A0A3Q0KNK2_SCHMA Loading...

Innexin AlphaSync

Structural component of the gap junctions.

AlphaFold DB , UniProt , Accession A0A3Q0KNK2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene inx, Length 453 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
1M69.7Low74.8Confident185 Ų185111.3 Ų111.391%0.91157%0.574SS**  0-62.60-66.8-177.374.100110.7A3 Q4 E5M1-A3 VanDerWaalsContact C-N 3.32Å; M1-A3 PolarHBondContact O-N 3.42Å; M1-Q4 WeakPolarHBondContact O-CB 3.37Å; M1-Q4 PolarHBondContact O-N 2.91Å; M1-E5 PolarHBondContact O-N 3.37Å
2V78.2Confident74.1Confident115 Ų115107.3 Ų107.370%0.69756%0.563SS**Hα-helixtrans-53.7-40.4178.7-175.80000114.3E5 F6V2-E5 PolarHBondContact O-N 3.08Å; V2-F6 VanDerWaalsContact O-CB 3.31Å; V2-F6 WeakPolarHBondContact O-CB 3.04Å; V2-F6 PolarHBondContact O-N 3.38Å
3A73.5Confident72.8Confident71 Ų71104.5 Ų104.559%0.58755%0.547SS*.Hα-helixtrans-67-37.217800000113.1M1 F6 I7M1-A3 VanDerWaalsContact C-N 3.32Å; M1-A3 PolarHBondContact O-N 3.42Å; A3-F6 PolarHBondContact O-N 3.27Å; A3-I7 WeakPolarHBondContact O-CD1 3.11Å; A3-I7 WeakPolarHBondContact O-CG1 3.34Å; A3-I7 PolarHBondContact O-N 3.25Å
4Q79.6Confident71.5Confident130 Ų130100.1 Ų100.161%0.60753%0.53SS*.Hα-helixtrans-68.6-46.5177-160.298.56.500109.9M1 F6 I7 D8M1-Q4 WeakPolarHBondContact O-CB 3.37Å; M1-Q4 PolarHBondContact O-N 2.91Å; Q4-F6 VanDerWaalsContact C-N 3.27Å; Q4-F6 PolarHBondContact O-N 3.39Å; Q4-I7 PolarHBondContact O-N 3.48Å; Q4-I7 VanDerWaalsContact O-N 3.11Å; Q4-D8 WeakPolarHBondContact O-CB 3.49Å; Q4-D8 VanDerWaalsContact O-CG 3.29Å; Q4-D8 PolarHBondContact O-N 2.79Å
5E82.6Confident70.4Confident116 Ų116101.2 Ų101.254%0.54254%0.535SS..Hα-helixtrans-59.6-38.5175.4-69.4168.9-179.100111.8M1 V2 D8 L9M1-E5 PolarHBondContact O-N 3.37Å; V2-E5 PolarHBondContact O-N 3.08Å; E5-D8 PolarHBondContact O-N 2.99Å; E5-L9 VanDerWaalsContact O-CB 3.23Å; E5-L9 WeakPolarHBondContact O-CB 2.88Å; E5-L9 PolarHBondContact O-N 3.11Å
6F74.5Confident69.3Low138 Ų13898.2 Ų98.261%0.60553%0.529SS*.Hα-helixtrans-66.4-42.5174.1-178.3-95.1000112.1V2 A3 Q4 D8 L9 F10V2-F6 VanDerWaalsContact O-CB 3.31Å; V2-F6 WeakPolarHBondContact O-CB 3.04Å; V2-F6 PolarHBondContact O-N 3.38Å; A3-F6 PolarHBondContact O-N 3.27Å; Q4-F6 VanDerWaalsContact C-N 3.27Å; Q4-F6 PolarHBondContact O-N 3.39Å; F6-D8 VanDerWaalsContact C-N 3.35Å; F6-L9 PolarHBondContact O-N 3.02Å; F6-F10 WeakPolarHBondContact O-CB 2.86Å; F6-F10 PolarHBondContact O-N 3.11Å
7I76.5Confident68.3Low87 Ų8797.2 Ų97.245%0.44652%0.521SS..Hα-helixtrans-63.3-43.4175.9-71.1164.1000110.3A3 Q4 F10 N11A3-I7 WeakPolarHBondContact O-CD1 3.11Å; A3-I7 WeakPolarHBondContact O-CG1 3.34Å; A3-I7 PolarHBondContact O-N 3.25Å; Q4-I7 PolarHBondContact O-N 3.48Å; Q4-I7 VanDerWaalsContact O-N 3.11Å; I7-F10 PolarHBondContact O-N 3.46Å; I7-N11 WeakPolarHBondContact CG2-ND2 3.12Å; I7-N11 VanDerWaalsContact O-CB 3.29Å; I7-N11 WeakPolarHBondContact O-CB 3.38Å; I7-N11 PolarHBondContact O-N 3.14Å; I7-N11 PolarHBondContact O-ND2 3.34Å
8D76.9Confident67.4Low90 Ų9098.9 Ų98.948%0.48152%0.519SS..Hα-helixtrans-68-41.2179.7-67.9-24.9000111.4Q4 E5 F6 N11 S12Q4-D8 WeakPolarHBondContact O-CB 3.49Å; Q4-D8 VanDerWaalsContact O-CG 3.29Å; Q4-D8 PolarHBondContact O-N 2.79Å; E5-D8 PolarHBondContact O-N 2.99Å; F6-D8 VanDerWaalsContact C-N 3.35Å; D8-N11 PolarHBondContact O-N 3.38Å; D8-S12 WeakPolarHBondContact O-CB 3.17Å; D8-S12 PolarHBondContact O-N 2.97Å
9L73.8Confident66.9Low100 Ų10095.9 Ų95.952%0.52451%0.506SS..Hα-helixtrans-62.3-46.5172.2-175.468.5000110.9E5 F6 N11 S12 I13E5-L9 VanDerWaalsContact O-CB 3.23Å; E5-L9 WeakPolarHBondContact O-CB 2.88Å; E5-L9 PolarHBondContact O-N 3.11Å; F6-L9 PolarHBondContact O-N 3.02Å; L9-N11 VanDerWaalsContact C-N 3.31Å; L9-N11 PolarHBondContact O-N 3.2Å; L9-S12 PolarHBondContact O-N 3.43Å; L9-S12 PolarHBondContact O-OG 3.17Å; L9-I13 HydrophobicContact CD1-CD1 4.43Å; L9-I13 HydrophobicContact CG-CD1 3.99Å; L9-I13 VanDerWaalsContact O-CG1 3.28Å; L9-I13 WeakPolarHBondContact O-CG1 3.46Å; L9-I13 PolarHBondContact O-N 3.38Å
10F68.5Low66.9Low122 Ų12292.2 Ų92.254%0.53549%0.487SS..Hα-helixtrans-61.8-38.9176.8-177.8-95.8000111.9F6 I7 I13 S14F6-F10 WeakPolarHBondContact O-CB 2.86Å; F6-F10 PolarHBondContact O-N 3.11Å; I7-F10 PolarHBondContact O-N 3.46Å; F10-I13 PolarHBondContact O-N 3.35Å; F10-S14 VanDerWaalsContact O-CB 3.31Å; F10-S14 WeakPolarHBondContact O-CB 3.12Å; F10-S14 PolarHBondContact O-N 2.88Å; F10-S14 PolarHBondContact O-OG 2.96Å
11N69Low67.4Low70 Ų7087.8 Ų87.837%0.37446%0.464SS..Hα-helixtrans-66.5-41174.2-74-22.9000111.6I7 D8 L9 I13 S14 L15I7-N11 WeakPolarHBondContact CG2-ND2 3.12Å; I7-N11 VanDerWaalsContact O-CB 3.29Å; I7-N11 WeakPolarHBondContact O-CB 3.38Å; I7-N11 PolarHBondContact O-N 3.14Å; I7-N11 PolarHBondContact O-ND2 3.34Å; D8-N11 PolarHBondContact O-N 3.38Å; L9-N11 VanDerWaalsContact C-N 3.31Å; L9-N11 PolarHBondContact O-N 3.2Å; N11-I13 VanDerWaalsContact C-N 3.33Å; N11-I13 PolarHBondContact O-N 3.45Å; N11-S14 WeakPolarHBondContact CA-OG 3.26Å; N11-S14 PolarHBondContact O-N 2.57Å; N11-S14 PolarHBondContact O-OG 3Å; N11-L15 VanDerWaalsContact O-CB 3.28Å; N11-L15 WeakPolarHBondContact O-CB 3.4Å; N11-L15 WeakPolarHBondContact O-CG 2.87Å; N11-L15 PolarHBondContact O-N 3.15Å
12S65.9Low68.1Low63 Ų6379.2 Ų79.244%0.44142%0.422SS..Hα-helixtrans-63.4-40.5175.478.80000111.8D8 L9 A16D8-S12 WeakPolarHBondContact O-CB 3.17Å; D8-S12 PolarHBondContact O-N 2.97Å; L9-S12 PolarHBondContact O-N 3.43Å; L9-S12 PolarHBondContact O-OG 3.17Å; S12-A16 VanDerWaalsContact O-CB 3.31Å; S12-A16 WeakPolarHBondContact O-CB 3.47Å; S12-A16 PolarHBondContact O-N 3.48Å
13I57.5Low68.5Low71 Ų7174.7 Ų74.736%0.36439%0.394SS..Hα-helixtrans-68.1-43.7176.1-67.3166.9000110.2L9 F10 N11 A16 Q17L9-I13 HydrophobicContact CD1-CD1 4.43Å; L9-I13 HydrophobicContact CG-CD1 3.99Å; L9-I13 VanDerWaalsContact O-CG1 3.28Å; L9-I13 WeakPolarHBondContact O-CG1 3.46Å; L9-I13 PolarHBondContact O-N 3.38Å; F10-I13 PolarHBondContact O-N 3.35Å; N11-I13 VanDerWaalsContact C-N 3.33Å; N11-I13 PolarHBondContact O-N 3.45Å; I13-A16 PolarHBondContact O-N 3.41Å; I13-Q17 VanDerWaalsContact O-CB 3.22Å; I13-Q17 WeakPolarHBondContact O-CB 3.43Å; I13-Q17 PolarHBondContact O-N 2.96Å
14S55Low69.2Low44 Ų4477.5 Ų77.531%0.30839%0.393SS..Hα-helixtrans-68.9-37.1-179.671.30000112.6F10 N11 Q17 R18F10-S14 VanDerWaalsContact O-CB 3.31Å; F10-S14 WeakPolarHBondContact O-CB 3.12Å; F10-S14 PolarHBondContact O-N 2.88Å; F10-S14 PolarHBondContact O-OG 2.96Å; N11-S14 WeakPolarHBondContact CA-OG 3.26Å; N11-S14 PolarHBondContact O-N 2.57Å; N11-S14 PolarHBondContact O-OG 3Å; S14-Q17 PolarHBondContact O-N 3.39Å; S14-R18 PolarHBondContact O-N 3.17Å
15L54.8Low69.8Low116 Ų11671.4 Ų71.461%0.60737%0.365SS*.Hα-helixtrans-64.5-45.4171.1-82161.2000111.4N11 Q17 R18N11-L15 VanDerWaalsContact O-CB 3.28Å; N11-L15 WeakPolarHBondContact O-CB 3.4Å; N11-L15 WeakPolarHBondContact O-CG 2.87Å; N11-L15 PolarHBondContact O-N 3.15Å; L15-Q17 VanDerWaalsContact C-N 3.29Å; L15-Q17 PolarHBondContact O-N 2.85Å; L15-R18 PolarHBondContact O-N 3.14Å
16A52.4Low70.1Confident53 Ų5366.8 Ų66.844%0.43834%0.344SS..Hα-helixtrans-59.5-42173.700000111.2S12 I13 R18 S19S12-A16 VanDerWaalsContact O-CB 3.31Å; S12-A16 WeakPolarHBondContact O-CB 3.47Å; S12-A16 PolarHBondContact O-N 3.48Å; I13-A16 PolarHBondContact O-N 3.41Å; A16-R18 VanDerWaalsContact C-N 3.32Å; A16-R18 PolarHBondContact O-N 3.16Å; A16-S19 PolarHBondContact O-N 3.16Å; A16-S19 VanDerWaalsContact O-N 3.13Å; A16-S19 PolarHBondContact O-OG 3.43Å
17Q51.9Low70.9Confident82 Ų8262.8 Ų62.838%0.38333%0.325SS..Hα-helixtrans-68.4-27.7179.2-166.1174.85.200113.2I13 S14 L15 S19 T20 R27I13-Q17 VanDerWaalsContact O-CB 3.22Å; I13-Q17 WeakPolarHBondContact O-CB 3.43Å; I13-Q17 PolarHBondContact O-N 2.96Å; S14-Q17 PolarHBondContact O-N 3.39Å; L15-Q17 VanDerWaalsContact C-N 3.29Å; L15-Q17 PolarHBondContact O-N 2.85Å; Q17-S19 PolarHBondContact O-N 3.34Å; Q17-T20 PolarHBondContact O-N 3.46Å; Q17-T20 PolarHBondContact O-OG1 3.46Å; Q17-R27 HydrophobicContact CG-CG 4.34Å; Q17-R27 PolarHBondContact O-NH2 3.43Å
18R52.8Low71.6Confident128 Ų12859.8 Ų59.848%0.48331%0.31SS..Hα-helixtrans-67.9-22.4173.4-161171.9-173.5178.2-0112.5S14 L15 A16S14-R18 PolarHBondContact O-N 3.17Å; L15-R18 PolarHBondContact O-N 3.14Å; A16-R18 VanDerWaalsContact C-N 3.32Å; A16-R18 PolarHBondContact O-N 3.16Å
19S57.3Low72.2Confident41 Ų4155.7 Ų55.729%0.28729%0.288SS..THydrogen-bonded Turntrans-94.30.4-179.873.60000114.9A16 Q17A16-S19 PolarHBondContact O-N 3.16Å; A16-S19 VanDerWaalsContact O-N 3.13Å; A16-S19 PolarHBondContact O-OG 3.43Å; Q17-S19 PolarHBondContact O-N 3.34Å
20T67.4Low73Confident21 Ų2152.7 Ų52.713%0.12927%0.272CS..  trans-86.2137.4-178.169.40000112.2Q17 E22 N409Q17-T20 PolarHBondContact O-N 3.46Å; Q17-T20 PolarHBondContact O-OG1 3.46Å; T20-E22 WeakPolarHBondContact CB-OE2 3.46Å; T20-E22 PolarHBondContact O-N 3.35Å; T20-E22 PolarHBondContact OG1-OE2 3.06Å; T20-N409 PolarHBondContact O-OD1 2.9Å; T20-N409 VanDerWaalsContact O-OD1 3.12Å
21V77.9Confident74Confident0 Ų051.4 Ų51.40%027%0.267CS..  trans-82.967.6173.7-1600000110.1W128 M140 F141 V144 M405V21-W128 PolarHBondContact O-NE1 2.91Å; V21-M140 HydrophobicContact CB-CE 3.68Å; V21-M140 HydrophobicContact CB-CG 4.43Å; V21-M140 HydrophobicContact CG1-CE 3.21Å; V21-M140 HydrophobicContact CG1-CG 3.87Å; V21-M140 HydrophobicContact CG1-SD 3.69Å; V21-M140 HydrophobicContact CG2-CB 4.33Å; V21-M140 HydrophobicContact CG2-CE 4.13Å; V21-M140 HydrophobicContact CG2-CG 3.99Å; V21-M140 WeakPolarHBondContact CG2-O 3.29Å; V21-F141 HydrophobicContact CB-CD1 4.31Å; V21-F141 HydrophobicContact CB-CE1 4.18Å; V21-F141 HydrophobicContact CG2-CB 4.23Å; V21-F141 HydrophobicContact CG2-CD1 3.66Å; V21-F141 HydrophobicContact CG2-CD2 4.34Å; V21-F141 HydrophobicContact CG2-CE1 4.01Å; V21-F141 HydrophobicContact CG2-CG 3.82Å; V21-F141 HydrophobicContact CG2-CZ 4.48Å; V21-V144 HydrophobicContact CB-CG2 4.48Å; V21-V144 HydrophobicContact CG1-CG2 4.09Å; V21-V144 HydrophobicContact CG2-CB 4.12Å; V21-V144 HydrophobicContact CG2-CG2 3.79Å; V21-M405 HydrophobicContact CB-CE 4.45Å; V21-M405 HydrophobicContact CG1-CB 4.44Å; V21-M405 HydrophobicContact CG1-CE 3.69Å; V21-M405 HydrophobicContact CG1-CG 3.27Å; V21-M405 HydrophobicContact CG1-SD 4.33Å; V21-M405 WeakPolarHBondContact O-CE 3.45Å
22E83.1Confident75.1Confident5 Ų548 Ų482%0.02325%0.249CC..  trans-137.2147.5-170.6-69.8-179.2153.200112.6T20 D26 R27 L30 H125 N409T20-E22 WeakPolarHBondContact CB-OE2 3.46Å; T20-E22 PolarHBondContact O-N 3.35Å; T20-E22 PolarHBondContact OG1-OE2 3.06Å; E22-D26 HydrophobicContact CB-CB 3.9Å; E22-D26 HydrophobicContact CG-CB 4.19Å; E22-R27 HydrophobicContact CB-CG 4.04Å; E22-L30 VanDerWaalsContact OE1-CD1 3.28Å; E22-L30 WeakPolarHBondContact OE1-CD1 3.42Å; E22-L30 WeakPolarHBondContact OE2-CD1 3.1Å; E22-H125 IonicContact OE1-CE1 2.74Å; E22-H125 PolarHBondContact OE1-CE1 3.35Å; E22-H125 VanDerWaalsContact OE1-CE1 3.32Å; E22-H125 IonicContact OE1-CG 3.53Å; E22-H125 IonicContact OE1-ND1 3.6Å; E22-H125 PolarHBondContact OE1-ND1 3.22Å; E22-N409 PolarHBondContact O-OD1 2.64Å
23D86.9Confident76.4Confident20 Ų2046 Ų4611%0.10723%0.234CC..  trans-82.9170.6171.3-165.68.3000110.2A25 D26 R27 S347 W351D23-A25 VanDerWaalsContact C-N 3.29Å; D23-A25 PolarHBondContact O-N 2.73Å; D23-D26 VanDerWaalsContact CB-OD2 3.3Å; D23-D26 WeakPolarHBondContact CB-OD2 3.46Å; D23-D26 PolarHBondContact N-OD2 3.4Å; D23-D26 VanDerWaalsContact N-OD2 3.08Å; D23-D26 PolarHBondContact O-N 3.08Å; D23-D26 VanDerWaalsContact O-N 3.08Å; D23-R27 WeakPolarHBondContact O-CG 3.35Å; D23-R27 PolarHBondContact O-N 3.35Å; D23-S347 PolarHBondContact OD2-OG 3.22Å; D23-W351 PolarHBondContact OD2-NE1 3.02Å
24F89Confident78Confident130 Ų13046.1 Ų46.157%0.5723%0.234SC*.Hα-helixtrans-53.5-44.2178.3177.1-105.9000113.1R27 L28F24-R27 WeakPolarHBondContact O-CB 3.08Å; F24-R27 PolarHBondContact O-N 3.07Å; F24-L28 HydrophobicContact CD1-CD1 3.98Å; F24-L28 HydrophobicContact CE1-CD1 3.38Å; F24-L28 HydrophobicContact CE1-CG 4.13Å; F24-L28 HydrophobicContact CE2-CD1 4.44Å; F24-L28 HydrophobicContact CE2-CG 4.37Å; F24-L28 HydrophobicContact CZ-CD1 3.66Å; F24-L28 HydrophobicContact CZ-CD2 4.27Å; F24-L28 HydrophobicContact CZ-CG 4.04Å; F24-L28 WeakPolarHBondContact O-CG 3.18Å; F24-L28 PolarHBondContact O-N 2.85Å
25A91.2Very high79.8Confident3 Ų345.8 Ų45.83%0.02523%0.229CC..Hα-helixtrans-65.6-39.2177.800000112.5D23 R27 L28 N29D23-A25 VanDerWaalsContact C-N 3.29Å; D23-A25 PolarHBondContact O-N 2.73Å; A25-R27 VanDerWaalsContact C-N 3.33Å; A25-R27 PolarHBondContact O-N 2.74Å; A25-L28 PolarHBondContact O-N 3.24Å; A25-N29 PolarHBondContact O-N 3.43Å
26D90.4Very high81.7Confident19 Ų1940.2 Ų40.210%0.10220%0.2CC..Hα-helixtrans-67.1-38.1179.2-52.4-40.2000110E22 D23 N29 L30 Y212 K216E22-D26 HydrophobicContact CB-CB 3.9Å; E22-D26 HydrophobicContact CG-CB 4.19Å; D23-D26 VanDerWaalsContact CB-OD2 3.3Å; D23-D26 WeakPolarHBondContact CB-OD2 3.46Å; D23-D26 PolarHBondContact N-OD2 3.4Å; D23-D26 VanDerWaalsContact N-OD2 3.08Å; D23-D26 PolarHBondContact O-N 3.08Å; D23-D26 VanDerWaalsContact O-N 3.08Å; D26-N29 WeakPolarHBondContact O-CB 3.48Å; D26-N29 PolarHBondContact O-N 3.29Å; D26-L30 PolarHBondContact O-N 3.33Å; D26-L30 VanDerWaalsContact O-N 3.09Å; D26-Y212 PolarHBondContact OD2-OH 3.29Å; D26-Y212 VanDerWaalsContact OD2-OH 3.13Å; D26-K216 IonicContact OD1-NZ 2.55Å; D26-K216 PolarHBondContact OD1-NZ 3.22Å; D26-K216 IonicContact OD2-NZ 3.02Å; D26-K216 PolarHBondContact OD2-NZ 3.3Å
27R89.6Confident83.7Confident54 Ų5442.2 Ų42.220%0.20420%0.202CC..Hα-helixtrans-63.7-42.2172.3-73.1174169.2171.92.3113.2Q17 E22 D23 F24 A25 N29 L30 F31 N409Q17-R27 HydrophobicContact CG-CG 4.34Å; Q17-R27 PolarHBondContact O-NH2 3.43Å; E22-R27 HydrophobicContact CB-CG 4.04Å; D23-R27 WeakPolarHBondContact O-CG 3.35Å; D23-R27 PolarHBondContact O-N 3.35Å; F24-R27 WeakPolarHBondContact O-CB 3.08Å; F24-R27 PolarHBondContact O-N 3.07Å; A25-R27 VanDerWaalsContact C-N 3.33Å; A25-R27 PolarHBondContact O-N 2.74Å; R27-N29 VanDerWaalsContact C-N 3.28Å; R27-N29 PolarHBondContact O-N 3.46Å; R27-L30 PolarHBondContact O-N 2.86Å; R27-F31 PolarHBondContact O-N 3.27Å; R27-N409 PolarHBondContact NH2-OD1 2.96Å
28L91.3Very high85.7Confident23 Ų2342.5 Ų42.512%0.1221%0.206CC..Hα-helixtrans-63.3-37.1174.8-74.9177.6000111.7F24 A25 F31 T32 F339 L340F24-L28 HydrophobicContact CD1-CD1 3.98Å; F24-L28 HydrophobicContact CE1-CD1 3.38Å; F24-L28 HydrophobicContact CE1-CG 4.13Å; F24-L28 HydrophobicContact CE2-CD1 4.44Å; F24-L28 HydrophobicContact CE2-CG 4.37Å; F24-L28 HydrophobicContact CZ-CD1 3.66Å; F24-L28 HydrophobicContact CZ-CD2 4.27Å; F24-L28 HydrophobicContact CZ-CG 4.04Å; F24-L28 WeakPolarHBondContact O-CG 3.18Å; F24-L28 PolarHBondContact O-N 2.85Å; A25-L28 PolarHBondContact O-N 3.24Å; L28-F31 PolarHBondContact O-N 2.8Å; L28-T32 PolarHBondContact O-N 3.42Å; L28-T32 PolarHBondContact O-OG1 3.46Å; L28-F339 HydrophobicContact CD1-CE1 3.91Å; L28-F339 HydrophobicContact CD1-CZ 4.4Å; L28-L340 HydrophobicContact CB-CD2 3.57Å; L28-L340 HydrophobicContact CD1-CD2 4.44Å
29N91.2Very high87.7Confident5 Ų537.5 Ų37.53%0.02719%0.189CC..Hα-helixtrans-61.2-45.9174.4-173.981.6000111.4A25 D26 R27 T32 V33 F121 T219A25-N29 PolarHBondContact O-N 3.43Å; D26-N29 WeakPolarHBondContact O-CB 3.48Å; D26-N29 PolarHBondContact O-N 3.29Å; R27-N29 VanDerWaalsContact C-N 3.28Å; R27-N29 PolarHBondContact O-N 3.46Å; N29-T32 VanDerWaalsContact O-CB 3.29Å; N29-T32 WeakPolarHBondContact O-CB 3.33Å; N29-T32 PolarHBondContact O-N 3.1Å; N29-V33 PolarHBondContact O-N 3.05Å; N29-F121 PolarHBondContact ND2-O 3.4Å; N29-F121 WeakPolarHBondContact OD1-CD1 3.39Å; N29-F121 WeakPolarHBondContact OD1-CE1 3.33Å; N29-T219 HydrophobicContact CB-CG2 4.49Å
30L89.6Confident89.4Confident37 Ų3736.4 Ų36.419%0.19418%0.182CC..Hα-helixtrans-63.1-41.4173.5-78.2-172.5000113.4E22 D26 R27 T32 V33 I34 Y122 H125E22-L30 VanDerWaalsContact OE1-CD1 3.28Å; E22-L30 WeakPolarHBondContact OE1-CD1 3.42Å; E22-L30 WeakPolarHBondContact OE2-CD1 3.1Å; D26-L30 PolarHBondContact O-N 3.33Å; D26-L30 VanDerWaalsContact O-N 3.09Å; R27-L30 PolarHBondContact O-N 2.86Å; L30-T32 PolarHBondContact O-N 3.27Å; L30-V33 VanDerWaalsContact O-CB 3.29Å; L30-V33 WeakPolarHBondContact O-CB 3.47Å; L30-V33 PolarHBondContact O-N 2.7Å; L30-V33 VanDerWaalsContact O-N 3.07Å; L30-I34 PolarHBondContact O-N 2.76Å; L30-Y122 HydrophobicContact CD2-CD2 4.09Å; L30-Y122 HydrophobicContact CD2-CE2 4.24Å; L30-H125 HydrophobicContact CD2-CB 3.73Å
31F90.2Very high90.7Very high94 Ų9440 Ų4041%0.41220%0.199SC..Hα-helixtrans-59.7-33.2175.3-179.6-109.4000111.8R27 L28 V33 I34 L35 W336R27-F31 PolarHBondContact O-N 3.27Å; L28-F31 PolarHBondContact O-N 2.8Å; F31-V33 VanDerWaalsContact C-N 3.32Å; F31-V33 PolarHBondContact O-N 2.96Å; F31-I34 WeakPolarHBondContact O-CB 3.3Å; F31-I34 PolarHBondContact O-N 3.05Å; F31-I34 VanDerWaalsContact O-N 3.15Å; F31-L35 HydrophobicContact CD1-CD1 3.87Å; F31-L35 HydrophobicContact CD1-CG 4.13Å; F31-L35 HydrophobicContact CE1-CD1 3.55Å; F31-L35 HydrophobicContact CE1-CD2 3.99Å; F31-L35 HydrophobicContact CE1-CG 3.79Å; F31-L35 HydrophobicContact CZ-CD1 4.31Å; F31-L35 HydrophobicContact CZ-CD2 3.88Å; F31-L35 HydrophobicContact CZ-CG 4.1Å; F31-L35 PolarHBondContact O-N 3.32Å; F31-W336 HydrophobicContact CD1-CH2 4.22Å; F31-W336 AromaticContact CD1-CZ2 3.78Å; F31-W336 HydrophobicContact CD1-CZ2 3.78Å; F31-W336 HydrophobicContact CE1-CH2 4.09Å; F31-W336 HydrophobicContact CE1-CZ2 4.03Å
32T92.4Very high91.4Very high0 Ų044 Ų440%022%0.219CC..Hα-helixtrans-65.7-33.8176.2-53.20000112.5L28 N29 L30 I34 L35 L36 F121 W336 L340L28-T32 PolarHBondContact O-N 3.42Å; L28-T32 PolarHBondContact O-OG1 3.46Å; N29-T32 VanDerWaalsContact O-CB 3.29Å; N29-T32 WeakPolarHBondContact O-CB 3.33Å; N29-T32 PolarHBondContact O-N 3.1Å; L30-T32 PolarHBondContact O-N 3.27Å; T32-I34 VanDerWaalsContact C-N 3.3Å; T32-I34 PolarHBondContact O-N 2.98Å; T32-L35 PolarHBondContact O-N 2.89Å; T32-L36 HydrophobicContact CG2-CD1 4.12Å; T32-L36 HydrophobicContact CG2-CG 4.45Å; T32-L36 WeakPolarHBondContact O-CB 3.23Å; T32-L36 WeakPolarHBondContact O-CG 3.38Å; T32-L36 PolarHBondContact O-N 2.75Å; T32-F121 HydrophobicContact CG2-CD2 4.42Å; T32-F121 HydrophobicContact CG2-CE1 4.45Å; T32-F121 HydrophobicContact CG2-CE2 4.29Å; T32-F121 HydrophobicContact CG2-CZ 4.33Å; T32-W336 PolarHBondContact OG1-NE1 3.36Å; T32-L340 HydrophobicContact CG2-CD1 3.76Å; T32-L340 WeakPolarHBondContact OG1-CD1 3.45Å
33V93.4Very high91.9Very high21 Ų2143.7 Ų43.713%0.12722%0.218CC..Hα-helixtrans-59.4-44171.9-179.60000110.2N29 L30 F31 L36 L37 C118 F121N29-V33 PolarHBondContact O-N 3.05Å; L30-V33 VanDerWaalsContact O-CB 3.29Å; L30-V33 WeakPolarHBondContact O-CB 3.47Å; L30-V33 PolarHBondContact O-N 2.7Å; L30-V33 VanDerWaalsContact O-N 3.07Å; F31-V33 VanDerWaalsContact C-N 3.32Å; F31-V33 PolarHBondContact O-N 2.96Å; V33-L36 PolarHBondContact O-N 2.77Å; V33-L37 WeakPolarHBondContact O-CB 3.05Å; V33-L37 PolarHBondContact O-N 3.09Å; V33-C118 VanDerWaalsContact CG1-SG 3.58Å; V33-F121 HydrophobicContact CG2-CB 3.76Å
34I90.6Very high92.2Very high73 Ų7344.3 Ų44.337%0.37422%0.224SC..Hα-helixtrans-63.9-45.8177.6-58.9173.5000110.6L30 F31 T32 L36 L37 I38L30-I34 PolarHBondContact O-N 2.76Å; F31-I34 WeakPolarHBondContact O-CB 3.3Å; F31-I34 PolarHBondContact O-N 3.05Å; F31-I34 VanDerWaalsContact O-N 3.15Å; T32-I34 VanDerWaalsContact C-N 3.3Å; T32-I34 PolarHBondContact O-N 2.98Å; I34-L36 PolarHBondContact O-N 3.31Å; I34-L37 PolarHBondContact O-N 3.37Å; I34-I38 HydrophobicContact CG2-CD1 3.9Å; I34-I38 HydrophobicContact CG2-CG1 4.49Å; I34-I38 WeakPolarHBondContact O-CG1 3.06Å; I34-I38 PolarHBondContact O-N 2.83Å
35L93.1Very high92.4Very high36 Ų3640.7 Ų40.719%0.18821%0.213CC..Hα-helixtrans-60-43.8177.4-68.9178.9000112.4F31 T32 T39 F332 F333 W336F31-L35 HydrophobicContact CD1-CD1 3.87Å; F31-L35 HydrophobicContact CD1-CG 4.13Å; F31-L35 HydrophobicContact CE1-CD1 3.55Å; F31-L35 HydrophobicContact CE1-CD2 3.99Å; F31-L35 HydrophobicContact CE1-CG 3.79Å; F31-L35 HydrophobicContact CZ-CD1 4.31Å; F31-L35 HydrophobicContact CZ-CD2 3.88Å; F31-L35 HydrophobicContact CZ-CG 4.1Å; F31-L35 PolarHBondContact O-N 3.32Å; T32-L35 PolarHBondContact O-N 2.89Å; L35-T39 WeakPolarHBondContact O-CB 3.24Å; L35-T39 PolarHBondContact O-N 2.74Å; L35-T39 PolarHBondContact O-OG1 2.91Å; L35-F332 HydrophobicContact CD1-CE1 4.31Å; L35-F332 HydrophobicContact CD1-CZ 4.32Å; L35-F333 HydrophobicContact CB-CE1 4.11Å; L35-F333 HydrophobicContact CB-CZ 4.26Å; L35-W336 HydrophobicContact CD1-CD2 4.39Å; L35-W336 HydrophobicContact CD1-CZ2 4.02Å
36L94.7Very high92.3Very high0 Ų045.6 Ų45.60%023%0.233CC..Hα-helixtrans-65.5-41.7177.5-76.4167.2000111.4T32 V33 I34 T39 C40 L114 Q117 C118 F121 F333T32-L36 HydrophobicContact CG2-CD1 4.12Å; T32-L36 HydrophobicContact CG2-CG 4.45Å; T32-L36 WeakPolarHBondContact O-CB 3.23Å; T32-L36 WeakPolarHBondContact O-CG 3.38Å; T32-L36 PolarHBondContact O-N 2.75Å; V33-L36 PolarHBondContact O-N 2.77Å; I34-L36 PolarHBondContact O-N 3.31Å; L36-T39 PolarHBondContact O-N 3.04Å; L36-C40 VanDerWaalsContact O-CB 3.24Å; L36-C40 WeakPolarHBondContact O-CB 3.47Å; L36-C40 PolarHBondContact O-N 2.97Å; L36-L114 HydrophobicContact CD2-CD2 4.13Å; L36-Q117 HydrophobicContact CD1-CB 4.24Å; L36-Q117 HydrophobicContact CD2-CB 4.4Å; L36-C118 HydrophobicContact CB-CB 3.95Å; L36-F121 HydrophobicContact CD1-CB 4.43Å; L36-F121 HydrophobicContact CD1-CD2 3.39Å; L36-F121 HydrophobicContact CD1-CE2 3.97Å; L36-F121 HydrophobicContact CD1-CG 4.21Å; L36-F333 HydrophobicContact CD2-CD1 3.93Å; L36-F333 HydrophobicContact CD2-CD2 4.23Å; L36-F333 HydrophobicContact CD2-CE1 3.55Å; L36-F333 HydrophobicContact CD2-CE2 3.86Å; L36-F333 HydrophobicContact CD2-CG 4.28Å; L36-F333 HydrophobicContact CD2-CZ 3.52Å; L36-F333 HydrophobicContact CG-CD1 4.4Å; L36-F333 HydrophobicContact CG-CE1 3.73Å; L36-F333 HydrophobicContact CG-CZ 3.92Å
37L93.7Very high92.3Very high94 Ų9445.2 Ų45.249%0.49223%0.231SC..Hα-helixtrans-61.9-49.1177.5-177.164.5000111.7V33 I34 T39 C40 I41V33-L37 WeakPolarHBondContact O-CB 3.05Å; V33-L37 PolarHBondContact O-N 3.09Å; I34-L37 PolarHBondContact O-N 3.37Å; L37-T39 VanDerWaalsContact C-N 3.3Å; L37-T39 PolarHBondContact O-N 2.82Å; L37-C40 WeakPolarHBondContact O-CB 3.37Å; L37-C40 PolarHBondContact O-N 3.38Å; L37-I41 HydrophobicContact CD1-CD1 4.48Å; L37-I41 HydrophobicContact CG-CD1 4.26Å; L37-I41 WeakPolarHBondContact O-CG1 3.45Å; L37-I41 PolarHBondContact O-N 2.87Å
38I93.9Very high92.2Very high88 Ų8849.1 Ų49.145%0.45125%0.247SC..Hα-helixtrans-58.5-46.2176.9-68.7169.5000110.1I34 C40 I41 I42I34-I38 HydrophobicContact CG2-CD1 3.9Å; I34-I38 HydrophobicContact CG2-CG1 4.49Å; I34-I38 WeakPolarHBondContact O-CG1 3.06Å; I34-I38 PolarHBondContact O-N 2.83Å; I38-C40 PolarHBondContact O-N 2.75Å; I38-I41 PolarHBondContact O-N 3.27Å; I38-I42 HydrophobicContact CG2-CD1 3.79Å; I38-I42 HydrophobicContact CG2-CG1 4.48Å; I38-I42 WeakPolarHBondContact O-CG1 3.36Å; I38-I42 PolarHBondContact O-N 2.55Å
39T94.4Very high92Very high23 Ų2354.5 Ų54.514%0.14128%0.275CS..Hα-helixtrans-65.7-40.5-179.4-53.40000112L35 L36 L37 I41 I42 V43 L114 I329 F333L35-T39 WeakPolarHBondContact O-CB 3.24Å; L35-T39 PolarHBondContact O-N 2.74Å; L35-T39 PolarHBondContact O-OG1 2.91Å; L36-T39 PolarHBondContact O-N 3.04Å; L37-T39 VanDerWaalsContact C-N 3.3Å; L37-T39 PolarHBondContact O-N 2.82Å; T39-I41 VanDerWaalsContact C-N 3.31Å; T39-I41 PolarHBondContact O-N 2.81Å; T39-I42 PolarHBondContact O-N 3.08Å; T39-V43 HydrophobicContact CG2-CG2 4.27Å; T39-V43 WeakPolarHBondContact O-CG2 3.36Å; T39-V43 PolarHBondContact O-N 2.97Å; T39-L114 HydrophobicContact CG2-CD1 4.2Å; T39-I329 HydrophobicContact CG2-CB 4.33Å; T39-I329 HydrophobicContact CG2-CD1 3.48Å; T39-I329 VanDerWaalsContact CG2-CD1 3.48Å; T39-I329 HydrophobicContact CG2-CG1 3.74Å; T39-I329 HydrophobicContact CG2-CG2 3.61Å; T39-F333 HydrophobicContact CG2-CE2 3.95Å
40C94.5Very high91.9Very high19 Ų1958.2 Ų58.213%0.12829%0.294CS..Hα-helixtrans-57.9-43.6174.6-174.40000111.4L36 L37 I38 S44 P111 L114L36-C40 VanDerWaalsContact O-CB 3.24Å; L36-C40 WeakPolarHBondContact O-CB 3.47Å; L36-C40 PolarHBondContact O-N 2.97Å; L37-C40 WeakPolarHBondContact O-CB 3.37Å; L37-C40 PolarHBondContact O-N 3.38Å; I38-C40 PolarHBondContact O-N 2.75Å; C40-S44 VanDerWaalsContact O-CB 3.26Å; C40-S44 WeakPolarHBondContact O-CB 3.36Å; C40-S44 PolarHBondContact O-N 3.17Å; C40-S44 PolarHBondContact O-OG 2.69Å; C40-P111 PolarHBondContact SG-O 3.3Å; C40-P111 VanDerWaalsContact SG-O 3.4Å; C40-L114 HydrophobicContact CB-CB 4.05Å
41I93.4Very high91.6Very high97 Ų9764 Ų6450%0.49733%0.325SS..Hα-helixtrans-64.7-44.7177-66.8165.6000111L37 I38 T39 S44 T45L37-I41 HydrophobicContact CD1-CD1 4.48Å; L37-I41 HydrophobicContact CG-CD1 4.26Å; L37-I41 WeakPolarHBondContact O-CG1 3.45Å; L37-I41 PolarHBondContact O-N 2.87Å; I38-I41 PolarHBondContact O-N 3.27Å; T39-I41 VanDerWaalsContact C-N 3.31Å; T39-I41 PolarHBondContact O-N 2.81Å; I41-S44 PolarHBondContact O-N 3.46Å; I41-T45 WeakPolarHBondContact O-CB 3.33Å; I41-T45 PolarHBondContact O-N 2.91Å; I41-T45 PolarHBondContact O-OG1 2.8Å
42I93.4Very high91.2Very high82 Ų8260.2 Ų60.242%0.42131%0.31SS..Hα-helixtrans-60.9-48.8179.1-69167.5000110.9I38 T39 T45 K46 L325I38-I42 HydrophobicContact CG2-CD1 3.79Å; I38-I42 HydrophobicContact CG2-CG1 4.48Å; I38-I42 WeakPolarHBondContact O-CG1 3.36Å; I38-I42 PolarHBondContact O-N 2.55Å; T39-I42 PolarHBondContact O-N 3.08Å; I42-T45 PolarHBondContact O-N 2.73Å; I42-K46 PolarHBondContact O-N 2.73Å; I42-L325 HydrophobicContact CG2-CD2 4.37Å
43V93.2Very high91.1Very high0 Ų060.9 Ų60.90%031%0.314CS..Hα-helixtrans-65.7-42.9179.5-179.90000110.7T39 T45 K46 Q47 V110 P111 L114 L325 I329T39-V43 HydrophobicContact CG2-CG2 4.27Å; T39-V43 WeakPolarHBondContact O-CG2 3.36Å; T39-V43 PolarHBondContact O-N 2.97Å; V43-T45 VanDerWaalsContact C-N 3.33Å; V43-T45 PolarHBondContact O-N 2.7Å; V43-K46 PolarHBondContact O-N 2.92Å; V43-Q47 VanDerWaalsContact O-CB 3.3Å; V43-Q47 WeakPolarHBondContact O-CB 3.33Å; V43-Q47 PolarHBondContact O-N 2.8Å; V43-V110 HydrophobicContact CG1-CB 4.46Å; V43-V110 HydrophobicContact CG1-CG1 3.92Å; V43-P111 HydrophobicContact CG1-CG 4.07Å; V43-L114 HydrophobicContact CB-CD1 4.35Å; V43-L114 HydrophobicContact CG2-CD1 4.01Å; V43-L325 HydrophobicContact CG2-CD2 4.38Å; V43-I329 HydrophobicContact CG2-CD1 3.4Å; V43-I329 VanDerWaalsContact CG2-CD1 3.4Å
44S92.9Very high91Very high32 Ų3263.8 Ų63.822%0.22434%0.335CS..Hα-helixtrans-60.2-43.6177.1-58.50000111.9C40 I41 K46 Q47 Y48 P111C40-S44 VanDerWaalsContact O-CB 3.26Å; C40-S44 WeakPolarHBondContact O-CB 3.36Å; C40-S44 PolarHBondContact O-N 3.17Å; C40-S44 PolarHBondContact O-OG 2.69Å; I41-S44 PolarHBondContact O-N 3.46Å; S44-K46 PolarHBondContact O-N 3.46Å; S44-Q47 PolarHBondContact O-N 3.29Å; S44-Y48 WeakPolarHBondContact O-CD2 3.48Å; S44-Y48 PolarHBondContact O-N 3.08Å; S44-P111 WeakPolarHBondContact OG-CB 3.36Å
45T92.5Very high91.2Very high55 Ų5561.4 Ų61.434%0.33733%0.325SS..Hα-helixtrans-60.1-46.9176.1-60.20000110.4I41 I42 V43 Q47 L49 L50I41-T45 WeakPolarHBondContact O-CB 3.33Å; I41-T45 PolarHBondContact O-N 2.91Å; I41-T45 PolarHBondContact O-OG1 2.8Å; I42-T45 PolarHBondContact O-N 2.73Å; V43-T45 VanDerWaalsContact C-N 3.33Å; V43-T45 PolarHBondContact O-N 2.7Å; T45-Q47 VanDerWaalsContact C-N 3.28Å; T45-Q47 PolarHBondContact O-N 3.49Å; T45-L49 HydrophobicContact CG2-CB 4.48Å; T45-L49 HydrophobicContact CG2-CD1 4.11Å; T45-L49 WeakPolarHBondContact O-CB 3.45Å; T45-L49 PolarHBondContact O-N 3.5Å; T45-L50 PolarHBondContact O-N 3.02Å
46K90.1Very high91.1Very high105 Ų10567 Ų6746%0.45734%0.344SS..Hα-helixtrans-64.7-30.1177.1-79.7-80.8169.5176.80113.5I42 V43 S44 L50 L325I42-K46 PolarHBondContact O-N 2.73Å; V43-K46 PolarHBondContact O-N 2.92Å; S44-K46 PolarHBondContact O-N 3.46Å; K46-L50 HydrophobicContact CD-CD1 3.59Å; K46-L50 VanDerWaalsContact CE-CD1 3.48Å; K46-L50 HydrophobicContact CG-CD1 4.23Å; K46-L325 HydrophobicContact CG-CD2 4.2Å
47Q89.3Confident90.9Very high11 Ų1168 Ų685%0.05135%0.349CS..Hα-helixtrans-85.1-38.4-176.1-179.5166-18.900113.8V43 S44 T45 W75 Y107 Q108 I322V43-Q47 VanDerWaalsContact O-CB 3.3Å; V43-Q47 WeakPolarHBondContact O-CB 3.33Å; V43-Q47 PolarHBondContact O-N 2.8Å; S44-Q47 PolarHBondContact O-N 3.29Å; T45-Q47 VanDerWaalsContact C-N 3.28Å; T45-Q47 PolarHBondContact O-N 3.49Å; Q47-W75 HydrophobicContact CG-CZ2 3.79Å; Q47-Y107 PolarHBondContact OE1-O 2.85Å; Q47-Q108 PolarHBondContact NE2-O 3.27Å; Q47-I322 HydrophobicContact CB-CD1 4.03Å; Q47-I322 HydrophobicContact CG-CD1 4.41Å
48Y87.5Confident90.6Very high136 Ų13668.3 Ų68.353%0.53336%0.357SS..Hα-helixtrans-108.7-26.5-172.1-64.3-68.6000114.3S44S44-Y48 WeakPolarHBondContact O-CD2 3.48Å; S44-Y48 PolarHBondContact O-N 3.08Å
49L88.6Confident90.2Very high137 Ų13769.1 Ų69.172%0.71737%0.366SS*.THydrogen-bonded Turntrans-103.5-23.5-177.7-59178.8000113T45T45-L49 HydrophobicContact CG2-CB 4.48Å; T45-L49 HydrophobicContact CG2-CD1 4.11Å; T45-L49 WeakPolarHBondContact O-CB 3.45Å; T45-L49 PolarHBondContact O-N 3.5Å
50L87.9Confident89.6Confident82 Ų8274.3 Ų74.343%0.42939%0.387SS..SBendtrans-116.9163.2-178.6-58.3175.6000110.4T45 K46 S52T45-L50 PolarHBondContact O-N 3.02Å; K46-L50 HydrophobicContact CD-CD1 3.59Å; K46-L50 VanDerWaalsContact CE-CD1 3.48Å; K46-L50 HydrophobicContact CG-CD1 4.23Å; L50-S52 PolarHBondContact O-N 3Å
51N83.1Confident88.9Confident159 Ų15974.6 Ų74.685%0.8539%0.388SS*.  trans-67.9106.6175.8-64.5-20.1000110.1
52S82.6Confident88.2Confident14 Ų1475.7 Ų75.710%0.09841%0.412CS..  trans-76-26.8179.4590000113L50L50-S52 PolarHBondContact O-N 3Å
53I90.6Very high87.7Confident15 Ų1573.8 Ų73.88%0.07741%0.412CS..  trans-139145.4-174.8-168.7167.8000110.4A71 C74 W75 T79 C318 L320I53-A71 HydrophobicContact CG2-CB 4.24Å; I53-C74 HydrophobicContact CD1-CB 4.29Å; I53-W75 HydrophobicContact CB-CE3 4.14Å; I53-W75 HydrophobicContact CG2-CB 4.11Å; I53-W75 HydrophobicContact CG2-CE3 4.32Å; I53-T79 HydrophobicContact CD1-CG2 4.19Å; I53-C318 HydrophobicContact CD1-CB 3.78Å; I53-C318 HydrophobicContact CG1-CB 3.89Å; I53-L320 HydrophobicContact CD1-CD1 3.81Å; I53-L320 HydrophobicContact CG1-CD1 3.91Å
54S91.2Very high87.1Confident81 Ų8183 Ų8357%0.56646%0.455SS*.EExtended strand (participates in β ladder)trans-131119.4171.2-177.50000108.9C318 A319S54-C318 CarbonylContact O-C 3.58Å; S54-C318 VanDerWaalsContact O-CA 3.31Å; S54-C318 WeakPolarHBondContact O-CA 3.21Å; S54-A319 PolarHBondContact N-O 2.73Å; S54-A319 PolarHBondContact O-N 3.45Å
55C93.7Very high86.8Confident24 Ų2487.3 Ų87.316%0.16248%0.476CS..EExtended strand (participates in β ladder)trans-111.6138.1-175.6-64.20000111.4L70 A316 Q317 C318C55-L70 HydrophobicContact CB-CD2 4.44Å; C55-A316 HydrophobicContact CB-CB 4.31Å; C55-Q317 WeakPolarHBondContact CA-O 3.02Å; C55-C318 HydrophobicContact CB-CB 4.13Å; C55-C318 WeakPolarHBondContact CB-SG 3.17Å; C55-C318 WeakPolarHBondContact SG-CB 3.28Å; C55-C318 CovalentContact SG-SG 2.05Å; C55-C318 PolarHBondContact SG-SG 3.12Å
56Y91.9Very high86.5Confident153 Ų15385.5 Ų85.560%0.646%0.463SS*.EExtended strand (participates in β ladder)trans-113135.1175.4178.8-102.1000110A316 Q317Y56-A316 WeakPolarHBondContact O-CA 3.47Å; Y56-Q317 PolarHBondContact N-O 2.71Å; Y56-Q317 PolarHBondContact O-N 3.46Å
57I90.7Very high86.5Confident20 Ų2084 Ų8410%0.10346%0.461CS..  trans-137.2132.1174.9-169.5173.7000109.4V59 K60 F66 L70 Y314I57-V59 WeakPolarHBondContact CD1-O 3.11Å; I57-K60 HydrophobicContact CG2-CB 4.36Å; I57-F66 HydrophobicContact CD1-CE1 4.16Å; I57-F66 HydrophobicContact CG2-CE1 4.25Å; I57-L70 HydrophobicContact CB-CD2 4.05Å; I57-L70 HydrophobicContact CD1-CD2 4.41Å; I57-L70 HydrophobicContact CG2-CD2 3.87Å; I57-Y314 HydrophobicContact CD1-CD1 3.81Å; I57-Y314 HydrophobicContact CD1-CG 4.15Å
58P86.4Confident86.5Confident101 Ų10188.4 Ų88.466%0.65648%0.484SS*.SBendtrans-74.4-34-177.227.4-34.6000113
59V85.9Confident86.6Confident105 Ų10587.4 Ų87.464%0.63648%0.48SS*.SBendtrans-123.5110.4-178-175.80000109.1I57I57-V59 WeakPolarHBondContact CD1-O 3.11Å
60K81.8Confident86.7Confident133 Ų13381 Ų8158%0.57845%0.446SS*.  trans-104.2142.3178.163.4175.9-176.5171.40111.6I57 F66I57-K60 HydrophobicContact CG2-CB 4.36Å; K60-F66 HydrophobicContact CB-CD1 3.86Å; K60-F66 HydrophobicContact CB-CE1 4.22Å
61P80.9Confident86.9Confident25 Ų2577.9 Ų77.916%0.16243%0.433CS..  trans-65162.3168.229.7-34.4000111.4G63 F66P61-G63 PolarHBondContact O-N 3.04Å; P61-G63 VanDerWaalsContact O-N 3.07Å; P61-F66 VanDerWaalsContact CD-CE1 3.41Å; P61-F66 HydrophobicContact CG-CD1 4Å; P61-F66 HydrophobicContact CG-CD2 3.48Å; P61-F66 VanDerWaalsContact CG-CD2 3.48Å; P61-F66 HydrophobicContact CG-CE1 4.04Å; P61-F66 HydrophobicContact CG-CE2 3.61Å; P61-F66 HydrophobicContact CG-CG 3.69Å; P61-F66 HydrophobicContact CG-CZ 3.85Å
62A78.4Confident87.3Confident119 Ų11975.2 Ų75.298%0.98342%0.419SS*.SBendtrans-67.8104.5174.600000110
63G81.3Confident87.7Confident42 Ų4276.7 Ų76.743%0.43342%0.423SS..  trans178.8133.5175.900000111.3P61P61-G63 PolarHBondContact O-N 3.04Å; P61-G63 VanDerWaalsContact O-N 3.07Å
64E81.9Confident87.8Confident194 Ų19476 Ų7691%0.90742%0.419SS*.THydrogen-bonded Turntrans-67.4-43.6-177.1-68.3-176.7166.900112F66E64-F66 VanDerWaalsContact C-N 3.27Å; E64-F66 PolarHBondContact O-N 3.1Å
65N85.9Confident87.8Confident123 Ų12373.9 Ų73.966%0.65840%0.399SS*.THydrogen-bonded Turntrans-86.913.4-175.5-62.1-17.3000114.1N67 D68 Y69N65-N67 PolarHBondContact O-N 3.45Å; N65-D68 PolarHBondContact O-N 3.22Å; N65-Y69 PolarHBondContact O-N 3.44Å
66F87.6Confident87.6Confident16 Ų1677.1 Ų77.17%0.0742%0.417CS..Hα-helixtrans-64.6-40-173.6-179.4-106.2000112.7I57 K60 P61 E64 Y69 L70 I305I57-F66 HydrophobicContact CD1-CE1 4.16Å; I57-F66 HydrophobicContact CG2-CE1 4.25Å; K60-F66 HydrophobicContact CB-CD1 3.86Å; K60-F66 HydrophobicContact CB-CE1 4.22Å; P61-F66 VanDerWaalsContact CD-CE1 3.41Å; P61-F66 HydrophobicContact CG-CD1 4Å; P61-F66 HydrophobicContact CG-CD2 3.48Å; P61-F66 VanDerWaalsContact CG-CD2 3.48Å; P61-F66 HydrophobicContact CG-CE1 4.04Å; P61-F66 HydrophobicContact CG-CE2 3.61Å; P61-F66 HydrophobicContact CG-CG 3.69Å; P61-F66 HydrophobicContact CG-CZ 3.85Å; E64-F66 VanDerWaalsContact C-N 3.27Å; E64-F66 PolarHBondContact O-N 3.1Å; F66-Y69 HydrophobicContact CE2-CD1 4.36Å; F66-Y69 PolarHBondContact O-N 3.28Å; F66-L70 HydrophobicContact CE1-CB 4.45Å; F66-L70 HydrophobicContact CE1-CD2 4.13Å; F66-L70 HydrophobicContact CZ-CB 4.45Å; F66-L70 VanDerWaalsContact O-CB 3.24Å; F66-L70 WeakPolarHBondContact O-CB 3.43Å; F66-L70 PolarHBondContact O-N 3.28Å; F66-I305 HydrophobicContact CD2-CD1 4.28Å; F66-I305 HydrophobicContact CE2-CD1 3.31Å; F66-I305 HydrophobicContact CZ-CD1 3.92Å
67N89Confident87.5Confident75 Ų7574.2 Ų74.240%0.40141%0.409SS..Hα-helixtrans-65.4-40.4-179.2-70.9-15.2000111.9N65 L70 A71N65-N67 PolarHBondContact O-N 3.45Å; N67-L70 PolarHBondContact O-N 3.4Å; N67-A71 WeakPolarHBondContact O-CB 3.31Å; N67-A71 PolarHBondContact O-N 2.03Å
68D89.3Confident87.5Confident102 Ų10273.9 Ų73.955%0.54541%0.41SS..Hα-helixtrans-70.1-41178.5-62.6-23.6000110.9N65 L70 A71 N72N65-D68 PolarHBondContact O-N 3.22Å; D68-L70 VanDerWaalsContact C-N 3.34Å; D68-L70 PolarHBondContact O-N 3.09Å; D68-A71 PolarHBondContact O-N 3.17Å; D68-N72 VanDerWaalsContact O-CB 3.27Å; D68-N72 WeakPolarHBondContact O-CB 3.31Å; D68-N72 VanDerWaalsContact O-CG 3.24Å; D68-N72 PolarHBondContact O-N 3.34Å; D68-N72 PolarHBondContact O-ND2 3.17Å
69Y89.3Confident87.7Confident116 Ų11669.2 Ų69.246%0.45538%0.38SS..Hα-helixtrans-58.9-47171.6172-99.9000111.3N65 F66 N72 Y73N65-Y69 PolarHBondContact O-N 3.44Å; F66-Y69 HydrophobicContact CE2-CD1 4.36Å; F66-Y69 PolarHBondContact O-N 3.28Å; Y69-N72 PolarHBondContact O-N 3.28Å; Y69-Y73 WeakPolarHBondContact O-CB 3.32Å; Y69-Y73 PolarHBondContact O-N 3.46Å
70L91.4Very high87.9Confident1 Ų164.6 Ų64.61%0.00535%0.352CS..Hα-helixtrans-61.1-49.2179.3177.265.9000111.5C55 I57 F66 N67 D68 N72 Y73 C74 V302 A316C55-L70 HydrophobicContact CB-CD2 4.44Å; I57-L70 HydrophobicContact CB-CD2 4.05Å; I57-L70 HydrophobicContact CD1-CD2 4.41Å; I57-L70 HydrophobicContact CG2-CD2 3.87Å; F66-L70 HydrophobicContact CE1-CB 4.45Å; F66-L70 HydrophobicContact CE1-CD2 4.13Å; F66-L70 HydrophobicContact CZ-CB 4.45Å; F66-L70 VanDerWaalsContact O-CB 3.24Å; F66-L70 WeakPolarHBondContact O-CB 3.43Å; F66-L70 PolarHBondContact O-N 3.28Å; N67-L70 PolarHBondContact O-N 3.4Å; D68-L70 VanDerWaalsContact C-N 3.34Å; D68-L70 PolarHBondContact O-N 3.09Å; L70-N72 PolarHBondContact O-N 3.35Å; L70-Y73 PolarHBondContact O-N 2.9Å; L70-C74 WeakPolarHBondContact O-CB 3Å; L70-C74 PolarHBondContact O-N 2.05Å; L70-C74 PolarHBondContact O-SG 2.76Å; L70-V302 HydrophobicContact CD1-CG2 3.47Å; L70-V302 VanDerWaalsContact CD1-CG2 3.47Å; L70-A316 HydrophobicContact CD1-CB 3.98Å; L70-A316 HydrophobicContact CD2-CB 3.8Å; L70-A316 HydrophobicContact CG-CB 4.14Å
71A91.5Very high88.1Confident18 Ų1858.4 Ų58.415%0.14933%0.325CS..Hα-helixtrans-60.2-45.5178.200000111.6I53 N67 D68 C74 W75I53-A71 HydrophobicContact CG2-CB 4.24Å; N67-A71 WeakPolarHBondContact O-CB 3.31Å; N67-A71 PolarHBondContact O-N 2.03Å; D68-A71 PolarHBondContact O-N 3.17Å; A71-C74 PolarHBondContact O-N 2.78Å; A71-W75 WeakPolarHBondContact O-CB 3.39Å; A71-W75 PolarHBondContact O-N 3.48Å
72N91Very high88.3Confident103 Ų10358.1 Ų58.155%0.55132%0.322SS*.Hα-helixtrans-66.6-42.4177.8-74.1-42.8000112.5D68 Y69 L70 W75 V76D68-N72 VanDerWaalsContact O-CB 3.27Å; D68-N72 WeakPolarHBondContact O-CB 3.31Å; D68-N72 VanDerWaalsContact O-CG 3.24Å; D68-N72 PolarHBondContact O-N 3.34Å; D68-N72 PolarHBondContact O-ND2 3.17Å; Y69-N72 PolarHBondContact O-N 3.28Å; L70-N72 PolarHBondContact O-N 3.35Å; N72-W75 PolarHBondContact O-N 3.41Å; N72-V76 WeakPolarHBondContact O-CG2 2.91Å; N72-V76 PolarHBondContact O-N 3.02Å
73Y91.5Very high88.4Confident45 Ų4553.7 Ų53.718%0.17629%0.286CS..Hα-helixtrans-60.3-49.6176.3-178.6-81.6000110.7Y69 L70 W75 V76 H77 V302 P303Y69-Y73 WeakPolarHBondContact O-CB 3.32Å; Y69-Y73 PolarHBondContact O-N 3.46Å; L70-Y73 PolarHBondContact O-N 2.9Å; Y73-W75 VanDerWaalsContact C-N 3.29Å; Y73-W75 PolarHBondContact O-N 2.92Å; Y73-V76 PolarHBondContact O-N 3.05Å; Y73-H77 HydrophobicContact CD1-CB 4.5Å; Y73-H77 AromaticContact CD1-CD2 3.91Å; Y73-H77 AromaticContact CD2-CD2 3.56Å; Y73-H77 AromaticContact CD2-NE2 3.82Å; Y73-H77 HydrophobicContact CE1-CB 4.13Å; Y73-H77 AromaticContact CE1-CD2 3.68Å; Y73-H77 AromaticContact CE1-CG 3.93Å; Y73-H77 AromaticContact CE2-CD2 3.32Å; Y73-H77 WeakPolarHBondContact CE2-CD2 3.44Å; Y73-H77 AromaticContact CE2-NE2 3.31Å; Y73-H77 VanDerWaalsContact CE2-NE2 3.31Å; Y73-H77 WeakPolarHBondContact CE2-NE2 3.44Å; Y73-H77 AromaticContact CG-CD2 3.85Å; Y73-H77 AromaticContact CZ-CD2 3.37Å; Y73-H77 AromaticContact CZ-CG 3.79Å; Y73-H77 AromaticContact CZ-NE2 3.64Å; Y73-H77 WeakPolarHBondContact O-CB 3.32Å; Y73-H77 PolarHBondContact O-CD2 2.83Å; Y73-H77 PolarHBondContact O-N 2.75Å; Y73-V302 HydrophobicContact CD1-CB 4.33Å; Y73-V302 HydrophobicContact CD1-CG1 4.18Å; Y73-V302 HydrophobicContact CD1-CG2 3.58Å; Y73-V302 HydrophobicContact CE1-CB 4.21Å; Y73-V302 HydrophobicContact CE1-CG1 4.07Å; Y73-V302 HydrophobicContact CE1-CG2 3.87Å; Y73-V302 HydrophobicContact CE2-CG1 4.4Å; Y73-V302 HydrophobicContact CG-CG1 4.41Å; Y73-V302 HydrophobicContact CG-CG2 4.29Å; Y73-P303 WeakPolarHBondContact OH-CD 3.47Å
74C92.3Very high88.1Confident0 Ų059 Ų590%030%0.304CS..Hα-helixtrans-65.5-33.4179.1-66.30000112.4I53 L70 A71 G78 C300I53-C74 HydrophobicContact CD1-CB 4.29Å; L70-C74 WeakPolarHBondContact O-CB 3Å; L70-C74 PolarHBondContact O-N 2.05Å; L70-C74 PolarHBondContact O-SG 2.76Å; A71-C74 PolarHBondContact O-N 2.78Å; C74-G78 CarbonylContact O-C 3.54Å; C74-G78 WeakPolarHBondContact O-CA 3.47Å; C74-G78 PolarHBondContact O-N 2.65Å; C74-G78 VanDerWaalsContact O-N 3.09Å; C74-C300 WeakPolarHBondContact CA-SG 3.02Å; C74-C300 HydrophobicContact CB-CB 3.6Å; C74-C300 WeakPolarHBondContact CB-SG 3.26Å; C74-C300 WeakPolarHBondContact SG-CB 3.47Å; C74-C300 CovalentContact SG-SG 2.03Å; C74-C300 PolarHBondContact SG-SG 2.72Å
75W91.5Very high88Confident37 Ų3756.4 Ų56.414%0.1430%0.297CS..Hα-helixtrans-64.4-47.5172.3-177-110000112.1Q47 I53 A71 N72 Y73 Q108 I322Q47-W75 HydrophobicContact CG-CZ2 3.79Å; I53-W75 HydrophobicContact CB-CE3 4.14Å; I53-W75 HydrophobicContact CG2-CB 4.11Å; I53-W75 HydrophobicContact CG2-CE3 4.32Å; A71-W75 WeakPolarHBondContact O-CB 3.39Å; A71-W75 PolarHBondContact O-N 3.48Å; N72-W75 PolarHBondContact O-N 3.41Å; Y73-W75 VanDerWaalsContact C-N 3.29Å; Y73-W75 PolarHBondContact O-N 2.92Å; W75-Q108 HydrophobicContact CZ2-CG 4.46Å; W75-Q108 PolarHBondContact O-NE2 3.37Å; W75-I322 HydrophobicContact CH2-CD1 3.94Å; W75-I322 HydrophobicContact CH2-CG2 3.94Å; W75-I322 HydrophobicContact CZ3-CG2 3.92Å
76V90.4Very high87.6Confident92 Ų9251.6 Ų51.656%0.55827%0.27SS*.Hα-helixtrans-74.3-40.1-175.2172.10000112.8N72 Y73 Q108N72-V76 WeakPolarHBondContact O-CG2 2.91Å; N72-V76 PolarHBondContact O-N 3.02Å; Y73-V76 PolarHBondContact O-N 3.05Å; V76-Q108 PolarHBondContact O-NE2 2.89Å
77H89.1Confident87.4Confident92 Ų9260.8 Ų60.843%0.42630%0.304SS..Hα-helixtrans-82.5-20.1-179.8-76.3-84.5000113.3Y73Y73-H77 HydrophobicContact CD1-CB 4.5Å; Y73-H77 AromaticContact CD1-CD2 3.91Å; Y73-H77 AromaticContact CD2-CD2 3.56Å; Y73-H77 AromaticContact CD2-NE2 3.82Å; Y73-H77 HydrophobicContact CE1-CB 4.13Å; Y73-H77 AromaticContact CE1-CD2 3.68Å; Y73-H77 AromaticContact CE1-CG 3.93Å; Y73-H77 AromaticContact CE2-CD2 3.32Å; Y73-H77 WeakPolarHBondContact CE2-CD2 3.44Å; Y73-H77 AromaticContact CE2-NE2 3.31Å; Y73-H77 VanDerWaalsContact CE2-NE2 3.31Å; Y73-H77 WeakPolarHBondContact CE2-NE2 3.44Å; Y73-H77 AromaticContact CG-CD2 3.85Å; Y73-H77 AromaticContact CZ-CD2 3.37Å; Y73-H77 AromaticContact CZ-CG 3.79Å; Y73-H77 AromaticContact CZ-NE2 3.64Å; Y73-H77 WeakPolarHBondContact O-CB 3.32Å; Y73-H77 PolarHBondContact O-CD2 2.83Å; Y73-H77 PolarHBondContact O-N 2.75Å
78G90.5Very high87.2Confident12 Ų1260.7 Ų60.712%0.12430%0.302CS..  trans92.8175.6-176.400000112.9C74 I104C74-G78 CarbonylContact O-C 3.54Å; C74-G78 WeakPolarHBondContact O-CA 3.47Å; C74-G78 PolarHBondContact O-N 2.65Å; C74-G78 VanDerWaalsContact O-N 3.09Å; G78-I104 WeakPolarHBondContact CA-O 3.45Å
79T91.1Very high87Confident4 Ų456.3 Ų56.33%0.02528%0.28CS..BIsolated β-bridgetrans-130.7159.3-173.959.70000111.6I53 I104 A298 C300 L320I53-T79 HydrophobicContact CD1-CG2 4.19Å; T79-I104 PolarHBondContact N-O 3.13Å; T79-I104 PolarHBondContact O-N 2.95Å; T79-A298 HydrophobicContact CG2-CB 4.4Å; T79-A298 WeakPolarHBondContact OG1-CB 3.4Å; T79-C300 HydrophobicContact CG2-CB 4.42Å; T79-L320 HydrophobicContact CG2-CD1 4.36Å
80I90Very high86.7Confident7 Ų755.8 Ų55.84%0.03629%0.288CS..BIsolated β-bridgetrans-118.5118.5-177.1-60.7162.9000109W95 Y98 D99 R102 Y299I80-W95 HydrophobicContact CD1-CE3 3.94Å; I80-W95 HydrophobicContact CD1-CZ3 3.93Å; I80-Y98 HydrophobicContact CG2-CD1 4.29Å; I80-D99 HydrophobicContact CD1-CB 3.83Å; I80-R102 HydrophobicContact CG2-CB 3.98Å; I80-Y299 PolarHBondContact N-O 2.99Å; I80-Y299 PolarHBondContact O-N 3.23Å
81P87Confident86.4Confident3 Ų358.9 Ų58.92%0.01931%0.307CS..  trans-79.1143.4174.635.2-37.9000111.9R102 I104 M292 P295P81-R102 WeakPolarHBondContact CD-O 3.35Å; P81-R102 WeakPolarHBondContact O-CD 3.21Å; P81-R102 PolarHBondContact O-NH1 3.32Å; P81-I104 HydrophobicContact CG-CD1 3.95Å; P81-M292 HydrophobicContact CB-SD 3.66Å; P81-M292 HydrophobicContact CG-CB 4.12Å; P81-M292 HydrophobicContact CG-SD 4.01Å; P81-P295 HydrophobicContact CB-CB 3.75Å; P81-P295 HydrophobicContact CB-CG 3.9Å; P81-P295 HydrophobicContact CG-CG 4.4Å
82L84.8Confident86.1Confident19 Ų1962.9 Ų62.910%0.09932%0.323CS..  trans-121149.2172.4-61.9177.3000108.7E86 Y98 Y299L82-E86 WeakPolarHBondContact CA-OE2 3.02Å; L82-Y98 HydrophobicContact CD2-CD1 3.71Å; L82-Y98 HydrophobicContact CD2-CE1 3.45Å; L82-Y98 VanDerWaalsContact CD2-CE1 3.45Å; L82-Y299 HydrophobicContact CB-CD2 3.94Å; L82-Y299 HydrophobicContact CB-CE2 3.81Å; L82-Y299 HydrophobicContact CD1-CD2 3.48Å; L82-Y299 VanDerWaalsContact CD1-CD2 3.48Å; L82-Y299 HydrophobicContact CD1-CE2 3.71Å; L82-Y299 HydrophobicContact CD1-CG 3.93Å; L82-Y299 HydrophobicContact CG-CD2 3.61Å; L82-Y299 HydrophobicContact CG-CE2 3.96Å; L82-Y299 HydrophobicContact CG-CG 4.41Å
83A79.4Confident85.8Confident27 Ų2761 Ų6122%0.22332%0.321CS..  trans-74.8157.5172.300000110.9D85 E86 M292A83-D85 WeakPolarHBondContact CB-OD1 3.1Å; A83-D85 PolarHBondContact O-N 3.11Å; A83-E86 HydrophobicContact CB-CB 3.93Å; A83-E86 PolarHBondContact N-OE2 3.29Å; A83-E86 WeakPolarHBondContact O-CB 3.12Å; A83-E86 PolarHBondContact O-N 3.32Å; A83-E86 VanDerWaalsContact O-N 3.14Å; A83-M292 VanDerWaalsContact CA-CE 3.42Å; A83-M292 HydrophobicContact CB-CE 3.52Å
84D76.5Confident85.5Confident152 Ų15261.4 Ų61.481%0.81333%0.325SS*.THydrogen-bonded Turntrans-64.4-30.4-176.8-65-34.9000112.5
85D78.7Confident85.2Confident141 Ų14162 Ų6275%0.75433%0.327SS*.THydrogen-bonded Turntrans-91.3-4.3177.863.8-44.5000113.8A83A83-D85 WeakPolarHBondContact CB-OD1 3.1Å; A83-D85 PolarHBondContact O-N 3.11Å
86E78Confident85Confident22 Ų2266.7 Ų66.710%0.10335%0.351CS..PPolyproline II helixtrans-88.1133.9-173.5-176.7176-155.200112.3L82 A83 Y98 R102 G250L82-E86 WeakPolarHBondContact CA-OE2 3.02Å; A83-E86 HydrophobicContact CB-CB 3.93Å; A83-E86 PolarHBondContact N-OE2 3.29Å; A83-E86 WeakPolarHBondContact O-CB 3.12Å; A83-E86 PolarHBondContact O-N 3.32Å; A83-E86 VanDerWaalsContact O-N 3.14Å; E86-Y98 WeakPolarHBondContact OE1-CE1 3.28Å; E86-Y98 VanDerWaalsContact OE1-CZ 3.22Å; E86-Y98 PolarHBondContact OE1-OH 2.8Å; E86-R102 VanDerWaalsContact CD-NH1 3.34Å; E86-R102 IonicContact OE1-CZ 3.32Å; E86-R102 IonicContact OE1-NH1 3.9Å; E86-R102 PolarHBondContact OE1-NH1 2.9Å; E86-R102 VanDerWaalsContact OE1-NH1 3.17Å; E86-R102 IonicContact OE1-NH2 2.7Å; E86-R102 PolarHBondContact OE1-NH2 3.38Å; E86-R102 IonicContact OE2-CZ 2.64Å; E86-R102 IonicContact OE2-NH1 3.24Å; E86-R102 PolarHBondContact OE2-NH1 2.89Å; E86-R102 IonicContact OE2-NH2 2.73Å; E86-R102 PolarHBondContact OE2-NH2 3.5Å; E86-G250 VanDerWaalsContact CD-CA 3.46Å; E86-G250 WeakPolarHBondContact OE1-CA 3.29Å; E86-G250 PolarHBondContact OE1-N 2.89Å
87R83.2Confident84.6Confident208 Ų20864.8 Ų64.879%0.78534%0.336SS*.PPolyproline II helixtrans-74.7137.7178-171.9176.1178.8165.11.4111
88M84.5Confident84.4Confident74 Ų7461.1 Ų61.137%0.36532%0.318SS..PPolyproline II helixtrans-60.4134174.9-168.6172178.400112T90 W95 T315M88-T90 PolarHBondContact O-N 3.43Å; M88-W95 HydrophobicContact CE-CH2 4.27Å; M88-W95 HydrophobicContact CE-CZ2 3.69Å; M88-W95 HydrophobicContact CG-CZ2 4.04Å; M88-T315 HydrophobicContact CE-CG2 3.6Å; M88-T315 WeakPolarHBondContact CE-OG1 3.29Å
89P85.7Confident84.1Confident10 Ų1062.7 Ų62.77%0.06532%0.324CS..PPolyproline II helixtrans-60.2133.1177.2-23.132.6000112.1Q94 W95 Y98P89-Q94 HydrophobicContact CB-CB 3.82Å; P89-W95 HydrophobicContact CB-CD2 4.01Å; P89-W95 HydrophobicContact CB-CG 4.04Å; P89-W95 HydrophobicContact CB-CZ2 4.34Å; P89-W95 HydrophobicContact CG-CD2 4.22Å; P89-W95 HydrophobicContact CG-CE3 4.49Å; P89-W95 HydrophobicContact CG-CZ2 4.26Å; P89-W95 PolarHBondContact O-NE1 3.42Å; P89-Y98 HydrophobicContact CG-CD1 4.28Å; P89-Y98 HydrophobicContact CG-CD2 3.88Å; P89-Y98 HydrophobicContact CG-CE1 4.31Å; P89-Y98 HydrophobicContact CG-CE2 3.88Å; P89-Y98 HydrophobicContact CG-CG 4.06Å
90T82.8Confident83.7Confident104 Ų10466.9 Ų66.964%0.63835%0.354SS*.  trans-103.5-27-177.255.20000112.9M88 Q94M88-T90 PolarHBondContact O-N 3.43Å; T90-Q94 VanDerWaalsContact N-OE1 3.14Å; T90-Q94 PolarHBondContact OG1-OE1 3.4Å
91T85.7Confident83.1Confident66 Ų6669.3 Ų69.341%0.40537%0.369SS..SBendtrans-102.2154.9-177.563.90000112.1A93 Q94 W95T91-A93 VanDerWaalsContact C-N 3.33Å; T91-A93 PolarHBondContact O-N 3.49Å; T91-Q94 PolarHBondContact O-N 3.39Å; T91-Q94 WeakPolarHBondContact OG1-CB 3.17Å; T91-Q94 WeakPolarHBondContact OG1-CG 3.39Å; T91-Q94 PolarHBondContact OG1-N 3.15Å; T91-Q94 PolarHBondContact OG1-OE1 3.06Å; T91-W95 PolarHBondContact O-N 2.95Å
92E84.1Confident82.7Confident102 Ų10269.6 Ų69.648%0.47737%0.37SS..Hα-helixtrans-58.6-45.3176.4-168.967.8-148.900112Q94 W95 E96 R301E92-Q94 VanDerWaalsContact C-N 3.31Å; E92-Q94 PolarHBondContact O-N 2.91Å; E92-W95 PolarHBondContact O-N 3.3Å; E92-W95 VanDerWaalsContact O-N 3.14Å; E92-E96 PolarHBondContact O-N 3.42Å; E92-R301 IonicContact OE1-CZ 2.85Å; E92-R301 IonicContact OE1-NH1 3.95Å; E92-R301 PolarHBondContact OE1-NH1 2.94Å; E92-R301 IonicContact OE2-CZ 3.38Å; E92-R301 IonicContact OE2-NH1 3.03Å; E92-R301 PolarHBondContact OE2-NH1 2.88Å; E92-R301 IonicContact OE2-NH2 3.17Å; E92-R301 PolarHBondContact OE2-NH2 3.34Å
93A84.9Confident82.7Confident63 Ų6374.2 Ų74.252%0.52139%0.386SS..Hα-helixtrans-61.1-39-179.100000112.1T91 E96 E97T91-A93 VanDerWaalsContact C-N 3.33Å; T91-A93 PolarHBondContact O-N 3.49Å; A93-E96 PolarHBondContact O-N 2.9Å; A93-E97 PolarHBondContact O-N 2.89Å; A93-E97 VanDerWaalsContact O-N 3.11Å
94Q85.1Confident82.9Confident55 Ų5573.8 Ų73.826%0.25738%0.379SS..Hα-helixtrans-64.6-46.6174.6-71.5167.9-3200111P89 T90 T91 E92 E96 E97 Y98 F255P89-Q94 HydrophobicContact CB-CB 3.82Å; T90-Q94 VanDerWaalsContact N-OE1 3.14Å; T90-Q94 PolarHBondContact OG1-OE1 3.4Å; T91-Q94 PolarHBondContact O-N 3.39Å; T91-Q94 WeakPolarHBondContact OG1-CB 3.17Å; T91-Q94 WeakPolarHBondContact OG1-CG 3.39Å; T91-Q94 PolarHBondContact OG1-N 3.15Å; T91-Q94 PolarHBondContact OG1-OE1 3.06Å; E92-Q94 VanDerWaalsContact C-N 3.31Å; E92-Q94 PolarHBondContact O-N 2.91Å; Q94-E96 VanDerWaalsContact C-N 3.3Å; Q94-E96 PolarHBondContact O-N 2.81Å; Q94-E97 PolarHBondContact O-N 3.39Å; Q94-Y98 WeakPolarHBondContact O-CD2 3.21Å; Q94-Y98 PolarHBondContact O-N 3.27Å; Q94-F255 HydrophobicContact CB-CE1 4.35Å; Q94-F255 HydrophobicContact CB-CE2 4.44Å; Q94-F255 HydrophobicContact CB-CZ 3.92Å; Q94-F255 HydrophobicContact CG-CD2 4.38Å; Q94-F255 HydrophobicContact CG-CE1 4Å; Q94-F255 HydrophobicContact CG-CE2 3.91Å; Q94-F255 HydrophobicContact CG-CZ 3.71Å
95W86.8Confident83.3Confident12 Ų1268.7 Ų68.75%0.04535%0.354CS..Hα-helixtrans-59-40.9177.2-85.5105.9000113I80 M88 P89 T91 E92 E97 Y98 D99 R301 T315I80-W95 HydrophobicContact CD1-CE3 3.94Å; I80-W95 HydrophobicContact CD1-CZ3 3.93Å; M88-W95 HydrophobicContact CE-CH2 4.27Å; M88-W95 HydrophobicContact CE-CZ2 3.69Å; M88-W95 HydrophobicContact CG-CZ2 4.04Å; P89-W95 HydrophobicContact CB-CD2 4.01Å; P89-W95 HydrophobicContact CB-CG 4.04Å; P89-W95 HydrophobicContact CB-CZ2 4.34Å; P89-W95 HydrophobicContact CG-CD2 4.22Å; P89-W95 HydrophobicContact CG-CE3 4.49Å; P89-W95 HydrophobicContact CG-CZ2 4.26Å; P89-W95 PolarHBondContact O-NE1 3.42Å; T91-W95 PolarHBondContact O-N 2.95Å; E92-W95 PolarHBondContact O-N 3.3Å; E92-W95 VanDerWaalsContact O-N 3.14Å; W95-E97 VanDerWaalsContact C-N 3.3Å; W95-E97 PolarHBondContact O-N 3.42Å; W95-Y98 PolarHBondContact O-N 2.88Å; W95-D99 WeakPolarHBondContact O-CB 3.31Å; W95-D99 PolarHBondContact O-N 3.41Å; W95-R301 VanDerWaalsContact CD1-CZ 3.5Å; W95-R301 HydrophobicContact CD2-CB 4.29Å; W95-R301 VanDerWaalsContact CD2-CD 3.46Å; W95-R301 HydrophobicContact CE3-CB 4.15Å; W95-R301 VanDerWaalsContact CG-NH1 3.33Å; W95-R301 HydrophobicContact CZ3-CB 4.37Å; W95-T315 HydrophobicContact CH2-CG2 4.48Å; W95-T315 HydrophobicContact CZ2-CG2 3.82Å
96E86.5Confident83.7Confident136 Ų13663.3 Ų63.364%0.63632%0.323SS*.Hα-helixtrans-61.6-39.7177.2-172.6170.9-165.100111.8E92 A93 Q94 D99 S100E92-E96 PolarHBondContact O-N 3.42Å; A93-E96 PolarHBondContact O-N 2.9Å; Q94-E96 VanDerWaalsContact C-N 3.3Å; Q94-E96 PolarHBondContact O-N 2.81Å; E96-D99 PolarHBondContact O-N 3.38Å; E96-S100 WeakPolarHBondContact O-CB 3.16Å; E96-S100 PolarHBondContact O-N 3Å
97E82.5Confident84.1Confident51 Ų5162.5 Ų62.524%0.23832%0.319CS..Hα-helixtrans-68.9-45177.1-169160.9136.400112.7A93 Q94 W95 D99 S100 T101 L249 F255 L258A93-E97 PolarHBondContact O-N 2.89Å; A93-E97 VanDerWaalsContact O-N 3.11Å; Q94-E97 PolarHBondContact O-N 3.39Å; W95-E97 VanDerWaalsContact C-N 3.3Å; W95-E97 PolarHBondContact O-N 3.42Å; E97-D99 VanDerWaalsContact C-N 3.3Å; E97-D99 PolarHBondContact O-N 3.43Å; E97-S100 PolarHBondContact O-N 3.04Å; E97-S100 PolarHBondContact O-OG 3.07Å; E97-T101 WeakPolarHBondContact O-CB 3.42Å; E97-T101 PolarHBondContact O-N 2.68Å; E97-T101 PolarHBondContact O-OG1 3.24Å; E97-T101 VanDerWaalsContact O-OG1 3.08Å; E97-L249 HydrophobicContact CG-CD1 4.38Å; E97-F255 HydrophobicContact CB-CE1 3.51Å; E97-F255 HydrophobicContact CB-CZ 3.77Å; E97-F255 VanDerWaalsContact CD-CD1 3.47Å; E97-F255 HydrophobicContact CG-CE1 3.74Å; E97-F255 HydrophobicContact CG-CZ 3.97Å; E97-F255 WeakPolarHBondContact OE1-CD1 3.37Å; E97-F255 VanDerWaalsContact OE1-CE1 3.26Å; E97-F255 WeakPolarHBondContact OE1-CE1 2.95Å; E97-F255 WeakPolarHBondContact OE2-CD1 3.36Å; E97-F255 WeakPolarHBondContact OE2-CE1 3.3Å; E97-L258 HydrophobicContact CG-CD2 4.49Å; E97-L258 WeakPolarHBondContact OE1-CD2 3.31Å
98Y84.4Confident84.3Confident15 Ų1554.4 Ų54.46%0.05929%0.29CS..Hα-helixtrans-59.7-42.4173.8-88.8-102.9000111.8I80 L82 E86 P89 Q94 W95 T101 R102 L249 F255I80-Y98 HydrophobicContact CG2-CD1 4.29Å; L82-Y98 HydrophobicContact CD2-CD1 3.71Å; L82-Y98 HydrophobicContact CD2-CE1 3.45Å; L82-Y98 VanDerWaalsContact CD2-CE1 3.45Å; E86-Y98 WeakPolarHBondContact OE1-CE1 3.28Å; E86-Y98 VanDerWaalsContact OE1-CZ 3.22Å; E86-Y98 PolarHBondContact OE1-OH 2.8Å; P89-Y98 HydrophobicContact CG-CD1 4.28Å; P89-Y98 HydrophobicContact CG-CD2 3.88Å; P89-Y98 HydrophobicContact CG-CE1 4.31Å; P89-Y98 HydrophobicContact CG-CE2 3.88Å; P89-Y98 HydrophobicContact CG-CG 4.06Å; Q94-Y98 WeakPolarHBondContact O-CD2 3.21Å; Q94-Y98 PolarHBondContact O-N 3.27Å; W95-Y98 PolarHBondContact O-N 2.88Å; Y98-T101 PolarHBondContact O-N 3.38Å; Y98-R102 WeakPolarHBondContact O-CA 3.29Å; Y98-R102 WeakPolarHBondContact O-CB 3.49Å; Y98-R102 PolarHBondContact O-N 2.76Å; Y98-L249 HydrophobicContact CD1-CD2 3.74Å; Y98-L249 HydrophobicContact CD2-CD2 3.77Å; Y98-L249 HydrophobicContact CD2-CG 4.35Å; Y98-L249 HydrophobicContact CE1-CD2 3.83Å; Y98-L249 HydrophobicContact CE1-CG 4.27Å; Y98-L249 HydrophobicContact CE2-CD2 3.91Å; Y98-L249 HydrophobicContact CE2-CG 4.03Å; Y98-L249 HydrophobicContact CG-CD2 3.72Å; Y98-F255 HydrophobicContact CD2-CZ 4.26Å; Y98-F255 HydrophobicContact CE2-CE2 4.11Å; Y98-F255 HydrophobicContact CE2-CZ 4.13Å
99D84.8Confident84.7Confident45 Ų4557.7 Ų57.724%0.24130%0.299CS..Hα-helixtrans-65.2-40.9177.9-177.773.2000111.8I80 W95 E96 E97 T101 R103I80-D99 HydrophobicContact CD1-CB 3.83Å; W95-D99 WeakPolarHBondContact O-CB 3.31Å; W95-D99 PolarHBondContact O-N 3.41Å; E96-D99 PolarHBondContact O-N 3.38Å; E97-D99 VanDerWaalsContact C-N 3.3Å; E97-D99 PolarHBondContact O-N 3.43Å; D99-T101 VanDerWaalsContact C-N 3.31Å; D99-T101 PolarHBondContact O-N 3.14Å; D99-R103 WeakPolarHBondContact O-CB 3.33Å; D99-R103 PolarHBondContact O-N 2.91Å; D99-R103 IonicContact OD1-CZ 2.7Å; D99-R103 IonicContact OD1-NE 3.1Å; D99-R103 PolarHBondContact OD1-NE 3.43Å; D99-R103 IonicContact OD1-NH2 3Å; D99-R103 PolarHBondContact OD1-NH2 3.38Å; D99-R103 IonicContact OD2-CZ 3.36Å; D99-R103 IonicContact OD2-NE 3.49Å; D99-R103 IonicContact OD2-NH1 2.7Å; D99-R103 IonicContact OD2-NH2 2.91Å; D99-R103 PolarHBondContact OD2-NH2 3.48Å
100S81.8Confident85Confident93 Ų9357.2 Ų57.265%0.6530%0.295SS*.Hα-helixtrans-66.4-30.8175.876.20000113.6E96 E97E96-S100 WeakPolarHBondContact O-CB 3.16Å; E96-S100 PolarHBondContact O-N 3Å; E97-S100 PolarHBondContact O-N 3.04Å; E97-S100 PolarHBondContact O-OG 3.07Å
101T78Confident85.5Confident57 Ų5752.6 Ų52.635%0.3527%0.267SS..Hα-helixtrans-100-35.4-171.4-56.80000113.4E97 Y98 D99E97-T101 WeakPolarHBondContact O-CB 3.42Å; E97-T101 PolarHBondContact O-N 2.68Å; E97-T101 PolarHBondContact O-OG1 3.24Å; E97-T101 VanDerWaalsContact O-OG1 3.08Å; Y98-T101 PolarHBondContact O-N 3.38Å; D99-T101 VanDerWaalsContact C-N 3.31Å; D99-T101 PolarHBondContact O-N 3.14Å
102R79.8Confident85.8Confident10 Ų1055.1 Ų55.14%0.03827%0.273CS..Hα-helixtrans-120.7-3.9-167.7-60.1-165.2178.7167.27.2114.9I80 P81 E86 Y98 I104 S246 L249 G250I80-R102 HydrophobicContact CG2-CB 3.98Å; P81-R102 WeakPolarHBondContact CD-O 3.35Å; P81-R102 WeakPolarHBondContact O-CD 3.21Å; P81-R102 PolarHBondContact O-NH1 3.32Å; E86-R102 VanDerWaalsContact CD-NH1 3.34Å; E86-R102 IonicContact OE1-CZ 3.32Å; E86-R102 IonicContact OE1-NH1 3.9Å; E86-R102 PolarHBondContact OE1-NH1 2.9Å; E86-R102 VanDerWaalsContact OE1-NH1 3.17Å; E86-R102 IonicContact OE1-NH2 2.7Å; E86-R102 PolarHBondContact OE1-NH2 3.38Å; E86-R102 IonicContact OE2-CZ 2.64Å; E86-R102 IonicContact OE2-NH1 3.24Å; E86-R102 PolarHBondContact OE2-NH1 2.89Å; E86-R102 IonicContact OE2-NH2 2.73Å; E86-R102 PolarHBondContact OE2-NH2 3.5Å; Y98-R102 WeakPolarHBondContact O-CA 3.29Å; Y98-R102 WeakPolarHBondContact O-CB 3.49Å; Y98-R102 PolarHBondContact O-N 2.76Å; R102-I104 WeakPolarHBondContact O-CG1 3.21Å; R102-I104 PolarHBondContact O-N 2.95Å; R102-S246 PolarHBondContact NE-O 3.41Å; R102-S246 PolarHBondContact NH2-O 3.2Å; R102-L249 HydrophobicContact CG-CD2 4.26Å; R102-G250 VanDerWaalsContact NH2-N 3.18Å
103R84.7Confident86.3Confident116 Ų11651.3 Ų51.344%0.43826%0.256SS..  trans-57.7129179.8177.2-169.5-71.3166.1-17110.7D99D99-R103 WeakPolarHBondContact O-CB 3.33Å; D99-R103 PolarHBondContact O-N 2.91Å; D99-R103 IonicContact OD1-CZ 2.7Å; D99-R103 IonicContact OD1-NE 3.1Å; D99-R103 PolarHBondContact OD1-NE 3.43Å; D99-R103 IonicContact OD1-NH2 3Å; D99-R103 PolarHBondContact OD1-NH2 3.38Å; D99-R103 IonicContact OD2-CZ 3.36Å; D99-R103 IonicContact OD2-NE 3.49Å; D99-R103 IonicContact OD2-NH1 2.7Å; D99-R103 IonicContact OD2-NH2 2.91Å; D99-R103 PolarHBondContact OD2-NH2 3.48Å
104I82.7Confident86.8Confident17 Ų1748.3 Ų48.39%0.08723%0.232CC..BIsolated β-bridgetrans-110.1117.8177.1-49.3-177.7000110.6G78 T79 P81 R102 Y106 Y107 M292 P295G78-I104 WeakPolarHBondContact CA-O 3.45Å; T79-I104 PolarHBondContact N-O 3.13Å; T79-I104 PolarHBondContact O-N 2.95Å; P81-I104 HydrophobicContact CG-CD1 3.95Å; R102-I104 WeakPolarHBondContact O-CG1 3.21Å; R102-I104 PolarHBondContact O-N 2.95Å; I104-Y106 HydrophobicContact CG2-CD1 3.19Å; I104-Y106 HydrophobicContact CG2-CE1 3.31Å; I104-Y106 HydrophobicContact CG2-CG 4.23Å; I104-Y107 HydrophobicContact CB-CE2 3.82Å; I104-Y107 HydrophobicContact CG2-CD2 4.05Å; I104-Y107 HydrophobicContact CG2-CE1 4.39Å; I104-Y107 HydrophobicContact CG2-CE2 3.29Å; I104-Y107 VanDerWaalsContact CG2-CZ 3.48Å; I104-Y107 WeakPolarHBondContact CG2-OH 3.24Å; I104-M292 WeakPolarHBondContact CD1-O 3.34Å; I104-P295 HydrophobicContact CD1-CG 3.72Å
105T85.7Confident87.2Confident46 Ų4646.7 Ų46.728%0.28223%0.23SC..  trans-120.9-5.1179.1-470000112.5Y107 Q108T105-Y107 PolarHBondContact O-N 2.86Å; T105-Y107 VanDerWaalsContact O-N 3.14Å; T105-Q108 PolarHBondContact O-N 3.5Å
106Y85.8Confident87.5Confident27 Ų2750.2 Ų50.211%0.10625%0.249CC..G310 helixtrans-63.2-27.3-17276.9-103.5000113.8I104 Q108 W109 V110 F233 L234 L293 F294 N323I104-Y106 HydrophobicContact CG2-CD1 3.19Å; I104-Y106 HydrophobicContact CG2-CE1 3.31Å; I104-Y106 HydrophobicContact CG2-CG 4.23Å; Y106-Q108 PolarHBondContact O-N 3.37Å; Y106-Q108 VanDerWaalsContact O-N 3.16Å; Y106-W109 WeakPolarHBondContact O-CA 3.49Å; Y106-W109 WeakPolarHBondContact O-CB 3.49Å; Y106-W109 PolarHBondContact O-N 2.86Å; Y106-V110 HydrophobicContact CD2-CG2 3.93Å; Y106-V110 HydrophobicContact CE2-CG2 4.29Å; Y106-V110 PolarHBondContact O-N 3.46Å; Y106-F233 AromaticContact CD2-CE1 3.66Å; Y106-F233 HydrophobicContact CD2-CE1 3.66Å; Y106-F233 AromaticContact CD2-CZ 3.83Å; Y106-F233 HydrophobicContact CD2-CZ 3.83Å; Y106-F233 HydrophobicContact CE2-CE1 4.41Å; Y106-F233 HydrophobicContact CG-CE1 4.32Å; Y106-F233 HydrophobicContact CG-CZ 4.26Å; Y106-F233 WeakPolarHBondContact O-CZ 3.25Å; Y106-L234 HydrophobicContact CE2-CD2 4.34Å; Y106-L293 HydrophobicContact CE1-CD1 4.36Å; Y106-L293 PolarHBondContact OH-O 3.33Å; Y106-F294 WeakPolarHBondContact OH-CD1 3.27Å; Y106-F294 WeakPolarHBondContact OH-CE1 3.14Å; Y106-N323 PolarHBondContact OH-OD1 3.5Å; Y106-N323 VanDerWaalsContact OH-OD1 3.1Å
107Y86.3Confident87.9Confident6 Ų643.8 Ų43.82%0.02422%0.219CC..G310 helixtrans-53.3-38.5-178.4-51.7-59.3000113.1Q47 I104 T105 W109 V110 L320 N323Q47-Y107 PolarHBondContact OE1-O 2.85Å; I104-Y107 HydrophobicContact CB-CE2 3.82Å; I104-Y107 HydrophobicContact CG2-CD2 4.05Å; I104-Y107 HydrophobicContact CG2-CE1 4.39Å; I104-Y107 HydrophobicContact CG2-CE2 3.29Å; I104-Y107 VanDerWaalsContact CG2-CZ 3.48Å; I104-Y107 WeakPolarHBondContact CG2-OH 3.24Å; T105-Y107 PolarHBondContact O-N 2.86Å; T105-Y107 VanDerWaalsContact O-N 3.14Å; Y107-W109 PolarHBondContact O-N 3.45Å; Y107-V110 PolarHBondContact O-N 3.41Å; Y107-L320 HydrophobicContact CD2-CD2 4.01Å; Y107-L320 HydrophobicContact CE2-CD2 3.61Å; Y107-N323 HydrophobicContact CE1-CB 3.97Å; Y107-N323 WeakPolarHBondContact CE1-OD1 3.44Å; Y107-N323 PolarHBondContact OH-ND2 3.42Å
108Q88.5Confident88.5Confident37 Ų3742.1 Ų42.117%0.17321%0.213CC..G310 helixtrans-62.3-29.6179.5-60170.3-2.700111.9Q47 W75 V76 T105 Y106Q47-Q108 PolarHBondContact NE2-O 3.27Å; W75-Q108 HydrophobicContact CZ2-CG 4.46Å; W75-Q108 PolarHBondContact O-NE2 3.37Å; V76-Q108 PolarHBondContact O-NE2 2.89Å; T105-Q108 PolarHBondContact O-N 3.5Å; Y106-Q108 PolarHBondContact O-N 3.37Å; Y106-Q108 VanDerWaalsContact O-N 3.16Å
109W92Very high88.9Confident143 Ų14346.5 Ų46.554%0.54224%0.236SC..G310 helixtrans-95.8-8.8-172.9-6197.2000113.8Y106 Y107 F112 V113 F233Y106-W109 WeakPolarHBondContact O-CA 3.49Å; Y106-W109 WeakPolarHBondContact O-CB 3.49Å; Y106-W109 PolarHBondContact O-N 2.86Å; Y107-W109 PolarHBondContact O-N 3.45Å; W109-F112 AromaticContact CE3-CD2 3.99Å; W109-F112 HydrophobicContact CE3-CD2 3.99Å; W109-F112 HydrophobicContact CZ3-CD2 4.48Å; W109-F112 PolarHBondContact O-N 2.83Å; W109-V113 WeakPolarHBondContact O-CG2 3.43Å; W109-V113 PolarHBondContact O-N 3.45Å; W109-F233 HydrophobicContact CB-CE2 4.07Å; W109-F233 HydrophobicContact CB-CZ 4.41Å
110V93Very high89.4Confident0 Ų046.1 Ų46.10%023%0.234CC..Hα-helixtrans-55.1-48.8-176.5173.90000112.7V43 Y106 Y107 F112 V113 L114 F233 Y330V43-V110 HydrophobicContact CG1-CB 4.46Å; V43-V110 HydrophobicContact CG1-CG1 3.92Å; Y106-V110 HydrophobicContact CD2-CG2 3.93Å; Y106-V110 HydrophobicContact CE2-CG2 4.29Å; Y106-V110 PolarHBondContact O-N 3.46Å; Y107-V110 PolarHBondContact O-N 3.41Å; V110-F112 VanDerWaalsContact C-N 3.34Å; V110-F112 PolarHBondContact O-N 3.13Å; V110-V113 PolarHBondContact O-N 3.1Å; V110-L114 HydrophobicContact CG1-CD1 3.88Å; V110-L114 HydrophobicContact CG1-CG 4.28Å; V110-L114 WeakPolarHBondContact O-CG 3.29Å; V110-L114 PolarHBondContact O-N 3.2Å; V110-F233 HydrophobicContact CG2-CE1 3.86Å; V110-F233 HydrophobicContact CG2-CZ 3.78Å; V110-Y330 HydrophobicContact CG1-CE2 4.25Å; V110-Y330 HydrophobicContact CG2-CE2 4.35Å
111P92.7Very high89.9Confident7 Ų741.7 Ų41.75%0.04520%0.203CC..Hα-helixtrans-61.8-41179.2-21.331.9000113.1C40 V43 S44 V113 L114 G115C40-P111 PolarHBondContact SG-O 3.3Å; C40-P111 VanDerWaalsContact SG-O 3.4Å; V43-P111 HydrophobicContact CG1-CG 4.07Å; S44-P111 WeakPolarHBondContact OG-CB 3.36Å; P111-V113 VanDerWaalsContact C-N 3.33Å; P111-V113 PolarHBondContact O-N 3.18Å; P111-L114 PolarHBondContact O-N 3.33Å; P111-G115 PolarHBondContact O-N 2.9Å
112F92.7Very high90.6Very high120 Ų12043.4 Ų43.453%0.52620%0.204SC..Hα-helixtrans-65.6-39.6179.4-60.6-66.2000111.5W109 V110 G115 L116W109-F112 AromaticContact CE3-CD2 3.99Å; W109-F112 HydrophobicContact CE3-CD2 3.99Å; W109-F112 HydrophobicContact CZ3-CD2 4.48Å; W109-F112 PolarHBondContact O-N 2.83Å; V110-F112 VanDerWaalsContact C-N 3.34Å; V110-F112 PolarHBondContact O-N 3.13Å; F112-G115 PolarHBondContact O-N 3.42Å; F112-L116 WeakPolarHBondContact O-CB 3.48Å; F112-L116 PolarHBondContact O-N 3.05Å
113V93.6Very high91.1Very high21 Ų2146.6 Ų46.613%0.12722%0.22CC..Hα-helixtrans-65.3-49.9174.5171.10000110.5W109 V110 P111 G115 L116 Q117 L229 F233W109-V113 WeakPolarHBondContact O-CG2 3.43Å; W109-V113 PolarHBondContact O-N 3.45Å; V110-V113 PolarHBondContact O-N 3.1Å; P111-V113 VanDerWaalsContact C-N 3.33Å; P111-V113 PolarHBondContact O-N 3.18Å; V113-G115 VanDerWaalsContact C-N 3.26Å; V113-G115 PolarHBondContact O-N 3.2Å; V113-L116 WeakPolarHBondContact O-CB 3.42Å; V113-L116 PolarHBondContact O-N 3.2Å; V113-Q117 HydrophobicContact CG1-CG 4.16Å; V113-Q117 VanDerWaalsContact O-CG 3.25Å; V113-Q117 WeakPolarHBondContact O-CG 3.15Å; V113-Q117 PolarHBondContact O-N 3.28Å; V113-L229 HydrophobicContact CG1-CD2 3.49Å; V113-L229 VanDerWaalsContact CG1-CD2 3.49Å; V113-F233 HydrophobicContact CB-CE2 4.33Å; V113-F233 HydrophobicContact CG1-CD2 4.48Å; V113-F233 HydrophobicContact CG1-CG 4.48Å; V113-F233 HydrophobicContact CG2-CD2 3.74Å; V113-F233 HydrophobicContact CG2-CE2 3.55Å; V113-F233 HydrophobicContact CG2-CZ 4.2Å
114L94.6Very high91.4Very high0 Ų041.2 Ų41.20%020%0.201CC..Hα-helixtrans-56.8-40.9176.9-70.8173.1000112.1L36 T39 C40 V43 V110 P111 Q117 C118L36-L114 HydrophobicContact CD2-CD2 4.13Å; T39-L114 HydrophobicContact CG2-CD1 4.2Å; C40-L114 HydrophobicContact CB-CB 4.05Å; V43-L114 HydrophobicContact CB-CD1 4.35Å; V43-L114 HydrophobicContact CG2-CD1 4.01Å; V110-L114 HydrophobicContact CG1-CD1 3.88Å; V110-L114 HydrophobicContact CG1-CG 4.28Å; V110-L114 WeakPolarHBondContact O-CG 3.29Å; V110-L114 PolarHBondContact O-N 3.2Å; P111-L114 PolarHBondContact O-N 3.33Å; L114-Q117 PolarHBondContact O-N 3.4Å; L114-C118 WeakPolarHBondContact O-CB 3.16Å; L114-C118 PolarHBondContact O-N 2.89Å
115G94Very high91.7Very high21 Ų2141.3 Ų41.322%0.21620%0.201CC..Hα-helixtrans-62.1-44.317400000112.8P111 F112 V113 C118 I119P111-G115 PolarHBondContact O-N 2.9Å; F112-G115 PolarHBondContact O-N 3.42Å; V113-G115 VanDerWaalsContact C-N 3.26Å; V113-G115 PolarHBondContact O-N 3.2Å; G115-C118 WeakPolarHBondContact O-CB 3.38Å; G115-C118 PolarHBondContact O-N 2.88Å; G115-I119 WeakPolarHBondContact O-CG1 3.43Å; G115-I119 PolarHBondContact O-N 3.06Å; G115-I119 VanDerWaalsContact O-N 3.07Å
116L94.1Very high91.7Very high87 Ų8743 Ų4346%0.45521%0.208SC..Hα-helixtrans-62.6-44.3174.5178.462.7000111.7F112 V113 C118 I119 L120F112-L116 WeakPolarHBondContact O-CB 3.48Å; F112-L116 PolarHBondContact O-N 3.05Å; V113-L116 WeakPolarHBondContact O-CB 3.42Å; V113-L116 PolarHBondContact O-N 3.2Å; L116-C118 VanDerWaalsContact C-N 3.3Å; L116-C118 PolarHBondContact O-N 3.25Å; L116-I119 PolarHBondContact O-N 2.89Å; L116-L120 HydrophobicContact CD1-CD1 4.24Å; L116-L120 HydrophobicContact CD1-CG 4.26Å; L116-L120 HydrophobicContact CG-CD1 3.99Å; L116-L120 HydrophobicContact CG-CG 4.44Å; L116-L120 WeakPolarHBondContact O-CB 3.43Å; L116-L120 VanDerWaalsContact O-CG 3.28Å; L116-L120 WeakPolarHBondContact O-CG 3.48Å; L116-L120 PolarHBondContact O-N 2.78Å
117Q94.6Very high91.9Very high1 Ų143.3 Ų43.31%0.00522%0.215CC..Hα-helixtrans-59.8-42.4176.5-64.4-172.9-56.400111.2L36 V113 L114 L120 F121 L229 I230L36-Q117 HydrophobicContact CD1-CB 4.24Å; L36-Q117 HydrophobicContact CD2-CB 4.4Å; V113-Q117 HydrophobicContact CG1-CG 4.16Å; V113-Q117 VanDerWaalsContact O-CG 3.25Å; V113-Q117 WeakPolarHBondContact O-CG 3.15Å; V113-Q117 PolarHBondContact O-N 3.28Å; L114-Q117 PolarHBondContact O-N 3.4Å; Q117-L120 PolarHBondContact O-N 3.26Å; Q117-F121 WeakPolarHBondContact O-CD2 3.14Å; Q117-F121 PolarHBondContact O-N 3.2Å; Q117-L229 HydrophobicContact CG-CD2 4.04Å; Q117-I230 VanDerWaalsContact NE2-CG1 3.32Å
118C95.2Very high92Very high15 Ų1543.3 Ų43.310%0.10122%0.215CC..Hα-helixtrans-57.6-49.8175.7-176.10000111.8V33 L36 L114 G115 L116 L120 F121 Y122V33-C118 VanDerWaalsContact CG1-SG 3.58Å; L36-C118 HydrophobicContact CB-CB 3.95Å; L114-C118 WeakPolarHBondContact O-CB 3.16Å; L114-C118 PolarHBondContact O-N 2.89Å; G115-C118 WeakPolarHBondContact O-CB 3.38Å; G115-C118 PolarHBondContact O-N 2.88Å; L116-C118 VanDerWaalsContact C-N 3.3Å; L116-C118 PolarHBondContact O-N 3.25Å; C118-L120 PolarHBondContact O-N 3.48Å; C118-F121 PolarHBondContact O-N 2.95Å; C118-Y122 PolarHBondContact O-N 3.06Å
119I92.9Very high91.8Very high108 Ų10845 Ų4555%0.55422%0.223SC*.Hα-helixtrans-60-48.1177.8-67.1166.1000110.6G115 L116 F121 Y122 I123G115-I119 WeakPolarHBondContact O-CG1 3.43Å; G115-I119 PolarHBondContact O-N 3.06Å; G115-I119 VanDerWaalsContact O-N 3.07Å; L116-I119 PolarHBondContact O-N 2.89Å; I119-F121 VanDerWaalsContact C-N 3.31Å; I119-F121 PolarHBondContact O-N 3.16Å; I119-Y122 WeakPolarHBondContact O-CB 3.27Å; I119-Y122 PolarHBondContact O-N 3.37Å; I119-I123 PolarHBondContact O-N 3.36Å
120L94.3Very high91.4Very high37 Ų3740.4 Ų40.419%0.19422%0.216CC..Hα-helixtrans-61.1-38.2-179.3-70.8172.6000112.2L116 Q117 C118 Y122 I123 P124 N222L116-L120 HydrophobicContact CD1-CD1 4.24Å; L116-L120 HydrophobicContact CD1-CG 4.26Å; L116-L120 HydrophobicContact CG-CD1 3.99Å; L116-L120 HydrophobicContact CG-CG 4.44Å; L116-L120 WeakPolarHBondContact O-CB 3.43Å; L116-L120 VanDerWaalsContact O-CG 3.28Å; L116-L120 WeakPolarHBondContact O-CG 3.48Å; L116-L120 PolarHBondContact O-N 2.78Å; Q117-L120 PolarHBondContact O-N 3.26Å; C118-L120 PolarHBondContact O-N 3.48Å; L120-Y122 VanDerWaalsContact C-N 3.27Å; L120-Y122 PolarHBondContact O-N 2.96Å; L120-I123 HydrophobicContact CD2-CD1 3.8Å; L120-I123 PolarHBondContact O-N 3.3Å; L120-P124 WeakPolarHBondContact O-CD 3.46Å; L120-N222 PolarHBondContact O-ND2 3.37Å
121F93.6Very high90.9Very high0 Ų041.3 Ų41.30%022%0.223CC..Hα-helixtrans-66.7-23.3173.5-91.7-68.9000114.4N29 T32 V33 L36 Q117 C118 I119 P124 N222 Q226 I337 L340N29-F121 PolarHBondContact ND2-O 3.4Å; N29-F121 WeakPolarHBondContact OD1-CD1 3.39Å; N29-F121 WeakPolarHBondContact OD1-CE1 3.33Å; T32-F121 HydrophobicContact CG2-CD2 4.42Å; T32-F121 HydrophobicContact CG2-CE1 4.45Å; T32-F121 HydrophobicContact CG2-CE2 4.29Å; T32-F121 HydrophobicContact CG2-CZ 4.33Å; V33-F121 HydrophobicContact CG2-CB 3.76Å; L36-F121 HydrophobicContact CD1-CB 4.43Å; L36-F121 HydrophobicContact CD1-CD2 3.39Å; L36-F121 HydrophobicContact CD1-CE2 3.97Å; L36-F121 HydrophobicContact CD1-CG 4.21Å; Q117-F121 WeakPolarHBondContact O-CD2 3.14Å; Q117-F121 PolarHBondContact O-N 3.2Å; C118-F121 PolarHBondContact O-N 2.95Å; I119-F121 VanDerWaalsContact C-N 3.31Å; I119-F121 PolarHBondContact O-N 3.16Å; F121-P124 WeakPolarHBondContact O-CD 3.27Å; F121-N222 WeakPolarHBondContact CA-ND2 3.29Å; F121-Q226 HydrophobicContact CD2-CG 3.99Å; F121-Q226 HydrophobicContact CE2-CB 3.88Å; F121-Q226 HydrophobicContact CE2-CG 3.42Å; F121-Q226 VanDerWaalsContact CE2-CG 3.42Å; F121-Q226 HydrophobicContact CZ-CB 4.04Å; F121-Q226 HydrophobicContact CZ-CG 3.73Å; F121-I337 HydrophobicContact CE2-CD1 3.95Å; F121-I337 HydrophobicContact CE2-CG1 4.22Å; F121-I337 HydrophobicContact CZ-CD1 4.05Å; F121-I337 HydrophobicContact CZ-CG1 3.88Å; F121-I337 HydrophobicContact CZ-CG2 4.08Å; F121-L340 HydrophobicContact CE1-CD1 4.2Å; F121-L340 HydrophobicContact CZ-CD1 4.4Å
122Y91.7Very high90.4Very high93 Ų9341 Ų4137%0.36522%0.221SC..Hα-helixtrans-84.4-22.5176.6-169-119.4000113.4L30 C118 I119 L120 H125 I126L30-Y122 HydrophobicContact CD2-CD2 4.09Å; L30-Y122 HydrophobicContact CD2-CE2 4.24Å; C118-Y122 PolarHBondContact O-N 3.06Å; I119-Y122 WeakPolarHBondContact O-CB 3.27Å; I119-Y122 PolarHBondContact O-N 3.37Å; L120-Y122 VanDerWaalsContact C-N 3.27Å; L120-Y122 PolarHBondContact O-N 2.96Å; Y122-H125 HydrophobicContact CD2-CB 4.39Å; Y122-H125 HydrophobicContact CE2-CB 4.41Å; Y122-H125 AromaticContact CE2-CD2 3.47Å; Y122-H125 VanDerWaalsContact CE2-CD2 3.47Å; Y122-H125 WeakPolarHBondContact CE2-CD2 3.3Å; Y122-H125 AromaticContact CZ-CD2 3.82Å; Y122-H125 WeakPolarHBondContact O-CB 3.46Å; Y122-H125 PolarHBondContact O-N 3.26Å; Y122-H125 VanDerWaalsContact O-N 3.15Å; Y122-I126 HydrophobicContact CD1-CD1 3.5Å; Y122-I126 VanDerWaalsContact CD1-CD1 3.5Å; Y122-I126 HydrophobicContact CD1-CG1 3.78Å; Y122-I126 HydrophobicContact CE1-CD1 3.53Å; Y122-I126 HydrophobicContact CE1-CG1 3.54Å; Y122-I126 PolarHBondContact O-N 2.91Å
123I91.3Very high89.7Confident76 Ų7638.7 Ų38.739%0.3922%0.224SC..Hα-helixtrans-53.8-46.6-179.2-69.2174.4000113.7I119 L120 H125 I126 A127I119-I123 PolarHBondContact O-N 3.36Å; L120-I123 HydrophobicContact CD2-CD1 3.8Å; L120-I123 PolarHBondContact O-N 3.3Å; I123-H125 PolarHBondContact O-N 3.02Å; I123-I126 PolarHBondContact O-N 3.27Å; I123-A127 WeakPolarHBondContact O-CB 3.42Å; I123-A127 PolarHBondContact O-N 3.06Å
124P91Very high88.7Confident4 Ų443.3 Ų43.33%0.02626%0.256CS..Hα-helixtrans-61.3-32.2-178.9-22.432.5000113.6L120 F121 A127 W128 V215 I218 T219L120-P124 WeakPolarHBondContact O-CD 3.46Å; F121-P124 WeakPolarHBondContact O-CD 3.27Å; P124-A127 PolarHBondContact O-N 2.84Å; P124-W128 PolarHBondContact O-N 3.34Å; P124-V215 HydrophobicContact CB-CG1 4.43Å; P124-V215 WeakPolarHBondContact O-CG1 3.5Å; P124-I218 HydrophobicContact CG-CG2 4.39Å; P124-T219 VanDerWaalsContact CB-OG1 3.24Å; P124-T219 WeakPolarHBondContact CB-OG1 3.33Å
125H87.9Confident87.3Confident19 Ų1946.2 Ų46.29%0.08827%0.267CS..Hα-helixtrans-67.4-47.3175.6176.880.8000111.4E22 L30 Y122 I123 A127 W128 Q129E22-H125 IonicContact OE1-CE1 2.74Å; E22-H125 PolarHBondContact OE1-CE1 3.35Å; E22-H125 VanDerWaalsContact OE1-CE1 3.32Å; E22-H125 IonicContact OE1-CG 3.53Å; E22-H125 IonicContact OE1-ND1 3.6Å; E22-H125 PolarHBondContact OE1-ND1 3.22Å; L30-H125 HydrophobicContact CD2-CB 3.73Å; Y122-H125 HydrophobicContact CD2-CB 4.39Å; Y122-H125 HydrophobicContact CE2-CB 4.41Å; Y122-H125 AromaticContact CE2-CD2 3.47Å; Y122-H125 VanDerWaalsContact CE2-CD2 3.47Å; Y122-H125 WeakPolarHBondContact CE2-CD2 3.3Å; Y122-H125 AromaticContact CZ-CD2 3.82Å; Y122-H125 WeakPolarHBondContact O-CB 3.46Å; Y122-H125 PolarHBondContact O-N 3.26Å; Y122-H125 VanDerWaalsContact O-N 3.15Å; I123-H125 PolarHBondContact O-N 3.02Å; H125-A127 VanDerWaalsContact C-N 3.28Å; H125-A127 PolarHBondContact O-N 2.95Å; H125-W128 WeakPolarHBondContact O-CB 3.49Å; H125-W128 PolarHBondContact O-N 2.96Å; H125-W128 VanDerWaalsContact O-N 3.15Å; H125-Q129 PolarHBondContact NE2-NE2 3.34Å; H125-Q129 WeakPolarHBondContact O-CG 3.31Å; H125-Q129 PolarHBondContact O-N 2.86Å
126I87.1Confident86Confident82 Ų8245.3 Ų45.342%0.42126%0.258SS..Hα-helixtrans-59.1-43.5173.7-60.6173.4000110.2Y122 I123 W128 Q129 A130Y122-I126 HydrophobicContact CD1-CD1 3.5Å; Y122-I126 VanDerWaalsContact CD1-CD1 3.5Å; Y122-I126 HydrophobicContact CD1-CG1 3.78Å; Y122-I126 HydrophobicContact CE1-CD1 3.53Å; Y122-I126 HydrophobicContact CE1-CG1 3.54Å; Y122-I126 PolarHBondContact O-N 2.91Å; I123-I126 PolarHBondContact O-N 3.27Å; I126-W128 VanDerWaalsContact C-N 3.28Å; I126-W128 PolarHBondContact O-N 3.29Å; I126-Q129 PolarHBondContact O-N 3.47Å; I126-A130 WeakPolarHBondContact O-CB 3.46Å; I126-A130 PolarHBondContact O-N 3.08Å
127A88.3Confident84.5Confident32 Ų3244.5 Ų44.526%0.26427%0.27SS..Hα-helixtrans-61-37.8178.400000111.9I123 P124 H125 A131 V215I123-A127 WeakPolarHBondContact O-CB 3.42Å; I123-A127 PolarHBondContact O-N 3.06Å; P124-A127 PolarHBondContact O-N 2.84Å; H125-A127 VanDerWaalsContact C-N 3.28Å; H125-A127 PolarHBondContact O-N 2.95Å; A127-A131 VanDerWaalsContact O-CB 3.26Å; A127-A131 WeakPolarHBondContact O-CB 3.44Å; A127-A131 PolarHBondContact O-N 3.32Å; A127-V215 HydrophobicContact CB-CG2 4.31Å
128W88.9Confident83.3Confident6 Ų645.2 Ų45.22%0.02328%0.278CS..Hα-helixtrans-66.8-46.4174.2-172.6-136.1000112.5V21 P124 H125 I126 A130 A131 C132 M140 L208 Y212 V215 F401V21-W128 PolarHBondContact O-NE1 2.91Å; P124-W128 PolarHBondContact O-N 3.34Å; H125-W128 WeakPolarHBondContact O-CB 3.49Å; H125-W128 PolarHBondContact O-N 2.96Å; H125-W128 VanDerWaalsContact O-N 3.15Å; I126-W128 VanDerWaalsContact C-N 3.28Å; I126-W128 PolarHBondContact O-N 3.29Å; W128-A130 PolarHBondContact O-N 3.36Å; W128-A131 HydrophobicContact CE3-CB 4.26Å; W128-A131 PolarHBondContact O-N 3.02Å; W128-C132 PolarHBondContact O-N 3.2Å; W128-C132 PolarHBondContact O-SG 3.32Å; W128-M140 HydrophobicContact CH2-CE 3.87Å; W128-M140 HydrophobicContact CZ2-CE 3.12Å; W128-M140 HydrophobicContact CZ2-SD 4.4Å; W128-L208 HydrophobicContact CH2-CD1 4.19Å; W128-Y212 HydrophobicContact CD2-CD2 4.17Å; W128-Y212 AromaticContact CE2-CD2 3.85Å; W128-Y212 HydrophobicContact CE3-CD2 4.01Å; W128-Y212 AromaticContact CH2-CD2 3.31Å; W128-Y212 HydrophobicContact CH2-CD2 3.31Å; W128-Y212 HydrophobicContact CH2-CE2 4.27Å; W128-Y212 AromaticContact CH2-CG 3.81Å; W128-Y212 HydrophobicContact CH2-CG 3.81Å; W128-Y212 AromaticContact CZ2-CD2 3.37Å; W128-Y212 HydrophobicContact CZ2-CD2 3.37Å; W128-Y212 AromaticContact CZ2-CE2 3.88Å; W128-Y212 HydrophobicContact CZ2-CE2 3.88Å; W128-Y212 HydrophobicContact CZ2-CG 4.24Å; W128-Y212 AromaticContact CZ3-CD2 3.64Å; W128-Y212 HydrophobicContact CZ3-CD2 3.64Å; W128-Y212 HydrophobicContact CZ3-CG 4.12Å; W128-V215 HydrophobicContact CB-CG1 4.1Å; W128-V215 HydrophobicContact CB-CG2 4.45Å; W128-V215 HydrophobicContact CE3-CG2 4.12Å; W128-F401 HydrophobicContact CH2-CE1 4.2Å; W128-F401 HydrophobicContact CH2-CZ 4.14Å; W128-F401 HydrophobicContact CZ2-CZ 4.38Å
129Q84.5Confident82.4Confident72 Ų7248.1 Ų48.134%0.33629%0.292SS..Hα-helixtrans-59.4-46.6176.8-73-179.7-24.200111.6H125 I126 A131 C132 A133 F141H125-Q129 PolarHBondContact NE2-NE2 3.34Å; H125-Q129 WeakPolarHBondContact O-CG 3.31Å; H125-Q129 PolarHBondContact O-N 2.86Å; I126-Q129 PolarHBondContact O-N 3.47Å; Q129-A131 PolarHBondContact O-N 3.41Å; Q129-C132 PolarHBondContact O-N 3.46Å; Q129-A133 WeakPolarHBondContact O-CB 3.43Å; Q129-A133 PolarHBondContact O-N 3.4Å; Q129-F141 HydrophobicContact CB-CE2 4.4Å; Q129-F141 HydrophobicContact CG-CE2 3.77Å; Q129-F141 HydrophobicContact CG-CZ 3.6Å
130A83.3Confident82Confident48 Ų4843 Ų4340%0.39727%0.266SS..Hα-helixtrans-62.1-41.817600000111.7I126 W128 C132 A133 C134I126-A130 WeakPolarHBondContact O-CB 3.46Å; I126-A130 PolarHBondContact O-N 3.08Å; W128-A130 PolarHBondContact O-N 3.36Å; A130-C132 VanDerWaalsContact C-N 3.34Å; A130-C132 PolarHBondContact O-N 2.92Å; A130-A133 PolarHBondContact O-N 3.32Å; A130-C134 VanDerWaalsContact O-CB 3.3Å; A130-C134 WeakPolarHBondContact O-CB 3.39Å; A130-C134 PolarHBondContact O-N 2.91Å; A130-C134 PolarHBondContact O-SG 3.4Å; A130-C134 VanDerWaalsContact O-SG 3.37Å
131A83.3Confident81.5Confident18 Ų1842.9 Ų42.915%0.14926%0.264CS..Hα-helixtrans-63.2-39.417600000112.1A127 W128 Q129 R135A127-A131 VanDerWaalsContact O-CB 3.26Å; A127-A131 WeakPolarHBondContact O-CB 3.44Å; A127-A131 PolarHBondContact O-N 3.32Å; W128-A131 HydrophobicContact CE3-CB 4.26Å; W128-A131 PolarHBondContact O-N 3.02Å; Q129-A131 PolarHBondContact O-N 3.41Å; A131-R135 WeakPolarHBondContact O-CB 3.19Å; A131-R135 PolarHBondContact O-N 3.28Å
132C82.7Confident81.1Confident0 Ų045 Ų450%028%0.278CS..Hα-helixtrans-66.2-50.3175.7-63.90000111.1W128 Q129 A130 R135 S136 M140 F141W128-C132 PolarHBondContact O-N 3.2Å; W128-C132 PolarHBondContact O-SG 3.32Å; Q129-C132 PolarHBondContact O-N 3.46Å; A130-C132 VanDerWaalsContact C-N 3.34Å; A130-C132 PolarHBondContact O-N 2.92Å; C132-R135 PolarHBondContact O-N 3.06Å; C132-S136 WeakPolarHBondContact O-CB 3.47Å; C132-S136 PolarHBondContact O-N 3.23Å; C132-M140 WeakPolarHBondContact SG-CE 3.08Å; C132-F141 HydrophobicContact CB-CE2 4.31Å
133A77.4Confident80.9Confident72 Ų7240.6 Ų40.660%0.59526%0.261SS*.Hα-helixtrans-64.3-48.1-177.200000112.8Q129 A130 R135Q129-A133 WeakPolarHBondContact O-CB 3.43Å; Q129-A133 PolarHBondContact O-N 3.4Å; A130-A133 PolarHBondContact O-N 3.32Å; A133-R135 VanDerWaalsContact C-N 3.33Å; A133-R135 PolarHBondContact O-N 3.42Å
134C72.6Confident80.8Confident119 Ų11937 Ų3780%0.80424%0.243SC*.Hα-helixtrans-74.9-24.6-177.2-65.20000113.1A130A130-C134 VanDerWaalsContact O-CB 3.3Å; A130-C134 WeakPolarHBondContact O-CB 3.39Å; A130-C134 PolarHBondContact O-N 2.91Å; A130-C134 PolarHBondContact O-SG 3.4Å; A130-C134 VanDerWaalsContact O-SG 3.37Å
135R65.9Low80.6Confident61 Ų6142.2 Ų42.223%0.2327%0.266CS..Hα-helixtrans-121.2-27.5-162.7-151.614662.964.6-47.9115.7A131 C132 A133 G137 H176 N207 S211A131-R135 WeakPolarHBondContact O-CB 3.19Å; A131-R135 PolarHBondContact O-N 3.28Å; C132-R135 PolarHBondContact O-N 3.06Å; A133-R135 VanDerWaalsContact C-N 3.33Å; A133-R135 PolarHBondContact O-N 3.42Å; R135-G137 VanDerWaalsContact C-N 3.34Å; R135-H176 PolarHBondContact O-NE2 3.02Å; R135-N207 VanDerWaalsContact CD-ND2 3.3Å; R135-N207 WeakPolarHBondContact CD-ND2 3.36Å; R135-N207 WeakPolarHBondContact CG-ND2 3.36Å; R135-N207 PolarHBondContact NH1-O 2.76Å; R135-N207 PolarHBondContact NH1-OD1 3.45Å; R135-N207 VanDerWaalsContact NH1-OD1 3.17Å; R135-N207 PolarHBondContact NH2-O 3.05Å; R135-N207 PolarHBondContact NH2-OD1 2.99Å; R135-S211 PolarHBondContact NH1-OG 3.35Å; R135-S211 PolarHBondContact NH2-OG 3.36Å
136S65.3Low80.7Confident2 Ų244 Ų441%0.01428%0.28CS..SBendtrans-84.6-7.2-177.7-159.60000113.7C132 G138 M172 H176C132-S136 WeakPolarHBondContact O-CB 3.47Å; C132-S136 PolarHBondContact O-N 3.23Å; S136-G138 PolarHBondContact O-N 3.48Å; S136-M172 WeakPolarHBondContact OG-CE 3.24Å; S136-H176 PolarHBondContact O-CE1 2.92Å
137G62.9Low80.9Confident69 Ų6940.1 Ų40.171%0.71126%0.26SS*.SBendtrans69.7-16.5-17700000114.8R135R135-G137 VanDerWaalsContact C-N 3.34Å
138G69.1Low80.9Confident17 Ų1739 Ų3918%0.17525%0.251CS..SBendtrans-143.3160.1175.100000111.3S136 M140S136-G138 PolarHBondContact O-N 3.48Å; G138-M140 PolarHBondContact O-N 2.99Å
139D77.3Confident80.8Confident75 Ų7542.6 Ų42.640%0.40127%0.271SS..  trans-75.1105.9178.7-179.722.4000110.8F141 S142 L143D139-F141 PolarHBondContact O-N 3.38Å; D139-F141 VanDerWaalsContact OD1-CB 3.29Å; D139-F141 WeakPolarHBondContact OD1-CB 3.13Å; D139-F141 VanDerWaalsContact OD1-CD2 3.29Å; D139-F141 WeakPolarHBondContact OD1-CD2 3.34Å; D139-F141 PolarHBondContact OD1-N 2.83Å; D139-S142 PolarHBondContact O-N 2.92Å; D139-S142 PolarHBondContact O-OG 3.47Å; D139-S142 WeakPolarHBondContact OD2-CB 3.43Å; D139-S142 PolarHBondContact OD2-N 3.07Å; D139-L143 PolarHBondContact O-N 3.27Å; D139-L143 VanDerWaalsContact O-N 3.15Å
140M83.1Confident81.1Confident1 Ų139.2 Ų39.21%0.00526%0.255CS..Hα-helixtrans-63.7-25.3176.2-169.817658.700111.7V21 W128 C132 G138 L143 V144 M172 L208V21-M140 HydrophobicContact CB-CE 3.68Å; V21-M140 HydrophobicContact CB-CG 4.43Å; V21-M140 HydrophobicContact CG1-CE 3.21Å; V21-M140 HydrophobicContact CG1-CG 3.87Å; V21-M140 HydrophobicContact CG1-SD 3.69Å; V21-M140 HydrophobicContact CG2-CB 4.33Å; V21-M140 HydrophobicContact CG2-CE 4.13Å; V21-M140 HydrophobicContact CG2-CG 3.99Å; V21-M140 WeakPolarHBondContact CG2-O 3.29Å; W128-M140 HydrophobicContact CH2-CE 3.87Å; W128-M140 HydrophobicContact CZ2-CE 3.12Å; W128-M140 HydrophobicContact CZ2-SD 4.4Å; C132-M140 WeakPolarHBondContact SG-CE 3.08Å; G138-M140 PolarHBondContact O-N 2.99Å; M140-L143 WeakPolarHBondContact O-CB 3.32Å; M140-L143 PolarHBondContact O-N 3.29Å; M140-V144 PolarHBondContact O-N 3.29Å; M140-V144 VanDerWaalsContact O-N 3.13Å; M140-M172 HydrophobicContact CB-CE 4.48Å; M140-L208 HydrophobicContact SD-CD2 4.3Å
141F84.8Confident81.2Confident35 Ų3538.8 Ų38.815%0.15425%0.251CS..Hα-helixtrans-68.4-43.8174.9-63.3-93000110.9V21 Q129 C132 D139 L143 V144 K145V21-F141 HydrophobicContact CB-CD1 4.31Å; V21-F141 HydrophobicContact CB-CE1 4.18Å; V21-F141 HydrophobicContact CG2-CB 4.23Å; V21-F141 HydrophobicContact CG2-CD1 3.66Å; V21-F141 HydrophobicContact CG2-CD2 4.34Å; V21-F141 HydrophobicContact CG2-CE1 4.01Å; V21-F141 HydrophobicContact CG2-CG 3.82Å; V21-F141 HydrophobicContact CG2-CZ 4.48Å; Q129-F141 HydrophobicContact CB-CE2 4.4Å; Q129-F141 HydrophobicContact CG-CE2 3.77Å; Q129-F141 HydrophobicContact CG-CZ 3.6Å; C132-F141 HydrophobicContact CB-CE2 4.31Å; D139-F141 PolarHBondContact O-N 3.38Å; D139-F141 VanDerWaalsContact OD1-CB 3.29Å; D139-F141 WeakPolarHBondContact OD1-CB 3.13Å; D139-F141 VanDerWaalsContact OD1-CD2 3.29Å; D139-F141 WeakPolarHBondContact OD1-CD2 3.34Å; D139-F141 PolarHBondContact OD1-N 2.83Å; F141-L143 VanDerWaalsContact C-N 3.3Å; F141-L143 PolarHBondContact O-N 2.88Å; F141-V144 PolarHBondContact O-N 3.4Å; F141-K145 VanDerWaalsContact O-CB 3.31Å; F141-K145 WeakPolarHBondContact O-CB 3.34Å; F141-K145 PolarHBondContact O-N 3.38Å
142S84.8Confident81.4Confident43 Ų4344 Ų4430%0.30128%0.275SS..Hα-helixtrans-63.3-34.6174.2750000112.8D139 S146D139-S142 PolarHBondContact O-N 2.92Å; D139-S142 PolarHBondContact O-OG 3.47Å; D139-S142 WeakPolarHBondContact OD2-CB 3.43Å; D139-S142 PolarHBondContact OD2-N 3.07Å; S142-S146 VanDerWaalsContact O-CB 3.24Å; S142-S146 WeakPolarHBondContact O-CB 3.46Å; S142-S146 PolarHBondContact O-N 3.19Å; S142-S146 PolarHBondContact O-OG 2.88Å
143L88.6Confident81.7Confident1 Ų147.6 Ų47.61%0.00529%0.294CS..Hα-helixtrans-60.6-54.4173.7176.467.7000111.3D139 M140 F141 K145 S146 A147 V165 F168 I169 M172 I402D139-L143 PolarHBondContact O-N 3.27Å; D139-L143 VanDerWaalsContact O-N 3.15Å; M140-L143 WeakPolarHBondContact O-CB 3.32Å; M140-L143 PolarHBondContact O-N 3.29Å; F141-L143 VanDerWaalsContact C-N 3.3Å; F141-L143 PolarHBondContact O-N 2.88Å; L143-K145 VanDerWaalsContact C-N 3.33Å; L143-K145 PolarHBondContact O-N 3.37Å; L143-S146 PolarHBondContact O-N 2.9Å; L143-A147 PolarHBondContact O-N 3.48Å; L143-V165 HydrophobicContact CD1-CG1 3.72Å; L143-F168 HydrophobicContact CB-CD1 3.8Å; L143-F168 HydrophobicContact CB-CE1 3.73Å; L143-F168 HydrophobicContact CD1-CB 4.46Å; L143-F168 HydrophobicContact CD1-CD1 3.6Å; L143-F168 HydrophobicContact CD1-CE1 4.41Å; L143-F168 HydrophobicContact CD1-CG 4.48Å; L143-F168 HydrophobicContact CG-CD1 4.22Å; L143-I169 HydrophobicContact CD1-CD1 4.21Å; L143-I169 HydrophobicContact CD1-CG1 3.69Å; L143-I169 HydrophobicContact CD2-CG1 4Å; L143-M172 HydrophobicContact CD2-SD 4.01Å; L143-I402 HydrophobicContact CD2-CG2 3.37Å
144V88.7Confident82.3Confident2 Ų247.1 Ų47.11%0.01229%0.286CS..Hα-helixtrans-65.1-39.3-177.7171.60000111.1V21 M140 F141 A147 A148 L406 N409 S410V21-V144 HydrophobicContact CB-CG2 4.48Å; V21-V144 HydrophobicContact CG1-CG2 4.09Å; V21-V144 HydrophobicContact CG2-CB 4.12Å; V21-V144 HydrophobicContact CG2-CG2 3.79Å; M140-V144 PolarHBondContact O-N 3.29Å; M140-V144 VanDerWaalsContact O-N 3.13Å; F141-V144 PolarHBondContact O-N 3.4Å; V144-A147 PolarHBondContact O-N 3.4Å; V144-A148 WeakPolarHBondContact O-CB 3.16Å; V144-A148 PolarHBondContact O-N 2.92Å; V144-L406 HydrophobicContact CB-CD1 4.48Å; V144-L406 HydrophobicContact CG2-CD1 4.01Å; V144-N409 HydrophobicContact CG1-CB 3.5Å; V144-N409 VanDerWaalsContact CG1-CB 3.5Å; V144-S410 PolarHBondContact O-OG 3.15Å
145K87.2Confident83Confident113 Ų11350.3 Ų50.349%0.49128%0.282SS..Hα-helixtrans-60.4-48.8174-175.5177.5179-1790111.3F141 L143 A147 A148 D149F141-K145 VanDerWaalsContact O-CB 3.31Å; F141-K145 WeakPolarHBondContact O-CB 3.34Å; F141-K145 PolarHBondContact O-N 3.38Å; L143-K145 VanDerWaalsContact C-N 3.33Å; L143-K145 PolarHBondContact O-N 3.37Å; K145-A147 VanDerWaalsContact C-N 3.29Å; K145-A147 PolarHBondContact O-N 3.28Å; K145-A148 PolarHBondContact O-N 3.24Å; K145-A148 VanDerWaalsContact O-N 3.11Å; K145-D149 WeakPolarHBondContact O-CB 3.46Å; K145-D149 VanDerWaalsContact O-CG 3.24Å; K145-D149 PolarHBondContact O-N 3.38Å
146S89.6Confident84.2Confident56 Ų5654.6 Ų54.639%0.39230%0.304SS..Hα-helixtrans-61.3-37.3179.4-62.10000112.3S142 L143 A150S142-S146 VanDerWaalsContact O-CB 3.24Å; S142-S146 WeakPolarHBondContact O-CB 3.46Å; S142-S146 PolarHBondContact O-N 3.19Å; S142-S146 PolarHBondContact O-OG 2.88Å; L143-S146 PolarHBondContact O-N 2.9Å; S146-A150 WeakPolarHBondContact O-CB 3.37Å; S146-A150 PolarHBondContact O-N 3.31Å
147A90.6Very high85.4Confident0 Ų058.1 Ų58.10%032%0.323CS..Hα-helixtrans-72.7-35174.400000113.4L143 V144 K145 A150 A151 V165 L406 S410 I418L143-A147 PolarHBondContact O-N 3.48Å; V144-A147 PolarHBondContact O-N 3.4Å; K145-A147 VanDerWaalsContact C-N 3.29Å; K145-A147 PolarHBondContact O-N 3.28Å; A147-A150 PolarHBondContact O-N 3.43Å; A147-A151 PolarHBondContact O-N 2.9Å; A147-V165 HydrophobicContact CB-CG1 4.3Å; A147-L406 HydrophobicContact CB-CD1 3.4Å; A147-L406 VanDerWaalsContact CB-CD1 3.4Å; A147-L406 HydrophobicContact CB-CD2 4.18Å; A147-L406 HydrophobicContact CB-CG 4.06Å; A147-S410 WeakPolarHBondContact CB-OG 3.36Å; A147-I418 HydrophobicContact CB-CD1 4.29Å
148A88.2Confident86.8Confident9 Ų957.5 Ų57.57%0.07430%0.299CS..Hα-helixtrans-67.9-40.8173.800000111.5V144 K145 A150 A151V144-A148 WeakPolarHBondContact O-CB 3.16Å; V144-A148 PolarHBondContact O-N 2.92Å; K145-A148 PolarHBondContact O-N 3.24Å; K145-A148 VanDerWaalsContact O-N 3.11Å; A148-A150 VanDerWaalsContact C-N 3.33Å; A148-A151 WeakPolarHBondContact O-CB 3.34Å; A148-A151 PolarHBondContact O-N 3.45Å; A148-A151 VanDerWaalsContact O-N 3.12Å
149D88.1Confident87.9Confident82 Ų8262.5 Ų62.544%0.43932%0.318SS..Hα-helixtrans-65-39.2175.4-67.5-20000110.6K145 A151 I152K145-D149 WeakPolarHBondContact O-CB 3.46Å; K145-D149 VanDerWaalsContact O-CG 3.24Å; K145-D149 PolarHBondContact O-N 3.38Å; D149-A151 PolarHBondContact O-N 2.84Å; D149-A151 VanDerWaalsContact O-N 3.15Å; D149-I152 PolarHBondContact O-N 3.41Å; D149-I152 VanDerWaalsContact O-N 3.09Å
150A89.6Confident88.7Confident1 Ų165.4 Ų65.41%0.00833%0.327CS..Hα-helixtrans-58.7-26173.400000113.3S146 A147 A148 I152 R158 A161S146-A150 WeakPolarHBondContact O-CB 3.37Å; S146-A150 PolarHBondContact O-N 3.31Å; A147-A150 PolarHBondContact O-N 3.43Å; A148-A150 VanDerWaalsContact C-N 3.33Å; A150-I152 PolarHBondContact O-N 3.49Å; A150-R158 WeakPolarHBondContact O-CD 3.38Å; A150-R158 WeakPolarHBondContact O-CG 3.23Å; A150-A161 HydrophobicContact CB-CB 3.78Å
151A86Confident89.1Confident38 Ų3865.8 Ų65.831%0.31433%0.33SS..THydrogen-bonded Turntrans-68.1-24178.200000113.8A147 A148 D149 I414A147-A151 PolarHBondContact O-N 2.9Å; A148-A151 WeakPolarHBondContact O-CB 3.34Å; A148-A151 PolarHBondContact O-N 3.45Å; A148-A151 VanDerWaalsContact O-N 3.12Å; D149-A151 PolarHBondContact O-N 2.84Å; D149-A151 VanDerWaalsContact O-N 3.15Å; A151-I414 HydrophobicContact CB-CD1 4.24Å; A151-I414 HydrophobicContact CB-CG1 3.7Å
152I86.9Confident89.6Confident127 Ų12764.4 Ų64.465%0.65132%0.324SS*.THydrogen-bonded Turntrans-99-15.3-172.8-52171.8000111.1D149 A150D149-I152 PolarHBondContact O-N 3.41Å; D149-I152 VanDerWaalsContact O-N 3.09Å; A150-I152 PolarHBondContact O-N 3.49Å
153L90Very high90Very high77 Ų7763.4 Ų63.440%0.40332%0.319SS..SBendtrans-70.5160.4-177.4-68.9174.3000113.8D157 R158 A161L153-D157 HydrophobicContact CB-CB 4.25Å; L153-D157 HydrophobicContact CD1-CB 4.39Å; L153-R158 HydrophobicContact CB-CB 4.26Å; L153-A161 HydrophobicContact CD1-CB 3.74Å
154S90.3Very high90.2Very high61 Ų6171.3 Ų71.343%0.42735%0.349SS..  trans-58.4159.5169.183.80000111E156 D157 R158S154-E156 VanDerWaalsContact C-N 3.33Å; S154-E156 PolarHBondContact O-N 3Å; S154-D157 PolarHBondContact O-N 2.9Å; S154-D157 WeakPolarHBondContact OG-CB 3.27Å; S154-D157 VanDerWaalsContact OG-CG 3.31Å; S154-D157 PolarHBondContact OG-N 3.2Å; S154-D157 PolarHBondContact OG-OD2 3Å; S154-R158 WeakPolarHBondContact O-CB 3.5Å; S154-R158 PolarHBondContact O-N 2.81Å
155R87.3Confident90.5Very high187 Ų18771.5 Ų71.571%0.70635%0.35SS*.Hα-helixtrans-60.2-39.6-174.9-170.5177.2-178-175.7-0.3113.5Q159R155-Q159 PolarHBondContact O-N 3.46Å
156E89.4Confident90.8Very high150 Ų15066.1 Ų66.170%0.70133%0.326SS*.Hα-helixtrans-72.5-44.5-179.6-65.2-178.8-173.700111.6S154 R158 Q159S154-E156 VanDerWaalsContact C-N 3.33Å; S154-E156 PolarHBondContact O-N 3Å; E156-R158 VanDerWaalsContact C-N 3.31Å; E156-R158 PolarHBondContact O-N 3.28Å; E156-Q159 PolarHBondContact O-N 3.48Å
157D91.9Very high90.8Very high77 Ų7768.8 Ų68.841%0.41233%0.333SS..Hα-helixtrans-69.5-33.3178.1-62-43.4000111.7L153 S154 Q159 K160 A161L153-D157 HydrophobicContact CB-CB 4.25Å; L153-D157 HydrophobicContact CD1-CB 4.39Å; S154-D157 PolarHBondContact O-N 2.9Å; S154-D157 WeakPolarHBondContact OG-CB 3.27Å; S154-D157 VanDerWaalsContact OG-CG 3.31Å; S154-D157 PolarHBondContact OG-N 3.2Å; S154-D157 PolarHBondContact OG-OD2 3Å; D157-Q159 PolarHBondContact O-N 2.93Å; D157-K160 PolarHBondContact O-N 3.47Å; D157-A161 WeakPolarHBondContact O-CB 3.43Å; D157-A161 PolarHBondContact O-N 3.28Å
158R92.3Very high90.8Very high56 Ų5671.6 Ų71.621%0.21135%0.345CS..Hα-helixtrans-61.3-42.6175.8-178.1172.391.9-153.32.1112A150 L153 S154 E156 K160 A161 V162 I414 E417A150-R158 WeakPolarHBondContact O-CD 3.38Å; A150-R158 WeakPolarHBondContact O-CG 3.23Å; L153-R158 HydrophobicContact CB-CB 4.26Å; S154-R158 WeakPolarHBondContact O-CB 3.5Å; S154-R158 PolarHBondContact O-N 2.81Å; E156-R158 VanDerWaalsContact C-N 3.31Å; E156-R158 PolarHBondContact O-N 3.28Å; R158-K160 VanDerWaalsContact C-N 3.34Å; R158-K160 PolarHBondContact O-N 2.92Å; R158-A161 PolarHBondContact O-N 2.96Å; R158-V162 HydrophobicContact CG-CG2 4.22Å; R158-V162 WeakPolarHBondContact O-CB 3.45Å; R158-V162 VanDerWaalsContact O-CG2 3.27Å; R158-V162 WeakPolarHBondContact O-CG2 3.35Å; R158-V162 PolarHBondContact O-N 3.36Å; R158-I414 HydrophobicContact CG-CD1 4.19Å; R158-E417 IonicContact CZ-OE1 3.45Å; R158-E417 IonicContact CZ-OE2 3.61Å; R158-E417 IonicContact NE-OE1 3.51Å; R158-E417 IonicContact NE-OE2 2.85Å; R158-E417 PolarHBondContact NE-OE2 3.03Å; R158-E417 IonicContact NH2-OE1 2.75Å; R158-E417 PolarHBondContact NH2-OE1 3.44Å; R158-E417 IonicContact NH2-OE2 3.6Å
159Q91.5Very high90.9Very high121 Ų12171.1 Ų71.157%0.56534%0.341SS*.Hα-helixtrans-60.5-44.8177-75.2178.8-24.300111.5R155 E156 D157 A161 V162 A163R155-Q159 PolarHBondContact O-N 3.46Å; E156-Q159 PolarHBondContact O-N 3.48Å; D157-Q159 PolarHBondContact O-N 2.93Å; Q159-A161 VanDerWaalsContact C-N 3.34Å; Q159-A161 PolarHBondContact O-N 2.92Å; Q159-V162 PolarHBondContact O-N 3.25Å; Q159-A163 PolarHBondContact O-N 2.96Å
160K93.3Very high91Very high137 Ų13768.9 Ų68.960%0.59633%0.328SS*.Hα-helixtrans-63.4-39.2175.6-64.2175.2-175165.50112.2D157 R158 R164D157-K160 PolarHBondContact O-N 3.47Å; R158-K160 VanDerWaalsContact C-N 3.34Å; R158-K160 PolarHBondContact O-N 2.92Å; K160-R164 PolarHBondContact O-N 3.41Å; K160-R164 VanDerWaalsContact O-N 3.11Å
161A93.1Very high90.8Very high9 Ų973.9 Ų73.97%0.07436%0.355CS..Hα-helixtrans-67.7-41.2176.900000111.9A150 L153 D157 R158 Q159 R164 V165A150-A161 HydrophobicContact CB-CB 3.78Å; L153-A161 HydrophobicContact CD1-CB 3.74Å; D157-A161 WeakPolarHBondContact O-CB 3.43Å; D157-A161 PolarHBondContact O-N 3.28Å; R158-A161 PolarHBondContact O-N 2.96Å; Q159-A161 VanDerWaalsContact C-N 3.34Å; Q159-A161 PolarHBondContact O-N 2.92Å; A161-R164 PolarHBondContact O-N 3.49Å; A161-V165 VanDerWaalsContact O-CG2 3.26Å; A161-V165 WeakPolarHBondContact O-CG2 3.49Å; A161-V165 PolarHBondContact O-N 3.36Å
162V94.1Very high90.7Very high5 Ų572.3 Ų72.33%0.0334%0.341CS..Hα-helixtrans-62.1-44.9175.2164.60000111.1R158 Q159 R164 V165 A166 I414 E417 I418 E421R158-V162 HydrophobicContact CG-CG2 4.22Å; R158-V162 WeakPolarHBondContact O-CB 3.45Å; R158-V162 VanDerWaalsContact O-CG2 3.27Å; R158-V162 WeakPolarHBondContact O-CG2 3.35Å; R158-V162 PolarHBondContact O-N 3.36Å; Q159-V162 PolarHBondContact O-N 3.25Å; V162-R164 PolarHBondContact O-N 3.39Å; V162-V165 PolarHBondContact O-N 2.84Å; V162-A166 PolarHBondContact O-N 3.46Å; V162-I414 HydrophobicContact CG2-CG2 4.47Å; V162-E417 HydrophobicContact CG1-CB 4.06Å; V162-E417 HydrophobicContact CG2-CB 4.18Å; V162-I418 HydrophobicContact CB-CG1 4.42Å; V162-I418 HydrophobicContact CG1-CB 4.46Å; V162-I418 HydrophobicContact CG1-CG1 3.79Å; V162-I418 HydrophobicContact CG2-CG1 4.29Å; V162-E421 HydrophobicContact CG1-CB 4.24Å
163A94Very high90.4Very high23 Ų2367.3 Ų67.319%0.1932%0.315CS..Hα-helixtrans-58.2-47.8175.200000111.6Q159 V165 A166 E167Q159-A163 PolarHBondContact O-N 2.96Å; A163-V165 VanDerWaalsContact C-N 3.29Å; A163-V165 PolarHBondContact O-N 2.92Å; A163-A166 WeakPolarHBondContact O-CB 3.5Å; A163-A166 PolarHBondContact O-N 2.87Å; A163-A166 VanDerWaalsContact O-N 3.13Å; A163-E167 WeakPolarHBondContact O-CG 3.25Å; A163-E167 PolarHBondContact O-N 2.92Å
164R93.1Very high89.7Confident167 Ų16765.2 Ų65.263%0.6331%0.313SS*.Hα-helixtrans-59.7-38.2175.5-169-172.2-57.6141.93.9112.9K160 A161 V162 F168K160-R164 PolarHBondContact O-N 3.41Å; K160-R164 VanDerWaalsContact O-N 3.11Å; A161-R164 PolarHBondContact O-N 3.49Å; V162-R164 PolarHBondContact O-N 3.39Å; R164-F168 WeakPolarHBondContact O-CB 3.49Å; R164-F168 PolarHBondContact O-N 3.4Å
165V93.3Very high88.8Confident5 Ų569.6 Ų69.63%0.0333%0.328CS..Hα-helixtrans-69.4-38.9176.9170.40000111.1L143 A147 A161 V162 A163 F168 I169 I418L143-V165 HydrophobicContact CD1-CG1 3.72Å; A147-V165 HydrophobicContact CB-CG1 4.3Å; A161-V165 VanDerWaalsContact O-CG2 3.26Å; A161-V165 WeakPolarHBondContact O-CG2 3.49Å; A161-V165 PolarHBondContact O-N 3.36Å; V162-V165 PolarHBondContact O-N 2.84Å; A163-V165 VanDerWaalsContact C-N 3.29Å; A163-V165 PolarHBondContact O-N 2.92Å; V165-F168 PolarHBondContact O-N 3.01Å; V165-I169 HydrophobicContact CG1-CD1 4.27Å; V165-I169 WeakPolarHBondContact O-CG1 3.3Å; V165-I169 PolarHBondContact O-N 3.21Å; V165-I418 HydrophobicContact CB-CD1 4.32Å; V165-I418 HydrophobicContact CG1-CD1 3.54Å; V165-I418 HydrophobicContact CG1-CG1 4.13Å; V165-I418 HydrophobicContact CG1-CG2 4.45Å
166A93.4Very high87.8Confident0 Ų062.4 Ų62.40%030%0.303CS..Hα-helixtrans-64.2-46.6175.100000111.5V162 A163 F168 I169 E170 E421 L422V162-A166 PolarHBondContact O-N 3.46Å; A163-A166 WeakPolarHBondContact O-CB 3.5Å; A163-A166 PolarHBondContact O-N 2.87Å; A163-A166 VanDerWaalsContact O-N 3.13Å; A166-F168 VanDerWaalsContact C-N 3.32Å; A166-F168 PolarHBondContact O-N 3Å; A166-I169 WeakPolarHBondContact O-CB 3.37Å; A166-I169 PolarHBondContact O-N 3.21Å; A166-I169 VanDerWaalsContact O-N 3.14Å; A166-E170 WeakPolarHBondContact O-CG 3.3Å; A166-E170 PolarHBondContact O-N 3.36Å; A166-E421 HydrophobicContact CB-CB 4.07Å; A166-E421 HydrophobicContact CB-CG 3.87Å; A166-L422 HydrophobicContact CB-CD2 3.9Å; A166-L422 HydrophobicContact CB-CG 4.04Å
167E91.4Very high86.5Confident112 Ų11260 Ų6052%0.52329%0.29SS..Hα-helixtrans-55.9-45.4172.7-72.1173.417900111.3A163 I169 E170 D171A163-E167 WeakPolarHBondContact O-CG 3.25Å; A163-E167 PolarHBondContact O-N 2.92Å; E167-I169 VanDerWaalsContact C-N 3.32Å; E167-I169 PolarHBondContact O-N 3.39Å; E167-E170 WeakPolarHBondContact O-CB 3.28Å; E167-E170 PolarHBondContact O-N 3.18Å; E167-E170 VanDerWaalsContact O-N 3.1Å; E167-D171 PolarHBondContact O-N 3.37Å
168F90.4Very high84.8Confident59 Ų5960.5 Ų60.526%0.25929%0.29SS..Hα-helixtrans-63.2-36.8178.2-168.3-128.5000112.7L143 R164 V165 A166 M172L143-F168 HydrophobicContact CB-CD1 3.8Å; L143-F168 HydrophobicContact CB-CE1 3.73Å; L143-F168 HydrophobicContact CD1-CB 4.46Å; L143-F168 HydrophobicContact CD1-CD1 3.6Å; L143-F168 HydrophobicContact CD1-CE1 4.41Å; L143-F168 HydrophobicContact CD1-CG 4.48Å; L143-F168 HydrophobicContact CG-CD1 4.22Å; R164-F168 WeakPolarHBondContact O-CB 3.49Å; R164-F168 PolarHBondContact O-N 3.4Å; V165-F168 PolarHBondContact O-N 3.01Å; A166-F168 VanDerWaalsContact C-N 3.32Å; A166-F168 PolarHBondContact O-N 3Å; F168-M172 HydrophobicContact CD1-SD 4.13Å; F168-M172 HydrophobicContact CE1-SD 3.88Å; F168-M172 HydrophobicContact CZ-SD 4.27Å; F168-M172 WeakPolarHBondContact O-CB 3.29Å; F168-M172 VanDerWaalsContact O-CG 3.23Å; F168-M172 WeakPolarHBondContact O-CG 3.21Å; F168-M172 PolarHBondContact O-N 3.35Å
169I90.3Very high82.6Confident0 Ų062.9 Ų62.90%031%0.314CS..Hα-helixtrans-65.8-40.8173.6-69.2168.2000110.8L143 V165 A166 E167 M172 I173 I402 I418 L422L143-I169 HydrophobicContact CD1-CD1 4.21Å; L143-I169 HydrophobicContact CD1-CG1 3.69Å; L143-I169 HydrophobicContact CD2-CG1 4Å; V165-I169 HydrophobicContact CG1-CD1 4.27Å; V165-I169 WeakPolarHBondContact O-CG1 3.3Å; V165-I169 PolarHBondContact O-N 3.21Å; A166-I169 WeakPolarHBondContact O-CB 3.37Å; A166-I169 PolarHBondContact O-N 3.21Å; A166-I169 VanDerWaalsContact O-N 3.14Å; E167-I169 VanDerWaalsContact C-N 3.32Å; E167-I169 PolarHBondContact O-N 3.39Å; I169-M172 PolarHBondContact O-N 2.97Å; I169-I173 HydrophobicContact CG2-CD1 3.64Å; I169-I173 HydrophobicContact CG2-CG1 4.36Å; I169-I173 VanDerWaalsContact O-CG1 3.25Å; I169-I173 WeakPolarHBondContact O-CG1 3.36Å; I169-I173 PolarHBondContact O-N 3.29Å; I169-I402 HydrophobicContact CG1-CG2 4.32Å; I169-I418 HydrophobicContact CD1-CG2 3.73Å; I169-L422 HydrophobicContact CB-CD2 4.39Å; I169-L422 HydrophobicContact CD1-CD1 4.35Å; I169-L422 HydrophobicContact CG2-CD1 4.19Å; I169-L422 HydrophobicContact CG2-CD2 4.28Å
170E88.6Confident80.5Confident34 Ų3465.6 Ų65.616%0.15932%0.319CS..Hα-helixtrans-64.2-43.5177.4-72.9174.8176.400112A166 E167 M172 I173 G174 Y394 L422 N425A166-E170 WeakPolarHBondContact O-CG 3.3Å; A166-E170 PolarHBondContact O-N 3.36Å; E167-E170 WeakPolarHBondContact O-CB 3.28Å; E167-E170 PolarHBondContact O-N 3.18Å; E167-E170 VanDerWaalsContact O-N 3.1Å; E170-M172 PolarHBondContact O-N 3.22Å; E170-I173 PolarHBondContact O-N 3.07Å; E170-G174 WeakPolarHBondContact O-CA 3.28Å; E170-G174 PolarHBondContact O-N 3.43Å; E170-Y394 HydrophobicContact CG-CE1 4.46Å; E170-Y394 WeakPolarHBondContact CG-OH 3.28Å; E170-Y394 PolarHBondContact OE1-OH 2.88Å; E170-L422 HydrophobicContact CG-CD2 3.67Å; E170-N425 WeakPolarHBondContact OE1-CB 3.29Å; E170-N425 PolarHBondContact OE1-ND2 3.31Å; E170-N425 PolarHBondContact OE2-ND2 2.96Å
171D86.4Confident78.4Confident106 Ų10665.6 Ų65.657%0.56733%0.33SS*.Hα-helixtrans-59.6-46.2173.6-74.8-21.9000111.1E167 I173 G174 M175E167-D171 PolarHBondContact O-N 3.37Å; D171-I173 PolarHBondContact O-N 3.05Å; D171-G174 PolarHBondContact O-N 3.47Å; D171-M175 WeakPolarHBondContact O-CG 3.38Å; D171-M175 PolarHBondContact O-N 3.33Å
172M83.3Confident77Confident5 Ų567.2 Ų67.23%0.02535%0.348CS..Hα-helixtrans-59.9-43.9176.1-73.7177.478.200111.6S136 M140 L143 F168 I169 E170 H176 I402S136-M172 WeakPolarHBondContact OG-CE 3.24Å; M140-M172 HydrophobicContact CB-CE 4.48Å; L143-M172 HydrophobicContact CD2-SD 4.01Å; F168-M172 HydrophobicContact CD1-SD 4.13Å; F168-M172 HydrophobicContact CE1-SD 3.88Å; F168-M172 HydrophobicContact CZ-SD 4.27Å; F168-M172 WeakPolarHBondContact O-CB 3.29Å; F168-M172 VanDerWaalsContact O-CG 3.23Å; F168-M172 WeakPolarHBondContact O-CG 3.21Å; F168-M172 PolarHBondContact O-N 3.35Å; I169-M172 PolarHBondContact O-N 2.97Å; E170-M172 PolarHBondContact O-N 3.22Å; M172-H176 PolarHBondContact O-ND1 3.4Å; M172-I402 HydrophobicContact CE-CD1 4.13Å
173I82Confident75.2Confident22 Ų2278.1 Ų78.111%0.11339%0.389CS..Hα-helixtrans-70.4-39.2178.2-66.7166.2000111I169 E170 D171 H176 K177 L395I169-I173 HydrophobicContact CG2-CD1 3.64Å; I169-I173 HydrophobicContact CG2-CG1 4.36Å; I169-I173 VanDerWaalsContact O-CG1 3.25Å; I169-I173 WeakPolarHBondContact O-CG1 3.36Å; I169-I173 PolarHBondContact O-N 3.29Å; E170-I173 PolarHBondContact O-N 3.07Å; D171-I173 PolarHBondContact O-N 3.05Å; I173-H176 PolarHBondContact O-N 2.92Å; I173-H176 VanDerWaalsContact O-N 3.13Å; I173-K177 PolarHBondContact O-N 3.41Å; I173-L395 HydrophobicContact CD1-CD1 3.9Å
174G75.5Confident73.2Confident34 Ų3486.9 Ų86.935%0.35142%0.417SS..Hα-helixtrans-60.9-43.6-18000000112.3E170 D171 H176 K177E170-G174 WeakPolarHBondContact O-CA 3.28Å; E170-G174 PolarHBondContact O-N 3.43Å; D171-G174 PolarHBondContact O-N 3.47Å; G174-H176 PolarHBondContact O-N 2.67Å; G174-H176 VanDerWaalsContact O-N 3.16Å; G174-K177 VanDerWaalsContact O-CB 3.22Å; G174-K177 WeakPolarHBondContact O-CB 3.49Å; G174-K177 PolarHBondContact O-N 2.88Å
175M69.8Low71.3Confident152 Ų15279.4 Ų79.475%0.74939%0.391SS*.Hα-helixtrans-59.9-24.4175-72.4-639900113.9D171D171-M175 WeakPolarHBondContact O-CG 3.38Å; D171-M175 PolarHBondContact O-N 3.33Å
176H66.6Low69.7Low37 Ų3787 Ų8717%0.17142%0.424CS..THydrogen-bonded Turntrans-93.41.1177.5-65.586.7000113.6R135 S136 M172 I173 G174 E178R135-H176 PolarHBondContact O-NE2 3.02Å; S136-H176 PolarHBondContact O-CE1 2.92Å; M172-H176 PolarHBondContact O-ND1 3.4Å; I173-H176 PolarHBondContact O-N 2.92Å; I173-H176 VanDerWaalsContact O-N 3.13Å; G174-H176 PolarHBondContact O-N 2.67Å; G174-H176 VanDerWaalsContact O-N 3.16Å; H176-E178 PolarHBondContact O-N 3.42Å
177K63.3Low67.8Low98 Ų9893.7 Ų93.743%0.42646%0.459SS..  trans-79102179.5-169.3175.2177.9-168.70109.9I173 G174 C179 L452I173-K177 PolarHBondContact O-N 3.41Å; G174-K177 VanDerWaalsContact O-CB 3.22Å; G174-K177 WeakPolarHBondContact O-CB 3.49Å; G174-K177 PolarHBondContact O-N 2.88Å; K177-C179 PolarHBondContact O-N 3.47Å; K177-L452 PolarHBondContact NZ-O 3.31Å
178E55.3Low66Low89 Ų8990.8 Ų90.842%0.41645%0.448SS..  trans-63.5127.9169.4-77.4-173.4-170.900111.7H176 R203H176-E178 PolarHBondContact O-N 3.42Å; E178-R203 VanDerWaalsContact CD-CA 3.49Å; E178-R203 VanDerWaalsContact OE1-CA 3.23Å; E178-R203 WeakPolarHBondContact OE1-CA 3.33Å; E178-R203 PolarHBondContact OE1-N 3.49Å; E178-R203 VanDerWaalsContact OE1-N 3.12Å; E178-R203 WeakPolarHBondContact OE2-CG 3.33Å; E178-R203 IonicContact OE2-NE 2.74Å
179C46.5Very low64.3Low106 Ų10694 Ų9472%0.71646%0.462SS*.  trans-908.3174.9-680000115K177K177-C179 PolarHBondContact O-N 3.47Å
180R46.9Very low62.5Low177 Ų17798.4 Ų98.467%0.66849%0.489SS*.  trans-86.5116.3-175.8-161172.283.5134.2-4.9113.6
181T49Very low60.7Low137 Ų137100.2 Ų100.284%0.8451%0.51SS*.  trans-97137.6176.253.50000111.7
182G63.9Low59Low44 Ų4496 Ų9645%0.45449%0.491SS..SBendtrans170166.2176.500000115.8R184 A185 K186G182-R184 PolarHBondContact O-N 3.14Å; G182-A185 WeakPolarHBondContact O-CA 3.31Å; G182-A185 WeakPolarHBondContact O-CB 3.37Å; G182-A185 PolarHBondContact O-N 3.48Å; G182-K186 PolarHBondContact O-N 3.42Å
183R57.2Low57.4Low234 Ų234106 Ų10688%0.88353%0.528SS*.Hα-helixtrans-60.2-41.2179.9-72-175.9-172.1173.62.9112.9A185 K186 L187R183-A185 PolarHBondContact O-N 2.97Å; R183-A185 VanDerWaalsContact O-N 3.12Å; R183-K186 PolarHBondContact O-N 2.97Å; R183-K186 VanDerWaalsContact O-N 3.09Å; R183-L187 PolarHBondContact O-N 3.17Å
184R52Low55.8Low207 Ų207114.8 Ų114.878%0.78157%0.566SS**Hα-helixtrans-61.6-14.4171.1-75.1-173.6178.4-179.21.6113.4G182 T188 R203G182-R184 PolarHBondContact O-N 3.14Å; R184-T188 WeakPolarHBondContact O-CG2 3.4Å; R184-T188 PolarHBondContact O-OG1 3Å; R184-R203 PolarHBondContact O-NH1 3.41Å; R184-R203 PolarHBondContact O-NH2 3Å
185A53.6Low54.5Low10 Ų10115.5 Ų115.58%0.08357%0.573CS.*Hα-helixtrans-86-31.217300000113.6G182 R183 T188 K189G182-A185 WeakPolarHBondContact O-CA 3.31Å; G182-A185 WeakPolarHBondContact O-CB 3.37Å; G182-A185 PolarHBondContact O-N 3.48Å; R183-A185 PolarHBondContact O-N 2.97Å; R183-A185 VanDerWaalsContact O-N 3.12Å; A185-T188 PolarHBondContact O-OG1 3.06Å; A185-K189 WeakPolarHBondContact O-CG 3.25Å; A185-K189 PolarHBondContact O-N 2.84Å
186K57.8Low53.5Low164 Ų164108.6 Ų108.671%0.71354%0.541SS*.Hα-helixtrans-72.4-46.3175.7-72.7-175.1176.2-176.10111.5G182 R183 T188 K189 T190G182-K186 PolarHBondContact O-N 3.42Å; R183-K186 PolarHBondContact O-N 2.97Å; R183-K186 VanDerWaalsContact O-N 3.09Å; K186-T188 PolarHBondContact O-N 3.29Å; K186-K189 WeakPolarHBondContact O-CB 3.41Å; K186-K189 PolarHBondContact O-N 3.12Å; K186-K189 VanDerWaalsContact O-N 3.13Å; K186-T190 PolarHBondContact O-N 2.94Å; K186-T190 PolarHBondContact O-OG1 3.37Å
187L55Low52.7Low140 Ų140108 Ų10873%0.73354%0.539SS*.Hα-helixtrans-60-44.2-177.5-159.685.7000112.3R183 T190 A191R183-L187 PolarHBondContact O-N 3.17Å; L187-T190 PolarHBondContact O-N 3.27Å; L187-A191 PolarHBondContact O-N 3.3Å
188T53.1Low51.8Low51 Ų51110.6 Ų110.631%0.31355%0.55SS.*Hα-helixtrans-69.6-30.5176.851.20000113.4R184 A185 K186 T190 A192 R203R184-T188 WeakPolarHBondContact O-CG2 3.4Å; R184-T188 PolarHBondContact O-OG1 3Å; A185-T188 PolarHBondContact O-OG1 3.06Å; K186-T188 PolarHBondContact O-N 3.29Å; T188-T190 VanDerWaalsContact C-N 3.29Å; T188-T190 PolarHBondContact O-N 3.49Å; T188-A192 VanDerWaalsContact O-CB 3.25Å; T188-A192 WeakPolarHBondContact O-CB 3.36Å; T188-A192 PolarHBondContact O-N 2.95Å; T188-A192 VanDerWaalsContact O-N 3.08Å; T188-R203 VanDerWaalsContact CG2-NH1 3.25Å; T188-R203 PolarHBondContact OG1-NH1 3.02Å
189K53.9Low51.2Low127 Ų127110.8 Ų110.855%0.55256%0.557SS**Hα-helixtrans-63.4-37.1173.5-82175.4-177.3-170.60111.1A185 K186 R193A185-K189 WeakPolarHBondContact O-CG 3.25Å; A185-K189 PolarHBondContact O-N 2.84Å; K186-K189 WeakPolarHBondContact O-CB 3.41Å; K186-K189 PolarHBondContact O-N 3.12Å; K186-K189 VanDerWaalsContact O-N 3.13Å; K189-R193 PolarHBondContact O-N 3.36Å
190T54Low51.1Low92 Ų92108.3 Ų108.356%0.56454%0.544SS*.Hα-helixtrans-70.7-48178.3-51.40000111.7K186 L187 T188 A192 R193K186-T190 PolarHBondContact O-N 2.94Å; K186-T190 PolarHBondContact O-OG1 3.37Å; L187-T190 PolarHBondContact O-N 3.27Å; T188-T190 VanDerWaalsContact C-N 3.29Å; T188-T190 PolarHBondContact O-N 3.49Å; T190-A192 VanDerWaalsContact C-N 3.27Å; T190-A192 PolarHBondContact O-N 3.3Å; T190-R193 PolarHBondContact O-N 3.41Å
191A50.5Low51Low72 Ų72101.5 Ų101.560%0.59552%0.524SS*.Hα-helixtrans-60.9-36.3178.100000112.6L187 R193 F194L187-A191 PolarHBondContact O-N 3.3Å; A191-R193 PolarHBondContact O-N 2.92Å; A191-F194 PolarHBondContact O-N 2.92Å
192A50Low50.8Low19 Ų19102.2 Ų102.216%0.15752%0.515CS..Hα-helixtrans-75.2-17.6-18000000114.7T188 T190 F194 G196 L204T188-A192 VanDerWaalsContact O-CB 3.25Å; T188-A192 WeakPolarHBondContact O-CB 3.36Å; T188-A192 PolarHBondContact O-N 2.95Å; T188-A192 VanDerWaalsContact O-N 3.08Å; T190-A192 VanDerWaalsContact C-N 3.27Å; T190-A192 PolarHBondContact O-N 3.3Å; A192-F194 VanDerWaalsContact C-N 3.29Å; A192-F194 PolarHBondContact O-N 2.81Å; A192-G196 WeakPolarHBondContact O-CA 3.37Å; A192-G196 PolarHBondContact O-N 3.26Å; A192-L204 HydrophobicContact CB-CD1 3.34Å; A192-L204 HydrophobicContact CB-CD2 3.59Å; A192-L204 HydrophobicContact CB-CG 4.09Å
193R50.5Low50.1Low214 Ų214102.5 Ų102.581%0.80850%0.503SS*.Hα-helixtrans-67.7-29.9172.4-76.5-175.9-162.3174.43.3112.8K189 T190 A191K189-R193 PolarHBondContact O-N 3.36Å; T190-R193 PolarHBondContact O-N 3.41Å; A191-R193 PolarHBondContact O-N 2.92Å
194F47.3Very low49.7Very low206 Ų20693.9 Ų93.990%0.90447%0.474SS*.Hα-helixtrans-91.7-26-174.2-111.8-90.4000113.6A191 A192A191-F194 PolarHBondContact O-N 2.92Å; A192-F194 VanDerWaalsContact C-N 3.29Å; A192-F194 PolarHBondContact O-N 2.81Å
195G48.3Very low49.9Very low49 Ų4984.1 Ų84.151%0.50544%0.438SS..Hα-helixtrans-153.316.5-17800000116.4I197G195-I197 PolarHBondContact O-N 3.03Å; G195-I197 VanDerWaalsContact O-N 3.17Å
196G48.9Very low50.6Low7 Ų783.8 Ų83.87%0.07244%0.435CS..THydrogen-bonded Turntrans-81.916.2-16100000118.7A192A192-G196 WeakPolarHBondContact O-CA 3.37Å; A192-G196 PolarHBondContact O-N 3.26Å
197I50.1Low51.4Low26 Ų2676.6 Ų76.613%0.13340%0.404CS..THydrogen-bonded Turntrans-87.3-29.2175.6-65.5167.2000111.5G195 I209 F213 M355 I356G195-I197 PolarHBondContact O-N 3.03Å; G195-I197 VanDerWaalsContact O-N 3.17Å; I197-I209 HydrophobicContact CG2-CG2 4.36Å; I197-F213 HydrophobicContact CG2-CE2 4.21Å; I197-M355 WeakPolarHBondContact CD1-O 3.43Å; I197-I356 VanDerWaalsContact CD1-CA 3.43Å; I197-I356 HydrophobicContact CD1-CB 4.14Å; I197-I356 HydrophobicContact CD1-CG1 3.92Å; I197-I356 HydrophobicContact CD1-CG2 4.49Å
198F45Very low52.7Low151 Ų15170 Ų7066%0.66237%0.37SS*.SBendtrans-80-17176.2-73-74.3000113.7A200 F210F198-A200 PolarHBondContact O-N 3.48Å; F198-F210 WeakPolarHBondContact O-CE2 3.31Å
199V42Very low54.3Low93 Ų9367.6 Ų67.656%0.56436%0.355SS*.SBendtrans-88106.3174.5-176.90000108.1S201V199-S201 PolarHBondContact O-N 3.29Å
200A43.8Very low55.8Low54 Ų5464.3 Ų64.345%0.44634%0.34SS..  trans-57.787.8168.600000109.6F198 F210F198-A200 PolarHBondContact O-N 3.48Å; A200-F210 HydrophobicContact CB-CD1 3.55Å; A200-F210 HydrophobicContact CB-CD2 4.22Å; A200-F210 HydrophobicContact CB-CE1 3.59Å; A200-F210 HydrophobicContact CB-CE2 4.26Å; A200-F210 HydrophobicContact CB-CG 3.88Å; A200-F210 HydrophobicContact CB-CZ 3.96Å
201S45.8Very low57.4Low34 Ų3460.2 Ų60.224%0.23832%0.316CS..  trans-118.6110178.9-142.80000108.2V199 R203 L204V199-S201 PolarHBondContact O-N 3.29Å; S201-R203 PolarHBondContact O-N 3.25Å; S201-R203 VanDerWaalsContact OG-CB 3.24Å; S201-R203 WeakPolarHBondContact OG-CB 3.42Å; S201-L204 PolarHBondContact O-N 2.76Å
202K44.9Very low59.2Low153 Ų15356.9 Ų56.967%0.66529%0.288SS*.G310 helixtrans-43.9-28.7161.4-70-174.6174.8-174.40111.2L204K202-L204 PolarHBondContact O-N 3.1Å
203R47.7Very low61.2Low50 Ų5056.7 Ų56.719%0.18928%0.283CS..G310 helixtrans-63-27.4178.8-161.1168.5-144.6179.74.5117.4E178 R184 T188 S201E178-R203 VanDerWaalsContact CD-CA 3.49Å; E178-R203 VanDerWaalsContact OE1-CA 3.23Å; E178-R203 WeakPolarHBondContact OE1-CA 3.33Å; E178-R203 PolarHBondContact OE1-N 3.49Å; E178-R203 VanDerWaalsContact OE1-N 3.12Å; E178-R203 WeakPolarHBondContact OE2-CG 3.33Å; E178-R203 IonicContact OE2-NE 2.74Å; R184-R203 PolarHBondContact O-NH1 3.41Å; R184-R203 PolarHBondContact O-NH2 3Å; T188-R203 VanDerWaalsContact CG2-NH1 3.25Å; T188-R203 PolarHBondContact OG1-NH1 3.02Å; S201-R203 PolarHBondContact O-N 3.25Å; S201-R203 VanDerWaalsContact OG-CB 3.24Å; S201-R203 WeakPolarHBondContact OG-CB 3.42Å
204L48.5Very low63.2Low53 Ų5348.7 Ų48.728%0.27726%0.259SS..G310 helixtrans-105.7-7.1-173.2-112.587.6000114.6A192 S201 K202 T206A192-L204 HydrophobicContact CB-CD1 3.34Å; A192-L204 HydrophobicContact CB-CD2 3.59Å; A192-L204 HydrophobicContact CB-CG 4.09Å; S201-L204 PolarHBondContact O-N 2.76Å; K202-L204 PolarHBondContact O-N 3.1Å; L204-T206 VanDerWaalsContact C-N 3.26Å; L204-T206 HydrophobicContact CB-CG2 4.01Å; L204-T206 HydrophobicContact CD2-CG2 4.3Å
205G57.8Low65.3Low2 Ų239.4 Ų39.42%0.02122%0.22CC..THydrogen-bonded Turntrans57.944.2-166.500000111.1D398G205-D398 WeakPolarHBondContact CA-OD2 3.5Å; G205-D398 VanDerWaalsContact O-CB 3.29Å; G205-D398 WeakPolarHBondContact O-CB 3.44Å; G205-D398 PolarHBondContact O-N 3Å; G205-D398 VanDerWaalsContact O-OD2 3.06Å
206T67.8Low67.5Low3 Ų337.3 Ų37.32%0.01820%0.197CC..  trans-117.510.3171.850.90000111.6L204 F210 A397 D398L204-T206 VanDerWaalsContact C-N 3.26Å; L204-T206 HydrophobicContact CB-CG2 4.01Å; L204-T206 HydrophobicContact CD2-CG2 4.3Å; T206-F210 WeakPolarHBondContact O-CB 3.26Å; T206-F210 PolarHBondContact O-N 2.79Å; T206-A397 HydrophobicContact CG2-CB 4.01Å; T206-D398 VanDerWaalsContact C-OD1 3.29Å; T206-D398 VanDerWaalsContact CA-OD1 3.28Å; T206-D398 WeakPolarHBondContact CA-OD1 3.48Å; T206-D398 PolarHBondContact N-OD2 3.34Å
207N75Confident69.7Low13 Ų1340.8 Ų40.87%0.0721%0.213CC..Hα-helixtrans-68.4-50.2-170.2-165.322.9000108.7R135 I209 F210 S211 D398R135-N207 VanDerWaalsContact CD-ND2 3.3Å; R135-N207 WeakPolarHBondContact CD-ND2 3.36Å; R135-N207 WeakPolarHBondContact CG-ND2 3.36Å; R135-N207 PolarHBondContact NH1-O 2.76Å; R135-N207 PolarHBondContact NH1-OD1 3.45Å; R135-N207 VanDerWaalsContact NH1-OD1 3.17Å; R135-N207 PolarHBondContact NH2-O 3.05Å; R135-N207 PolarHBondContact NH2-OD1 2.99Å; N207-I209 VanDerWaalsContact C-N 3.3Å; N207-I209 PolarHBondContact O-N 2.88Å; N207-F210 WeakPolarHBondContact O-CB 3.46Å; N207-F210 PolarHBondContact O-N 3.31Å; N207-F210 VanDerWaalsContact O-N 3.08Å; N207-S211 PolarHBondContact O-N 3.46Å; N207-S211 PolarHBondContact O-OG 2.9Å; N207-D398 PolarHBondContact N-OD1 3.4Å; N207-D398 PolarHBondContact N-OD2 3.03Å; N207-D398 VanDerWaalsContact N-OD2 3.08Å
208L81.7Confident71.8Confident2 Ų243.2 Ų43.21%0.0123%0.225CC..Hα-helixtrans-60.4-42.2-177.6-174.864000111.5W128 M140 F210 S211 Y212 D398 F401 I402W128-L208 HydrophobicContact CH2-CD1 4.19Å; M140-L208 HydrophobicContact SD-CD2 4.3Å; L208-F210 PolarHBondContact O-N 2.89Å; L208-S211 VanDerWaalsContact C-OG 3.3Å; L208-S211 WeakPolarHBondContact CA-OG 3.34Å; L208-S211 PolarHBondContact O-N 2.86Å; L208-S211 PolarHBondContact O-OG 2.85Å; L208-Y212 PolarHBondContact O-N 3.26Å; L208-D398 HydrophobicContact CB-CB 4.4Å; L208-D398 PolarHBondContact N-OD1 3.04Å; L208-D398 PolarHBondContact N-OD2 3.13Å; L208-F401 HydrophobicContact CD2-CD1 3.63Å; L208-F401 HydrophobicContact CD2-CE1 3.84Å; L208-F401 HydrophobicContact CG-CD1 3.88Å; L208-F401 HydrophobicContact CG-CE1 3.81Å; L208-I402 HydrophobicContact CD2-CD1 4.04Å; L208-I402 HydrophobicContact CD2-CG1 3.68Å
209I86.8Confident74.1Confident0 Ų036.2 Ų36.20%020%0.195CC..Hα-helixtrans-59.2-46.7173.9-64.7163.6000111.2I197 N207 S211 Y212 F213 M355 A397 D398 F401I197-I209 HydrophobicContact CG2-CG2 4.36Å; N207-I209 VanDerWaalsContact C-N 3.3Å; N207-I209 PolarHBondContact O-N 2.88Å; I209-S211 PolarHBondContact O-N 3.31Å; I209-Y212 WeakPolarHBondContact O-CB 3.37Å; I209-Y212 PolarHBondContact O-N 2.91Å; I209-F213 HydrophobicContact CG2-CD2 3.6Å; I209-F213 HydrophobicContact CG2-CE2 3.26Å; I209-F213 HydrophobicContact CG2-CZ 4.29Å; I209-F213 VanDerWaalsContact O-CD2 3.26Å; I209-F213 WeakPolarHBondContact O-CD2 3.37Å; I209-F213 PolarHBondContact O-N 3.44Å; I209-M355 HydrophobicContact CD1-CE 3.32Å; I209-M355 HydrophobicContact CG1-CE 3.8Å; I209-M355 HydrophobicContact CG2-CB 4.42Å; I209-A397 HydrophobicContact CD1-CB 3.71Å; I209-D398 WeakPolarHBondContact CG1-OD1 3.5Å; I209-D398 PolarHBondContact N-OD1 3.39Å; I209-F401 HydrophobicContact CD1-CB 4.1Å; I209-F401 HydrophobicContact CG1-CB 3.65Å; I209-F401 HydrophobicContact CG1-CD1 4.5Å; I209-F401 HydrophobicContact CG1-CD2 4.04Å; I209-F401 HydrophobicContact CG1-CG 3.81Å
210F86Confident76.7Confident57 Ų5733.2 Ų33.225%0.2518%0.175CC..Hα-helixtrans-62.3-40.6179.5179.7-93.2000112.3F198 A200 T206 N207 L208 Y212 F213 C214F198-F210 WeakPolarHBondContact O-CE2 3.31Å; A200-F210 HydrophobicContact CB-CD1 3.55Å; A200-F210 HydrophobicContact CB-CD2 4.22Å; A200-F210 HydrophobicContact CB-CE1 3.59Å; A200-F210 HydrophobicContact CB-CE2 4.26Å; A200-F210 HydrophobicContact CB-CG 3.88Å; A200-F210 HydrophobicContact CB-CZ 3.96Å; T206-F210 WeakPolarHBondContact O-CB 3.26Å; T206-F210 PolarHBondContact O-N 2.79Å; N207-F210 WeakPolarHBondContact O-CB 3.46Å; N207-F210 PolarHBondContact O-N 3.31Å; N207-F210 VanDerWaalsContact O-N 3.08Å; L208-F210 PolarHBondContact O-N 2.89Å; F210-Y212 VanDerWaalsContact C-N 3.3Å; F210-Y212 PolarHBondContact O-N 3.47Å; F210-F213 PolarHBondContact O-N 3.32Å; F210-C214 WeakPolarHBondContact CE1-SG 3.44Å; F210-C214 VanDerWaalsContact CZ-SG 3.57Å; F210-C214 PolarHBondContact O-N 2.87Å; F210-C214 PolarHBondContact O-SG 3.21Å
211S86Confident79.2Confident6 Ų635.5 Ų35.54%0.04218%0.179CC..Hα-helixtrans-60.7-44.7174.522.90000111R135 N207 L208 I209 F213 C214 V215R135-S211 PolarHBondContact NH1-OG 3.35Å; R135-S211 PolarHBondContact NH2-OG 3.36Å; N207-S211 PolarHBondContact O-N 3.46Å; N207-S211 PolarHBondContact O-OG 2.9Å; L208-S211 VanDerWaalsContact C-OG 3.3Å; L208-S211 WeakPolarHBondContact CA-OG 3.34Å; L208-S211 PolarHBondContact O-N 2.86Å; L208-S211 PolarHBondContact O-OG 2.85Å; I209-S211 PolarHBondContact O-N 3.31Å; S211-F213 VanDerWaalsContact C-N 3.31Å; S211-F213 PolarHBondContact O-N 3.48Å; S211-C214 WeakPolarHBondContact O-CB 3.24Å; S211-C214 PolarHBondContact O-N 3.32Å; S211-C214 VanDerWaalsContact O-N 3.14Å; S211-V215 WeakPolarHBondContact O-CG2 3.15Å; S211-V215 PolarHBondContact O-N 3.38Å
212Y90.1Very high81.5Confident2 Ų234.5 Ų34.51%0.00817%0.171CC..Hα-helixtrans-62-43.6-176.5-173.9-119.1000111D26 W128 L208 I209 F210 V215 K216 W351 F401D26-Y212 PolarHBondContact OD2-OH 3.29Å; D26-Y212 VanDerWaalsContact OD2-OH 3.13Å; W128-Y212 HydrophobicContact CD2-CD2 4.17Å; W128-Y212 AromaticContact CE2-CD2 3.85Å; W128-Y212 HydrophobicContact CE3-CD2 4.01Å; W128-Y212 AromaticContact CH2-CD2 3.31Å; W128-Y212 HydrophobicContact CH2-CD2 3.31Å; W128-Y212 HydrophobicContact CH2-CE2 4.27Å; W128-Y212 AromaticContact CH2-CG 3.81Å; W128-Y212 HydrophobicContact CH2-CG 3.81Å; W128-Y212 AromaticContact CZ2-CD2 3.37Å; W128-Y212 HydrophobicContact CZ2-CD2 3.37Å; W128-Y212 AromaticContact CZ2-CE2 3.88Å; W128-Y212 HydrophobicContact CZ2-CE2 3.88Å; W128-Y212 HydrophobicContact CZ2-CG 4.24Å; W128-Y212 AromaticContact CZ3-CD2 3.64Å; W128-Y212 HydrophobicContact CZ3-CD2 3.64Å; W128-Y212 HydrophobicContact CZ3-CG 4.12Å; L208-Y212 PolarHBondContact O-N 3.26Å; I209-Y212 WeakPolarHBondContact O-CB 3.37Å; I209-Y212 PolarHBondContact O-N 2.91Å; F210-Y212 VanDerWaalsContact C-N 3.3Å; F210-Y212 PolarHBondContact O-N 3.47Å; Y212-V215 PolarHBondContact O-N 3.13Å; Y212-K216 HydrophobicContact CE1-CD 4.05Å; Y212-K216 PolarHBondContact O-N 3.16Å; Y212-K216 WeakPolarHBondContact OH-CE 3.24Å; Y212-K216 PolarHBondContact OH-NZ 2.76Å; Y212-W351 HydrophobicContact CD1-CD2 4.42Å; Y212-W351 AromaticContact CE1-CD1 3.89Å; Y212-W351 AromaticContact CE1-CD2 3.59Å; Y212-W351 HydrophobicContact CE1-CD2 3.59Å; Y212-W351 AromaticContact CE1-CE2 3.56Å; Y212-W351 HydrophobicContact CE1-CE3 4.1Å; Y212-W351 AromaticContact CE1-CG 3.81Å; Y212-W351 HydrophobicContact CE1-CG 3.81Å; Y212-W351 HydrophobicContact CE1-CH2 4.49Å; Y212-W351 HydrophobicContact CE1-CZ2 4.04Å; Y212-W351 AromaticContact CE1-NE1 3.76Å; Y212-W351 AromaticContact CZ-CE2 3.97Å; Y212-W351 AromaticContact CZ-NE1 3.99Å; Y212-W351 PolarHBondContact OH-NE1 2.88Å; Y212-F401 AromaticContact CD1-CE2 3.47Å; Y212-F401 HydrophobicContact CD1-CE2 3.47Å; Y212-F401 VanDerWaalsContact CD1-CE2 3.47Å; Y212-F401 AromaticContact CD1-CZ 3.67Å; Y212-F401 HydrophobicContact CD1-CZ 3.67Å; Y212-F401 HydrophobicContact CD2-CZ 4.08Å; Y212-F401 AromaticContact CE1-CE2 3.86Å; Y212-F401 HydrophobicContact CE1-CE2 3.86Å; Y212-F401 HydrophobicContact CE1-CZ 4.14Å; Y212-F401 AromaticContact CG-CE2 3.9Å; Y212-F401 HydrophobicContact CG-CE2 3.9Å; Y212-F401 AromaticContact CG-CZ 3.59Å; Y212-F401 HydrophobicContact CG-CZ 3.59Å
213F92.2Very high83.9Confident16 Ų1627.2 Ų27.27%0.0714%0.14CC..Hα-helixtrans-63.4-40.3173.6-73-52.7000112.9I197 I209 F210 S211 V215 K216 I217 L348 W351 L352 M355I197-F213 HydrophobicContact CG2-CE2 4.21Å; I209-F213 HydrophobicContact CG2-CD2 3.6Å; I209-F213 HydrophobicContact CG2-CE2 3.26Å; I209-F213 HydrophobicContact CG2-CZ 4.29Å; I209-F213 VanDerWaalsContact O-CD2 3.26Å; I209-F213 WeakPolarHBondContact O-CD2 3.37Å; I209-F213 PolarHBondContact O-N 3.44Å; F210-F213 PolarHBondContact O-N 3.32Å; S211-F213 VanDerWaalsContact C-N 3.31Å; S211-F213 PolarHBondContact O-N 3.48Å; F213-V215 VanDerWaalsContact C-N 3.35Å; F213-V215 PolarHBondContact O-N 2.9Å; F213-K216 PolarHBondContact O-N 2.71Å; F213-I217 VanDerWaalsContact O-CG1 3.3Å; F213-I217 WeakPolarHBondContact O-CG1 3.43Å; F213-I217 PolarHBondContact O-N 3.34Å; F213-L348 HydrophobicContact CD1-CD1 3.57Å; F213-L348 HydrophobicContact CE1-CD1 4.08Å; F213-W351 HydrophobicContact CE1-CB 3.71Å; F213-W351 HydrophobicContact CZ-CB 4.23Å; F213-L352 HydrophobicContact CD1-CD2 4Å; F213-L352 HydrophobicContact CD1-CG 4.29Å; F213-L352 HydrophobicContact CE1-CB 4.44Å; F213-L352 HydrophobicContact CE1-CD2 3.61Å; F213-L352 HydrophobicContact CE1-CG 3.7Å; F213-L352 HydrophobicContact CE2-CD2 4.2Å; F213-L352 HydrophobicContact CG-CD2 4.47Å; F213-L352 HydrophobicContact CZ-CD2 3.73Å; F213-L352 HydrophobicContact CZ-CG 4.14Å; F213-M355 HydrophobicContact CE2-CB 4.33Å; F213-M355 HydrophobicContact CZ-CB 4.11Å; F213-M355 HydrophobicContact CZ-CG 4.34Å
214C91.5Very high86.1Confident45 Ų4527 Ų2730%0.30415%0.148SC..Hα-helixtrans-59.9-45.4174.8-67.60000111.6F210 S211 K216 I217 I218F210-C214 WeakPolarHBondContact CE1-SG 3.44Å; F210-C214 VanDerWaalsContact CZ-SG 3.57Å; F210-C214 PolarHBondContact O-N 2.87Å; F210-C214 PolarHBondContact O-SG 3.21Å; S211-C214 WeakPolarHBondContact O-CB 3.24Å; S211-C214 PolarHBondContact O-N 3.32Å; S211-C214 VanDerWaalsContact O-N 3.14Å; C214-K216 PolarHBondContact O-N 3.08Å; C214-I217 PolarHBondContact O-N 3.24Å; C214-I218 VanDerWaalsContact O-CG1 3.31Å; C214-I218 WeakPolarHBondContact O-CG1 3.36Å; C214-I218 PolarHBondContact O-N 2.86Å
215V92.3Very high88.2Confident12 Ų1228.3 Ų28.37%0.07316%0.155CC..Hα-helixtrans-62.5-43.4176.9172.70000111P124 A127 W128 S211 Y212 F213 I217 I218 T219P124-V215 HydrophobicContact CB-CG1 4.43Å; P124-V215 WeakPolarHBondContact O-CG1 3.5Å; A127-V215 HydrophobicContact CB-CG2 4.31Å; W128-V215 HydrophobicContact CB-CG1 4.1Å; W128-V215 HydrophobicContact CB-CG2 4.45Å; W128-V215 HydrophobicContact CE3-CG2 4.12Å; S211-V215 WeakPolarHBondContact O-CG2 3.15Å; S211-V215 PolarHBondContact O-N 3.38Å; Y212-V215 PolarHBondContact O-N 3.13Å; F213-V215 VanDerWaalsContact C-N 3.35Å; F213-V215 PolarHBondContact O-N 2.9Å; V215-I217 VanDerWaalsContact C-N 3.3Å; V215-I217 PolarHBondContact O-N 2.77Å; V215-I218 CarbonylContact O-C 3.42Å; V215-I218 WeakPolarHBondContact O-CA 3.47Å; V215-I218 WeakPolarHBondContact O-CB 3.33Å; V215-I218 PolarHBondContact O-N 3.4Å; V215-I218 VanDerWaalsContact O-N 3.12Å; V215-T219 PolarHBondContact O-N 3.38Å; V215-T219 PolarHBondContact O-OG1 3.32Å; V215-T219 VanDerWaalsContact O-OG1 3.06Å
216K94.3Very high89.9Confident5 Ų528.2 Ų28.22%0.02215%0.154CC..Hα-helixtrans-60.7-39.4176-74.9-163.1179.7-72.70113.1D26 Y212 F213 C214 I218 T219 I220 S347 L348 W351D26-K216 IonicContact OD1-NZ 2.55Å; D26-K216 PolarHBondContact OD1-NZ 3.22Å; D26-K216 IonicContact OD2-NZ 3.02Å; D26-K216 PolarHBondContact OD2-NZ 3.3Å; Y212-K216 HydrophobicContact CE1-CD 4.05Å; Y212-K216 PolarHBondContact O-N 3.16Å; Y212-K216 WeakPolarHBondContact OH-CE 3.24Å; Y212-K216 PolarHBondContact OH-NZ 2.76Å; F213-K216 PolarHBondContact O-N 2.71Å; C214-K216 PolarHBondContact O-N 3.08Å; K216-I218 VanDerWaalsContact C-N 3.35Å; K216-T219 PolarHBondContact O-N 3.49Å; K216-I220 WeakPolarHBondContact O-CG1 3.38Å; K216-I220 PolarHBondContact O-N 3.26Å; K216-S347 PolarHBondContact NZ-OG 2.98Å; K216-L348 HydrophobicContact CB-CD1 4.06Å; K216-L348 HydrophobicContact CD-CB 4.45Å; K216-L348 HydrophobicContact CD-CD1 4.35Å; K216-W351 VanDerWaalsContact CE-CD1 3.49Å
217I94.4Very high91Very high80 Ų8029.1 Ų29.141%0.4116%0.159SC..Hα-helixtrans-63.9-43.8174.8-68.3165.4000110F213 C214 V215 T219 I220 I221 L348F213-I217 VanDerWaalsContact O-CG1 3.3Å; F213-I217 WeakPolarHBondContact O-CG1 3.43Å; F213-I217 PolarHBondContact O-N 3.34Å; C214-I217 PolarHBondContact O-N 3.24Å; V215-I217 VanDerWaalsContact C-N 3.3Å; V215-I217 PolarHBondContact O-N 2.77Å; I217-T219 VanDerWaalsContact C-N 3.32Å; I217-T219 PolarHBondContact O-N 3.37Å; I217-I220 PolarHBondContact O-N 3.15Å; I217-I221 HydrophobicContact CG2-CD1 3.7Å; I217-I221 HydrophobicContact CG2-CG1 4.32Å; I217-I221 WeakPolarHBondContact O-CB 3.17Å; I217-I221 VanDerWaalsContact O-CG1 3.29Å; I217-I221 WeakPolarHBondContact O-CG1 3.28Å; I217-I221 PolarHBondContact O-N 2.95Å; I217-L348 HydrophobicContact CG1-CD2 4.32Å
218I94.1Very high91.6Very high76 Ų7634.4 Ų34.439%0.3918%0.181SC..Hα-helixtrans-59.1-42.7174.3-67.6164.4000110.9P124 C214 V215 K216 I220 I221 N222P124-I218 HydrophobicContact CG-CG2 4.39Å; C214-I218 VanDerWaalsContact O-CG1 3.31Å; C214-I218 WeakPolarHBondContact O-CG1 3.36Å; C214-I218 PolarHBondContact O-N 2.86Å; V215-I218 CarbonylContact O-C 3.42Å; V215-I218 WeakPolarHBondContact O-CA 3.47Å; V215-I218 WeakPolarHBondContact O-CB 3.33Å; V215-I218 PolarHBondContact O-N 3.4Å; V215-I218 VanDerWaalsContact O-N 3.12Å; K216-I218 VanDerWaalsContact C-N 3.35Å; I218-I220 PolarHBondContact O-N 3.2Å; I218-I221 PolarHBondContact O-N 3.15Å; I218-N222 VanDerWaalsContact O-CB 3.29Å; I218-N222 WeakPolarHBondContact O-CB 3.49Å; I218-N222 PolarHBondContact O-N 3.22Å
219T94.4Very high92Very high4 Ų436.1 Ų36.13%0.02519%0.19CC..Hα-helixtrans-60.8-44.3176.2-53.70000112N29 P124 V215 K216 I217 N222 A223N29-T219 HydrophobicContact CB-CG2 4.49Å; P124-T219 VanDerWaalsContact CB-OG1 3.24Å; P124-T219 WeakPolarHBondContact CB-OG1 3.33Å; V215-T219 PolarHBondContact O-N 3.38Å; V215-T219 PolarHBondContact O-OG1 3.32Å; V215-T219 VanDerWaalsContact O-OG1 3.06Å; K216-T219 PolarHBondContact O-N 3.49Å; I217-T219 VanDerWaalsContact C-N 3.32Å; I217-T219 PolarHBondContact O-N 3.37Å; T219-N222 PolarHBondContact O-N 3.42Å; T219-A223 PolarHBondContact O-N 3.42Å
220I96.1Very high92.1Very high30 Ų3036.1 Ų36.115%0.15419%0.19CC..Hα-helixtrans-65.6-45.6178.4-70167.1000111K216 I217 I218 N222 A223 A224 L341 C344 I345 L348K216-I220 WeakPolarHBondContact O-CG1 3.38Å; K216-I220 PolarHBondContact O-N 3.26Å; I217-I220 PolarHBondContact O-N 3.15Å; I218-I220 PolarHBondContact O-N 3.2Å; I220-N222 VanDerWaalsContact C-N 3.3Å; I220-N222 PolarHBondContact O-N 3.33Å; I220-A223 PolarHBondContact O-N 3.29Å; I220-A224 PolarHBondContact O-N 3.01Å; I220-L341 HydrophobicContact CG2-CD1 3.87Å; I220-C344 HydrophobicContact CG1-CB 3.76Å; I220-I345 HydrophobicContact CD1-CG1 4.08Å; I220-I345 HydrophobicContact CG1-CG1 4.34Å; I220-I345 HydrophobicContact CG2-CG1 4.23Å; I220-L348 HydrophobicContact CD1-CB 3.97Å; I220-L348 HydrophobicContact CD1-CD2 3.53Å; I220-L348 HydrophobicContact CD1-CG 4.37Å
221I95.2Very high92Very high103 Ų10335 Ų3553%0.52819%0.186SC..Hα-helixtrans-60.6-43.7176.6-69.2169.3000110I217 I218 A224 L225I217-I221 HydrophobicContact CG2-CD1 3.7Å; I217-I221 HydrophobicContact CG2-CG1 4.32Å; I217-I221 WeakPolarHBondContact O-CB 3.17Å; I217-I221 VanDerWaalsContact O-CG1 3.29Å; I217-I221 WeakPolarHBondContact O-CG1 3.28Å; I217-I221 PolarHBondContact O-N 2.95Å; I218-I221 PolarHBondContact O-N 3.15Å; I221-A224 PolarHBondContact O-N 3.46Å; I221-L225 VanDerWaalsContact O-CB 3.31Å; I221-L225 WeakPolarHBondContact O-CB 3.37Å; I221-L225 PolarHBondContact O-N 3.42Å
222N95.5Very high91.8Very high13 Ų1341.2 Ų41.27%0.0721%0.208CC..Hα-helixtrans-60.7-51.4176.3-177.948.4000110.6L120 F121 I218 T219 I220 A224 L225 Q226L120-N222 PolarHBondContact O-ND2 3.37Å; F121-N222 WeakPolarHBondContact CA-ND2 3.29Å; I218-N222 VanDerWaalsContact O-CB 3.29Å; I218-N222 WeakPolarHBondContact O-CB 3.49Å; I218-N222 PolarHBondContact O-N 3.22Å; T219-N222 PolarHBondContact O-N 3.42Å; I220-N222 VanDerWaalsContact C-N 3.3Å; I220-N222 PolarHBondContact O-N 3.33Å; N222-A224 VanDerWaalsContact C-N 3.29Å; N222-A224 PolarHBondContact O-N 3.43Å; N222-L225 WeakPolarHBondContact O-CB 3.34Å; N222-L225 PolarHBondContact O-N 3.02Å; N222-Q226 WeakPolarHBondContact O-CG 3.2Å; N222-Q226 PolarHBondContact O-N 3.05Å; N222-Q226 PolarHBondContact OD1-NE2 3.49Å
223A95.3Very high91.6Very high0 Ų043.2 Ų43.20%022%0.217CC..Hα-helixtrans-55.9-42.1177.700000112.7T219 I220 Q226 I227 I337 L341T219-A223 PolarHBondContact O-N 3.42Å; I220-A223 PolarHBondContact O-N 3.29Å; A223-Q226 PolarHBondContact O-N 2.9Å; A223-I227 PolarHBondContact O-N 3.31Å; A223-I337 HydrophobicContact CB-CG2 4.38Å; A223-I337 WeakPolarHBondContact O-CG2 3.12Å; A223-L341 HydrophobicContact CB-CB 4.33Å; A223-L341 HydrophobicContact CB-CD1 3.98Å
224A92.6Very high91Very high44 Ų4442.7 Ų42.736%0.36422%0.215SC..Hα-helixtrans-65.3-42.617500000112.5I220 I221 N222 Q226 I227 F228 L341I220-A224 PolarHBondContact O-N 3.01Å; I221-A224 PolarHBondContact O-N 3.46Å; N222-A224 VanDerWaalsContact C-N 3.29Å; N222-A224 PolarHBondContact O-N 3.43Å; A224-Q226 PolarHBondContact O-N 3.44Å; A224-I227 PolarHBondContact O-N 3.32Å; A224-F228 PolarHBondContact O-N 2.98Å; A224-L341 HydrophobicContact CB-CD1 4.44Å
225L92.3Very high90.1Very high82 Ų8241.8 Ų41.843%0.42921%0.213SC..Hα-helixtrans-60.7-35.2175.6-178.365.7000111.5I221 N222 F228 L229I221-L225 VanDerWaalsContact O-CB 3.31Å; I221-L225 WeakPolarHBondContact O-CB 3.37Å; I221-L225 PolarHBondContact O-N 3.42Å; N222-L225 WeakPolarHBondContact O-CB 3.34Å; N222-L225 PolarHBondContact O-N 3.02Å; L225-F228 HydrophobicContact CD1-CD1 4.35Å; L225-F228 WeakPolarHBondContact O-CB 3.29Å; L225-F228 PolarHBondContact O-N 3.45Å; L225-L229 VanDerWaalsContact O-CB 3.3Å; L225-L229 WeakPolarHBondContact O-CB 3.4Å; L225-L229 PolarHBondContact O-N 3.2Å
226Q93.6Very high88.7Confident0 Ų042.6 Ų42.60%022%0.216CC..Hα-helixtrans-69.3-40.1178.1-63.5-62.7-20.100112.3F121 N222 A223 A224 F228 L229 I230 I337F121-Q226 HydrophobicContact CD2-CG 3.99Å; F121-Q226 HydrophobicContact CE2-CB 3.88Å; F121-Q226 HydrophobicContact CE2-CG 3.42Å; F121-Q226 VanDerWaalsContact CE2-CG 3.42Å; F121-Q226 HydrophobicContact CZ-CB 4.04Å; F121-Q226 HydrophobicContact CZ-CG 3.73Å; N222-Q226 WeakPolarHBondContact O-CG 3.2Å; N222-Q226 PolarHBondContact O-N 3.05Å; N222-Q226 PolarHBondContact OD1-NE2 3.49Å; A223-Q226 PolarHBondContact O-N 2.9Å; A224-Q226 PolarHBondContact O-N 3.44Å; Q226-F228 VanDerWaalsContact C-N 3.32Å; Q226-L229 PolarHBondContact O-N 3.02Å; Q226-I230 WeakPolarHBondContact O-CG1 3.4Å; Q226-I230 PolarHBondContact O-N 2.99Å; Q226-I337 HydrophobicContact CB-CD1 4.13Å; Q226-I337 HydrophobicContact CB-CG2 4.34Å
227I91.1Very high86.9Confident22 Ų2248.3 Ų48.311%0.11324%0.238CC..Hα-helixtrans-60.5-46.2172.2-66.6170000109.9A223 A224 L229 I230 Q231 I337 V338 L341A223-I227 PolarHBondContact O-N 3.31Å; A224-I227 PolarHBondContact O-N 3.32Å; I227-L229 VanDerWaalsContact C-N 3.33Å; I227-L229 PolarHBondContact O-N 2.97Å; I227-I230 PolarHBondContact O-N 3.41Å; I227-Q231 VanDerWaalsContact O-CG 3.29Å; I227-Q231 WeakPolarHBondContact O-CG 3.41Å; I227-Q231 PolarHBondContact O-N 3.28Å; I227-Q231 VanDerWaalsContact O-N 3.13Å; I227-I337 HydrophobicContact CD1-CG2 4.04Å; I227-I337 HydrophobicContact CG1-CB 4.22Å; I227-I337 HydrophobicContact CG1-CG2 3.59Å; I227-V338 HydrophobicContact CD1-CG2 3.83Å; I227-L341 HydrophobicContact CD1-CD2 3.94Å
228F87.8Confident84.7Confident124 Ų12448.6 Ų48.654%0.54425%0.247SC..Hα-helixtrans-60.8-42.2175.8176.2-99000111.9A224 L225 Q226 Q231 R232A224-F228 PolarHBondContact O-N 2.98Å; L225-F228 HydrophobicContact CD1-CD1 4.35Å; L225-F228 WeakPolarHBondContact O-CB 3.29Å; L225-F228 PolarHBondContact O-N 3.45Å; Q226-F228 VanDerWaalsContact C-N 3.32Å; F228-Q231 PolarHBondContact O-N 3.13Å; F228-R232 HydrophobicContact CE1-CB 4.43Å; F228-R232 VanDerWaalsContact O-CB 3.27Å; F228-R232 WeakPolarHBondContact O-CB 3.21Å; F228-R232 PolarHBondContact O-N 3.08Å
229L90.1Very high82.5Confident37 Ų3751 Ų5119%0.19426%0.261CS..Hα-helixtrans-62.4-45.7179-169.2151.5000111.4V113 Q117 L225 Q226 I227 Q231 R232 F233V113-L229 HydrophobicContact CG1-CD2 3.49Å; V113-L229 VanDerWaalsContact CG1-CD2 3.49Å; Q117-L229 HydrophobicContact CG-CD2 4.04Å; L225-L229 VanDerWaalsContact O-CB 3.3Å; L225-L229 WeakPolarHBondContact O-CB 3.4Å; L225-L229 PolarHBondContact O-N 3.2Å; Q226-L229 PolarHBondContact O-N 3.02Å; I227-L229 VanDerWaalsContact C-N 3.33Å; I227-L229 PolarHBondContact O-N 2.97Å; L229-Q231 VanDerWaalsContact C-N 3.33Å; L229-Q231 PolarHBondContact O-N 3.01Å; L229-R232 PolarHBondContact O-N 3.31Å; L229-F233 WeakPolarHBondContact O-CB 3.45Å; L229-F233 PolarHBondContact O-N 2.94Å
230I89.3Confident80.2Confident0 Ų052.4 Ų52.40%028%0.276CS..Hα-helixtrans-59.3-46.2176.6-68.9171.6000110.5Q117 Q226 I227 F233 L234 F274 Y330 F333 I337Q117-I230 VanDerWaalsContact NE2-CG1 3.32Å; Q226-I230 WeakPolarHBondContact O-CG1 3.4Å; Q226-I230 PolarHBondContact O-N 2.99Å; I227-I230 PolarHBondContact O-N 3.41Å; I230-F233 PolarHBondContact O-N 3.09Å; I230-L234 HydrophobicContact CG2-CD1 3.99Å; I230-L234 WeakPolarHBondContact O-CB 3.24Å; I230-L234 WeakPolarHBondContact O-CG 3.44Å; I230-L234 PolarHBondContact O-N 3.27Å; I230-F274 HydrophobicContact CG2-CD1 4.3Å; I230-Y330 HydrophobicContact CG1-CD1 4.27Å; I230-Y330 HydrophobicContact CG1-CE1 4.46Å; I230-Y330 HydrophobicContact CG2-CD1 3.96Å; I230-F333 HydrophobicContact CD1-CB 4.33Å; I230-I337 HydrophobicContact CD1-CD1 3.8Å
231Q83.1Confident77.9Confident35 Ų3552.9 Ų52.916%0.16428%0.282CS..Hα-helixtrans-62.9-47.5179.6-68.4172.918.600111.6I227 F228 L229 F233 L234 G235 F236 F274I227-Q231 VanDerWaalsContact O-CG 3.29Å; I227-Q231 WeakPolarHBondContact O-CG 3.41Å; I227-Q231 PolarHBondContact O-N 3.28Å; I227-Q231 VanDerWaalsContact O-N 3.13Å; F228-Q231 PolarHBondContact O-N 3.13Å; L229-Q231 VanDerWaalsContact C-N 3.33Å; L229-Q231 PolarHBondContact O-N 3.01Å; Q231-F233 VanDerWaalsContact C-N 3.34Å; Q231-F233 PolarHBondContact O-N 3.47Å; Q231-L234 PolarHBondContact O-N 3.08Å; Q231-G235 PolarHBondContact O-N 2.99Å; Q231-G235 VanDerWaalsContact O-N 3.17Å; Q231-F236 HydrophobicContact CB-CB 4.41Å; Q231-F236 PolarHBondContact O-N 3.38Å; Q231-F274 HydrophobicContact CG-CB 4.11Å
232R82.8Confident75.5Confident136 Ų13650.4 Ų50.451%0.51328%0.277SS..Hα-helixtrans-65.2-36.7180-178.761.9179.284.3-1.9112.6F228 L229 G235F228-R232 HydrophobicContact CE1-CB 4.43Å; F228-R232 VanDerWaalsContact O-CB 3.27Å; F228-R232 WeakPolarHBondContact O-CB 3.21Å; F228-R232 PolarHBondContact O-N 3.08Å; L229-R232 PolarHBondContact O-N 3.31Å; R232-G235 PolarHBondContact O-N 2.94Å
233F85.8Confident73.4Confident43 Ų4351 Ų5119%0.18928%0.282CS..Hα-helixtrans-69.4-41.2178.5178.6-104.4000111.9Y106 W109 V110 V113 L229 I230 Q231 G235 Y330Y106-F233 AromaticContact CD2-CE1 3.66Å; Y106-F233 HydrophobicContact CD2-CE1 3.66Å; Y106-F233 AromaticContact CD2-CZ 3.83Å; Y106-F233 HydrophobicContact CD2-CZ 3.83Å; Y106-F233 HydrophobicContact CE2-CE1 4.41Å; Y106-F233 HydrophobicContact CG-CE1 4.32Å; Y106-F233 HydrophobicContact CG-CZ 4.26Å; Y106-F233 WeakPolarHBondContact O-CZ 3.25Å; W109-F233 HydrophobicContact CB-CE2 4.07Å; W109-F233 HydrophobicContact CB-CZ 4.41Å; V110-F233 HydrophobicContact CG2-CE1 3.86Å; V110-F233 HydrophobicContact CG2-CZ 3.78Å; V113-F233 HydrophobicContact CB-CE2 4.33Å; V113-F233 HydrophobicContact CG1-CD2 4.48Å; V113-F233 HydrophobicContact CG1-CG 4.48Å; V113-F233 HydrophobicContact CG2-CD2 3.74Å; V113-F233 HydrophobicContact CG2-CE2 3.55Å; V113-F233 HydrophobicContact CG2-CZ 4.2Å; L229-F233 WeakPolarHBondContact O-CB 3.45Å; L229-F233 PolarHBondContact O-N 2.94Å; I230-F233 PolarHBondContact O-N 3.09Å; Q231-F233 VanDerWaalsContact C-N 3.34Å; Q231-F233 PolarHBondContact O-N 3.47Å; F233-G235 PolarHBondContact O-N 3.5Å; F233-Y330 HydrophobicContact CD1-CE1 4.42Å; F233-Y330 HydrophobicContact CD1-CE2 4.41Å; F233-Y330 AromaticContact CD1-CZ 3.88Å; F233-Y330 WeakPolarHBondContact CD1-OH 3.39Å; F233-Y330 HydrophobicContact CE1-CE2 4.07Å; F233-Y330 AromaticContact CE1-CZ 3.73Å; F233-Y330 WeakPolarHBondContact CE1-OH 3.42Å
234L80.2Confident71.4Confident6 Ų655.4 Ų55.43%0.03130%0.299CS..THydrogen-bonded Turntrans-77.60.1174.7-66.7178.1000113.4Y106 I230 Q231 F236 F274 L293 F294 Y330Y106-L234 HydrophobicContact CE2-CD2 4.34Å; I230-L234 HydrophobicContact CG2-CD1 3.99Å; I230-L234 WeakPolarHBondContact O-CB 3.24Å; I230-L234 WeakPolarHBondContact O-CG 3.44Å; I230-L234 PolarHBondContact O-N 3.27Å; Q231-L234 PolarHBondContact O-N 3.08Å; L234-F236 VanDerWaalsContact C-N 3.31Å; L234-F236 HydrophobicContact CB-CD2 3.81Å; L234-F236 HydrophobicContact CB-CE2 4.12Å; L234-F236 PolarHBondContact O-N 2.95Å; L234-F274 HydrophobicContact CD1-CD1 3.91Å; L234-F274 HydrophobicContact CD1-CD2 4.04Å; L234-F274 HydrophobicContact CD1-CE1 3.7Å; L234-F274 HydrophobicContact CD1-CE2 3.79Å; L234-F274 HydrophobicContact CD1-CG 4.05Å; L234-F274 HydrophobicContact CD1-CZ 3.61Å; L234-L293 HydrophobicContact CB-CD1 4.47Å; L234-L293 HydrophobicContact CB-CD2 4.16Å; L234-L293 WeakPolarHBondContact O-CD1 3.46Å; L234-F294 HydrophobicContact CD1-CZ 3.95Å; L234-F294 HydrophobicContact CD2-CE1 4.05Å; L234-F294 HydrophobicContact CD2-CE2 4.5Å; L234-F294 HydrophobicContact CD2-CZ 3.58Å; L234-F294 HydrophobicContact CG-CZ 4.4Å; L234-Y330 HydrophobicContact CD1-CG 4.31Å; L234-Y330 HydrophobicContact CD2-CD2 4.1Å; L234-Y330 HydrophobicContact CD2-CE2 4.32Å
235G71.2Confident69.6Low25 Ų2562.8 Ų62.826%0.25832%0.317SS..THydrogen-bonded Turntrans73.318179.300000114.9Q231 R232 F233 Y237Q231-G235 PolarHBondContact O-N 2.99Å; Q231-G235 VanDerWaalsContact O-N 3.17Å; R232-G235 PolarHBondContact O-N 2.94Å; F233-G235 PolarHBondContact O-N 3.5Å; G235-Y237 PolarHBondContact O-N 3.3Å
236F64.6Low67.8Low30 Ų3059.4 Ų59.413%0.13230%0.301CS..  trans-78.4118.6166.6-72.6-84000109.5Q231 L234 F274 T277 L293Q231-F236 HydrophobicContact CB-CB 4.41Å; Q231-F236 PolarHBondContact O-N 3.38Å; L234-F236 VanDerWaalsContact C-N 3.31Å; L234-F236 HydrophobicContact CB-CD2 3.81Å; L234-F236 HydrophobicContact CB-CE2 4.12Å; L234-F236 PolarHBondContact O-N 2.95Å; F236-F274 HydrophobicContact CD2-CB 4.07Å; F236-F274 AromaticContact CD2-CD2 3.65Å; F236-F274 HydrophobicContact CD2-CD2 3.65Å; F236-F274 HydrophobicContact CD2-CE2 4.44Å; F236-F274 HydrophobicContact CD2-CG 4.19Å; F236-F274 HydrophobicContact CE1-CD2 4.44Å; F236-F274 HydrophobicContact CE2-CB 4.3Å; F236-F274 AromaticContact CE2-CD2 3.03Å; F236-F274 HydrophobicContact CE2-CD2 3.03Å; F236-F274 AromaticContact CE2-CE2 3.52Å; F236-F274 HydrophobicContact CE2-CE2 3.52Å; F236-F274 AromaticContact CE2-CG 3.99Å; F236-F274 HydrophobicContact CE2-CG 3.99Å; F236-F274 HydrophobicContact CG-CB 4.48Å; F236-F274 AromaticContact CZ-CD2 3.53Å; F236-F274 HydrophobicContact CZ-CD2 3.53Å; F236-F274 AromaticContact CZ-CE2 3.98Å; F236-F274 HydrophobicContact CZ-CE2 3.98Å; F236-T277 HydrophobicContact CE1-CG2 4.35Å; F236-L293 HydrophobicContact CD2-CD2 4.04Å; F236-L293 HydrophobicContact CE2-CD2 3.05Å; F236-L293 HydrophobicContact CZ-CD2 3.46Å; F236-L293 VanDerWaalsContact CZ-CD2 3.46Å
237Y56.1Low66.2Low124 Ų12462.4 Ų62.449%0.48632%0.316SS..  trans-95.2143.8169.2-65.1-85.2000109.5G235 N239 G240 A242G235-Y237 PolarHBondContact O-N 3.3Å; Y237-N239 PolarHBondContact O-N 3.44Å; Y237-N239 VanDerWaalsContact O-N 3.17Å; Y237-G240 PolarHBondContact O-N 3.07Å; Y237-A242 HydrophobicContact CD2-CB 4.02Å; Y237-A242 HydrophobicContact CE2-CB 3.85Å
238S47.8Very low64.4Low86 Ų8665.1 Ų65.160%0.60133%0.329SS*.THydrogen-bonded Turntrans-59.3-23.2175.8-169.60000113
239N46.9Very low62.9Low127 Ų12759.4 Ų59.468%0.67930%0.303SS*.THydrogen-bonded Turntrans-101.626.5-172.5-58.75000112.9Y237 Y263Y237-N239 PolarHBondContact O-N 3.44Å; Y237-N239 VanDerWaalsContact O-N 3.17Å; N239-Y263 PolarHBondContact O-OH 3.43Å
240G47.5Very low61.3Low34 Ų3459 Ų5935%0.35131%0.308SS..SBendtrans96.3143.1-175.800000112.7Y237Y237-G240 PolarHBondContact O-N 3.07Å
241S46.9Very low59.9Low39 Ų3966.4 Ų66.427%0.27334%0.341SS..  trans-74.4141.5-15872.80000114.2S243 R244S241-S243 PolarHBondContact O-N 3.35Å; S241-S243 VanDerWaalsContact O-N 3.1Å; S241-S243 WeakPolarHBondContact OG-CB 3.43Å; S241-S243 PolarHBondContact OG-N 3.02Å; S241-R244 PolarHBondContact O-N 3.15Å; S241-R244 PolarHBondContact OG-N 3.41Å
242A45Very low58.6Low51 Ų5166.6 Ų66.642%0.42134%0.344SS..THydrogen-bonded Turntrans-55.2-22.6161.400000112.3Y237 R244 R245Y237-A242 HydrophobicContact CD2-CB 4.02Å; Y237-A242 HydrophobicContact CE2-CB 3.85Å; A242-R244 PolarHBondContact O-N 3.25Å; A242-R245 PolarHBondContact O-N 3.18Å
243S51.9Low57.3Low27 Ų2766.8 Ų66.819%0.18936%0.36CS..Hα-helixtrans-62.3-21.1174.8174.20000113.5S241 S246 L247 T291S241-S243 PolarHBondContact O-N 3.35Å; S241-S243 VanDerWaalsContact O-N 3.1Å; S241-S243 WeakPolarHBondContact OG-CB 3.43Å; S241-S243 PolarHBondContact OG-N 3.02Å; S243-S246 WeakPolarHBondContact CA-OG 3.42Å; S243-S246 PolarHBondContact O-OG 2.93Å; S243-L247 VanDerWaalsContact O-CB 3.3Å; S243-L247 WeakPolarHBondContact O-CB 3.46Å; S243-L247 PolarHBondContact O-N 3.3Å; S243-T291 WeakPolarHBondContact CB-O 3.2Å; S243-T291 PolarHBondContact OG-O 3.49Å
244R53.5Low55.8Low92 Ų9270.1 Ų70.135%0.34738%0.38SS..Hα-helixtrans-69.4-45.6174.6-78.5-171.3-179.1178.3-1.5113.5S241 A242 S246 L247 Q248 E267S241-R244 PolarHBondContact O-N 3.15Å; S241-R244 PolarHBondContact OG-N 3.41Å; A242-R244 PolarHBondContact O-N 3.25Å; R244-S246 VanDerWaalsContact C-N 3.32Å; R244-S246 PolarHBondContact O-N 3.08Å; R244-L247 PolarHBondContact O-N 3.02Å; R244-Q248 WeakPolarHBondContact O-CG 3.43Å; R244-Q248 PolarHBondContact O-N 3.13Å; R244-E267 IonicContact NH2-OE2 3.5Å; R244-E267 PolarHBondContact NH2-OE2 3.11Å
245R53.7Low54.6Low198 Ų19872.6 Ų72.675%0.74739%0.391SS*.Hα-helixtrans-62.2-41.4177.5-86.7-171.5-177.7167.81111.2A242 L249A242-R245 PolarHBondContact O-N 3.18Å; R245-L249 PolarHBondContact O-N 3.16Å
246S55.7Low53.9Low12 Ų1280.3 Ų80.38%0.08442%0.417CS..Hα-helixtrans-64-45.2175.458.70000111.4R102 S243 R244 Q248 L249R102-S246 PolarHBondContact NE-O 3.41Å; R102-S246 PolarHBondContact NH2-O 3.2Å; S243-S246 WeakPolarHBondContact CA-OG 3.42Å; S243-S246 PolarHBondContact O-OG 2.93Å; R244-S246 VanDerWaalsContact C-N 3.32Å; R244-S246 PolarHBondContact O-N 3.08Å; S246-Q248 PolarHBondContact O-N 2.83Å; S246-L249 PolarHBondContact O-N 3.31Å
247L58.4Low53.4Low62 Ų6280.9 Ų80.933%0.32543%0.428SS..Hα-helixtrans-61.5-40178.3-168.294.3000112.9S243 R244 L249 E290S243-L247 VanDerWaalsContact O-CB 3.3Å; S243-L247 WeakPolarHBondContact O-CB 3.46Å; S243-L247 PolarHBondContact O-N 3.3Å; R244-L247 PolarHBondContact O-N 3.02Å; L247-L249 PolarHBondContact O-N 3.12Å; L247-E290 HydrophobicContact CD1-CB 4.22Å; L247-E290 WeakPolarHBondContact CD1-O 3.26Å
248Q54.5Low53.2Low80 Ų8077 Ų7737%0.37442%0.415SS..Hα-helixtrans-72.4-25.8-176.8-72.1177.8-56.700113.5R244 S246 G250 K251 L261R244-Q248 WeakPolarHBondContact O-CG 3.43Å; R244-Q248 PolarHBondContact O-N 3.13Å; S246-Q248 PolarHBondContact O-N 2.83Å; Q248-G250 PolarHBondContact O-N 3.27Å; Q248-G250 VanDerWaalsContact O-N 3.16Å; Q248-K251 PolarHBondContact O-N 3Å; Q248-K251 VanDerWaalsContact O-N 3.16Å; Q248-L261 HydrophobicContact CB-CD2 3.77Å; Q248-L261 VanDerWaalsContact CD-CD2 3.47Å; Q248-L261 HydrophobicContact CG-CD2 4.22Å
249L56.2Low53.3Low3 Ų377.9 Ų77.92%0.01642%0.421CS..Hα-helixtrans-56.3-32.6-179.5-173.969.9000113.3E97 Y98 R102 R245 S246 L247 F255 L258E97-L249 HydrophobicContact CG-CD1 4.38Å; Y98-L249 HydrophobicContact CD1-CD2 3.74Å; Y98-L249 HydrophobicContact CD2-CD2 3.77Å; Y98-L249 HydrophobicContact CD2-CG 4.35Å; Y98-L249 HydrophobicContact CE1-CD2 3.83Å; Y98-L249 HydrophobicContact CE1-CG 4.27Å; Y98-L249 HydrophobicContact CE2-CD2 3.91Å; Y98-L249 HydrophobicContact CE2-CG 4.03Å; Y98-L249 HydrophobicContact CG-CD2 3.72Å; R102-L249 HydrophobicContact CG-CD2 4.26Å; R245-L249 PolarHBondContact O-N 3.16Å; S246-L249 PolarHBondContact O-N 3.31Å; L247-L249 PolarHBondContact O-N 3.12Å; L249-F255 HydrophobicContact CD1-CE2 4.49Å; L249-L258 HydrophobicContact CD1-CD1 3.96Å; L249-L258 HydrophobicContact CD1-CD2 3.47Å; L249-L258 VanDerWaalsContact CD1-CD2 3.47Å; L249-L258 HydrophobicContact CD1-CG 4.38Å
250G56.8Low53.3Low29 Ų2978 Ų7830%0.29942%0.422SS..THydrogen-bonded Turntrans-83.1-12.8-177.800000116E86 R102 Q248E86-G250 VanDerWaalsContact CD-CA 3.46Å; E86-G250 WeakPolarHBondContact OE1-CA 3.29Å; E86-G250 PolarHBondContact OE1-N 2.89Å; R102-G250 VanDerWaalsContact NH2-N 3.18Å; Q248-G250 PolarHBondContact O-N 3.27Å; Q248-G250 VanDerWaalsContact O-N 3.16Å
251K58.4Low53.5Low156 Ų15679.5 Ų79.568%0.67842%0.422SS*.THydrogen-bonded Turntrans-95.2-10.9-178.6-66.8-173.8178.9179.70113.2Q248Q248-K251 PolarHBondContact O-N 3Å; Q248-K251 VanDerWaalsContact O-N 3.16Å
252V57.1Low53.3Low39 Ų3982.7 Ų82.724%0.23644%0.444CS..  trans-94.4113.1-174.5-179.30000109.2D254 A257 L258V252-D254 WeakPolarHBondContact CG1-O 3.36Å; V252-A257 HydrophobicContact CG1-CB 4.41Å; V252-L258 HydrophobicContact CG2-CD1 4.32Å
253T54.8Low53.1Low139 Ų13986.9 Ų86.985%0.85345%0.45SS*.SBendtrans-74.1-29.9172.947.50000112.4
254D55.6Low52.6Low114 Ų11489.7 Ų89.761%0.6147%0.469SS*.  trans-103.395.4179-76.1-32000111.6V252 K256 A257V252-D254 WeakPolarHBondContact CG1-O 3.36Å; D254-K256 PolarHBondContact O-N 3.42Å; D254-A257 HydrophobicContact CB-CB 4.34Å; D254-A257 WeakPolarHBondContact O-CB 3.43Å; D254-A257 PolarHBondContact O-N 3.43Å
255F54.8Low52Low57 Ų5790 Ų9025%0.2548%0.478CS..G310 helixtrans-50.5-29.4179.7-122.4-121.7000114.1Q94 E97 Y98 L249 A257 L258Q94-F255 HydrophobicContact CB-CE1 4.35Å; Q94-F255 HydrophobicContact CB-CE2 4.44Å; Q94-F255 HydrophobicContact CB-CZ 3.92Å; Q94-F255 HydrophobicContact CG-CD2 4.38Å; Q94-F255 HydrophobicContact CG-CE1 4Å; Q94-F255 HydrophobicContact CG-CE2 3.91Å; Q94-F255 HydrophobicContact CG-CZ 3.71Å; E97-F255 HydrophobicContact CB-CE1 3.51Å; E97-F255 HydrophobicContact CB-CZ 3.77Å; E97-F255 VanDerWaalsContact CD-CD1 3.47Å; E97-F255 HydrophobicContact CG-CE1 3.74Å; E97-F255 HydrophobicContact CG-CZ 3.97Å; E97-F255 WeakPolarHBondContact OE1-CD1 3.37Å; E97-F255 VanDerWaalsContact OE1-CE1 3.26Å; E97-F255 WeakPolarHBondContact OE1-CE1 2.95Å; E97-F255 WeakPolarHBondContact OE2-CD1 3.36Å; E97-F255 WeakPolarHBondContact OE2-CE1 3.3Å; Y98-F255 HydrophobicContact CD2-CZ 4.26Å; Y98-F255 HydrophobicContact CE2-CE2 4.11Å; Y98-F255 HydrophobicContact CE2-CZ 4.13Å; L249-F255 HydrophobicContact CD1-CE2 4.49Å; F255-A257 VanDerWaalsContact C-N 3.31Å; F255-A257 PolarHBondContact O-N 3.29Å; F255-L258 WeakPolarHBondContact O-CB 3.36Å; F255-L258 PolarHBondContact O-N 3.02Å
256K55.9Low51.1Low187 Ų18787.4 Ų87.481%0.81348%0.479SS*.G310 helixtrans-67.3-30.1178.2-143.9175.2-174.3-1790112.9D254 L258 S259D254-K256 PolarHBondContact O-N 3.42Å; K256-L258 PolarHBondContact O-N 3.09Å; K256-S259 PolarHBondContact O-OG 3.3Å; K256-S259 VanDerWaalsContact O-OG 3.08Å
257A53.4Low50.5Low43 Ų4393 Ų9336%0.35550%0.503SS..G310 helixtrans-75.8-7177.500000113.3V252 D254 F255 S259 D260V252-A257 HydrophobicContact CG1-CB 4.41Å; D254-A257 HydrophobicContact CB-CB 4.34Å; D254-A257 WeakPolarHBondContact O-CB 3.43Å; D254-A257 PolarHBondContact O-N 3.43Å; F255-A257 VanDerWaalsContact C-N 3.31Å; F255-A257 PolarHBondContact O-N 3.29Å; A257-S259 VanDerWaalsContact C-N 3.32Å; A257-D260 PolarHBondContact O-N 3.01Å
258L52Low49.6Very low41 Ų4196.4 Ų96.422%0.21552%0.522CS..G310 helixtrans-68.9-31.8176.3-16380.6000112.3E97 L249 V252 F255 K256 D260 L261E97-L258 HydrophobicContact CG-CD2 4.49Å; E97-L258 WeakPolarHBondContact OE1-CD2 3.31Å; L249-L258 HydrophobicContact CD1-CD1 3.96Å; L249-L258 HydrophobicContact CD1-CD2 3.47Å; L249-L258 VanDerWaalsContact CD1-CD2 3.47Å; L249-L258 HydrophobicContact CD1-CG 4.38Å; V252-L258 HydrophobicContact CG2-CD1 4.32Å; F255-L258 WeakPolarHBondContact O-CB 3.36Å; F255-L258 PolarHBondContact O-N 3.02Å; K256-L258 PolarHBondContact O-N 3.09Å; L258-D260 PolarHBondContact O-N 3.12Å; L258-L261 WeakPolarHBondContact O-CB 3.39Å; L258-L261 PolarHBondContact O-N 2.77Å
259S51.4Low49Very low105 Ų10597 Ų9773%0.73453%0.531SS*.THydrogen-bonded Turntrans-68.4-21.8174.865.30000113.4K256 A257K256-S259 PolarHBondContact O-OG 3.3Å; K256-S259 VanDerWaalsContact O-OG 3.08Å; A257-S259 VanDerWaalsContact C-N 3.32Å
260D46.9Very low48.3Very low130 Ų130102.5 Ų102.570%0.69556%0.557SS**THydrogen-bonded Turntrans-92.26.2-179.7-66.7-34000113.2A257 L258 S262A257-D260 PolarHBondContact O-N 3.01Å; L258-D260 PolarHBondContact O-N 3.12Å; D260-S262 VanDerWaalsContact C-N 3.29Å; D260-S262 PolarHBondContact O-N 3.37Å
261L51.1Low47.8Very low66 Ų66102.3 Ų102.335%0.34656%0.555SS.*  trans-72.284.4-177.7-146.581.3000110.7Q248 L258 Y263Q248-L261 HydrophobicContact CB-CD2 3.77Å; Q248-L261 VanDerWaalsContact CD-CD2 3.47Å; Q248-L261 HydrophobicContact CG-CD2 4.22Å; L258-L261 WeakPolarHBondContact O-CB 3.39Å; L258-L261 PolarHBondContact O-N 2.77Å; L261-Y263 PolarHBondContact O-N 3.43Å
262S42.3Very low47.6Very low105 Ų105102.4 Ų102.473%0.73455%0.552SS**  trans-55.8124.3171175.60000110.2D260 S264D260-S262 VanDerWaalsContact C-N 3.29Å; D260-S262 PolarHBondContact O-N 3.37Å; S262-S264 PolarHBondContact O-N 2.88Å
263Y41.2Very low47.9Very low140 Ų140101 Ų10155%0.54955%0.545SS..  trans-52.1110.1166.4-178.9-110.3000108.6N239 L261 D265N239-Y263 PolarHBondContact O-OH 3.43Å; L261-Y263 PolarHBondContact O-N 3.43Å; Y263-D265 HydrophobicContact CD1-CB 3.96Å; Y263-D265 HydrophobicContact CE1-CB 4.07Å; Y263-D265 WeakPolarHBondContact CE1-OD1 3.29Å; Y263-D265 PolarHBondContact O-N 3.46Å; Y263-D265 VanDerWaalsContact O-N 3.11Å
264S40.6Very low48.5Very low85 Ų8594.4 Ų94.459%0.59451%0.505SS*.  trans-75.999.5169.3-173.70000107.6S262 N266S262-S264 PolarHBondContact O-N 2.88Å; S264-N266 PolarHBondContact O-N 3.05Å; S264-N266 VanDerWaalsContact O-N 3.15Å
265D41Very low49Very low98 Ų9889 Ų8952%0.52448%0.476SS..  trans-72.99.4-172.6-143.8-14.5000114Y263Y263-D265 HydrophobicContact CD1-CB 3.96Å; Y263-D265 HydrophobicContact CE1-CB 4.07Å; Y263-D265 WeakPolarHBondContact CE1-OD1 3.29Å; Y263-D265 PolarHBondContact O-N 3.46Å; Y263-D265 VanDerWaalsContact O-N 3.11Å
266N35.9Very low49.7Very low144 Ų14489.8 Ų89.877%0.7748%0.483SS*.  trans-116.219.5-162.4-70.9-13.8000116.1S264S264-N266 PolarHBondContact O-N 3.05Å; S264-N266 VanDerWaalsContact O-N 3.15Å
267E42Very low50.3Low129 Ų12982.5 Ų82.560%0.60345%0.454SS*.  trans-118.384.4158.3-91.4-173.3164.200108.6R244 V269R244-E267 IonicContact NH2-OE2 3.5Å; R244-E267 PolarHBondContact NH2-OE2 3.11Å; E267-V269 HydrophobicContact CB-CG2 4.47Å; E267-V269 PolarHBondContact O-N 2.94Å
268N38.9Very low50.9Low134 Ų13480.6 Ų80.672%0.71744%0.438SS*.  trans-65.453.2159-64.9-29.9000110E270N268-E270 PolarHBondContact O-N 3.17Å
269V41.9Very low51.8Low94 Ų9481.3 Ų81.357%0.5744%0.444SS*.  trans-68.779.2148.1-173.90000103.4E267 G271E267-V269 HydrophobicContact CB-CG2 4.47Å; E267-V269 PolarHBondContact O-N 2.94Å; V269-G271 PolarHBondContact O-N 2.99Å
270E42.9Very low52.6Low117 Ų11780.3 Ų80.355%0.54743%0.43SS..  trans-46.295.9157-70-178.8159.400103.8N268 Y272N268-E270 PolarHBondContact O-N 3.17Å; E270-Y272 HydrophobicContact CB-CD2 4.4Å; E270-Y272 HydrophobicContact CB-CE2 3.92Å; E270-Y272 WeakPolarHBondContact O-CD2 3.33Å; E270-Y272 PolarHBondContact O-N 3.37Å; E270-Y272 PolarHBondContact OE2-OH 3.08Å
271G46.7Very low53.6Low25 Ų2576.4 Ų76.426%0.25841%0.407SS..  trans-68.894-174.300000104.5V269 G273V269-G271 PolarHBondContact O-N 2.99Å; G271-G273 PolarHBondContact O-N 3.25Å
272Y52.7Low54.4Low159 Ų15977.9 Ų77.962%0.62442%0.415SS*.  trans-65.266.3172.6-69.1-85.2000108E270 L276E270-Y272 HydrophobicContact CB-CD2 4.4Å; E270-Y272 HydrophobicContact CB-CE2 3.92Å; E270-Y272 WeakPolarHBondContact O-CD2 3.33Å; E270-Y272 PolarHBondContact O-N 3.37Å; E270-Y272 PolarHBondContact OE2-OH 3.08Å; Y272-L276 WeakPolarHBondContact O-CB 3.18Å
273G63.8Low55.8Low9 Ų983.5 Ų83.59%0.09342%0.42CS..Hα-helixtrans71.5160.2-179.200000117.2G271 G275 L276 T277G271-G273 PolarHBondContact O-N 3.25Å; G273-G275 VanDerWaalsContact C-N 3.35Å; G273-G275 PolarHBondContact O-N 2.71Å; G273-L276 PolarHBondContact O-N 2.88Å; G273-T277 PolarHBondContact O-N 2.64Å; G273-T277 PolarHBondContact O-OG1 2.97Å; G273-T277 VanDerWaalsContact O-OG1 3.13Å
274F66.6Low57.3Low1 Ų179.4 Ų79.40%0.00442%0.415CS..Hα-helixtrans-43.1-56.7169.8165-121.8000112I230 Q231 L234 F236 L276 T277 V278 W288 L293 F294 I331 W334I230-F274 HydrophobicContact CG2-CD1 4.3Å; Q231-F274 HydrophobicContact CG-CB 4.11Å; L234-F274 HydrophobicContact CD1-CD1 3.91Å; L234-F274 HydrophobicContact CD1-CD2 4.04Å; L234-F274 HydrophobicContact CD1-CE1 3.7Å; L234-F274 HydrophobicContact CD1-CE2 3.79Å; L234-F274 HydrophobicContact CD1-CG 4.05Å; L234-F274 HydrophobicContact CD1-CZ 3.61Å; F236-F274 HydrophobicContact CD2-CB 4.07Å; F236-F274 AromaticContact CD2-CD2 3.65Å; F236-F274 HydrophobicContact CD2-CD2 3.65Å; F236-F274 HydrophobicContact CD2-CE2 4.44Å; F236-F274 HydrophobicContact CD2-CG 4.19Å; F236-F274 HydrophobicContact CE1-CD2 4.44Å; F236-F274 HydrophobicContact CE2-CB 4.3Å; F236-F274 AromaticContact CE2-CD2 3.03Å; F236-F274 HydrophobicContact CE2-CD2 3.03Å; F236-F274 AromaticContact CE2-CE2 3.52Å; F236-F274 HydrophobicContact CE2-CE2 3.52Å; F236-F274 AromaticContact CE2-CG 3.99Å; F236-F274 HydrophobicContact CE2-CG 3.99Å; F236-F274 HydrophobicContact CG-CB 4.48Å; F236-F274 AromaticContact CZ-CD2 3.53Å; F236-F274 HydrophobicContact CZ-CD2 3.53Å; F236-F274 AromaticContact CZ-CE2 3.98Å; F236-F274 HydrophobicContact CZ-CE2 3.98Å; F274-L276 PolarHBondContact O-N 2.89Å; F274-T277 WeakPolarHBondContact O-CA 3.46Å; F274-T277 VanDerWaalsContact O-CB 3.29Å; F274-T277 WeakPolarHBondContact O-CB 3.46Å; F274-T277 PolarHBondContact O-N 3.24Å; F274-T277 VanDerWaalsContact O-N 3.11Å; F274-V278 HydrophobicContact CD2-CG2 3.54Å; F274-V278 HydrophobicContact CE1-CG2 4.38Å; F274-V278 HydrophobicContact CE2-CG2 3.25Å; F274-V278 HydrophobicContact CG-CG2 4.29Å; F274-V278 HydrophobicContact CZ-CG2 3.73Å; F274-V278 VanDerWaalsContact O-CG2 3.28Å; F274-V278 WeakPolarHBondContact O-CG2 3.49Å; F274-V278 PolarHBondContact O-N 3.22Å; F274-W288 HydrophobicContact CE2-CH2 4.17Å; F274-W288 HydrophobicContact CE2-CZ3 4.38Å; F274-W288 HydrophobicContact CZ-CH2 4.36Å; F274-L293 HydrophobicContact CE2-CD2 4.41Å; F274-F294 AromaticContact CE2-CE2 3.83Å; F274-F294 HydrophobicContact CE2-CE2 3.83Å; F274-F294 HydrophobicContact CE2-CZ 4.37Å; F274-F294 AromaticContact CZ-CE2 3.83Å; F274-F294 HydrophobicContact CZ-CE2 3.83Å; F274-F294 HydrophobicContact CZ-CZ 4.02Å; F274-I331 HydrophobicContact CE1-CG1 4.29Å; F274-I331 HydrophobicContact CZ-CG1 4.19Å; F274-W334 HydrophobicContact CD1-CB 4.17Å; F274-W334 AromaticContact CD1-CD1 3.89Å; F274-W334 HydrophobicContact CD1-CG 4.08Å
275G67Low58.4Low1 Ų178.4 Ų78.41%0.0142%0.418CS..Hα-helixtrans-65.7-32.5-171.200000115.2G273 V278 V279 W334G273-G275 VanDerWaalsContact C-N 3.35Å; G273-G275 PolarHBondContact O-N 2.71Å; G275-V278 PolarHBondContact O-N 3.28Å; G275-V279 WeakPolarHBondContact O-CG2 3.18Å; G275-V279 PolarHBondContact O-N 3.29Å; G275-W334 VanDerWaalsContact CA-CD2 3.48Å
276L69Low59.3Low73 Ų7379.7 Ų79.738%0.38242%0.415SS..Hα-helixtrans-71-39.1174.2-164.272.2000111.1Y272 G273 F274 V278 V279 N280Y272-L276 WeakPolarHBondContact O-CB 3.18Å; G273-L276 PolarHBondContact O-N 2.88Å; F274-L276 PolarHBondContact O-N 2.89Å; L276-V278 VanDerWaalsContact C-N 3.28Å; L276-V278 PolarHBondContact O-N 2.92Å; L276-V279 PolarHBondContact O-N 3.47Å; L276-N280 WeakPolarHBondContact O-CB 3.4Å; L276-N280 PolarHBondContact O-N 3.13Å; L276-N280 PolarHBondContact O-ND2 3.47Å
277T68.2Low60.1Low33 Ų3378.6 Ų78.620%0.20241%0.41CS..Hα-helixtrans-56.5-48.1172.2-54.30000109.5F236 G273 F274 V279 N280 H281F236-T277 HydrophobicContact CE1-CG2 4.35Å; G273-T277 PolarHBondContact O-N 2.64Å; G273-T277 PolarHBondContact O-OG1 2.97Å; G273-T277 VanDerWaalsContact O-OG1 3.13Å; F274-T277 WeakPolarHBondContact O-CA 3.46Å; F274-T277 VanDerWaalsContact O-CB 3.29Å; F274-T277 WeakPolarHBondContact O-CB 3.46Å; F274-T277 PolarHBondContact O-N 3.24Å; F274-T277 VanDerWaalsContact O-N 3.11Å; T277-V279 PolarHBondContact O-N 3.32Å; T277-N280 PolarHBondContact O-N 2.85Å; T277-H281 PolarHBondContact O-N 3.24Å; T277-H281 PolarHBondContact O-ND1 3.32Å
278V67.7Low60.8Low3 Ų373.6 Ų73.62%0.01839%0.385CS..Hα-helixtrans-60.2-47.4177.8173.10000112.4F274 G275 L276 N280 H281 I282 W288 I331F274-V278 HydrophobicContact CD2-CG2 3.54Å; F274-V278 HydrophobicContact CE1-CG2 4.38Å; F274-V278 HydrophobicContact CE2-CG2 3.25Å; F274-V278 HydrophobicContact CG-CG2 4.29Å; F274-V278 HydrophobicContact CZ-CG2 3.73Å; F274-V278 VanDerWaalsContact O-CG2 3.28Å; F274-V278 WeakPolarHBondContact O-CG2 3.49Å; F274-V278 PolarHBondContact O-N 3.22Å; G275-V278 PolarHBondContact O-N 3.28Å; L276-V278 VanDerWaalsContact C-N 3.28Å; L276-V278 PolarHBondContact O-N 2.92Å; V278-N280 VanDerWaalsContact C-N 3.3Å; V278-N280 PolarHBondContact O-N 2.95Å; V278-H281 PolarHBondContact O-N 3.41Å; V278-H281 VanDerWaalsContact O-N 3.15Å; V278-I282 HydrophobicContact CG1-CD1 3.63Å; V278-I282 HydrophobicContact CG1-CG1 4.26Å; V278-I282 WeakPolarHBondContact O-CG1 3.46Å; V278-I282 PolarHBondContact O-N 3.08Å; V278-W288 HydrophobicContact CB-CH2 3.92Å; V278-W288 HydrophobicContact CB-CZ2 4.27Å; V278-W288 HydrophobicContact CG1-CH2 3.48Å; V278-W288 VanDerWaalsContact CG1-CH2 3.48Å; V278-W288 HydrophobicContact CG1-CZ2 3.35Å; V278-W288 HydrophobicContact CG2-CH2 3.21Å; V278-W288 HydrophobicContact CG2-CZ2 4.03Å; V278-W288 HydrophobicContact CG2-CZ3 3.86Å; V278-I331 HydrophobicContact CG1-CD1 3.96Å; V278-I331 HydrophobicContact CG1-CG1 4.13Å
279V69.7Low61.3Low57 Ų5770.5 Ų70.535%0.34537%0.372SS..Hα-helixtrans-61.2-40.4178.1165.30000111.5G275 L276 T277 H281 I282 R283 F335G275-V279 WeakPolarHBondContact O-CG2 3.18Å; G275-V279 PolarHBondContact O-N 3.29Å; L276-V279 PolarHBondContact O-N 3.47Å; T277-V279 PolarHBondContact O-N 3.32Å; V279-H281 VanDerWaalsContact C-N 3.3Å; V279-H281 PolarHBondContact O-N 3.46Å; V279-I282 PolarHBondContact O-N 2.7Å; V279-R283 WeakPolarHBondContact O-CB 3.23Å; V279-R283 PolarHBondContact O-N 3.28Å; V279-F335 HydrophobicContact CG2-CE1 4.26Å; V279-F335 HydrophobicContact CG2-CE2 4.12Å; V279-F335 HydrophobicContact CG2-CZ 3.39Å
280N69.5Low61.8Low84 Ų8471.1 Ų71.145%0.44937%0.369SS..Hα-helixtrans-64.3-36.6177.3-70.8-17.6000111.7L276 T277 V278 A284L276-N280 WeakPolarHBondContact O-CB 3.4Å; L276-N280 PolarHBondContact O-N 3.13Å; L276-N280 PolarHBondContact O-ND2 3.47Å; T277-N280 PolarHBondContact O-N 2.85Å; V278-N280 VanDerWaalsContact C-N 3.3Å; V278-N280 PolarHBondContact O-N 2.95Å; N280-A284 VanDerWaalsContact O-CB 3.31Å; N280-A284 WeakPolarHBondContact O-CB 3.3Å; N280-A284 PolarHBondContact O-N 2.97Å
281H67.1Low62.6Low47 Ų4766.3 Ų66.322%0.21835%0.348CS..Hα-helixtrans-70-45.1174.9-72.374.9000112T277 V278 V279 R283 A284 G285 R286T277-H281 PolarHBondContact O-N 3.24Å; T277-H281 PolarHBondContact O-ND1 3.32Å; V278-H281 PolarHBondContact O-N 3.41Å; V278-H281 VanDerWaalsContact O-N 3.15Å; V279-H281 VanDerWaalsContact C-N 3.3Å; V279-H281 PolarHBondContact O-N 3.46Å; H281-R283 VanDerWaalsContact C-N 3.35Å; H281-R283 PolarHBondContact O-N 2.88Å; H281-A284 PolarHBondContact O-N 2.94Å; H281-G285 PolarHBondContact O-N 2.95Å; H281-R286 PolarHBondContact O-N 2.7Å; H281-R286 VanDerWaalsContact O-N 3.1Å
282I68.8Low63.5Low97 Ų9765.8 Ų65.850%0.49734%0.339SS..Hα-helixtrans-61.4-43.5176.2-66.3170.4000110.7V278 V279 A284 G285V278-I282 HydrophobicContact CG1-CD1 3.63Å; V278-I282 HydrophobicContact CG1-CG1 4.26Å; V278-I282 WeakPolarHBondContact O-CG1 3.46Å; V278-I282 PolarHBondContact O-N 3.08Å; V279-I282 PolarHBondContact O-N 2.7Å; I282-A284 VanDerWaalsContact C-N 3.31Å; I282-A284 PolarHBondContact O-N 3.28Å; I282-G285 PolarHBondContact O-N 2.97Å
283R70.7Confident64.2Low223 Ų22359.2 Ų59.284%0.84231%0.314SS*.Hα-helixtrans-65.1-35.1177.6-177177.3178.9152.21.7112.3V279 H281 G285V279-R283 WeakPolarHBondContact O-CB 3.23Å; V279-R283 PolarHBondContact O-N 3.28Å; H281-R283 VanDerWaalsContact C-N 3.35Å; H281-R283 PolarHBondContact O-N 2.88Å; R283-G285 PolarHBondContact O-N 3.47Å
284A72.2Confident64.9Low55 Ų5559 Ų5946%0.45531%0.311SS..THydrogen-bonded Turntrans-71.8-4.3173.500000112.9N280 H281 I282 R286N280-A284 VanDerWaalsContact O-CB 3.31Å; N280-A284 WeakPolarHBondContact O-CB 3.3Å; N280-A284 PolarHBondContact O-N 2.97Å; H281-A284 PolarHBondContact O-N 2.94Å; I282-A284 VanDerWaalsContact C-N 3.31Å; I282-A284 PolarHBondContact O-N 3.28Å; A284-R286 HydrophobicContact CB-CG 4.22Å; A284-R286 PolarHBondContact O-N 3.49Å
285G63.7Low65.6Low63 Ų6359.6 Ų59.665%0.64932%0.315SS*.THydrogen-bonded Turntrans6618.5-175.700000113.1H281 I282 R283H281-G285 PolarHBondContact O-N 2.95Å; I282-G285 PolarHBondContact O-N 2.97Å; R283-G285 PolarHBondContact O-N 3.47Å
286R59.5Low66.6Low125 Ų12565.9 Ų65.947%0.47234%0.338SS..  trans-86120.5177.2-70.3-166-73.3-123.33.6109H281 A284H281-R286 PolarHBondContact O-N 2.7Å; H281-R286 VanDerWaalsContact O-N 3.1Å; A284-R286 HydrophobicContact CB-CG 4.22Å; A284-R286 PolarHBondContact O-N 3.49Å
287D54.3Low67.5Low121 Ų12165.4 Ų65.465%0.64734%0.338SS*.  trans-66.5156.6168.9-79.8-45.4000110.3P289D287-P289 HydrophobicContact CB-CG 4.38Å; D287-P289 WeakPolarHBondContact O-CD 3.35Å
288W55.3Low68.6Low25 Ų2563.8 Ų63.810%0.09533%0.328CS..G310 helixtrans-62.4-11.6-177.2-65.588.3000119.1F274 V278 E290 T291 F294 E327 I331F274-W288 HydrophobicContact CE2-CH2 4.17Å; F274-W288 HydrophobicContact CE2-CZ3 4.38Å; F274-W288 HydrophobicContact CZ-CH2 4.36Å; V278-W288 HydrophobicContact CB-CH2 3.92Å; V278-W288 HydrophobicContact CB-CZ2 4.27Å; V278-W288 HydrophobicContact CG1-CH2 3.48Å; V278-W288 VanDerWaalsContact CG1-CH2 3.48Å; V278-W288 HydrophobicContact CG1-CZ2 3.35Å; V278-W288 HydrophobicContact CG2-CH2 3.21Å; V278-W288 HydrophobicContact CG2-CZ2 4.03Å; V278-W288 HydrophobicContact CG2-CZ3 3.86Å; W288-E290 PolarHBondContact O-N 3.09Å; W288-T291 HydrophobicContact CE3-CG2 4.29Å; W288-T291 PolarHBondContact O-N 3.42Å; W288-T291 PolarHBondContact O-OG1 3.24Å; W288-T291 VanDerWaalsContact O-OG1 3.08Å; W288-F294 AromaticContact CE3-CD2 3.9Å; W288-F294 HydrophobicContact CE3-CD2 3.9Å; W288-F294 HydrophobicContact CH2-CD2 4.08Å; W288-F294 HydrophobicContact CH2-CE2 4.15Å; W288-F294 AromaticContact CZ3-CD2 3.58Å; W288-F294 HydrophobicContact CZ3-CD2 3.58Å; W288-F294 AromaticContact CZ3-CE2 3.9Å; W288-F294 HydrophobicContact CZ3-CE2 3.9Å; W288-E327 HydrophobicContact CH2-CG 4.35Å; W288-E327 HydrophobicContact CZ2-CG 3.99Å; W288-E327 PolarHBondContact NE1-OE1 3.1Å; W288-I331 HydrophobicContact CH2-CD1 4.26Å; W288-I331 HydrophobicContact CZ2-CD1 3.76Å
289P49.6Very low69.7Low68 Ų6866.3 Ų66.344%0.44234%0.338SS..G310 helixtrans-49.9-32.5-178.4-3036.1000114.2D287 T291 M292D287-P289 HydrophobicContact CB-CG 4.38Å; D287-P289 WeakPolarHBondContact O-CD 3.35Å; P289-T291 PolarHBondContact O-N 3.46Å; P289-M292 PolarHBondContact O-N 2.84Å
290E52.2Low70.8Confident107 Ų10763.8 Ų63.850%0.532%0.323SS..G310 helixtrans-71.3-32.2-178.7-65.2-175.5170.400113.7L247 W288 M292L247-E290 HydrophobicContact CD1-CB 4.22Å; L247-E290 WeakPolarHBondContact CD1-O 3.26Å; W288-E290 PolarHBondContact O-N 3.09Å; E290-M292 PolarHBondContact O-N 3.06Å
291T60.5Low71.8Confident16 Ų1661.8 Ų61.810%0.09831%0.309CS..G310 helixtrans-73.7-18.4-177.5640000112.8S243 W288 P289 L293S243-T291 WeakPolarHBondContact CB-O 3.2Å; S243-T291 PolarHBondContact OG-O 3.49Å; W288-T291 HydrophobicContact CE3-CG2 4.29Å; W288-T291 PolarHBondContact O-N 3.42Å; W288-T291 PolarHBondContact O-OG1 3.24Å; W288-T291 VanDerWaalsContact O-OG1 3.08Å; P289-T291 PolarHBondContact O-N 3.46Å; T291-L293 PolarHBondContact O-N 3.23Å
292M65.9Low72.8Confident14 Ų1459.7 Ų59.77%0.06930%0.299CS..  trans53.212.1-173.6-64.3-65.4178.900114.6P81 A83 I104 P289 E290P81-M292 HydrophobicContact CB-SD 3.66Å; P81-M292 HydrophobicContact CG-CB 4.12Å; P81-M292 HydrophobicContact CG-SD 4.01Å; A83-M292 VanDerWaalsContact CA-CE 3.42Å; A83-M292 HydrophobicContact CB-CE 3.52Å; I104-M292 WeakPolarHBondContact CD1-O 3.34Å; P289-M292 PolarHBondContact O-N 2.84Å; E290-M292 PolarHBondContact O-N 3.06Å
293L67.6Low73.6Confident22 Ų2257.9 Ų57.912%0.11529%0.294CS..SBendtrans-90.5-44.1-172.8179.464.2000111.9Y106 L234 F236 F274 T291 P295Y106-L293 HydrophobicContact CE1-CD1 4.36Å; Y106-L293 PolarHBondContact OH-O 3.33Å; L234-L293 HydrophobicContact CB-CD1 4.47Å; L234-L293 HydrophobicContact CB-CD2 4.16Å; L234-L293 WeakPolarHBondContact O-CD1 3.46Å; F236-L293 HydrophobicContact CD2-CD2 4.04Å; F236-L293 HydrophobicContact CE2-CD2 3.05Å; F236-L293 HydrophobicContact CZ-CD2 3.46Å; F236-L293 VanDerWaalsContact CZ-CD2 3.46Å; F274-L293 HydrophobicContact CE2-CD2 4.41Å; T291-L293 PolarHBondContact O-N 3.23Å; L293-P295 WeakPolarHBondContact O-CD 3.2Å
294F77.5Confident73.6Confident4 Ų447.9 Ų47.92%0.01826%0.26CS..SBendtrans-11260.4174.4-60.2-86.7000111.3Y106 L234 F274 W288 R296 N323 E327 Y330Y106-F294 WeakPolarHBondContact OH-CD1 3.27Å; Y106-F294 WeakPolarHBondContact OH-CE1 3.14Å; L234-F294 HydrophobicContact CD1-CZ 3.95Å; L234-F294 HydrophobicContact CD2-CE1 4.05Å; L234-F294 HydrophobicContact CD2-CE2 4.5Å; L234-F294 HydrophobicContact CD2-CZ 3.58Å; L234-F294 HydrophobicContact CG-CZ 4.4Å; F274-F294 AromaticContact CE2-CE2 3.83Å; F274-F294 HydrophobicContact CE2-CE2 3.83Å; F274-F294 HydrophobicContact CE2-CZ 4.37Å; F274-F294 AromaticContact CZ-CE2 3.83Å; F274-F294 HydrophobicContact CZ-CE2 3.83Å; F274-F294 HydrophobicContact CZ-CZ 4.02Å; W288-F294 AromaticContact CE3-CD2 3.9Å; W288-F294 HydrophobicContact CE3-CD2 3.9Å; W288-F294 HydrophobicContact CH2-CD2 4.08Å; W288-F294 HydrophobicContact CH2-CE2 4.15Å; W288-F294 AromaticContact CZ3-CD2 3.58Å; W288-F294 HydrophobicContact CZ3-CD2 3.58Å; W288-F294 AromaticContact CZ3-CE2 3.9Å; W288-F294 HydrophobicContact CZ3-CE2 3.9Å; F294-R296 PolarHBondContact O-N 3.12Å; F294-N323 WeakPolarHBondContact CA-ND2 3.28Å; F294-N323 WeakPolarHBondContact CD1-OD1 3.3Å; F294-E327 HydrophobicContact CB-CB 4.25Å; F294-E327 HydrophobicContact CB-CG 4.2Å; F294-E327 HydrophobicContact CD1-CB 3.61Å; F294-E327 HydrophobicContact CD1-CG 4.12Å; F294-E327 HydrophobicContact CD2-CB 4.47Å; F294-E327 HydrophobicContact CD2-CG 4.08Å; F294-E327 HydrophobicContact CE1-CB 4.07Å; F294-E327 HydrophobicContact CE2-CG 4.5Å; F294-E327 HydrophobicContact CG-CB 3.87Å; F294-E327 HydrophobicContact CG-CG 3.88Å; F294-Y330 HydrophobicContact CE1-CD2 4.49Å
295P82.3Confident73.6Confident13 Ų1347 Ų478%0.08425%0.247CC..  trans-64.9131.6177.529.1-36.7000111.8P81 I104 L293 N323P81-P295 HydrophobicContact CB-CB 3.75Å; P81-P295 HydrophobicContact CB-CG 3.9Å; P81-P295 HydrophobicContact CG-CG 4.4Å; I104-P295 HydrophobicContact CD1-CG 3.72Å; L293-P295 WeakPolarHBondContact O-CD 3.2Å; P295-N323 WeakPolarHBondContact CD-ND2 3.3Å; P295-N323 PolarHBondContact O-ND2 3.19Å
296R86.4Confident73.9Confident134 Ų13455.7 Ų55.751%0.50626%0.26SS..SBendtrans-80.8-27.3173.2-62.2-178.6-173.8165.66.1111.9F294 A319 L320F294-R296 PolarHBondContact O-N 3.12Å; R296-A319 WeakPolarHBondContact O-CA 3.36Å; R296-L320 PolarHBondContact O-N 3.13Å
297V88.3Confident74.3Confident62 Ų6253.7 Ų53.738%0.37626%0.259SS..EExtended strand (participates in β ladder)trans-126.1131.9178.1-179.90000108Q317 C318V297-Q317 HydrophobicContact CG1-CG 3.69Å; V297-C318 WeakPolarHBondContact CA-O 3.1Å
298A91Very high75.2Confident0 Ų055.5 Ų55.50%027%0.274CS..EExtended strand (participates in β ladder)trans-141.8159.5177.200000110.2T79 C318 L320T79-A298 HydrophobicContact CG2-CB 4.4Å; T79-A298 WeakPolarHBondContact OG1-CB 3.4Å; A298-C318 PolarHBondContact N-O 3.49Å; A298-C318 PolarHBondContact O-N 3.47Å; A298-L320 HydrophobicContact CB-CD1 4.43Å
299Y92.2Very high75.8Confident56 Ų5658.2 Ų58.222%0.2231%0.309CS..EExtended strand (participates in β ladder)trans-107.3148-177.5-62.2-93000110.3I80 L82 A316 Q317I80-Y299 PolarHBondContact N-O 2.99Å; I80-Y299 PolarHBondContact O-N 3.23Å; L82-Y299 HydrophobicContact CB-CD2 3.94Å; L82-Y299 HydrophobicContact CB-CE2 3.81Å; L82-Y299 HydrophobicContact CD1-CD2 3.48Å; L82-Y299 VanDerWaalsContact CD1-CD2 3.48Å; L82-Y299 HydrophobicContact CD1-CE2 3.71Å; L82-Y299 HydrophobicContact CD1-CG 3.93Å; L82-Y299 HydrophobicContact CG-CD2 3.61Å; L82-Y299 HydrophobicContact CG-CE2 3.96Å; L82-Y299 HydrophobicContact CG-CG 4.41Å; Y299-A316 WeakPolarHBondContact CA-O 3.32Å; Y299-Q317 HydrophobicContact CD1-CB 4.27Å; Y299-Q317 HydrophobicContact CD1-CG 4.47Å; Y299-Q317 HydrophobicContact CE1-CB 4.04Å; Y299-Q317 HydrophobicContact CE1-CG 3.94Å
300C92.4Very high77.1Confident4 Ų458.8 Ų58.83%0.02731%0.312CS..EExtended strand (participates in β ladder)trans-134.4129.6179.2167.50000109C74 T79 T315 A316C74-C300 WeakPolarHBondContact CA-SG 3.02Å; C74-C300 HydrophobicContact CB-CB 3.6Å; C74-C300 WeakPolarHBondContact CB-SG 3.26Å; C74-C300 WeakPolarHBondContact SG-CB 3.47Å; C74-C300 CovalentContact SG-SG 2.03Å; C74-C300 PolarHBondContact SG-SG 2.72Å; T79-C300 HydrophobicContact CG2-CB 4.42Å; C300-T315 CarbonylContact O-C 3.6Å; C300-T315 WeakPolarHBondContact O-CA 3.34Å; C300-A316 PolarHBondContact N-O 3.22Å; C300-A316 PolarHBondContact O-N 3.35Å
301R90.3Very high78.3Confident42 Ų4261.5 Ų61.516%0.15832%0.322CS..EExtended strand (participates in β ladder)trans-106.4122.7175.4-171.6167.2-170.7-140.1-5.6109.8E92 W95 P303 S313 Y314 T315E92-R301 IonicContact OE1-CZ 2.85Å; E92-R301 IonicContact OE1-NH1 3.95Å; E92-R301 PolarHBondContact OE1-NH1 2.94Å; E92-R301 IonicContact OE2-CZ 3.38Å; E92-R301 IonicContact OE2-NH1 3.03Å; E92-R301 PolarHBondContact OE2-NH1 2.88Å; E92-R301 IonicContact OE2-NH2 3.17Å; E92-R301 PolarHBondContact OE2-NH2 3.34Å; W95-R301 VanDerWaalsContact CD1-CZ 3.5Å; W95-R301 HydrophobicContact CD2-CB 4.29Å; W95-R301 VanDerWaalsContact CD2-CD 3.46Å; W95-R301 HydrophobicContact CE3-CB 4.15Å; W95-R301 VanDerWaalsContact CG-NH1 3.33Å; W95-R301 HydrophobicContact CZ3-CB 4.37Å; R301-P303 VanDerWaalsContact O-CD 3.23Å; R301-P303 WeakPolarHBondContact O-CD 3.28Å; R301-S313 PolarHBondContact NH2-OG 2.89Å; R301-Y314 WeakPolarHBondContact CA-O 3.49Å; R301-T315 HydrophobicContact CB-CG2 4.23Å; R301-T315 HydrophobicContact CG-CG2 3.94Å
302V89.1Confident79.3Confident2 Ų263.9 Ų63.91%0.01233%0.334CS..EExtended strand (participates in β ladder)trans-99101.5173.1-172.80000107.9L70 Y73 G304 I305 S313 Y314L70-V302 HydrophobicContact CD1-CG2 3.47Å; L70-V302 VanDerWaalsContact CD1-CG2 3.47Å; Y73-V302 HydrophobicContact CD1-CB 4.33Å; Y73-V302 HydrophobicContact CD1-CG1 4.18Å; Y73-V302 HydrophobicContact CD1-CG2 3.58Å; Y73-V302 HydrophobicContact CE1-CB 4.21Å; Y73-V302 HydrophobicContact CE1-CG1 4.07Å; Y73-V302 HydrophobicContact CE1-CG2 3.87Å; Y73-V302 HydrophobicContact CE2-CG1 4.4Å; Y73-V302 HydrophobicContact CG-CG1 4.41Å; Y73-V302 HydrophobicContact CG-CG2 4.29Å; V302-G304 PolarHBondContact O-N 2.87Å; V302-I305 HydrophobicContact CG1-CG1 4.23Å; V302-S313 WeakPolarHBondContact O-CA 3.39Å; V302-Y314 PolarHBondContact N-O 3.26Å; V302-Y314 PolarHBondContact O-N 2.89Å; V302-Y314 VanDerWaalsContact O-N 3.08Å
303P83.7Confident80.2Confident59 Ų5965.9 Ų65.938%0.38335%0.349SS..EExtended strand (participates in β ladder)trans-73.3121177.829.4-33.5000110.4Y73 R301Y73-P303 WeakPolarHBondContact OH-CD 3.47Å; R301-P303 VanDerWaalsContact O-CD 3.23Å; R301-P303 WeakPolarHBondContact O-CD 3.28Å
304G71.8Confident81.2Confident13 Ų1366.4 Ų66.413%0.13435%0.35CS..EExtended strand (participates in β ladder)trans63.862.2156.300000115.3V302 R306 N312V302-G304 PolarHBondContact O-N 2.87Å; G304-R306 PolarHBondContact O-N 3.38Å; G304-N312 VanDerWaalsContact CA-O 3.24Å; G304-N312 WeakPolarHBondContact CA-O 3.29Å; G304-N312 PolarHBondContact N-O 3.2Å; G304-N312 VanDerWaalsContact N-O 3.09Å
305I71.8Confident81.8Confident37 Ų3768.4 Ų68.419%0.1936%0.363CS..EExtended strand (participates in β ladder)trans-54.7114.8156.4-58.7173.3000105.9F66 V302 L307 Y314F66-I305 HydrophobicContact CD2-CD1 4.28Å; F66-I305 HydrophobicContact CE2-CD1 3.31Å; F66-I305 HydrophobicContact CZ-CD1 3.92Å; V302-I305 HydrophobicContact CG1-CG1 4.23Å; I305-L307 HydrophobicContact CG2-CG 4.33Å; I305-L307 PolarHBondContact O-N 3.16Å; I305-Y314 HydrophobicContact CB-CE2 4.47Å; I305-Y314 HydrophobicContact CD1-CD2 3.59Å; I305-Y314 HydrophobicContact CD1-CE2 3.68Å; I305-Y314 HydrophobicContact CG1-CD2 4.21Å; I305-Y314 HydrophobicContact CG1-CE2 4.32Å
306R70Confident82.3Confident245 Ų24567.9 Ų67.993%0.92536%0.359SS*.EExtended strand (participates in β ladder)trans-73.883.5-177.1-65.2-175.6-178.6-178.60.2108.6G304G304-R306 PolarHBondContact O-N 3.38Å
307L69Low82.6Confident84 Ų8465.5 Ų65.544%0.4435%0.354SS..EExtended strand (participates in β ladder)trans-79.3147.6161.1-66.7163000107.6I305 G309 V310I305-L307 HydrophobicContact CG2-CG 4.33Å; I305-L307 PolarHBondContact O-N 3.16Å; L307-G309 PolarHBondContact O-N 2.97Å; L307-V310 PolarHBondContact O-N 3.27Å
308V71.2Confident82.8Confident158 Ų15862.6 Ų62.696%0.95834%0.336SS*.THydrogen-bonded Turntrans-56.2116.5-179.5-179.60000109.2V310V308-V310 PolarHBondContact O-N 2.92Å
309G69.8Low82.9Confident82 Ų8264.7 Ų64.785%0.84535%0.354SS*.THydrogen-bonded Turntrans85.1-8.117300000117.6L307L307-G309 PolarHBondContact O-N 2.97Å
310V76.3Confident82.8Confident81 Ų8162.2 Ų62.249%0.49134%0.344SS..EExtended strand (participates in β ladder)trans-140.1131.4-178.2-174.50000111.7L307 V308 N312L307-V310 PolarHBondContact O-N 3.27Å; V308-V310 PolarHBondContact O-N 2.92Å; V310-N312 VanDerWaalsContact CG1-OD1 3.29Å; V310-N312 WeakPolarHBondContact CG1-OD1 3.4Å
311K76.1Confident82.6Confident164 Ų16466 Ų6671%0.71337%0.369SS*.EExtended strand (participates in β ladder)trans-10099.8171.6-172-174178.9-172.80109.5
312N82Confident82.6Confident66 Ų6664.3 Ų64.335%0.35336%0.363SS..EExtended strand (participates in β ladder)trans-99135.8173.6-70.4-26.2000110.7G304 V310 Y314G304-N312 VanDerWaalsContact CA-O 3.24Å; G304-N312 WeakPolarHBondContact CA-O 3.29Å; G304-N312 PolarHBondContact N-O 3.2Å; G304-N312 VanDerWaalsContact N-O 3.09Å; V310-N312 VanDerWaalsContact CG1-OD1 3.29Å; V310-N312 WeakPolarHBondContact CG1-OD1 3.4Å; N312-Y314 HydrophobicContact CB-CE2 3.82Å
313S84.9Confident82.5Confident56 Ų5664.3 Ų64.339%0.39236%0.363SS..EExtended strand (participates in β ladder)trans-98.5133.1167.8640000109.9R301 V302R301-S313 PolarHBondContact NH2-OG 2.89Å; V302-S313 WeakPolarHBondContact O-CA 3.39Å
314Y88.7Confident82.6Confident32 Ų3266.3 Ų66.313%0.12537%0.368CS..EExtended strand (participates in β ladder)trans-110.6139.3177.8-66.1-83.2000109.7I57 R301 V302 I305 N312I57-Y314 HydrophobicContact CD1-CD1 3.81Å; I57-Y314 HydrophobicContact CD1-CG 4.15Å; R301-Y314 WeakPolarHBondContact CA-O 3.49Å; V302-Y314 PolarHBondContact N-O 3.26Å; V302-Y314 PolarHBondContact O-N 2.89Å; V302-Y314 VanDerWaalsContact O-N 3.08Å; I305-Y314 HydrophobicContact CB-CE2 4.47Å; I305-Y314 HydrophobicContact CD1-CD2 3.59Å; I305-Y314 HydrophobicContact CD1-CE2 3.68Å; I305-Y314 HydrophobicContact CG1-CD2 4.21Å; I305-Y314 HydrophobicContact CG1-CE2 4.32Å; N312-Y314 HydrophobicContact CB-CE2 3.82Å
315T90.3Very high83.5Confident47 Ų4768.3 Ų68.329%0.28838%0.375SS..EExtended strand (participates in β ladder)trans-119.1122.3177.550.60000109.2M88 W95 C300 R301M88-T315 HydrophobicContact CE-CG2 3.6Å; M88-T315 WeakPolarHBondContact CE-OG1 3.29Å; W95-T315 HydrophobicContact CH2-CG2 4.48Å; W95-T315 HydrophobicContact CZ2-CG2 3.82Å; C300-T315 CarbonylContact O-C 3.6Å; C300-T315 WeakPolarHBondContact O-CA 3.34Å; R301-T315 HydrophobicContact CB-CG2 4.23Å; R301-T315 HydrophobicContact CG-CG2 3.94Å
316A92.3Very high84.4Confident1 Ų166.5 Ų66.51%0.00837%0.366CS..EExtended strand (participates in β ladder)trans-110.8146.1-179.500000110.8C55 Y56 L70 Y299 C300C55-A316 HydrophobicContact CB-CB 4.31Å; Y56-A316 WeakPolarHBondContact O-CA 3.47Å; L70-A316 HydrophobicContact CD1-CB 3.98Å; L70-A316 HydrophobicContact CD2-CB 3.8Å; L70-A316 HydrophobicContact CG-CB 4.14Å; Y299-A316 WeakPolarHBondContact CA-O 3.32Å; C300-A316 PolarHBondContact N-O 3.22Å; C300-A316 PolarHBondContact O-N 3.35Å
317Q92.7Very high85.2Confident85 Ų8554.9 Ų54.940%0.39732%0.323SS..EExtended strand (participates in β ladder)trans-98119.3169.4-175.9-178.916.800108.1C55 Y56 V297 Y299C55-Q317 WeakPolarHBondContact CA-O 3.02Å; Y56-Q317 PolarHBondContact N-O 2.71Å; Y56-Q317 PolarHBondContact O-N 3.46Å; V297-Q317 HydrophobicContact CG1-CG 3.69Å; Y299-Q317 HydrophobicContact CD1-CB 4.27Å; Y299-Q317 HydrophobicContact CD1-CG 4.47Å; Y299-Q317 HydrophobicContact CE1-CB 4.04Å; Y299-Q317 HydrophobicContact CE1-CG 3.94Å
318C93.7Very high86.1Confident0 Ų055.8 Ų55.80%032%0.323CS..EExtended strand (participates in β ladder)trans-116.1132-175.4-560000111.3I53 S54 C55 V297 A298 L320I53-C318 HydrophobicContact CD1-CB 3.78Å; I53-C318 HydrophobicContact CG1-CB 3.89Å; S54-C318 CarbonylContact O-C 3.58Å; S54-C318 VanDerWaalsContact O-CA 3.31Å; S54-C318 WeakPolarHBondContact O-CA 3.21Å; C55-C318 HydrophobicContact CB-CB 4.13Å; C55-C318 WeakPolarHBondContact CB-SG 3.17Å; C55-C318 WeakPolarHBondContact SG-CB 3.28Å; C55-C318 CovalentContact SG-SG 2.05Å; C55-C318 PolarHBondContact SG-SG 3.12Å; V297-C318 WeakPolarHBondContact CA-O 3.1Å; A298-C318 PolarHBondContact N-O 3.49Å; A298-C318 PolarHBondContact O-N 3.47Å; C318-L320 HydrophobicContact CB-CD1 4.01Å
319A92.3Very high87.2Confident45 Ų4549.1 Ų49.137%0.37228%0.282SS..EExtended strand (participates in β ladder)trans-87.1134.7167.200000109.5S54 R296 P321S54-A319 PolarHBondContact N-O 2.73Å; S54-A319 PolarHBondContact O-N 3.45Å; R296-A319 WeakPolarHBondContact O-CA 3.36Å; A319-P321 VanDerWaalsContact O-CD 3.27Å; A319-P321 WeakPolarHBondContact O-CD 3.18Å
320L89.8Confident88.2Confident4 Ų445.3 Ų45.32%0.02124%0.242CC..  trans-116.481.1-178.1-89.367.5000111.5I53 T79 Y107 R296 A298 C318 I322 N323I53-L320 HydrophobicContact CD1-CD1 3.81Å; I53-L320 HydrophobicContact CG1-CD1 3.91Å; T79-L320 HydrophobicContact CG2-CD1 4.36Å; Y107-L320 HydrophobicContact CD2-CD2 4.01Å; Y107-L320 HydrophobicContact CE2-CD2 3.61Å; R296-L320 PolarHBondContact O-N 3.13Å; A298-L320 HydrophobicContact CB-CD1 4.43Å; C318-L320 HydrophobicContact CB-CD1 4.01Å; L320-I322 VanDerWaalsContact C-N 3.28Å; L320-I322 PolarHBondContact O-N 3.42Å; L320-N323 HydrophobicContact CB-CB 4.11Å; L320-N323 WeakPolarHBondContact O-CB 3.36Å; L320-N323 PolarHBondContact O-N 3.42Å
321P89.5Confident88.8Confident83 Ų8342.7 Ų42.754%0.53923%0.225SC..Hα-helixtrans-61.4-33176.4-23.233.3000113.8A319 N323 M324 L325A319-P321 VanDerWaalsContact O-CD 3.27Å; A319-P321 WeakPolarHBondContact O-CD 3.18Å; P321-N323 PolarHBondContact O-N 2.96Å; P321-M324 WeakPolarHBondContact O-CB 3.46Å; P321-M324 PolarHBondContact O-N 2.92Å; P321-L325 PolarHBondContact O-N 3.48Å
322I89.4Confident89.6Confident7 Ų739.5 Ų39.54%0.03621%0.211CC..Hα-helixtrans-59.2-29.9178.7-166.1169.9000112Q47 W75 L320 L325 N326Q47-I322 HydrophobicContact CB-CD1 4.03Å; Q47-I322 HydrophobicContact CG-CD1 4.41Å; W75-I322 HydrophobicContact CH2-CD1 3.94Å; W75-I322 HydrophobicContact CH2-CG2 3.94Å; W75-I322 HydrophobicContact CZ3-CG2 3.92Å; L320-I322 VanDerWaalsContact C-N 3.28Å; L320-I322 PolarHBondContact O-N 3.42Å; I322-L325 WeakPolarHBondContact O-CB 2.94Å; I322-L325 PolarHBondContact O-N 3.35Å; I322-N326 VanDerWaalsContact O-CG 3.23Å; I322-N326 PolarHBondContact O-N 2.82Å; I322-N326 PolarHBondContact O-ND2 2.9Å
323N86.5Confident90.2Very high1 Ų136.4 Ų36.41%0.00519%0.194CC..Hα-helixtrans-71.6-37.6-178.3-162.215.5000112.3Y106 Y107 F294 P295 L320 P321 L325 N326 E327Y106-N323 PolarHBondContact OH-OD1 3.5Å; Y106-N323 VanDerWaalsContact OH-OD1 3.1Å; Y107-N323 HydrophobicContact CE1-CB 3.97Å; Y107-N323 WeakPolarHBondContact CE1-OD1 3.44Å; Y107-N323 PolarHBondContact OH-ND2 3.42Å; F294-N323 WeakPolarHBondContact CA-ND2 3.28Å; F294-N323 WeakPolarHBondContact CD1-OD1 3.3Å; P295-N323 WeakPolarHBondContact CD-ND2 3.3Å; P295-N323 PolarHBondContact O-ND2 3.19Å; L320-N323 HydrophobicContact CB-CB 4.11Å; L320-N323 WeakPolarHBondContact O-CB 3.36Å; L320-N323 PolarHBondContact O-N 3.42Å; P321-N323 PolarHBondContact O-N 2.96Å; N323-L325 VanDerWaalsContact C-N 3.26Å; N323-L325 PolarHBondContact O-N 3.35Å; N323-N326 PolarHBondContact O-N 2.68Å; N323-E327 WeakPolarHBondContact O-CB 3.19Å; N323-E327 PolarHBondContact O-N 3.37Å
324M86.9Confident90.5Very high101 Ų10134.8 Ų34.850%0.49818%0.18SC..Hα-helixtrans-60.9-38.6172.6-177.5179.6170.200111.2P321 K328P321-M324 WeakPolarHBondContact O-CB 3.46Å; P321-M324 PolarHBondContact O-N 2.92Å; M324-K328 WeakPolarHBondContact O-CG 3.43Å; M324-K328 PolarHBondContact O-N 3.39Å
325L90.2Very high90.7Very high55 Ų5537.5 Ų37.529%0.28819%0.192SC..Hα-helixtrans-66.4-48.4175.3178.661.8000111.4I42 V43 K46 P321 I322 N323 E327 K328 I329I42-L325 HydrophobicContact CG2-CD2 4.37Å; V43-L325 HydrophobicContact CG2-CD2 4.38Å; K46-L325 HydrophobicContact CG-CD2 4.2Å; P321-L325 PolarHBondContact O-N 3.48Å; I322-L325 WeakPolarHBondContact O-CB 2.94Å; I322-L325 PolarHBondContact O-N 3.35Å; N323-L325 VanDerWaalsContact C-N 3.26Å; N323-L325 PolarHBondContact O-N 3.35Å; L325-E327 VanDerWaalsContact C-N 3.32Å; L325-E327 PolarHBondContact O-N 3.46Å; L325-K328 PolarHBondContact O-N 2.97Å; L325-I329 HydrophobicContact CD1-CD1 3.87Å; L325-I329 HydrophobicContact CD1-CG1 4.28Å; L325-I329 HydrophobicContact CD2-CD1 4.32Å; L325-I329 HydrophobicContact CG-CD1 3.65Å; L325-I329 HydrophobicContact CG-CG1 4.45Å; L325-I329 WeakPolarHBondContact O-CG1 3.44Å; L325-I329 PolarHBondContact O-N 3.49Å
326N90.3Very high90.9Very high0 Ų037.9 Ų37.90%019%0.189CC..Hα-helixtrans-60.4-40.4179.4-68.5-20.3000112.2I322 N323 K328 I329 Y330I322-N326 VanDerWaalsContact O-CG 3.23Å; I322-N326 PolarHBondContact O-N 2.82Å; I322-N326 PolarHBondContact O-ND2 2.9Å; N323-N326 PolarHBondContact O-N 2.68Å; N326-K328 VanDerWaalsContact C-N 3.34Å; N326-K328 PolarHBondContact O-N 2.98Å; N326-I329 PolarHBondContact O-N 3.11Å; N326-Y330 HydrophobicContact CB-CD2 4.29Å; N326-Y330 HydrophobicContact CB-CE2 4.31Å; N326-Y330 WeakPolarHBondContact O-CD2 3.41Å; N326-Y330 PolarHBondContact O-N 3.39Å
327E87Confident91Very high1 Ų137.8 Ų37.81%0.00519%0.188CC..Hα-helixtrans-51.7-52.5174-171.3-156.6133.800110.7W288 F294 N323 L325 I331W288-E327 HydrophobicContact CH2-CG 4.35Å; W288-E327 HydrophobicContact CZ2-CG 3.99Å; W288-E327 PolarHBondContact NE1-OE1 3.1Å; F294-E327 HydrophobicContact CB-CB 4.25Å; F294-E327 HydrophobicContact CB-CG 4.2Å; F294-E327 HydrophobicContact CD1-CB 3.61Å; F294-E327 HydrophobicContact CD1-CG 4.12Å; F294-E327 HydrophobicContact CD2-CB 4.47Å; F294-E327 HydrophobicContact CD2-CG 4.08Å; F294-E327 HydrophobicContact CE1-CB 4.07Å; F294-E327 HydrophobicContact CE2-CG 4.5Å; F294-E327 HydrophobicContact CG-CB 3.87Å; F294-E327 HydrophobicContact CG-CG 3.88Å; N323-E327 WeakPolarHBondContact O-CB 3.19Å; N323-E327 PolarHBondContact O-N 3.37Å; L325-E327 VanDerWaalsContact C-N 3.32Å; L325-E327 PolarHBondContact O-N 3.46Å; E327-I331 HydrophobicContact CG-CD1 3.97Å; E327-I331 WeakPolarHBondContact O-CB 3.37Å; E327-I331 WeakPolarHBondContact O-CD1 3.29Å; E327-I331 WeakPolarHBondContact O-CG1 2.96Å; E327-I331 PolarHBondContact O-N 2.71Å; E327-I331 VanDerWaalsContact O-N 3.08Å
328K88.9Confident91Very high103 Ų10335.6 Ų35.645%0.44818%0.18SC..Hα-helixtrans-68.1-40.2-178.1-54.5-44.8175-169.60112.3M324 L325 N326 F332M324-K328 WeakPolarHBondContact O-CG 3.43Å; M324-K328 PolarHBondContact O-N 3.39Å; L325-K328 PolarHBondContact O-N 2.97Å; N326-K328 VanDerWaalsContact C-N 3.34Å; N326-K328 PolarHBondContact O-N 2.98Å; K328-F332 WeakPolarHBondContact O-CB 3.46Å; K328-F332 PolarHBondContact O-N 2.89Å
329I92.6Very high91.1Very high18 Ų1840.1 Ų40.19%0.09220%0.2CC..Hα-helixtrans-59.6-51.3177.6-72.9168.2000110.8T39 V43 L325 N326 F332 F333T39-I329 HydrophobicContact CG2-CB 4.33Å; T39-I329 HydrophobicContact CG2-CD1 3.48Å; T39-I329 VanDerWaalsContact CG2-CD1 3.48Å; T39-I329 HydrophobicContact CG2-CG1 3.74Å; T39-I329 HydrophobicContact CG2-CG2 3.61Å; V43-I329 HydrophobicContact CG2-CD1 3.4Å; V43-I329 VanDerWaalsContact CG2-CD1 3.4Å; L325-I329 HydrophobicContact CD1-CD1 3.87Å; L325-I329 HydrophobicContact CD1-CG1 4.28Å; L325-I329 HydrophobicContact CD2-CD1 4.32Å; L325-I329 HydrophobicContact CG-CD1 3.65Å; L325-I329 HydrophobicContact CG-CG1 4.45Å; L325-I329 WeakPolarHBondContact O-CG1 3.44Å; L325-I329 PolarHBondContact O-N 3.49Å; N326-I329 PolarHBondContact O-N 3.11Å; I329-F332 PolarHBondContact O-N 3.2Å; I329-F333 HydrophobicContact CG2-CD2 3.62Å; I329-F333 HydrophobicContact CG2-CE2 3.78Å; I329-F333 WeakPolarHBondContact O-CD2 3.33Å; I329-F333 PolarHBondContact O-N 3.23Å
330Y91Very high91.3Very high1 Ų138 Ų380%0.00418%0.183CC..Hα-helixtrans-70.2-34.4-176.9-77.2-62.9000112.6V110 I230 F233 L234 F294 N326 W334V110-Y330 HydrophobicContact CG1-CE2 4.25Å; V110-Y330 HydrophobicContact CG2-CE2 4.35Å; I230-Y330 HydrophobicContact CG1-CD1 4.27Å; I230-Y330 HydrophobicContact CG1-CE1 4.46Å; I230-Y330 HydrophobicContact CG2-CD1 3.96Å; F233-Y330 HydrophobicContact CD1-CE1 4.42Å; F233-Y330 HydrophobicContact CD1-CE2 4.41Å; F233-Y330 AromaticContact CD1-CZ 3.88Å; F233-Y330 WeakPolarHBondContact CD1-OH 3.39Å; F233-Y330 HydrophobicContact CE1-CE2 4.07Å; F233-Y330 AromaticContact CE1-CZ 3.73Å; F233-Y330 WeakPolarHBondContact CE1-OH 3.42Å; L234-Y330 HydrophobicContact CD1-CG 4.31Å; L234-Y330 HydrophobicContact CD2-CD2 4.1Å; L234-Y330 HydrophobicContact CD2-CE2 4.32Å; F294-Y330 HydrophobicContact CE1-CD2 4.49Å; N326-Y330 HydrophobicContact CB-CD2 4.29Å; N326-Y330 HydrophobicContact CB-CE2 4.31Å; N326-Y330 WeakPolarHBondContact O-CD2 3.41Å; N326-Y330 PolarHBondContact O-N 3.39Å; Y330-W334 VanDerWaalsContact O-CB 3.24Å; Y330-W334 WeakPolarHBondContact O-CB 3.48Å; Y330-W334 PolarHBondContact O-N 2.76Å
331I89Confident91.5Very high27 Ų2739.5 Ų39.514%0.13819%0.19CC..Hα-helixtrans-60.5-50.6171.9-69.9166.7000109.9F274 V278 W288 E327 W334 F335F274-I331 HydrophobicContact CE1-CG1 4.29Å; F274-I331 HydrophobicContact CZ-CG1 4.19Å; V278-I331 HydrophobicContact CG1-CD1 3.96Å; V278-I331 HydrophobicContact CG1-CG1 4.13Å; W288-I331 HydrophobicContact CH2-CD1 4.26Å; W288-I331 HydrophobicContact CZ2-CD1 3.76Å; E327-I331 HydrophobicContact CG-CD1 3.97Å; E327-I331 WeakPolarHBondContact O-CB 3.37Å; E327-I331 WeakPolarHBondContact O-CD1 3.29Å; E327-I331 WeakPolarHBondContact O-CG1 2.96Å; E327-I331 PolarHBondContact O-N 2.71Å; E327-I331 VanDerWaalsContact O-N 3.08Å; I331-W334 PolarHBondContact O-N 2.87Å; I331-F335 HydrophobicContact CG2-CD2 4.03Å; I331-F335 HydrophobicContact CG2-CE2 3.96Å; I331-F335 VanDerWaalsContact O-CD2 3.23Å; I331-F335 WeakPolarHBondContact O-CD2 3.45Å; I331-F335 PolarHBondContact O-N 3.39Å
332F93.3Very high91.9Very high96 Ų9639.8 Ų39.842%0.42119%0.187SC..Hα-helixtrans-57.4-52.7178.5172.1-99.8000111.6L35 K328 I329 W334 F335 W336L35-F332 HydrophobicContact CD1-CE1 4.31Å; L35-F332 HydrophobicContact CD1-CZ 4.32Å; K328-F332 WeakPolarHBondContact O-CB 3.46Å; K328-F332 PolarHBondContact O-N 2.89Å; I329-F332 PolarHBondContact O-N 3.2Å; F332-W334 VanDerWaalsContact C-N 3.31Å; F332-W334 PolarHBondContact O-N 3.18Å; F332-F335 PolarHBondContact O-N 3.35Å; F332-W336 HydrophobicContact CE2-CE3 4.37Å; F332-W336 HydrophobicContact CZ-CD2 4.29Å; F332-W336 HydrophobicContact CZ-CE3 4.06Å; F332-W336 VanDerWaalsContact O-CB 3.25Å; F332-W336 WeakPolarHBondContact O-CB 3.32Å; F332-W336 PolarHBondContact O-N 2.73Å
333F94.2Very high92.2Very high1 Ų140.4 Ų40.40%0.00419%0.19CC..Hα-helixtrans-65.1-32.6-179.1-81.6-61000113.2L35 L36 T39 I230 I329 W336 I337L35-F333 HydrophobicContact CB-CE1 4.11Å; L35-F333 HydrophobicContact CB-CZ 4.26Å; L36-F333 HydrophobicContact CD2-CD1 3.93Å; L36-F333 HydrophobicContact CD2-CD2 4.23Å; L36-F333 HydrophobicContact CD2-CE1 3.55Å; L36-F333 HydrophobicContact CD2-CE2 3.86Å; L36-F333 HydrophobicContact CD2-CG 4.28Å; L36-F333 HydrophobicContact CD2-CZ 3.52Å; L36-F333 HydrophobicContact CG-CD1 4.4Å; L36-F333 HydrophobicContact CG-CE1 3.73Å; L36-F333 HydrophobicContact CG-CZ 3.92Å; T39-F333 HydrophobicContact CG2-CE2 3.95Å; I230-F333 HydrophobicContact CD1-CB 4.33Å; I329-F333 HydrophobicContact CG2-CD2 3.62Å; I329-F333 HydrophobicContact CG2-CE2 3.78Å; I329-F333 WeakPolarHBondContact O-CD2 3.33Å; I329-F333 PolarHBondContact O-N 3.23Å; F333-W336 PolarHBondContact O-N 3.34Å; F333-I337 HydrophobicContact CB-CD1 4.37Å; F333-I337 WeakPolarHBondContact O-CB 3.24Å; F333-I337 WeakPolarHBondContact O-CD1 3.37Å; F333-I337 WeakPolarHBondContact O-CG1 3.34Å; F333-I337 PolarHBondContact O-N 2.83Å
334W91.2Very high92.6Very high22 Ų2240.7 Ų40.78%0.08319%0.192CC..Hα-helixtrans-62.3-51.2176.2-172.294.5000111.3F274 G275 Y330 I331 F332 W336 I337 V338F274-W334 HydrophobicContact CD1-CB 4.17Å; F274-W334 AromaticContact CD1-CD1 3.89Å; F274-W334 HydrophobicContact CD1-CG 4.08Å; G275-W334 VanDerWaalsContact CA-CD2 3.48Å; Y330-W334 VanDerWaalsContact O-CB 3.24Å; Y330-W334 WeakPolarHBondContact O-CB 3.48Å; Y330-W334 PolarHBondContact O-N 2.76Å; I331-W334 PolarHBondContact O-N 2.87Å; F332-W334 VanDerWaalsContact C-N 3.31Å; F332-W334 PolarHBondContact O-N 3.18Å; W334-W336 VanDerWaalsContact C-N 3.34Å; W334-W336 PolarHBondContact O-N 3.4Å; W334-I337 PolarHBondContact O-N 3.05Å; W334-V338 HydrophobicContact CD2-CG2 4.19Å; W334-V338 HydrophobicContact CE3-CG2 4.13Å; W334-V338 HydrophobicContact CH2-CG2 4.17Å; W334-V338 HydrophobicContact CZ2-CG2 4.2Å; W334-V338 HydrophobicContact CZ3-CG2 4.11Å; W334-V338 VanDerWaalsContact O-CG2 3.27Å; W334-V338 WeakPolarHBondContact O-CG2 3.31Å; W334-V338 PolarHBondContact O-N 2.93Å
335F92.7Very high93Very high89 Ų8939.2 Ų39.239%0.3919%0.186SC..Hα-helixtrans-64.7-40.7177.5-76-70.9000112V279 I331 F332 V338 F339V279-F335 HydrophobicContact CG2-CE1 4.26Å; V279-F335 HydrophobicContact CG2-CE2 4.12Å; V279-F335 HydrophobicContact CG2-CZ 3.39Å; I331-F335 HydrophobicContact CG2-CD2 4.03Å; I331-F335 HydrophobicContact CG2-CE2 3.96Å; I331-F335 VanDerWaalsContact O-CD2 3.23Å; I331-F335 WeakPolarHBondContact O-CD2 3.45Å; I331-F335 PolarHBondContact O-N 3.39Å; F332-F335 PolarHBondContact O-N 3.35Å; F335-V338 PolarHBondContact O-N 2.86Å; F335-F339 WeakPolarHBondContact O-CB 3.45Å; F335-F339 PolarHBondContact O-N 3.45Å
336W95.6Very high93.3Very high55 Ų5541 Ų4121%0.20820%0.195CC..Hα-helixtrans-60.9-47.8178.3-174.5-96.3000111.8F31 T32 L35 F332 F333 W334 F339 L340F31-W336 HydrophobicContact CD1-CH2 4.22Å; F31-W336 AromaticContact CD1-CZ2 3.78Å; F31-W336 HydrophobicContact CD1-CZ2 3.78Å; F31-W336 HydrophobicContact CE1-CH2 4.09Å; F31-W336 HydrophobicContact CE1-CZ2 4.03Å; T32-W336 PolarHBondContact OG1-NE1 3.36Å; L35-W336 HydrophobicContact CD1-CD2 4.39Å; L35-W336 HydrophobicContact CD1-CZ2 4.02Å; F332-W336 HydrophobicContact CE2-CE3 4.37Å; F332-W336 HydrophobicContact CZ-CD2 4.29Å; F332-W336 HydrophobicContact CZ-CE3 4.06Å; F332-W336 VanDerWaalsContact O-CB 3.25Å; F332-W336 WeakPolarHBondContact O-CB 3.32Å; F332-W336 PolarHBondContact O-N 2.73Å; F333-W336 PolarHBondContact O-N 3.34Å; W334-W336 VanDerWaalsContact C-N 3.34Å; W334-W336 PolarHBondContact O-N 3.4Å; W336-F339 WeakPolarHBondContact O-CB 3.28Å; W336-F339 PolarHBondContact O-N 3.42Å; W336-L340 WeakPolarHBondContact O-CG 3.34Å; W336-L340 PolarHBondContact O-N 3.48Å
337I94.5Very high93.5Very high0 Ų041.2 Ų41.20%020%0.197CC..Hα-helixtrans-70.7-34-178.9-62.3166.1000111.4F121 A223 Q226 I227 I230 F333 W334 F339 L340 L341F121-I337 HydrophobicContact CE2-CD1 3.95Å; F121-I337 HydrophobicContact CE2-CG1 4.22Å; F121-I337 HydrophobicContact CZ-CD1 4.05Å; F121-I337 HydrophobicContact CZ-CG1 3.88Å; F121-I337 HydrophobicContact CZ-CG2 4.08Å; A223-I337 HydrophobicContact CB-CG2 4.38Å; A223-I337 WeakPolarHBondContact O-CG2 3.12Å; Q226-I337 HydrophobicContact CB-CD1 4.13Å; Q226-I337 HydrophobicContact CB-CG2 4.34Å; I227-I337 HydrophobicContact CD1-CG2 4.04Å; I227-I337 HydrophobicContact CG1-CB 4.22Å; I227-I337 HydrophobicContact CG1-CG2 3.59Å; I230-I337 HydrophobicContact CD1-CD1 3.8Å; F333-I337 HydrophobicContact CB-CD1 4.37Å; F333-I337 WeakPolarHBondContact O-CB 3.24Å; F333-I337 WeakPolarHBondContact O-CD1 3.37Å; F333-I337 WeakPolarHBondContact O-CG1 3.34Å; F333-I337 PolarHBondContact O-N 2.83Å; W334-I337 PolarHBondContact O-N 3.05Å; I337-F339 VanDerWaalsContact C-N 3.33Å; I337-L340 HydrophobicContact CG1-CD1 4.47Å; I337-L340 WeakPolarHBondContact O-CB 3.19Å; I337-L340 PolarHBondContact O-N 3.38Å; I337-L341 WeakPolarHBondContact O-CB 3.36Å; I337-L341 PolarHBondContact O-N 3.24Å
338V92.9Very high93.9Very high39 Ų3942.4 Ų42.424%0.23620%0.203CC..Hα-helixtrans-60.7-44.3171169.60000110.7I227 W334 F335 L341 I342I227-V338 HydrophobicContact CD1-CG2 3.83Å; W334-V338 HydrophobicContact CD2-CG2 4.19Å; W334-V338 HydrophobicContact CE3-CG2 4.13Å; W334-V338 HydrophobicContact CH2-CG2 4.17Å; W334-V338 HydrophobicContact CZ2-CG2 4.2Å; W334-V338 HydrophobicContact CZ3-CG2 4.11Å; W334-V338 VanDerWaalsContact O-CG2 3.27Å; W334-V338 WeakPolarHBondContact O-CG2 3.31Å; W334-V338 PolarHBondContact O-N 2.93Å; F335-V338 PolarHBondContact O-N 2.86Å; V338-L341 PolarHBondContact O-N 3.36Å; V338-I342 HydrophobicContact CG1-CD1 4.11Å; V338-I342 WeakPolarHBondContact O-CG1 3.42Å; V338-I342 PolarHBondContact O-N 2.81Å
339F95.5Very high94.2Very high95 Ų9542.2 Ų42.242%0.41721%0.206SC..Hα-helixtrans-61.7-43.5173.9169.7-103.2000112.3L28 F335 W336 I337 L341 I342 T343L28-F339 HydrophobicContact CD1-CE1 3.91Å; L28-F339 HydrophobicContact CD1-CZ 4.4Å; F335-F339 WeakPolarHBondContact O-CB 3.45Å; F335-F339 PolarHBondContact O-N 3.45Å; W336-F339 WeakPolarHBondContact O-CB 3.28Å; W336-F339 PolarHBondContact O-N 3.42Å; I337-F339 VanDerWaalsContact C-N 3.33Å; F339-L341 VanDerWaalsContact C-N 3.34Å; F339-L341 PolarHBondContact O-N 2.78Å; F339-I342 PolarHBondContact O-N 3.34Å; F339-T343 HydrophobicContact CD2-CG2 4.15Å; F339-T343 HydrophobicContact CE1-CG2 4.12Å; F339-T343 HydrophobicContact CE2-CG2 3.67Å; F339-T343 HydrophobicContact CZ-CG2 3.66Å; F339-T343 WeakPolarHBondContact O-CG2 3.28Å; F339-T343 PolarHBondContact O-N 3.48Å; F339-T343 PolarHBondContact O-OG1 2.9Å
340L95.8Very high94.2Very high0 Ų046.2 Ų46.20%023%0.228CC..Hα-helixtrans-59.7-42.9173.5-68.9175000112.2L28 T32 F121 W336 I337 I342 T343 C344L28-L340 HydrophobicContact CB-CD2 3.57Å; L28-L340 HydrophobicContact CD1-CD2 4.44Å; T32-L340 HydrophobicContact CG2-CD1 3.76Å; T32-L340 WeakPolarHBondContact OG1-CD1 3.45Å; F121-L340 HydrophobicContact CE1-CD1 4.2Å; F121-L340 HydrophobicContact CZ-CD1 4.4Å; W336-L340 WeakPolarHBondContact O-CG 3.34Å; W336-L340 PolarHBondContact O-N 3.48Å; I337-L340 HydrophobicContact CG1-CD1 4.47Å; I337-L340 WeakPolarHBondContact O-CB 3.19Å; I337-L340 PolarHBondContact O-N 3.38Å; L340-I342 PolarHBondContact O-N 2.81Å; L340-T343 VanDerWaalsContact CA-OG1 3.31Å; L340-T343 WeakPolarHBondContact CA-OG1 3.49Å; L340-T343 PolarHBondContact O-N 2.86Å; L340-T343 PolarHBondContact O-OG1 3.42Å; L340-C344 VanDerWaalsContact O-CB 3.29Å; L340-C344 WeakPolarHBondContact O-CB 3.22Å; L340-C344 PolarHBondContact O-N 3.35Å; L340-C344 PolarHBondContact O-SG 3.48Å
341L95.4Very high94.2Very high35 Ų3546.2 Ų46.218%0.18323%0.228CC..Hα-helixtrans-61.1-47.5179.7-179.766000110.6I220 A223 A224 I227 I337 V338 F339 C344 I345I220-L341 HydrophobicContact CG2-CD1 3.87Å; A223-L341 HydrophobicContact CB-CB 4.33Å; A223-L341 HydrophobicContact CB-CD1 3.98Å; A224-L341 HydrophobicContact CB-CD1 4.44Å; I227-L341 HydrophobicContact CD1-CD2 3.94Å; I337-L341 WeakPolarHBondContact O-CB 3.36Å; I337-L341 PolarHBondContact O-N 3.24Å; V338-L341 PolarHBondContact O-N 3.36Å; F339-L341 VanDerWaalsContact C-N 3.34Å; F339-L341 PolarHBondContact O-N 2.78Å; L341-C344 PolarHBondContact O-N 3.24Å; L341-I345 HydrophobicContact CD1-CD1 4.19Å; L341-I345 HydrophobicContact CG-CD1 4.02Å; L341-I345 VanDerWaalsContact O-CG1 3.28Å; L341-I345 WeakPolarHBondContact O-CG1 3.31Å; L341-I345 PolarHBondContact O-N 2.88Å
342I96Very high94.3Very high90 Ų9046.6 Ų46.646%0.46223%0.23SC..Hα-helixtrans-60.6-49177.2-66.3166.5000110.5V338 F339 L340 C344 I345 L346V338-I342 HydrophobicContact CG1-CD1 4.11Å; V338-I342 WeakPolarHBondContact O-CG1 3.42Å; V338-I342 PolarHBondContact O-N 2.81Å; F339-I342 PolarHBondContact O-N 3.34Å; L340-I342 PolarHBondContact O-N 2.81Å; I342-C344 VanDerWaalsContact C-N 3.33Å; I342-C344 PolarHBondContact O-N 3.19Å; I342-I345 PolarHBondContact O-N 3.35Å; I342-L346 HydrophobicContact CG2-CD1 4.03Å; I342-L346 HydrophobicContact CG2-CG 4.43Å; I342-L346 WeakPolarHBondContact O-CG 3.41Å; I342-L346 PolarHBondContact O-N 3.06Å
343T96.1Very high94.2Very high19 Ų1944.6 Ų44.612%0.11723%0.231CC..Hα-helixtrans-64-35.8179.752.90000112.6F339 L340 L346 S347F339-T343 HydrophobicContact CD2-CG2 4.15Å; F339-T343 HydrophobicContact CE1-CG2 4.12Å; F339-T343 HydrophobicContact CE2-CG2 3.67Å; F339-T343 HydrophobicContact CZ-CG2 3.66Å; F339-T343 WeakPolarHBondContact O-CG2 3.28Å; F339-T343 PolarHBondContact O-N 3.48Å; F339-T343 PolarHBondContact O-OG1 2.9Å; L340-T343 VanDerWaalsContact CA-OG1 3.31Å; L340-T343 WeakPolarHBondContact CA-OG1 3.49Å; L340-T343 PolarHBondContact O-N 2.86Å; L340-T343 PolarHBondContact O-OG1 3.42Å; T343-L346 PolarHBondContact O-N 3.23Å; T343-S347 WeakPolarHBondContact O-CB 3.23Å; T343-S347 PolarHBondContact O-N 3.07Å
344C95.3Very high93.9Very high7 Ų747.8 Ų47.85%0.04724%0.243CC..Hα-helixtrans-66.6-43.1174.3-70.90000112.2I220 L340 L341 I342 S347 L348I220-C344 HydrophobicContact CG1-CB 3.76Å; L340-C344 VanDerWaalsContact O-CB 3.29Å; L340-C344 WeakPolarHBondContact O-CB 3.22Å; L340-C344 PolarHBondContact O-N 3.35Å; L340-C344 PolarHBondContact O-SG 3.48Å; L341-C344 PolarHBondContact O-N 3.24Å; I342-C344 VanDerWaalsContact C-N 3.33Å; I342-C344 PolarHBondContact O-N 3.19Å; C344-S347 PolarHBondContact O-N 2.74Å; C344-L348 WeakPolarHBondContact O-CB 3.31Å; C344-L348 PolarHBondContact O-N 2.94Å
345I96.2Very high93.7Very high70 Ų7046.8 Ų46.836%0.35924%0.239SC..Hα-helixtrans-62-46.3175.2-69.1165.7000110.1I220 L341 I342 S347 L348 L349I220-I345 HydrophobicContact CD1-CG1 4.08Å; I220-I345 HydrophobicContact CG1-CG1 4.34Å; I220-I345 HydrophobicContact CG2-CG1 4.23Å; L341-I345 HydrophobicContact CD1-CD1 4.19Å; L341-I345 HydrophobicContact CG-CD1 4.02Å; L341-I345 VanDerWaalsContact O-CG1 3.28Å; L341-I345 WeakPolarHBondContact O-CG1 3.31Å; L341-I345 PolarHBondContact O-N 2.88Å; I342-I345 PolarHBondContact O-N 3.35Å; I345-S347 PolarHBondContact O-N 3.47Å; I345-L348 PolarHBondContact O-N 3.5Å; I345-L349 HydrophobicContact CG2-CD1 4.04Å; I345-L349 HydrophobicContact CG2-CG 4.41Å; I345-L349 WeakPolarHBondContact O-CG 3.34Å; I345-L349 PolarHBondContact O-N 3.01Å
346L96.4Very high93.3Very high92 Ų9246.2 Ų46.248%0.48224%0.239SC..Hα-helixtrans-60.9-44176.2-69174.8000111.6I342 T343 L348 L349 L350I342-L346 HydrophobicContact CG2-CD1 4.03Å; I342-L346 HydrophobicContact CG2-CG 4.43Å; I342-L346 WeakPolarHBondContact O-CG 3.41Å; I342-L346 PolarHBondContact O-N 3.06Å; T343-L346 PolarHBondContact O-N 3.23Å; L346-L348 PolarHBondContact O-N 3.2Å; L346-L349 PolarHBondContact O-N 3.22Å; L346-L350 WeakPolarHBondContact O-CB 3.4Å; L346-L350 WeakPolarHBondContact O-CG 3.19Å; L346-L350 PolarHBondContact O-N 3.24Å
347S94.5Very high92.8Very high6 Ų647.6 Ų47.64%0.04225%0.251CS..Hα-helixtrans-58.3-47.9174.5174.80000111.1D23 K216 T343 C344 I345 L349 L350 W351D23-S347 PolarHBondContact OD2-OG 3.22Å; K216-S347 PolarHBondContact NZ-OG 2.98Å; T343-S347 WeakPolarHBondContact O-CB 3.23Å; T343-S347 PolarHBondContact O-N 3.07Å; C344-S347 PolarHBondContact O-N 2.74Å; I345-S347 PolarHBondContact O-N 3.47Å; S347-L349 PolarHBondContact O-N 3.15Å; S347-L350 PolarHBondContact O-N 3.29Å; S347-W351 PolarHBondContact O-N 3.11Å
348L94.8Very high92.1Very high26 Ų2649.7 Ų49.714%0.13627%0.268CS..Hα-helixtrans-57.3-48.9176.7176.261.9000111.5F213 K216 I217 I220 C344 I345 L346 L350 W351 L352F213-L348 HydrophobicContact CD1-CD1 3.57Å; F213-L348 HydrophobicContact CE1-CD1 4.08Å; K216-L348 HydrophobicContact CB-CD1 4.06Å; K216-L348 HydrophobicContact CD-CB 4.45Å; K216-L348 HydrophobicContact CD-CD1 4.35Å; I217-L348 HydrophobicContact CG1-CD2 4.32Å; I220-L348 HydrophobicContact CD1-CB 3.97Å; I220-L348 HydrophobicContact CD1-CD2 3.53Å; I220-L348 HydrophobicContact CD1-CG 4.37Å; C344-L348 WeakPolarHBondContact O-CB 3.31Å; C344-L348 PolarHBondContact O-N 2.94Å; I345-L348 PolarHBondContact O-N 3.5Å; L346-L348 PolarHBondContact O-N 3.2Å; L348-L350 PolarHBondContact O-N 3.17Å; L348-W351 PolarHBondContact O-N 2.96Å; L348-L352 HydrophobicContact CD1-CD1 4.05Å; L348-L352 HydrophobicContact CD1-CG 4.14Å; L348-L352 HydrophobicContact CG-CD1 3.88Å; L348-L352 HydrophobicContact CG-CG 4.41Å; L348-L352 WeakPolarHBondContact O-CB 3.26Å; L348-L352 VanDerWaalsContact O-CG 3.28Å; L348-L352 WeakPolarHBondContact O-CG 3.3Å; L348-L352 PolarHBondContact O-N 3.19Å
349L94.6Very high91.7Very high98 Ų9851.4 Ų51.451%0.51328%0.281SS..Hα-helixtrans-62-42.3178.8-68.5175.4000112.2I345 L346 S347 L352 A353I345-L349 HydrophobicContact CG2-CD1 4.04Å; I345-L349 HydrophobicContact CG2-CG 4.41Å; I345-L349 WeakPolarHBondContact O-CG 3.34Å; I345-L349 PolarHBondContact O-N 3.01Å; L346-L349 PolarHBondContact O-N 3.22Å; S347-L349 PolarHBondContact O-N 3.15Å; L349-L352 PolarHBondContact O-N 2.98Å; L349-A353 WeakPolarHBondContact O-CB 3.31Å; L349-A353 PolarHBondContact O-N 3Å
350L92.5Very high91.3Very high103 Ų10352.6 Ų52.654%0.53929%0.286SS..Hα-helixtrans-63.6-40.7176.2-71.6172.4000111.8L346 S347 L348 R354L346-L350 WeakPolarHBondContact O-CB 3.4Å; L346-L350 WeakPolarHBondContact O-CG 3.19Å; L346-L350 PolarHBondContact O-N 3.24Å; S347-L350 PolarHBondContact O-N 3.29Å; L348-L350 PolarHBondContact O-N 3.17Å; L350-R354 WeakPolarHBondContact O-CB 3.44Å; L350-R354 WeakPolarHBondContact O-CG 3.42Å; L350-R354 PolarHBondContact O-N 3.45Å; L350-R354 PolarHBondContact O-NE 3.25Å; L350-R354 VanDerWaalsContact O-NE 3.13Å
351W92.5Very high90.9Very high0 Ų054.3 Ų54.30%029%0.293CS..Hα-helixtrans-68.8-40.7175-81.5104.9000112.4D23 Y212 F213 K216 S347 L348 R354 M355 F401 R404 M405 I408D23-W351 PolarHBondContact OD2-NE1 3.02Å; Y212-W351 HydrophobicContact CD1-CD2 4.42Å; Y212-W351 AromaticContact CE1-CD1 3.89Å; Y212-W351 AromaticContact CE1-CD2 3.59Å; Y212-W351 HydrophobicContact CE1-CD2 3.59Å; Y212-W351 AromaticContact CE1-CE2 3.56Å; Y212-W351 HydrophobicContact CE1-CE3 4.1Å; Y212-W351 AromaticContact CE1-CG 3.81Å; Y212-W351 HydrophobicContact CE1-CG 3.81Å; Y212-W351 HydrophobicContact CE1-CH2 4.49Å; Y212-W351 HydrophobicContact CE1-CZ2 4.04Å; Y212-W351 AromaticContact CE1-NE1 3.76Å; Y212-W351 AromaticContact CZ-CE2 3.97Å; Y212-W351 AromaticContact CZ-NE1 3.99Å; Y212-W351 PolarHBondContact OH-NE1 2.88Å; F213-W351 HydrophobicContact CE1-CB 3.71Å; F213-W351 HydrophobicContact CZ-CB 4.23Å; K216-W351 VanDerWaalsContact CE-CD1 3.49Å; S347-W351 PolarHBondContact O-N 3.11Å; L348-W351 PolarHBondContact O-N 2.96Å; W351-R354 VanDerWaalsContact CD2-NH2 3.35Å; W351-R354 PolarHBondContact O-N 3.16Å; W351-M355 HydrophobicContact CE3-CG 4.07Å; W351-M355 HydrophobicContact CE3-SD 4.47Å; W351-M355 HydrophobicContact CZ3-SD 4.46Å; W351-M355 WeakPolarHBondContact O-CB 3.07Å; W351-M355 VanDerWaalsContact O-CG 3.31Å; W351-M355 WeakPolarHBondContact O-CG 3.34Å; W351-M355 PolarHBondContact O-N 3.13Å; W351-F401 HydrophobicContact CE3-CD2 4.15Å; W351-F401 AromaticContact CE3-CE2 3.94Å; W351-F401 HydrophobicContact CE3-CE2 3.94Å; W351-F401 HydrophobicContact CH2-CD2 4.27Å; W351-F401 AromaticContact CH2-CE2 3.89Å; W351-F401 HydrophobicContact CH2-CE2 3.89Å; W351-F401 AromaticContact CZ3-CD2 3.56Å; W351-F401 HydrophobicContact CZ3-CD2 3.56Å; W351-F401 AromaticContact CZ3-CE2 3.46Å; W351-F401 HydrophobicContact CZ3-CE2 3.46Å; W351-F401 VanDerWaalsContact CZ3-CE2 3.46Å; W351-R404 HydrophobicContact CH2-CB 4.41Å; W351-R404 HydrophobicContact CZ3-CB 4.41Å; W351-M405 HydrophobicContact CH2-SD 3.8Å; W351-M405 HydrophobicContact CZ2-SD 3.76Å; W351-I408 HydrophobicContact CH2-CD1 4Å; W351-I408 HydrophobicContact CZ2-CD1 3.63Å
352L90.9Very high90.6Very high36 Ų3654.3 Ų54.319%0.18829%0.291CS..Hα-helixtrans-58.9-49.7173.9-73.3168.2000110.5F213 L348 L349 R354 M355 I356F213-L352 HydrophobicContact CD1-CD2 4Å; F213-L352 HydrophobicContact CD1-CG 4.29Å; F213-L352 HydrophobicContact CE1-CB 4.44Å; F213-L352 HydrophobicContact CE1-CD2 3.61Å; F213-L352 HydrophobicContact CE1-CG 3.7Å; F213-L352 HydrophobicContact CE2-CD2 4.2Å; F213-L352 HydrophobicContact CG-CD2 4.47Å; F213-L352 HydrophobicContact CZ-CD2 3.73Å; F213-L352 HydrophobicContact CZ-CG 4.14Å; L348-L352 HydrophobicContact CD1-CD1 4.05Å; L348-L352 HydrophobicContact CD1-CG 4.14Å; L348-L352 HydrophobicContact CG-CD1 3.88Å; L348-L352 HydrophobicContact CG-CG 4.41Å; L348-L352 WeakPolarHBondContact O-CB 3.26Å; L348-L352 VanDerWaalsContact O-CG 3.28Å; L348-L352 WeakPolarHBondContact O-CG 3.3Å; L348-L352 PolarHBondContact O-N 3.19Å; L349-L352 PolarHBondContact O-N 2.98Å; L352-R354 VanDerWaalsContact C-N 3.34Å; L352-R354 PolarHBondContact O-N 3.06Å; L352-M355 PolarHBondContact O-N 2.57Å; L352-I356 HydrophobicContact CB-CD1 3.95Å; L352-I356 HydrophobicContact CD2-CD1 3.81Å; L352-I356 HydrophobicContact CG-CD1 4.47Å; L352-I356 WeakPolarHBondContact O-CB 3.41Å; L352-I356 WeakPolarHBondContact O-CG1 3.45Å; L352-I356 PolarHBondContact O-N 3.4Å
353A90.7Very high90.2Very high54 Ų5453.5 Ų53.545%0.44629%0.288SS..Hα-helixtrans-60.6-40.6177.600000112.7L349L349-A353 WeakPolarHBondContact O-CB 3.31Å; L349-A353 PolarHBondContact O-N 3Å
354R88.9Confident90Very high68 Ų6854.2 Ų54.226%0.25729%0.29SS..Hα-helixtrans-69.7-33.8179.2-75.5-179-69.3-170.41.1113.5L350 W351 L352 R361L350-R354 WeakPolarHBondContact O-CB 3.44Å; L350-R354 WeakPolarHBondContact O-CG 3.42Å; L350-R354 PolarHBondContact O-N 3.45Å; L350-R354 PolarHBondContact O-NE 3.25Å; L350-R354 VanDerWaalsContact O-NE 3.13Å; W351-R354 VanDerWaalsContact CD2-NH2 3.35Å; W351-R354 PolarHBondContact O-N 3.16Å; L352-R354 VanDerWaalsContact C-N 3.34Å; L352-R354 PolarHBondContact O-N 3.06Å; R354-R361 VanDerWaalsContact O-CG 3.29Å; R354-R361 WeakPolarHBondContact O-CG 3.37Å
355M86.8Confident89.8Confident0 Ų053.9 Ų53.90%029%0.287CS..Hα-helixtrans-100.4-27.1-172-61.6-50.3-62.800114.2I197 I209 F213 W351 L352 R361 F401I197-M355 WeakPolarHBondContact CD1-O 3.43Å; I209-M355 HydrophobicContact CD1-CE 3.32Å; I209-M355 HydrophobicContact CG1-CE 3.8Å; I209-M355 HydrophobicContact CG2-CB 4.42Å; F213-M355 HydrophobicContact CE2-CB 4.33Å; F213-M355 HydrophobicContact CZ-CB 4.11Å; F213-M355 HydrophobicContact CZ-CG 4.34Å; W351-M355 HydrophobicContact CE3-CG 4.07Å; W351-M355 HydrophobicContact CE3-SD 4.47Å; W351-M355 HydrophobicContact CZ3-SD 4.46Å; W351-M355 WeakPolarHBondContact O-CB 3.07Å; W351-M355 VanDerWaalsContact O-CG 3.31Å; W351-M355 WeakPolarHBondContact O-CG 3.34Å; W351-M355 PolarHBondContact O-N 3.13Å; L352-M355 PolarHBondContact O-N 2.57Å; M355-R361 WeakPolarHBondContact O-CD 3.21Å; M355-R361 PolarHBondContact O-NH1 3.48Å; M355-F401 HydrophobicContact CE-CB 3.69Å; M355-F401 HydrophobicContact CE-CD2 4.29Å; M355-F401 HydrophobicContact CE-CG 4.48Å; M355-F401 HydrophobicContact SD-CD2 4.36Å
356I83.4Confident89.5Confident77 Ų7751.3 Ų51.340%0.39527%0.274SS..Hα-helixtrans-73.6-41.9178.8-65.3171.5000111.7I197 L352 A358I197-I356 VanDerWaalsContact CD1-CA 3.43Å; I197-I356 HydrophobicContact CD1-CB 4.14Å; I197-I356 HydrophobicContact CD1-CG1 3.92Å; I197-I356 HydrophobicContact CD1-CG2 4.49Å; L352-I356 HydrophobicContact CB-CD1 3.95Å; L352-I356 HydrophobicContact CD2-CD1 3.81Å; L352-I356 HydrophobicContact CG-CD1 4.47Å; L352-I356 WeakPolarHBondContact O-CB 3.41Å; L352-I356 WeakPolarHBondContact O-CG1 3.45Å; L352-I356 PolarHBondContact O-N 3.4Å; I356-A358 PolarHBondContact O-N 2.92Å; I356-A358 VanDerWaalsContact O-N 3.11Å
357L84.6Confident89.1Confident85 Ų8554.7 Ų54.745%0.44528%0.28SS..  trans-78.8102.4-178.1-81.969.9000110.7S359 K360 R361L357-S359 PolarHBondContact O-N 2.97Å; L357-K360 HydrophobicContact CB-CB 4Å; L357-K360 HydrophobicContact CB-CG 3.8Å; L357-K360 HydrophobicContact CD2-CG 3.8Å; L357-K360 HydrophobicContact CG-CG 4.48Å; L357-K360 PolarHBondContact O-N 3.44Å; L357-K360 VanDerWaalsContact O-N 3.08Å; L357-R361 PolarHBondContact O-N 3.28Å; L357-R361 VanDerWaalsContact O-N 3.16Å
358A81.1Confident88.9Confident44 Ų4455.2 Ų55.236%0.36428%0.281SS..Hα-helixtrans-53.9-37.9175.800000112.9I356 R361 K362I356-A358 PolarHBondContact O-N 2.92Å; I356-A358 VanDerWaalsContact O-N 3.11Å; A358-R361 PolarHBondContact O-N 3.21Å; A358-K362 WeakPolarHBondContact O-CG 3.21Å; A358-K362 PolarHBondContact O-N 2.73Å; A358-K362 VanDerWaalsContact O-N 3.09Å
359S84.5Confident88.5Confident74 Ų7454 Ų5452%0.51728%0.275SS..Hα-helixtrans-59.8-49.6175.5-167.60000112L357 R361 K362 D363L357-S359 PolarHBondContact O-N 2.97Å; S359-R361 VanDerWaalsContact C-N 3.29Å; S359-R361 PolarHBondContact O-N 3.35Å; S359-K362 WeakPolarHBondContact O-CB 3.46Å; S359-K362 PolarHBondContact O-N 3.02Å; S359-D363 PolarHBondContact O-N 2.95Å; S359-D363 VanDerWaalsContact O-OD2 3.11Å; S359-D363 PolarHBondContact OG-OD2 2.9Å
360K85.9Confident88Confident120 Ų12056.6 Ų56.652%0.52228%0.278SS..Hα-helixtrans-65.9-31.8-177.5-64.1-62.9-173.2-175.60112.6L357 F364 R404L357-K360 HydrophobicContact CB-CB 4Å; L357-K360 HydrophobicContact CB-CG 3.8Å; L357-K360 HydrophobicContact CD2-CG 3.8Å; L357-K360 HydrophobicContact CG-CG 4.48Å; L357-K360 PolarHBondContact O-N 3.44Å; L357-K360 VanDerWaalsContact O-N 3.08Å; K360-F364 WeakPolarHBondContact O-CB 3.29Å; K360-F364 PolarHBondContact O-N 2.83Å; K360-R404 PolarHBondContact O-NH2 3.25Å; K360-R404 VanDerWaalsContact O-NH2 3.12Å
361R88.1Confident87.6Confident36 Ų3657.8 Ų57.814%0.13628%0.284CS..Hα-helixtrans-63.4-45.9170.7-67.5-172.2-55.8-161.87.8111.6R354 M355 L357 A358 S359 F364 V400R354-R361 VanDerWaalsContact O-CG 3.29Å; R354-R361 WeakPolarHBondContact O-CG 3.37Å; M355-R361 WeakPolarHBondContact O-CD 3.21Å; M355-R361 PolarHBondContact O-NH1 3.48Å; L357-R361 PolarHBondContact O-N 3.28Å; L357-R361 VanDerWaalsContact O-N 3.16Å; A358-R361 PolarHBondContact O-N 3.21Å; S359-R361 VanDerWaalsContact C-N 3.29Å; S359-R361 PolarHBondContact O-N 3.35Å; R361-F364 PolarHBondContact O-N 3.15Å; R361-V400 HydrophobicContact CB-CG1 4.09Å; R361-V400 HydrophobicContact CG-CG1 4.32Å
362K88.6Confident87.1Confident35 Ų3562.3 Ų62.315%0.15230%0.304CS..Hα-helixtrans-65.7-47.6179-71.6168.8166.8-142.30112A358 S359 F364 I365 K366 D388 I391 D392A358-K362 WeakPolarHBondContact O-CG 3.21Å; A358-K362 PolarHBondContact O-N 2.73Å; A358-K362 VanDerWaalsContact O-N 3.09Å; S359-K362 WeakPolarHBondContact O-CB 3.46Å; S359-K362 PolarHBondContact O-N 3.02Å; K362-F364 PolarHBondContact O-N 3.21Å; K362-I365 PolarHBondContact O-N 2.67Å; K362-K366 WeakPolarHBondContact O-CB 3.24Å; K362-K366 VanDerWaalsContact O-CG 3.26Å; K362-K366 WeakPolarHBondContact O-CG 3.41Å; K362-K366 PolarHBondContact O-N 3.36Å; K362-D388 VanDerWaalsContact CD-OD1 3.3Å; K362-D388 WeakPolarHBondContact CD-OD1 3.44Å; K362-D388 IonicContact NZ-OD1 2.75Å; K362-D388 PolarHBondContact NZ-OD1 3.26Å; K362-D388 VanDerWaalsContact NZ-OD1 3.1Å; K362-I391 HydrophobicContact CB-CD1 4.23Å; K362-I391 HydrophobicContact CG-CB 4.44Å; K362-I391 HydrophobicContact CG-CD1 4.32Å; K362-I391 HydrophobicContact CG-CG2 3.84Å; K362-D392 WeakPolarHBondContact CE-OD1 3.48Å; K362-D392 WeakPolarHBondContact CE-OD2 3.31Å; K362-D392 IonicContact NZ-OD1 3.06Å; K362-D392 PolarHBondContact NZ-OD1 3.37Å; K362-D392 IonicContact NZ-OD2 3.89Å; K362-D392 PolarHBondContact NZ-OD2 2.77Å
363D88.8Confident86.2Confident74 Ų7462.8 Ų62.840%0.39632%0.318SS..Hα-helixtrans-59.1-35-179.5-64.9-29.4000112S359 R367S359-D363 PolarHBondContact O-N 2.95Å; S359-D363 VanDerWaalsContact O-OD2 3.11Å; S359-D363 PolarHBondContact OG-OD2 2.9Å; D363-R367 WeakPolarHBondContact O-CB 3.22Å; D363-R367 PolarHBondContact O-N 3.27Å
364F90.7Very high85.1Confident33 Ų3361.6 Ų61.615%0.14531%0.305CS..Hα-helixtrans-61.7-52.3176.2173.9-102.9000112.6K360 R361 K362 R367 Y368 I403 R404K360-F364 WeakPolarHBondContact O-CB 3.29Å; K360-F364 PolarHBondContact O-N 2.83Å; R361-F364 PolarHBondContact O-N 3.15Å; K362-F364 PolarHBondContact O-N 3.21Å; F364-R367 WeakPolarHBondContact O-CB 3.34Å; F364-R367 PolarHBondContact O-N 3.06Å; F364-Y368 HydrophobicContact CD1-CE2 4.45Å; F364-Y368 AromaticContact CD2-CE2 3.99Å; F364-Y368 HydrophobicContact CD2-CE2 3.99Å; F364-Y368 AromaticContact CE1-CE2 3.98Å; F364-Y368 HydrophobicContact CE1-CE2 3.98Å; F364-Y368 AromaticContact CE2-CE2 3.5Å; F364-Y368 HydrophobicContact CE2-CE2 3.5Å; F364-Y368 VanDerWaalsContact CE2-CE2 3.5Å; F364-Y368 HydrophobicContact CG-CE2 4.45Å; F364-Y368 HydrophobicContact CZ-CD2 4.42Å; F364-Y368 AromaticContact CZ-CE2 3.48Å; F364-Y368 HydrophobicContact CZ-CE2 3.48Å; F364-Y368 VanDerWaalsContact CZ-CE2 3.48Å; F364-Y368 VanDerWaalsContact O-CD2 3.3Å; F364-Y368 WeakPolarHBondContact O-CD2 3.29Å; F364-I403 HydrophobicContact CE1-CG2 4.1Å; F364-R404 HydrophobicContact CD1-CG 3.89Å; F364-R404 HydrophobicContact CE1-CB 4.44Å; F364-R404 HydrophobicContact CE1-CG 3.41Å; F364-R404 VanDerWaalsContact CE1-CG 3.41Å; F364-R404 HydrophobicContact CE2-CG 4.38Å; F364-R404 VanDerWaalsContact CG-CZ 3.47Å; F364-R404 VanDerWaalsContact CG-NH1 3.32Å; F364-R404 HydrophobicContact CZ-CG 3.68Å
365I91.1Very high83.8Confident0 Ų065.3 Ų65.30%033%0.325CS..Hα-helixtrans-67.1-41.5178.3-58.8-61.3000111K362 R367 Y368 L369 F390 I391 L395 V400 I403 V419K362-I365 PolarHBondContact O-N 2.67Å; I365-R367 PolarHBondContact O-N 3.14Å; I365-Y368 PolarHBondContact O-N 2.91Å; I365-Y368 VanDerWaalsContact O-N 3.15Å; I365-L369 HydrophobicContact CG2-CD1 4.1Å; I365-L369 PolarHBondContact O-N 3.13Å; I365-F390 HydrophobicContact CG2-CE1 4.1Å; I365-I391 HydrophobicContact CB-CD1 3.92Å; I365-I391 HydrophobicContact CB-CG1 4.1Å; I365-I391 HydrophobicContact CG2-CD1 4.09Å; I365-I391 HydrophobicContact CG2-CG1 3.97Å; I365-L395 HydrophobicContact CD1-CD2 3.84Å; I365-L395 HydrophobicContact CG1-CD2 3.88Å; I365-V400 HydrophobicContact CD1-CG2 4.47Å; I365-V400 HydrophobicContact CG1-CG1 4.5Å; I365-V400 HydrophobicContact CG1-CG2 4.03Å; I365-I403 HydrophobicContact CD1-CB 4.47Å; I365-I403 HydrophobicContact CD1-CD1 4.13Å; I365-I403 HydrophobicContact CD1-CG2 4.01Å; I365-V419 HydrophobicContact CG2-CG1 4.18Å
366K89.6Confident82.5Confident17 Ų1766 Ų667%0.07433%0.329CS..Hα-helixtrans-57-34.8176.1-71.6177.9-177.4178.40111.9K362 R370 L387 D388 I391K362-K366 WeakPolarHBondContact O-CB 3.24Å; K362-K366 VanDerWaalsContact O-CG 3.26Å; K362-K366 WeakPolarHBondContact O-CG 3.41Å; K362-K366 PolarHBondContact O-N 3.36Å; K366-R370 WeakPolarHBondContact O-CB 3.48Å; K366-R370 VanDerWaalsContact O-CG 3.24Å; K366-R370 WeakPolarHBondContact O-CG 3.25Å; K366-R370 PolarHBondContact O-N 2.99Å; K366-L387 HydrophobicContact CG-CB 4.44Å; K366-L387 HydrophobicContact CG-CD1 4Å; K366-D388 VanDerWaalsContact CE-OD1 3.31Å; K366-D388 WeakPolarHBondContact CE-OD1 3.45Å; K366-D388 IonicContact NZ-OD1 3.62Å; K366-D388 PolarHBondContact NZ-OD1 2.87Å; K366-D388 IonicContact NZ-OD2 2.67Å; K366-D388 PolarHBondContact NZ-OD2 3.37Å; K366-I391 HydrophobicContact CG-CD1 4.03Å
367R89.2Confident81.2Confident162 Ų16264.8 Ų64.861%0.61132%0.323SS*.Hα-helixtrans-63.9-45.4177-173.1-177.8179.2-145.91.2112.2D363 F364 I365 R370 L371D363-R367 WeakPolarHBondContact O-CB 3.22Å; D363-R367 PolarHBondContact O-N 3.27Å; F364-R367 WeakPolarHBondContact O-CB 3.34Å; F364-R367 PolarHBondContact O-N 3.06Å; I365-R367 PolarHBondContact O-N 3.14Å; R367-R370 PolarHBondContact O-N 2.93Å; R367-L371 HydrophobicContact CG-CD1 3.98Å; R367-L371 WeakPolarHBondContact O-CB 3.23Å; R367-L371 VanDerWaalsContact O-CG 3.27Å; R367-L371 WeakPolarHBondContact O-CG 3.47Å; R367-L371 PolarHBondContact O-N 3.46Å
368Y88.9Confident79.7Confident18 Ų1869.2 Ų69.27%0.07134%0.339CS..Hα-helixtrans-64.7-44.9178.7-73.8-81.3000112.1F364 I365 R370 L371 K372 T407 D412F364-Y368 HydrophobicContact CD1-CE2 4.45Å; F364-Y368 AromaticContact CD2-CE2 3.99Å; F364-Y368 HydrophobicContact CD2-CE2 3.99Å; F364-Y368 AromaticContact CE1-CE2 3.98Å; F364-Y368 HydrophobicContact CE1-CE2 3.98Å; F364-Y368 AromaticContact CE2-CE2 3.5Å; F364-Y368 HydrophobicContact CE2-CE2 3.5Å; F364-Y368 VanDerWaalsContact CE2-CE2 3.5Å; F364-Y368 HydrophobicContact CG-CE2 4.45Å; F364-Y368 HydrophobicContact CZ-CD2 4.42Å; F364-Y368 AromaticContact CZ-CE2 3.48Å; F364-Y368 HydrophobicContact CZ-CE2 3.48Å; F364-Y368 VanDerWaalsContact CZ-CE2 3.48Å; F364-Y368 VanDerWaalsContact O-CD2 3.3Å; F364-Y368 WeakPolarHBondContact O-CD2 3.29Å; I365-Y368 PolarHBondContact O-N 2.91Å; I365-Y368 VanDerWaalsContact O-N 3.15Å; Y368-R370 VanDerWaalsContact C-N 3.33Å; Y368-R370 PolarHBondContact O-N 3.36Å; Y368-L371 PolarHBondContact O-N 3.45Å; Y368-K372 PolarHBondContact O-N 3.41Å; Y368-T407 WeakPolarHBondContact OH-CG2 3.28Å; Y368-D412 HydrophobicContact CE1-CB 4.35Å; Y368-D412 PolarHBondContact OH-OD1 3.19Å
369L87Confident78.6Confident1 Ų169.9 Ų69.91%0.00535%0.351CS..Hα-helixtrans-63.3-38.5179.3-68.1172.4000112.2I365 G373 V374 L387 F390 V419 Y423I365-L369 HydrophobicContact CG2-CD1 4.1Å; I365-L369 PolarHBondContact O-N 3.13Å; L369-G373 PolarHBondContact O-N 2.93Å; L369-V374 HydrophobicContact CD2-CG2 4.08Å; L369-V374 PolarHBondContact O-N 3.44Å; L369-L387 HydrophobicContact CD1-CD2 3.56Å; L369-F390 HydrophobicContact CD1-CD1 4.42Å; L369-F390 HydrophobicContact CD1-CE1 4.35Å; L369-V419 HydrophobicContact CD2-CG1 3.73Å; L369-V419 HydrophobicContact CG-CG1 3.86Å; L369-Y423 HydrophobicContact CD1-CD2 4.2Å; L369-Y423 HydrophobicContact CD1-CG 4.49Å; L369-Y423 HydrophobicContact CD2-CG 4.06Å
370R84.2Confident77.3Confident152 Ų15271.5 Ų71.557%0.57435%0.353SS*.Hα-helixtrans-67.3-40.7174.6-73.7177.2-170.4173.25.5112.8K366 R367 Y368 K372 G373K366-R370 WeakPolarHBondContact O-CB 3.48Å; K366-R370 VanDerWaalsContact O-CG 3.24Å; K366-R370 WeakPolarHBondContact O-CG 3.25Å; K366-R370 PolarHBondContact O-N 2.99Å; R367-R370 PolarHBondContact O-N 2.93Å; Y368-R370 VanDerWaalsContact C-N 3.33Å; Y368-R370 PolarHBondContact O-N 3.36Å; R370-K372 VanDerWaalsContact C-N 3.34Å; R370-G373 PolarHBondContact O-N 2.87Å
371L84.5Confident76.1Confident128 Ų12874.3 Ų74.367%0.6737%0.368SS*.Hα-helixtrans-67.2-34.4179.8-75.3169.1000112.6R367 Y368 G373R367-L371 HydrophobicContact CG-CD1 3.98Å; R367-L371 WeakPolarHBondContact O-CB 3.23Å; R367-L371 VanDerWaalsContact O-CG 3.27Å; R367-L371 WeakPolarHBondContact O-CG 3.47Å; R367-L371 PolarHBondContact O-N 3.46Å; Y368-L371 PolarHBondContact O-N 3.45Å; L371-G373 VanDerWaalsContact C-N 3.33Å
372K81.5Confident74.9Confident94 Ų9474.8 Ų74.841%0.40937%0.373SS..Hα-helixtrans-82.4-8.8177.2-74.4-78-174173.60113.7Y368 R370 V374 E417Y368-K372 PolarHBondContact O-N 3.41Å; R370-K372 VanDerWaalsContact C-N 3.34Å; K372-V374 HydrophobicContact CB-CG2 4.22Å; K372-E417 VanDerWaalsContact NZ-CG 3.28Å; K372-E417 IonicContact NZ-OE1 2.99Å
373G73Confident74.2Confident47 Ų4778.9 Ų78.949%0.48539%0.391SS..THydrogen-bonded Turntrans70.536.9174.300000114.2L369 R370 L371 H375L369-G373 PolarHBondContact O-N 2.93Å; R370-G373 PolarHBondContact O-N 2.87Å; L371-G373 VanDerWaalsContact C-N 3.33Å; G373-H375 PolarHBondContact O-N 3.38Å
374V67.8Low73.6Confident28 Ų2884.2 Ų84.217%0.1741%0.406CS..PPolyproline II helixtrans-71130-176.1-169.40000111.3L369 K372 T420 Y423L369-V374 HydrophobicContact CD2-CG2 4.08Å; L369-V374 PolarHBondContact O-N 3.44Å; K372-V374 HydrophobicContact CB-CG2 4.22Å; V374-T420 HydrophobicContact CG2-CG2 3.72Å; V374-Y423 HydrophobicContact CG1-CD1 3.53Å; V374-Y423 HydrophobicContact CG1-CE1 3.68Å
375H60.5Low73Confident147 Ų14785.9 Ų85.968%0.68142%0.421SS*.PPolyproline II helixtrans-80.2151.1176.8-65.2-57000112.1G373G373-H375 PolarHBondContact O-N 3.38Å
376S59.8Low72.5Confident13 Ų1388.1 Ų88.19%0.09143%0.434CS..PPolyproline II helixtrans-69.7165.9178.7-167.80000112.6K378 G379 D380S376-K378 PolarHBondContact O-N 2.83Å; S376-G379 PolarHBondContact O-N 3.03Å; S376-D380 WeakPolarHBondContact CB-O 3.43Å; S376-D380 PolarHBondContact N-O 3.21Å
377L56.4Low72.2Confident53 Ų5387.5 Ų87.528%0.27743%0.431SS..THydrogen-bonded Turntrans-46.2-27.6175.1-16282.3000114.3I427 Y430L377-I427 HydrophobicContact CD1-CB 3.91Å; L377-I427 HydrophobicContact CD1-CD1 4.49Å; L377-I427 HydrophobicContact CD1-CG1 3.72Å; L377-I427 HydrophobicContact CD1-CG2 3.59Å; L377-Y430 HydrophobicContact CD1-CD1 4.16Å; L377-Y430 HydrophobicContact CD1-CG 4.39Å; L377-Y430 HydrophobicContact CD2-CD1 3.56Å; L377-Y430 HydrophobicContact CD2-CE1 3.62Å; L377-Y430 HydrophobicContact CD2-CG 4.32Å
378K52.4Low72.1Confident177 Ų17781.8 Ų81.877%0.7741%0.412SS*.THydrogen-bonded Turntrans-115.610.8-176.1-66.9-174.5176.2-176.10114.4S376 D380S376-K378 PolarHBondContact O-N 2.83Å; K378-D380 PolarHBondContact O-N 2.83Å; K378-D380 VanDerWaalsContact O-N 3.17Å
379G57.9Low71.8Confident59 Ų5983.4 Ų83.461%0.60842%0.421SS*.SBendtrans74.8-10-172.300000114.9S376S376-G379 PolarHBondContact O-N 3.03Å
380D56.8Low71.8Confident107 Ų10783.4 Ų83.457%0.57242%0.421SS*.SBendtrans-74.1169.6174-90.5-11.3000113.4S376 K378 L382S376-D380 WeakPolarHBondContact CB-O 3.43Å; S376-D380 PolarHBondContact N-O 3.21Å; K378-D380 PolarHBondContact O-N 2.83Å; K378-D380 VanDerWaalsContact O-N 3.17Å; D380-L382 PolarHBondContact O-N 3.49Å
381E61.3Low72Confident179 Ų17976.4 Ų76.484%0.83639%0.394SS*.  trans-51.8134.3171.6-66.6-171.1164.800111.9K383E381-K383 PolarHBondContact O-N 3.32Å
382L64.1Low72Confident46 Ų4674.3 Ų74.324%0.24138%0.384CS..  trans-58104-178.2-166.271000111.3D380 L387 Y423D380-L382 PolarHBondContact O-N 3.49Å; L382-L387 HydrophobicContact CD1-CD2 4.03Å; L382-L387 HydrophobicContact CD1-CG 4.38Å; L382-L387 HydrophobicContact CD2-CD1 3.59Å; L382-L387 HydrophobicContact CD2-CD2 3.94Å; L382-L387 HydrophobicContact CD2-CG 4.06Å; L382-L387 HydrophobicContact CG-CD1 3.87Å; L382-L387 HydrophobicContact CG-CD2 4.02Å; L382-L387 HydrophobicContact CG-CG 3.93Å; L382-Y423 HydrophobicContact CD1-CE1 4.32Å; L382-Y423 VanDerWaalsContact CD1-OH 3.27Å; L382-Y423 WeakPolarHBondContact CD1-OH 3.47Å
383K72.3Confident72Confident122 Ų12275.7 Ų75.753%0.5339%0.39SS..  trans-69135.4179.9-66.4-177.3-178.1178.80110.3E381 S385 D386 L387E381-K383 PolarHBondContact O-N 3.32Å; K383-S385 PolarHBondContact O-N 2.93Å; K383-D386 PolarHBondContact O-N 2.75Å; K383-L387 PolarHBondContact O-N 3.33Å
384R76.2Confident72.6Confident185 Ų18575.8 Ų75.870%0.69838%0.376SS*.Hα-helixtrans-59.3-32.5178.5-70.3-176.3-178.4177.41.6112.6D388R384-D388 PolarHBondContact O-N 3.32Å
385S78.9Confident73.5Confident68 Ų6874.5 Ų74.548%0.47637%0.368SS..Hα-helixtrans-59-44.9177.3480000112.5K383 D388 E389K383-S385 PolarHBondContact O-N 2.93Å; S385-D388 PolarHBondContact O-N 3.44Å; S385-E389 PolarHBondContact O-N 3.01Å
386D80.1Confident74.7Confident48 Ų4870.4 Ų70.426%0.25735%0.347SS..Hα-helixtrans-72.4-37.4-171.1-52.8-3.9000109.5K383 E389 F390K383-D386 PolarHBondContact O-N 2.75Å; D386-E389 PolarHBondContact O-N 3.42Å; D386-F390 PolarHBondContact O-N 3.4Å
387L84Confident75.9Confident3 Ų370.4 Ų70.42%0.01635%0.348CS..Hα-helixtrans-64.9-42.2170.9-66.4-178.6000113K366 L369 L382 K383 E389 F390 I391 Y423K366-L387 HydrophobicContact CG-CB 4.44Å; K366-L387 HydrophobicContact CG-CD1 4Å; L369-L387 HydrophobicContact CD1-CD2 3.56Å; L382-L387 HydrophobicContact CD1-CD2 4.03Å; L382-L387 HydrophobicContact CD1-CG 4.38Å; L382-L387 HydrophobicContact CD2-CD1 3.59Å; L382-L387 HydrophobicContact CD2-CD2 3.94Å; L382-L387 HydrophobicContact CD2-CG 4.06Å; L382-L387 HydrophobicContact CG-CD1 3.87Å; L382-L387 HydrophobicContact CG-CD2 4.02Å; L382-L387 HydrophobicContact CG-CG 3.93Å; K383-L387 PolarHBondContact O-N 3.33Å; L387-E389 VanDerWaalsContact C-N 3.26Å; L387-E389 PolarHBondContact O-N 3.47Å; L387-F390 PolarHBondContact O-N 3.26Å; L387-I391 WeakPolarHBondContact O-CB 3.36Å; L387-I391 WeakPolarHBondContact O-CD1 3.21Å; L387-I391 WeakPolarHBondContact O-CG1 3.49Å; L387-I391 PolarHBondContact O-N 3.06Å; L387-Y423 HydrophobicContact CD2-CE2 3.89Å
388D85.7Confident77.3Confident42 Ų4268.4 Ų68.423%0.22534%0.337CS..Hα-helixtrans-64.9-35.6177.5-79.5-43000111.2K362 K366 R384 S385 D392K362-D388 VanDerWaalsContact CD-OD1 3.3Å; K362-D388 WeakPolarHBondContact CD-OD1 3.44Å; K362-D388 IonicContact NZ-OD1 2.75Å; K362-D388 PolarHBondContact NZ-OD1 3.26Å; K362-D388 VanDerWaalsContact NZ-OD1 3.1Å; K366-D388 VanDerWaalsContact CE-OD1 3.31Å; K366-D388 WeakPolarHBondContact CE-OD1 3.45Å; K366-D388 IonicContact NZ-OD1 3.62Å; K366-D388 PolarHBondContact NZ-OD1 2.87Å; K366-D388 IonicContact NZ-OD2 2.67Å; K366-D388 PolarHBondContact NZ-OD2 3.37Å; R384-D388 PolarHBondContact O-N 3.32Å; S385-D388 PolarHBondContact O-N 3.44Å; D388-D392 VanDerWaalsContact O-CB 3.28Å; D388-D392 WeakPolarHBondContact O-CB 3.35Å; D388-D392 PolarHBondContact O-N 3.03Å
389E83.7Confident79.1Confident53 Ų5360 Ų6025%0.24830%0.301CS..Hα-helixtrans-67.2-47173.7178.1157.6-152.500112.8S385 D386 L387 I391 D392 K393S385-E389 PolarHBondContact O-N 3.01Å; D386-E389 PolarHBondContact O-N 3.42Å; L387-E389 VanDerWaalsContact C-N 3.26Å; L387-E389 PolarHBondContact O-N 3.47Å; E389-I391 VanDerWaalsContact C-N 3.3Å; E389-I391 PolarHBondContact O-N 3.25Å; E389-D392 PolarHBondContact O-N 3.32Å; E389-K393 HydrophobicContact CG-CD 3.96Å; E389-K393 HydrophobicContact CG-CG 4.38Å; E389-K393 WeakPolarHBondContact O-CB 3.44Å; E389-K393 PolarHBondContact O-N 3.27Å; E389-K393 WeakPolarHBondContact OE1-CE 3.45Å; E389-K393 IonicContact OE1-NZ 2.94Å; E389-K393 PolarHBondContact OE1-NZ 2.66Å
390F87Confident80.7Confident1 Ų157.2 Ų57.20%0.00427%0.272CS..Iπ-helixtrans-53.8-48.3172.5170.4-111.8000111I365 L369 D386 L387 Y394 L395 L422 Y423 F426I365-F390 HydrophobicContact CG2-CE1 4.1Å; L369-F390 HydrophobicContact CD1-CD1 4.42Å; L369-F390 HydrophobicContact CD1-CE1 4.35Å; D386-F390 PolarHBondContact O-N 3.4Å; L387-F390 PolarHBondContact O-N 3.26Å; F390-Y394 AromaticContact CD2-CD1 3.7Å; F390-Y394 HydrophobicContact CD2-CD1 3.7Å; F390-Y394 HydrophobicContact CD2-CG 4.11Å; F390-Y394 AromaticContact CE2-CD1 3.35Å; F390-Y394 HydrophobicContact CE2-CD1 3.35Å; F390-Y394 AromaticContact CE2-CE1 3.86Å; F390-Y394 HydrophobicContact CE2-CE1 3.86Å; F390-Y394 HydrophobicContact CE2-CG 4.22Å; F390-Y394 HydrophobicContact CZ-CD1 4.35Å; F390-Y394 WeakPolarHBondContact O-CA 3.38Å; F390-Y394 WeakPolarHBondContact O-CB 3.4Å; F390-Y394 PolarHBondContact O-N 3.33Å; F390-Y394 VanDerWaalsContact O-N 3.14Å; F390-L395 PolarHBondContact O-N 3.1Å; F390-L422 HydrophobicContact CZ-CB 4.2Å; F390-Y423 HydrophobicContact CB-CD2 4.42Å; F390-Y423 HydrophobicContact CB-CE2 4.45Å; F390-Y423 AromaticContact CD1-CD2 3.97Å; F390-Y423 HydrophobicContact CD1-CD2 3.97Å; F390-Y423 HydrophobicContact CD2-CD2 4.1Å; F390-Y423 HydrophobicContact CE1-CD2 4.22Å; F390-Y423 HydrophobicContact CE2-CD2 4.32Å; F390-Y423 AromaticContact CG-CD2 3.91Å; F390-Y423 HydrophobicContact CG-CD2 3.91Å; F390-Y423 HydrophobicContact CG-CE2 4.42Å; F390-Y423 HydrophobicContact CZ-CD2 4.39Å; F390-F426 HydrophobicContact CB-CD1 4.21Å; F390-F426 HydrophobicContact CB-CE1 4.08Å; F390-F426 HydrophobicContact CB-CZ 4.39Å; F390-F426 HydrophobicContact CD2-CB 3.68Å; F390-F426 AromaticContact CD2-CD1 3.81Å; F390-F426 HydrophobicContact CD2-CD1 3.81Å; F390-F426 HydrophobicContact CD2-CD2 4.05Å; F390-F426 HydrophobicContact CD2-CE1 4.47Å; F390-F426 AromaticContact CD2-CG 3.56Å; F390-F426 HydrophobicContact CD2-CG 3.56Å; F390-F426 HydrophobicContact CE2-CB 3.81Å; F390-F426 HydrophobicContact CE2-CG 4.22Å; F390-F426 HydrophobicContact CG-CD1 4.39Å
391I88Confident82.3Confident4 Ų452.1 Ų52.12%0.02125%0.245CC..Iπ-helixtrans-70.4-45.1-176.6-63.6161.5000111.7K362 I365 K366 L387 E389 R396 V400K362-I391 HydrophobicContact CB-CD1 4.23Å; K362-I391 HydrophobicContact CG-CB 4.44Å; K362-I391 HydrophobicContact CG-CD1 4.32Å; K362-I391 HydrophobicContact CG-CG2 3.84Å; I365-I391 HydrophobicContact CB-CD1 3.92Å; I365-I391 HydrophobicContact CB-CG1 4.1Å; I365-I391 HydrophobicContact CG2-CD1 4.09Å; I365-I391 HydrophobicContact CG2-CG1 3.97Å; K366-I391 HydrophobicContact CG-CD1 4.03Å; L387-I391 WeakPolarHBondContact O-CB 3.36Å; L387-I391 WeakPolarHBondContact O-CD1 3.21Å; L387-I391 WeakPolarHBondContact O-CG1 3.49Å; L387-I391 PolarHBondContact O-N 3.06Å; E389-I391 VanDerWaalsContact C-N 3.3Å; E389-I391 PolarHBondContact O-N 3.25Å; I391-R396 WeakPolarHBondContact O-CA 3.2Å; I391-R396 PolarHBondContact O-N 3.26Å; I391-V400 HydrophobicContact CG2-CG2 4.18Å
392D85.1Confident83.6Confident85 Ų8544 Ų4446%0.45521%0.207SC..Iπ-helixtrans-80-36-173.6-72.8-25.3000113.4K362 D388 E389K362-D392 WeakPolarHBondContact CE-OD1 3.48Å; K362-D392 WeakPolarHBondContact CE-OD2 3.31Å; K362-D392 IonicContact NZ-OD1 3.06Å; K362-D392 PolarHBondContact NZ-OD1 3.37Å; K362-D392 IonicContact NZ-OD2 3.89Å; K362-D392 PolarHBondContact NZ-OD2 2.77Å; D388-D392 VanDerWaalsContact O-CB 3.28Å; D388-D392 WeakPolarHBondContact O-CB 3.35Å; D388-D392 PolarHBondContact O-N 3.03Å; E389-D392 PolarHBondContact O-N 3.32Å
393K81.7Confident85Confident122 Ų12241.8 Ų41.853%0.5320%0.196SC..Iπ-helixtrans-99.3-46.1-174.9-62.6-170.7-168.4164.90113.2E389 R396E389-K393 HydrophobicContact CG-CD 3.96Å; E389-K393 HydrophobicContact CG-CG 4.38Å; E389-K393 WeakPolarHBondContact O-CB 3.44Å; E389-K393 PolarHBondContact O-N 3.27Å; E389-K393 WeakPolarHBondContact OE1-CE 3.45Å; E389-K393 IonicContact OE1-NZ 2.94Å; E389-K393 PolarHBondContact OE1-NZ 2.66Å; K393-R396 PolarHBondContact O-NE 3.35Å
394Y85.4Confident85.9Confident49 Ų4937.1 Ų37.119%0.19218%0.175CC..Iπ-helixtrans-81.2-65.9-176.1-171-101.6000110.8E170 F390 F426E170-Y394 HydrophobicContact CG-CE1 4.46Å; E170-Y394 WeakPolarHBondContact CG-OH 3.28Å; E170-Y394 PolarHBondContact OE1-OH 2.88Å; F390-Y394 AromaticContact CD2-CD1 3.7Å; F390-Y394 HydrophobicContact CD2-CD1 3.7Å; F390-Y394 HydrophobicContact CD2-CG 4.11Å; F390-Y394 AromaticContact CE2-CD1 3.35Å; F390-Y394 HydrophobicContact CE2-CD1 3.35Å; F390-Y394 AromaticContact CE2-CE1 3.86Å; F390-Y394 HydrophobicContact CE2-CE1 3.86Å; F390-Y394 HydrophobicContact CE2-CG 4.22Å; F390-Y394 HydrophobicContact CZ-CD1 4.35Å; F390-Y394 WeakPolarHBondContact O-CA 3.38Å; F390-Y394 WeakPolarHBondContact O-CB 3.4Å; F390-Y394 PolarHBondContact O-N 3.33Å; F390-Y394 VanDerWaalsContact O-N 3.14Å; Y394-F426 HydrophobicContact CD1-CB 4.22Å; Y394-F426 HydrophobicContact CD1-CD2 4.35Å; Y394-F426 HydrophobicContact CD2-CB 4.46Å; Y394-F426 AromaticContact CD2-CD2 3.62Å; Y394-F426 HydrophobicContact CD2-CD2 3.62Å; Y394-F426 HydrophobicContact CD2-CE2 4.41Å; Y394-F426 HydrophobicContact CD2-CG 4.5Å; Y394-F426 HydrophobicContact CE1-CB 4.12Å; Y394-F426 HydrophobicContact CE2-CB 4.38Å; Y394-F426 HydrophobicContact CE2-CD2 4.19Å; Y394-F426 HydrophobicContact CG-CB 4.36Å; Y394-F426 AromaticContact CG-CD2 3.68Å; Y394-F426 HydrophobicContact CG-CD2 3.68Å; Y394-F426 HydrophobicContact CG-CE2 4.44Å; Y394-F426 HydrophobicContact CG-CG 4.37Å
395L87Confident86.6Confident2 Ų228.4 Ų28.41%0.0114%0.142CC..Iπ-helixtrans-73.2-37.9-174.7-174.464.9000113.2I173 I365 F390 G399 V400 I403I173-L395 HydrophobicContact CD1-CD1 3.9Å; I365-L395 HydrophobicContact CD1-CD2 3.84Å; I365-L395 HydrophobicContact CG1-CD2 3.88Å; F390-L395 PolarHBondContact O-N 3.1Å; L395-G399 VanDerWaalsContact O-CA 3.24Å; L395-G399 WeakPolarHBondContact O-CA 3.49Å; L395-G399 PolarHBondContact O-N 3.36Å; L395-V400 HydrophobicContact CD2-CB 4.46Å; L395-V400 HydrophobicContact CD2-CG2 3.49Å; L395-V400 VanDerWaalsContact CD2-CG2 3.49Å; L395-V400 HydrophobicContact CG-CG2 4.01Å; L395-I403 HydrophobicContact CD1-CD1 3.54Å; L395-I403 HydrophobicContact CD1-CG1 4.45Å; L395-I403 HydrophobicContact CD2-CD1 3.79Å; L395-I403 HydrophobicContact CG-CD1 4.3Å
396R85.3Confident87.1Confident61 Ų6125.1 Ų25.123%0.2312%0.119CC..Hα-helixtrans58.7-176.7-178.3-54.5175.3174.2-155.9-3.8113.3I391 K393 V400I391-R396 WeakPolarHBondContact O-CA 3.2Å; I391-R396 PolarHBondContact O-N 3.26Å; K393-R396 PolarHBondContact O-NE 3.35Å; R396-V400 WeakPolarHBondContact O-CG2 3.44Å; R396-V400 PolarHBondContact O-N 2.58Å
397A85.3Confident87.7Confident13 Ų1323.8 Ų23.811%0.10711%0.113CC..Hα-helixtrans-67.4-46.9-178.500000112.4T206 I209 G399 V400 F401T206-A397 HydrophobicContact CG2-CB 4.01Å; I209-A397 HydrophobicContact CD1-CB 3.71Å; A397-G399 PolarHBondContact O-N 2.98Å; A397-V400 PolarHBondContact O-N 2.95Å; A397-F401 PolarHBondContact O-N 2.9Å
398D86.1Confident87.9Confident10 Ų1026.6 Ų26.65%0.05313%0.127CC..Hα-helixtrans-62.2-38.8179.1-77-17.5000112G205 T206 N207 L208 I209 F401 I402G205-D398 WeakPolarHBondContact CA-OD2 3.5Å; G205-D398 VanDerWaalsContact O-CB 3.29Å; G205-D398 WeakPolarHBondContact O-CB 3.44Å; G205-D398 PolarHBondContact O-N 3Å; G205-D398 VanDerWaalsContact O-OD2 3.06Å; T206-D398 VanDerWaalsContact C-OD1 3.29Å; T206-D398 VanDerWaalsContact CA-OD1 3.28Å; T206-D398 WeakPolarHBondContact CA-OD1 3.48Å; T206-D398 PolarHBondContact N-OD2 3.34Å; N207-D398 PolarHBondContact N-OD1 3.4Å; N207-D398 PolarHBondContact N-OD2 3.03Å; N207-D398 VanDerWaalsContact N-OD2 3.08Å; L208-D398 HydrophobicContact CB-CB 4.4Å; L208-D398 PolarHBondContact N-OD1 3.04Å; L208-D398 PolarHBondContact N-OD2 3.13Å; I209-D398 WeakPolarHBondContact CG1-OD1 3.5Å; I209-D398 PolarHBondContact N-OD1 3.39Å; D398-F401 WeakPolarHBondContact O-CB 3.48Å; D398-F401 PolarHBondContact O-N 3.34Å; D398-F401 VanDerWaalsContact O-N 3.16Å; D398-I402 WeakPolarHBondContact O-CG1 3.46Å; D398-I402 PolarHBondContact O-N 3.14Å
399G89.2Confident87.9Confident1 Ų125.2 Ų25.21%0.0112%0.12CC..Hα-helixtrans-65.2-40.8175.100000112.8L395 A397 F401 I402 I403L395-G399 VanDerWaalsContact O-CA 3.24Å; L395-G399 WeakPolarHBondContact O-CA 3.49Å; L395-G399 PolarHBondContact O-N 3.36Å; A397-G399 PolarHBondContact O-N 2.98Å; G399-F401 VanDerWaalsContact C-N 3.26Å; G399-F401 PolarHBondContact O-N 3.11Å; G399-I402 PolarHBondContact O-N 2.86Å; G399-I403 WeakPolarHBondContact O-CG1 3.27Å; G399-I403 PolarHBondContact O-N 2.73Å
400V90.8Very high88.1Confident1 Ų123.2 Ų23.21%0.00611%0.111CC..Hα-helixtrans-61.9-37.6172.4176.20000111.1R361 I365 I391 L395 R396 A397 R404R361-V400 HydrophobicContact CB-CG1 4.09Å; R361-V400 HydrophobicContact CG-CG1 4.32Å; I365-V400 HydrophobicContact CD1-CG2 4.47Å; I365-V400 HydrophobicContact CG1-CG1 4.5Å; I365-V400 HydrophobicContact CG1-CG2 4.03Å; I391-V400 HydrophobicContact CG2-CG2 4.18Å; L395-V400 HydrophobicContact CD2-CB 4.46Å; L395-V400 HydrophobicContact CD2-CG2 3.49Å; L395-V400 VanDerWaalsContact CD2-CG2 3.49Å; L395-V400 HydrophobicContact CG-CG2 4.01Å; R396-V400 WeakPolarHBondContact O-CG2 3.44Å; R396-V400 PolarHBondContact O-N 2.58Å; A397-V400 PolarHBondContact O-N 2.95Å; V400-R404 HydrophobicContact CG1-CG 4.47Å; V400-R404 WeakPolarHBondContact O-CB 3.5Å; V400-R404 VanDerWaalsContact O-CG 3.28Å; V400-R404 WeakPolarHBondContact O-CG 3.26Å; V400-R404 PolarHBondContact O-N 2.91Å
401F90.4Very high88.1Confident0 Ų024.6 Ų24.60%013%0.126CC..Hα-helixtrans-62.5-48.3175.1173.8-97.3000111.7W128 L208 I209 Y212 W351 M355 A397 D398 G399 I403 R404 M405W128-F401 HydrophobicContact CH2-CE1 4.2Å; W128-F401 HydrophobicContact CH2-CZ 4.14Å; W128-F401 HydrophobicContact CZ2-CZ 4.38Å; L208-F401 HydrophobicContact CD2-CD1 3.63Å; L208-F401 HydrophobicContact CD2-CE1 3.84Å; L208-F401 HydrophobicContact CG-CD1 3.88Å; L208-F401 HydrophobicContact CG-CE1 3.81Å; I209-F401 HydrophobicContact CD1-CB 4.1Å; I209-F401 HydrophobicContact CG1-CB 3.65Å; I209-F401 HydrophobicContact CG1-CD1 4.5Å; I209-F401 HydrophobicContact CG1-CD2 4.04Å; I209-F401 HydrophobicContact CG1-CG 3.81Å; Y212-F401 AromaticContact CD1-CE2 3.47Å; Y212-F401 HydrophobicContact CD1-CE2 3.47Å; Y212-F401 VanDerWaalsContact CD1-CE2 3.47Å; Y212-F401 AromaticContact CD1-CZ 3.67Å; Y212-F401 HydrophobicContact CD1-CZ 3.67Å; Y212-F401 HydrophobicContact CD2-CZ 4.08Å; Y212-F401 AromaticContact CE1-CE2 3.86Å; Y212-F401 HydrophobicContact CE1-CE2 3.86Å; Y212-F401 HydrophobicContact CE1-CZ 4.14Å; Y212-F401 AromaticContact CG-CE2 3.9Å; Y212-F401 HydrophobicContact CG-CE2 3.9Å; Y212-F401 AromaticContact CG-CZ 3.59Å; Y212-F401 HydrophobicContact CG-CZ 3.59Å; W351-F401 HydrophobicContact CE3-CD2 4.15Å; W351-F401 AromaticContact CE3-CE2 3.94Å; W351-F401 HydrophobicContact CE3-CE2 3.94Å; W351-F401 HydrophobicContact CH2-CD2 4.27Å; W351-F401 AromaticContact CH2-CE2 3.89Å; W351-F401 HydrophobicContact CH2-CE2 3.89Å; W351-F401 AromaticContact CZ3-CD2 3.56Å; W351-F401 HydrophobicContact CZ3-CD2 3.56Å; W351-F401 AromaticContact CZ3-CE2 3.46Å; W351-F401 HydrophobicContact CZ3-CE2 3.46Å; W351-F401 VanDerWaalsContact CZ3-CE2 3.46Å; M355-F401 HydrophobicContact CE-CB 3.69Å; M355-F401 HydrophobicContact CE-CD2 4.29Å; M355-F401 HydrophobicContact CE-CG 4.48Å; M355-F401 HydrophobicContact SD-CD2 4.36Å; A397-F401 PolarHBondContact O-N 2.9Å; D398-F401 WeakPolarHBondContact O-CB 3.48Å; D398-F401 PolarHBondContact O-N 3.34Å; D398-F401 VanDerWaalsContact O-N 3.16Å; G399-F401 VanDerWaalsContact C-N 3.26Å; G399-F401 PolarHBondContact O-N 3.11Å; F401-I403 PolarHBondContact O-N 3.37Å; F401-R404 WeakPolarHBondContact O-CB 3.46Å; F401-R404 PolarHBondContact O-N 3.07Å; F401-M405 WeakPolarHBondContact O-CB 3.07Å; F401-M405 PolarHBondContact O-N 2.98Å
402I90.1Very high88.2Confident7 Ų728.9 Ų28.94%0.03615%0.149CC..Hα-helixtrans-58.2-48.5177.7-68.2167000110.4L143 I169 M172 L208 D398 G399 R404 M405 L406L143-I402 HydrophobicContact CD2-CG2 3.37Å; I169-I402 HydrophobicContact CG1-CG2 4.32Å; M172-I402 HydrophobicContact CE-CD1 4.13Å; L208-I402 HydrophobicContact CD2-CD1 4.04Å; L208-I402 HydrophobicContact CD2-CG1 3.68Å; D398-I402 WeakPolarHBondContact O-CG1 3.46Å; D398-I402 PolarHBondContact O-N 3.14Å; G399-I402 PolarHBondContact O-N 2.86Å; I402-R404 VanDerWaalsContact C-N 3.32Å; I402-R404 PolarHBondContact O-N 2.91Å; I402-M405 WeakPolarHBondContact O-CB 3.24Å; I402-M405 PolarHBondContact O-N 3.36Å; I402-M405 VanDerWaalsContact O-N 3.11Å; I402-L406 WeakPolarHBondContact O-CB 3.46Å; I402-L406 PolarHBondContact O-N 3.02Å
403I92.5Very high88.4Confident1 Ų129.5 Ų29.51%0.00516%0.155CC..Hα-helixtrans-62-40.5179.1-67.3177000111.3F364 I365 L395 G399 F401 M405 L406 T407 T415 V419 L422F364-I403 HydrophobicContact CE1-CG2 4.1Å; I365-I403 HydrophobicContact CD1-CB 4.47Å; I365-I403 HydrophobicContact CD1-CD1 4.13Å; I365-I403 HydrophobicContact CD1-CG2 4.01Å; L395-I403 HydrophobicContact CD1-CD1 3.54Å; L395-I403 HydrophobicContact CD1-CG1 4.45Å; L395-I403 HydrophobicContact CD2-CD1 3.79Å; L395-I403 HydrophobicContact CG-CD1 4.3Å; G399-I403 WeakPolarHBondContact O-CG1 3.27Å; G399-I403 PolarHBondContact O-N 2.73Å; F401-I403 PolarHBondContact O-N 3.37Å; I403-M405 VanDerWaalsContact C-N 3.33Å; I403-M405 PolarHBondContact O-N 3.5Å; I403-L406 WeakPolarHBondContact O-CB 3.48Å; I403-L406 PolarHBondContact O-N 3.23Å; I403-T407 PolarHBondContact O-N 3.2Å; I403-T407 PolarHBondContact O-OG1 3.2Å; I403-T415 HydrophobicContact CG2-CG2 3.57Å; I403-V419 HydrophobicContact CD1-CG2 4.08Å; I403-V419 HydrophobicContact CG2-CG2 3.77Å; I403-L422 HydrophobicContact CD1-CD1 3.85Å
404R92.1Very high88.8Confident23 Ų2324 Ų249%0.08713%0.132CC..Hα-helixtrans-62.7-42.2174.2-77.8-177.8179.8-715.6111.9W351 K360 F364 V400 F401 I402 L406 T407 I408W351-R404 HydrophobicContact CH2-CB 4.41Å; W351-R404 HydrophobicContact CZ3-CB 4.41Å; K360-R404 PolarHBondContact O-NH2 3.25Å; K360-R404 VanDerWaalsContact O-NH2 3.12Å; F364-R404 HydrophobicContact CD1-CG 3.89Å; F364-R404 HydrophobicContact CE1-CB 4.44Å; F364-R404 HydrophobicContact CE1-CG 3.41Å; F364-R404 VanDerWaalsContact CE1-CG 3.41Å; F364-R404 HydrophobicContact CE2-CG 4.38Å; F364-R404 VanDerWaalsContact CG-CZ 3.47Å; F364-R404 VanDerWaalsContact CG-NH1 3.32Å; F364-R404 HydrophobicContact CZ-CG 3.68Å; V400-R404 HydrophobicContact CG1-CG 4.47Å; V400-R404 WeakPolarHBondContact O-CB 3.5Å; V400-R404 VanDerWaalsContact O-CG 3.28Å; V400-R404 WeakPolarHBondContact O-CG 3.26Å; V400-R404 PolarHBondContact O-N 2.91Å; F401-R404 WeakPolarHBondContact O-CB 3.46Å; F401-R404 PolarHBondContact O-N 3.07Å; I402-R404 VanDerWaalsContact C-N 3.32Å; I402-R404 PolarHBondContact O-N 2.91Å; R404-L406 VanDerWaalsContact C-N 3.29Å; R404-T407 WeakPolarHBondContact O-CB 3.08Å; R404-T407 PolarHBondContact O-N 3.29Å; R404-I408 WeakPolarHBondContact O-CG1 3.46Å; R404-I408 PolarHBondContact O-N 3.37Å
405M90.2Very high89.1Confident2 Ų221.7 Ų21.71%0.0112%0.123CC..Hα-helixtrans-66.1-37.1178.8-158.861.7-172.300111.7V21 W351 F401 I402 I403 I408 N409V21-M405 HydrophobicContact CB-CE 4.45Å; V21-M405 HydrophobicContact CG1-CB 4.44Å; V21-M405 HydrophobicContact CG1-CE 3.69Å; V21-M405 HydrophobicContact CG1-CG 3.27Å; V21-M405 HydrophobicContact CG1-SD 4.33Å; V21-M405 WeakPolarHBondContact O-CE 3.45Å; W351-M405 HydrophobicContact CH2-SD 3.8Å; W351-M405 HydrophobicContact CZ2-SD 3.76Å; F401-M405 WeakPolarHBondContact O-CB 3.07Å; F401-M405 PolarHBondContact O-N 2.98Å; I402-M405 WeakPolarHBondContact O-CB 3.24Å; I402-M405 PolarHBondContact O-N 3.36Å; I402-M405 VanDerWaalsContact O-N 3.11Å; I403-M405 VanDerWaalsContact C-N 3.33Å; I403-M405 PolarHBondContact O-N 3.5Å; M405-I408 PolarHBondContact O-N 3.33Å; M405-N409 PolarHBondContact O-N 3.15Å; M405-N409 PolarHBondContact O-ND2 3.11Å
406L90.3Very high89.3Confident0 Ų021.7 Ų21.70%012%0.123CC..Hα-helixtrans-62.5-42.9171.9-159.968000111.8V144 A147 I402 I403 R404 I408 N409 S410 I418V144-L406 HydrophobicContact CB-CD1 4.48Å; V144-L406 HydrophobicContact CG2-CD1 4.01Å; A147-L406 HydrophobicContact CB-CD1 3.4Å; A147-L406 VanDerWaalsContact CB-CD1 3.4Å; A147-L406 HydrophobicContact CB-CD2 4.18Å; A147-L406 HydrophobicContact CB-CG 4.06Å; I402-L406 WeakPolarHBondContact O-CB 3.46Å; I402-L406 PolarHBondContact O-N 3.02Å; I403-L406 WeakPolarHBondContact O-CB 3.48Å; I403-L406 PolarHBondContact O-N 3.23Å; R404-L406 VanDerWaalsContact C-N 3.29Å; L406-I408 VanDerWaalsContact C-N 3.3Å; L406-I408 PolarHBondContact O-N 2.99Å; L406-N409 PolarHBondContact O-N 2.83Å; L406-S410 WeakPolarHBondContact O-CB 3.44Å; L406-S410 PolarHBondContact O-N 2.76Å; L406-I418 HydrophobicContact CD2-CD1 3.42Å; L406-I418 VanDerWaalsContact CD2-CD1 3.42Å
407T91.1Very high89.7Confident20 Ų2020.3 Ų20.312%0.12312%0.12CC..Hα-helixtrans-58.1-44.2179-50.40000111.6Y368 I403 R404 N409 G411 D412 T415Y368-T407 WeakPolarHBondContact OH-CG2 3.28Å; I403-T407 PolarHBondContact O-N 3.2Å; I403-T407 PolarHBondContact O-OG1 3.2Å; R404-T407 WeakPolarHBondContact O-CB 3.08Å; R404-T407 PolarHBondContact O-N 3.29Å; T407-N409 VanDerWaalsContact C-N 3.27Å; T407-N409 PolarHBondContact O-N 3.12Å; T407-G411 WeakPolarHBondContact O-CA 3.47Å; T407-G411 PolarHBondContact O-N 3.09Å; T407-G411 VanDerWaalsContact O-N 3.17Å; T407-D412 WeakPolarHBondContact CG2-OD1 3.46Å; T407-T415 WeakPolarHBondContact CA-OG1 3.48Å; T407-T415 WeakPolarHBondContact OG1-CG2 3.36Å
408I89.1Confident90.1Very high61 Ų6119.8 Ų19.831%0.31312%0.115SC..Hα-helixtrans-66-31.7-178-67.2167.1000111.5W351 R404 M405 L406W351-I408 HydrophobicContact CH2-CD1 4Å; W351-I408 HydrophobicContact CZ2-CD1 3.63Å; R404-I408 WeakPolarHBondContact O-CG1 3.46Å; R404-I408 PolarHBondContact O-N 3.37Å; M405-I408 PolarHBondContact O-N 3.33Å; L406-I408 VanDerWaalsContact C-N 3.3Å; L406-I408 PolarHBondContact O-N 2.99Å
409N86.2Confident90.4Very high13 Ų1319.3 Ų19.37%0.0711%0.113CC..Hα-helixtrans-103.3-42-171.6-69-61.4000114.1T20 E22 R27 V144 M405 L406 T407T20-N409 PolarHBondContact O-OD1 2.9Å; T20-N409 VanDerWaalsContact O-OD1 3.12Å; E22-N409 PolarHBondContact O-OD1 2.64Å; R27-N409 PolarHBondContact NH2-OD1 2.96Å; V144-N409 HydrophobicContact CG1-CB 3.5Å; V144-N409 VanDerWaalsContact CG1-CB 3.5Å; M405-N409 PolarHBondContact O-N 3.15Å; M405-N409 PolarHBondContact O-ND2 3.11Å; L406-N409 PolarHBondContact O-N 2.83Å; T407-N409 VanDerWaalsContact C-N 3.27Å; T407-N409 PolarHBondContact O-N 3.12Å
410S86.6Confident90.5Very high11 Ų1121 Ų218%0.07712%0.123CC..Hα-helixtrans-99.4-14.5-176.2-49.30000113.2V144 A147 L406V144-S410 PolarHBondContact O-OG 3.15Å; A147-S410 WeakPolarHBondContact CB-OG 3.36Å; L406-S410 WeakPolarHBondContact O-CB 3.44Å; L406-S410 PolarHBondContact O-N 2.76Å
411G88.5Confident90.5Very high30 Ų3024.1 Ų24.131%0.30914%0.137SC..  trans93.1166.4176.900000115.1T407 T415T407-G411 WeakPolarHBondContact O-CA 3.47Å; T407-G411 PolarHBondContact O-N 3.09Å; T407-G411 VanDerWaalsContact O-N 3.17Å; G411-T415 WeakPolarHBondContact O-CB 3.46Å; G411-T415 PolarHBondContact O-N 3.45Å; G411-T415 PolarHBondContact O-OG1 3.36Å
412D89.8Confident90.6Very high95 Ų9524.1 Ų24.151%0.50814%0.137SC..Hα-helixtrans-69.4-34.9-171.5-76.4-46000114.3Y368 T407 G416Y368-D412 HydrophobicContact CE1-CB 4.35Å; Y368-D412 PolarHBondContact OH-OD1 3.19Å; T407-D412 WeakPolarHBondContact CG2-OD1 3.46Å; D412-G416 PolarHBondContact O-N 3.42Å
413V88.9Confident90.7Very high97 Ų9724 Ų2459%0.58814%0.136SC*.Hα-helixtrans-66-50.7-173178.60000111.1G416 E417V413-G416 PolarHBondContact O-N 3.5Å; V413-E417 PolarHBondContact O-N 2.93Å
414I90Very high90.5Very high7 Ų727.8 Ų27.84%0.03615%0.154CC..Hα-helixtrans-68.7-41179.5-60.8-58.5000110.8A151 R158 V162 G416 E417 I418A151-I414 HydrophobicContact CB-CD1 4.24Å; A151-I414 HydrophobicContact CB-CG1 3.7Å; R158-I414 HydrophobicContact CG-CD1 4.19Å; V162-I414 HydrophobicContact CG2-CG2 4.47Å; I414-G416 VanDerWaalsContact C-N 3.26Å; I414-G416 PolarHBondContact O-N 3.49Å; I414-E417 PolarHBondContact O-N 2.77Å; I414-E417 VanDerWaalsContact O-N 3.1Å; I414-I418 HydrophobicContact CG2-CD1 3.68Å; I414-I418 HydrophobicContact CG2-CG1 4.31Å; I414-I418 WeakPolarHBondContact O-CG1 3.2Å; I414-I418 PolarHBondContact O-N 3.36Å
415T92.2Very high90.4Very high0 Ų027.7 Ų27.70%016%0.155CC..Hα-helixtrans-57.7-41.9174.6-55.40000111.2I403 T407 G411 E417 I418 V419I403-T415 HydrophobicContact CG2-CG2 3.57Å; T407-T415 WeakPolarHBondContact CA-OG1 3.48Å; T407-T415 WeakPolarHBondContact OG1-CG2 3.36Å; G411-T415 WeakPolarHBondContact O-CB 3.46Å; G411-T415 PolarHBondContact O-N 3.45Å; G411-T415 PolarHBondContact O-OG1 3.36Å; T415-E417 VanDerWaalsContact C-N 3.34Å; T415-E417 PolarHBondContact O-N 2.94Å; T415-I418 PolarHBondContact O-N 3.1Å; T415-V419 HydrophobicContact CG2-CG2 4.22Å; T415-V419 WeakPolarHBondContact O-CB 3.27Å; T415-V419 WeakPolarHBondContact O-CG2 3.41Å; T415-V419 PolarHBondContact O-N 3.24Å
416G91.8Very high90.2Very high2 Ų228.2 Ų28.22%0.02116%0.157CC..Hα-helixtrans-63.4-36.2176.600000113.7D412 V413 I414 T420D412-G416 PolarHBondContact O-N 3.42Å; V413-G416 PolarHBondContact O-N 3.5Å; I414-G416 VanDerWaalsContact C-N 3.26Å; I414-G416 PolarHBondContact O-N 3.49Å; G416-T420 PolarHBondContact O-N 3.48Å; G416-T420 PolarHBondContact O-OG1 2.92Å
417E92Very high90Very high33 Ų3328.8 Ų28.815%0.15416%0.161CC..Hα-helixtrans-67.6-45.8174.1-66.6-177.917800111R158 V162 K372 V413 I414 T415 V419 T420 E421R158-E417 IonicContact CZ-OE1 3.45Å; R158-E417 IonicContact CZ-OE2 3.61Å; R158-E417 IonicContact NE-OE1 3.51Å; R158-E417 IonicContact NE-OE2 2.85Å; R158-E417 PolarHBondContact NE-OE2 3.03Å; R158-E417 IonicContact NH2-OE1 2.75Å; R158-E417 PolarHBondContact NH2-OE1 3.44Å; R158-E417 IonicContact NH2-OE2 3.6Å; V162-E417 HydrophobicContact CG1-CB 4.06Å; V162-E417 HydrophobicContact CG2-CB 4.18Å; K372-E417 VanDerWaalsContact NZ-CG 3.28Å; K372-E417 IonicContact NZ-OE1 2.99Å; V413-E417 PolarHBondContact O-N 2.93Å; I414-E417 PolarHBondContact O-N 2.77Å; I414-E417 VanDerWaalsContact O-N 3.1Å; T415-E417 VanDerWaalsContact C-N 3.34Å; T415-E417 PolarHBondContact O-N 2.94Å; E417-V419 PolarHBondContact O-N 3.47Å; E417-T420 WeakPolarHBondContact O-CB 2.93Å; E417-T420 PolarHBondContact O-N 3.2Å; E417-T420 VanDerWaalsContact O-N 3.15Å; E417-E421 PolarHBondContact O-N 3.46Å
418I93.5Very high89.8Confident1 Ų131.8 Ų31.81%0.00517%0.173CC..Hα-helixtrans-61.9-43.6177.4-65.5164.6000111.7A147 V162 V165 I169 L406 I414 T415 T420 E421 L422A147-I418 HydrophobicContact CB-CD1 4.29Å; V162-I418 HydrophobicContact CB-CG1 4.42Å; V162-I418 HydrophobicContact CG1-CB 4.46Å; V162-I418 HydrophobicContact CG1-CG1 3.79Å; V162-I418 HydrophobicContact CG2-CG1 4.29Å; V165-I418 HydrophobicContact CB-CD1 4.32Å; V165-I418 HydrophobicContact CG1-CD1 3.54Å; V165-I418 HydrophobicContact CG1-CG1 4.13Å; V165-I418 HydrophobicContact CG1-CG2 4.45Å; I169-I418 HydrophobicContact CD1-CG2 3.73Å; L406-I418 HydrophobicContact CD2-CD1 3.42Å; L406-I418 VanDerWaalsContact CD2-CD1 3.42Å; I414-I418 HydrophobicContact CG2-CD1 3.68Å; I414-I418 HydrophobicContact CG2-CG1 4.31Å; I414-I418 WeakPolarHBondContact O-CG1 3.2Å; I414-I418 PolarHBondContact O-N 3.36Å; T415-I418 PolarHBondContact O-N 3.1Å; I418-T420 PolarHBondContact O-N 3.19Å; I418-E421 PolarHBondContact O-N 3.1Å; I418-L422 HydrophobicContact CG2-CD1 4Å; I418-L422 HydrophobicContact CG2-CG 4.35Å; I418-L422 WeakPolarHBondContact O-CB 3.31Å; I418-L422 VanDerWaalsContact O-CG 3.28Å; I418-L422 WeakPolarHBondContact O-CG 3.49Å; I418-L422 PolarHBondContact O-N 2.93Å
419V93.5Very high89.5Confident1 Ų132.4 Ų32.41%0.00617%0.174CC..Hα-helixtrans-62.4-35.7177170.50000111.4I365 L369 I403 T415 E417 Y423I365-V419 HydrophobicContact CG2-CG1 4.18Å; L369-V419 HydrophobicContact CD2-CG1 3.73Å; L369-V419 HydrophobicContact CG-CG1 3.86Å; I403-V419 HydrophobicContact CD1-CG2 4.08Å; I403-V419 HydrophobicContact CG2-CG2 3.77Å; T415-V419 HydrophobicContact CG2-CG2 4.22Å; T415-V419 WeakPolarHBondContact O-CB 3.27Å; T415-V419 WeakPolarHBondContact O-CG2 3.41Å; T415-V419 PolarHBondContact O-N 3.24Å; E417-V419 PolarHBondContact O-N 3.47Å; V419-Y423 PolarHBondContact O-N 3.49Å
420T91.5Very high89.2Confident37 Ų3734.6 Ų34.623%0.22718%0.182CC..Hα-helixtrans-68.8-44.8177.4-57.20000110.7V374 G416 E417 I418 Y423 Q424V374-T420 HydrophobicContact CG2-CG2 3.72Å; G416-T420 PolarHBondContact O-N 3.48Å; G416-T420 PolarHBondContact O-OG1 2.92Å; E417-T420 WeakPolarHBondContact O-CB 2.93Å; E417-T420 PolarHBondContact O-N 3.2Å; E417-T420 VanDerWaalsContact O-N 3.15Å; I418-T420 PolarHBondContact O-N 3.19Å; T420-Y423 PolarHBondContact O-N 3.43Å; T420-Q424 PolarHBondContact O-N 3.24Å
421E91.4Very high88.9Confident66 Ų6637.8 Ų37.831%0.30820%0.198SC..Hα-helixtrans-61.8-46.3177.2-164.268-17700111.9V162 A166 E417 I418 Y423 Q424 N425V162-E421 HydrophobicContact CG1-CB 4.24Å; A166-E421 HydrophobicContact CB-CB 4.07Å; A166-E421 HydrophobicContact CB-CG 3.87Å; E417-E421 PolarHBondContact O-N 3.46Å; I418-E421 PolarHBondContact O-N 3.1Å; E421-Y423 PolarHBondContact O-N 2.99Å; E421-Q424 WeakPolarHBondContact O-CB 3.49Å; E421-Q424 PolarHBondContact O-N 3.43Å; E421-Q424 VanDerWaalsContact O-N 3.07Å; E421-N425 PolarHBondContact O-N 3.16Å
422L92.4Very high88.5Confident0 Ų042 Ų420%021%0.208CC..Hα-helixtrans-58.6-34.6175.5-73.6171.8000112.7A166 I169 E170 F390 I403 I418 F426A166-L422 HydrophobicContact CB-CD2 3.9Å; A166-L422 HydrophobicContact CB-CG 4.04Å; I169-L422 HydrophobicContact CB-CD2 4.39Å; I169-L422 HydrophobicContact CD1-CD1 4.35Å; I169-L422 HydrophobicContact CG2-CD1 4.19Å; I169-L422 HydrophobicContact CG2-CD2 4.28Å; E170-L422 HydrophobicContact CG-CD2 3.67Å; F390-L422 HydrophobicContact CZ-CB 4.2Å; I403-L422 HydrophobicContact CD1-CD1 3.85Å; I418-L422 HydrophobicContact CG2-CD1 4Å; I418-L422 HydrophobicContact CG2-CG 4.35Å; I418-L422 WeakPolarHBondContact O-CB 3.31Å; I418-L422 VanDerWaalsContact O-CG 3.28Å; I418-L422 WeakPolarHBondContact O-CG 3.49Å; I418-L422 PolarHBondContact O-N 2.93Å; L422-F426 WeakPolarHBondContact O-CB 3.45Å; L422-F426 PolarHBondContact O-N 3.49Å; L422-F426 VanDerWaalsContact O-N 3.11Å
423Y90.4Very high87.8Confident4 Ų438.3 Ų38.32%0.01619%0.191CC..Hα-helixtrans-74.7-36.6176.8-176.6-99.7000111.9L369 V374 L382 L387 F390 V419 T420 E421 F426 I427L369-Y423 HydrophobicContact CD1-CD2 4.2Å; L369-Y423 HydrophobicContact CD1-CG 4.49Å; L369-Y423 HydrophobicContact CD2-CG 4.06Å; V374-Y423 HydrophobicContact CG1-CD1 3.53Å; V374-Y423 HydrophobicContact CG1-CE1 3.68Å; L382-Y423 HydrophobicContact CD1-CE1 4.32Å; L382-Y423 VanDerWaalsContact CD1-OH 3.27Å; L382-Y423 WeakPolarHBondContact CD1-OH 3.47Å; L387-Y423 HydrophobicContact CD2-CE2 3.89Å; F390-Y423 HydrophobicContact CB-CD2 4.42Å; F390-Y423 HydrophobicContact CB-CE2 4.45Å; F390-Y423 AromaticContact CD1-CD2 3.97Å; F390-Y423 HydrophobicContact CD1-CD2 3.97Å; F390-Y423 HydrophobicContact CD2-CD2 4.1Å; F390-Y423 HydrophobicContact CE1-CD2 4.22Å; F390-Y423 HydrophobicContact CE2-CD2 4.32Å; F390-Y423 AromaticContact CG-CD2 3.91Å; F390-Y423 HydrophobicContact CG-CD2 3.91Å; F390-Y423 HydrophobicContact CG-CE2 4.42Å; F390-Y423 HydrophobicContact CZ-CD2 4.39Å; V419-Y423 PolarHBondContact O-N 3.49Å; T420-Y423 PolarHBondContact O-N 3.43Å; E421-Y423 PolarHBondContact O-N 2.99Å; Y423-F426 HydrophobicContact CD2-CD1 4.44Å; Y423-F426 HydrophobicContact CE2-CD1 4.36Å; Y423-F426 WeakPolarHBondContact O-CB 3.37Å; Y423-F426 PolarHBondContact O-N 3.11Å; Y423-I427 HydrophobicContact CD1-CD1 3.81Å; Y423-I427 HydrophobicContact CD1-CG1 4.44Å; Y423-I427 HydrophobicContact CE1-CD1 3.33Å; Y423-I427 HydrophobicContact CE1-CG1 4.11Å; Y423-I427 WeakPolarHBondContact O-CG1 3.44Å; Y423-I427 PolarHBondContact O-N 3.38Å
424Q89Confident87.1Confident80 Ų8036.6 Ų36.637%0.37418%0.178SC..Hα-helixtrans-63.7-45.9173.6-176.560.124.800111.2T420 E421 F426 I427 E428T420-Q424 PolarHBondContact O-N 3.24Å; E421-Q424 WeakPolarHBondContact O-CB 3.49Å; E421-Q424 PolarHBondContact O-N 3.43Å; E421-Q424 VanDerWaalsContact O-N 3.07Å; Q424-F426 VanDerWaalsContact C-N 3.3Å; Q424-F426 PolarHBondContact O-N 3.36Å; Q424-I427 WeakPolarHBondContact O-CB 3.44Å; Q424-I427 PolarHBondContact O-N 2.71Å; Q424-I427 VanDerWaalsContact O-N 3.09Å; Q424-E428 WeakPolarHBondContact O-CG 3.45Å; Q424-E428 PolarHBondContact O-N 2.95Å
425N89.4Confident86.3Confident22 Ų2239.8 Ų39.812%0.11820%0.201CC..Hα-helixtrans-58.2-42.6174-70.3-2.3000111.7E170 E421 I427 E428 H429E170-N425 WeakPolarHBondContact OE1-CB 3.29Å; E170-N425 PolarHBondContact OE1-ND2 3.31Å; E170-N425 PolarHBondContact OE2-ND2 2.96Å; E421-N425 PolarHBondContact O-N 3.16Å; N425-I427 VanDerWaalsContact C-N 3.34Å; N425-I427 PolarHBondContact O-N 3.32Å; N425-E428 PolarHBondContact O-N 3.18Å; N425-H429 PolarHBondContact O-CD2 2.96Å; N425-H429 PolarHBondContact O-N 2.89Å
426F87.5Confident85.2Confident12 Ų1244.2 Ų44.25%0.05322%0.224CC..Hα-helixtrans-59-43.3174.3169.9-104000112.6F390 Y394 L422 Y423 Q424 H429 Y430 F449F390-F426 HydrophobicContact CB-CD1 4.21Å; F390-F426 HydrophobicContact CB-CE1 4.08Å; F390-F426 HydrophobicContact CB-CZ 4.39Å; F390-F426 HydrophobicContact CD2-CB 3.68Å; F390-F426 AromaticContact CD2-CD1 3.81Å; F390-F426 HydrophobicContact CD2-CD1 3.81Å; F390-F426 HydrophobicContact CD2-CD2 4.05Å; F390-F426 HydrophobicContact CD2-CE1 4.47Å; F390-F426 AromaticContact CD2-CG 3.56Å; F390-F426 HydrophobicContact CD2-CG 3.56Å; F390-F426 HydrophobicContact CE2-CB 3.81Å; F390-F426 HydrophobicContact CE2-CG 4.22Å; F390-F426 HydrophobicContact CG-CD1 4.39Å; Y394-F426 HydrophobicContact CD1-CB 4.22Å; Y394-F426 HydrophobicContact CD1-CD2 4.35Å; Y394-F426 HydrophobicContact CD2-CB 4.46Å; Y394-F426 AromaticContact CD2-CD2 3.62Å; Y394-F426 HydrophobicContact CD2-CD2 3.62Å; Y394-F426 HydrophobicContact CD2-CE2 4.41Å; Y394-F426 HydrophobicContact CD2-CG 4.5Å; Y394-F426 HydrophobicContact CE1-CB 4.12Å; Y394-F426 HydrophobicContact CE2-CB 4.38Å; Y394-F426 HydrophobicContact CE2-CD2 4.19Å; Y394-F426 HydrophobicContact CG-CB 4.36Å; Y394-F426 AromaticContact CG-CD2 3.68Å; Y394-F426 HydrophobicContact CG-CD2 3.68Å; Y394-F426 HydrophobicContact CG-CE2 4.44Å; Y394-F426 HydrophobicContact CG-CG 4.37Å; L422-F426 WeakPolarHBondContact O-CB 3.45Å; L422-F426 PolarHBondContact O-N 3.49Å; L422-F426 VanDerWaalsContact O-N 3.11Å; Y423-F426 HydrophobicContact CD2-CD1 4.44Å; Y423-F426 HydrophobicContact CE2-CD1 4.36Å; Y423-F426 WeakPolarHBondContact O-CB 3.37Å; Y423-F426 PolarHBondContact O-N 3.11Å; Q424-F426 VanDerWaalsContact C-N 3.3Å; Q424-F426 PolarHBondContact O-N 3.36Å; F426-H429 PolarHBondContact O-N 2.94Å; F426-Y430 WeakPolarHBondContact O-CB 3.5Å; F426-Y430 PolarHBondContact O-N 2.81Å; F426-F449 HydrophobicContact CE2-CE1 4.21Å; F426-F449 HydrophobicContact CE2-CZ 4.2Å
427I85.6Confident83.6Confident13 Ų1346.5 Ų46.57%0.06724%0.236CC..Hα-helixtrans-60.7-45.7175.5-76.8176.6000111L377 Y423 Q424 N425 H429 Y430 N431L377-I427 HydrophobicContact CD1-CB 3.91Å; L377-I427 HydrophobicContact CD1-CD1 4.49Å; L377-I427 HydrophobicContact CD1-CG1 3.72Å; L377-I427 HydrophobicContact CD1-CG2 3.59Å; Y423-I427 HydrophobicContact CD1-CD1 3.81Å; Y423-I427 HydrophobicContact CD1-CG1 4.44Å; Y423-I427 HydrophobicContact CE1-CD1 3.33Å; Y423-I427 HydrophobicContact CE1-CG1 4.11Å; Y423-I427 WeakPolarHBondContact O-CG1 3.44Å; Y423-I427 PolarHBondContact O-N 3.38Å; Q424-I427 WeakPolarHBondContact O-CB 3.44Å; Q424-I427 PolarHBondContact O-N 2.71Å; Q424-I427 VanDerWaalsContact O-N 3.09Å; N425-I427 VanDerWaalsContact C-N 3.34Å; N425-I427 PolarHBondContact O-N 3.32Å; I427-H429 PolarHBondContact O-N 3.33Å; I427-Y430 WeakPolarHBondContact O-CB 3.27Å; I427-Y430 PolarHBondContact O-N 2.92Å; I427-N431 PolarHBondContact O-N 2.85Å; I427-N431 PolarHBondContact O-ND2 2.92Å
428E86.1Confident82.2Confident82 Ų8252.5 Ų52.538%0.38326%0.261SS..Hα-helixtrans-63.1-42.6179.2-71-175.5-168.700112.2Q424 N425 Y430 N431 K432Q424-E428 WeakPolarHBondContact O-CG 3.45Å; Q424-E428 PolarHBondContact O-N 2.95Å; N425-E428 PolarHBondContact O-N 3.18Å; E428-Y430 VanDerWaalsContact C-N 3.34Å; E428-N431 PolarHBondContact O-N 3.48Å; E428-K432 WeakPolarHBondContact O-CB 3.39Å; E428-K432 VanDerWaalsContact O-CG 3.31Å; E428-K432 WeakPolarHBondContact O-CG 3.45Å; E428-K432 PolarHBondContact O-N 3.09Å
429H83.3Confident80.6Confident74 Ų7455.8 Ų55.834%0.34330%0.295SS..Hα-helixtrans-61.5-42.2173.1-82.3-67.6000111.9N425 F426 I427 K432 A433 L452N425-H429 PolarHBondContact O-CD2 2.96Å; N425-H429 PolarHBondContact O-N 2.89Å; F426-H429 PolarHBondContact O-N 2.94Å; I427-H429 PolarHBondContact O-N 3.33Å; H429-K432 PolarHBondContact O-N 3.46Å; H429-A433 PolarHBondContact O-N 3.42Å; H429-A433 VanDerWaalsContact O-N 3.1Å; H429-L452 HydrophobicContact CB-CD2 4Å; H429-L452 WeakPolarHBondContact O-CD2 3.48Å
430Y80.6Confident78.4Confident60 Ų6062.1 Ų62.124%0.23533%0.325CS..Hα-helixtrans-60.5-47.5176.3-170.4-75.1000111.4L377 F426 I427 E428 K432 A433 D434 F449L377-Y430 HydrophobicContact CD1-CD1 4.16Å; L377-Y430 HydrophobicContact CD1-CG 4.39Å; L377-Y430 HydrophobicContact CD2-CD1 3.56Å; L377-Y430 HydrophobicContact CD2-CE1 3.62Å; L377-Y430 HydrophobicContact CD2-CG 4.32Å; F426-Y430 WeakPolarHBondContact O-CB 3.5Å; F426-Y430 PolarHBondContact O-N 2.81Å; I427-Y430 WeakPolarHBondContact O-CB 3.27Å; I427-Y430 PolarHBondContact O-N 2.92Å; E428-Y430 VanDerWaalsContact C-N 3.34Å; Y430-K432 PolarHBondContact O-N 3.22Å; Y430-A433 PolarHBondContact O-N 3.32Å; Y430-D434 PolarHBondContact O-N 2.93Å; Y430-F449 AromaticContact CD2-CE2 3.4Å; Y430-F449 HydrophobicContact CD2-CE2 3.4Å; Y430-F449 VanDerWaalsContact CD2-CE2 3.4Å; Y430-F449 AromaticContact CD2-CZ 3.48Å; Y430-F449 HydrophobicContact CD2-CZ 3.48Å; Y430-F449 VanDerWaalsContact CD2-CZ 3.48Å; Y430-F449 AromaticContact CE2-CE2 3.58Å; Y430-F449 HydrophobicContact CE2-CE2 3.58Å; Y430-F449 HydrophobicContact CE2-CZ 4.14Å; Y430-F449 HydrophobicContact CG-CE2 4.34Å; Y430-F449 HydrophobicContact CG-CZ 4.26Å
431N80.1Confident76Confident77 Ų7767.9 Ų67.941%0.41235%0.354SS..Hα-helixtrans-65.1-39-179.2-72.1-21.7000112.6I427 E428 A433 D434 S435I427-N431 PolarHBondContact O-N 2.85Å; I427-N431 PolarHBondContact O-ND2 2.92Å; E428-N431 PolarHBondContact O-N 3.48Å; N431-A433 VanDerWaalsContact C-N 3.3Å; N431-A433 PolarHBondContact O-N 3.17Å; N431-D434 PolarHBondContact O-N 2.75Å; N431-S435 PolarHBondContact O-N 3.18Å; N431-S435 VanDerWaalsContact O-N 3.09Å; N431-S435 PolarHBondContact O-OG 3.04Å
432K80.4Confident74Confident120 Ų12070.4 Ų70.452%0.52238%0.376SS..Hα-helixtrans-63.4-35.1174-73.6170.3-175.9166.90112.1E428 H429 Y430 S435 I436E428-K432 WeakPolarHBondContact O-CB 3.39Å; E428-K432 VanDerWaalsContact O-CG 3.31Å; E428-K432 WeakPolarHBondContact O-CG 3.45Å; E428-K432 PolarHBondContact O-N 3.09Å; H429-K432 PolarHBondContact O-N 3.46Å; Y430-K432 PolarHBondContact O-N 3.22Å; K432-S435 PolarHBondContact O-OG 3.14Å; K432-I436 WeakPolarHBondContact O-CD1 3.05Å; K432-I436 VanDerWaalsContact O-CG1 3.29Å; K432-I436 WeakPolarHBondContact O-CG1 3.32Å; K432-I436 PolarHBondContact O-N 3.45Å
433A74.5Confident71.5Confident17 Ų1779.1 Ų79.114%0.1442%0.419CS..Hα-helixtrans-73.3-40.5177.600000112.5H429 Y430 N431 S435 I436 D437 L452H429-A433 PolarHBondContact O-N 3.42Å; H429-A433 VanDerWaalsContact O-N 3.1Å; Y430-A433 PolarHBondContact O-N 3.32Å; N431-A433 VanDerWaalsContact C-N 3.3Å; N431-A433 PolarHBondContact O-N 3.17Å; A433-S435 VanDerWaalsContact C-N 3.34Å; A433-I436 PolarHBondContact O-N 2.99Å; A433-D437 PolarHBondContact O-N 3.44Å; A433-D437 VanDerWaalsContact O-N 3.14Å; A433-L452 HydrophobicContact CB-CD1 3.6Å; A433-L452 HydrophobicContact CB-CD2 4.1Å; A433-L452 HydrophobicContact CB-CG 3.62Å
434D75Confident68.8Low60 Ų6088.6 Ų88.632%0.32146%0.46SS..Hα-helixtrans-66.1-34.6178-170.253.6000112.2Y430 N431 K438Y430-D434 PolarHBondContact O-N 2.93Å; N431-D434 PolarHBondContact O-N 2.75Å; D434-K438 WeakPolarHBondContact O-CG 3.38Å; D434-K438 PolarHBondContact O-N 3.09Å; D434-K438 IonicContact OD1-NZ 3.94Å; D434-K438 WeakPolarHBondContact OD2-CE 3.45Å; D434-K438 IonicContact OD2-NZ 2.71Å; D434-K438 PolarHBondContact OD2-NZ 3.12Å
435S72.5Confident66.2Low75 Ų7587.3 Ų87.352%0.52446%0.46SS..Hα-helixtrans-69.5-34175.8640000113.2N431 K432 A433N431-S435 PolarHBondContact O-N 3.18Å; N431-S435 VanDerWaalsContact O-N 3.09Å; N431-S435 PolarHBondContact O-OG 3.04Å; K432-S435 PolarHBondContact O-OG 3.14Å; A433-S435 VanDerWaalsContact C-N 3.34Å
436I68.5Low63.6Low93 Ų9395 Ų9548%0.47750%0.496SS..Hα-helixtrans-68.9-44.5174.9-66166000110.7K432 A433 K438 G439K432-I436 WeakPolarHBondContact O-CD1 3.05Å; K432-I436 VanDerWaalsContact O-CG1 3.29Å; K432-I436 WeakPolarHBondContact O-CG1 3.32Å; K432-I436 PolarHBondContact O-N 3.45Å; A433-I436 PolarHBondContact O-N 2.99Å; I436-K438 PolarHBondContact O-N 3.19Å; I436-G439 PolarHBondContact O-N 2.95Å
437D58.2Low61.2Low49 Ų49102 Ų10226%0.26253%0.532SS..Hα-helixtrans-63.4-39.8-179.1-163.159.6000111.8A433 G439 Q440 S445A433-D437 PolarHBondContact O-N 3.44Å; A433-D437 VanDerWaalsContact O-N 3.14Å; D437-G439 PolarHBondContact O-N 3.39Å; D437-Q440 PolarHBondContact O-N 3.47Å; D437-Q440 VanDerWaalsContact O-N 3.12Å; D437-S445 WeakPolarHBondContact OD1-CB 3.29Å; D437-S445 WeakPolarHBondContact OD2-CB 3.45Å; D437-S445 PolarHBondContact OD2-OG 3.5Å
438K63.5Low58.8Low160 Ų160103.5 Ų103.570%0.69655%0.55SS**THydrogen-bonded Turntrans-64.9-17.5174.2-74171.5179.2157.60114.1D434 I436D434-K438 WeakPolarHBondContact O-CG 3.38Å; D434-K438 PolarHBondContact O-N 3.09Å; D434-K438 IonicContact OD1-NZ 3.94Å; D434-K438 WeakPolarHBondContact OD2-CE 3.45Å; D434-K438 IonicContact OD2-NZ 2.71Å; D434-K438 PolarHBondContact OD2-NZ 3.12Å; I436-K438 PolarHBondContact O-N 3.19Å
439G59.9Low56.8Low70 Ų70103 Ų10372%0.72255%0.547SS*.THydrogen-bonded Turntrans-84.8-12.1174.800000114.6I436 D437I436-G439 PolarHBondContact O-N 2.95Å; D437-G439 PolarHBondContact O-N 3.39Å
440Q46.5Very low54.8Low134 Ų134107.9 Ų107.963%0.62657%0.567SS**SBendtrans-116.7140.1179.5-92.9170.6-31.400111.2D437D437-Q440 PolarHBondContact O-N 3.47Å; D437-Q440 VanDerWaalsContact O-N 3.12Å
441D42.5Very low52.7Low158 Ų158109.1 Ų109.185%0.84558%0.578SS**  trans-40.6128.5-168.9-92.2-41.7000115.2M443D441-M443 PolarHBondContact O-N 3.32Å
442P47.4Very low51Low118 Ų118107 Ų10777%0.76657%0.567SS**THydrogen-bonded Turntrans-74.911.4-164.328.7-35.7000116.1
443M40.7Very low49Very low183 Ų183109.4 Ų109.490%0.90159%0.591SS**THydrogen-bonded Turntrans-91.42.6-173.1-142.3178.5136.500114.8D441D441-M443 PolarHBondContact O-N 3.32Å
444K33.5Very low47.7Very low203 Ų203114.1 Ų114.188%0.88361%0.614SS**SBendtrans-147.958.1177.1-70.6-174.9-179.6169.10113.9
445S34.3Very low46.2Very low53 Ų53116.9 Ų116.937%0.37163%0.629SS.*  trans-12686.9164.964.80000112.7D437 I447D437-S445 WeakPolarHBondContact OD1-CB 3.29Å; D437-S445 WeakPolarHBondContact OD2-CB 3.45Å; D437-S445 PolarHBondContact OD2-OG 3.5Å; S445-I447 PolarHBondContact O-N 2.8Å
446E35.4Very low44.8Very low185 Ų185119.2 Ų119.286%0.86464%0.635SS**  trans-58.7118.9146-92-176.4153.600106.8G448E446-G448 VanDerWaalsContact C-N 3.33Å; E446-G448 PolarHBondContact O-N 3.48Å
447I37.8Very low43.4Very low158 Ų158120.8 Ų120.881%0.8164%0.644SS**SBendtrans-48.597.4175.2-56.7167.3000108.6S445S445-I447 PolarHBondContact O-N 2.8Å
448G34.7Very low42.5Very low44 Ų44125.3 Ų125.345%0.45467%0.668SS.*  trans-156.1113.7-169.100000107.7E446 K450E446-G448 VanDerWaalsContact C-N 3.33Å; E446-G448 PolarHBondContact O-N 3.48Å; G448-K450 PolarHBondContact O-N 3.37Å
449F43.2Very low41.1Very low72 Ų72122.9 Ų122.932%0.31667%0.666SS.*G310 helixtrans-53.727.1174.9-100-130000115.7F426 Y430 N451 L452F426-F449 HydrophobicContact CE2-CE1 4.21Å; F426-F449 HydrophobicContact CE2-CZ 4.2Å; Y430-F449 AromaticContact CD2-CE2 3.4Å; Y430-F449 HydrophobicContact CD2-CE2 3.4Å; Y430-F449 VanDerWaalsContact CD2-CE2 3.4Å; Y430-F449 AromaticContact CD2-CZ 3.48Å; Y430-F449 HydrophobicContact CD2-CZ 3.48Å; Y430-F449 VanDerWaalsContact CD2-CZ 3.48Å; Y430-F449 AromaticContact CE2-CE2 3.58Å; Y430-F449 HydrophobicContact CE2-CE2 3.58Å; Y430-F449 HydrophobicContact CE2-CZ 4.14Å; Y430-F449 HydrophobicContact CG-CE2 4.34Å; Y430-F449 HydrophobicContact CG-CZ 4.26Å; F449-N451 PolarHBondContact O-N 3.37Å; F449-L452 HydrophobicContact CD1-CB 4.05Å; F449-L452 HydrophobicContact CD1-CD1 3.11Å; F449-L452 HydrophobicContact CD1-CG 4.19Å; F449-L452 HydrophobicContact CD2-CD1 3.92Å; F449-L452 HydrophobicContact CE1-CD1 2.93Å; F449-L452 HydrophobicContact CE1-CG 4.27Å; F449-L452 HydrophobicContact CE2-CD1 3.72Å; F449-L452 HydrophobicContact CG-CD1 3.62Å; F449-L452 HydrophobicContact CZ-CD1 3.21Å
450K41.7Very low39.7Very low176 Ų176126.7 Ų126.777%0.76566%0.662SS**G310 helixtrans-61-22171.8-75.4179.7-179.3167.90112.5G448G448-K450 PolarHBondContact O-N 3.37Å
451N35.9Very low39.2Very low86 Ų86126.2 Ų126.246%0.4667%0.665SS.*G310 helixtrans-103.28.4-174.1-61.1-7.8000114.1F449 V453F449-N451 PolarHBondContact O-N 3.37Å; N451-V453 PolarHBondContact O-N 2.73Å
452L44.5Very low38.9Very low34 Ų34123.5 Ų123.518%0.17865%0.65CS.*  trans-93.941.2172.7-91.5159.8000112.2K177 H429 A433 F449K177-L452 PolarHBondContact NZ-O 3.31Å; H429-L452 HydrophobicContact CB-CD2 4Å; H429-L452 WeakPolarHBondContact O-CD2 3.48Å; A433-L452 HydrophobicContact CB-CD1 3.6Å; A433-L452 HydrophobicContact CB-CD2 4.1Å; A433-L452 HydrophobicContact CB-CG 3.62Å; F449-L452 HydrophobicContact CD1-CB 4.05Å; F449-L452 HydrophobicContact CD1-CD1 3.11Å; F449-L452 HydrophobicContact CD1-CG 4.19Å; F449-L452 HydrophobicContact CD2-CD1 3.92Å; F449-L452 HydrophobicContact CE1-CD1 2.93Å; F449-L452 HydrophobicContact CE1-CG 4.27Å; F449-L452 HydrophobicContact CE2-CD1 3.72Å; F449-L452 HydrophobicContact CG-CD1 3.62Å; F449-L452 HydrophobicContact CZ-CD1 3.21Å
453V38.1Very low38.2Very low170 Ų170124 Ų124100%1.0364%0.639SS**  trans-108.80178.7178.60000108.7N451N451-V453 PolarHBondContact O-N 2.73Å

Retrieved 453 of 453 residues in 135.4 ms (Link to these results)

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