39-S41 PolarHBondContact O-N 3.4Å; Y39-K42 WeakPolarHBondContact O-CB 3.26Å; Y39-K42 PolarHBondContact O-N 3.44Å; Y39-F43 HydrophobicContact CD1-CE2 4.35Å; Y39-F43 AromaticContact CE1-CE2 3.9Å; Y39-F43 HydrophobicContact CE1-CE2 3.9Å; Y39-F144 HydrophobicContact CE1-CE2 4.1Å; Y39-F144 AromaticContact CE1-CZ 3.86Å; Y39-F144 HydrophobicContact CE1-CZ 3.86Å; Y39-F144 WeakPolarHBondContact OH-CE2 3.48Å; Y39-Y182 HydrophobicContact CD1-CE1 4.4Å; Y39-Y182 HydrophobicContact CE1-CE1 4.2Å
40I89.2Confident92.7Very high9 Ų948.9 Ų48.95%0.04626%0.257CS..Hα-helixtrans-64.2-29177.2-64.7-65.7000111.4E36 K42 F43 K51 I55 I183E36-I40 WeakPolarHBondContact O-CB 3.37Å; E36-I40 WeakPolarHBondContact O-CG1 3.23Å; E36-I40 PolarHBondContact O-N 2.93Å; I40-K42 PolarHBondContact O-N 3.23Å; I40-F43 PolarHBondContact O-N 2.89Å; I40-K51 HydrophobicContact CG2-CG 4.25Å; I40-I55 HydrophobicContact CG1-CD1 4.31Å; I40-I183 HydrophobicContact CD1-CD1 3.94Å; I40-I183 HydrophobicContact CD1-CG1 4.49Å
41S91Very high92.4Very high50 Ų5051.3 Ų51.335%0.3527%0.266SS..G310 helixtrans-60.8-18.9177.866.20000113.9L37 N38 Y39 F43L37-S41 VanDerWaalsContact O-CB 3.31Å; L37-S41 WeakPolarHBondContact O-CB 3.4Å; L37-S41 PolarHBondContact O-N 2.97Å; L37-S41 PolarHBondContact O-OG 2.9Å; N38-S41 WeakPolarHBondContact CA-OG 3.24Å; N38-S41 PolarHBondContact O-OG 3.36Å; Y39-S41 PolarHBondContact O-N 3.4Å; S41-F43 PolarHBondContact O-N 3.42Å
42K93Very high92.2Very high122 Ų12248.2 Ų48.253%0.5324%0.244SC..G310 helixtrans-75.6-9.7177.1-60.5178.1-178.5178.10114.2Y39 I40 E136Y39-K42 WeakPolarHBondContact O-CB 3.26Å; Y39-K42 PolarHBondContact O-N 3.44Å; I40-K42 PolarHBondContact O-N 3.23Å; K42-E136 VanDerWaalsContact O-CG 3.32Å; K42-E136 WeakPolarHBondContact O-CG 3.47Å
43F93.7Very high92Very high4 Ų449 Ų492%0.01825%0.248CC..G310 helixtrans-128.722.6-174.1-49.9-61.1000111.9Y39 I40 S41 I45 I46 L47 E136 N139 L140 F144Y39-F43 HydrophobicContact CD1-CE2 4.35Å; Y39-F43 AromaticContact CE1-CE2 3.9Å; Y39-F43 HydrophobicContact CE1-CE2 3.9Å; I40-F43 PolarHBondContact O-N 2.89Å; S41-F43 PolarHBondContact O-N 3.42Å; F43-I45 PolarHBondContact O-N 3.04Å; F43-I46 HydrophobicContact CB-CD1 4.09Å; F43-I46 HydrophobicContact CB-CG1 4.01Å; F43-I46 HydrophobicContact CD1-CD1 4.16Å; F43-I46 WeakPolarHBondContact O-CG1 3.28Å; F43-L47 HydrophobicContact CB-CD1 3.94Å; F43-L47 HydrophobicContact CB-CG 4.29Å; F43-L47 VanDerWaalsContact O-CB 3.22Å; F43-L47 WeakPolarHBondContact O-CB 3.37Å; F43-L47 WeakPolarHBondContact O-CG 3.35Å; F43-L47 PolarHBondContact O-N 2.97Å; F43-L47 VanDerWaalsContact O-N 3.08Å; F43-E136 VanDerWaalsContact CA-OE2 3.28Å; F43-E136 WeakPolarHBondContact CA-OE2 3.41Å; F43-N139 HydrophobicContact CE1-CB 4.16Å; F43-L140 HydrophobicContact CD1-CB 3.98Å; F43-L140 HydrophobicContact CD1-CD1 3.99Å; F43-L140 HydrophobicContact CD2-CD1 4.34Å; F43-L140 HydrophobicContact CE1-CB 3.79Å; F43-L140 HydrophobicContact CE1-CD1 3.91Å; F43-L140 HydrophobicContact CE2-CD1 4.26Å; F43-L140 HydrophobicContact CG-CD1 4.22Å; F43-L140 HydrophobicContact CZ-CD1 4.04Å; F43-F144 HydrophobicContact CE2-CE2 4.22Å; F43-F144 HydrophobicContact CZ-CE2 4.39Å
44L92.6Very high91.9Very high32 Ų3249.1 Ų49.117%0.16825%0.248CC..THydrogen-bonded Turntrans-69.1-36.9-170.9-72.9172.7000112.7L47 H48 N49 K51 E136L44-L47 CarbonylContact O-C 3.5Å; L44-L47 PolarHBondContact O-N 3.39Å; L44-H48 PolarHBondContact O-N 3.21Å; L44-N49 PolarHBondContact O-N 3.21Å; L44-K51 HydrophobicContact CD2-CD 4.35Å; L44-K51 HydrophobicContact CD2-CG 4.19Å; L44-E136 PolarHBondContact N-OE1 2.99Å; L44-E136 PolarHBondContact N-OE2 2.79Å
45I94.7Very high91.7Very high56 Ų5645.6 Ų45.629%0.28723%0.23SC..THydrogen-bonded Turntrans-68.9-48.8-176.6-58.1168.5000108.2F43 L47 H48 E132 I133 E136F43-I45 PolarHBondContact O-N 3.04Å; I45-L47 VanDerWaalsContact C-N 3.25Å; I45-L47 PolarHBondContact O-N 3.35Å; I45-H48 PolarHBondContact O-CD2 2.89Å; I45-H48 PolarHBondContact O-N 3.18Å; I45-H48 VanDerWaalsContact O-N 3.12Å; I45-E132 HydrophobicContact CD1-CB 3.59Å; I45-E132 HydrophobicContact CD1-CG 4.33Å; I45-E132 WeakPolarHBondContact CD1-OE2 3.19Å; I45-I133 HydrophobicContact CG2-CD1 4.43Å; I45-I133 HydrophobicContact CG2-CG1 3.69Å; I45-E136 WeakPolarHBondContact CA-OE2 3.42Å; I45-E136 WeakPolarHBondContact CB-OE2 3.2Å; I45-E136 WeakPolarHBondContact CG1-OE1 3.43Å; I45-E136 PolarHBondContact N-OE1 3.32Å; I45-E136 PolarHBondContact N-OE2 3.4Å
46I96.1Very high91.6Very high0 Ų043.9 Ų43.90%023%0.225CC..THydrogen-bonded Turntrans-71.1-20.6-179.166.6176.3000113.7F43 S119 L120 S123 I133 E136 Y137 L140F43-I46 HydrophobicContact CB-CD1 4.09Å; F43-I46 HydrophobicContact CB-CG1 4.01Å; F43-I46 HydrophobicContact CD1-CD1 4.16Å; F43-I46 WeakPolarHBondContact O-CG1 3.28Å; I46-S119 CarbonylContact O-C 3.58Å; I46-L120 HydrophobicContact CB-CD2 4.3Å; I46-L120 HydrophobicContact CD1-CD2 3.99Å; I46-L120 HydrophobicContact CG1-CD2 4.14Å; I46-S123 WeakPolarHBondContact CA-OG 3.33Å; I46-S123 PolarHBondContact O-OG 2.81Å; I46-S123 VanDerWaalsContact O-OG 3.08Å; I46-I133 HydrophobicContact CG2-CB 4.43Å; I46-I133 HydrophobicContact CG2-CG2 4.12Å; I46-E136 HydrophobicContact CD1-CB 4.11Å; I46-E136 HydrophobicContact CG1-CB 4.26Å; I46-E136 HydrophobicContact CG2-CB 3.71Å; I46-E136 PolarHBondContact N-OE2 3.29Å; I46-Y137 HydrophobicContact CB-CD2 4.24Å; I46-Y137 HydrophobicContact CB-CE2 4.38Å; I46-Y137 HydrophobicContact CD1-CD2 4.46Å; I46-Y137 HydrophobicContact CG2-CD2 3.74Å; I46-Y137 HydrophobicContact CG2-CE2 4.33Å; I46-L140 HydrophobicContact CD1-CB 4.1Å; I46-L140 HydrophobicContact CD1-CD2 3.71Å; I46-L140 HydrophobicContact CD1-CG 4.43Å
47L94.7Very high91.7Very high1 Ų145.2 Ų45.21%0.00523%0.232CC..THydrogen-bonded Turntrans-96.86.6174.7-64.9176.6000112.9F43 L44 I45 N49 T50 V116 L120 I179F43-L47 HydrophobicContact CB-CD1 3.94Å; F43-L47 HydrophobicContact CB-CG 4.29Å; F43-L47 VanDerWaalsContact O-CB 3.22Å; F43-L47 WeakPolarHBondContact O-CB 3.37Å; F43-L47 WeakPolarHBondContact O-CG 3.35Å; F43-L47 PolarHBondContact O-N 2.97Å; F43-L47 VanDerWaalsContact O-N 3.08Å; L44-L47 CarbonylContact O-C 3.5Å; L44-L47 PolarHBondContact O-N 3.39Å; I45-L47 VanDerWaalsContact C-N 3.25Å; I45-L47 PolarHBondContact O-N 3.35Å; L47-N49 VanDerWaalsContact C-N 3.27Å; L47-N49 PolarHBondContact O-N 3.34Å; L47-T50 WeakPolarHBondContact O-CB 3.34Å; L47-T50 PolarHBondContact O-N 3.28Å; L47-T50 PolarHBondContact O-OG1 3.21Å; L47-V116 HydrophobicContact CD2-CB 4.46Å; L47-V116 HydrophobicContact CD2-CG1 3.91Å; L47-V116 HydrophobicContact CD2-CG2 4.31Å; L47-L120 HydrophobicContact CD2-CD1 4.5Å; L47-L120 HydrophobicContact CD2-CD2 4.11Å; L47-L120 HydrophobicContact CD2-CG 4.04Å; L47-I179 HydrophobicContact CD2-CD1 4.14Å
48H94.3Very high91.6Very high65 Ų6542.8 Ų42.830%0.30122%0.219SC..THydrogen-bonded Turntrans49.446.3-177.5-60165.5000113.1L44 I45 T50 S119 E122 S123L44-H48 PolarHBondContact O-N 3.21Å; I45-H48 PolarHBondContact O-CD2 2.89Å; I45-H48 PolarHBondContact O-N 3.18Å; I45-H48 VanDerWaalsContact O-N 3.12Å; H48-T50 PolarHBondContact O-N 3.38Å; H48-T50 VanDerWaalsContact O-N 3.09Å; H48-S119 PolarHBondContact ND1-OG 3.48Å; H48-E122 IonicContact CE1-OE2 3.54Å; H48-E122 PolarHBondContact CE1-OE2 3.45Å; H48-E122 VanDerWaalsContact CE1-OE2 3.24Å; H48-E122 IonicContact ND1-OE2 3.36Å; H48-S123 PolarHBondContact NE2-OG 3.45Å
49N89.9Confident91.6Very high116 Ų11640 Ų4062%0.6220%0.203SC*.THydrogen-bonded Turntrans58.718.6-177.3-67.339.9000114.8L44 L47 K51L44-N49 PolarHBondContact O-N 3.21Å; L47-N49 VanDerWaalsContact C-N 3.27Å; L47-N49 PolarHBondContact O-N 3.34Å; N49-K51 PolarHBondContact O-N 2.96Å
50T89.1Confident91.7Very high17 Ų1740.8 Ų40.810%0.10421%0.214CC..  trans-72.6116.7179.3-56.70000110.2L47 H48 F112 K115 V116L47-T50 WeakPolarHBondContact O-CB 3.34Å; L47-T50 PolarHBondContact O-N 3.28Å; L47-T50 PolarHBondContact O-OG1 3.21Å; H48-T50 PolarHBondContact O-N 3.38Å; H48-T50 VanDerWaalsContact O-N 3.09Å; T50-F112 HydrophobicContact CG2-CD2 3.62Å; T50-F112 HydrophobicContact CG2-CE2 3.54Å; T50-F112 HydrophobicContact CG2-CZ 4.46Å; T50-K115 HydrophobicContact CG2-CB 4.04Å; T50-K115 HydrophobicContact CG2-CG 3.7Å; T50-K115 WeakPolarHBondContact OG1-CG 3.48Å; T50-V116 HydrophobicContact CG2-CG2 4.21Å
51K87.6Confident91.9Very high86 Ų8640.4 Ų40.437%0.37421%0.212SC..  trans-125.8141.4179.4-66177.9-178.5177.50110.9L37 I40 L44 N49 I53 F112L37-K51 HydrophobicContact CD1-CD 4.32Å; I40-K51 HydrophobicContact CG2-CG 4.25Å; L44-K51 HydrophobicContact CD2-CD 4.35Å; L44-K51 HydrophobicContact CD2-CG 4.19Å; N49-K51 PolarHBondContact O-N 2.96Å; K51-I53 PolarHBondContact O-N 3.13Å; K51-F112 VanDerWaalsContact C-CE2 3.46Å
52P89.2Confident92Very high4 Ų438.1 Ų38.13%0.02620%0.196CC..  trans-61129.6170.4-21.231.2000111.3I54 I55 P56 F112 I183 I187P52-I54 HydrophobicContact CB-CG2 4.09Å; P52-I54 PolarHBondContact O-N 2.82Å; P52-I55 HydrophobicContact CB-CD1 4.18Å; P52-I55 HydrophobicContact CB-CG1 4.22Å; P52-I55 HydrophobicContact CG-CD1 3.92Å; P52-I55 HydrophobicContact CG-CG1 4.49Å; P52-I55 PolarHBondContact O-N 2.94Å; P52-P56 WeakPolarHBondContact O-CD 3.45Å; P52-F112 HydrophobicContact CB-CE2 4.35Å; P52-F112 VanDerWaalsContact CD-CE2 3.44Å; P52-F112 HydrophobicContact CG-CD2 4.43Å; P52-F112 HydrophobicContact CG-CE1 4.19Å; P52-F112 HydrophobicContact CG-CE2 3.69Å; P52-F112 HydrophobicContact CG-CZ 3.57Å; P52-F112 VanDerWaalsContact N-CE2 3.33Å; P52-I183 HydrophobicContact CG-CG2 3.9Å; P52-I187 HydrophobicContact CB-CD1 3.98Å; P52-I187 HydrophobicContact CB-CG1 4.26Å; P52-I187 HydrophobicContact CG-CD1 4.31Å
53I89Confident92.1Very high80 Ų8034.9 Ų34.941%0.4119%0.187SC..THydrogen-bonded Turntrans-58.8-31.9-179.8-66.6168000111.8K51 I55 P56 I57 I104K51-I53 PolarHBondContact O-N 3.13Å; I53-I55 VanDerWaalsContact C-N 3.29Å; I53-I55 PolarHBondContact O-N 3.36Å; I53-P56 VanDerWaalsContact O-CD 3.31Å; I53-P56 WeakPolarHBondContact O-CD 3.36Å; I53-P56 WeakPolarHBondContact O-CG 3.31Å; I53-I57 HydrophobicContact CG2-CD1 3.49Å; I53-I57 VanDerWaalsContact CG2-CD1 3.49Å; I53-I57 HydrophobicContact CG2-CG1 4.39Å; I53-I57 WeakPolarHBondContact O-CG1 3.29Å; I53-I104 HydrophobicContact CD1-CG2 4.47Å; I53-I104 HydrophobicContact CG2-CG2 4.33Å
54I90.4Very high92.2Very high2 Ų237.2 Ų37.21%0.0120%0.199CC..Hα-helixtrans-61.7-32.7-177.9-163.5158.3000113.1P52 M58 T101 I187 L190 M191P52-I54 HydrophobicContact CB-CG2 4.09Å; P52-I54 PolarHBondContact O-N 2.82Å; I54-M58 VanDerWaalsContact O-CB 3.29Å; I54-M58 WeakPolarHBondContact O-CB 3.31Å; I54-M58 PolarHBondContact O-N 3.03Å; I54-T101 HydrophobicContact CG1-CG2 3.99Å; I54-I187 HydrophobicContact CG2-CG1 4.1Å; I54-L190 HydrophobicContact CD1-CB 3.48Å; I54-L190 VanDerWaalsContact CD1-CB 3.48Å; I54-L190 HydrophobicContact CD1-CD1 4.33Å; I54-L190 HydrophobicContact CG1-CB 4.09Å; I54-L190 HydrophobicContact CG1-CD1 4.08Å; I54-L190 HydrophobicContact CG2-CD1 4.05Å; I54-M191 HydrophobicContact CD1-CB 4.35Å
55I90.5Very high92.3Very high6 Ų635.9 Ų35.93%0.03119%0.192CC..Hα-helixtrans-62.8-59.1-174-63.5175.6000112.5G33 E36 L37 I40 P52 I53 I57 M58 I59 Y186G33-I55 WeakPolarHBondContact O-CG2 3.29Å; E36-I55 HydrophobicContact CB-CD1 4.1Å; L37-I55 HydrophobicContact CB-CG2 4.01Å; I40-I55 HydrophobicContact CG1-CD1 4.31Å; P52-I55 HydrophobicContact CB-CD1 4.18Å; P52-I55 HydrophobicContact CB-CG1 4.22Å; P52-I55 HydrophobicContact CG-CD1 3.92Å; P52-I55 HydrophobicContact CG-CG1 4.49Å; P52-I55 PolarHBondContact O-N 2.94Å; I53-I55 VanDerWaalsContact C-N 3.29Å; I53-I55 PolarHBondContact O-N 3.36Å; I55-I57 VanDerWaalsContact C-N 3.3Å; I55-I57 PolarHBondContact O-N 3.13Å; I55-M58 WeakPolarHBondContact O-CB 3.41Å; I55-M58 PolarHBondContact O-N 3.06Å; I55-I59 PolarHBondContact O-N 2.83Å; I55-Y186 HydrophobicContact CG1-CE1 4.31Å
56P91.9Very high92.3Very high62 Ų6234 Ų3440%0.40318%0.184SC..Hα-helixtrans-65.7-33.2-179.425.3-35.3000112.8P52 I53 M58 I59 T60P52-P56 WeakPolarHBondContact O-CD 3.45Å; I53-P56 VanDerWaalsContact O-CD 3.31Å; I53-P56 WeakPolarHBondContact O-CD 3.36Å; I53-P56 WeakPolarHBondContact O-CG 3.31Å; P56-M58 VanDerWaalsContact C-N 3.34Å; P56-I59 PolarHBondContact O-N 3.29Å; P56-T60 PolarHBondContact O-N 3.49Å; P56-T60 VanDerWaalsContact O-N 3.16Å; P56-T60 PolarHBondContact O-OG1 2.82Å
57I92.5Very high92.4Very high41 Ų4139 Ų3921%0.2121%0.21CC..Hα-helixtrans-69.1-37178.4-56.8175.1000110.5I53 I55 I59 T60 T61 I97 T101I53-I57 HydrophobicContact CG2-CD1 3.49Å; I53-I57 VanDerWaalsContact CG2-CD1 3.49Å; I53-I57 HydrophobicContact CG2-CG1 4.39Å; I53-I57 WeakPolarHBondContact O-CG1 3.29Å; I55-I57 VanDerWaalsContact C-N 3.3Å; I55-I57 PolarHBondContact O-N 3.13Å; I57-I59 VanDerWaalsContact C-N 3.32Å; I57-I59 PolarHBondContact O-N 2.77Å; I57-T60 CarbonylContact O-C 3.39Å; I57-T60 WeakPolarHBondContact O-CA 3.37Å; I57-T60 WeakPolarHBondContact O-CB 3.32Å; I57-T60 PolarHBondContact O-N 2.96Å; I57-T61 HydrophobicContact CG2-CG2 3.97Å; I57-T61 WeakPolarHBondContact O-CG2 3.25Å; I57-T61 PolarHBondContact O-N 3.44Å; I57-T61 PolarHBondContact O-OG1 2.91Å; I57-I97 HydrophobicContact CG2-CG2 3.61Å; I57-T101 HydrophobicContact CB-CG2 4.03Å; I57-T101 HydrophobicContact CD1-CG2 4.24Å; I57-T101 HydrophobicContact CG2-CG2 3.94Å; I57-T101 WeakPolarHBondContact CG2-OG1 3.17Å
58M89.9Confident92.4Very high0 Ų039.1 Ų39.10%021%0.211CC..Hα-helixtrans-58.7-42.6175.6-15473.1-156.300112.8F29 I54 I55 P56 T60 T61 G62 L190F29-M58 HydrophobicContact CB-CE 3.82Å; F29-M58 HydrophobicContact CB-CG 4.14Å; F29-M58 HydrophobicContact CD1-CE 3.27Å; F29-M58 HydrophobicContact CD2-CE 3.12Å; F29-M58 HydrophobicContact CE1-CE 3.28Å; F29-M58 HydrophobicContact CE2-CE 3.13Å; F29-M58 HydrophobicContact CG-CE 3.13Å; F29-M58 HydrophobicContact CG-CG 4.43Å; F29-M58 HydrophobicContact CZ-CE 3.15Å; I54-M58 VanDerWaalsContact O-CB 3.29Å; I54-M58 WeakPolarHBondContact O-CB 3.31Å; I54-M58 PolarHBondContact O-N 3.03Å; I55-M58 WeakPolarHBondContact O-CB 3.41Å; I55-M58 PolarHBondContact O-N 3.06Å; P56-M58 VanDerWaalsContact C-N 3.34Å; M58-T60 VanDerWaalsContact C-N 3.26Å; M58-T60 PolarHBondContact O-N 3.45Å; M58-T61 PolarHBondContact O-OG1 3.15Å; M58-G62 PolarHBondContact O-N 3.26Å; M58-L190 HydrophobicContact SD-CD2 4.47Å
59I93.5Very high92.5Very high34 Ų3436 Ų3617%0.17420%0.197CC..Hα-helixtrans-62-41.2175.4-60.3170.9000109.5L30 I34 L37 I55 P56 I57 T63L30-I59 HydrophobicContact CD2-CB 4.48Å; L30-I59 HydrophobicContact CD2-CG2 3.85Å; L30-I59 WeakPolarHBondContact CD2-O 3.32Å; I34-I59 HydrophobicContact CG1-CD1 4.21Å; I34-I59 HydrophobicContact CG1-CG1 4.48Å; L37-I59 HydrophobicContact CD2-CD1 4.1Å; I55-I59 PolarHBondContact O-N 2.83Å; P56-I59 PolarHBondContact O-N 3.29Å; I57-I59 VanDerWaalsContact C-N 3.32Å; I57-I59 PolarHBondContact O-N 2.77Å; I59-T63 WeakPolarHBondContact O-CG2 3.37Å; I59-T63 PolarHBondContact O-N 3.47Å; I59-T63 VanDerWaalsContact O-N 3.08Å; I59-T63 PolarHBondContact O-OG1 2.88Å
60T92.9Very high92.8Very high70 Ų7034.8 Ų34.843%0.42919%0.19SC..Hα-helixtrans-70.4-44.7-178.2-53.70000112P56 I57 M58 T63 I64P56-T60 PolarHBondContact O-N 3.49Å; P56-T60 VanDerWaalsContact O-N 3.16Å; P56-T60 PolarHBondContact O-OG1 2.82Å; I57-T60 CarbonylContact O-C 3.39Å; I57-T60 WeakPolarHBondContact O-CA 3.37Å; I57-T60 WeakPolarHBondContact O-CB 3.32Å; I57-T60 PolarHBondContact O-N 2.96Å; M58-T60 VanDerWaalsContact C-N 3.26Å; M58-T60 PolarHBondContact O-N 3.45Å; T60-T63 PolarHBondContact O-N 2.92Å; T60-T63 PolarHBondContact O-OG1 2.95Å; T60-I64 HydrophobicContact CG2-CD1 3.95Å; T60-I64 VanDerWaalsContact O-CG1 3.31Å; T60-I64 WeakPolarHBondContact O-CG1 3.2Å; T60-I64 PolarHBondContact O-N 3.24Å; T60-I64 VanDerWaalsContact O-N 3.14Å
61T92.5Very high93Very high1 Ų136.4 Ų36.41%0.00620%0.197CC..Hα-helixtrans-69.9-37.8177.9570000112.1I57 M58 G65 I97 E98I57-T61 HydrophobicContact CG2-CG2 3.97Å; I57-T61 WeakPolarHBondContact O-CG2 3.25Å; I57-T61 PolarHBondContact O-N 3.44Å; I57-T61 PolarHBondContact O-OG1 2.91Å; M58-T61 PolarHBondContact O-OG1 3.15Å; T61-G65 PolarHBondContact O-N 3.33Å; T61-I97 HydrophobicContact CG2-CB 3.67Å; T61-I97 HydrophobicContact CG2-CG2 3.19Å; T61-E98 HydrophobicContact CG2-CG 4.07Å
62G93.7Very high93.2Very high1 Ų132.7 Ų32.71%0.0118%0.183CC..Hα-helixtrans-59.7-44.2174.400000112.4M58 S66M58-G62 PolarHBondContact O-N 3.26Å; G62-S66 VanDerWaalsContact O-CB 3.29Å; G62-S66 WeakPolarHBondContact O-CB 3.47Å; G62-S66 PolarHBondContact O-N 3.3Å; G62-S66 PolarHBondContact O-OG 3.37Å
63T95.7Very high93.2Very high54 Ų5435.3 Ų35.333%0.33119%0.194SC..Hα-helixtrans-65.4-53.5176.749.30000111.5L30 I59 T60 G65 S66 I67L30-T63 HydrophobicContact CD1-CG2 4.08Å; L30-T63 HydrophobicContact CD2-CG2 3.29Å; L30-T63 HydrophobicContact CG-CG2 4.3Å; I59-T63 WeakPolarHBondContact O-CG2 3.37Å; I59-T63 PolarHBondContact O-N 3.47Å; I59-T63 VanDerWaalsContact O-N 3.08Å; I59-T63 PolarHBondContact O-OG1 2.88Å; T60-T63 PolarHBondContact O-N 2.92Å; T60-T63 PolarHBondContact O-OG1 2.95Å; T63-G65 VanDerWaalsContact C-N 3.34Å; T63-G65 PolarHBondContact O-N 2.9Å; T63-S66 PolarHBondContact O-N 2.98Å; T63-I67 WeakPolarHBondContact O-CG1 3.24Å; T63-I67 PolarHBondContact O-N 3.26Å
64I95Very high93.3Very high54 Ų5435 Ų3528%0.27719%0.193SC..Hα-helixtrans-58.8-47-178.4-65.7168.9000110.6T60 I67 A68 A94 I97T60-I64 HydrophobicContact CG2-CD1 3.95Å; T60-I64 VanDerWaalsContact O-CG1 3.31Å; T60-I64 WeakPolarHBondContact O-CG1 3.2Å; T60-I64 PolarHBondContact O-N 3.24Å; T60-I64 VanDerWaalsContact O-N 3.14Å; I64-I67 PolarHBondContact O-N 2.98Å; I64-A68 WeakPolarHBondContact O-CB 3.49Å; I64-A68 PolarHBondContact O-N 3.48Å; I64-A94 HydrophobicContact CG2-CB 4.27Å; I64-I97 HydrophobicContact CD1-CD1 4.2Å
65G94.8Very high93.1Very high3 Ų335.5 Ų35.53%0.03120%0.198CC..Hα-helixtrans-62.6-42.3179.200000112.9T61 T63 S69T61-G65 PolarHBondContact O-N 3.33Å; T63-G65 VanDerWaalsContact C-N 3.34Å; T63-G65 PolarHBondContact O-N 2.9Å; G65-S69 VanDerWaalsContact O-CB 3.31Å; G65-S69 WeakPolarHBondContact O-CB 3.49Å; G65-S69 PolarHBondContact O-N 2.9Å; G65-S69 PolarHBondContact O-OG 2.91Å
66S95.6Very high92.9Very high16 Ų1638.2 Ų38.211%0.11221%0.212CC..Hα-helixtrans-64.1-45.2177.3-58.60000111.7G26 G62 T63 S69 L70G26-S66 VanDerWaalsContact CA-OG 3.25Å; G26-S66 WeakPolarHBondContact CA-OG 3.35Å; G62-S66 VanDerWaalsContact O-CB 3.29Å; G62-S66 WeakPolarHBondContact O-CB 3.47Å; G62-S66 PolarHBondContact O-N 3.3Å; G62-S66 PolarHBondContact O-OG 3.37Å; T63-S66 PolarHBondContact O-N 2.98Å; S66-S69 PolarHBondContact O-N 2.7Å; S66-L70 WeakPolarHBondContact O-CB 3.42Å; S66-L70 PolarHBondContact O-N 3.47Å
67I96.8Very high92.5Very high106 Ų10642.9 Ų42.954%0.54423%0.226SC..Hα-helixtrans-64.1-47.6178.6-67.2167.4000110.4T63 I64 S69 L70 I71T63-I67 WeakPolarHBondContact O-CG1 3.24Å; T63-I67 PolarHBondContact O-N 3.26Å; I64-I67 PolarHBondContact O-N 2.98Å; I67-S69 VanDerWaalsContact C-N 3.27Å; I67-S69 PolarHBondContact O-N 2.68Å; I67-L70 PolarHBondContact O-N 3.27Å; I67-I71 HydrophobicContact CG2-CD1 3.95Å; I67-I71 VanDerWaalsContact O-CG1 3.31Å; I67-I71 WeakPolarHBondContact O-CG1 3.31Å; I67-I71 PolarHBondContact O-N 2.96Å
68A96.3Very high92.1Very high4 Ų444.7 Ų44.73%0.03323%0.234CC..Hα-helixtrans-59.4-39177.800000112I64 G72 H87 L91I64-A68 WeakPolarHBondContact O-CB 3.49Å; I64-A68 PolarHBondContact O-N 3.48Å; A68-G72 PolarHBondContact O-N 2.92Å; A68-H87 PolarHBondContact O-ND1 3.33Å; A68-L91 HydrophobicContact CB-CD2 4.23Å; A68-L91 HydrophobicContact CB-CG 4.33Å
69S96.3Very high91.4Very high0 Ų055 Ų550%028%0.279CS..Hα-helixtrans-72.7-36.3178.7-55.10000112.4N19 F22 G65 S66 I67 G72 F73N19-S69 WeakPolarHBondContact OD1-CA 3.48Å; N19-S69 PolarHBondContact OD1-O 3.35Å; F22-S69 WeakPolarHBondContact CB-OG 3.31Å; G65-S69 VanDerWaalsContact O-CB 3.31Å; G65-S69 WeakPolarHBondContact O-CB 3.49Å; G65-S69 PolarHBondContact O-N 2.9Å; G65-S69 PolarHBondContact O-OG 2.91Å; S66-S69 PolarHBondContact O-N 2.7Å; I67-S69 VanDerWaalsContact C-N 3.27Å; I67-S69 PolarHBondContact O-N 2.68Å; S69-G72 PolarHBondContact O-N 2.97Å; S69-F73 PolarHBondContact O-N 3.41Å
70L95Very high91Very high89 Ų8960 Ų6047%0.46630%0.299SS..Hα-helixtrans-64.1-42.8172.8-176.564.7000111.6I23 S66 I67 G72 F73 I74I23-L70 HydrophobicContact CD1-CB 4.43Å; I23-L70 HydrophobicContact CD1-CD1 4.44Å; S66-L70 WeakPolarHBondContact O-CB 3.42Å; S66-L70 PolarHBondContact O-N 3.47Å; I67-L70 PolarHBondContact O-N 3.27Å; L70-G72 VanDerWaalsContact C-N 3.27Å; L70-G72 PolarHBondContact O-N 3.48Å; L70-F73 PolarHBondContact O-N 2.85Å; L70-I74 HydrophobicContact CD1-CD1 4.4Å; L70-I74 HydrophobicContact CG-CD1 4.04Å; L70-I74 VanDerWaalsContact O-CG1 3.32Å; L70-I74 WeakPolarHBondContact O-CG1 3.34Å; L70-I74 PolarHBondContact O-N 2.9Å
71I93.9Very high90.7Very high52 Ų5262.9 Ų62.927%0.26731%0.308SS..Hα-helixtrans-59.5-41.2172.8-67.3167.8000110.3I67 I74 G75 I83 L86 H87I67-I71 HydrophobicContact CG2-CD1 3.95Å; I67-I71 VanDerWaalsContact O-CG1 3.31Å; I67-I71 WeakPolarHBondContact O-CG1 3.31Å; I67-I71 PolarHBondContact O-N 2.96Å; I71-I74 PolarHBondContact O-N 3.42Å; I71-G75 PolarHBondContact O-N 2.93Å; I71-I83 HydrophobicContact CG2-CG2 3.74Å; I71-L86 HydrophobicContact CG2-CB 4.26Å; I71-H87 HydrophobicContact CG2-CB 4.38Å
72G91.5Very high90.6Very high7 Ų769.4 Ų69.47%0.07234%0.337CS..Hα-helixtrans-60.5-46.5174.500000112.9A68 S69 L70 G75 L76 H87A68-G72 PolarHBondContact O-N 2.92Å; S69-G72 PolarHBondContact O-N 2.97Å; L70-G72 VanDerWaalsContact C-N 3.27Å; L70-G72 PolarHBondContact O-N 3.48Å; G72-G75 PolarHBondContact O-N 3.03Å; G72-L76 PolarHBondContact O-N 3.31Å; G72-H87 VanDerWaalsContact CA-CG 3.43Å; G72-H87 WeakPolarHBondContact CA-ND1 3.33Å
73F90.3Very high90.4Very high60 Ų6070.3 Ų70.326%0.26334%0.341SS..Hα-helixtrans-62-45.2176.9-174.7-96.2000112I16 L20 S69 L70 G75 L76 F77I16-F73 HydrophobicContact CG2-CE2 4.23Å; L20-F73 HydrophobicContact CD2-CD2 4.34Å; L20-F73 HydrophobicContact CD2-CE2 4.2Å; L20-F73 HydrophobicContact CG-CE2 4.46Å; S69-F73 PolarHBondContact O-N 3.41Å; L70-F73 PolarHBondContact O-N 2.85Å; F73-G75 VanDerWaalsContact C-N 3.31Å; F73-G75 PolarHBondContact O-N 3.28Å; F73-L76 HydrophobicContact CD2-CD1 4.49Å; F73-L76 WeakPolarHBondContact O-CB 3.27Å; F73-L76 PolarHBondContact O-N 2.97Å; F73-F77 HydrophobicContact CD1-CE2 4.49Å; F73-F77 HydrophobicContact CE1-CE2 4.08Å; F73-F77 HydrophobicContact CZ-CE2 4.39Å
74I89.6Confident90Very high73 Ų7370.8 Ų70.837%0.37434%0.341SS..Hα-helixtrans-64.3-38.3174.8-66.5166.9000110.8L70 I71 L76 F77 Q78L70-I74 HydrophobicContact CD1-CD1 4.4Å; L70-I74 HydrophobicContact CG-CD1 4.04Å; L70-I74 VanDerWaalsContact O-CG1 3.32Å; L70-I74 WeakPolarHBondContact O-CG1 3.34Å; L70-I74 PolarHBondContact O-N 2.9Å; I71-I74 PolarHBondContact O-N 3.42Å; I74-L76 PolarHBondContact O-N 2.93Å; I74-F77 PolarHBondContact O-N 3.08Å; I74-Q78 HydrophobicContact CG2-CG 4.45Å; I74-Q78 VanDerWaalsContact CG2-NE2 3.26Å
75G87.1Confident89.8Confident12 Ų1273.9 Ų73.912%0.12436%0.357CS..Hα-helixtrans-59.7-23.8178.300000114I71 G72 F73 F77 Q78 I83I71-G75 PolarHBondContact O-N 2.93Å; G72-G75 PolarHBondContact O-N 3.03Å; F73-G75 VanDerWaalsContact C-N 3.31Å; F73-G75 PolarHBondContact O-N 3.28Å; G75-F77 PolarHBondContact O-N 3.49Å; G75-Q78 PolarHBondContact O-N 3.28Å; G75-Q78 VanDerWaalsContact O-N 3.16Å; G75-I83 VanDerWaalsContact CA-CG2 3.48Å
76L85.7Confident89.8Confident63 Ų6377.6 Ų77.633%0.3338%0.376SS..THydrogen-bonded Turntrans-63.2-28.5173.6-69.4170.6000113.4I15 I16 G72 F73 I74I15-L76 HydrophobicContact CB-CD2 4.27Å; I15-L76 HydrophobicContact CG2-CD1 4.18Å; I15-L76 HydrophobicContact CG2-CD2 3.72Å; I15-L76 HydrophobicContact CG2-CG 4.2Å; I16-L76 HydrophobicContact CB-CD1 4.4Å; I16-L76 HydrophobicContact CD1-CD1 4.2Å; I16-L76 HydrophobicContact CG1-CD1 3.28Å; G72-L76 PolarHBondContact O-N 3.31Å; F73-L76 HydrophobicContact CD2-CD1 4.49Å; F73-L76 WeakPolarHBondContact O-CB 3.27Å; F73-L76 PolarHBondContact O-N 2.97Å; I74-L76 PolarHBondContact O-N 2.93Å
77F83.8Confident89.7Confident160 Ų16077.2 Ų77.270%0.70237%0.373SS*.THydrogen-bonded Turntrans-91.5-12178-57.6-79.2000112.4F73 I74 G75F73-F77 HydrophobicContact CD1-CE2 4.49Å; F73-F77 HydrophobicContact CE1-CE2 4.08Å; F73-F77 HydrophobicContact CZ-CE2 4.39Å; I74-F77 PolarHBondContact O-N 3.08Å; G75-F77 PolarHBondContact O-N 3.49Å
78Q84.2Confident89.6Confident80 Ų8073.4 Ų73.437%0.37435%0.353SS..  trans-113.7126.6-174.1-59.6-163.830.900111.6I74 G75 K80 I83I74-Q78 HydrophobicContact CG2-CG 4.45Å; I74-Q78 VanDerWaalsContact CG2-NE2 3.26Å; G75-Q78 PolarHBondContact O-N 3.28Å; G75-Q78 VanDerWaalsContact O-N 3.16Å; Q78-K80 PolarHBondContact O-N 3.47Å; Q78-I83 HydrophobicContact CB-CD1 3.58Å; Q78-I83 VanDerWaalsContact CD-CD1 3.46Å; Q78-I83 HydrophobicContact CG-CD1 4.07Å
79K75.6Confident89.5Confident217 Ų21774.6 Ų74.694%0.94337%0.365SS*.  trans-77.215-179.1-61.3-175.5-179.7-179.60114.5
80K85.7Confident89.5Confident138 Ų13875.3 Ų75.360%0.637%0.373SS*.  trans-90.1115.8-173.4-64.1-175.9178.9179.30111Q78 F82 I83Q78-K80 PolarHBondContact O-N 3.47Å; K80-F82 PolarHBondContact O-N 2.76Å; K80-I83 HydrophobicContact CB-CD1 3.88Å; K80-I83 HydrophobicContact CB-CG1 4.05Å; K80-I83 HydrophobicContact CD-CD1 4.26Å; K80-I83 HydrophobicContact CG-CD1 4.47Å; K80-I83 PolarHBondContact O-N 3.49Å
81Q85.7Confident89.6Confident130 Ų13071 Ų7161%0.60735%0.351SS*.Hα-helixtrans-53.8-36176-73.9179.2-25.400112.9I83 I84 L85 Y212Q81-I83 PolarHBondContact O-N 3.42Å; Q81-I84 WeakPolarHBondContact O-CB 3.29Å; Q81-I84 PolarHBondContact O-N 3.5Å; Q81-I84 VanDerWaalsContact O-N 3.13Å; Q81-L85 PolarHBondContact O-N 3.46Å; Q81-Y212 PolarHBondContact NE2-OH 2.95Å
82F90.1Very high89.7Confident139 Ų13971.9 Ų71.961%0.6136%0.355SS*.Hα-helixtrans-55.6-35177.3-177.8-109.5000113.5K80 L85 L86K80-F82 PolarHBondContact O-N 2.76Å; F82-L85 PolarHBondContact O-N 2.63Å; F82-L86 HydrophobicContact CD1-CD1 3.9Å; F82-L86 HydrophobicContact CD1-CG 4.36Å; F82-L86 HydrophobicContact CE1-CD1 3.38Å; F82-L86 HydrophobicContact CE1-CG 3.97Å; F82-L86 HydrophobicContact CE2-CD2 4.49Å; F82-L86 HydrophobicContact CE2-CG 4.37Å; F82-L86 HydrophobicContact CZ-CD1 3.8Å; F82-L86 HydrophobicContact CZ-CD2 4.07Å; F82-L86 HydrophobicContact CZ-CG 3.96Å; F82-L86 WeakPolarHBondContact O-CG 3.47Å; F82-L86 PolarHBondContact O-N 2.91Å
83I89.8Confident89.9Confident19 Ų1976 Ų7610%0.09738%0.375CS..Hα-helixtrans-71.4-38.2-179.4-61.7173.9000111I71 G75 Q78 K80 Q81 L85 L86 H87I71-I83 HydrophobicContact CG2-CG2 3.74Å; G75-I83 VanDerWaalsContact CA-CG2 3.48Å; Q78-I83 HydrophobicContact CB-CD1 3.58Å; Q78-I83 VanDerWaalsContact CD-CD1 3.46Å; Q78-I83 HydrophobicContact CG-CD1 4.07Å; K80-I83 HydrophobicContact CB-CD1 3.88Å; K80-I83 HydrophobicContact CB-CG1 4.05Å; K80-I83 HydrophobicContact CD-CD1 4.26Å; K80-I83 HydrophobicContact CG-CD1 4.47Å; K80-I83 PolarHBondContact O-N 3.49Å; Q81-I83 PolarHBondContact O-N 3.42Å; I83-L85 VanDerWaalsContact C-N 3.33Å; I83-L86 PolarHBondContact O-N 2.87Å; I83-H87 WeakPolarHBondContact O-CB 3.24Å; I83-H87 PolarHBondContact O-N 3.32Å
84I87.6Confident90.2Very high64 Ų6473.2 Ų73.233%0.32836%0.362SS..Hα-helixtrans-64.4-42.1175.2-59.2173.9000109.8Q81 H87 I88Q81-I84 WeakPolarHBondContact O-CB 3.29Å; Q81-I84 PolarHBondContact O-N 3.5Å; Q81-I84 VanDerWaalsContact O-N 3.13Å; I84-H87 PolarHBondContact O-N 3.38Å; I84-I88 HydrophobicContact CG2-CD1 3.8Å; I84-I88 HydrophobicContact CG2-CG1 4.41Å; I84-I88 WeakPolarHBondContact O-CG1 3.48Å; I84-I88 PolarHBondContact O-N 2.91Å
85L91Very high90.5Very high119 Ų11970.3 Ų70.362%0.62335%0.349SS*.Hα-helixtrans-63-44.9176.5-69.2173000112.1Q81 F82 I83 H87 I88 G89Q81-L85 PolarHBondContact O-N 3.46Å; F82-L85 PolarHBondContact O-N 2.63Å; I83-L85 VanDerWaalsContact C-N 3.33Å; L85-H87 VanDerWaalsContact C-N 3.34Å; L85-H87 PolarHBondContact O-N 3.19Å; L85-I88 PolarHBondContact O-N 3.33Å; L85-G89 PolarHBondContact O-N 3.15Å
86L93.8Very high91Very high82 Ų8274.8 Ų74.843%0.42937%0.37SS..Hα-helixtrans-60.3-43.8175-75.6178.5000112.1I71 F82 I83 G90I71-L86 HydrophobicContact CG2-CB 4.26Å; F82-L86 HydrophobicContact CD1-CD1 3.9Å; F82-L86 HydrophobicContact CD1-CG 4.36Å; F82-L86 HydrophobicContact CE1-CD1 3.38Å; F82-L86 HydrophobicContact CE1-CG 3.97Å; F82-L86 HydrophobicContact CE2-CD2 4.49Å; F82-L86 HydrophobicContact CE2-CG 4.37Å; F82-L86 HydrophobicContact CZ-CD1 3.8Å; F82-L86 HydrophobicContact CZ-CD2 4.07Å; F82-L86 HydrophobicContact CZ-CG 3.96Å; F82-L86 WeakPolarHBondContact O-CG 3.47Å; F82-L86 PolarHBondContact O-N 2.91Å; I83-L86 PolarHBondContact O-N 2.87Å; L86-G90 PolarHBondContact O-N 2.88Å
87H93.9Very high91.4Very high8 Ų874.2 Ų74.24%0.03737%0.367CS..Hα-helixtrans-60.3-52.8177.2167.559.1000112.1N19 A68 I71 G72 I83 I84 L85 G90 L91 Y204N19-H87 PolarHBondContact OD1-CE1 3.43Å; A68-H87 PolarHBondContact O-ND1 3.33Å; I71-H87 HydrophobicContact CG2-CB 4.38Å; G72-H87 VanDerWaalsContact CA-CG 3.43Å; G72-H87 WeakPolarHBondContact CA-ND1 3.33Å; I83-H87 WeakPolarHBondContact O-CB 3.24Å; I83-H87 PolarHBondContact O-N 3.32Å; I84-H87 PolarHBondContact O-N 3.38Å; L85-H87 VanDerWaalsContact C-N 3.34Å; L85-H87 PolarHBondContact O-N 3.19Å; H87-G90 PolarHBondContact O-N 2.98Å; H87-L91 WeakPolarHBondContact CE1-CD1 3.25Å; H87-L91 PolarHBondContact O-N 3.47Å; H87-L91 VanDerWaalsContact O-N 3.08Å; H87-Y204 AromaticContact NE2-CE1 3.36Å; H87-Y204 WeakPolarHBondContact NE2-CE1 3.21Å; H87-Y204 AromaticContact NE2-CZ 3.49Å; H87-Y204 PolarHBondContact NE2-OH 3.12Å
88I94.6Very high92Very high25 Ų2566.7 Ų66.713%0.12833%0.333CS..Hα-helixtrans-65.1-45.3-179.4-66.4173.2000110.6I84 L85 G90 L91 I92 I205 T208I84-I88 HydrophobicContact CG2-CD1 3.8Å; I84-I88 HydrophobicContact CG2-CG1 4.41Å; I84-I88 WeakPolarHBondContact O-CG1 3.48Å; I84-I88 PolarHBondContact O-N 2.91Å; L85-I88 PolarHBondContact O-N 3.33Å; I88-G90 PolarHBondContact O-N 3.01Å; I88-L91 PolarHBondContact O-N 2.92Å; I88-I92 HydrophobicContact CG2-CD1 3.81Å; I88-I92 HydrophobicContact CG2-CG1 4.37Å; I88-I92 VanDerWaalsContact O-CG1 3.31Å; I88-I92 WeakPolarHBondContact O-CG1 3.43Å; I88-I92 PolarHBondContact O-N 2.92Å; I88-I205 HydrophobicContact CG2-CG2 4.21Å; I88-T208 HydrophobicContact CD1-CG2 3.84Å; I88-T208 HydrophobicContact CG1-CG2 4.39Å
89G95.6Very high92.5Very high29 Ų2967.8 Ų67.830%0.29934%0.337SS..Hα-helixtrans-60-44.4178.300000112.6L85 L91 I92 I93L85-G89 PolarHBondContact O-N 3.15Å; G89-L91 PolarHBondContact O-N 3.14Å; G89-I92 PolarHBondContact O-N 3.21Å; G89-I93 WeakPolarHBondContact O-CG1 3.44Å; G89-I93 PolarHBondContact O-N 3.43Å
90G95.6Very high93.4Very high15 Ų1560.1 Ų60.116%0.15531%0.311CS..Hα-helixtrans-62.8-40.9176.200000113.1L86 H87 I88 I93 A94L86-G90 PolarHBondContact O-N 2.88Å; H87-G90 PolarHBondContact O-N 2.98Å; I88-G90 PolarHBondContact O-N 3.01Å; G90-I93 PolarHBondContact O-N 3.08Å; G90-A94 WeakPolarHBondContact O-CB 3.34Å; G90-A94 PolarHBondContact O-N 3.02Å
91L96.2Very high93.8Very high0 Ų053.8 Ų53.80%028%0.284CS..Hα-helixtrans-68.5-36.1175.5-73.7-175.3000113.1F22 A68 H87 I88 G89 A94 A95 K201 Y204 I205F22-L91 HydrophobicContact CD2-CD1 4.43Å; F22-L91 HydrophobicContact CD2-CD2 4.48Å; F22-L91 HydrophobicContact CE2-CD1 4.43Å; A68-L91 HydrophobicContact CB-CD2 4.23Å; A68-L91 HydrophobicContact CB-CG 4.33Å; H87-L91 WeakPolarHBondContact CE1-CD1 3.25Å; H87-L91 PolarHBondContact O-N 3.47Å; H87-L91 VanDerWaalsContact O-N 3.08Å; I88-L91 PolarHBondContact O-N 2.92Å; G89-L91 PolarHBondContact O-N 3.14Å; L91-A94 PolarHBondContact O-N 3.4Å; L91-A95 VanDerWaalsContact O-CB 3.27Å; L91-A95 WeakPolarHBondContact O-CB 3.31Å; L91-A95 PolarHBondContact O-N 3.26Å; L91-K201 HydrophobicContact CD2-CD 4.33Å; L91-K201 HydrophobicContact CD2-CG 4.5Å; L91-Y204 HydrophobicContact CD1-CD1 3.7Å; L91-Y204 HydrophobicContact CD1-CE1 3.46Å; L91-Y204 VanDerWaalsContact CD1-CE1 3.46Å; L91-I205 HydrophobicContact CB-CD1 3.98Å; L91-I205 HydrophobicContact CB-CG1 4.31Å
92I96.7Very high94.1Very high70 Ų7047.6 Ų47.636%0.35926%0.255SS..Hα-helixtrans-60.6-49.3173.2-71.1167.8000109.7I88 G89 A94 A95 L96 I205I88-I92 HydrophobicContact CG2-CD1 3.81Å; I88-I92 HydrophobicContact CG2-CG1 4.37Å; I88-I92 VanDerWaalsContact O-CG1 3.31Å; I88-I92 WeakPolarHBondContact O-CG1 3.43Å; I88-I92 PolarHBondContact O-N 2.92Å; G89-I92 PolarHBondContact O-N 3.21Å; I92-A94 VanDerWaalsContact C-N 3.35Å; I92-A94 PolarHBondContact O-N 2.99Å; I92-A95 PolarHBondContact O-N 3.4Å; I92-L96 HydrophobicContact CG2-CD1 3.95Å; I92-L96 HydrophobicContact CG2-CG 4.4Å; I92-L96 VanDerWaalsContact O-CG 3.32Å; I92-L96 WeakPolarHBondContact O-CG 3.5Å; I92-L96 PolarHBondContact O-N 2.97Å; I92-I205 HydrophobicContact CD1-CG2 4.44Å; I92-I205 HydrophobicContact CG1-CD1 3.72Å; I92-I205 HydrophobicContact CG1-CG1 4.49Å; I92-I205 HydrophobicContact CG1-CG2 4.25Å
93I96.6Very high94.4Very high94 Ų9444.1 Ų44.148%0.48224%0.242SC..Hα-helixtrans-58.6-48.3178-67.7166.5000110.3G89 G90 A95 L96 I97G89-I93 WeakPolarHBondContact O-CG1 3.44Å; G89-I93 PolarHBondContact O-N 3.43Å; G90-I93 PolarHBondContact O-N 3.08Å; I93-A95 PolarHBondContact O-N 2.9Å; I93-L96 PolarHBondContact O-N 3.34Å; I93-I97 HydrophobicContact CG2-CD1 3.78Å; I93-I97 VanDerWaalsContact O-CG1 3.28Å; I93-I97 WeakPolarHBondContact O-CG1 3.46Å; I93-I97 PolarHBondContact O-N 3.48Å
94A95.8Very high94.6Very high0 Ų047 Ų470%026%0.257CS..Hα-helixtrans-60.5-44.2178.700000112.4I64 G90 L91 I92 I97 E98I64-A94 HydrophobicContact CG2-CB 4.27Å; G90-A94 WeakPolarHBondContact O-CB 3.34Å; G90-A94 PolarHBondContact O-N 3.02Å; L91-A94 PolarHBondContact O-N 3.4Å; I92-A94 VanDerWaalsContact C-N 3.35Å; I92-A94 PolarHBondContact O-N 2.99Å; A94-I97 PolarHBondContact O-N 3.27Å; A94-E98 WeakPolarHBondContact O-CB 3.32Å; A94-E98 WeakPolarHBondContact O-CG 3.28Å; A94-E98 PolarHBondContact O-N 3.14Å
95A96.2Very high94.9Very high13 Ų1344.1 Ų44.111%0.10724%0.242CC..Hα-helixtrans-65.4-39.9179.900000112.4L91 I92 I93 E98 F99 K201L91-A95 VanDerWaalsContact O-CB 3.27Å; L91-A95 WeakPolarHBondContact O-CB 3.31Å; L91-A95 PolarHBondContact O-N 3.26Å; I92-A95 PolarHBondContact O-N 3.4Å; I93-A95 PolarHBondContact O-N 2.9Å; A95-E98 PolarHBondContact O-N 3.43Å; A95-F99 WeakPolarHBondContact O-CB 3.33Å; A95-F99 PolarHBondContact O-N 2.99Å; A95-K201 HydrophobicContact CB-CB 3.97Å; A95-K201 HydrophobicContact CB-CD 4.19Å
96L96.4Very high95Very high106 Ų10640.2 Ų40.256%0.55523%0.227SC*.Hα-helixtrans-63.9-45.7175.6-71174.8000111.2I92 I93 E98 F99 S100I92-L96 HydrophobicContact CG2-CD1 3.95Å; I92-L96 HydrophobicContact CG2-CG 4.4Å; I92-L96 VanDerWaalsContact O-CG 3.32Å; I92-L96 WeakPolarHBondContact O-CG 3.5Å; I92-L96 PolarHBondContact O-N 2.97Å; I93-L96 PolarHBondContact O-N 3.34Å; L96-E98 PolarHBondContact O-N 3.44Å; L96-F99 PolarHBondContact O-N 3.42Å; L96-S100 WeakPolarHBondContact O-CB 3.45Å; L96-S100 PolarHBondContact O-N 3.02Å; L96-S100 PolarHBondContact O-OG 2.95Å; L96-S100 VanDerWaalsContact O-OG 3.11Å
97I95.5Very high95Very high51 Ų5142.3 Ų42.326%0.26224%0.238SC..Hα-helixtrans-63.5-43.8177.8-60.2165.2000110.4I57 T61 I64 I93 A94 F99 S100 T101I57-I97 HydrophobicContact CG2-CG2 3.61Å; T61-I97 HydrophobicContact CG2-CB 3.67Å; T61-I97 HydrophobicContact CG2-CG2 3.19Å; I64-I97 HydrophobicContact CD1-CD1 4.2Å; I93-I97 HydrophobicContact CG2-CD1 3.78Å; I93-I97 VanDerWaalsContact O-CG1 3.28Å; I93-I97 WeakPolarHBondContact O-CG1 3.46Å; I93-I97 PolarHBondContact O-N 3.48Å; A94-I97 PolarHBondContact O-N 3.27Å; I97-F99 PolarHBondContact O-N 2.92Å; I97-S100 PolarHBondContact O-N 2.86Å; I97-T101 VanDerWaalsContact O-CB 3.24Å; I97-T101 WeakPolarHBondContact O-CB 3.37Å; I97-T101 PolarHBondContact O-N 2.94Å; I97-T101 PolarHBondContact O-OG1 2.78Å
98E95Very high94.9Very high1 Ų143 Ų431%0.00524%0.244CC..Hα-helixtrans-59.6-46.4177-76.4170.2165.100112.2T61 A94 A95 L96 T101 G102 C194 A198 K201T61-E98 HydrophobicContact CG2-CG 4.07Å; A94-E98 WeakPolarHBondContact O-CB 3.32Å; A94-E98 WeakPolarHBondContact O-CG 3.28Å; A94-E98 PolarHBondContact O-N 3.14Å; A95-E98 PolarHBondContact O-N 3.43Å; L96-E98 PolarHBondContact O-N 3.44Å; E98-T101 PolarHBondContact O-N 3.39Å; E98-G102 PolarHBondContact O-N 3.22Å; E98-C194 HydrophobicContact CB-CB 4.43Å; E98-A198 HydrophobicContact CB-CB 4.03Å; E98-K201 IonicContact OE1-NZ 2.63Å; E98-K201 PolarHBondContact OE1-NZ 3.27Å; E98-K201 WeakPolarHBondContact OE2-CD 3.29Å; E98-K201 WeakPolarHBondContact OE2-CE 3.36Å; E98-K201 IonicContact OE2-NZ 2.76Å; E98-K201 PolarHBondContact OE2-NZ 3.44Å
99F95.2Very high94.8Very high103 Ų10345 Ų4545%0.45225%0.251SS..Hα-helixtrans-62.2-49177.9-176.2-104.5000111.8A95 L96 I97 T101 G102 I103 F195 A198A95-F99 WeakPolarHBondContact O-CB 3.33Å; A95-F99 PolarHBondContact O-N 2.99Å; L96-F99 PolarHBondContact O-N 3.42Å; I97-F99 PolarHBondContact O-N 2.92Å; F99-T101 VanDerWaalsContact C-N 3.32Å; F99-T101 PolarHBondContact O-N 3.37Å; F99-G102 PolarHBondContact O-N 3.11Å; F99-I103 HydrophobicContact CD1-CD1 3.89Å; F99-I103 HydrophobicContact CE1-CD1 3.39Å; F99-I103 HydrophobicContact CE2-CD1 4.41Å; F99-I103 HydrophobicContact CZ-CD1 3.69Å; F99-I103 PolarHBondContact O-N 3.42Å; F99-F195 AromaticContact CD2-CD1 3.93Å; F99-F195 HydrophobicContact CD2-CD1 3.93Å; F99-F195 AromaticContact CD2-CE1 3.88Å; F99-F195 HydrophobicContact CD2-CE1 3.88Å; F99-F195 HydrophobicContact CE2-CD1 4.21Å; F99-F195 AromaticContact CE2-CE1 3.96Å; F99-F195 HydrophobicContact CE2-CE1 3.96Å; F99-A198 HydrophobicContact CB-CB 4.22Å
100S94.9Very high94.7Very high57 Ų5748.6 Ų48.640%0.39926%0.263SS..Hα-helixtrans-61.8-39.2176.4-64.30000112.2L96 I97 I103 I104L96-S100 WeakPolarHBondContact O-CB 3.45Å; L96-S100 PolarHBondContact O-N 3.02Å; L96-S100 PolarHBondContact O-OG 2.95Å; L96-S100 VanDerWaalsContact O-OG 3.11Å; I97-S100 PolarHBondContact O-N 2.86Å; S100-I103 PolarHBondContact O-N 3.46Å; S100-I104 WeakPolarHBondContact O-CB 3.23Å; S100-I104 VanDerWaalsContact O-CG1 3.24Å; S100-I104 WeakPolarHBondContact O-CG1 3.15Å; S100-I104 PolarHBondContact O-N 2.96Å
101T92.9Very high94.6Very high4 Ų454.9 Ų54.93%0.02529%0.289CS..Hα-helixtrans-64-42177.6-58.20000111.3I54 I57 I97 E98 F99 I103 I104 S105I54-T101 HydrophobicContact CG1-CG2 3.99Å; I57-T101 HydrophobicContact CB-CG2 4.03Å; I57-T101 HydrophobicContact CD1-CG2 4.24Å; I57-T101 HydrophobicContact CG2-CG2 3.94Å; I57-T101 WeakPolarHBondContact CG2-OG1 3.17Å; I97-T101 VanDerWaalsContact O-CB 3.24Å; I97-T101 WeakPolarHBondContact O-CB 3.37Å; I97-T101 PolarHBondContact O-N 2.94Å; I97-T101 PolarHBondContact O-OG1 2.78Å; E98-T101 PolarHBondContact O-N 3.39Å; F99-T101 VanDerWaalsContact C-N 3.32Å; F99-T101 PolarHBondContact O-N 3.37Å; T101-I103 VanDerWaalsContact C-N 3.33Å; T101-I103 PolarHBondContact O-N 2.95Å; T101-I104 PolarHBondContact O-N 3.44Å; T101-S105 WeakPolarHBondContact O-CB 3.17Å; T101-S105 PolarHBondContact O-N 3.28Å; T101-S105 PolarHBondContact O-OG 3.04Å
102G93.6Very high94.5Very high0 Ų055.9 Ų55.90%029%0.293CS..Hα-helixtrans-56.8-47.7174.400000111.6E98 F99 A106 F195E98-G102 PolarHBondContact O-N 3.22Å; F99-G102 PolarHBondContact O-N 3.11Å; G102-A106 WeakPolarHBondContact O-CB 3.22Å; G102-A106 PolarHBondContact O-N 3.46Å; G102-F195 VanDerWaalsContact C-CZ 3.49Å
103I94.7Very high94.4Very high67 Ų6753.7 Ų53.734%0.34428%0.281SS..Hα-helixtrans-65.6-51178.4-64.2171.8000111.6F99 S100 T101 S105 A106 I107 F195F99-I103 HydrophobicContact CD1-CD1 3.89Å; F99-I103 HydrophobicContact CE1-CD1 3.39Å; F99-I103 HydrophobicContact CE2-CD1 4.41Å; F99-I103 HydrophobicContact CZ-CD1 3.69Å; F99-I103 PolarHBondContact O-N 3.42Å; S100-I103 PolarHBondContact O-N 3.46Å; T101-I103 VanDerWaalsContact C-N 3.33Å; T101-I103 PolarHBondContact O-N 2.95Å; I103-S105 VanDerWaalsContact C-N 3.27Å; I103-S105 PolarHBondContact O-N 3.31Å; I103-A106 WeakPolarHBondContact O-CB 3.11Å; I103-A106 PolarHBondContact O-N 3.49Å; I103-A106 VanDerWaalsContact O-N 3.12Å; I103-I107 HydrophobicContact CG2-CD1 3.76Å; I103-I107 WeakPolarHBondContact O-CG1 3.4Å; I103-I107 PolarHBondContact O-N 3.4Å; I103-I107 VanDerWaalsContact O-N 3.08Å; I103-F195 HydrophobicContact CG1-CE1 4.19Å; I103-F195 HydrophobicContact CG1-CZ 4.12Å
104I94.5Very high94.4Very high79 Ų7953.9 Ų53.941%0.40529%0.287SS..Hα-helixtrans-60.2-40.5-178.6-69.2166000110.5I53 S100 T101 I107 S108I53-I104 HydrophobicContact CD1-CG2 4.47Å; I53-I104 HydrophobicContact CG2-CG2 4.33Å; S100-I104 WeakPolarHBondContact O-CB 3.23Å; S100-I104 VanDerWaalsContact O-CG1 3.24Å; S100-I104 WeakPolarHBondContact O-CG1 3.15Å; S100-I104 PolarHBondContact O-N 2.96Å; T101-I104 PolarHBondContact O-N 3.44Å; I104-I107 PolarHBondContact O-N 2.87Å; I104-S108 VanDerWaalsContact O-CB 3.3Å; I104-S108 WeakPolarHBondContact O-CB 3.49Å; I104-S108 PolarHBondContact O-N 3.01Å; I104-S108 PolarHBondContact O-OG 2.87Å
105S93.8Very high94.4Very high4 Ų458.4 Ų58.43%0.02831%0.306CS..Hα-helixtrans-66.8-38.5177.4-56.10000111.7T101 I103 I107 K109T101-S105 WeakPolarHBondContact O-CB 3.17Å; T101-S105 PolarHBondContact O-N 3.28Å; T101-S105 PolarHBondContact O-OG 3.04Å; I103-S105 VanDerWaalsContact C-N 3.27Å; I103-S105 PolarHBondContact O-N 3.31Å; S105-I107 VanDerWaalsContact C-N 3.31Å; S105-I107 PolarHBondContact O-N 3.41Å; S105-K109 WeakPolarHBondContact O-CB 3.47Å; S105-K109 PolarHBondContact O-N 3.42Å
106A92.8Very high94.4Very high37 Ų3757.8 Ų57.831%0.30630%0.301SS..Hα-helixtrans-61.2-38.8175.300000112.6G102 I103 M191G102-A106 WeakPolarHBondContact O-CB 3.22Å; G102-A106 PolarHBondContact O-N 3.46Å; I103-A106 WeakPolarHBondContact O-CB 3.11Å; I103-A106 PolarHBondContact O-N 3.49Å; I103-A106 VanDerWaalsContact O-N 3.12Å; A106-M191 HydrophobicContact CB-SD 3.65Å
107I94.6Very high94.4Very high126 Ų12655.3 Ų55.365%0.64629%0.288SS*.Hα-helixtrans-79.7-41.1-178.3-62.4167.3000111.7I103 I104 S105I103-I107 HydrophobicContact CG2-CD1 3.76Å; I103-I107 WeakPolarHBondContact O-CG1 3.4Å; I103-I107 PolarHBondContact O-N 3.4Å; I103-I107 VanDerWaalsContact O-N 3.08Å; I104-I107 PolarHBondContact O-N 2.87Å; S105-I107 VanDerWaalsContact C-N 3.31Å; S105-I107 PolarHBondContact O-N 3.41Å
108S92Very high94.5Very high23 Ų2355.3 Ų55.316%0.16129%0.293CS..Hα-helixtrans-86.7-13.7-171.259.70000115I104 D110 Q111 F112I104-S108 VanDerWaalsContact O-CB 3.3Å; I104-S108 WeakPolarHBondContact O-CB 3.49Å; I104-S108 PolarHBondContact O-N 3.01Å; I104-S108 PolarHBondContact O-OG 2.87Å; S108-D110 VanDerWaalsContact C-N 3.3Å; S108-D110 PolarHBondContact O-N 3.14Å; S108-Q111 PolarHBondContact O-N 3.35Å; S108-F112 PolarHBondContact O-N 3.39Å; S108-F112 VanDerWaalsContact O-N 3.09Å
109K92.4Very high94.6Very high67 Ų6755.2 Ų55.229%0.29129%0.293SS..Hα-helixtrans-54.8-40.5-176.168.2-176.1-175.7171.80113.6S105 F112 F113S105-K109 WeakPolarHBondContact O-CB 3.47Å; S105-K109 PolarHBondContact O-N 3.42Å; K109-F112 WeakPolarHBondContact O-CB 3.28Å; K109-F112 PolarHBondContact O-N 3.03Å; K109-F113 HydrophobicContact CB-CE2 4.21Å; K109-F113 WeakPolarHBondContact O-CD2 3.26Å; K109-F113 PolarHBondContact O-N 2.91Å; K109-F113 VanDerWaalsContact O-N 3.09Å
110D93Very high94.8Very high103 Ų10350.3 Ų50.355%0.55127%0.271SS*.Hα-helixtrans-71.3-41-174-62-31.2000110.8S108 F112 F113 V114S108-D110 VanDerWaalsContact C-N 3.3Å; S108-D110 PolarHBondContact O-N 3.14Å; D110-F112 VanDerWaalsContact C-N 3.29Å; D110-F112 PolarHBondContact O-N 3.05Å; D110-F113 PolarHBondContact O-N 3.38Å; D110-V114 WeakPolarHBondContact O-CG2 3.31Å; D110-V114 PolarHBondContact O-N 3.17Å
111Q94.1Very high94.9Very high148 Ų14851 Ų5169%0.69227%0.268SS*.Hα-helixtrans-62.6-38173.9-65.1-178-400111.6S108 V114 K115S108-Q111 PolarHBondContact O-N 3.35Å; Q111-V114 PolarHBondContact O-N 2.81Å; Q111-K115 PolarHBondContact O-N 2.94Å
112F93.3Very high95.1Very high21 Ų2156 Ų569%0.09229%0.291CS..Hα-helixtrans-59.6-47.2174.1169.9-90.2000111.5T50 K51 P52 S108 K109 D110 V114 K115 V116 I183 I187T50-F112 HydrophobicContact CG2-CD2 3.62Å; T50-F112 HydrophobicContact CG2-CE2 3.54Å; T50-F112 HydrophobicContact CG2-CZ 4.46Å; K51-F112 VanDerWaalsContact C-CE2 3.46Å; P52-F112 HydrophobicContact CB-CE2 4.35Å; P52-F112 VanDerWaalsContact CD-CE2 3.44Å; P52-F112 HydrophobicContact CG-CD2 4.43Å; P52-F112 HydrophobicContact CG-CE1 4.19Å; P52-F112 HydrophobicContact CG-CE2 3.69Å; P52-F112 HydrophobicContact CG-CZ 3.57Å; P52-F112 VanDerWaalsContact N-CE2 3.33Å; S108-F112 PolarHBondContact O-N 3.39Å; S108-F112 VanDerWaalsContact O-N 3.09Å; K109-F112 WeakPolarHBondContact O-CB 3.28Å; K109-F112 PolarHBondContact O-N 3.03Å; D110-F112 VanDerWaalsContact C-N 3.29Å; D110-F112 PolarHBondContact O-N 3.05Å; F112-V114 PolarHBondContact O-N 3.06Å; F112-K115 PolarHBondContact O-N 2.95Å; F112-K115 VanDerWaalsContact O-N 3.16Å; F112-V116 HydrophobicContact CD1-CG2 4.2Å; F112-V116 HydrophobicContact CE1-CG2 3.61Å; F112-V116 HydrophobicContact CE2-CG2 4.08Å; F112-V116 HydrophobicContact CZ-CG2 3.53Å; F112-V116 WeakPolarHBondContact O-CG2 3.42Å; F112-V116 PolarHBondContact O-N 3.02Å; F112-I183 HydrophobicContact CD1-CG2 4.42Å; F112-I183 HydrophobicContact CE1-CB 4.37Å; F112-I183 HydrophobicContact CE1-CD1 3.94Å; F112-I183 HydrophobicContact CE1-CG2 3.58Å; F112-I183 HydrophobicContact CZ-CD1 3.76Å; F112-I183 HydrophobicContact CZ-CG2 4.09Å; F112-I187 HydrophobicContact CD1-CD1 4.49Å
113F95.2Very high95.3Very high23 Ų2356 Ų5610%0.10129%0.291CS..Hα-helixtrans-68.1-34.1179.5-66.1-56.7000113.4K109 D110 K115 V116 N117 T180 I183 Q184 I187K109-F113 HydrophobicContact CB-CE2 4.21Å; K109-F113 WeakPolarHBondContact O-CD2 3.26Å; K109-F113 PolarHBondContact O-N 2.91Å; K109-F113 VanDerWaalsContact O-N 3.09Å; D110-F113 PolarHBondContact O-N 3.38Å; F113-K115 VanDerWaalsContact C-N 3.29Å; F113-K115 PolarHBondContact O-N 3.34Å; F113-V116 PolarHBondContact O-N 3.16Å; F113-N117 WeakPolarHBondContact O-CB 3.46Å; F113-N117 PolarHBondContact O-N 3.43Å; F113-T180 HydrophobicContact CB-CG2 4.45Å; F113-T180 HydrophobicContact CD1-CG2 3.55Å; F113-T180 HydrophobicContact CD2-CG2 4.47Å; F113-T180 HydrophobicContact CE1-CG2 3.86Å; F113-T180 HydrophobicContact CG-CG2 3.91Å; F113-T180 HydrophobicContact CZ-CG2 4.45Å; F113-I183 HydrophobicContact CE1-CB 4.07Å; F113-I183 HydrophobicContact CE1-CG2 4.02Å; F113-I183 HydrophobicContact CZ-CG2 4.25Å; F113-Q184 HydrophobicContact CE1-CB 4.4Å; F113-Q184 HydrophobicContact CE2-CB 4.17Å; F113-Q184 HydrophobicContact CE2-CG 4.48Å; F113-Q184 HydrophobicContact CZ-CB 3.65Å; F113-Q184 HydrophobicContact CZ-CG 4.41Å; F113-I187 HydrophobicContact CZ-CD1 4.33Å
114V96.5Very high95.4Very high99 Ų9953.1 Ų53.160%0.628%0.276SS*.Hα-helixtrans-60.3-42.6171.1172.80000110.7D110 Q111 F112 N117 S118D110-V114 WeakPolarHBondContact O-CG2 3.31Å; D110-V114 PolarHBondContact O-N 3.17Å; Q111-V114 PolarHBondContact O-N 2.81Å; F112-V114 PolarHBondContact O-N 3.06Å; V114-N117 PolarHBondContact O-N 3.35Å; V114-S118 PolarHBondContact O-N 3.49Å; V114-S118 PolarHBondContact O-OG 3.47Å
115K95.6Very high95.5Very high94 Ų9452.9 Ų52.941%0.40928%0.279SS..Hα-helixtrans-68.7-39.8178.3-175.166.3-178.9-179.90112.5T50 Q111 F112 F113 N117 S118 S119T50-K115 HydrophobicContact CG2-CB 4.04Å; T50-K115 HydrophobicContact CG2-CG 3.7Å; T50-K115 WeakPolarHBondContact OG1-CG 3.48Å; Q111-K115 PolarHBondContact O-N 2.94Å; F112-K115 PolarHBondContact O-N 2.95Å; F112-K115 VanDerWaalsContact O-N 3.16Å; F113-K115 VanDerWaalsContact C-N 3.29Å; F113-K115 PolarHBondContact O-N 3.34Å; K115-N117 VanDerWaalsContact C-N 3.33Å; K115-S118 PolarHBondContact O-OG 2.81Å; K115-S119 VanDerWaalsContact O-CB 3.27Å; K115-S119 WeakPolarHBondContact O-CB 3.47Å; K115-S119 PolarHBondContact O-N 3.45Å; K115-S119 PolarHBondContact O-OG 2.91Å
116V95.7Very high95.6Very high0 Ų056.4 Ų56.40%029%0.294CS..Hα-helixtrans-59.9-46.2172.9168.70000110.5L47 T50 F112 F113 S119 L120 I179L47-V116 HydrophobicContact CD2-CB 4.46Å; L47-V116 HydrophobicContact CD2-CG1 3.91Å; L47-V116 HydrophobicContact CD2-CG2 4.31Å; T50-V116 HydrophobicContact CG2-CG2 4.21Å; F112-V116 HydrophobicContact CD1-CG2 4.2Å; F112-V116 HydrophobicContact CE1-CG2 3.61Å; F112-V116 HydrophobicContact CE2-CG2 4.08Å; F112-V116 HydrophobicContact CZ-CG2 3.53Å; F112-V116 WeakPolarHBondContact O-CG2 3.42Å; F112-V116 PolarHBondContact O-N 3.02Å; F113-V116 PolarHBondContact O-N 3.16Å; V116-S119 PolarHBondContact O-N 3.39Å; V116-L120 HydrophobicContact CG1-CD1 4.12Å; V116-L120 PolarHBondContact O-N 2.62Å; V116-I179 HydrophobicContact CG1-CB 4.49Å; V116-I179 HydrophobicContact CG1-CG2 3.95Å
117N97.7Very high95.7Very high54 Ų5454.8 Ų54.829%0.28928%0.28SS..Hα-helixtrans-58.7-51.4179.2178.440000112.3F113 V114 K115 Q121 V176F113-N117 WeakPolarHBondContact O-CB 3.46Å; F113-N117 PolarHBondContact O-N 3.43Å; V114-N117 PolarHBondContact O-N 3.35Å; K115-N117 VanDerWaalsContact C-N 3.33Å; N117-Q121 PolarHBondContact ND2-NE2 3.21Å; N117-Q121 WeakPolarHBondContact O-CG 3.29Å; N117-Q121 PolarHBondContact O-N 3.48Å; N117-Q121 PolarHBondContact OD1-NE2 3.27Å; N117-V176 HydrophobicContact CB-CG1 3.78Å; N117-V176 WeakPolarHBondContact OD1-CG1 3.01Å
118S97.6Very high95.7Very high51 Ų5153.9 Ų53.936%0.35727%0.273SS..Hα-helixtrans-66.2-40.7179.356.80000112.5V114 K115 L120 Q121 E122V114-S118 PolarHBondContact O-N 3.49Å; V114-S118 PolarHBondContact O-OG 3.47Å; K115-S118 PolarHBondContact O-OG 2.81Å; S118-L120 PolarHBondContact O-N 3.5Å; S118-Q121 PolarHBondContact O-N 3.44Å; S118-E122 WeakPolarHBondContact O-CB 3.03Å; S118-E122 PolarHBondContact O-N 3.42Å
119S97.4Very high95.8Very high0 Ų060.2 Ų60.20%030%0.3CS..Hα-helixtrans-64.2-42.2-178.7-53.20000112.2I46 H48 K115 V116 E122 S123I46-S119 CarbonylContact O-C 3.58Å; H48-S119 PolarHBondContact ND1-OG 3.48Å; K115-S119 VanDerWaalsContact O-CB 3.27Å; K115-S119 WeakPolarHBondContact O-CB 3.47Å; K115-S119 PolarHBondContact O-N 3.45Å; K115-S119 PolarHBondContact O-OG 2.91Å; V116-S119 PolarHBondContact O-N 3.39Å; S119-E122 PolarHBondContact O-N 2.79Å; S119-S123 WeakPolarHBondContact O-CB 3.24Å; S119-S123 PolarHBondContact O-N 3.08Å; S119-S123 PolarHBondContact O-OG 3.41Å
120L97.8Very high96Very high0 Ų059.4 Ų59.40%030%0.299CS..Hα-helixtrans-66.7-42.7176-75.7178.2000112.1I46 L47 V116 S118 E122 S123 I124 Y137 L140 A149 C175 V176 I179I46-L120 HydrophobicContact CB-CD2 4.3Å; I46-L120 HydrophobicContact CD1-CD2 3.99Å; I46-L120 HydrophobicContact CG1-CD2 4.14Å; L47-L120 HydrophobicContact CD2-CD1 4.5Å; L47-L120 HydrophobicContact CD2-CD2 4.11Å; L47-L120 HydrophobicContact CD2-CG 4.04Å; V116-L120 HydrophobicContact CG1-CD1 4.12Å; V116-L120 PolarHBondContact O-N 2.62Å; S118-L120 PolarHBondContact O-N 3.5Å; L120-E122 VanDerWaalsContact C-N 3.3Å; L120-E122 PolarHBondContact O-N 2.81Å; L120-S123 PolarHBondContact O-N 3.43Å; L120-I124 PolarHBondContact O-N 3.24Å; L120-I124 VanDerWaalsContact O-N 3.07Å; L120-Y137 VanDerWaalsContact C-OH 3.3Å; L120-Y137 WeakPolarHBondContact CB-OH 3.15Å; L120-Y137 HydrophobicContact CD2-CE1 4.47Å; L120-Y137 HydrophobicContact CD2-CE2 4.25Å; L120-Y137 PolarHBondContact O-OH 3.25Å; L120-L140 HydrophobicContact CD2-CD2 3.89Å; L120-A149 HydrophobicContact CB-CB 4.25Å; L120-C175 HydrophobicContact CD1-CB 4.45Å; L120-V176 HydrophobicContact CB-CG2 3.79Å; L120-V176 HydrophobicContact CD1-CB 4.28Å; L120-V176 HydrophobicContact CD1-CG2 3.64Å; L120-V176 HydrophobicContact CG-CG2 4.37Å; L120-I179 HydrophobicContact CD1-CD1 4.04Å
121Q97.9Very high96.1Very high70 Ų7063.2 Ų63.233%0.32731%0.307SS..Hα-helixtrans-65.9-31.5177-74.8-171.358.500113.1N117 S118 I124 A149 L150N117-Q121 PolarHBondContact ND2-NE2 3.21Å; N117-Q121 WeakPolarHBondContact O-CG 3.29Å; N117-Q121 PolarHBondContact O-N 3.48Å; N117-Q121 PolarHBondContact OD1-NE2 3.27Å; S118-Q121 PolarHBondContact O-N 3.44Å; Q121-I124 WeakPolarHBondContact O-CG2 3.49Å; Q121-A149 HydrophobicContact CB-CB 4.45Å; Q121-A149 HydrophobicContact CG-CB 3.85Å; Q121-L150 HydrophobicContact CG-CD1 4.45Å; Q121-L150 HydrophobicContact CG-CD2 4.49Å; Q121-L150 HydrophobicContact CG-CG 4.18Å
122E97.2Very high96.2Very high111 Ų11161.6 Ų61.652%0.51930%0.3SS..Hα-helixtrans-75.3-48.9174.5-172.1174.4173.900110.6H48 S118 S119 L120 I124 T125H48-E122 IonicContact CE1-OE2 3.54Å; H48-E122 PolarHBondContact CE1-OE2 3.45Å; H48-E122 VanDerWaalsContact CE1-OE2 3.24Å; H48-E122 IonicContact ND1-OE2 3.36Å; S118-E122 WeakPolarHBondContact O-CB 3.03Å; S118-E122 PolarHBondContact O-N 3.42Å; S119-E122 PolarHBondContact O-N 2.79Å; L120-E122 VanDerWaalsContact C-N 3.3Å; L120-E122 PolarHBondContact O-N 2.81Å; E122-I124 VanDerWaalsContact C-N 3.29Å; E122-I124 PolarHBondContact O-N 3.29Å; E122-T125 WeakPolarHBondContact O-CB 3.21Å; E122-T125 PolarHBondContact O-N 3.48Å; E122-T125 PolarHBondContact O-OG1 2.96Å
123S97.2Very high96.4Very high0 Ų060.7 Ų60.70%030%0.296CS..Hα-helixtrans-60.8-34.7-177.2-67.70000113.3I46 H48 S119 L120 T125 Q126 I133I46-S123 WeakPolarHBondContact CA-OG 3.33Å; I46-S123 PolarHBondContact O-OG 2.81Å; I46-S123 VanDerWaalsContact O-OG 3.08Å; H48-S123 PolarHBondContact NE2-OG 3.45Å; S119-S123 WeakPolarHBondContact O-CB 3.24Å; S119-S123 PolarHBondContact O-N 3.08Å; S119-S123 PolarHBondContact O-OG 3.41Å; L120-S123 PolarHBondContact O-N 3.43Å; S123-T125 PolarHBondContact O-N 3.29Å; S123-Q126 PolarHBondContact O-N 2.69Å; S123-Q126 VanDerWaalsContact O-N 3.08Å; S123-I133 VanDerWaalsContact O-CG2 3.29Å; S123-I133 WeakPolarHBondContact O-CG2 3.36Å
124I97.1Very high96.5Very high6 Ų663.2 Ų63.23%0.03131%0.307CS..G310 helixtrans-62.9-27.1179.1-162.773.3000112.1L120 Q121 E122 Q126 Y127 Y137 A149 D154 Y155 I158L120-I124 PolarHBondContact O-N 3.24Å; L120-I124 VanDerWaalsContact O-N 3.07Å; Q121-I124 WeakPolarHBondContact O-CG2 3.49Å; E122-I124 VanDerWaalsContact C-N 3.29Å; E122-I124 PolarHBondContact O-N 3.29Å; I124-Q126 PolarHBondContact O-N 3.39Å; I124-Y127 HydrophobicContact CD1-CD2 4.23Å; I124-Y127 WeakPolarHBondContact O-CB 3.43Å; I124-Y127 PolarHBondContact O-N 2.89Å; I124-Y127 VanDerWaalsContact O-N 3.16Å; I124-Y137 HydrophobicContact CB-CE2 3.95Å; I124-Y137 HydrophobicContact CD1-CD1 3.88Å; I124-Y137 HydrophobicContact CD1-CD2 4.1Å; I124-Y137 HydrophobicContact CD1-CE1 3.62Å; I124-Y137 HydrophobicContact CD1-CE2 3.85Å; I124-Y137 HydrophobicContact CD1-CG 4.11Å; I124-A149 HydrophobicContact CG2-CB 4.29Å; I124-D154 HydrophobicContact CG1-CB 4.26Å; I124-D154 HydrophobicContact CG2-CB 4.39Å; I124-Y155 HydrophobicContact CD1-CE1 3.78Å; I124-Y155 HydrophobicContact CD1-CE2 4.39Å; I124-Y155 HydrophobicContact CG1-CE1 4.49Å; I124-I158 WeakPolarHBondContact O-CD1 3.28Å
125T96.8Very high96.6Very high74 Ų7461.9 Ų61.945%0.45430%0.296SS..G310 helixtrans-65.6-25.517870.60000112.8E122 S123E122-T125 WeakPolarHBondContact O-CB 3.21Å; E122-T125 PolarHBondContact O-N 3.48Å; E122-T125 PolarHBondContact O-OG1 2.96Å; S123-T125 PolarHBondContact O-N 3.29Å
126Q95.4Very high96.7Very high77 Ų7758.4 Ų58.436%0.3628%0.281SS..G310 helixtrans-97.78.7179.4-62.8-176.7-15.700113S123 I124 H128 Q129 N130 I133S123-Q126 PolarHBondContact O-N 2.69Å; S123-Q126 VanDerWaalsContact O-N 3.08Å; I124-Q126 PolarHBondContact O-N 3.39Å; Q126-H128 VanDerWaalsContact C-N 3.27Å; Q126-H128 PolarHBondContact O-N 3.48Å; Q126-H128 VanDerWaalsContact O-N 3.11Å; Q126-Q129 PolarHBondContact O-N 3.47Å; Q126-N130 PolarHBondContact O-N 3.42Å; Q126-I133 HydrophobicContact CB-CD1 3.71Å
127Y96.2Very high96.7Very high3 Ų358.4 Ų58.41%0.01228%0.281CS..THydrogen-bonded Turntrans-54.6-34.9-172.6178-88.7000114.5I124 K134 Y137 N138 Y155 P163I124-Y127 HydrophobicContact CD1-CD2 4.23Å; I124-Y127 WeakPolarHBondContact O-CB 3.43Å; I124-Y127 PolarHBondContact O-N 2.89Å; I124-Y127 VanDerWaalsContact O-N 3.16Å; Y127-K134 HydrophobicContact CD1-CG 4.5Å; Y127-K134 HydrophobicContact CD2-CG 4.46Å; Y127-K134 HydrophobicContact CE1-CD 4.42Å; Y127-K134 HydrophobicContact CE1-CG 3.98Å; Y127-K134 HydrophobicContact CE2-CB 4.48Å; Y127-K134 HydrophobicContact CE2-CG 3.93Å; Y127-K134 VanDerWaalsContact O-CB 3.26Å; Y127-K134 WeakPolarHBondContact O-CB 3.46Å; Y127-Y137 HydrophobicContact CD2-CG 4.32Å; Y127-N138 VanDerWaalsContact OH-CG 3.32Å; Y127-N138 PolarHBondContact OH-ND2 3.29Å; Y127-N138 PolarHBondContact OH-OD1 2.84Å; Y127-Y155 HydrophobicContact CD1-CD1 4.46Å; Y127-Y155 AromaticContact CD1-CE1 3.84Å; Y127-Y155 HydrophobicContact CD1-CE1 3.84Å; Y127-Y155 HydrophobicContact CD2-CE1 4.01Å; Y127-Y155 AromaticContact CE1-CE1 3.96Å; Y127-Y155 HydrophobicContact CE1-CE1 3.96Å; Y127-Y155 HydrophobicContact CE2-CE1 4.12Å; Y127-Y155 AromaticContact CG-CE1 3.88Å; Y127-Y155 HydrophobicContact CG-CE1 3.88Å; Y127-P163 HydrophobicContact CE1-CB 4.43Å; Y127-P163 WeakPolarHBondContact OH-CB 3.2Å
128H93.7Very high96.7Very high107 Ų10757.5 Ų57.550%0.49528%0.277SS..THydrogen-bonded Turntrans-95-14.5175.7-78-72.3000114.5Q126 S160Q126-H128 VanDerWaalsContact C-N 3.27Å; Q126-H128 PolarHBondContact O-N 3.48Å; Q126-H128 VanDerWaalsContact O-N 3.11Å; H128-S160 PolarHBondContact CD2-OG 2.85Å; H128-S160 PolarHBondContact NE2-OG 2.67Å
129Q94Very high96.7Very high156 Ų15658.1 Ų58.173%0.72928%0.276SS*.THydrogen-bonded Turntrans-88.2-30.8-175.4-64.5174.1-1600111.6Q126Q126-Q129 PolarHBondContact O-N 3.47Å
130N95.9Very high96.7Very high50 Ų5058.1 Ų58.127%0.26728%0.276SS..  trans-121.8117.9-177.2-177-28.7000110.3Q126 E132 I133 K134Q126-N130 PolarHBondContact O-N 3.42Å; N130-E132 VanDerWaalsContact C-N 3.33Å; N130-E132 PolarHBondContact O-N 3.29Å; N130-E132 WeakPolarHBondContact OD1-CB 3.4Å; N130-E132 PolarHBondContact OD1-N 2.92Å; N130-I133 HydrophobicContact CB-CB 3.99Å; N130-I133 HydrophobicContact CB-CD1 3.88Å; N130-I133 HydrophobicContact CB-CG1 3.98Å; N130-I133 PolarHBondContact O-N 3.11Å; N130-I133 PolarHBondContact OD1-N 3.15Å; N130-K134 WeakPolarHBondContact O-CB 3.24Å; N130-K134 PolarHBondContact O-N 3.34Å
131Y96.5Very high96.7Very high183 Ų18358.2 Ų58.272%0.71828%0.276SS*.Hα-helixtrans-61.7-37.8180176.1-97.6000113K134 N135Y131-K134 WeakPolarHBondContact O-CB 3.41Å; Y131-K134 PolarHBondContact O-N 2.84Å; Y131-N135 WeakPolarHBondContact O-CB 3.39Å; Y131-N135 PolarHBondContact O-N 2.97Å
132E96.4Very high96.7Very high114 Ų11460.3 Ų60.353%0.53329%0.289SS..Hα-helixtrans-68.8-45.8-179.7-58.8-179.4165.800110.7I45 N130 K134 N135 E136I45-E132 HydrophobicContact CD1-CB 3.59Å; I45-E132 HydrophobicContact CD1-CG 4.33Å; I45-E132 WeakPolarHBondContact CD1-OE2 3.19Å; N130-E132 VanDerWaalsContact C-N 3.33Å; N130-E132 PolarHBondContact O-N 3.29Å; N130-E132 WeakPolarHBondContact OD1-CB 3.4Å; N130-E132 PolarHBondContact OD1-N 2.92Å; E132-K134 VanDerWaalsContact C-N 3.32Å; E132-K134 PolarHBondContact O-N 3.18Å; E132-N135 PolarHBondContact O-N 3.04Å; E132-E136 PolarHBondContact O-N 3.33Å
133I97Very high96.6Very high3 Ų358.2 Ų58.22%0.01529%0.286CS..Hα-helixtrans-56.5-47.8172.5-70.2-179.7000110.1I45 I46 S123 Q126 N130 N135 E136 Y137I45-I133 HydrophobicContact CG2-CD1 4.43Å; I45-I133 HydrophobicContact CG2-CG1 3.69Å; I46-I133 HydrophobicContact CG2-CB 4.43Å; I46-I133 HydrophobicContact CG2-CG2 4.12Å; S123-I133 VanDerWaalsContact O-CG2 3.29Å; S123-I133 WeakPolarHBondContact O-CG2 3.36Å; Q126-I133 HydrophobicContact CB-CD1 3.71Å; N130-I133 HydrophobicContact CB-CB 3.99Å; N130-I133 HydrophobicContact CB-CD1 3.88Å; N130-I133 HydrophobicContact CB-CG1 3.98Å; N130-I133 PolarHBondContact O-N 3.11Å; N130-I133 PolarHBondContact OD1-N 3.15Å; I133-N135 VanDerWaalsContact C-N 3.31Å; I133-N135 PolarHBondContact O-N 2.84Å; I133-E136 PolarHBondContact O-N 3.43Å; I133-Y137 HydrophobicContact CG2-CD2 4.27Å; I133-Y137 WeakPolarHBondContact O-CB 3.35Å; I133-Y137 PolarHBondContact O-N 2.93Å
134K97.2Very high96.5Very high75 Ų7560.1 Ų60.133%0.32630%0.295SS..Hα-helixtrans-55.4-46.7177.4-170.1174.8177.4172.70112Y127 N130 Y131 E132 N138Y127-K134 HydrophobicContact CD1-CG 4.5Å; Y127-K134 HydrophobicContact CD2-CG 4.46Å; Y127-K134 HydrophobicContact CE1-CD 4.42Å; Y127-K134 HydrophobicContact CE1-CG 3.98Å; Y127-K134 HydrophobicContact CE2-CB 4.48Å; Y127-K134 HydrophobicContact CE2-CG 3.93Å; Y127-K134 VanDerWaalsContact O-CB 3.26Å; Y127-K134 WeakPolarHBondContact O-CB 3.46Å; N130-K134 WeakPolarHBondContact O-CB 3.24Å; N130-K134 PolarHBondContact O-N 3.34Å; Y131-K134 WeakPolarHBondContact O-CB 3.41Å; Y131-K134 PolarHBondContact O-N 2.84Å; E132-K134 VanDerWaalsContact C-N 3.32Å; E132-K134 PolarHBondContact O-N 3.18Å; K134-N138 WeakPolarHBondContact O-CB 3.42Å; K134-N138 PolarHBondContact O-N 3.3Å; K134-N138 PolarHBondContact O-ND2 2.96Å
135N97.4Very high96.5Very high72 Ų7261.4 Ų61.439%0.38531%0.309SS..Hα-helixtrans-66.9-49.5-178.2-176.860000111.7Y131 E132 I133 Y137 N138 N139Y131-N135 WeakPolarHBondContact O-CB 3.39Å; Y131-N135 PolarHBondContact O-N 2.97Å; E132-N135 PolarHBondContact O-N 3.04Å; I133-N135 VanDerWaalsContact C-N 3.31Å; I133-N135 PolarHBondContact O-N 2.84Å; N135-Y137 PolarHBondContact O-N 2.91Å; N135-N138 PolarHBondContact O-N 3.18Å; N135-N139 WeakPolarHBondContact O-CB 3.31Å; N135-N139 VanDerWaalsContact O-CG 3.25Å; N135-N139 PolarHBondContact O-N 2.85Å; N135-N139 PolarHBondContact O-ND2 3.18Å
136E97.6Very high96.6Very high20 Ų2057.9 Ų57.99%0.09329%0.288CS..Hα-helixtrans-61.2-43.5177.3-70.9-161.2170.900111.8K42 F43 L44 I45 I46 E132 I133 N138 N139 L140K42-E136 VanDerWaalsContact O-CG 3.32Å; K42-E136 WeakPolarHBondContact O-CG 3.47Å; F43-E136 VanDerWaalsContact CA-OE2 3.28Å; F43-E136 WeakPolarHBondContact CA-OE2 3.41Å; L44-E136 PolarHBondContact N-OE1 2.99Å; L44-E136 PolarHBondContact N-OE2 2.79Å; I45-E136 WeakPolarHBondContact CA-OE2 3.42Å; I45-E136 WeakPolarHBondContact CB-OE2 3.2Å; I45-E136 WeakPolarHBondContact CG1-OE1 3.43Å; I45-E136 PolarHBondContact N-OE1 3.32Å; I45-E136 PolarHBondContact N-OE2 3.4Å; I46-E136 HydrophobicContact CD1-CB 4.11Å; I46-E136 HydrophobicContact CG1-CB 4.26Å; I46-E136 HydrophobicContact CG2-CB 3.71Å; I46-E136 PolarHBondContact N-OE2 3.29Å; E132-E136 PolarHBondContact O-N 3.33Å; I133-E136 PolarHBondContact O-N 3.43Å; E136-N138 PolarHBondContact O-N 3.2Å; E136-N139 PolarHBondContact O-N 3.34Å; E136-L140 WeakPolarHBondContact O-CB 3.43Å; E136-L140 PolarHBondContact O-N 3.24Å
137Y97.5Very high96.7Very high0 Ų054.2 Ų54.20%027%0.271CS..Hα-helixtrans-63.5-42.2176.4-118.6-70.3000112.3I46 L120 I124 Y127 I133 N135 N139 L140 Q141 A149I46-Y137 HydrophobicContact CB-CD2 4.24Å; I46-Y137 HydrophobicContact CB-CE2 4.38Å; I46-Y137 HydrophobicContact CD1-CD2 4.46Å; I46-Y137 HydrophobicContact CG2-CD2 3.74Å; I46-Y137 HydrophobicContact CG2-CE2 4.33Å; L120-Y137 VanDerWaalsContact C-OH 3.3Å; L120-Y137 WeakPolarHBondContact CB-OH 3.15Å; L120-Y137 HydrophobicContact CD2-CE1 4.47Å; L120-Y137 HydrophobicContact CD2-CE2 4.25Å; L120-Y137 PolarHBondContact O-OH 3.25Å; I124-Y137 HydrophobicContact CB-CE2 3.95Å; I124-Y137 HydrophobicContact CD1-CD1 3.88Å; I124-Y137 HydrophobicContact CD1-CD2 4.1Å; I124-Y137 HydrophobicContact CD1-CE1 3.62Å; I124-Y137 HydrophobicContact CD1-CE2 3.85Å; I124-Y137 HydrophobicContact CD1-CG 4.11Å; Y127-Y137 HydrophobicContact CD2-CG 4.32Å; I133-Y137 HydrophobicContact CG2-CD2 4.27Å; I133-Y137 WeakPolarHBondContact O-CB 3.35Å; I133-Y137 PolarHBondContact O-N 2.93Å; N135-Y137 PolarHBondContact O-N 2.91Å; Y137-N139 VanDerWaalsContact C-N 3.34Å; Y137-N139 PolarHBondContact O-N 3.48Å; Y137-L140 WeakPolarHBondContact O-CB 3.47Å; Y137-L140 PolarHBondContact O-N 2.91Å; Y137-Q141 HydrophobicContact CD1-CG 4.4Å; Y137-Q141 WeakPolarHBondContact O-CB 3.43Å; Y137-Q141 VanDerWaalsContact O-CG 3.27Å; Y137-Q141 WeakPolarHBondContact O-CG 3.25Å; Y137-Q141 PolarHBondContact O-N 2.67Å; Y137-A149 WeakPolarHBondContact OH-CB 3.38Å
138N97.8Very high96.8Very high35 Ų3554 Ų5419%0.18727%0.27CS..Hα-helixtrans-61.3-44.8176.1-77.6-22.5000111.5Y127 K134 N135 E136 L140 Q141 I142 S165Y127-N138 VanDerWaalsContact OH-CG 3.32Å; Y127-N138 PolarHBondContact OH-ND2 3.29Å; Y127-N138 PolarHBondContact OH-OD1 2.84Å; K134-N138 WeakPolarHBondContact O-CB 3.42Å; K134-N138 PolarHBondContact O-N 3.3Å; K134-N138 PolarHBondContact O-ND2 2.96Å; N135-N138 PolarHBondContact O-N 3.18Å; E136-N138 PolarHBondContact O-N 3.2Å; N138-L140 VanDerWaalsContact C-N 3.3Å; N138-L140 PolarHBondContact O-N 2.62Å; N138-Q141 PolarHBondContact O-N 2.93Å; N138-I142 WeakPolarHBondContact O-CD1 3.4Å; N138-I142 VanDerWaalsContact O-CG1 3.28Å; N138-I142 WeakPolarHBondContact O-CG1 3.26Å; N138-I142 PolarHBondContact O-N 3.19Å; N138-S165 WeakPolarHBondContact OD1-CB 3.25Å; N138-S165 PolarHBondContact OD1-OG 2.89Å
139N97.2Very high97Very high65 Ų6549 Ų4935%0.34825%0.246SC..Hα-helixtrans-61.9-41176.2-70.4-26.3000111.2F43 N135 E136 Y137 I142 S143F43-N139 HydrophobicContact CE1-CB 4.16Å; N135-N139 WeakPolarHBondContact O-CB 3.31Å; N135-N139 VanDerWaalsContact O-CG 3.25Å; N135-N139 PolarHBondContact O-N 2.85Å; N135-N139 PolarHBondContact O-ND2 3.18Å; E136-N139 PolarHBondContact O-N 3.34Å; Y137-N139 VanDerWaalsContact C-N 3.34Å; Y137-N139 PolarHBondContact O-N 3.48Å; N139-I142 PolarHBondContact O-N 2.9Å; N139-S143 VanDerWaalsContact O-CB 3.25Å; N139-S143 WeakPolarHBondContact O-CB 3.42Å; N139-S143 PolarHBondContact O-N 3.35Å; N139-S143 PolarHBondContact O-OG 3.12Å
140L97.3Very high97.2Very high0 Ų045.4 Ų45.40%023%0.232CC..Hα-helixtrans-62.4-48.7178-176.470.8000111.5F43 I46 L120 E136 Y137 N138 I142 S143 F144 C175 I179F43-L140 HydrophobicContact CD1-CB 3.98Å; F43-L140 HydrophobicContact CD1-CD1 3.99Å; F43-L140 HydrophobicContact CD2-CD1 4.34Å; F43-L140 HydrophobicContact CE1-CB 3.79Å; F43-L140 HydrophobicContact CE1-CD1 3.91Å; F43-L140 HydrophobicContact CE2-CD1 4.26Å; F43-L140 HydrophobicContact CG-CD1 4.22Å; F43-L140 HydrophobicContact CZ-CD1 4.04Å; I46-L140 HydrophobicContact CD1-CB 4.1Å; I46-L140 HydrophobicContact CD1-CD2 3.71Å; I46-L140 HydrophobicContact CD1-CG 4.43Å; L120-L140 HydrophobicContact CD2-CD2 3.89Å; E136-L140 WeakPolarHBondContact O-CB 3.43Å; E136-L140 PolarHBondContact O-N 3.24Å; Y137-L140 WeakPolarHBondContact O-CB 3.47Å; Y137-L140 PolarHBondContact O-N 2.91Å; N138-L140 VanDerWaalsContact C-N 3.3Å; N138-L140 PolarHBondContact O-N 2.62Å; L140-I142 VanDerWaalsContact C-N 3.33Å; L140-I142 PolarHBondContact O-N 3.42Å; L140-S143 PolarHBondContact O-N 3.08Å; L140-F144 HydrophobicContact CD1-CD2 3.44Å; L140-F144 VanDerWaalsContact CD1-CD2 3.44Å; L140-F144 HydrophobicContact CD1-CE2 3.62Å; L140-F144 HydrophobicContact CD1-CG 4.49Å; L140-F144 HydrophobicContact CG-CD2 4.29Å; L140-F144 PolarHBondContact O-N 3.33Å; L140-C175 HydrophobicContact CD2-CB 3.67Å; L140-C175 HydrophobicContact CG-CB 4.34Å; L140-I179 HydrophobicContact CD1-CD1 3.41Å; L140-I179 VanDerWaalsContact CD1-CD1 3.41Å; L140-I179 HydrophobicContact CD1-CG1 3.67Å; L140-I179 HydrophobicContact CD2-CD1 3.72Å; L140-I179 HydrophobicContact CD2-CG1 4.34Å; L140-I179 HydrophobicContact CG-CD1 4.16Å; L140-I179 HydrophobicContact CG-CG1 4.48Å
141Q98Very high97.3Very high1 Ų144.3 Ų44.31%0.00523%0.228CC..Hα-helixtrans-61-41.3179.7-72-179.815800112.3Y137 N138 G145 C146 Y155 S165 C166Y137-Q141 HydrophobicContact CD1-CG 4.4Å; Y137-Q141 WeakPolarHBondContact O-CB 3.43Å; Y137-Q141 VanDerWaalsContact O-CG 3.27Å; Y137-Q141 WeakPolarHBondContact O-CG 3.25Å; Y137-Q141 PolarHBondContact O-N 2.67Å; N138-Q141 PolarHBondContact O-N 2.93Å; Q141-G145 VanDerWaalsContact O-CA 3.26Å; Q141-G145 WeakPolarHBondContact O-CA 3.29Å; Q141-G145 PolarHBondContact O-N 3.36Å; Q141-C146 WeakPolarHBondContact CA-O 3.49Å; Q141-C146 VanDerWaalsContact CB-O 3.25Å; Q141-C146 WeakPolarHBondContact CB-O 3.38Å; Q141-C146 WeakPolarHBondContact CG-O 3.4Å; Q141-C146 PolarHBondContact O-N 2.8Å; Q141-Y155 VanDerWaalsContact CD-OH 3.28Å; Q141-Y155 PolarHBondContact NE2-OH 3.49Å; Q141-Y155 PolarHBondContact OE1-OH 2.82Å; Q141-S165 PolarHBondContact NE2-OG 2.94Å; Q141-C166 VanDerWaalsContact CD-SG 3.56Å; Q141-C166 PolarHBondContact NE2-SG 3.42Å; Q141-C166 VanDerWaalsContact NE2-SG 3.43Å; Q141-C166 PolarHBondContact OE1-SG 3.13Å
142I97Very high97.3Very high114 Ų11437.6 Ų37.659%0.58520%0.203SC*.Hα-helixtrans-68-44.3176.2-67164.8000110.7N138 N139 L140N138-I142 WeakPolarHBondContact O-CD1 3.4Å; N138-I142 VanDerWaalsContact O-CG1 3.28Å; N138-I142 WeakPolarHBondContact O-CG1 3.26Å; N138-I142 PolarHBondContact O-N 3.19Å; N139-I142 PolarHBondContact O-N 2.9Å; L140-I142 VanDerWaalsContact C-N 3.33Å; L140-I142 PolarHBondContact O-N 3.42Å
143S95.4Very high97.4Very high67 Ų6735.5 Ų35.547%0.46920%0.195SC..Hα-helixtrans-68.7-36.8-174.8-56.90000112.7N139 L140N139-S143 VanDerWaalsContact O-CB 3.25Å; N139-S143 WeakPolarHBondContact O-CB 3.42Å; N139-S143 PolarHBondContact O-N 3.35Å; N139-S143 PolarHBondContact O-OG 3.12Å; L140-S143 PolarHBondContact O-N 3.08Å
144F95.8Very high97.4Very high40 Ų4035.8 Ų35.818%0.17520%0.197CC..Hα-helixtrans-106.8-0.9-175.4-73.5-84.7000114.1Y39 F43 L140 C146 A178 Y182Y39-F144 HydrophobicContact CE1-CE2 4.1Å; Y39-F144 AromaticContact CE1-CZ 3.86Å; Y39-F144 HydrophobicContact CE1-CZ 3.86Å; Y39-F144 WeakPolarHBondContact OH-CE2 3.48Å; F43-F144 HydrophobicContact CE2-CE2 4.22Å; F43-F144 HydrophobicContact CZ-CE2 4.39Å; L140-F144 HydrophobicContact CD1-CD2 3.44Å; L140-F144 VanDerWaalsContact CD1-CD2 3.44Å; L140-F144 HydrophobicContact CD1-CE2 3.62Å; L140-F144 HydrophobicContact CD1-CG 4.49Å; L140-F144 HydrophobicContact CG-CD2 4.29Å; L140-F144 PolarHBondContact O-N 3.33Å; F144-C146 HydrophobicContact CB-CB 4.5Å; F144-C146 PolarHBondContact O-N 2.68Å; F144-A178 HydrophobicContact CB-CB 3.91Å; F144-A178 HydrophobicContact CD1-CB 4.37Å; F144-A178 HydrophobicContact CG-CB 4.41Å; F144-Y182 AromaticContact CE1-CD1 4Å; F144-Y182 HydrophobicContact CE1-CD1 4Å; F144-Y182 HydrophobicContact CE1-CD2 4.04Å; F144-Y182 AromaticContact CE1-CG 3.61Å; F144-Y182 HydrophobicContact CE1-CG 3.61Å; F144-Y182 AromaticContact CZ-CD1 3.98Å; F144-Y182 HydrophobicContact CZ-CD1 3.98Å; F144-Y182 HydrophobicContact CZ-CE1 4.45Å; F144-Y182 HydrophobicContact CZ-CG 4.08Å
145G97.1Very high97.4Very high33 Ų3332.2 Ų32.234%0.3418%0.182SC..THydrogen-bonded Turntrans58.435.7-176.900000112.8Q141 S170Q141-G145 VanDerWaalsContact O-CA 3.26Å; Q141-G145 WeakPolarHBondContact O-CA 3.29Å; Q141-G145 PolarHBondContact O-N 3.36Å; G145-S170 VanDerWaalsContact C-OG 3.31Å; G145-S170 WeakPolarHBondContact O-CB 3.24Å; G145-S170 PolarHBondContact O-OG 2.98Å
146C98.2Very high97.3Very high0 Ų034.2 Ų34.20%019%0.187CC..  trans-109.6165.9-179630000111.5Q141 F144 Y173 C175 A178Q141-C146 WeakPolarHBondContact CA-O 3.49Å; Q141-C146 VanDerWaalsContact CB-O 3.25Å; Q141-C146 WeakPolarHBondContact CB-O 3.38Å; Q141-C146 WeakPolarHBondContact CG-O 3.4Å; Q141-C146 PolarHBondContact O-N 2.8Å; F144-C146 HydrophobicContact CB-CB 4.5Å; F144-C146 PolarHBondContact O-N 2.68Å; C146-Y173 CarbonylContact C-O 3.56Å; C146-Y173 WeakPolarHBondContact CA-O 3.49Å; C146-Y173 HydrophobicContact CB-CD1 4.08Å; C146-Y173 WeakPolarHBondContact CB-O 3.07Å; C146-C175 HydrophobicContact CB-CB 3.92Å; C146-C175 WeakPolarHBondContact CB-SG 3.48Å; C146-C175 WeakPolarHBondContact SG-CA 3.02Å; C146-C175 WeakPolarHBondContact SG-CB 3.39Å; C146-C175 CovalentContact SG-SG 2.04Å; C146-C175 PolarHBondContact SG-SG 3.31Å; C146-A178 HydrophobicContact CB-CB 3.89Å
147C98.2Very high97.2Very high0 Ų042 Ų420%022%0.215CC..  trans-142.4124176-1730000112.8S151 F152 C166 S170 Y171 Y173C147-S151 CarbonylContact O-C 3.41Å; C147-S151 VanDerWaalsContact O-CA 3.24Å; C147-S151 WeakPolarHBondContact O-CA 3.3Å; C147-F152 HydrophobicContact CB-CB 4.46Å; C147-F152 PolarHBondContact O-N 3.31Å; C147-C166 VanDerWaalsContact CA-SG 3.5Å; C147-C166 HydrophobicContact CB-CB 3.77Å; C147-C166 WeakPolarHBondContact CB-SG 3.32Å; C147-C166 WeakPolarHBondContact SG-CB 3.46Å; C147-C166 CovalentContact SG-SG 2.04Å; C147-C166 PolarHBondContact SG-SG 3.48Å; C147-S170 WeakPolarHBondContact CB-O 3.37Å; C147-Y171 HydrophobicContact CB-CD1 4.43Å; C147-Y173 PolarHBondContact N-O 3.24Å
148G98Very high97.1Very high0 Ų044.6 Ų44.60%023%0.228CC..SBendtrans70.2177.1-174.500000112.7C175G148-C175 VanDerWaalsContact O-CB 3.29Å; G148-C175 WeakPolarHBondContact O-CB 3.21Å; G148-C175 PolarHBondContact O-N 3.09Å; G148-C175 PolarHBondContact O-SG 3.24Å; G148-C175 VanDerWaalsContact O-SG 3.32Å
149A98.1Very high96.9Very high0 Ų054.4 Ų54.40%026%0.263CS..SBendtrans-67.2-56.2177.200000110L120 Q121 I124 Y137 D154 G174 C175 V176L120-A149 HydrophobicContact CB-CB 4.25Å; Q121-A149 HydrophobicContact CB-CB 4.45Å; Q121-A149 HydrophobicContact CG-CB 3.85Å; I124-A149 HydrophobicContact CG2-CB 4.29Å; Y137-A149 WeakPolarHBondContact OH-CB 3.38Å; A149-D154 WeakPolarHBondContact CA-OD2 3.4Å; A149-D154 WeakPolarHBondContact CB-OD2 3.31Å; A149-D154 PolarHBondContact N-OD2 3.06Å; A149-G174 CarbonylContact O-C 3.59Å; A149-G174 WeakPolarHBondContact O-CA 3.23Å; A149-C175 PolarHBondContact O-N 3.42Å; A149-V176 HydrophobicContact CB-CG2 4.35Å; A149-V176 WeakPolarHBondContact O-CB 3.15Å; A149-V176 VanDerWaalsContact O-CG2 3.29Å; A149-V176 WeakPolarHBondContact O-CG2 3.37Å; A149-V176 PolarHBondContact O-N 3.41Å
150L98.1Very high96.7Very high81 Ų8152.3 Ų52.342%0.42425%0.254SS..SBendtrans-104.1-36.9177.7-60-179.8000111.8Q121 D154 G174 V176Q121-L150 HydrophobicContact CG-CD1 4.45Å; Q121-L150 HydrophobicContact CG-CD2 4.49Å; Q121-L150 HydrophobicContact CG-CG 4.18Å; L150-D154 PolarHBondContact N-OD2 3.44Å; L150-G174 VanDerWaalsContact O-CA 3.23Å; L150-G174 WeakPolarHBondContact O-CA 3.49Å; L150-G174 PolarHBondContact O-N 3.26Å; L150-V176 HydrophobicContact CD2-CB 4.38Å; L150-V176 HydrophobicContact CD2-CG2 4.27Å
151S97.7Very high96.6Very high27 Ų2756.2 Ų56.219%0.18929%0.285CS..SBendtrans-167.7173.5175.867.30000111.1C147 N153 D154C147-S151 CarbonylContact O-C 3.41Å; C147-S151 VanDerWaalsContact O-CA 3.24Å; C147-S151 WeakPolarHBondContact O-CA 3.3Å; S151-N153 PolarHBondContact O-N 3.07Å; S151-N153 PolarHBondContact OG-N 3.44Å; S151-D154 PolarHBondContact N-OD2 3.41Å; S151-D154 WeakPolarHBondContact O-CB 3.45Å; S151-D154 VanDerWaalsContact O-CG 3.28Å; S151-D154 PolarHBondContact O-N 3.2Å; S151-D154 VanDerWaalsContact O-OD2 3.09Å
152F97.2Very high96.5Very high42 Ų4258.5 Ų58.518%0.18430%0.297CS..THydrogen-bonded Turntrans-55.9-21.7174.283.6-71.5000114.6C147 D154 Y155 K156 I162 Y171C147-F152 HydrophobicContact CB-CB 4.46Å; C147-F152 PolarHBondContact O-N 3.31Å; F152-D154 PolarHBondContact O-N 2.88Å; F152-Y155 PolarHBondContact O-N 3.24Å; F152-K156 HydrophobicContact CE2-CD 4.39Å; F152-I162 HydrophobicContact CD2-CD1 3.6Å; F152-I162 HydrophobicContact CD2-CG1 4.3Å; F152-I162 HydrophobicContact CE2-CD1 4.22Å; F152-Y171 HydrophobicContact CB-CD1 3.97Å; F152-Y171 HydrophobicContact CB-CG 4Å; F152-Y171 HydrophobicContact CD1-CG 4.25Å; F152-Y171 VanDerWaalsContact CD1-O 3.3Å; F152-Y171 WeakPolarHBondContact CD1-O 3.48Å; F152-Y171 HydrophobicContact CD2-CD2 4.17Å; F152-Y171 HydrophobicContact CD2-CG 4.31Å; F152-Y171 HydrophobicContact CE2-CD2 4.36Å; F152-Y171 HydrophobicContact CG-CD1 4.39Å; F152-Y171 HydrophobicContact CG-CD2 4.23Å; F152-Y171 AromaticContact CG-CG 3.94Å; F152-Y171 HydrophobicContact CG-CG 3.94Å; F152-Y171 PolarHBondContact N-O 2.99Å
153N97.7Very high96.4Very high71 Ų7154 Ų5438%0.3828%0.275SS..Hα-helixtrans-66-16.8178.4-71.9-40.7000112.9S151 Y155 K156 R157S151-N153 PolarHBondContact O-N 3.07Å; S151-N153 PolarHBondContact OG-N 3.44Å; N153-Y155 VanDerWaalsContact C-N 3.26Å; N153-Y155 PolarHBondContact O-N 3.46Å; N153-K156 WeakPolarHBondContact O-CB 3.49Å; N153-K156 PolarHBondContact O-N 3.39Å; N153-K156 VanDerWaalsContact O-N 3.14Å; N153-K156 PolarHBondContact OD1-NZ 3.3Å; N153-R157 PolarHBondContact O-N 3.47Å
154D97.5Very high96.5Very high9 Ų958 Ų585%0.04829%0.292CS..Hα-helixtrans-61.3-38.5175-61.7-29.8000110.9I124 A149 L150 S151 F152 R157 I158I124-D154 HydrophobicContact CG1-CB 4.26Å; I124-D154 HydrophobicContact CG2-CB 4.39Å; A149-D154 WeakPolarHBondContact CA-OD2 3.4Å; A149-D154 WeakPolarHBondContact CB-OD2 3.31Å; A149-D154 PolarHBondContact N-OD2 3.06Å; L150-D154 PolarHBondContact N-OD2 3.44Å; S151-D154 PolarHBondContact N-OD2 3.41Å; S151-D154 WeakPolarHBondContact O-CB 3.45Å; S151-D154 VanDerWaalsContact O-CG 3.28Å; S151-D154 PolarHBondContact O-N 3.2Å; S151-D154 VanDerWaalsContact O-OD2 3.09Å; F152-D154 PolarHBondContact O-N 2.88Å; D154-R157 WeakPolarHBondContact O-CB 3.39Å; D154-R157 PolarHBondContact O-N 3.04Å; D154-R157 IonicContact OD1-NH2 2.8Å; D154-I158 PolarHBondContact O-N 2.04Å
155Y97.3Very high96.5Very high0 Ų056.8 Ų56.80%029%0.288CS..Hα-helixtrans-63.9-41.2173.2-67.4-71.1000112.3I124 Y127 Q141 F152 N153 R157 I158 R159 S160 P163I124-Y155 HydrophobicContact CD1-CE1 3.78Å; I124-Y155 HydrophobicContact CD1-CE2 4.39Å; I124-Y155 HydrophobicContact CG1-CE1 4.49Å; Y127-Y155 HydrophobicContact CD1-CD1 4.46Å; Y127-Y155 AromaticContact CD1-CE1 3.84Å; Y127-Y155 HydrophobicContact CD1-CE1 3.84Å; Y127-Y155 HydrophobicContact CD2-CE1 4.01Å; Y127-Y155 AromaticContact CE1-CE1 3.96Å; Y127-Y155 HydrophobicContact CE1-CE1 3.96Å; Y127-Y155 HydrophobicContact CE2-CE1 4.12Å; Y127-Y155 AromaticContact CG-CE1 3.88Å; Y127-Y155 HydrophobicContact CG-CE1 3.88Å; Q141-Y155 VanDerWaalsContact CD-OH 3.28Å; Q141-Y155 PolarHBondContact NE2-OH 3.49Å; Q141-Y155 PolarHBondContact OE1-OH 2.82Å; F152-Y155 PolarHBondContact O-N 3.24Å; N153-Y155 VanDerWaalsContact C-N 3.26Å; N153-Y155 PolarHBondContact O-N 3.46Å; Y155-R157 VanDerWaalsContact C-N 3.31Å; Y155-R157 PolarHBondContact O-N 3.26Å; Y155-I158 HydrophobicContact CD1-CD1 4.36Å; Y155-I158 CarbonylContact O-C 3.02Å; Y155-I158 WeakPolarHBondContact O-CG1 3.46Å; Y155-I158 PolarHBondContact O-N 2.86Å; Y155-R159 PolarHBondContact O-N 3.39Å; Y155-S160 CarbonylContact C-O 3.56Å; Y155-S160 WeakPolarHBondContact O-CA 3.5Å; Y155-S160 WeakPolarHBondContact O-CB 3.09Å; Y155-S160 PolarHBondContact O-N 3.35Å; Y155-P163 HydrophobicContact CE1-CG 3.87Å; Y155-P163 HydrophobicContact CE2-CG 3.91Å; Y155-P163 VanDerWaalsContact CZ-CD 3.47Å; Y155-P163 VanDerWaalsContact CZ-CG 3.49Å; Y155-P163 WeakPolarHBondContact OH-CG 3.35Å
156K95Very high96.6Very high113 Ų11355.6 Ų55.649%0.49127%0.274SS..Hα-helixtrans-63.6-38.5176.1-65.2-177.8-177.6167.10111.8F152 N153 I158 R159F152-K156 HydrophobicContact CE2-CD 4.39Å; N153-K156 WeakPolarHBondContact O-CB 3.49Å; N153-K156 PolarHBondContact O-N 3.39Å; N153-K156 VanDerWaalsContact O-N 3.14Å; N153-K156 PolarHBondContact OD1-NZ 3.3Å; K156-I158 VanDerWaalsContact C-N 3.29Å; K156-I158 PolarHBondContact O-N 3.32Å; K156-R159 WeakPolarHBondContact O-CA 3.38Å; K156-R159 PolarHBondContact O-N 3.23Å
157R96.1Very high96.4Very high184 Ų18461.6 Ų61.669%0.69430%0.3SS*.Hα-helixtrans-61.3-39.2178.9-169.3-176.7-54.9-175.47.1111.8N153 D154 Y155 R159N153-R157 PolarHBondContact O-N 3.47Å; D154-R157 WeakPolarHBondContact O-CB 3.39Å; D154-R157 PolarHBondContact O-N 3.04Å; D154-R157 IonicContact OD1-NH2 2.8Å; Y155-R157 VanDerWaalsContact C-N 3.31Å; Y155-R157 PolarHBondContact O-N 3.26Å; R157-R159 PolarHBondContact O-N 3.12Å
158I94.8Very high96.3Very high54 Ų5466 Ų6628%0.27733%0.329SS..THydrogen-bonded Turntrans-86.414.6175.267.5170.9000112.9I124 D154 Y155 K156 S160I124-I158 WeakPolarHBondContact O-CD1 3.28Å; D154-I158 PolarHBondContact O-N 2.04Å; Y155-I158 HydrophobicContact CD1-CD1 4.36Å; Y155-I158 CarbonylContact O-C 3.02Å; Y155-I158 WeakPolarHBondContact O-CG1 3.46Å; Y155-I158 PolarHBondContact O-N 2.86Å; K156-I158 VanDerWaalsContact C-N 3.29Å; K156-I158 PolarHBondContact O-N 3.32Å; I158-S160 VanDerWaalsContact C-N 3.28Å; I158-S160 PolarHBondContact O-N 3.23Å
159R94.4Very high96.1Very high241 Ų24172.3 Ų72.391%0.90937%0.368SS*.THydrogen-bonded Turntrans53.144.3180-58.7-178.9-178.31710.3113.1Y155 K156 R157Y155-R159 PolarHBondContact O-N 3.39Å; K156-R159 WeakPolarHBondContact O-CA 3.38Å; K156-R159 PolarHBondContact O-N 3.23Å; R157-R159 PolarHBondContact O-N 3.12Å
160S92.1Very high96Very high22 Ų2273 Ų7315%0.15437%0.372CS..  trans-119.2150.4-175.7-170.60000112.9H128 Y155 I158H128-S160 PolarHBondContact CD2-OG 2.85Å; H128-S160 PolarHBondContact NE2-OG 2.67Å; Y155-S160 CarbonylContact C-O 3.56Å; Y155-S160 WeakPolarHBondContact O-CA 3.5Å; Y155-S160 WeakPolarHBondContact O-CB 3.09Å; Y155-S160 PolarHBondContact O-N 3.35Å; I158-S160 VanDerWaalsContact C-N 3.28Å; I158-S160 PolarHBondContact O-N 3.23Å
161A94.4Very high95.9Very high81 Ų8172.4 Ų72.467%0.66937%0.365SS*.PPolyproline II helixtrans-66.1142.5168.100000110.6
162I95.7Very high95.7Very high50 Ų5074.8 Ų74.826%0.25639%0.394SS..PPolyproline II helixtrans-65.8127.7173-57162.3000107.7F152 C166 Y171F152-I162 HydrophobicContact CD2-CD1 3.6Å; F152-I162 HydrophobicContact CD2-CG1 4.3Å; F152-I162 HydrophobicContact CE2-CD1 4.22Å; I162-C166 HydrophobicContact CG2-CB 3.62Å; I162-Y171 HydrophobicContact CD1-CE2 4.24Å; I162-Y171 HydrophobicContact CG2-CE1 3.86Å
163P96.5Very high95.7Very high18 Ų1876.2 Ų76.212%0.11740%0.399CS..PPolyproline II helixtrans-75155.7-176.331.2-36.6000112.3Y127 Y155 S165 C166Y127-P163 HydrophobicContact CE1-CB 4.43Å; Y127-P163 WeakPolarHBondContact OH-CB 3.2Å; Y155-P163 HydrophobicContact CE1-CG 3.87Å; Y155-P163 HydrophobicContact CE2-CG 3.91Å; Y155-P163 VanDerWaalsContact CZ-CD 3.47Å; Y155-P163 VanDerWaalsContact CZ-CG 3.49Å; Y155-P163 WeakPolarHBondContact OH-CG 3.35Å; P163-S165 PolarHBondContact O-N 3Å; P163-S165 VanDerWaalsContact O-N 3.09Å; P163-C166 WeakPolarHBondContact O-CB 3.04Å; P163-C166 PolarHBondContact O-N 3.22Å
164N96.3Very high95.7Very high153 Ų15373 Ų7382%0.81838%0.383SS*.THydrogen-bonded Turntrans-62.7-18179.6-66.3-20.7000114.4
165S97.1Very high95.7Very high14 Ų1472.6 Ų72.610%0.09838%0.38CS..THydrogen-bonded Turntrans-69-22.4172.150.10000112.4N138 Q141 P163N138-S165 WeakPolarHBondContact OD1-CB 3.25Å; N138-S165 PolarHBondContact OD1-OG 2.89Å; Q141-S165 PolarHBondContact NE2-OG 2.94Å; P163-S165 PolarHBondContact O-N 3Å; P163-S165 VanDerWaalsContact O-N 3.09Å
166C97.3Very high95.8Very high7 Ų773.3 Ų73.35%0.04739%0.385CS..SBendtrans-84.4126.7168.2-71.50000110.7Q141 C147 I162 P163 Y171Q141-C166 VanDerWaalsContact CD-SG 3.56Å; Q141-C166 PolarHBondContact NE2-SG 3.42Å; Q141-C166 VanDerWaalsContact NE2-SG 3.43Å; Q141-C166 PolarHBondContact OE1-SG 3.13Å; C147-C166 VanDerWaalsContact CA-SG 3.5Å; C147-C166 HydrophobicContact CB-CB 3.77Å; C147-C166 WeakPolarHBondContact CB-SG 3.32Å; C147-C166 WeakPolarHBondContact SG-CB 3.46Å; C147-C166 CovalentContact SG-SG 2.04Å; C147-C166 PolarHBondContact SG-SG 3.48Å; I162-C166 HydrophobicContact CG2-CB 3.62Å; P163-C166 WeakPolarHBondContact O-CB 3.04Å; P163-C166 PolarHBondContact O-N 3.22Å; C166-Y171 HydrophobicContact CB-CE1 4.05Å
167K95.7Very high95.9Very high126 Ų12675 Ų7555%0.54839%0.388SS..  trans-95.3148.8168-59.8-57.7-179.3-171.40110.4T169 S170 Y171K167-T169 PolarHBondContact O-N 3.07Å; K167-T169 VanDerWaalsContact O-N 3.12Å; K167-S170 WeakPolarHBondContact O-CA 3.43Å; K167-S170 WeakPolarHBondContact O-CB 3.45Å; K167-S170 PolarHBondContact O-N 3.16Å; K167-Y171 VanDerWaalsContact O-CD1 3.24Å; K167-Y171 WeakPolarHBondContact O-CD1 3.45Å; K167-Y171 WeakPolarHBondContact O-CE1 3.44Å
168P95.1Very high95.9Very high94 Ų9466.4 Ų66.461%0.6136%0.356SS*.G310 helixtrans-53.7-33177.8-28.635.9000114S170 Y171P168-S170 PolarHBondContact O-N 3.37Å; P168-Y171 HydrophobicContact CB-CE2 4.3Å; P168-Y171 PolarHBondContact O-N 2.91Å
169T94.9Very high95.9Very high132 Ų13264 Ų6481%0.8134%0.344SS*.G310 helixtrans-62.3-21.717550.30000113.7K167K167-T169 PolarHBondContact O-N 3.07Å; K167-T169 VanDerWaalsContact O-N 3.12Å
170S95.1Very high95.9Very high13 Ų1353.9 Ų53.99%0.09131%0.309CS..G310 helixtrans-101.4-0.6-175.2-57.30000113.4G145 C147 K167 P168 G172 Y173G145-S170 VanDerWaalsContact C-OG 3.31Å; G145-S170 WeakPolarHBondContact O-CB 3.24Å; G145-S170 PolarHBondContact O-OG 2.98Å; C147-S170 WeakPolarHBondContact CB-O 3.37Å; K167-S170 WeakPolarHBondContact O-CA 3.43Å; K167-S170 WeakPolarHBondContact O-CB 3.45Å; K167-S170 PolarHBondContact O-N 3.16Å; P168-S170 PolarHBondContact O-N 3.37Å; S170-G172 VanDerWaalsContact C-N 3.25Å; S170-G172 PolarHBondContact O-N 2.89Å; S170-Y173 PolarHBondContact O-N 2.69Å
171Y95.2Very high96.1Very high69 Ų6956.7 Ų56.727%0.27132%0.32SS..THydrogen-bonded Turntrans-61.8-31.8-172.6-75.30.7000113.6C147 F152 I162 C166 K167 P168C147-Y171 HydrophobicContact CB-CD1 4.43Å; F152-Y171 HydrophobicContact CB-CD1 3.97Å; F152-Y171 HydrophobicContact CB-CG 4Å; F152-Y171 HydrophobicContact CD1-CG 4.25Å; F152-Y171 VanDerWaalsContact CD1-O 3.3Å; F152-Y171 WeakPolarHBondContact CD1-O 3.48Å; F152-Y171 HydrophobicContact CD2-CD2 4.17Å; F152-Y171 HydrophobicContact CD2-CG 4.31Å; F152-Y171 HydrophobicContact CE2-CD2 4.36Å; F152-Y171 HydrophobicContact CG-CD1 4.39Å; F152-Y171 HydrophobicContact CG-CD2 4.23Å; F152-Y171 AromaticContact CG-CG 3.94Å; F152-Y171 HydrophobicContact CG-CG 3.94Å; F152-Y171 PolarHBondContact N-O 2.99Å; I162-Y171 HydrophobicContact CD1-CE2 4.24Å; I162-Y171 HydrophobicContact CG2-CE1 3.86Å; C166-Y171 HydrophobicContact CB-CE1 4.05Å; K167-Y171 VanDerWaalsContact O-CD1 3.24Å; K167-Y171 WeakPolarHBondContact O-CD1 3.45Å; K167-Y171 WeakPolarHBondContact O-CE1 3.44Å; P168-Y171 HydrophobicContact CB-CE2 4.3Å; P168-Y171 PolarHBondContact O-N 2.91Å
172G94.3Very high96Very high78 Ų7856.5 Ų56.580%0.80430%0.302SS*.THydrogen-bonded Turntrans-87.1-1.6175.800000115.1S170S170-G172 VanDerWaalsContact C-N 3.25Å; S170-G172 PolarHBondContact O-N 2.89Å
173Y97.4Very high95.9Very high71 Ų7154.4 Ų54.428%0.27829%0.291SS..  trans-116.698-174.4-168.6-120.8000110.6C146 C147 S170 R177 A178 E181C146-Y173 CarbonylContact C-O 3.56Å; C146-Y173 WeakPolarHBondContact CA-O 3.49Å; C146-Y173 HydrophobicContact CB-CD1 4.08Å; C146-Y173 WeakPolarHBondContact CB-O 3.07Å; C147-Y173 PolarHBondContact N-O 3.24Å; S170-Y173 PolarHBondContact O-N 2.69Å; Y173-R177 HydrophobicContact CD2-CG 4.5Å; Y173-R177 HydrophobicContact CE2-CB 4.41Å; Y173-R177 HydrophobicContact CE2-CG 3.88Å; Y173-A178 HydrophobicContact CD1-CB 4.17Å; Y173-A178 HydrophobicContact CE1-CB 3.4Å; Y173-A178 WeakPolarHBondContact OH-CA 3.32Å; Y173-E181 PolarHBondContact OH-OE2 3.09Å
174G98Very high95.8Very high4 Ų457.7 Ų57.74%0.04131%0.305CS..  trans-73.6148.9-179.600000113.6A149 L150 V176 R177 A178A149-G174 CarbonylContact O-C 3.59Å; A149-G174 WeakPolarHBondContact O-CA 3.23Å; L150-G174 VanDerWaalsContact O-CA 3.23Å; L150-G174 WeakPolarHBondContact O-CA 3.49Å; L150-G174 PolarHBondContact O-N 3.26Å; G174-V176 VanDerWaalsContact C-N 3.3Å; G174-V176 PolarHBondContact O-N 3.22Å; G174-R177 WeakPolarHBondContact O-CB 3.32Å; G174-R177 PolarHBondContact O-N 2.95Å; G174-R177 VanDerWaalsContact O-N 3.16Å; G174-A178 PolarHBondContact O-N 3.43Å; G174-A178 VanDerWaalsContact O-N 3.13Å
175C97.9Very high95.6Very high0 Ų057.2 Ų57.20%030%0.298CS..Hα-helixtrans-69.1-24.8-177.4-64.60000114.2L120 L140 C146 G148 A149 R177 A178 I179L120-C175 HydrophobicContact CD1-CB 4.45Å; L140-C175 HydrophobicContact CD2-CB 3.67Å; L140-C175 HydrophobicContact CG-CB 4.34Å; C146-C175 HydrophobicContact CB-CB 3.92Å; C146-C175 WeakPolarHBondContact CB-SG 3.48Å; C146-C175 WeakPolarHBondContact SG-CA 3.02Å; C146-C175 WeakPolarHBondContact SG-CB 3.39Å; C146-C175 CovalentContact SG-SG 2.04Å; C146-C175 PolarHBondContact SG-SG 3.31Å; G148-C175 VanDerWaalsContact O-CB 3.29Å; G148-C175 WeakPolarHBondContact O-CB 3.21Å; G148-C175 PolarHBondContact O-N 3.09Å; G148-C175 PolarHBondContact O-SG 3.24Å; G148-C175 VanDerWaalsContact O-SG 3.32Å; A149-C175 PolarHBondContact O-N 3.42Å; C175-R177 VanDerWaalsContact C-N 3.31Å; C175-R177 PolarHBondContact O-N 3.3Å; C175-A178 PolarHBondContact O-N 3.44Å; C175-I179 WeakPolarHBondContact O-CB 3.44Å; C175-I179 WeakPolarHBondContact O-CG1 3.34Å; C175-I179 PolarHBondContact O-N 3.34Å
176V97.8Very high95.4Very high15 Ų1558.2 Ų58.29%0.09130%0.3CS..Hα-helixtrans-58.6-47.1170.2171.10000110.2N117 L120 A149 L150 G174 T180N117-V176 HydrophobicContact CB-CG1 3.78Å; N117-V176 WeakPolarHBondContact OD1-CG1 3.01Å; L120-V176 HydrophobicContact CB-CG2 3.79Å; L120-V176 HydrophobicContact CD1-CB 4.28Å; L120-V176 HydrophobicContact CD1-CG2 3.64Å; L120-V176 HydrophobicContact CG-CG2 4.37Å; A149-V176 HydrophobicContact CB-CG2 4.35Å; A149-V176 WeakPolarHBondContact O-CB 3.15Å; A149-V176 VanDerWaalsContact O-CG2 3.29Å; A149-V176 WeakPolarHBondContact O-CG2 3.37Å; A149-V176 PolarHBondContact O-N 3.41Å; L150-V176 HydrophobicContact CD2-CB 4.38Å; L150-V176 HydrophobicContact CD2-CG2 4.27Å; G174-V176 VanDerWaalsContact C-N 3.3Å; G174-V176 PolarHBondContact O-N 3.22Å; V176-T180 WeakPolarHBondContact O-CB 3.27Å; V176-T180 PolarHBondContact O-N 3.09Å; V176-T180 PolarHBondContact O-OG1 3.28Å
177R97.3Very high95.2Very high150 Ų15058.2 Ų58.257%0.56630%0.299SS*.Hα-helixtrans-65.5-47.2179.3-177.5176.2177.5173.41.2110.8Y173 G174 C175 T180 E181Y173-R177 HydrophobicContact CD2-CG 4.5Å; Y173-R177 HydrophobicContact CE2-CB 4.41Å; Y173-R177 HydrophobicContact CE2-CG 3.88Å; G174-R177 WeakPolarHBondContact O-CB 3.32Å; G174-R177 PolarHBondContact O-N 2.95Å; G174-R177 VanDerWaalsContact O-N 3.16Å; C175-R177 VanDerWaalsContact C-N 3.31Å; C175-R177 PolarHBondContact O-N 3.3Å; R177-T180 PolarHBondContact O-N 3.47Å; R177-E181 HydrophobicContact CG-CG 4.35Å; R177-E181 WeakPolarHBondContact CG-OE1 3.42Å; R177-E181 IonicContact CZ-OE1 3.24Å; R177-E181 IonicContact NE-OE1 3.82Å; R177-E181 PolarHBondContact NE-OE1 3.5Å; R177-E181 IonicContact NH2-OE1 3.83Å; R177-E181 PolarHBondContact NH2-OE1 3.32Å; R177-E181 WeakPolarHBondContact O-CB 3.35Å; R177-E181 WeakPolarHBondContact O-CG 3.4Å; R177-E181 PolarHBondContact O-N 2.89Å
178A96.6Very high95.1Very high3 Ų354.8 Ų54.83%0.02529%0.286CS..Hα-helixtrans-60.3-48.2-178.500000113.1F144 C146 Y173 G174 C175 Y182F144-A178 HydrophobicContact CB-CB 3.91Å; F144-A178 HydrophobicContact CD1-CB 4.37Å; F144-A178 HydrophobicContact CG-CB 4.41Å; C146-A178 HydrophobicContact CB-CB 3.89Å; Y173-A178 HydrophobicContact CD1-CB 4.17Å; Y173-A178 HydrophobicContact CE1-CB 3.4Å; Y173-A178 WeakPolarHBondContact OH-CA 3.32Å; G174-A178 PolarHBondContact O-N 3.43Å; G174-A178 VanDerWaalsContact O-N 3.13Å; C175-A178 PolarHBondContact O-N 3.44Å; A178-Y182 PolarHBondContact O-N 3.38Å
179I94.7Very high95Very high4 Ų453.8 Ų53.82%0.02128%0.278CS..Hα-helixtrans-63.8-44.6175.3-70-170.5000110.8L47 V116 L120 L140 C175 E181 Y182 I183L47-I179 HydrophobicContact CD2-CD1 4.14Å; V116-I179 HydrophobicContact CG1-CB 4.49Å; V116-I179 HydrophobicContact CG1-CG2 3.95Å; L120-I179 HydrophobicContact CD1-CD1 4.04Å; L140-I179 HydrophobicContact CD1-CD1 3.41Å; L140-I179 VanDerWaalsContact CD1-CD1 3.41Å; L140-I179 HydrophobicContact CD1-CG1 3.67Å; L140-I179 HydrophobicContact CD2-CD1 3.72Å; L140-I179 HydrophobicContact CD2-CG1 4.34Å; L140-I179 HydrophobicContact CG-CD1 4.16Å; L140-I179 HydrophobicContact CG-CG1 4.48Å; C175-I179 WeakPolarHBondContact O-CB 3.44Å; C175-I179 WeakPolarHBondContact O-CG1 3.34Å; C175-I179 PolarHBondContact O-N 3.34Å; I179-E181 PolarHBondContact O-N 2.67Å; I179-Y182 PolarHBondContact O-N 2.82Å; I179-I183 HydrophobicContact CG2-CD1 3.4Å; I179-I183 VanDerWaalsContact CG2-CD1 3.4Å; I179-I183 HydrophobicContact CG2-CG1 3.92Å; I179-I183 WeakPolarHBondContact O-CB 3.5Å; I179-I183 WeakPolarHBondContact O-CG1 3.45Å; I179-I183 PolarHBondContact O-N 3.47Å
180T95Very high95Very high27 Ų2747.6 Ų47.617%0.16624%0.24CC..Hα-helixtrans-60.4-47.2-177.3-64.80000110.8F113 V176 R177 Y182 Q184F113-T180 HydrophobicContact CB-CG2 4.45Å; F113-T180 HydrophobicContact CD1-CG2 3.55Å; F113-T180 HydrophobicContact CD2-CG2 4.47Å; F113-T180 HydrophobicContact CE1-CG2 3.86Å; F113-T180 HydrophobicContact CG-CG2 3.91Å; F113-T180 HydrophobicContact CZ-CG2 4.45Å; V176-T180 WeakPolarHBondContact O-CB 3.27Å; V176-T180 PolarHBondContact O-N 3.09Å; V176-T180 PolarHBondContact O-OG1 3.28Å; R177-T180 PolarHBondContact O-N 3.47Å; T180-Y182 PolarHBondContact O-N 2.98Å; T180-Q184 WeakPolarHBondContact O-CB 3.49Å; T180-Q184 PolarHBondContact O-N 2.63Å
181E95.5Very high94.9Very high82 Ų8248.1 Ų48.138%0.38324%0.242SC..Hα-helixtrans-60.4-46.5178-73.4173.1174.300111.5Y173 R177 I179 Q185Y173-E181 PolarHBondContact OH-OE2 3.09Å; R177-E181 HydrophobicContact CG-CG 4.35Å; R177-E181 WeakPolarHBondContact CG-OE1 3.42Å; R177-E181 IonicContact CZ-OE1 3.24Å; R177-E181 IonicContact NE-OE1 3.82Å; R177-E181 PolarHBondContact NE-OE1 3.5Å; R177-E181 IonicContact NH2-OE1 3.83Å; R177-E181 PolarHBondContact NH2-OE1 3.32Å; R177-E181 WeakPolarHBondContact O-CB 3.35Å; R177-E181 WeakPolarHBondContact O-CG 3.4Å; R177-E181 PolarHBondContact O-N 2.89Å; I179-E181 PolarHBondContact O-N 2.67Å; E181-Q185 PolarHBondContact O-N 3.23Å; E181-Q185 VanDerWaalsContact O-N 3.15Å
182Y93.2Very high94.9Very high76 Ų7651.9 Ų51.930%0.29826%0.256SS..Hα-helixtrans-61.6-54.1177.1174.6-98.2000112.7E36 Y39 F144 A178 I179 T180 Q184 Q185 Y186E36-Y182 PolarHBondContact OE1-OH 2.94Å; E36-Y182 PolarHBondContact OE2-OH 2.95Å; Y39-Y182 HydrophobicContact CD1-CE1 4.4Å; Y39-Y182 HydrophobicContact CE1-CE1 4.2Å; F144-Y182 AromaticContact CE1-CD1 4Å; F144-Y182 HydrophobicContact CE1-CD1 4Å; F144-Y182 HydrophobicContact CE1-CD2 4.04Å; F144-Y182 AromaticContact CE1-CG 3.61Å; F144-Y182 HydrophobicContact CE1-CG 3.61Å; F144-Y182 AromaticContact CZ-CD1 3.98Å; F144-Y182 HydrophobicContact CZ-CD1 3.98Å; F144-Y182 HydrophobicContact CZ-CE1 4.45Å; F144-Y182 HydrophobicContact CZ-CG 4.08Å; A178-Y182 PolarHBondContact O-N 3.38Å; I179-Y182 PolarHBondContact O-N 2.82Å; T180-Y182 PolarHBondContact O-N 2.98Å; Y182-Q184 VanDerWaalsContact C-N 3.33Å; Y182-Q184 PolarHBondContact O-N 3.5Å; Y182-Q185 PolarHBondContact O-N 2.94Å; Y182-Y186 WeakPolarHBondContact O-CB 3.28Å; Y182-Y186 PolarHBondContact O-N 2.89Å; Y182-Y186 VanDerWaalsContact O-N 3.08Å
183I93Very high94.9Very high6 Ų650.6 Ų50.63%0.03123%0.231CC..Hα-helixtrans-67.3-36.1-177.1-65.2-176.3000110.7I40 P52 F112 F113 I179 Y186 I187I40-I183 HydrophobicContact CD1-CD1 3.94Å; I40-I183 HydrophobicContact CD1-CG1 4.49Å; P52-I183 HydrophobicContact CG-CG2 3.9Å; F112-I183 HydrophobicContact CD1-CG2 4.42Å; F112-I183 HydrophobicContact CE1-CB 4.37Å; F112-I183 HydrophobicContact CE1-CD1 3.94Å; F112-I183 HydrophobicContact CE1-CG2 3.58Å; F112-I183 HydrophobicContact CZ-CD1 3.76Å; F112-I183 HydrophobicContact CZ-CG2 4.09Å; F113-I183 HydrophobicContact CE1-CB 4.07Å; F113-I183 HydrophobicContact CE1-CG2 4.02Å; F113-I183 HydrophobicContact CZ-CG2 4.25Å; I179-I183 HydrophobicContact CG2-CD1 3.4Å; I179-I183 VanDerWaalsContact CG2-CD1 3.4Å; I179-I183 HydrophobicContact CG2-CG1 3.92Å; I179-I183 WeakPolarHBondContact O-CB 3.5Å; I179-I183 WeakPolarHBondContact O-CG1 3.45Å; I179-I183 PolarHBondContact O-N 3.47Å; I183-Y186 PolarHBondContact O-N 3.08Å; I183-I187 HydrophobicContact CG2-CD1 3.48Å; I183-I187 VanDerWaalsContact CG2-CD1 3.48Å; I183-I187 HydrophobicContact CG2-CG1 3.86Å; I183-I187 WeakPolarHBondContact O-CB 3.21Å; I183-I187 VanDerWaalsContact O-CG1 3.29Å; I183-I187 WeakPolarHBondContact O-CG1 3.04Å; I183-I187 PolarHBondContact O-N 2.83Å
184Q94.3Very high94.7Very high88 Ų8847.3 Ų47.341%0.41122%0.218SC..Hα-helixtrans-61.7-48.8177.3179.8173.1-31.700111.5F113 T180 Y182 Y186 I187 I188F113-Q184 HydrophobicContact CE1-CB 4.4Å; F113-Q184 HydrophobicContact CE2-CB 4.17Å; F113-Q184 HydrophobicContact CE2-CG 4.48Å; F113-Q184 HydrophobicContact CZ-CB 3.65Å; F113-Q184 HydrophobicContact CZ-CG 4.41Å; T180-Q184 WeakPolarHBondContact O-CB 3.49Å; T180-Q184 PolarHBondContact O-N 2.63Å; Y182-Q184 VanDerWaalsContact C-N 3.33Å; Y182-Q184 PolarHBondContact O-N 3.5Å; Q184-Y186 VanDerWaalsContact C-N 3.27Å; Q184-Y186 PolarHBondContact O-N 3.3Å; Q184-I187 PolarHBondContact O-N 3.09Å; Q184-I188 HydrophobicContact CG-CD1 3.72Å; Q184-I188 HydrophobicContact CG-CG1 4.46Å; Q184-I188 WeakPolarHBondContact O-CB 2.96Å; Q184-I188 WeakPolarHBondContact O-CG1 3.29Å; Q184-I188 PolarHBondContact O-N 3.25Å
185Q92.9Very high94.6Very high143 Ų14349.8 Ų49.867%0.66823%0.228SC*.Hα-helixtrans-60.7-40.5176.7-174.9173.60.200111.4E181 Y182 T189E181-Q185 PolarHBondContact O-N 3.23Å; E181-Q185 VanDerWaalsContact O-N 3.15Å; Y182-Q185 PolarHBondContact O-N 2.94Å; Q185-T189 WeakPolarHBondContact O-CB 3.46Å; Q185-T189 PolarHBondContact O-N 2.91Å; Q185-T189 PolarHBondContact O-OG1 2.04Å
186Y92.1Very high94.5Very high34 Ų3454 Ų5413%0.13325%0.25CC..Hα-helixtrans-64.8-50.7177.8-173.7-98.8000112.9L32 E36 I55 Y182 I183 Q184 I188 T189 L190L32-Y186 PolarHBondContact O-OH 2.94Å; E36-Y186 HydrophobicContact CB-CE1 4.21Å; E36-Y186 HydrophobicContact CG-CD1 4.29Å; E36-Y186 HydrophobicContact CG-CD2 4.17Å; E36-Y186 HydrophobicContact CG-CE1 3.58Å; E36-Y186 HydrophobicContact CG-CE2 3.46Å; E36-Y186 VanDerWaalsContact CG-CE2 3.46Å; E36-Y186 WeakPolarHBondContact CG-OH 3.22Å; I55-Y186 HydrophobicContact CG1-CE1 4.31Å; Y182-Y186 WeakPolarHBondContact O-CB 3.28Å; Y182-Y186 PolarHBondContact O-N 2.89Å; Y182-Y186 VanDerWaalsContact O-N 3.08Å; I183-Y186 PolarHBondContact O-N 3.08Å; Q184-Y186 VanDerWaalsContact C-N 3.27Å; Q184-Y186 PolarHBondContact O-N 3.3Å; Y186-I188 VanDerWaalsContact C-N 3.33Å; Y186-I188 PolarHBondContact O-N 3.49Å; Y186-T189 PolarHBondContact O-N 3.05Å; Y186-L190 HydrophobicContact CD1-CD1 4.01Å; Y186-L190 HydrophobicContact CD1-CG 4.4Å; Y186-L190 HydrophobicContact CE1-CD1 3.22Å; Y186-L190 HydrophobicContact CE1-CG 3.88Å; Y186-L190 HydrophobicContact CE2-CG 4.45Å; Y186-L190 PolarHBondContact O-N 3.43Å
187I93Very high94.3Very high8 Ų854.7 Ų54.74%0.04125%0.251CS..Hα-helixtrans-58.6-45.2177.5-70.6174.4000110.4P52 I54 F112 F113 I183 Q184 T189 L190 M191P52-I187 HydrophobicContact CB-CD1 3.98Å; P52-I187 HydrophobicContact CB-CG1 4.26Å; P52-I187 HydrophobicContact CG-CD1 4.31Å; I54-I187 HydrophobicContact CG2-CG1 4.1Å; F112-I187 HydrophobicContact CD1-CD1 4.49Å; F113-I187 HydrophobicContact CZ-CD1 4.33Å; I183-I187 HydrophobicContact CG2-CD1 3.48Å; I183-I187 VanDerWaalsContact CG2-CD1 3.48Å; I183-I187 HydrophobicContact CG2-CG1 3.86Å; I183-I187 WeakPolarHBondContact O-CB 3.21Å; I183-I187 VanDerWaalsContact O-CG1 3.29Å; I183-I187 WeakPolarHBondContact O-CG1 3.04Å; I183-I187 PolarHBondContact O-N 2.83Å; Q184-I187 PolarHBondContact O-N 3.09Å; I187-T189 VanDerWaalsContact C-N 3.35Å; I187-T189 PolarHBondContact O-N 2.94Å; I187-L190 PolarHBondContact O-N 3.24Å; I187-M191 WeakPolarHBondContact O-CB 3.36Å; I187-M191 PolarHBondContact O-N 3.24Å
188I94.1Very high94.3Very high53 Ų5348 Ų4827%0.27223%0.228SC..Hα-helixtrans-60.9-45.9179.4-72171.1000110.6Q184 Y186 M191 Y192Q184-I188 HydrophobicContact CG-CD1 3.72Å; Q184-I188 HydrophobicContact CG-CG1 4.46Å; Q184-I188 WeakPolarHBondContact O-CB 2.96Å; Q184-I188 WeakPolarHBondContact O-CG1 3.29Å; Q184-I188 PolarHBondContact O-N 3.25Å; Y186-I188 VanDerWaalsContact C-N 3.33Å; Y186-I188 PolarHBondContact O-N 3.49Å; I188-M191 PolarHBondContact O-N 3.05Å; I188-Y192 HydrophobicContact CG2-CD2 3.68Å; I188-Y192 HydrophobicContact CG2-CE2 3.42Å; I188-Y192 VanDerWaalsContact CG2-CE2 3.42Å; I188-Y192 WeakPolarHBondContact O-CD2 3.04Å; I188-Y192 PolarHBondContact O-N 2.91Å
189T93.4Very high94.3Very high73 Ų7352.8 Ų52.845%0.44825%0.253SS..Hα-helixtrans-59.8-49.3178.8-57.30000111.2Q185 Y186 I187 M191 Y192 L193Q185-T189 WeakPolarHBondContact O-CB 3.46Å; Q185-T189 PolarHBondContact O-N 2.91Å; Q185-T189 PolarHBondContact O-OG1 2.04Å; Y186-T189 PolarHBondContact O-N 3.05Å; I187-T189 VanDerWaalsContact C-N 3.35Å; I187-T189 PolarHBondContact O-N 2.94Å; T189-M191 PolarHBondContact O-N 2.99Å; T189-Y192 PolarHBondContact O-N 3.43Å; T189-L193 HydrophobicContact CG2-CD1 4.28Å; T189-L193 WeakPolarHBondContact O-CG 3.46Å; T189-L193 PolarHBondContact O-N 3.39Å; T189-L193 VanDerWaalsContact O-N 3.11Å
190L93.1Very high94.4Very high2 Ų256.3 Ų56.31%0.0127%0.271CS..Hα-helixtrans-63.7-39.5177.7-73.7-171.1000112.8L32 I54 M58 Y186 I187 Y192 L193 C194L32-L190 HydrophobicContact CD1-CD2 4.44Å; I54-L190 HydrophobicContact CD1-CB 3.48Å; I54-L190 VanDerWaalsContact CD1-CB 3.48Å; I54-L190 HydrophobicContact CD1-CD1 4.33Å; I54-L190 HydrophobicContact CG1-CB 4.09Å; I54-L190 HydrophobicContact CG1-CD1 4.08Å; I54-L190 HydrophobicContact CG2-CD1 4.05Å; M58-L190 HydrophobicContact SD-CD2 4.47Å; Y186-L190 HydrophobicContact CD1-CD1 4.01Å; Y186-L190 HydrophobicContact CD1-CG 4.4Å; Y186-L190 HydrophobicContact CE1-CD1 3.22Å; Y186-L190 HydrophobicContact CE1-CG 3.88Å; Y186-L190 HydrophobicContact CE2-CG 4.45Å; Y186-L190 PolarHBondContact O-N 3.43Å; I187-L190 PolarHBondContact O-N 3.24Å; L190-Y192 PolarHBondContact O-N 2.62Å; L190-L193 HydrophobicContact CD2-CD1 4.38Å; L190-L193 PolarHBondContact O-N 2.92Å; L190-C194 PolarHBondContact O-N 2.69Å; L190-C194 PolarHBondContact O-SG 3.31Å; L190-C194 VanDerWaalsContact O-SG 3.4Å
191M93.9Very high94.4Very high24 Ų2455.2 Ų55.212%0.11826%0.264CS..Hα-helixtrans-61.4-44.8178.8-176.2178.968.200111.4I54 A106 I187 I188 T189 C194 F195I54-M191 HydrophobicContact CD1-CB 4.35Å; A106-M191 HydrophobicContact CB-SD 3.65Å; I187-M191 WeakPolarHBondContact O-CB 3.36Å; I187-M191 PolarHBondContact O-N 3.24Å; I188-M191 PolarHBondContact O-N 3.05Å; T189-M191 PolarHBondContact O-N 2.99Å; M191-C194 PolarHBondContact O-N 3.38Å; M191-F195 HydrophobicContact CG-CD2 4.07Å; M191-F195 HydrophobicContact CG-CE2 3.65Å; M191-F195 WeakPolarHBondContact O-CD2 3.16Å; M191-F195 PolarHBondContact O-N 2.93Å; M191-F195 VanDerWaalsContact O-N 3.14Å; M191-F195 HydrophobicContact SD-CE2 4.41Å
192Y94.9Very high94.5Very high148 Ų14853 Ų5358%0.5826%0.263SS*.Hα-helixtrans-61.6-43.2173.7-79.3-63.2000112.2I188 T189 L190 F195 I196I188-Y192 HydrophobicContact CG2-CD2 3.68Å; I188-Y192 HydrophobicContact CG2-CE2 3.42Å; I188-Y192 VanDerWaalsContact CG2-CE2 3.42Å; I188-Y192 WeakPolarHBondContact O-CD2 3.04Å; I188-Y192 PolarHBondContact O-N 2.91Å; T189-Y192 PolarHBondContact O-N 3.43Å; L190-Y192 PolarHBondContact O-N 2.62Å; Y192-F195 PolarHBondContact O-N 2.77Å; Y192-I196 VanDerWaalsContact O-CG1 3.29Å; Y192-I196 WeakPolarHBondContact O-CG1 3.48Å; Y192-I196 PolarHBondContact O-N 3.16Å
193L94.2Very high94.6Very high52 Ų5253.3 Ų53.327%0.27227%0.269SS..Hα-helixtrans-59.5-48175.9-67.8170.3000110.9F29 T189 L190 F195 I196 F197F29-L193 HydrophobicContact CE1-CB 4Å; F29-L193 HydrophobicContact CE1-CD1 4.19Å; F29-L193 HydrophobicContact CZ-CB 4.01Å; T189-L193 HydrophobicContact CG2-CD1 4.28Å; T189-L193 WeakPolarHBondContact O-CG 3.46Å; T189-L193 PolarHBondContact O-N 3.39Å; T189-L193 VanDerWaalsContact O-N 3.11Å; L190-L193 HydrophobicContact CD2-CD1 4.38Å; L190-L193 PolarHBondContact O-N 2.92Å; L193-F195 VanDerWaalsContact C-N 3.34Å; L193-F195 PolarHBondContact O-N 3.41Å; L193-I196 PolarHBondContact O-N 2.95Å; L193-F197 HydrophobicContact CB-CD2 4.4Å; L193-F197 HydrophobicContact CD2-CE2 4.17Å; L193-F197 VanDerWaalsContact O-CD2 3.24Å; L193-F197 WeakPolarHBondContact O-CD2 3.42Å; L193-F197 PolarHBondContact O-N 3.16Å
194C93.8Very high94.7Very high1 Ų153.6 Ų53.61%0.00727%0.27CS..Hα-helixtrans-53.3-48176.3-75.10000112.5E98 L190 M191 A198E98-C194 HydrophobicContact CB-CB 4.43Å; L190-C194 PolarHBondContact O-N 2.69Å; L190-C194 PolarHBondContact O-SG 3.31Å; L190-C194 VanDerWaalsContact O-SG 3.4Å; M191-C194 PolarHBondContact O-N 3.38Å; C194-A198 VanDerWaalsContact O-CB 3.23Å; C194-A198 WeakPolarHBondContact O-CB 3.24Å; C194-A198 PolarHBondContact O-N 3.04Å
195F95.4Very high94.8Very high56 Ų5650.1 Ų50.125%0.24625%0.254CS..Hα-helixtrans-64.8-43.9178.6-74.3-60.2000112.5F99 G102 I103 M191 Y192 L193 A198 I199F99-F195 AromaticContact CD2-CD1 3.93Å; F99-F195 HydrophobicContact CD2-CD1 3.93Å; F99-F195 AromaticContact CD2-CE1 3.88Å; F99-F195 HydrophobicContact CD2-CE1 3.88Å; F99-F195 HydrophobicContact CE2-CD1 4.21Å; F99-F195 AromaticContact CE2-CE1 3.96Å; F99-F195 HydrophobicContact CE2-CE1 3.96Å; G102-F195 VanDerWaalsContact C-CZ 3.49Å; I103-F195 HydrophobicContact CG1-CE1 4.19Å; I103-F195 HydrophobicContact CG1-CZ 4.12Å; M191-F195 HydrophobicContact CG-CD2 4.07Å; M191-F195 HydrophobicContact CG-CE2 3.65Å; M191-F195 WeakPolarHBondContact O-CD2 3.16Å; M191-F195 PolarHBondContact O-N 2.93Å; M191-F195 VanDerWaalsContact O-N 3.14Å; M191-F195 HydrophobicContact SD-CE2 4.41Å; Y192-F195 PolarHBondContact O-N 2.77Å; L193-F195 VanDerWaalsContact C-N 3.34Å; L193-F195 PolarHBondContact O-N 3.41Å; F195-A198 PolarHBondContact O-N 3.47Å; F195-I199 WeakPolarHBondContact O-CB 3.35Å; F195-I199 WeakPolarHBondContact O-CD1 3.43Å; F195-I199 VanDerWaalsContact O-CG1 3.24Å; F195-I199 WeakPolarHBondContact O-CG1 3.29Å; F195-I199 PolarHBondContact O-N 3.04Å
196I96Very high94.9Very high89 Ų8948.4 Ų48.446%0.45625%0.247SC..Hα-helixtrans-60.7-49.4178.1-70167.9000110.4Y192 L193 I199 L200Y192-I196 VanDerWaalsContact O-CG1 3.29Å; Y192-I196 WeakPolarHBondContact O-CG1 3.48Å; Y192-I196 PolarHBondContact O-N 3.16Å; L193-I196 PolarHBondContact O-N 2.95Å; I196-I199 PolarHBondContact O-N 3.46Å; I196-L200 HydrophobicContact CG2-CD1 3.88Å; I196-L200 HydrophobicContact CG2-CG 4.34Å; I196-L200 WeakPolarHBondContact O-CB 3.39Å; I196-L200 VanDerWaalsContact O-CG 3.28Å; I196-L200 WeakPolarHBondContact O-CG 3.41Å; I196-L200 PolarHBondContact O-N 3.35Å
197F94.8Very high94.9Very high29 Ų2949.9 Ų49.913%0.12726%0.257CS..Hα-helixtrans-69.3-35.7-178.7-79.6-77.1000113.1S25 F29 L193 I199 L200 K201S25-F197 WeakPolarHBondContact OG-CE1 3.36Å; F29-F197 HydrophobicContact CE1-CD2 4.13Å; F29-F197 AromaticContact CE1-CE2 3.94Å; F29-F197 HydrophobicContact CE1-CE2 3.94Å; F29-F197 HydrophobicContact CE2-CB 4.36Å; F29-F197 AromaticContact CE2-CD2 3.81Å; F29-F197 HydrophobicContact CE2-CD2 3.81Å; F29-F197 HydrophobicContact CE2-CE2 4.25Å; F29-F197 HydrophobicContact CE2-CG 4.07Å; F29-F197 HydrophobicContact CZ-CB 4.49Å; F29-F197 AromaticContact CZ-CD2 3.22Å; F29-F197 HydrophobicContact CZ-CD2 3.22Å; F29-F197 AromaticContact CZ-CE2 3.47Å; F29-F197 HydrophobicContact CZ-CE2 3.47Å; F29-F197 VanDerWaalsContact CZ-CE2 3.47Å; F29-F197 AromaticContact CZ-CG 3.95Å; F29-F197 HydrophobicContact CZ-CG 3.95Å; F29-F197 HydrophobicContact CZ-CZ 4.41Å; L193-F197 HydrophobicContact CB-CD2 4.4Å; L193-F197 HydrophobicContact CD2-CE2 4.17Å; L193-F197 VanDerWaalsContact O-CD2 3.24Å; L193-F197 WeakPolarHBondContact O-CD2 3.42Å; L193-F197 PolarHBondContact O-N 3.16Å; F197-I199 PolarHBondContact O-N 3.07Å; F197-L200 HydrophobicContact CD1-CD1 4.38Å; F197-L200 PolarHBondContact O-N 3.21Å; F197-K201 WeakPolarHBondContact O-CB 3.22Å; F197-K201 VanDerWaalsContact O-CG 3.31Å; F197-K201 WeakPolarHBondContact O-CG 3.26Å; F197-K201 PolarHBondContact O-N 2.94Å
198A96.3Very high94.8Very high10 Ų1050 Ų508%0.08326%0.258CS..Hα-helixtrans-60.9-44.4172.500000111.5E98 F99 C194 F195 K201 G202E98-A198 HydrophobicContact CB-CB 4.03Å; F99-A198 HydrophobicContact CB-CB 4.22Å; C194-A198 VanDerWaalsContact O-CB 3.23Å; C194-A198 WeakPolarHBondContact O-CB 3.24Å; C194-A198 PolarHBondContact O-N 3.04Å; F195-A198 PolarHBondContact O-N 3.47Å; A198-K201 PolarHBondContact O-N 3.37Å; A198-G202 PolarHBondContact O-N 3.41Å
199I96.7Very high94.6Very high104 Ų10451 Ų5153%0.53326%0.263SS..Hα-helixtrans-65.2-46.1176.7-68.5166.1000110.8F195 I196 F197 K201 G202 I203F195-I199 WeakPolarHBondContact O-CB 3.35Å; F195-I199 WeakPolarHBondContact O-CD1 3.43Å; F195-I199 VanDerWaalsContact O-CG1 3.24Å; F195-I199 WeakPolarHBondContact O-CG1 3.29Å; F195-I199 PolarHBondContact O-N 3.04Å; I196-I199 PolarHBondContact O-N 3.46Å; F197-I199 PolarHBondContact O-N 3.07Å; I199-K201 VanDerWaalsContact C-N 3.34Å; I199-K201 PolarHBondContact O-N 3.18Å; I199-G202 PolarHBondContact O-N 2.87Å; I199-G202 VanDerWaalsContact O-N 3.15Å; I199-I203 HydrophobicContact CG2-CD1 3.82Å; I199-I203 HydrophobicContact CG2-CG1 4.39Å; I199-I203 WeakPolarHBondContact O-CG1 3.3Å; I199-I203 PolarHBondContact O-N 3.42Å
200L96.1Very high94.4Very high77 Ų7752.3 Ų52.340%0.40327%0.267SS..Hα-helixtrans-59.4-43.4178-72.8174.3000111.9F22 I196 F197 I203 Y204F22-L200 HydrophobicContact CE1-CB 4.24Å; I196-L200 HydrophobicContact CG2-CD1 3.88Å; I196-L200 HydrophobicContact CG2-CG 4.34Å; I196-L200 WeakPolarHBondContact O-CB 3.39Å; I196-L200 VanDerWaalsContact O-CG 3.28Å; I196-L200 WeakPolarHBondContact O-CG 3.41Å; I196-L200 PolarHBondContact O-N 3.35Å; F197-L200 HydrophobicContact CD1-CD1 4.38Å; F197-L200 PolarHBondContact O-N 3.21Å; L200-I203 PolarHBondContact O-N 2.79Å; L200-Y204 WeakPolarHBondContact O-CB 3.41Å; L200-Y204 PolarHBondContact O-N 3.46Å
201K96.3Very high94Very high5 Ų554.7 Ų54.72%0.02228%0.279CS..Hα-helixtrans-63.9-43.5173.8-73172.8-171.7167.40111.4F22 L91 A95 E98 F197 A198 I199 I203 Y204 I205F22-K201 HydrophobicContact CD1-CG 4.38Å; F22-K201 HydrophobicContact CE1-CG 3.91Å; F22-K201 HydrophobicContact CE2-CG 4.25Å; F22-K201 HydrophobicContact CZ-CG 3.84Å; L91-K201 HydrophobicContact CD2-CD 4.33Å; L91-K201 HydrophobicContact CD2-CG 4.5Å; A95-K201 HydrophobicContact CB-CB 3.97Å; A95-K201 HydrophobicContact CB-CD 4.19Å; E98-K201 IonicContact OE1-NZ 2.63Å; E98-K201 PolarHBondContact OE1-NZ 3.27Å; E98-K201 WeakPolarHBondContact OE2-CD 3.29Å; E98-K201 WeakPolarHBondContact OE2-CE 3.36Å; E98-K201 IonicContact OE2-NZ 2.76Å; E98-K201 PolarHBondContact OE2-NZ 3.44Å; F197-K201 WeakPolarHBondContact O-CB 3.22Å; F197-K201 VanDerWaalsContact O-CG 3.31Å; F197-K201 WeakPolarHBondContact O-CG 3.26Å; F197-K201 PolarHBondContact O-N 2.94Å; A198-K201 PolarHBondContact O-N 3.37Å; I199-K201 VanDerWaalsContact C-N 3.34Å; I199-K201 PolarHBondContact O-N 3.18Å; K201-I203 PolarHBondContact O-N 3.38Å; K201-Y204 PolarHBondContact O-N 3.32Å; K201-I205 WeakPolarHBondContact O-CB 3.27Å; K201-I205 WeakPolarHBondContact O-CD1 3.15Å; K201-I205 WeakPolarHBondContact O-CG1 3.36Å; K201-I205 PolarHBondContact O-N 2.67Å
202G96.6Very high93.5Very high36 Ų3658.6 Ų58.637%0.37129%0.293SS..Hα-helixtrans-57.9-46.6176.400000112.6A198 I199 I205 M206A198-G202 PolarHBondContact O-N 3.41Å; I199-G202 PolarHBondContact O-N 2.87Å; I199-G202 VanDerWaalsContact O-N 3.15Å; G202-I205 PolarHBondContact O-N 3.07Å; G202-M206 WeakPolarHBondContact O-CB 3.49Å; G202-M206 PolarHBondContact O-N 3.47Å
203I96Very high93Very high82 Ų8259.2 Ų59.242%0.42130%0.295SS..Hα-helixtrans-61.9-47.9175.4-67.2168.5000110.4I199 L200 K201 I205 M206 I207I199-I203 HydrophobicContact CG2-CD1 3.82Å; I199-I203 HydrophobicContact CG2-CG1 4.39Å; I199-I203 WeakPolarHBondContact O-CG1 3.3Å; I199-I203 PolarHBondContact O-N 3.42Å; L200-I203 PolarHBondContact O-N 2.79Å; K201-I203 PolarHBondContact O-N 3.38Å; I203-I205 PolarHBondContact O-N 3.25Å; I203-M206 PolarHBondContact O-N 3.43Å; I203-I207 HydrophobicContact CG2-CD1 3.66Å; I203-I207 HydrophobicContact CG2-CG1 4.34Å; I203-I207 VanDerWaalsContact O-CG1 3.26Å; I203-I207 WeakPolarHBondContact O-CG1 3.39Å; I203-I207 PolarHBondContact O-N 2.87Å
204Y95.8Very high92.5Very high11 Ų1161.9 Ų61.94%0.04330%0.304CS..Hα-helixtrans-58.3-46.3178168.9-94.2000112.4I15 N19 F22 H87 L91 L200 K201 I207 T208I15-Y204 HydrophobicContact CG1-CE2 4.41Å; N19-Y204 PolarHBondContact ND2-OH 3.39Å; N19-Y204 VanDerWaalsContact ND2-OH 3.13Å; F22-Y204 AromaticContact CE2-CD1 3.99Å; F22-Y204 HydrophobicContact CE2-CD1 3.99Å; F22-Y204 HydrophobicContact CE2-CD2 4.33Å; F22-Y204 AromaticContact CE2-CG 3.87Å; F22-Y204 HydrophobicContact CE2-CG 3.87Å; F22-Y204 HydrophobicContact CZ-CG 4.38Å; H87-Y204 AromaticContact NE2-CE1 3.36Å; H87-Y204 WeakPolarHBondContact NE2-CE1 3.21Å; H87-Y204 AromaticContact NE2-CZ 3.49Å; H87-Y204 PolarHBondContact NE2-OH 3.12Å; L91-Y204 HydrophobicContact CD1-CD1 3.7Å; L91-Y204 HydrophobicContact CD1-CE1 3.46Å; L91-Y204 VanDerWaalsContact CD1-CE1 3.46Å; L200-Y204 WeakPolarHBondContact O-CB 3.41Å; L200-Y204 PolarHBondContact O-N 3.46Å; K201-Y204 PolarHBondContact O-N 3.32Å; Y204-I207 PolarHBondContact O-N 3.37Å; Y204-T208 WeakPolarHBondContact O-CB 3.38Å; Y204-T208 PolarHBondContact O-N 3.05Å; Y204-T208 PolarHBondContact O-OG1 3.22Å
205I95.5Very high91.6Very high16 Ų1666 Ų668%0.08233%0.33CS..Hα-helixtrans-62.2-47177.8-70158.5000110.1I88 L91 I92 K201 G202 I203 I207 T208 I209I88-I205 HydrophobicContact CG2-CG2 4.21Å; L91-I205 HydrophobicContact CB-CD1 3.98Å; L91-I205 HydrophobicContact CB-CG1 4.31Å; I92-I205 HydrophobicContact CD1-CG2 4.44Å; I92-I205 HydrophobicContact CG1-CD1 3.72Å; I92-I205 HydrophobicContact CG1-CG1 4.49Å; I92-I205 HydrophobicContact CG1-CG2 4.25Å; K201-I205 WeakPolarHBondContact O-CB 3.27Å; K201-I205 WeakPolarHBondContact O-CD1 3.15Å; K201-I205 WeakPolarHBondContact O-CG1 3.36Å; K201-I205 PolarHBondContact O-N 2.67Å; G202-I205 PolarHBondContact O-N 3.07Å; I203-I205 PolarHBondContact O-N 3.25Å; I205-I207 PolarHBondContact O-N 3.08Å; I205-T208 PolarHBondContact O-N 3.41Å; I205-I209 HydrophobicContact CG2-CD1 3.63Å; I205-I209 HydrophobicContact CG2-CG1 4.36Å; I205-I209 WeakPolarHBondContact O-CG1 3.48Å; I205-I209 PolarHBondContact O-N 3.25Å
206M94.7Very high90.7Very high106 Ų10668.6 Ų68.652%0.52235%0.346SS..Hα-helixtrans-58.7-49.5178.8-176.7-171.369.500111.3G202 I203 T208 I209 L210G202-M206 WeakPolarHBondContact O-CB 3.49Å; G202-M206 PolarHBondContact O-N 3.47Å; I203-M206 PolarHBondContact O-N 3.43Å; M206-T208 VanDerWaalsContact C-N 3.29Å; M206-T208 PolarHBondContact O-N 3.24Å; M206-I209 PolarHBondContact O-N 3.41Å; M206-L210 HydrophobicContact CG-CD1 4.07Å; M206-L210 WeakPolarHBondContact O-CB 3.5Å; M206-L210 VanDerWaalsContact O-CG 3.25Å; M206-L210 WeakPolarHBondContact O-CG 3.34Å; M206-L210 PolarHBondContact O-N 3.47Å
207I92.1Very high89.6Confident65 Ų6569.2 Ų69.233%0.33335%0.349SS..Hα-helixtrans-61.9-41.1178.5-61.8167.9000110.4W11 I203 Y204 I205 L210 L211W11-I207 HydrophobicContact CE3-CG2 4.28Å; W11-I207 HydrophobicContact CH2-CB 4.23Å; W11-I207 HydrophobicContact CH2-CG2 3.64Å; W11-I207 HydrophobicContact CZ3-CB 4.28Å; W11-I207 HydrophobicContact CZ3-CG2 3.31Å; I203-I207 HydrophobicContact CG2-CD1 3.66Å; I203-I207 HydrophobicContact CG2-CG1 4.34Å; I203-I207 VanDerWaalsContact O-CG1 3.26Å; I203-I207 WeakPolarHBondContact O-CG1 3.39Å; I203-I207 PolarHBondContact O-N 2.87Å; Y204-I207 PolarHBondContact O-N 3.37Å; I205-I207 PolarHBondContact O-N 3.08Å; I207-L210 PolarHBondContact O-N 2.86Å; I207-L211 HydrophobicContact CG2-CD1 3.89Å; I207-L211 HydrophobicContact CG2-CG 4.47Å; I207-L211 WeakPolarHBondContact O-CG 3.46Å; I207-L211 PolarHBondContact O-N 3.47Å
208T90.4Very high88.2Confident12 Ų1272.1 Ų72.17%0.07436%0.362CS..Hα-helixtrans-61.8-45.7178.8-59.10000112.2W11 I88 Y204 I205 M206 L211 Y212W11-T208 WeakPolarHBondContact CH2-OG1 3.48Å; W11-T208 VanDerWaalsContact CZ2-CA 3.5Å; W11-T208 HydrophobicContact CZ2-CG2 4.11Å; I88-T208 HydrophobicContact CD1-CG2 3.84Å; I88-T208 HydrophobicContact CG1-CG2 4.39Å; Y204-T208 WeakPolarHBondContact O-CB 3.38Å; Y204-T208 PolarHBondContact O-N 3.05Å; Y204-T208 PolarHBondContact O-OG1 3.22Å; I205-T208 PolarHBondContact O-N 3.41Å; M206-T208 VanDerWaalsContact C-N 3.29Å; M206-T208 PolarHBondContact O-N 3.24Å; T208-L211 PolarHBondContact O-N 3.45Å; T208-Y212 WeakPolarHBondContact O-CB 3.47Å; T208-Y212 PolarHBondContact O-N 2.65Å
209I90Very high86.5Confident74 Ų7473.1 Ų73.138%0.37937%0.373SS..Hα-helixtrans-65.1-44.2177.7-68.1169000110.8I205 M206 L211 Y212 R213I205-I209 HydrophobicContact CG2-CD1 3.63Å; I205-I209 HydrophobicContact CG2-CG1 4.36Å; I205-I209 WeakPolarHBondContact O-CG1 3.48Å; I205-I209 PolarHBondContact O-N 3.25Å; M206-I209 PolarHBondContact O-N 3.41Å; I209-L211 VanDerWaalsContact C-N 3.31Å; I209-L211 PolarHBondContact O-N 3.23Å; I209-Y212 PolarHBondContact O-N 3.17Å; I209-R213 WeakPolarHBondContact O-CG 3.4Å; I209-R213 PolarHBondContact O-N 2.97Å
210L89.8Confident84.4Confident99 Ų9970 Ų7052%0.51837%0.366SS..Hα-helixtrans-60.8-40.8179-72.1173.6000112M206 I207 K214M206-L210 HydrophobicContact CG-CD1 4.07Å; M206-L210 WeakPolarHBondContact O-CB 3.5Å; M206-L210 VanDerWaalsContact O-CG 3.25Å; M206-L210 WeakPolarHBondContact O-CG 3.34Å; M206-L210 PolarHBondContact O-N 3.47Å; I207-L210 PolarHBondContact O-N 2.86Å; L210-K214 PolarHBondContact O-N 3.01Å; L210-K214 VanDerWaalsContact O-N 3.09Å
211L85.5Confident82.4Confident53 Ų5372.1 Ų72.128%0.27738%0.378SS..Hα-helixtrans-73.7-38.4178.4-71.9173.4000112.5W11 I207 T208 I209 R213 K214 T215W11-L211 HydrophobicContact CB-CD1 4.5Å; W11-L211 HydrophobicContact CD2-CD1 3.12Å; W11-L211 HydrophobicContact CD2-CG 4.43Å; W11-L211 VanDerWaalsContact CE2-CD1 3.44Å; W11-L211 HydrophobicContact CE3-CD1 3.04Å; W11-L211 HydrophobicContact CG-CD1 3.8Å; W11-L211 HydrophobicContact CH2-CD1 3.69Å; W11-L211 HydrophobicContact CZ2-CB 4.32Å; W11-L211 HydrophobicContact CZ2-CD1 3.74Å; W11-L211 HydrophobicContact CZ3-CD1 3.35Å; I207-L211 HydrophobicContact CG2-CD1 3.89Å; I207-L211 HydrophobicContact CG2-CG 4.47Å; I207-L211 WeakPolarHBondContact O-CG 3.46Å; I207-L211 PolarHBondContact O-N 3.47Å; T208-L211 PolarHBondContact O-N 3.45Å; I209-L211 VanDerWaalsContact C-N 3.31Å; I209-L211 PolarHBondContact O-N 3.23Å; L211-R213 VanDerWaalsContact C-N 3.31Å; L211-R213 PolarHBondContact O-N 2.89Å; L211-K214 PolarHBondContact O-N 3.32Å; L211-K214 VanDerWaalsContact O-N 3.15Å; L211-T215 PolarHBondContact O-N 2.95Å; L211-T215 PolarHBondContact O-OG1 2.61Å
212Y82.6Confident80.2Confident105 Ų10576.5 Ų76.541%0.41241%0.409SS..Hα-helixtrans-58.2-44.2173.3-172.6-96.8000111.7Q81 T208 I209 K214 T215 D216Q81-Y212 PolarHBondContact NE2-OH 2.95Å; T208-Y212 WeakPolarHBondContact O-CB 3.47Å; T208-Y212 PolarHBondContact O-N 2.65Å; I209-Y212 PolarHBondContact O-N 3.17Å; Y212-K214 PolarHBondContact O-N 3.34Å; Y212-T215 WeakPolarHBondContact CA-OG1 3.17Å; Y212-T215 PolarHBondContact O-N 3.11Å; Y212-T215 PolarHBondContact O-OG1 3.04Å; Y212-D216 PolarHBondContact O-N 3.16Å; Y212-D216 VanDerWaalsContact O-N 3.09Å
213R85.2Confident77.6Confident161 Ų16184.9 Ų84.961%0.60843%0.431SS*.Hα-helixtrans-63-40.6174.5-70.5-178.870.9177.52.5112.4I209 L211 D216 I217I209-R213 WeakPolarHBondContact O-CG 3.4Å; I209-R213 PolarHBondContact O-N 2.97Å; L211-R213 VanDerWaalsContact C-N 3.31Å; L211-R213 PolarHBondContact O-N 2.89Å; R213-D216 PolarHBondContact O-N 3.27Å; R213-I217 WeakPolarHBondContact O-CD1 3.36Å; R213-I217 VanDerWaalsContact O-CG1 3.28Å; R213-I217 WeakPolarHBondContact O-CG1 3.4Å; R213-I217 PolarHBondContact O-N 2.65Å
214K82.1Confident74.9Confident108 Ų10889.6 Ų89.647%0.4746%0.464SS..Hα-helixtrans-66.6-36.3179.3-171.6174-176.2173.20112.5L210 L211 Y212 K218L210-K214 PolarHBondContact O-N 3.01Å; L210-K214 VanDerWaalsContact O-N 3.09Å; L211-K214 PolarHBondContact O-N 3.32Å; L211-K214 VanDerWaalsContact O-N 3.15Å; Y212-K214 PolarHBondContact O-N 3.34Å; K214-K218 WeakPolarHBondContact O-CG 3.2Å; K214-K218 PolarHBondContact O-N 3.2Å
215T76Confident73.8Confident88 Ų8893.6 Ų93.654%0.5449%0.485SS..Hα-helixtrans-69.5-39.3175.447.30000111.8L211 Y212 K218 G219L211-T215 PolarHBondContact O-N 2.95Å; L211-T215 PolarHBondContact O-OG1 2.61Å; Y212-T215 WeakPolarHBondContact CA-OG1 3.17Å; Y212-T215 PolarHBondContact O-N 3.11Å; Y212-T215 PolarHBondContact O-OG1 3.04Å; T215-K218 PolarHBondContact O-N 3.06Å; T215-G219 PolarHBondContact O-N 3.14Å
216D76.6Confident72.7Confident111 Ų11197.6 Ų97.659%0.59451%0.506SS*.Hα-helixtrans-64-46.6178.2-167.943.8000111.9Y212 R213 K218 G219 G220Y212-D216 PolarHBondContact O-N 3.16Å; Y212-D216 VanDerWaalsContact O-N 3.09Å; R213-D216 PolarHBondContact O-N 3.27Å; D216-K218 VanDerWaalsContact C-N 3.33Å; D216-K218 PolarHBondContact O-N 2.83Å; D216-G219 PolarHBondContact O-N 3.28Å; D216-G219 VanDerWaalsContact O-N 3.16Å; D216-G220 PolarHBondContact O-N 3.08Å
217I72.1Confident71.5Confident102 Ų10297.2 Ų97.252%0.52351%0.505SS..Hα-helixtrans-59.2-41.5176.5-66.6163.9000111.8R213 G220 N221R213-I217 WeakPolarHBondContact O-CD1 3.36Å; R213-I217 VanDerWaalsContact O-CG1 3.28Å; R213-I217 WeakPolarHBondContact O-CG1 3.4Å; R213-I217 PolarHBondContact O-N 2.65Å; I217-G220 PolarHBondContact O-N 3.24Å; I217-N221 PolarHBondContact O-N 3.41Å
218K66.3Low70.3Confident90 Ų9099.1 Ų99.139%0.39152%0.515SS..Hα-helixtrans-71.3-33.8178.4-73.8-174178.4-170.10112.8L4 K214 T215 D216 S222L4-K218 HydrophobicContact CD2-CD 4Å; L4-K218 VanDerWaalsContact CD2-NZ 3.26Å; K214-K218 WeakPolarHBondContact O-CG 3.2Å; K214-K218 PolarHBondContact O-N 3.2Å; T215-K218 PolarHBondContact O-N 3.06Å; D216-K218 VanDerWaalsContact C-N 3.33Å; D216-K218 PolarHBondContact O-N 2.83Å; K218-S222 PolarHBondContact O-N 3.33Å; K218-S222 PolarHBondContact O-OG 2.97Å
219G59.2Low69Low30 Ų30104.5 Ų104.531%0.30954%0.543SS..Hα-helixtrans-61-51.2170.700000110.7T215 D216 N221 S222 Y223T215-G219 PolarHBondContact O-N 3.14Å; D216-G219 PolarHBondContact O-N 3.28Å; D216-G219 VanDerWaalsContact O-N 3.16Å; G219-N221 PolarHBondContact O-N 3.43Å; G219-S222 PolarHBondContact O-N 3.33Å; G219-S222 VanDerWaalsContact O-N 3.13Å; G219-Y223 WeakPolarHBondContact O-CD2 3.43Å; G219-Y223 WeakPolarHBondContact O-CE2 3.44Å
220G54.6Low67.6Low38 Ų38106.5 Ų106.539%0.39255%0.553SS.*Hα-helixtrans-59.5-43.8178.600000114.2D216 I217 S222 Y223D216-G220 PolarHBondContact O-N 3.08Å; I217-G220 PolarHBondContact O-N 3.24Å; G220-S222 PolarHBondContact O-N 3.28Å; G220-Y223 PolarHBondContact O-N 3.37Å
221N53.9Low66Low122 Ų122107.1 Ų107.165%0.65256%0.556SS**THydrogen-bonded Turntrans-70.2-9.2176.9-84.919.1000114.5I217 G219I217-N221 PolarHBondContact O-N 3.41Å; G219-N221 PolarHBondContact O-N 3.43Å
222S48.9Very low64.5Low98 Ų98111.2 Ų111.269%0.68558%0.577SS**THydrogen-bonded Turntrans-91.3-7.4174.5-55.30000112.7K218 G219 G220K218-S222 PolarHBondContact O-N 3.33Å; K218-S222 PolarHBondContact O-OG 2.97Å; G219-S222 PolarHBondContact O-N 3.33Å; G219-S222 VanDerWaalsContact O-N 3.13Å; G220-S222 PolarHBondContact O-N 3.28Å
223Y42.6Very low63Low211 Ų211111.8 Ų111.883%0.82759%0.591SS**  trans-102.63.8176.4-64.5-73.9000113.5G219 G220G219-Y223 WeakPolarHBondContact O-CD2 3.43Å; G219-Y223 WeakPolarHBondContact O-CE2 3.44Å; G220-Y223 PolarHBondContact O-N 3.37Å
224V38.8Very low61Low182 Ų182107.3 Ų107.3100%1.10359%0.59SS**  trans-114.10173.1-174.60000108.4

Retrieved 224 of 224 residues in 366.8 ms (Link to these results)

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