G4V985_SCHMA Loading...

Putative DNAj (Hsp40) homolog, subfamily C, member

AlphaFold DB , UniProt , Accession G4V985, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 486 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
1M57.4Low64.7Low215 Ų215134.5 Ų134.5100%1.05966%0.661SS**  0-48.60-85.6-174-163.300113H3 K4M1-H3 PolarHBondContact O-N 2.73Å; M1-K4 PolarHBondContact O-N 2.96Å
2L63.7Low65.3Low141 Ų141135.8 Ų135.874%0.73866%0.655SS**Hα-helixtrans-52.2-41.6-176-80147.6000115.4K4 V5 W6L2-K4 VanDerWaalsContact C-N 3.31Å; L2-K4 PolarHBondContact O-N 3.25Å; L2-V5 PolarHBondContact O-N 3.06Å; L2-W6 PolarHBondContact O-N 3.47Å
3H61.8Low65.8Low175 Ų175135.2 Ų135.281%0.8165%0.648SS**Hα-helixtrans-62.2-32.2177.2-107.8-62.7000114.4M1 A7M1-H3 PolarHBondContact O-N 2.73Å; H3-A7 WeakPolarHBondContact O-CB 3.07Å; H3-A7 PolarHBondContact O-N 2.7Å
4K66.6Low66.3Low177 Ų177130.7 Ų130.777%0.7763%0.634SS**Hα-helixtrans-73.1-33.2178.4-75.1-173.2175.2-176.60112.1M1 L2 S8M1-K4 PolarHBondContact O-N 2.96Å; L2-K4 VanDerWaalsContact C-N 3.31Å; L2-K4 PolarHBondContact O-N 3.25Å; K4-S8 PolarHBondContact O-N 3.48Å; K4-S8 VanDerWaalsContact O-N 3.11Å; K4-S8 PolarHBondContact O-OG 3.13Å; K4-S8 VanDerWaalsContact O-OG 3.14Å
5V67.6Low66.8Low89 Ų89125.7 Ų125.754%0.53961%0.61SS.*Hα-helixtrans-74.6-37.5-179.6-179.30000111.7L2 S8 F9L2-V5 PolarHBondContact O-N 3.06Å; V5-S8 WeakPolarHBondContact CA-OG 3.36Å; V5-S8 PolarHBondContact O-OG 3.1Å; V5-F9 WeakPolarHBondContact O-CB 3.32Å; V5-F9 PolarHBondContact O-N 2.94Å
6W58.4Low67.1Low196 Ų196123 Ų12374%0.74260%0.604SS**Hα-helixtrans-72-38.1175.8-83.640.6000112.3L2 S8 F9 S10L2-W6 PolarHBondContact O-N 3.47Å; W6-S8 VanDerWaalsContact C-N 3.35Å; W6-F9 PolarHBondContact O-N 3.07Å; W6-S10 VanDerWaalsContact O-CB 3.31Å; W6-S10 WeakPolarHBondContact O-CB 3.33Å; W6-S10 PolarHBondContact O-N 3.22Å
7A64.8Low67.1Low62 Ų62118.6 Ų118.651%0.51259%0.588SS.*Hα-helixtrans-62.7-41.8173.700000111.6H3 Y11H3-A7 WeakPolarHBondContact O-CB 3.07Å; H3-A7 PolarHBondContact O-N 2.7Å; A7-Y11 WeakPolarHBondContact O-CB 3.33Å; A7-Y11 PolarHBondContact O-N 3.2Å
8S65.6Low67.3Low49 Ų49120.2 Ų120.234%0.34359%0.591SS.*Hα-helixtrans-67.6-43.4174.956.50000112K4 V5 W6 S10 Y11 Y12K4-S8 PolarHBondContact O-N 3.48Å; K4-S8 VanDerWaalsContact O-N 3.11Å; K4-S8 PolarHBondContact O-OG 3.13Å; K4-S8 VanDerWaalsContact O-OG 3.14Å; V5-S8 WeakPolarHBondContact CA-OG 3.36Å; V5-S8 PolarHBondContact O-OG 3.1Å; W6-S8 VanDerWaalsContact C-N 3.35Å; S8-S10 PolarHBondContact O-N 3.07Å; S8-Y11 PolarHBondContact O-N 3.42Å; S8-Y12 WeakPolarHBondContact O-CD2 3.35Å; S8-Y12 PolarHBondContact O-N 2.85Å
9F68Low67.4Low156 Ų156121.5 Ų121.568%0.68459%0.59SS**Hα-helixtrans-64.2-41.8178.6-162.9-94.9000112.8V5 W6 Y12 F13V5-F9 WeakPolarHBondContact O-CB 3.32Å; V5-F9 PolarHBondContact O-N 2.94Å; W6-F9 PolarHBondContact O-N 3.07Å; F9-Y12 PolarHBondContact O-N 3.41Å; F9-F13 VanDerWaalsContact O-CB 3.3Å; F9-F13 WeakPolarHBondContact O-CB 3.19Å; F9-F13 PolarHBondContact O-N 3.03Å
10S68.1Low67.4Low70 Ų70118.2 Ų118.249%0.4958%0.583SS.*Hα-helixtrans-65.1-39.3173.4179.60000111.7W6 S8 F13 T14W6-S10 VanDerWaalsContact O-CB 3.31Å; W6-S10 WeakPolarHBondContact O-CB 3.33Å; W6-S10 PolarHBondContact O-N 3.22Å; S8-S10 PolarHBondContact O-N 3.07Å; S10-F13 PolarHBondContact O-N 3.38Å; S10-T14 WeakPolarHBondContact O-CB 3.44Å; S10-T14 VanDerWaalsContact O-CG2 3.25Å; S10-T14 WeakPolarHBondContact O-CG2 3.43Å; S10-T14 PolarHBondContact O-N 3.47Å; S10-T14 PolarHBondContact O-OG1 2.86Å
11Y70Confident67.6Low149 Ų149118.2 Ų118.258%0.58459%0.585SS**Hα-helixtrans-64.3-45.2173.9-174.5-98000112A7 S8 T14 L15A7-Y11 WeakPolarHBondContact O-CB 3.33Å; A7-Y11 PolarHBondContact O-N 3.2Å; S8-Y11 PolarHBondContact O-N 3.42Å; Y11-T14 WeakPolarHBondContact CA-OG1 3.44Å; Y11-T14 PolarHBondContact O-OG1 3.46Å; Y11-L15 HydrophobicContact CE1-CD2 4.29Å; Y11-L15 WeakPolarHBondContact O-CB 3.47Å; Y11-L15 PolarHBondContact O-N 3.24Å
12Y71.2Confident68.3Low150 Ų150109.6 Ų109.659%0.58855%0.548SS*.Hα-helixtrans-64.3-42.4176.3-77.4-66.9000112S8 F9 L15 T16S8-Y12 WeakPolarHBondContact O-CD2 3.35Å; S8-Y12 PolarHBondContact O-N 2.85Å; F9-Y12 PolarHBondContact O-N 3.41Å; Y12-L15 PolarHBondContact O-N 2.61Å; Y12-T16 VanDerWaalsContact O-CG2 3.3Å; Y12-T16 WeakPolarHBondContact O-CG2 3.28Å; Y12-T16 PolarHBondContact O-N 2.97Å; Y12-T16 PolarHBondContact O-OG1 2.88Å; Y12-T16 VanDerWaalsContact O-OG1 3.09Å
13F72.2Confident68.6Low128 Ų128106.7 Ų106.756%0.56154%0.535SS*.Hα-helixtrans-67.5-42.3178.3-175.5-97.3000112.5F9 S10 T16 C17F9-F13 VanDerWaalsContact O-CB 3.3Å; F9-F13 WeakPolarHBondContact O-CB 3.19Å; F9-F13 PolarHBondContact O-N 3.03Å; S10-F13 PolarHBondContact O-N 3.38Å; F13-T16 WeakPolarHBondContact CA-OG1 3.39Å; F13-T16 PolarHBondContact O-N 3.17Å; F13-T16 PolarHBondContact O-OG1 3.48Å; F13-C17 VanDerWaalsContact O-CB 3.28Å; F13-C17 WeakPolarHBondContact O-CB 3.28Å; F13-C17 PolarHBondContact O-N 2.63Å; F13-C17 PolarHBondContact O-SG 2.98Å; F13-C17 VanDerWaalsContact O-SG 3.42Å
14T72.9Confident69.2Low73 Ų73104.4 Ų104.445%0.44853%0.529SS..Hα-helixtrans-67.7-38175.550.50000111.6S10 Y11 F18S10-T14 WeakPolarHBondContact O-CB 3.44Å; S10-T14 VanDerWaalsContact O-CG2 3.25Å; S10-T14 WeakPolarHBondContact O-CG2 3.43Å; S10-T14 PolarHBondContact O-N 3.47Å; S10-T14 PolarHBondContact O-OG1 2.86Å; Y11-T14 WeakPolarHBondContact CA-OG1 3.44Å; Y11-T14 PolarHBondContact O-OG1 3.46Å; T14-F18 VanDerWaalsContact O-CB 3.22Å; T14-F18 WeakPolarHBondContact O-CB 3.12Å; T14-F18 PolarHBondContact O-N 2.65Å
15L73.4Confident69.6Low55 Ų5599.3 Ų99.329%0.28852%0.515SS..Hα-helixtrans-64.2-46.6175-171.971.1000111.2Y11 Y12 F18 Y19Y11-L15 HydrophobicContact CE1-CD2 4.29Å; Y11-L15 WeakPolarHBondContact O-CB 3.47Å; Y11-L15 PolarHBondContact O-N 3.24Å; Y12-L15 PolarHBondContact O-N 2.61Å; L15-F18 PolarHBondContact O-N 3.5Å; L15-Y19 HydrophobicContact CD1-CD2 4.15Å; L15-Y19 HydrophobicContact CD1-CE2 3.55Å; L15-Y19 HydrophobicContact CD2-CE2 4.04Å; L15-Y19 HydrophobicContact CG-CD2 3.83Å; L15-Y19 HydrophobicContact CG-CE2 3.49Å; L15-Y19 VanDerWaalsContact CG-CE2 3.49Å; L15-Y19 WeakPolarHBondContact O-CD2 3.32Å; L15-Y19 PolarHBondContact O-N 3.42Å
16T72.4Confident70.1Confident83 Ų8397.7 Ų97.751%0.50951%0.506SS..Hα-helixtrans-66.2-41.3176.755.40000112.2Y12 F13 Y19 A20Y12-T16 VanDerWaalsContact O-CG2 3.3Å; Y12-T16 WeakPolarHBondContact O-CG2 3.28Å; Y12-T16 PolarHBondContact O-N 2.97Å; Y12-T16 PolarHBondContact O-OG1 2.88Å; Y12-T16 VanDerWaalsContact O-OG1 3.09Å; F13-T16 WeakPolarHBondContact CA-OG1 3.39Å; F13-T16 PolarHBondContact O-N 3.17Å; F13-T16 PolarHBondContact O-OG1 3.48Å; T16-Y19 PolarHBondContact O-N 2.87Å; T16-A20 WeakPolarHBondContact O-CB 3.48Å; T16-A20 PolarHBondContact O-N 2.98Å
17C66.6Low71.1Confident49 Ų4992.8 Ų92.833%0.33149%0.494SS..Hα-helixtrans-61.9-41.8173.1-800000112F13 A20 I21F13-C17 VanDerWaalsContact O-CB 3.28Å; F13-C17 WeakPolarHBondContact O-CB 3.28Å; F13-C17 PolarHBondContact O-N 2.63Å; F13-C17 PolarHBondContact O-SG 2.98Å; F13-C17 VanDerWaalsContact O-SG 3.42Å; C17-A20 PolarHBondContact O-N 3.45Å; C17-I21 VanDerWaalsContact O-CG1 3.32Å; C17-I21 WeakPolarHBondContact O-CG1 3.4Å; C17-I21 PolarHBondContact O-N 2.98Å
18F70.8Confident71.7Confident146 Ų14692.9 Ų92.964%0.6450%0.495SS*.Hα-helixtrans-65.2-43.7177.5-170.7-93.5000111.6T14 L15 A20 I21 A22T14-F18 VanDerWaalsContact O-CB 3.22Å; T14-F18 WeakPolarHBondContact O-CB 3.12Å; T14-F18 PolarHBondContact O-N 2.65Å; L15-F18 PolarHBondContact O-N 3.5Å; F18-A20 VanDerWaalsContact C-N 3.33Å; F18-A20 PolarHBondContact O-N 3.1Å; F18-I21 PolarHBondContact O-N 2.9Å; F18-A22 VanDerWaalsContact O-CB 3.3Å; F18-A22 WeakPolarHBondContact O-CB 3.43Å; F18-A22 PolarHBondContact O-N 3.43Å
19Y68.8Low72.8Confident145 Ų14592.6 Ų92.657%0.56949%0.493SS*.Hα-helixtrans-60.4-41173.2-80.7-63.8000112.1L15 T16 A22 T23L15-Y19 HydrophobicContact CD1-CD2 4.15Å; L15-Y19 HydrophobicContact CD1-CE2 3.55Å; L15-Y19 HydrophobicContact CD2-CE2 4.04Å; L15-Y19 HydrophobicContact CG-CD2 3.83Å; L15-Y19 HydrophobicContact CG-CE2 3.49Å; L15-Y19 VanDerWaalsContact CG-CE2 3.49Å; L15-Y19 WeakPolarHBondContact O-CD2 3.32Å; L15-Y19 PolarHBondContact O-N 3.42Å; T16-Y19 PolarHBondContact O-N 2.87Å; Y19-A22 PolarHBondContact O-N 3.09Å; Y19-T23 WeakPolarHBondContact O-CG2 3.09Å; Y19-T23 PolarHBondContact O-N 3.1Å; Y19-T23 PolarHBondContact O-OG1 3.22Å; Y19-T23 VanDerWaalsContact O-OG1 3.1Å
20A67.6Low74Confident55 Ų5585.4 Ų85.446%0.45546%0.461SS..Hα-helixtrans-66.7-39.917800000113.1T16 C17 F18 T23 L24T16-A20 WeakPolarHBondContact O-CB 3.48Å; T16-A20 PolarHBondContact O-N 2.98Å; C17-A20 PolarHBondContact O-N 3.45Å; F18-A20 VanDerWaalsContact C-N 3.33Å; F18-A20 PolarHBondContact O-N 3.1Å; A20-T23 PolarHBondContact O-OG1 3.13Å; A20-L24 WeakPolarHBondContact O-CB 3.5Å; A20-L24 PolarHBondContact O-N 2.94Å; A20-L24 VanDerWaalsContact O-N 3.09Å
21I72.3Confident75.1Confident120 Ų12087 Ų8762%0.61546%0.461SS*.Hα-helixtrans-68.1-42.3175.5-65.9165.5000110.2C17 F18 L24 S25C17-I21 VanDerWaalsContact O-CG1 3.32Å; C17-I21 WeakPolarHBondContact O-CG1 3.4Å; C17-I21 PolarHBondContact O-N 2.98Å; F18-I21 PolarHBondContact O-N 2.9Å; I21-L24 PolarHBondContact O-N 3.48Å; I21-S25 WeakPolarHBondContact O-CB 3.47Å; I21-S25 PolarHBondContact O-N 3Å; I21-S25 PolarHBondContact O-OG 3.32Å
22A71.6Confident76.3Confident34 Ų3484.8 Ų84.828%0.28146%0.459SS..Hα-helixtrans-61.9-46.817800000111.6F18 Y19 L24 S25 V26F18-A22 VanDerWaalsContact O-CB 3.3Å; F18-A22 WeakPolarHBondContact O-CB 3.43Å; F18-A22 PolarHBondContact O-N 3.43Å; Y19-A22 PolarHBondContact O-N 3.09Å; A22-L24 PolarHBondContact O-N 2.61Å; A22-S25 PolarHBondContact O-N 2.84Å; A22-S25 PolarHBondContact O-OG 2.85Å; A22-V26 WeakPolarHBondContact O-CG2 3.49Å; A22-V26 PolarHBondContact O-N 3.31Å
23T71Confident77.4Confident79 Ų7978.6 Ų78.649%0.48544%0.436SS..Hα-helixtrans-63.9-39.4177.2540000112.4Y19 A20 V26 N27Y19-T23 WeakPolarHBondContact O-CG2 3.09Å; Y19-T23 PolarHBondContact O-N 3.1Å; Y19-T23 PolarHBondContact O-OG1 3.22Å; Y19-T23 VanDerWaalsContact O-OG1 3.1Å; A20-T23 PolarHBondContact O-OG1 3.13Å; T23-V26 PolarHBondContact O-N 2.86Å; T23-N27 WeakPolarHBondContact O-CB 3.35Å; T23-N27 PolarHBondContact O-N 3.28Å; T23-N27 PolarHBondContact O-ND2 3.46Å
24L72.7Confident78.6Confident128 Ų12872.5 Ų72.567%0.6741%0.41SS*.Hα-helixtrans-64.4-42.4176.7-16472.3000111.6A20 I21 A22 N27 A28A20-L24 WeakPolarHBondContact O-CB 3.5Å; A20-L24 PolarHBondContact O-N 2.94Å; A20-L24 VanDerWaalsContact O-N 3.09Å; I21-L24 PolarHBondContact O-N 3.48Å; A22-L24 PolarHBondContact O-N 2.61Å; L24-N27 PolarHBondContact O-N 2.9Å; L24-A28 PolarHBondContact O-N 3.39Å
25S76.4Confident79.7Confident70 Ų7073.2 Ų73.249%0.4941%0.408SS..Hα-helixtrans-65.2-41.6177.671.70000112.5I21 A22 S29I21-S25 WeakPolarHBondContact O-CB 3.47Å; I21-S25 PolarHBondContact O-N 3Å; I21-S25 PolarHBondContact O-OG 3.32Å; A22-S25 PolarHBondContact O-N 2.84Å; A22-S25 PolarHBondContact O-OG 2.85Å; S25-S29 WeakPolarHBondContact O-CB 3.34Å; S25-S29 PolarHBondContact O-N 3.46Å
26V78Confident80.8Confident55 Ų5575.7 Ų75.733%0.33342%0.416SS..Hα-helixtrans-63.3-46.2175173.10000110.5A22 T23 A28 S29 V30A22-V26 WeakPolarHBondContact O-CG2 3.49Å; A22-V26 PolarHBondContact O-N 3.31Å; T23-V26 PolarHBondContact O-N 2.86Å; V26-A28 PolarHBondContact O-N 3.46Å; V26-S29 WeakPolarHBondContact O-CB 3.49Å; V26-S29 PolarHBondContact O-N 3.11Å; V26-S29 VanDerWaalsContact O-N 3.17Å; V26-S29 PolarHBondContact O-OG 3.25Å; V26-V30 HydrophobicContact CG1-CG2 4.28Å; V26-V30 WeakPolarHBondContact O-CG2 3.37Å; V26-V30 PolarHBondContact O-N 3.4Å
27N78.3Confident81.9Confident92 Ų9271.7 Ų71.749%0.49239%0.392SS..Hα-helixtrans-61.4-43.9178.6-73.1-15.4000112.7T23 L24 S29 V30 E31T23-N27 WeakPolarHBondContact O-CB 3.35Å; T23-N27 PolarHBondContact O-N 3.28Å; T23-N27 PolarHBondContact O-ND2 3.46Å; L24-N27 PolarHBondContact O-N 2.9Å; N27-S29 VanDerWaalsContact C-N 3.3Å; N27-S29 PolarHBondContact O-N 2.91Å; N27-V30 PolarHBondContact O-N 3.09Å; N27-E31 PolarHBondContact O-N 2.98Å
28A78.5Confident83.3Confident65 Ų6571.6 Ų71.654%0.53739%0.39SS..Hα-helixtrans-62.2-39.3175.100000111.8L24 V26 V30 E31 D32L24-A28 PolarHBondContact O-N 3.39Å; V26-A28 PolarHBondContact O-N 3.46Å; A28-V30 VanDerWaalsContact C-N 3.31Å; A28-V30 PolarHBondContact O-N 2.96Å; A28-E31 PolarHBondContact O-N 3.49Å; A28-D32 PolarHBondContact O-N 3.24Å
29S88.9Confident84.6Confident42 Ų4271.4 Ų71.429%0.29439%0.385SS..Hα-helixtrans-65.7-33.9175.4840000112.8S25 V26 N27 I33S25-S29 WeakPolarHBondContact O-CB 3.34Å; S25-S29 PolarHBondContact O-N 3.46Å; V26-S29 WeakPolarHBondContact O-CB 3.49Å; V26-S29 PolarHBondContact O-N 3.11Å; V26-S29 VanDerWaalsContact O-N 3.17Å; V26-S29 PolarHBondContact O-OG 3.25Å; N27-S29 VanDerWaalsContact C-N 3.3Å; N27-S29 PolarHBondContact O-N 2.91Å; S29-I33 WeakPolarHBondContact O-CD1 3.41Å; S29-I33 VanDerWaalsContact O-CG1 3.23Å; S29-I33 WeakPolarHBondContact O-CG1 3.23Å; S29-I33 PolarHBondContact O-N 3.06Å
30V92.1Very high85.9Confident5 Ų565.7 Ų65.73%0.0336%0.364CS..Hα-helixtrans-71-42.9178.4170.80000110.2V26 N27 A28 D32 I33 L34 A56 K59 S60V26-V30 HydrophobicContact CG1-CG2 4.28Å; V26-V30 WeakPolarHBondContact O-CG2 3.37Å; V26-V30 PolarHBondContact O-N 3.4Å; N27-V30 PolarHBondContact O-N 3.09Å; A28-V30 VanDerWaalsContact C-N 3.31Å; A28-V30 PolarHBondContact O-N 2.96Å; V30-D32 VanDerWaalsContact C-N 3.34Å; V30-D32 PolarHBondContact O-N 3.04Å; V30-I33 WeakPolarHBondContact O-CB 3.5Å; V30-I33 PolarHBondContact O-N 3.1Å; V30-I33 VanDerWaalsContact O-N 3.17Å; V30-L34 HydrophobicContact CG1-CD1 4.25Å; V30-L34 HydrophobicContact CG1-CG 4.27Å; V30-L34 VanDerWaalsContact O-CG 3.32Å; V30-L34 WeakPolarHBondContact O-CG 3.44Å; V30-L34 PolarHBondContact O-N 3.24Å; V30-A56 HydrophobicContact CG1-CB 4.12Å; V30-K59 HydrophobicContact CG2-CB 3.8Å; V30-K59 HydrophobicContact CG2-CD 4.49Å; V30-S60 VanDerWaalsContact CG2-OG 3.22Å; V30-S60 WeakPolarHBondContact CG2-OG 3.19Å
31E92.4Very high87.2Confident103 Ų10364.7 Ų64.748%0.48135%0.351SS..Hα-helixtrans-61.1-41178.7-167.858.5-153.800112.4N27 A28 I33 L34 E35N27-E31 PolarHBondContact O-N 2.98Å; A28-E31 PolarHBondContact O-N 3.49Å; E31-I33 PolarHBondContact O-N 3.16Å; E31-L34 PolarHBondContact O-N 2.88Å; E31-E35 WeakPolarHBondContact O-CB 3.42Å; E31-E35 PolarHBondContact O-N 2.94Å
32D93.8Very high88.2Confident103 Ų10363.3 Ų63.355%0.55136%0.358SS*.Hα-helixtrans-62-41.6174.5-17956.6000112.3A28 V30 L34 E35 K36A28-D32 PolarHBondContact O-N 3.24Å; V30-D32 VanDerWaalsContact C-N 3.34Å; V30-D32 PolarHBondContact O-N 3.04Å; D32-L34 VanDerWaalsContact C-N 3.35Å; D32-L34 PolarHBondContact O-N 3.25Å; D32-E35 PolarHBondContact O-N 3.43Å; D32-K36 WeakPolarHBondContact O-CB 3.35Å; D32-K36 PolarHBondContact O-N 2.94Å
33I95.3Very high89.4Confident20 Ų2065.2 Ų65.210%0.10337%0.369CS..Hα-helixtrans-62.1-44174.8-64.8164.4000110.6S29 V30 E31 E35 K36 G37 L52 A56 K59S29-I33 WeakPolarHBondContact O-CD1 3.41Å; S29-I33 VanDerWaalsContact O-CG1 3.23Å; S29-I33 WeakPolarHBondContact O-CG1 3.23Å; S29-I33 PolarHBondContact O-N 3.06Å; V30-I33 WeakPolarHBondContact O-CB 3.5Å; V30-I33 PolarHBondContact O-N 3.1Å; V30-I33 VanDerWaalsContact O-N 3.17Å; E31-I33 PolarHBondContact O-N 3.16Å; I33-E35 VanDerWaalsContact C-N 3.34Å; I33-E35 PolarHBondContact O-N 3.46Å; I33-K36 PolarHBondContact O-N 3.29Å; I33-G37 PolarHBondContact O-N 2.76Å; I33-L52 HydrophobicContact CG2-CB 3.91Å; I33-L52 HydrophobicContact CG2-CD2 4.32Å; I33-L52 WeakPolarHBondContact CG2-O 3.5Å; I33-A56 HydrophobicContact CB-CB 4.41Å; I33-A56 HydrophobicContact CG2-CB 3.9Å; I33-K59 HydrophobicContact CD1-CD 3.65Å
34L96.3Very high90.4Very high1 Ų163.2 Ų63.21%0.00536%0.364CS..Hα-helixtrans-63.3-40.2178.6-69.4-173.3000112V30 E31 D32 G37 T38 Y53 A56 M65 A66 K69V30-L34 HydrophobicContact CG1-CD1 4.25Å; V30-L34 HydrophobicContact CG1-CG 4.27Å; V30-L34 VanDerWaalsContact O-CG 3.32Å; V30-L34 WeakPolarHBondContact O-CG 3.44Å; V30-L34 PolarHBondContact O-N 3.24Å; E31-L34 PolarHBondContact O-N 2.88Å; D32-L34 VanDerWaalsContact C-N 3.35Å; D32-L34 PolarHBondContact O-N 3.25Å; L34-G37 PolarHBondContact O-N 3.1Å; L34-T38 WeakPolarHBondContact O-CB 3.17Å; L34-T38 PolarHBondContact O-N 3.31Å; L34-T38 PolarHBondContact O-OG1 3.07Å; L34-Y53 HydrophobicContact CD2-CD1 3.71Å; L34-Y53 HydrophobicContact CD2-CE1 4.17Å; L34-A56 HydrophobicContact CD2-CB 3.58Å; L34-A56 HydrophobicContact CG-CB 4.25Å; L34-M65 HydrophobicContact CD1-CB 4.17Å; L34-M65 HydrophobicContact CD1-CG 3.93Å; L34-A66 HydrophobicContact CD1-CB 4.31Å; L34-A66 HydrophobicContact CD2-CB 3.77Å; L34-K69 HydrophobicContact CB-CD 3.93Å; L34-K69 HydrophobicContact CD1-CD 4.42Å; L34-K69 HydrophobicContact CD2-CD 4.23Å; L34-K69 HydrophobicContact CG-CD 4.41Å; L34-K69 PolarHBondContact O-NZ 3.1Å
35E96.3Very high91.5Very high87 Ų8761.7 Ų61.741%0.40735%0.352SS..Hα-helixtrans-70.9-39.9178.3-173.854.5-152.100111.9E31 D32 I33 G37 T38 R39E31-E35 WeakPolarHBondContact O-CB 3.42Å; E31-E35 PolarHBondContact O-N 2.94Å; D32-E35 PolarHBondContact O-N 3.43Å; I33-E35 VanDerWaalsContact C-N 3.34Å; I33-E35 PolarHBondContact O-N 3.46Å; E35-G37 VanDerWaalsContact C-N 3.34Å; E35-G37 PolarHBondContact O-N 3.02Å; E35-T38 PolarHBondContact O-N 3.25Å; E35-R39 PolarHBondContact O-N 3.35Å; E35-R39 PolarHBondContact O-NE 3.1Å
36K96.5Very high92.3Very high107 Ų10761.8 Ų61.847%0.46534%0.344SS..Hα-helixtrans-60.6-44170.8-172.4-177175.5-175.80111.3D32 I33 T38 R39 L40 L52D32-K36 WeakPolarHBondContact O-CB 3.35Å; D32-K36 PolarHBondContact O-N 2.94Å; I33-K36 PolarHBondContact O-N 3.29Å; K36-T38 VanDerWaalsContact C-N 3.31Å; K36-T38 PolarHBondContact O-N 3.36Å; K36-R39 PolarHBondContact O-N 3.22Å; K36-L40 WeakPolarHBondContact O-CG 3.22Å; K36-L40 PolarHBondContact O-N 3.4Å; K36-L52 HydrophobicContact CB-CD1 3.92Å; K36-L52 HydrophobicContact CD-CD1 3.68Å; K36-L52 HydrophobicContact CG-CD1 3.57Å
37G96.6Very high93Very high0 Ų065.6 Ų65.60%036%0.358CS..Hα-helixtrans-60.3-39.3174.200000112.7I33 L34 E35 L40 L41 A49 Y53I33-G37 PolarHBondContact O-N 2.76Å; L34-G37 PolarHBondContact O-N 3.1Å; E35-G37 VanDerWaalsContact C-N 3.34Å; E35-G37 PolarHBondContact O-N 3.02Å; G37-L40 PolarHBondContact O-N 3.21Å; G37-L41 WeakPolarHBondContact O-CB 3.38Å; G37-L41 PolarHBondContact O-N 3.25Å; G37-A49 WeakPolarHBondContact O-CB 3.35Å; G37-Y53 PolarHBondContact O-OH 3.44Å
38T95.9Very high93.8Very high47 Ų4765.9 Ų65.929%0.28836%0.356SS..Hα-helixtrans-65.9-42.1178.8-59.50000111.4L34 E35 K36 L41 A42 Y53 K69L34-T38 WeakPolarHBondContact O-CB 3.17Å; L34-T38 PolarHBondContact O-N 3.31Å; L34-T38 PolarHBondContact O-OG1 3.07Å; E35-T38 PolarHBondContact O-N 3.25Å; K36-T38 VanDerWaalsContact C-N 3.31Å; K36-T38 PolarHBondContact O-N 3.36Å; T38-L41 PolarHBondContact O-N 2.76Å; T38-A42 WeakPolarHBondContact O-CB 3.5Å; T38-A42 PolarHBondContact O-N 3.45Å; T38-Y53 VanDerWaalsContact CA-OH 3.22Å; T38-Y53 WeakPolarHBondContact CA-OH 3.34Å; T38-Y53 PolarHBondContact N-OH 3.14Å; T38-Y53 PolarHBondContact OG1-OH 3.18Å; T38-K69 WeakPolarHBondContact OG1-CE 3.41Å; T38-K69 PolarHBondContact OG1-NZ 3.08Å
39R97.2Very high94.7Very high142 Ų14262.8 Ų62.854%0.53633%0.331SS..Hα-helixtrans-61.9-42.1173.4-73.3-179.9-80.8155.2-8.5112.4E35 K36 A42 S43E35-R39 PolarHBondContact O-N 3.35Å; E35-R39 PolarHBondContact O-NE 3.1Å; K36-R39 PolarHBondContact O-N 3.22Å; R39-A42 PolarHBondContact O-N 3.46Å; R39-S43 PolarHBondContact O-N 3.05Å; R39-S43 VanDerWaalsContact O-N 3.13Å; R39-S43 PolarHBondContact O-OG 3.15Å
40L96.5Very high95.1Very high25 Ų2561.4 Ų61.413%0.13132%0.32CS..Hα-helixtrans-65-43.8176.5-71.5175.3000112.1K36 G37 A42 S43 G44 K45 E48 A49 L52K36-L40 WeakPolarHBondContact O-CG 3.22Å; K36-L40 PolarHBondContact O-N 3.4Å; G37-L40 PolarHBondContact O-N 3.21Å; L40-A42 VanDerWaalsContact C-N 3.34Å; L40-A42 PolarHBondContact O-N 3.22Å; L40-S43 WeakPolarHBondContact CA-OG 3.4Å; L40-S43 CarbonylContact O-C 3.59Å; L40-S43 WeakPolarHBondContact O-CA 3.36Å; L40-S43 PolarHBondContact O-N 2.92Å; L40-S43 PolarHBondContact O-OG 2.71Å; L40-G44 PolarHBondContact O-N 3.32Å; L40-K45 HydrophobicContact CB-CB 4.22Å; L40-K45 HydrophobicContact CD2-CB 4.18Å; L40-K45 HydrophobicContact CD2-CD 3.56Å; L40-K45 PolarHBondContact O-N 3.36Å; L40-E48 HydrophobicContact CD1-CB 3.85Å; L40-A49 HydrophobicContact CB-CB 4Å; L40-L52 HydrophobicContact CD1-CD1 3.49Å; L40-L52 VanDerWaalsContact CD1-CD1 3.49Å; L40-L52 HydrophobicContact CD1-CG 4.34Å
41L94Very high95.3Very high33 Ų3364.3 Ų64.317%0.17334%0.341CS..Hα-helixtrans-58.8-46176.8-176.961.2000111.3G37 T38 S43 G44 F46 A49 A73 A76G37-L41 WeakPolarHBondContact O-CB 3.38Å; G37-L41 PolarHBondContact O-N 3.25Å; T38-L41 PolarHBondContact O-N 2.76Å; L41-S43 PolarHBondContact O-N 3.4Å; L41-G44 PolarHBondContact O-N 3.09Å; L41-G44 VanDerWaalsContact O-N 3.1Å; L41-F46 HydrophobicContact CD1-CD1 3.55Å; L41-F46 HydrophobicContact CD1-CE1 3.9Å; L41-A49 HydrophobicContact CB-CB 4.08Å; L41-A73 HydrophobicContact CD1-CB 3.87Å; L41-A73 HydrophobicContact CD2-CB 4.17Å; L41-A76 HydrophobicContact CD1-CB 4.35Å
42A94.7Very high95.6Very high92 Ų9260.6 Ų60.676%0.7632%0.324SS*.Hα-helixtrans-62.6-27.8175.800000113.2T38 R39 L40 G44T38-A42 WeakPolarHBondContact O-CB 3.5Å; T38-A42 PolarHBondContact O-N 3.45Å; R39-A42 PolarHBondContact O-N 3.46Å; L40-A42 VanDerWaalsContact C-N 3.34Å; L40-A42 PolarHBondContact O-N 3.22Å; A42-G44 VanDerWaalsContact C-N 3.32Å
43S95.8Very high95.8Very high74 Ų7455.8 Ų55.852%0.51730%0.298SS..THydrogen-bonded Turntrans-84.42.617672.40000114.9R39 L40 L41 K45R39-S43 PolarHBondContact O-N 3.05Å; R39-S43 VanDerWaalsContact O-N 3.13Å; R39-S43 PolarHBondContact O-OG 3.15Å; L40-S43 WeakPolarHBondContact CA-OG 3.4Å; L40-S43 CarbonylContact O-C 3.59Å; L40-S43 WeakPolarHBondContact O-CA 3.36Å; L40-S43 PolarHBondContact O-N 2.92Å; L40-S43 PolarHBondContact O-OG 2.71Å; L41-S43 PolarHBondContact O-N 3.4Å; S43-K45 VanDerWaalsContact C-N 3.31Å; S43-K45 PolarHBondContact O-N 3.36Å
44G93.2Very high95.9Very high37 Ų3756.9 Ų56.938%0.38131%0.307SS..THydrogen-bonded Turntrans79.28.2-177.600000114.7L40 L41 A42 F46L40-G44 PolarHBondContact O-N 3.32Å; L41-G44 PolarHBondContact O-N 3.09Å; L41-G44 VanDerWaalsContact O-N 3.1Å; A42-G44 VanDerWaalsContact C-N 3.32Å; G44-F46 VanDerWaalsContact C-N 3.29Å; G44-F46 VanDerWaalsContact O-CD2 3.26Å; G44-F46 WeakPolarHBondContact O-CD2 3.34Å; G44-F46 WeakPolarHBondContact O-CE2 3.49Å; G44-F46 PolarHBondContact O-N 3.45Å; G44-F46 VanDerWaalsContact O-N 3.1Å
45K95.5Very high95.9Very high96 Ų9660.8 Ų60.842%0.41733%0.328SS..  trans-87.667.2178.4-67.5178.6159.7-140.50110.9L40 S43 E48 A49L40-K45 HydrophobicContact CB-CB 4.22Å; L40-K45 HydrophobicContact CD2-CB 4.18Å; L40-K45 HydrophobicContact CD2-CD 3.56Å; L40-K45 PolarHBondContact O-N 3.36Å; S43-K45 VanDerWaalsContact C-N 3.31Å; S43-K45 PolarHBondContact O-N 3.36Å; K45-E48 HydrophobicContact CB-CB 4.37Å; K45-E48 WeakPolarHBondContact CD-OE1 3.49Å; K45-E48 WeakPolarHBondContact CE-OE1 2.88Å; K45-E48 IonicContact NZ-OE1 2.7Å; K45-E48 PolarHBondContact NZ-OE1 2.95Å; K45-E48 IonicContact NZ-OE2 3.56Å; K45-A49 WeakPolarHBondContact O-CB 3.46Å; K45-A49 PolarHBondContact O-N 3.4Å
46F92.6Very high95.9Very high71 Ų7156.6 Ų56.631%0.31131%0.309SS..Hα-helixtrans-62.1-48.1-169.5-56.2-63.1000113.8L41 G44 A49 L50 A76 L77L41-F46 HydrophobicContact CD1-CD1 3.55Å; L41-F46 HydrophobicContact CD1-CE1 3.9Å; G44-F46 VanDerWaalsContact C-N 3.29Å; G44-F46 VanDerWaalsContact O-CD2 3.26Å; G44-F46 WeakPolarHBondContact O-CD2 3.34Å; G44-F46 WeakPolarHBondContact O-CE2 3.49Å; G44-F46 PolarHBondContact O-N 3.45Å; G44-F46 VanDerWaalsContact O-N 3.1Å; F46-A49 WeakPolarHBondContact O-CB 3.38Å; F46-A49 PolarHBondContact O-N 3.08Å; F46-L50 PolarHBondContact O-N 2.89Å; F46-A76 HydrophobicContact CD1-CB 3.86Å; F46-A76 HydrophobicContact CE1-CB 3.58Å; F46-A76 HydrophobicContact CZ-CB 4.36Å; F46-L77 HydrophobicContact CB-CD1 3.91Å; F46-L77 HydrophobicContact CB-CD2 3.61Å; F46-L77 HydrophobicContact CB-CG 3.79Å; F46-L77 HydrophobicContact CD2-CD2 3.96Å; F46-L77 HydrophobicContact CG-CD2 3.9Å; F46-L77 HydrophobicContact CG-CG 4.18Å
47E93.3Very high95.9Very high135 Ų13552.6 Ų52.663%0.63129%0.292SS*.Hα-helixtrans-65.7-41.3-178.5-64.9-63.1169.800112.5A49 L50 S51E47-A49 VanDerWaalsContact C-N 3.32Å; E47-A49 PolarHBondContact O-N 3.45Å; E47-L50 PolarHBondContact O-N 3.44Å; E47-S51 PolarHBondContact O-N 3.33Å
48E95.6Very high95.9Very high99 Ų9955.5 Ų55.546%0.46332%0.322SS..Hα-helixtrans-63.1-40.1175-61.1-179.1-127.700110.9L40 K45 S51 L52L40-E48 HydrophobicContact CD1-CB 3.85Å; K45-E48 HydrophobicContact CB-CB 4.37Å; K45-E48 WeakPolarHBondContact CD-OE1 3.49Å; K45-E48 WeakPolarHBondContact CE-OE1 2.88Å; K45-E48 IonicContact NZ-OE1 2.7Å; K45-E48 PolarHBondContact NZ-OE1 2.95Å; K45-E48 IonicContact NZ-OE2 3.56Å; E48-S51 PolarHBondContact O-N 3.08Å; E48-L52 PolarHBondContact O-N 3.42Å; E48-L52 VanDerWaalsContact O-N 3.16Å
49A96.8Very high95.8Very high0 Ų058.7 Ų58.70%033%0.332CS..Hα-helixtrans-63.9-44.2175.200000111.9G37 L40 L41 K45 F46 E47 S51 L52 Y53G37-A49 WeakPolarHBondContact O-CB 3.35Å; L40-A49 HydrophobicContact CB-CB 4Å; L41-A49 HydrophobicContact CB-CB 4.08Å; K45-A49 WeakPolarHBondContact O-CB 3.46Å; K45-A49 PolarHBondContact O-N 3.4Å; F46-A49 WeakPolarHBondContact O-CB 3.38Å; F46-A49 PolarHBondContact O-N 3.08Å; E47-A49 VanDerWaalsContact C-N 3.32Å; E47-A49 PolarHBondContact O-N 3.45Å; A49-S51 VanDerWaalsContact C-N 3.32Å; A49-S51 PolarHBondContact O-N 2.9Å; A49-L52 PolarHBondContact O-N 3.13Å; A49-Y53 HydrophobicContact CB-CD2 4.48Å; A49-Y53 HydrophobicContact CB-CE2 4.01Å; A49-Y53 WeakPolarHBondContact O-CD2 3.49Å; A49-Y53 VanDerWaalsContact O-CG 3.27Å; A49-Y53 PolarHBondContact O-N 3.05Å
50L97Very high95.6Very high12 Ų1252.6 Ų52.66%0.06331%0.312CS..Hα-helixtrans-59.8-39.9175.8-78.2-178.1000112.7F46 E47 Y53 S54 R70 A73 Y74 L77F46-L50 PolarHBondContact O-N 2.89Å; E47-L50 PolarHBondContact O-N 3.44Å; L50-Y53 PolarHBondContact O-N 3.21Å; L50-S54 WeakPolarHBondContact O-CB 3.38Å; L50-S54 PolarHBondContact O-N 2.76Å; L50-S54 PolarHBondContact O-OG 2.89Å; L50-R70 HydrophobicContact CD2-CG 3.66Å; L50-A73 HydrophobicContact CD2-CB 3.76Å; L50-A73 HydrophobicContact CG-CB 4.35Å; L50-Y74 HydrophobicContact CD1-CD1 4.05Å; L50-Y74 HydrophobicContact CD1-CE1 3.64Å; L50-Y74 HydrophobicContact CD2-CD1 3.87Å; L50-Y74 HydrophobicContact CD2-CD2 4.27Å; L50-Y74 HydrophobicContact CD2-CE1 3.66Å; L50-Y74 HydrophobicContact CD2-CE2 4.09Å; L50-Y74 HydrophobicContact CD2-CG 4.16Å; L50-Y74 HydrophobicContact CG-CE1 4.33Å; L50-L77 HydrophobicContact CD1-CD1 3.4Å; L50-L77 VanDerWaalsContact CD1-CD1 3.4Å; L50-L77 HydrophobicContact CG-CD1 4.22Å
51S96.8Very high95.5Very high67 Ų6755 Ų5547%0.46933%0.329SS..Hα-helixtrans-60.6-49.8175.1-170.70000110.8E47 E48 A49 Y53 S54 D55E47-S51 PolarHBondContact O-N 3.33Å; E48-S51 PolarHBondContact O-N 3.08Å; A49-S51 VanDerWaalsContact C-N 3.32Å; A49-S51 PolarHBondContact O-N 2.9Å; S51-Y53 PolarHBondContact O-N 2.82Å; S51-S54 PolarHBondContact O-N 3.11Å; S51-S54 VanDerWaalsContact O-N 3.16Å; S51-D55 PolarHBondContact O-N 3.47Å
52L97.3Very high95.6Very high25 Ų2559 Ų5913%0.13135%0.35CS..Hα-helixtrans-62.1-41.4178.6-70.4-175.5000112.5I33 K36 L40 E48 A49 S54 D55 A56I33-L52 HydrophobicContact CG2-CB 3.91Å; I33-L52 HydrophobicContact CG2-CD2 4.32Å; I33-L52 WeakPolarHBondContact CG2-O 3.5Å; K36-L52 HydrophobicContact CB-CD1 3.92Å; K36-L52 HydrophobicContact CD-CD1 3.68Å; K36-L52 HydrophobicContact CG-CD1 3.57Å; L40-L52 HydrophobicContact CD1-CD1 3.49Å; L40-L52 VanDerWaalsContact CD1-CD1 3.49Å; L40-L52 HydrophobicContact CD1-CG 4.34Å; E48-L52 PolarHBondContact O-N 3.42Å; E48-L52 VanDerWaalsContact O-N 3.16Å; A49-L52 PolarHBondContact O-N 3.13Å; L52-S54 VanDerWaalsContact C-N 3.3Å; L52-S54 PolarHBondContact O-N 2.69Å; L52-D55 WeakPolarHBondContact O-CB 3.41Å; L52-D55 PolarHBondContact O-N 3.45Å; L52-A56 WeakPolarHBondContact O-CB 3.46Å; L52-A56 PolarHBondContact O-N 3.4Å
53Y97.8Very high95.6Very high1 Ų155.9 Ų55.90%0.00432%0.323CS..Hα-helixtrans-66.7-34.5176.7-61.4-42.3000112.4L34 G37 T38 A49 L50 S51 A56 I57 K69 R70 A73L34-Y53 HydrophobicContact CD2-CD1 3.71Å; L34-Y53 HydrophobicContact CD2-CE1 4.17Å; G37-Y53 PolarHBondContact O-OH 3.44Å; T38-Y53 VanDerWaalsContact CA-OH 3.22Å; T38-Y53 WeakPolarHBondContact CA-OH 3.34Å; T38-Y53 PolarHBondContact N-OH 3.14Å; T38-Y53 PolarHBondContact OG1-OH 3.18Å; A49-Y53 HydrophobicContact CB-CD2 4.48Å; A49-Y53 HydrophobicContact CB-CE2 4.01Å; A49-Y53 WeakPolarHBondContact O-CD2 3.49Å; A49-Y53 VanDerWaalsContact O-CG 3.27Å; A49-Y53 PolarHBondContact O-N 3.05Å; L50-Y53 PolarHBondContact O-N 3.21Å; S51-Y53 PolarHBondContact O-N 2.82Å; Y53-A56 WeakPolarHBondContact O-CB 3.44Å; Y53-A56 PolarHBondContact O-N 3.15Å; Y53-I57 VanDerWaalsContact O-CG1 3.31Å; Y53-I57 WeakPolarHBondContact O-CG1 3.24Å; Y53-I57 PolarHBondContact O-N 3.08Å; Y53-K69 HydrophobicContact CD1-CB 3.95Å; Y53-K69 HydrophobicContact CE1-CB 3.59Å; Y53-K69 HydrophobicContact CE1-CD 3.9Å; Y53-K69 HydrophobicContact CE1-CG 4.35Å; Y53-K69 HydrophobicContact CE2-CB 4.29Å; Y53-K69 HydrophobicContact CG-CB 4.43Å; Y53-R70 HydrophobicContact CD2-CB 4.29Å; Y53-R70 HydrophobicContact CD2-CG 4.48Å; Y53-R70 HydrophobicContact CG-CB 4.27Å; Y53-A73 HydrophobicContact CD2-CB 4.13Å; Y53-A73 HydrophobicContact CE2-CB 3.91Å
54S97.5Very high95.7Very high43 Ų4356.2 Ų56.230%0.30131%0.313SS..Hα-helixtrans-68-38.6174.1-60.20000111.7L50 S51 L52 I57 G58 R70L50-S54 WeakPolarHBondContact O-CB 3.38Å; L50-S54 PolarHBondContact O-N 2.76Å; L50-S54 PolarHBondContact O-OG 2.89Å; S51-S54 PolarHBondContact O-N 3.11Å; S51-S54 VanDerWaalsContact O-N 3.16Å; L52-S54 VanDerWaalsContact C-N 3.3Å; L52-S54 PolarHBondContact O-N 2.69Å; S54-I57 PolarHBondContact O-N 3.16Å; S54-G58 PolarHBondContact O-N 2.89Å; S54-R70 WeakPolarHBondContact OG-CD 3.27Å; S54-R70 PolarHBondContact OG-NH1 3.11Å
55D96.4Very high95.8Very high83 Ų8356.7 Ų56.744%0.44431%0.306SS..Hα-helixtrans-62.6-42.8171.8-67.9-20000111.7S51 L52 I57 G58 K59S51-D55 PolarHBondContact O-N 3.47Å; L52-D55 WeakPolarHBondContact O-CB 3.41Å; L52-D55 PolarHBondContact O-N 3.45Å; D55-I57 VanDerWaalsContact C-N 3.33Å; D55-I57 PolarHBondContact O-N 3.08Å; D55-G58 PolarHBondContact O-N 3.31Å; D55-K59 WeakPolarHBondContact O-CG 3.49Å; D55-K59 PolarHBondContact O-N 2.98Å
56A96.8Very high95.9Very high0 Ų052.1 Ų52.10%029%0.286CS..Hα-helixtrans-60-42.3175.400000111.8V30 I33 L34 L52 Y53 K59 S60 A66V30-A56 HydrophobicContact CG1-CB 4.12Å; I33-A56 HydrophobicContact CB-CB 4.41Å; I33-A56 HydrophobicContact CG2-CB 3.9Å; L34-A56 HydrophobicContact CD2-CB 3.58Å; L34-A56 HydrophobicContact CG-CB 4.25Å; L52-A56 WeakPolarHBondContact O-CB 3.46Å; L52-A56 PolarHBondContact O-N 3.4Å; Y53-A56 WeakPolarHBondContact O-CB 3.44Å; Y53-A56 PolarHBondContact O-N 3.15Å; A56-K59 PolarHBondContact O-N 2.9Å; A56-S60 PolarHBondContact O-N 2.88Å; A56-A66 HydrophobicContact CB-CB 4.16Å
57I96.7Very high96.2Very high22 Ų2249.3 Ų49.311%0.11327%0.274CS..Hα-helixtrans-66.9-38.1174.8-69.5164.9000111.1Y53 S54 D55 K59 S60 P61 A66 R70Y53-I57 VanDerWaalsContact O-CG1 3.31Å; Y53-I57 WeakPolarHBondContact O-CG1 3.24Å; Y53-I57 PolarHBondContact O-N 3.08Å; S54-I57 PolarHBondContact O-N 3.16Å; D55-I57 VanDerWaalsContact C-N 3.33Å; D55-I57 PolarHBondContact O-N 3.08Å; I57-K59 VanDerWaalsContact C-N 3.32Å; I57-K59 PolarHBondContact O-N 3.48Å; I57-S60 CarbonylContact O-C 3.58Å; I57-S60 PolarHBondContact O-N 3.05Å; I57-P61 VanDerWaalsContact O-CA 3.24Å; I57-P61 WeakPolarHBondContact O-CA 3.29Å; I57-P61 WeakPolarHBondContact O-CD 3.44Å; I57-P61 WeakPolarHBondContact O-CG 3.34Å; I57-A66 HydrophobicContact CG1-CB 3.68Å; I57-R70 HydrophobicContact CD1-CB 4.31Å
58G95.6Very high96.5Very high62 Ų6244.7 Ų44.764%0.63925%0.251SS*.Hα-helixtrans-61.9-38.2174.900000113S54 D55S54-G58 PolarHBondContact O-N 2.89Å; D55-G58 PolarHBondContact O-N 3.31Å
59K94.8Very high96.6Very high113 Ų11341.3 Ų41.349%0.49124%0.235SC..Hα-helixtrans-76.1-37.8175.7-67.7-177.3-174.6-173.30113.1V30 I33 D55 A56 I57V30-K59 HydrophobicContact CG2-CB 3.8Å; V30-K59 HydrophobicContact CG2-CD 4.49Å; I33-K59 HydrophobicContact CD1-CD 3.65Å; D55-K59 WeakPolarHBondContact O-CG 3.49Å; D55-K59 PolarHBondContact O-N 2.98Å; A56-K59 PolarHBondContact O-N 2.9Å; I57-K59 VanDerWaalsContact C-N 3.32Å; I57-K59 PolarHBondContact O-N 3.48Å
60S93.1Very high96.6Very high15 Ų1543.1 Ų43.111%0.10524%0.242CC..  trans-136.983-178.6-67.10000111.7V30 A56 I57 N62 S63V30-S60 VanDerWaalsContact CG2-OG 3.22Å; V30-S60 WeakPolarHBondContact CG2-OG 3.19Å; A56-S60 PolarHBondContact O-N 2.88Å; I57-S60 CarbonylContact O-C 3.58Å; I57-S60 PolarHBondContact O-N 3.05Å; S60-N62 PolarHBondContact O-N 3.21Å; S60-N62 VanDerWaalsContact O-N 3.07Å; S60-S63 WeakPolarHBondContact O-CB 3.28Å; S60-S63 PolarHBondContact O-N 3.1Å
61P94.9Very high96.7Very high76 Ų7642.6 Ų42.649%0.49424%0.239SC..THydrogen-bonded Turntrans-61.1-22.2-176.9-26.735.2000115.1I57 H67I57-P61 VanDerWaalsContact O-CA 3.24Å; I57-P61 WeakPolarHBondContact O-CA 3.29Å; I57-P61 WeakPolarHBondContact O-CD 3.44Å; I57-P61 WeakPolarHBondContact O-CG 3.34Å; P61-H67 PolarHBondContact O-NE2 3.3Å
62N94.6Very high96.6Very high117 Ų11741 Ų4163%0.62623%0.227SC*.THydrogen-bonded Turntrans-95.48.2178.8-66.3-24.7000113.5S60 Y64 R89 L93S60-N62 PolarHBondContact O-N 3.21Å; S60-N62 VanDerWaalsContact O-N 3.07Å; N62-Y64 PolarHBondContact O-N 3.49Å; N62-Y64 VanDerWaalsContact O-N 3.11Å; N62-R89 PolarHBondContact OD1-NH2 2.93Å; N62-L93 HydrophobicContact CB-CD2 4.04Å
63S95.7Very high96.6Very high26 Ų2639.8 Ų39.818%0.18222%0.22CC..  trans-75.698.3174.8179.60000110.4S60 M65 A66 H67S60-S63 WeakPolarHBondContact O-CB 3.28Å; S60-S63 PolarHBondContact O-N 3.1Å; S63-M65 PolarHBondContact O-N 3.16Å; S63-A66 PolarHBondContact O-N 3.37Å; S63-A66 VanDerWaalsContact O-N 3.1Å; S63-A66 PolarHBondContact OG-N 3.29Å; S63-H67 PolarHBondContact O-CD2 3.27Å; S63-H67 PolarHBondContact O-N 3.49Å
64Y97.1Very high96.6Very high80 Ų8041 Ų4131%0.31423%0.225SC..Hα-helixtrans-57.1-32.5175.975-91.7000112N62 Y68 N94 F97N62-Y64 PolarHBondContact O-N 3.49Å; N62-Y64 VanDerWaalsContact O-N 3.11Å; Y64-Y68 WeakPolarHBondContact O-CB 3.49Å; Y64-Y68 PolarHBondContact O-N 3.06Å; Y64-N94 HydrophobicContact CD1-CB 3.98Å; Y64-N94 HydrophobicContact CD2-CB 3.99Å; Y64-N94 HydrophobicContact CE1-CB 4.45Å; Y64-N94 HydrophobicContact CE2-CB 4.46Å; Y64-N94 HydrophobicContact CG-CB 3.74Å; Y64-F97 AromaticContact CD2-CD1 3.84Å; Y64-F97 HydrophobicContact CD2-CD1 3.84Å; Y64-F97 HydrophobicContact CD2-CD2 4.45Å; Y64-F97 HydrophobicContact CD2-CE1 4.09Å; Y64-F97 HydrophobicContact CD2-CG 4.07Å; Y64-F97 HydrophobicContact CE2-CD1 4.08Å; Y64-F97 AromaticContact CE2-CD2 3.9Å; Y64-F97 HydrophobicContact CE2-CD2 3.9Å; Y64-F97 HydrophobicContact CE2-CE1 4.17Å; Y64-F97 HydrophobicContact CE2-CE2 4Å; Y64-F97 AromaticContact CE2-CG 3.98Å; Y64-F97 HydrophobicContact CE2-CG 3.98Å; Y64-F97 HydrophobicContact CE2-CZ 4.15Å
65M97.2Very high96.4Very high48 Ų4840.8 Ų40.824%0.23622%0.22CC..Hα-helixtrans-67.9-38.1177.9-170.760.369.100112L34 S63 Y68 K69 F97L34-M65 HydrophobicContact CD1-CB 4.17Å; L34-M65 HydrophobicContact CD1-CG 3.93Å; S63-M65 PolarHBondContact O-N 3.16Å; M65-Y68 PolarHBondContact O-N 3.42Å; M65-Y68 HydrophobicContact SD-CD1 3.91Å; M65-K69 HydrophobicContact CG-CD 4.39Å; M65-K69 HydrophobicContact CG-CG 4.43Å; M65-K69 WeakPolarHBondContact O-CB 3.37Å; M65-K69 WeakPolarHBondContact O-CG 3.46Å; M65-K69 PolarHBondContact O-N 3.01Å; M65-K69 HydrophobicContact SD-CG 4.32Å; M65-F97 HydrophobicContact CE-CE2 4.34Å; M65-F97 HydrophobicContact CE-CZ 4.07Å; M65-F97 HydrophobicContact SD-CZ 4.41Å
66A97.6Very high96.2Very high0 Ų039.3 Ų39.30%022%0.219CC..Hα-helixtrans-65.4-44.8177.500000111.6L34 A56 I57 S63 K69 R70L34-A66 HydrophobicContact CD1-CB 4.31Å; L34-A66 HydrophobicContact CD2-CB 3.77Å; A56-A66 HydrophobicContact CB-CB 4.16Å; I57-A66 HydrophobicContact CG1-CB 3.68Å; S63-A66 PolarHBondContact O-N 3.37Å; S63-A66 VanDerWaalsContact O-N 3.1Å; S63-A66 PolarHBondContact OG-N 3.29Å; A66-K69 PolarHBondContact O-N 2.79Å; A66-R70 WeakPolarHBondContact O-CB 3.49Å; A66-R70 PolarHBondContact O-N 2.82Å
67H98.4Very high96Very high12 Ų1242.1 Ų42.16%0.05623%0.234CC..Hα-helixtrans-59.9-49172.5-66-69.9000111.1P61 S63 K69 R70 G71 D86 A90P61-H67 PolarHBondContact O-NE2 3.3Å; S63-H67 PolarHBondContact O-CD2 3.27Å; S63-H67 PolarHBondContact O-N 3.49Å; H67-K69 PolarHBondContact O-N 2.83Å; H67-R70 PolarHBondContact O-N 2.92Å; H67-G71 PolarHBondContact O-N 2.83Å; H67-D86 IonicContact ND1-OD1 3.86Å; H67-D86 WeakPolarHBondContact O-CB 3.47Å; H67-A90 HydrophobicContact CB-CB 4.18Å
68Y98.4Very high95.7Very high37 Ų3744.1 Ų44.115%0.14525%0.25CC..Hα-helixtrans-58.3-46178.4170.3-110.3000113.9Y64 M65 G71 T72 F87 F97 P99 A100 H103Y64-Y68 WeakPolarHBondContact O-CB 3.49Å; Y64-Y68 PolarHBondContact O-N 3.06Å; M65-Y68 PolarHBondContact O-N 3.42Å; M65-Y68 HydrophobicContact SD-CD1 3.91Å; Y68-G71 PolarHBondContact O-N 3.16Å; Y68-T72 WeakPolarHBondContact O-CB 3.45Å; Y68-T72 PolarHBondContact O-N 3.24Å; Y68-T72 PolarHBondContact O-OG1 3.46Å; Y68-F87 AromaticContact CD2-CD1 3.94Å; Y68-F87 HydrophobicContact CD2-CD1 3.94Å; Y68-F87 AromaticContact CD2-CE1 3.59Å; Y68-F87 HydrophobicContact CD2-CE1 3.59Å; Y68-F87 AromaticContact CE2-CE1 3.93Å; Y68-F87 HydrophobicContact CE2-CE1 3.93Å; Y68-F97 AromaticContact CD1-CE1 3.74Å; Y68-F97 HydrophobicContact CD1-CE1 3.74Å; Y68-F97 AromaticContact CD1-CZ 3.8Å; Y68-F97 HydrophobicContact CD1-CZ 3.8Å; Y68-F97 AromaticContact CD2-CE1 3.66Å; Y68-F97 HydrophobicContact CD2-CE1 3.66Å; Y68-F97 HydrophobicContact CD2-CZ 4.37Å; Y68-F97 HydrophobicContact CE1-CE1 4.27Å; Y68-F97 HydrophobicContact CE1-CZ 4.05Å; Y68-F97 HydrophobicContact CE2-CE1 4.24Å; Y68-F97 AromaticContact CG-CE1 3.41Å; Y68-F97 HydrophobicContact CG-CE1 3.41Å; Y68-F97 VanDerWaalsContact CG-CE1 3.41Å; Y68-F97 AromaticContact CG-CZ 3.98Å; Y68-F97 HydrophobicContact CG-CZ 3.98Å; Y68-P99 HydrophobicContact CE2-CB 4.1Å; Y68-A100 HydrophobicContact CD2-CB 3.87Å; Y68-A100 HydrophobicContact CE2-CB 4.4Å; Y68-H103 AromaticContact CE2-CD2 3.52Å; Y68-H103 AromaticContact CZ-CD2 3.8Å; Y68-H103 PolarHBondContact OH-CD2 3.38Å; Y68-H103 PolarHBondContact OH-NE2 3.16Å; Y68-H103 VanDerWaalsContact OH-NE2 3.12Å
69K97.9Very high95.5Very high28 Ų2843.3 Ų43.312%0.12223%0.231CC..Hα-helixtrans-65.1-40.1179.3-75.5-171.4174.6-164.20111.2L34 T38 Y53 M65 A66 H67 T72 A73L34-K69 HydrophobicContact CB-CD 3.93Å; L34-K69 HydrophobicContact CD1-CD 4.42Å; L34-K69 HydrophobicContact CD2-CD 4.23Å; L34-K69 HydrophobicContact CG-CD 4.41Å; L34-K69 PolarHBondContact O-NZ 3.1Å; T38-K69 WeakPolarHBondContact OG1-CE 3.41Å; T38-K69 PolarHBondContact OG1-NZ 3.08Å; Y53-K69 HydrophobicContact CD1-CB 3.95Å; Y53-K69 HydrophobicContact CE1-CB 3.59Å; Y53-K69 HydrophobicContact CE1-CD 3.9Å; Y53-K69 HydrophobicContact CE1-CG 4.35Å; Y53-K69 HydrophobicContact CE2-CB 4.29Å; Y53-K69 HydrophobicContact CG-CB 4.43Å; M65-K69 HydrophobicContact CG-CD 4.39Å; M65-K69 HydrophobicContact CG-CG 4.43Å; M65-K69 WeakPolarHBondContact O-CB 3.37Å; M65-K69 WeakPolarHBondContact O-CG 3.46Å; M65-K69 PolarHBondContact O-N 3.01Å; M65-K69 HydrophobicContact SD-CG 4.32Å; A66-K69 PolarHBondContact O-N 2.79Å; H67-K69 PolarHBondContact O-N 2.83Å; K69-T72 PolarHBondContact O-N 3.5Å; K69-A73 PolarHBondContact O-N 3.46Å
70R98Very high95.4Very high39 Ų3938.2 Ų38.215%0.14721%0.21CC..Hα-helixtrans-65.6-43.9173.5-160.3174.263.9-176.6-6112.4L50 Y53 S54 I57 A66 H67 T72 A73 Y74 D86L50-R70 HydrophobicContact CD2-CG 3.66Å; Y53-R70 HydrophobicContact CD2-CB 4.29Å; Y53-R70 HydrophobicContact CD2-CG 4.48Å; Y53-R70 HydrophobicContact CG-CB 4.27Å; S54-R70 WeakPolarHBondContact OG-CD 3.27Å; S54-R70 PolarHBondContact OG-NH1 3.11Å; I57-R70 HydrophobicContact CD1-CB 4.31Å; A66-R70 WeakPolarHBondContact O-CB 3.49Å; A66-R70 PolarHBondContact O-N 2.82Å; H67-R70 PolarHBondContact O-N 2.92Å; R70-T72 VanDerWaalsContact C-N 3.27Å; R70-T72 PolarHBondContact O-N 2.99Å; R70-A73 WeakPolarHBondContact O-CB 3.37Å; R70-A73 PolarHBondContact O-N 3Å; R70-A73 VanDerWaalsContact O-N 3.08Å; R70-Y74 HydrophobicContact CG-CD2 4.14Å; R70-Y74 HydrophobicContact CG-CE2 3.67Å; R70-Y74 VanDerWaalsContact O-CD2 3.32Å; R70-Y74 WeakPolarHBondContact O-CD2 3.44Å; R70-Y74 PolarHBondContact O-N 2.87Å; R70-D86 WeakPolarHBondContact CB-OD2 3.49Å; R70-D86 WeakPolarHBondContact CG-OD2 3.47Å; R70-D86 IonicContact CZ-OD1 3.6Å; R70-D86 IonicContact CZ-OD2 3.98Å; R70-D86 IonicContact NE-OD1 2.66Å; R70-D86 PolarHBondContact NE-OD1 3.49Å; R70-D86 IonicContact NE-OD2 2.76Å; R70-D86 PolarHBondContact NE-OD2 3.42Å; R70-D86 IonicContact NH2-OD1 2.82Å; R70-D86 PolarHBondContact NH2-OD1 3.44Å; R70-D86 IonicContact NH2-OD2 2.94Å
71G97.8Very high95.3Very high0 Ų041.4 Ų41.40%022%0.219CC..Hα-helixtrans-57.7-40.5174.800000112.3H67 Y68 Y74 I75 S83 D86 F87H67-G71 PolarHBondContact O-N 2.83Å; Y68-G71 PolarHBondContact O-N 3.16Å; G71-Y74 PolarHBondContact O-N 3.36Å; G71-I75 PolarHBondContact O-N 2.89Å; G71-I75 VanDerWaalsContact O-N 3.13Å; G71-S83 WeakPolarHBondContact O-CB 3.3Å; G71-S83 PolarHBondContact O-OG 3.45Å; G71-D86 PolarHBondContact N-OD2 2.96Å; G71-F87 VanDerWaalsContact C-CZ 3.47Å
72T96.2Very high95.3Very high34 Ų3439.8 Ų39.821%0.20921%0.206CC..Hα-helixtrans-66.3-40.2174.9-56.50000112Y68 K69 R70 Y74 I75 A76Y68-T72 WeakPolarHBondContact O-CB 3.45Å; Y68-T72 PolarHBondContact O-N 3.24Å; Y68-T72 PolarHBondContact O-OG1 3.46Å; K69-T72 PolarHBondContact O-N 3.5Å; R70-T72 VanDerWaalsContact C-N 3.27Å; R70-T72 PolarHBondContact O-N 2.99Å; T72-Y74 VanDerWaalsContact C-N 3.31Å; T72-Y74 PolarHBondContact O-N 3.29Å; T72-I75 WeakPolarHBondContact O-CB 3.39Å; T72-I75 PolarHBondContact O-N 3.49Å; T72-A76 PolarHBondContact O-N 3.06Å
73A96.4Very high95.4Very high0 Ų034.2 Ų34.20%018%0.176CC..Hα-helixtrans-63.3-37.7173.400000112.3L41 L50 Y53 K69 R70 I75 A76 L77L41-A73 HydrophobicContact CD1-CB 3.87Å; L41-A73 HydrophobicContact CD2-CB 4.17Å; L50-A73 HydrophobicContact CD2-CB 3.76Å; L50-A73 HydrophobicContact CG-CB 4.35Å; Y53-A73 HydrophobicContact CD2-CB 4.13Å; Y53-A73 HydrophobicContact CE2-CB 3.91Å; K69-A73 PolarHBondContact O-N 3.46Å; R70-A73 WeakPolarHBondContact O-CB 3.37Å; R70-A73 PolarHBondContact O-N 3Å; R70-A73 VanDerWaalsContact O-N 3.08Å; A73-I75 VanDerWaalsContact C-N 3.31Å; A73-I75 PolarHBondContact O-N 3.47Å; A73-A76 WeakPolarHBondContact O-CB 3.3Å; A73-A76 PolarHBondContact O-N 3.09Å; A73-A76 VanDerWaalsContact O-N 3.14Å; A73-L77 PolarHBondContact O-N 3.43Å
74Y96.9Very high95.4Very high27 Ų2734 Ų3411%0.10617%0.173CC..Hα-helixtrans-64.3-31.6173.3-75-53.5000113.4L50 R70 G71 T72 A76 L77 S78 N79 M82 D86L50-Y74 HydrophobicContact CD1-CD1 4.05Å; L50-Y74 HydrophobicContact CD1-CE1 3.64Å; L50-Y74 HydrophobicContact CD2-CD1 3.87Å; L50-Y74 HydrophobicContact CD2-CD2 4.27Å; L50-Y74 HydrophobicContact CD2-CE1 3.66Å; L50-Y74 HydrophobicContact CD2-CE2 4.09Å; L50-Y74 HydrophobicContact CD2-CG 4.16Å; L50-Y74 HydrophobicContact CG-CE1 4.33Å; R70-Y74 HydrophobicContact CG-CD2 4.14Å; R70-Y74 HydrophobicContact CG-CE2 3.67Å; R70-Y74 VanDerWaalsContact O-CD2 3.32Å; R70-Y74 WeakPolarHBondContact O-CD2 3.44Å; R70-Y74 PolarHBondContact O-N 2.87Å; G71-Y74 PolarHBondContact O-N 3.36Å; T72-Y74 VanDerWaalsContact C-N 3.31Å; T72-Y74 PolarHBondContact O-N 3.29Å; Y74-A76 VanDerWaalsContact C-N 3.33Å; Y74-L77 CarbonylContact O-C 3.49Å; Y74-L77 PolarHBondContact O-N 3.26Å; Y74-S78 PolarHBondContact O-N 3.49Å; Y74-N79 HydrophobicContact CD1-CB 3.98Å; Y74-N79 HydrophobicContact CG-CB 4.48Å; Y74-N79 PolarHBondContact O-N 3.22Å; Y74-M82 HydrophobicContact CD1-CB 3.78Å; Y74-M82 HydrophobicContact CD2-CB 3.57Å; Y74-M82 HydrophobicContact CE1-CB 3.81Å; Y74-M82 HydrophobicContact CE1-CG 4.2Å; Y74-M82 HydrophobicContact CE2-CB 3.59Å; Y74-M82 HydrophobicContact CE2-CE 4.26Å; Y74-M82 HydrophobicContact CG-CB 3.67Å; Y74-D86 WeakPolarHBondContact CD2-OD2 3.44Å; Y74-D86 VanDerWaalsContact CE2-OD2 3.23Å; Y74-D86 WeakPolarHBondContact CE2-OD2 3.41Å
75I94.6Very high95.4Very high37 Ų3734.8 Ų34.819%0.1918%0.181CC..Hα-helixtrans-59.5-46170.5-64178.3000110.3G71 T72 A73 L77 S78 S83 F87 H103 Y106 V107G71-I75 PolarHBondContact O-N 2.89Å; G71-I75 VanDerWaalsContact O-N 3.13Å; T72-I75 WeakPolarHBondContact O-CB 3.39Å; T72-I75 PolarHBondContact O-N 3.49Å; A73-I75 VanDerWaalsContact C-N 3.31Å; A73-I75 PolarHBondContact O-N 3.47Å; I75-L77 PolarHBondContact O-N 3.25Å; I75-S78 PolarHBondContact O-N 2.84Å; I75-S83 WeakPolarHBondContact CG1-OG 3.4Å; I75-F87 HydrophobicContact CD1-CE2 3.74Å; I75-F87 HydrophobicContact CD1-CZ 3.7Å; I75-F87 HydrophobicContact CG1-CE2 4.14Å; I75-F87 HydrophobicContact CG1-CZ 4.24Å; I75-H103 HydrophobicContact CD1-CB 4.14Å; I75-Y106 HydrophobicContact CD1-CD1 4.26Å; I75-Y106 HydrophobicContact CG2-CD1 4.38Å; I75-Y106 HydrophobicContact CG2-CE1 3.84Å; I75-V107 HydrophobicContact CD1-CG2 3.91Å; I75-V107 HydrophobicContact CG1-CG2 3.77Å
76A92.6Very high95.5Very high52 Ų5232.7 Ų32.743%0.4317%0.171SC..Hα-helixtrans-63.3-24.1-178.500000113L41 F46 T72 A73 Y74L41-A76 HydrophobicContact CD1-CB 4.35Å; F46-A76 HydrophobicContact CD1-CB 3.86Å; F46-A76 HydrophobicContact CE1-CB 3.58Å; F46-A76 HydrophobicContact CZ-CB 4.36Å; T72-A76 PolarHBondContact O-N 3.06Å; A73-A76 WeakPolarHBondContact O-CB 3.3Å; A73-A76 PolarHBondContact O-N 3.09Å; A73-A76 VanDerWaalsContact O-N 3.14Å; Y74-A76 VanDerWaalsContact C-N 3.33Å
77L92.3Very high95.5Very high60 Ų6032.7 Ų32.731%0.31417%0.171SC..THydrogen-bonded Turntrans-948.8174-70.6170.3000113.6F46 L50 A73 Y74 I75 N79F46-L77 HydrophobicContact CB-CD1 3.91Å; F46-L77 HydrophobicContact CB-CD2 3.61Å; F46-L77 HydrophobicContact CB-CG 3.79Å; F46-L77 HydrophobicContact CD2-CD2 3.96Å; F46-L77 HydrophobicContact CG-CD2 3.9Å; F46-L77 HydrophobicContact CG-CG 4.18Å; L50-L77 HydrophobicContact CD1-CD1 3.4Å; L50-L77 VanDerWaalsContact CD1-CD1 3.4Å; L50-L77 HydrophobicContact CG-CD1 4.22Å; A73-L77 PolarHBondContact O-N 3.43Å; Y74-L77 CarbonylContact O-C 3.49Å; Y74-L77 PolarHBondContact O-N 3.26Å; I75-L77 PolarHBondContact O-N 3.25Å; L77-N79 PolarHBondContact O-N 3.2Å
78S90.3Very high95.5Very high63 Ų6334.4 Ų34.444%0.44118%0.181SC..THydrogen-bonded Turntrans56.119.6-174.4-60.70000114.6Y74 I75 C80 Y173Y74-S78 PolarHBondContact O-N 3.49Å; I75-S78 PolarHBondContact O-N 2.84Å; S78-C80 VanDerWaalsContact C-N 3.33Å; S78-C80 PolarHBondContact O-N 3.4Å; S78-Y173 WeakPolarHBondContact O-CE2 3.39Å
79N91Very high95.5Very high46 Ų4636.6 Ų36.625%0.24619%0.189CC..  trans-8773.3178.8-168.5-24.9000110.3Y74 L77 R81 M82 S83Y74-N79 HydrophobicContact CD1-CB 3.98Å; Y74-N79 HydrophobicContact CG-CB 4.48Å; Y74-N79 PolarHBondContact O-N 3.22Å; L77-N79 PolarHBondContact O-N 3.2Å; N79-R81 PolarHBondContact O-N 2.76Å; N79-M82 WeakPolarHBondContact ND2-CG 3.4Å; N79-M82 PolarHBondContact O-N 3.31Å; N79-M82 WeakPolarHBondContact OD1-CB 3.5Å; N79-M82 VanDerWaalsContact OD1-CG 3.31Å; N79-M82 WeakPolarHBondContact OD1-CG 3.42Å; N79-M82 PolarHBondContact OD1-N 3.49Å; N79-M82 VanDerWaalsContact OD1-N 3.09Å; N79-S83 VanDerWaalsContact O-CB 3.3Å; N79-S83 WeakPolarHBondContact O-CB 3.45Å; N79-S83 PolarHBondContact O-N 3.24Å
80C93.3Very high95.6Very high6 Ų635.2 Ų35.24%0.04118%0.183CC..Hα-helixtrans-58-36.7-176.3-690000112.5S78 S83 L84 V107 M111 Y173S78-C80 VanDerWaalsContact C-N 3.33Å; S78-C80 PolarHBondContact O-N 3.4Å; C80-S83 PolarHBondContact O-N 2.89Å; C80-L84 WeakPolarHBondContact O-CB 3.33Å; C80-L84 PolarHBondContact O-N 2.99Å; C80-V107 HydrophobicContact CB-CG1 3.94Å; C80-V107 VanDerWaalsContact O-CG1 3.28Å; C80-V107 WeakPolarHBondContact O-CG1 3.44Å; C80-M111 HydrophobicContact CB-CG 3.71Å; C80-M111 HydrophobicContact CB-SD 4.03Å; C80-Y173 HydrophobicContact CB-CD1 3.79Å; C80-Y173 HydrophobicContact CB-CD2 3.96Å; C80-Y173 HydrophobicContact CB-CE1 4.13Å; C80-Y173 HydrophobicContact CB-CE2 4.26Å; C80-Y173 HydrophobicContact CB-CG 3.74Å
81R91Very high95.6Very high82 Ų8233.9 Ų33.931%0.30918%0.179SC..Hα-helixtrans-62.8-53-179.2-173.2179.664.768.74.9112.1N79 S83 L84 L85 N206N79-R81 PolarHBondContact O-N 2.76Å; R81-S83 VanDerWaalsContact C-N 3.32Å; R81-L84 PolarHBondContact O-N 3.42Å; R81-L85 PolarHBondContact O-N 2.96Å; R81-N206 VanDerWaalsContact CZ-ND2 3.31Å; R81-N206 PolarHBondContact NE-OD1 3.42Å; R81-N206 PolarHBondContact NH2-ND2 3.47Å; R81-N206 VanDerWaalsContact NH2-ND2 3.17Å; R81-N206 PolarHBondContact NH2-OD1 2.91Å
82M93.9Very high95.6Very high42 Ų4239.9 Ų39.921%0.20721%0.207CC..Hα-helixtrans-68.5-35.7179.9-65.9-59.6-63.600111.5Y74 N79 L84 L85 D86Y74-M82 HydrophobicContact CD1-CB 3.78Å; Y74-M82 HydrophobicContact CD2-CB 3.57Å; Y74-M82 HydrophobicContact CE1-CB 3.81Å; Y74-M82 HydrophobicContact CE1-CG 4.2Å; Y74-M82 HydrophobicContact CE2-CB 3.59Å; Y74-M82 HydrophobicContact CE2-CE 4.26Å; Y74-M82 HydrophobicContact CG-CB 3.67Å; N79-M82 WeakPolarHBondContact ND2-CG 3.4Å; N79-M82 PolarHBondContact O-N 3.31Å; N79-M82 WeakPolarHBondContact OD1-CB 3.5Å; N79-M82 VanDerWaalsContact OD1-CG 3.31Å; N79-M82 WeakPolarHBondContact OD1-CG 3.42Å; N79-M82 PolarHBondContact OD1-N 3.49Å; N79-M82 VanDerWaalsContact OD1-N 3.09Å; M82-L84 PolarHBondContact O-N 3.39Å; M82-L85 PolarHBondContact O-N 3.25Å; M82-L85 HydrophobicContact SD-CD1 4.09Å; M82-D86 PolarHBondContact O-N 3.01Å
83S96.6Very high95.7Very high0 Ų040.7 Ų40.70%021%0.209CC..Hα-helixtrans-59-45.3174.1-167.90000112.5G71 I75 N79 C80 R81 L85 D86 F87G71-S83 WeakPolarHBondContact O-CB 3.3Å; G71-S83 PolarHBondContact O-OG 3.45Å; I75-S83 WeakPolarHBondContact CG1-OG 3.4Å; N79-S83 VanDerWaalsContact O-CB 3.3Å; N79-S83 WeakPolarHBondContact O-CB 3.45Å; N79-S83 PolarHBondContact O-N 3.24Å; C80-S83 PolarHBondContact O-N 2.89Å; R81-S83 VanDerWaalsContact C-N 3.32Å; S83-L85 PolarHBondContact O-N 3.11Å; S83-D86 PolarHBondContact O-N 3.44Å; S83-F87 WeakPolarHBondContact O-CD2 3.04Å; S83-F87 WeakPolarHBondContact O-CG 3.23Å; S83-F87 PolarHBondContact O-N 3.21Å; S83-F87 WeakPolarHBondContact OG-CE2 3.42Å
84L97Very high95.7Very high22 Ų2242.6 Ų42.612%0.11522%0.22CC..Hα-helixtrans-61.5-43.2177.9-172.972000112.4C80 R81 M82 D86 F87 N88 R104 V107 K108 M111C80-L84 WeakPolarHBondContact O-CB 3.33Å; C80-L84 PolarHBondContact O-N 2.99Å; R81-L84 PolarHBondContact O-N 3.42Å; M82-L84 PolarHBondContact O-N 3.39Å; L84-D86 VanDerWaalsContact C-N 3.34Å; L84-D86 PolarHBondContact O-N 3.46Å; L84-F87 PolarHBondContact O-N 3.18Å; L84-N88 WeakPolarHBondContact O-CB 2.86Å; L84-N88 VanDerWaalsContact O-CG 3.29Å; L84-N88 PolarHBondContact O-N 3.5Å; L84-N88 PolarHBondContact O-ND2 2.96Å; L84-R104 HydrophobicContact CD1-CG 3.84Å; L84-V107 HydrophobicContact CB-CG1 4.1Å; L84-V107 HydrophobicContact CD1-CG1 4.44Å; L84-K108 HydrophobicContact CD1-CG 3.94Å; L84-M111 HydrophobicContact CB-CE 4.34Å; L84-M111 HydrophobicContact CD1-CE 3.9Å; L84-M111 HydrophobicContact CD2-CE 3.63Å; L84-M111 HydrophobicContact CD2-SD 4.24Å; L84-M111 HydrophobicContact CG-CE 4.14Å
85L96.7Very high95.7Very high95 Ų9544.5 Ų44.550%0.49724%0.235SC..Hα-helixtrans-59.5-45.9177.9-70.6173.4000111.4R81 M82 S83 N88 R89R81-L85 PolarHBondContact O-N 2.96Å; M82-L85 PolarHBondContact O-N 3.25Å; M82-L85 HydrophobicContact SD-CD1 4.09Å; S83-L85 PolarHBondContact O-N 3.11Å; L85-N88 PolarHBondContact O-N 2.82Å; L85-R89 PolarHBondContact O-N 3.35Å
86D98.4Very high95.7Very high5 Ų549.1 Ų49.13%0.02726%0.26CS..Hα-helixtrans-67.6-39.3179.9-84.7-20.3000112.4H67 R70 G71 Y74 M82 S83 L84 R89 A90H67-D86 IonicContact ND1-OD1 3.86Å; H67-D86 WeakPolarHBondContact O-CB 3.47Å; R70-D86 WeakPolarHBondContact CB-OD2 3.49Å; R70-D86 WeakPolarHBondContact CG-OD2 3.47Å; R70-D86 IonicContact CZ-OD1 3.6Å; R70-D86 IonicContact CZ-OD2 3.98Å; R70-D86 IonicContact NE-OD1 2.66Å; R70-D86 PolarHBondContact NE-OD1 3.49Å; R70-D86 IonicContact NE-OD2 2.76Å; R70-D86 PolarHBondContact NE-OD2 3.42Å; R70-D86 IonicContact NH2-OD1 2.82Å; R70-D86 PolarHBondContact NH2-OD1 3.44Å; R70-D86 IonicContact NH2-OD2 2.94Å; G71-D86 PolarHBondContact N-OD2 2.96Å; Y74-D86 WeakPolarHBondContact CD2-OD2 3.44Å; Y74-D86 VanDerWaalsContact CE2-OD2 3.23Å; Y74-D86 WeakPolarHBondContact CE2-OD2 3.41Å; M82-D86 PolarHBondContact O-N 3.01Å; S83-D86 PolarHBondContact O-N 3.44Å; L84-D86 VanDerWaalsContact C-N 3.34Å; L84-D86 PolarHBondContact O-N 3.46Å; D86-R89 PolarHBondContact O-N 2.9Å; D86-A90 WeakPolarHBondContact O-CB 3.18Å; D86-A90 PolarHBondContact O-N 2.86Å
87F98.6Very high95.9Very high0 Ų048 Ų480%025%0.246CC..Hα-helixtrans-70.3-36.9175.6-63.8-42.7000113.2Y68 G71 I75 S83 L84 R89 A90 L91 A100 H103 R104 V107Y68-F87 AromaticContact CD2-CD1 3.94Å; Y68-F87 HydrophobicContact CD2-CD1 3.94Å; Y68-F87 AromaticContact CD2-CE1 3.59Å; Y68-F87 HydrophobicContact CD2-CE1 3.59Å; Y68-F87 AromaticContact CE2-CE1 3.93Å; Y68-F87 HydrophobicContact CE2-CE1 3.93Å; G71-F87 VanDerWaalsContact C-CZ 3.47Å; I75-F87 HydrophobicContact CD1-CE2 3.74Å; I75-F87 HydrophobicContact CD1-CZ 3.7Å; I75-F87 HydrophobicContact CG1-CE2 4.14Å; I75-F87 HydrophobicContact CG1-CZ 4.24Å; S83-F87 WeakPolarHBondContact O-CD2 3.04Å; S83-F87 WeakPolarHBondContact O-CG 3.23Å; S83-F87 PolarHBondContact O-N 3.21Å; S83-F87 WeakPolarHBondContact OG-CE2 3.42Å; L84-F87 PolarHBondContact O-N 3.18Å; F87-R89 VanDerWaalsContact C-N 3.31Å; F87-A90 PolarHBondContact O-N 2.94Å; F87-L91 WeakPolarHBondContact O-CB 3.46Å; F87-L91 VanDerWaalsContact O-CG 3.29Å; F87-L91 WeakPolarHBondContact O-CG 3.22Å; F87-L91 PolarHBondContact O-N 3.39Å; F87-A100 HydrophobicContact CD1-CB 4.32Å; F87-H103 HydrophobicContact CD1-CB 4.43Å; F87-H103 HydrophobicContact CD2-CB 4.26Å; F87-H103 HydrophobicContact CE1-CB 3.85Å; F87-H103 HydrophobicContact CE2-CB 3.63Å; F87-H103 HydrophobicContact CZ-CB 3.42Å; F87-H103 VanDerWaalsContact CZ-CB 3.42Å; F87-R104 HydrophobicContact CB-CB 3.94Å; F87-R104 HydrophobicContact CB-CG 4.22Å; F87-R104 HydrophobicContact CD2-CB 4.34Å; F87-R104 HydrophobicContact CG-CB 4.41Å; F87-V107 HydrophobicContact CD2-CG2 4.31Å; F87-V107 HydrophobicContact CE2-CG2 3.84Å
88N98.4Very high96.1Very high48 Ų4846.9 Ų46.926%0.25724%0.24SC..Hα-helixtrans-58.5-47.7171.1-76.5-19.8000110.2L84 L85 A90 L91 E92 R104L84-N88 WeakPolarHBondContact O-CB 2.86Å; L84-N88 VanDerWaalsContact O-CG 3.29Å; L84-N88 PolarHBondContact O-N 3.5Å; L84-N88 PolarHBondContact O-ND2 2.96Å; L85-N88 PolarHBondContact O-N 2.82Å; N88-A90 PolarHBondContact O-N 3.26Å; N88-L91 PolarHBondContact O-N 3.26Å; N88-E92 WeakPolarHBondContact O-CG 3.32Å; N88-E92 PolarHBondContact O-N 3.41Å; N88-R104 WeakPolarHBondContact OD1-CD 3.29Å; N88-R104 PolarHBondContact OD1-NH1 2.99Å
89R98.4Very high96.4Very high82 Ų8246.3 Ų46.331%0.30923%0.234SC..Hα-helixtrans-63.8-40.1178.5-174.256.5-177.5154.83.8113N62 L85 D86 F87 L91 E92 L93N62-R89 PolarHBondContact OD1-NH2 2.93Å; L85-R89 PolarHBondContact O-N 3.35Å; D86-R89 PolarHBondContact O-N 2.9Å; F87-R89 VanDerWaalsContact C-N 3.31Å; R89-L91 VanDerWaalsContact C-N 3.32Å; R89-L91 PolarHBondContact O-N 3.08Å; R89-E92 WeakPolarHBondContact CD-OE2 3.28Å; R89-E92 IonicContact CZ-OE2 2.85Å; R89-E92 IonicContact NH1-OE2 3.41Å; R89-E92 PolarHBondContact NH1-OE2 3.36Å; R89-E92 PolarHBondContact O-N 2.83Å; R89-L93 HydrophobicContact CG-CD1 4.22Å; R89-L93 WeakPolarHBondContact O-CG 3.43Å; R89-L93 PolarHBondContact O-N 2.95Å; R89-L93 VanDerWaalsContact O-N 3.17Å
90A98.4Very high96.8Very high0 Ų044.1 Ų44.10%022%0.223CC..Hα-helixtrans-61.8-40175.700000111.9H67 D86 F87 N88 L93 N94 A100H67-A90 HydrophobicContact CB-CB 4.18Å; D86-A90 WeakPolarHBondContact O-CB 3.18Å; D86-A90 PolarHBondContact O-N 2.86Å; F87-A90 PolarHBondContact O-N 2.94Å; N88-A90 PolarHBondContact O-N 3.26Å; A90-L93 PolarHBondContact O-N 3.2Å; A90-N94 PolarHBondContact O-N 3.37Å; A90-A100 HydrophobicContact CB-CB 4.3Å
91L98.3Very high97Very high10 Ų1046.3 Ų46.35%0.05223%0.23CC..Hα-helixtrans-78.4-26.2179.6-68.1170.4000113.7F87 N88 R89 L93 N94 P95 F97 A100 R101 R104F87-L91 WeakPolarHBondContact O-CB 3.46Å; F87-L91 VanDerWaalsContact O-CG 3.29Å; F87-L91 WeakPolarHBondContact O-CG 3.22Å; F87-L91 PolarHBondContact O-N 3.39Å; N88-L91 PolarHBondContact O-N 3.26Å; R89-L91 VanDerWaalsContact C-N 3.32Å; R89-L91 PolarHBondContact O-N 3.08Å; L91-L93 VanDerWaalsContact C-N 3.32Å; L91-N94 CarbonylContact O-C 3.49Å; L91-P95 WeakPolarHBondContact O-CA 3.42Å; L91-P95 WeakPolarHBondContact O-CG 3.35Å; L91-P95 VanDerWaalsContact O-N 3.16Å; L91-F97 HydrophobicContact CD2-CB 4.42Å; L91-A100 HydrophobicContact CD2-CB 3.9Å; L91-A100 HydrophobicContact CG-CB 4.01Å; L91-R101 HydrophobicContact CD1-CG 3.86Å; L91-R101 HydrophobicContact CD2-CB 4.48Å; L91-R101 HydrophobicContact CD2-CG 3.39Å; L91-R101 HydrophobicContact CG-CG 4.28Å; L91-R104 HydrophobicContact CD1-CB 4.45Å; L91-R104 VanDerWaalsContact CD1-CZ 3.41Å
92E98.2Very high97.3Very high127 Ų12745.5 Ų45.559%0.59323%0.229SC*.Hα-helixtrans-63.8-39.6166.7-74.7169.4-167.200111.6N88 R89N88-E92 WeakPolarHBondContact O-CG 3.32Å; N88-E92 PolarHBondContact O-N 3.41Å; R89-E92 WeakPolarHBondContact CD-OE2 3.28Å; R89-E92 IonicContact CZ-OE2 2.85Å; R89-E92 IonicContact NH1-OE2 3.41Å; R89-E92 PolarHBondContact NH1-OE2 3.36Å; R89-E92 PolarHBondContact O-N 2.83Å
93L98.1Very high97.5Very high50 Ų5046.2 Ų46.226%0.26223%0.232SC..Hα-helixtrans-79.8-34.3-178.9-70.4167.6000112.8N62 R89 A90 L91N62-L93 HydrophobicContact CB-CD2 4.04Å; R89-L93 HydrophobicContact CG-CD1 4.22Å; R89-L93 WeakPolarHBondContact O-CG 3.43Å; R89-L93 PolarHBondContact O-N 2.95Å; R89-L93 VanDerWaalsContact O-N 3.17Å; A90-L93 PolarHBondContact O-N 3.2Å; L91-L93 VanDerWaalsContact C-N 3.32Å
94N97.6Very high97.6Very high41 Ų4148 Ų4822%0.21924%0.239CC..  trans-14290176.3-175-1.2000110.6Y64 A90 L91 D96 F97Y64-N94 HydrophobicContact CD1-CB 3.98Å; Y64-N94 HydrophobicContact CD2-CB 3.99Å; Y64-N94 HydrophobicContact CE1-CB 4.45Å; Y64-N94 HydrophobicContact CE2-CB 4.46Å; Y64-N94 HydrophobicContact CG-CB 3.74Å; A90-N94 PolarHBondContact O-N 3.37Å; L91-N94 CarbonylContact O-C 3.49Å; N94-D96 PolarHBondContact O-N 3.24Å; N94-D96 PolarHBondContact OD1-N 3.16Å; N94-F97 HydrophobicContact CB-CB 4.11Å; N94-F97 VanDerWaalsContact O-CB 3.28Å; N94-F97 WeakPolarHBondContact O-CB 3.46Å; N94-F97 PolarHBondContact O-N 3.07Å
95P97Very high97.7Very high66 Ų6647 Ų4743%0.42923%0.233SC..THydrogen-bonded Turntrans-61.1-27.8-177-26.735.6000114.8L91 F97 R101L91-P95 WeakPolarHBondContact O-CA 3.42Å; L91-P95 WeakPolarHBondContact O-CG 3.35Å; L91-P95 VanDerWaalsContact O-N 3.16Å; P95-F97 PolarHBondContact O-N 3.02Å; P95-R101 PolarHBondContact O-NE 3.31Å; P95-R101 PolarHBondContact O-NH2 3.24Å
96D94.6Very high97.7Very high134 Ų13446.3 Ų46.372%0.71723%0.225SC*.THydrogen-bonded Turntrans-87.87.1-177.4-61.7-35.9000112.5N94 I98N94-D96 PolarHBondContact O-N 3.24Å; N94-D96 PolarHBondContact OD1-N 3.16Å; D96-I98 PolarHBondContact O-N 3.04Å
97F96.9Very high97.7Very high28 Ų2846.1 Ų46.112%0.12322%0.224CC..  trans-76.584.5-177.1-167.9-133.7000112.5Y64 M65 Y68 L91 N94 P95 P99 A100 R101Y64-F97 AromaticContact CD2-CD1 3.84Å; Y64-F97 HydrophobicContact CD2-CD1 3.84Å; Y64-F97 HydrophobicContact CD2-CD2 4.45Å; Y64-F97 HydrophobicContact CD2-CE1 4.09Å; Y64-F97 HydrophobicContact CD2-CG 4.07Å; Y64-F97 HydrophobicContact CE2-CD1 4.08Å; Y64-F97 AromaticContact CE2-CD2 3.9Å; Y64-F97 HydrophobicContact CE2-CD2 3.9Å; Y64-F97 HydrophobicContact CE2-CE1 4.17Å; Y64-F97 HydrophobicContact CE2-CE2 4Å; Y64-F97 AromaticContact CE2-CG 3.98Å; Y64-F97 HydrophobicContact CE2-CG 3.98Å; Y64-F97 HydrophobicContact CE2-CZ 4.15Å; M65-F97 HydrophobicContact CE-CE2 4.34Å; M65-F97 HydrophobicContact CE-CZ 4.07Å; M65-F97 HydrophobicContact SD-CZ 4.41Å; Y68-F97 AromaticContact CD1-CE1 3.74Å; Y68-F97 HydrophobicContact CD1-CE1 3.74Å; Y68-F97 AromaticContact CD1-CZ 3.8Å; Y68-F97 HydrophobicContact CD1-CZ 3.8Å; Y68-F97 AromaticContact CD2-CE1 3.66Å; Y68-F97 HydrophobicContact CD2-CE1 3.66Å; Y68-F97 HydrophobicContact CD2-CZ 4.37Å; Y68-F97 HydrophobicContact CE1-CE1 4.27Å; Y68-F97 HydrophobicContact CE1-CZ 4.05Å; Y68-F97 HydrophobicContact CE2-CE1 4.24Å; Y68-F97 AromaticContact CG-CE1 3.41Å; Y68-F97 HydrophobicContact CG-CE1 3.41Å; Y68-F97 VanDerWaalsContact CG-CE1 3.41Å; Y68-F97 AromaticContact CG-CZ 3.98Å; Y68-F97 HydrophobicContact CG-CZ 3.98Å; L91-F97 HydrophobicContact CD2-CB 4.42Å; N94-F97 HydrophobicContact CB-CB 4.11Å; N94-F97 VanDerWaalsContact O-CB 3.28Å; N94-F97 WeakPolarHBondContact O-CB 3.46Å; N94-F97 PolarHBondContact O-N 3.07Å; P95-F97 PolarHBondContact O-N 3.02Å; F97-P99 VanDerWaalsContact C-CD 3.5Å; F97-P99 HydrophobicContact CD2-CG 4.31Å; F97-P99 HydrophobicContact CE1-CB 4.45Å; F97-P99 HydrophobicContact CE2-CB 4.26Å; F97-P99 HydrophobicContact CE2-CG 3.79Å; F97-P99 HydrophobicContact CZ-CB 4.04Å; F97-P99 HydrophobicContact CZ-CG 4.06Å; F97-A100 HydrophobicContact CD1-CB 3.36Å; F97-A100 HydrophobicContact CE1-CB 3.82Å; F97-A100 HydrophobicContact CG-CB 4.28Å; F97-A100 PolarHBondContact O-N 3.04Å; F97-A100 VanDerWaalsContact O-N 3.12Å; F97-R101 PolarHBondContact O-N 3.21Å
98I96.4Very high97.7Very high37 Ų3746.7 Ų46.719%0.1923%0.226CC..Hα-helixtrans-50.1-45.1-176.3-54.6-58.6000114D96 A100 R101 K102 V124 H127D96-I98 PolarHBondContact O-N 3.04Å; I98-A100 PolarHBondContact O-N 2.82Å; I98-R101 PolarHBondContact O-N 3.46Å; I98-K102 HydrophobicContact CG2-CD 4.19Å; I98-K102 HydrophobicContact CG2-CG 4.49Å; I98-K102 PolarHBondContact O-N 3.04Å; I98-V124 HydrophobicContact CD1-CB 4.39Å; I98-V124 HydrophobicContact CD1-CG1 3.83Å; I98-V124 HydrophobicContact CG2-CB 4.1Å; I98-V124 HydrophobicContact CG2-CG1 4Å; I98-H127 HydrophobicContact CD1-CB 4.49Å; I98-H127 HydrophobicContact CG1-CB 4.49Å; I98-H127 HydrophobicContact CG2-CB 4.44Å
99P96.6Very high97.7Very high51 Ų5145 Ų4533%0.33122%0.217SC..Hα-helixtrans-57.8-45.1177.9-25.936.2000112.9Y68 F97 R101 K102 H103Y68-P99 HydrophobicContact CE2-CB 4.1Å; F97-P99 VanDerWaalsContact C-CD 3.5Å; F97-P99 HydrophobicContact CD2-CG 4.31Å; F97-P99 HydrophobicContact CE1-CB 4.45Å; F97-P99 HydrophobicContact CE2-CB 4.26Å; F97-P99 HydrophobicContact CE2-CG 3.79Å; F97-P99 HydrophobicContact CZ-CB 4.04Å; F97-P99 HydrophobicContact CZ-CG 4.06Å; P99-R101 VanDerWaalsContact C-N 3.34Å; P99-R101 PolarHBondContact O-N 3.26Å; P99-K102 PolarHBondContact O-N 3.49Å; P99-H103 PolarHBondContact O-CD2 3.24Å; P99-H103 PolarHBondContact O-N 2.98Å
100A97.9Very high97.6Very high0 Ų042.9 Ų42.90%021%0.209CC..Hα-helixtrans-64-37.6178.100000112.1Y68 F87 A90 L91 F97 I98 H103 R104Y68-A100 HydrophobicContact CD2-CB 3.87Å; Y68-A100 HydrophobicContact CE2-CB 4.4Å; F87-A100 HydrophobicContact CD1-CB 4.32Å; A90-A100 HydrophobicContact CB-CB 4.3Å; L91-A100 HydrophobicContact CD2-CB 3.9Å; L91-A100 HydrophobicContact CG-CB 4.01Å; F97-A100 HydrophobicContact CD1-CB 3.36Å; F97-A100 HydrophobicContact CE1-CB 3.82Å; F97-A100 HydrophobicContact CG-CB 4.28Å; F97-A100 PolarHBondContact O-N 3.04Å; F97-A100 VanDerWaalsContact O-N 3.12Å; I98-A100 PolarHBondContact O-N 2.82Å; A100-H103 PolarHBondContact O-N 2.85Å; A100-R104 VanDerWaalsContact O-CB 3.25Å; A100-R104 WeakPolarHBondContact O-CB 3.45Å; A100-R104 PolarHBondContact O-N 3.01Å
101R98.2Very high97.4Very high53 Ų5344.2 Ų44.220%0.222%0.215CC..Hα-helixtrans-61-47173.9-66.5-170.9175.1-94.2-1.4111.8L91 P95 F97 I98 P99 H103 R104 A105 V124L91-R101 HydrophobicContact CD1-CG 3.86Å; L91-R101 HydrophobicContact CD2-CB 4.48Å; L91-R101 HydrophobicContact CD2-CG 3.39Å; L91-R101 HydrophobicContact CG-CG 4.28Å; P95-R101 PolarHBondContact O-NE 3.31Å; P95-R101 PolarHBondContact O-NH2 3.24Å; F97-R101 PolarHBondContact O-N 3.21Å; I98-R101 PolarHBondContact O-N 3.46Å; P99-R101 VanDerWaalsContact C-N 3.34Å; P99-R101 PolarHBondContact O-N 3.26Å; R101-H103 PolarHBondContact O-N 3.14Å; R101-R104 PolarHBondContact O-N 3.49Å; R101-A105 WeakPolarHBondContact O-CB 3.31Å; R101-A105 PolarHBondContact O-N 3.47Å; R101-V124 HydrophobicContact CB-CG1 3.73Å; R101-V124 HydrophobicContact CG-CG1 4.34Å
102K97.9Very high97.3Very high64 Ų6444.5 Ų44.528%0.27822%0.221SC..Hα-helixtrans-62.2-42.7177.9-72.4177.159.8177.80112.6I98 P99 A105 Y106 V124 D128I98-K102 HydrophobicContact CG2-CD 4.19Å; I98-K102 HydrophobicContact CG2-CG 4.49Å; I98-K102 PolarHBondContact O-N 3.04Å; P99-K102 PolarHBondContact O-N 3.49Å; K102-A105 PolarHBondContact O-N 3.21Å; K102-Y106 PolarHBondContact O-N 3.3Å; K102-Y106 VanDerWaalsContact O-N 3.08Å; K102-V124 HydrophobicContact CG-CG2 3.99Å; K102-D128 VanDerWaalsContact CE-OD2 3.31Å; K102-D128 WeakPolarHBondContact CE-OD2 3.48Å; K102-D128 IonicContact NZ-OD2 2.62Å; K102-D128 PolarHBondContact NZ-OD2 2.86Å
103H98.1Very high97.2Very high58 Ų5842.1 Ų42.127%0.26921%0.209SC..Hα-helixtrans-70.3-36.1177-77.3-74.2000112.2Y68 I75 F87 P99 A100 R101 Y106 V107Y68-H103 AromaticContact CE2-CD2 3.52Å; Y68-H103 AromaticContact CZ-CD2 3.8Å; Y68-H103 PolarHBondContact OH-CD2 3.38Å; Y68-H103 PolarHBondContact OH-NE2 3.16Å; Y68-H103 VanDerWaalsContact OH-NE2 3.12Å; I75-H103 HydrophobicContact CD1-CB 4.14Å; F87-H103 HydrophobicContact CD1-CB 4.43Å; F87-H103 HydrophobicContact CD2-CB 4.26Å; F87-H103 HydrophobicContact CE1-CB 3.85Å; F87-H103 HydrophobicContact CE2-CB 3.63Å; F87-H103 HydrophobicContact CZ-CB 3.42Å; F87-H103 VanDerWaalsContact CZ-CB 3.42Å; P99-H103 PolarHBondContact O-CD2 3.24Å; P99-H103 PolarHBondContact O-N 2.98Å; A100-H103 PolarHBondContact O-N 2.85Å; R101-H103 PolarHBondContact O-N 3.14Å; H103-Y106 WeakPolarHBondContact O-CB 3.42Å; H103-Y106 PolarHBondContact O-N 2.98Å; H103-V107 WeakPolarHBondContact O-CG2 3.19Å; H103-V107 PolarHBondContact O-N 3.48Å
104R98.4Very high97.2Very high38 Ų3840.4 Ų40.414%0.14320%0.2CC..Hα-helixtrans-61.5-45.2172.1-168.6173.469.6176.6-1.1111.7L84 F87 N88 L91 A100 R101 Y106 V107 K108 D120L84-R104 HydrophobicContact CD1-CG 3.84Å; F87-R104 HydrophobicContact CB-CB 3.94Å; F87-R104 HydrophobicContact CB-CG 4.22Å; F87-R104 HydrophobicContact CD2-CB 4.34Å; F87-R104 HydrophobicContact CG-CB 4.41Å; N88-R104 WeakPolarHBondContact OD1-CD 3.29Å; N88-R104 PolarHBondContact OD1-NH1 2.99Å; L91-R104 HydrophobicContact CD1-CB 4.45Å; L91-R104 VanDerWaalsContact CD1-CZ 3.41Å; A100-R104 VanDerWaalsContact O-CB 3.25Å; A100-R104 WeakPolarHBondContact O-CB 3.45Å; A100-R104 PolarHBondContact O-N 3.01Å; R101-R104 PolarHBondContact O-N 3.49Å; R104-Y106 VanDerWaalsContact C-N 3.31Å; R104-Y106 PolarHBondContact O-N 3.35Å; R104-V107 PolarHBondContact O-N 2.98Å; R104-K108 HydrophobicContact CG-CD 4.16Å; R104-K108 HydrophobicContact CG-CG 4.46Å; R104-K108 WeakPolarHBondContact O-CB 3.46Å; R104-K108 WeakPolarHBondContact O-CG 3.3Å; R104-K108 PolarHBondContact O-N 3.45Å; R104-D120 WeakPolarHBondContact CG-OD2 3.48Å; R104-D120 IonicContact CZ-OD1 3.44Å; R104-D120 IonicContact CZ-OD2 3.41Å; R104-D120 IonicContact NE-OD1 3.99Å; R104-D120 PolarHBondContact NE-OD1 3.08Å; R104-D120 IonicContact NE-OD2 3.49Å; R104-D120 PolarHBondContact NE-OD2 3.02Å; R104-D120 IonicContact NH2-OD1 2.67Å; R104-D120 PolarHBondContact NH2-OD1 3.38Å; R104-D120 IonicContact NH2-OD2 3.25Å
105A98.3Very high97.2Very high0 Ų043.3 Ų43.30%021%0.213CC..Hα-helixtrans-57.3-44.9174.800000111.7R101 K102 K108 L109 A117 D120 Y121R101-A105 WeakPolarHBondContact O-CB 3.31Å; R101-A105 PolarHBondContact O-N 3.47Å; K102-A105 PolarHBondContact O-N 3.21Å; A105-K108 PolarHBondContact O-N 3.37Å; A105-L109 WeakPolarHBondContact O-CB 3.1Å; A105-L109 PolarHBondContact O-N 2.92Å; A105-A117 WeakPolarHBondContact O-CB 3.46Å; A105-D120 HydrophobicContact CB-CB 3.58Å; A105-Y121 HydrophobicContact CB-CD1 3.79Å; A105-Y121 HydrophobicContact CB-CD2 3.69Å; A105-Y121 HydrophobicContact CB-CE1 3.61Å; A105-Y121 HydrophobicContact CB-CE2 3.5Å; A105-Y121 HydrophobicContact CB-CG 3.82Å; A105-Y121 VanDerWaalsContact CB-CZ 3.46Å
106Y97.7Very high97.3Very high81 Ų8143.8 Ų43.832%0.31821%0.209SC..Hα-helixtrans-60.9-46175.7175.6-105000112.6I75 K102 H103 R104 L109 R110I75-Y106 HydrophobicContact CD1-CD1 4.26Å; I75-Y106 HydrophobicContact CG2-CD1 4.38Å; I75-Y106 HydrophobicContact CG2-CE1 3.84Å; K102-Y106 PolarHBondContact O-N 3.3Å; K102-Y106 VanDerWaalsContact O-N 3.08Å; H103-Y106 WeakPolarHBondContact O-CB 3.42Å; H103-Y106 PolarHBondContact O-N 2.98Å; R104-Y106 VanDerWaalsContact C-N 3.31Å; R104-Y106 PolarHBondContact O-N 3.35Å; Y106-L109 WeakPolarHBondContact O-CB 3.23Å; Y106-L109 PolarHBondContact O-N 2.91Å; Y106-R110 HydrophobicContact CE1-CG 4.16Å; Y106-R110 HydrophobicContact CE2-CG 4.26Å; Y106-R110 VanDerWaalsContact O-CG 3.31Å; Y106-R110 WeakPolarHBondContact O-CG 3.42Å; Y106-R110 PolarHBondContact O-N 3.45Å; Y106-R110 PolarHBondContact OH-NH1 2.76Å
107V97.7Very high97.5Very high1 Ų137.4 Ų37.41%0.00618%0.175CC..Hα-helixtrans-65.4-41177.4172.30000111.7I75 C80 L84 F87 H103 R104 L109 R110 M111I75-V107 HydrophobicContact CD1-CG2 3.91Å; I75-V107 HydrophobicContact CG1-CG2 3.77Å; C80-V107 HydrophobicContact CB-CG1 3.94Å; C80-V107 VanDerWaalsContact O-CG1 3.28Å; C80-V107 WeakPolarHBondContact O-CG1 3.44Å; L84-V107 HydrophobicContact CB-CG1 4.1Å; L84-V107 HydrophobicContact CD1-CG1 4.44Å; F87-V107 HydrophobicContact CD2-CG2 4.31Å; F87-V107 HydrophobicContact CE2-CG2 3.84Å; H103-V107 WeakPolarHBondContact O-CG2 3.19Å; H103-V107 PolarHBondContact O-N 3.48Å; R104-V107 PolarHBondContact O-N 2.98Å; V107-L109 PolarHBondContact O-N 3.3Å; V107-R110 PolarHBondContact O-N 3.12Å; V107-M111 HydrophobicContact CG1-CE 3.96Å; V107-M111 HydrophobicContact CG1-SD 4.2Å; V107-M111 WeakPolarHBondContact O-CG 3.48Å; V107-M111 PolarHBondContact O-N 3.04Å
108K98.3Very high97.5Very high12 Ų1236.2 Ų36.25%0.05217%0.17CC..Hα-helixtrans-59.5-43.5173.9-78.3171.6165-1780112.2L84 R104 A105 M111 G112 K113 E116 A117 D120L84-K108 HydrophobicContact CD1-CG 3.94Å; R104-K108 HydrophobicContact CG-CD 4.16Å; R104-K108 HydrophobicContact CG-CG 4.46Å; R104-K108 WeakPolarHBondContact O-CB 3.46Å; R104-K108 WeakPolarHBondContact O-CG 3.3Å; R104-K108 PolarHBondContact O-N 3.45Å; A105-K108 PolarHBondContact O-N 3.37Å; K108-M111 HydrophobicContact CG-CE 4.25Å; K108-M111 CarbonylContact O-C 3.57Å; K108-M111 PolarHBondContact O-N 2.99Å; K108-G112 PolarHBondContact O-N 3.5Å; K108-K113 HydrophobicContact CB-CB 4.04Å; K108-K113 HydrophobicContact CG-CB 4.37Å; K108-K113 HydrophobicContact CG-CD 4.37Å; K108-K113 WeakPolarHBondContact O-CA 3.5Å; K108-K113 WeakPolarHBondContact O-CB 3.42Å; K108-K113 PolarHBondContact O-N 3.39Å; K108-E116 HydrophobicContact CD-CB 3.71Å; K108-E116 WeakPolarHBondContact CD-O 3.41Å; K108-E116 WeakPolarHBondContact CE-OE2 3.5Å; K108-E116 HydrophobicContact CG-CB 4.45Å; K108-E116 PolarHBondContact NZ-O 2.9Å; K108-E116 VanDerWaalsContact NZ-O 3.12Å; K108-E116 IonicContact NZ-OE2 3.56Å; K108-A117 HydrophobicContact CB-CB 3.84Å; K108-D120 WeakPolarHBondContact CD-OD2 3.48Å; K108-D120 WeakPolarHBondContact CE-OD2 3.46Å; K108-D120 VanDerWaalsContact NZ-CG 3.31Å; K108-D120 IonicContact NZ-OD1 3.14Å; K108-D120 PolarHBondContact NZ-OD1 3.31Å; K108-D120 IonicContact NZ-OD2 3.57Å; K108-D120 PolarHBondContact NZ-OD2 3.4Å
109L97.8Very high97.6Very high13 Ų1339.8 Ų39.87%0.06819%0.186CC..Hα-helixtrans-57.2-50.5173.4170.158.2000111.2A105 Y106 V107 M111 G112 L114 A117 I138 L141 V171A105-L109 WeakPolarHBondContact O-CB 3.1Å; A105-L109 PolarHBondContact O-N 2.92Å; Y106-L109 WeakPolarHBondContact O-CB 3.23Å; Y106-L109 PolarHBondContact O-N 2.91Å; V107-L109 PolarHBondContact O-N 3.3Å; L109-M111 PolarHBondContact O-N 2.79Å; L109-G112 PolarHBondContact O-N 3.22Å; L109-L114 HydrophobicContact CD1-CD2 3.55Å; L109-A117 HydrophobicContact CB-CB 4.16Å; L109-I138 HydrophobicContact CD1-CD1 4.41Å; L109-I138 HydrophobicContact CD1-CG1 3.9Å; L109-I138 HydrophobicContact CD2-CD1 4.33Å; L109-I138 HydrophobicContact CD2-CG1 4.09Å; L109-L141 HydrophobicContact CD1-CD1 3.93Å; L109-V171 HydrophobicContact CD1-CG2 3.99Å
110R96.3Very high97.7Very high36 Ų3637.7 Ų37.714%0.13617%0.172CC..Hα-helixtrans-57.8-36.1179.1-68.3-74.1-59.6-108.2-20.2112.4Y106 V107 G112 S170 V171 D172 Y173 A174Y106-R110 HydrophobicContact CE1-CG 4.16Å; Y106-R110 HydrophobicContact CE2-CG 4.26Å; Y106-R110 VanDerWaalsContact O-CG 3.31Å; Y106-R110 WeakPolarHBondContact O-CG 3.42Å; Y106-R110 PolarHBondContact O-N 3.45Å; Y106-R110 PolarHBondContact OH-NH1 2.76Å; V107-R110 PolarHBondContact O-N 3.12Å; R110-G112 VanDerWaalsContact C-N 3.29Å; R110-G112 PolarHBondContact O-N 3.24Å; R110-S170 WeakPolarHBondContact CD-O 3.24Å; R110-V171 CarbonylContact O-C 3.32Å; R110-D172 IonicContact CZ-OD1 2.72Å; R110-D172 IonicContact CZ-OD2 3.67Å; R110-D172 VanDerWaalsContact CZ-OD2 3.31Å; R110-D172 VanDerWaalsContact NE-CG 3.32Å; R110-D172 IonicContact NE-OD1 3.76Å; R110-D172 PolarHBondContact NE-OD1 3.13Å; R110-D172 IonicContact NE-OD2 3.47Å; R110-D172 IonicContact NH2-OD1 3.37Å; R110-D172 PolarHBondContact NH2-OD1 3.39Å; R110-D172 IonicContact NH2-OD2 2.87Å; R110-D172 PolarHBondContact NH2-OD2 3.42Å; R110-D172 PolarHBondContact O-N 3.11Å; R110-Y173 CarbonylContact O-C 3.41Å; R110-Y173 WeakPolarHBondContact O-CA 3.4Å; R110-Y173 WeakPolarHBondContact O-CB 3.29Å; R110-Y173 PolarHBondContact O-N 3.04Å; R110-A174 PolarHBondContact O-N 3.4Å
111M95Very high97.7Very high28 Ų2837.8 Ų37.814%0.13817%0.172CC..THydrogen-bonded Turntrans-81.21.7175.7-63.5-178.5-52.700114.5C80 L84 V107 K108 L109 K113 Y173C80-M111 HydrophobicContact CB-CG 3.71Å; C80-M111 HydrophobicContact CB-SD 4.03Å; L84-M111 HydrophobicContact CB-CE 4.34Å; L84-M111 HydrophobicContact CD1-CE 3.9Å; L84-M111 HydrophobicContact CD2-CE 3.63Å; L84-M111 HydrophobicContact CD2-SD 4.24Å; L84-M111 HydrophobicContact CG-CE 4.14Å; V107-M111 HydrophobicContact CG1-CE 3.96Å; V107-M111 HydrophobicContact CG1-SD 4.2Å; V107-M111 WeakPolarHBondContact O-CG 3.48Å; V107-M111 PolarHBondContact O-N 3.04Å; K108-M111 HydrophobicContact CG-CE 4.25Å; K108-M111 CarbonylContact O-C 3.57Å; K108-M111 PolarHBondContact O-N 2.99Å; L109-M111 PolarHBondContact O-N 2.79Å; M111-K113 VanDerWaalsContact C-N 3.29Å; M111-K113 HydrophobicContact CB-CG 4.36Å; M111-K113 HydrophobicContact CE-CD 3.83Å; M111-K113 HydrophobicContact CE-CG 4.48Å; M111-K113 PolarHBondContact O-N 3.34Å; M111-Y173 HydrophobicContact CG-CD1 3.93Å; M111-Y173 HydrophobicContact CG-CG 4.46Å
112G95.8Very high97.6Very high16 Ų1640.2 Ų40.217%0.16519%0.186CC..THydrogen-bonded Turntrans77.38.4-178.400000115K108 L109 R110 L114K108-G112 PolarHBondContact O-N 3.5Å; L109-G112 PolarHBondContact O-N 3.22Å; R110-G112 VanDerWaalsContact C-N 3.29Å; R110-G112 PolarHBondContact O-N 3.24Å; G112-L114 PolarHBondContact O-N 3.39Å
113K96.8Very high97.6Very high78 Ų7840 Ų4034%0.33919%0.193SC..  trans-79.462.5174.3-58.9-175.6171.9-157.10110.4K108 M111 M115 E116 A117K108-K113 HydrophobicContact CB-CB 4.04Å; K108-K113 HydrophobicContact CG-CB 4.37Å; K108-K113 HydrophobicContact CG-CD 4.37Å; K108-K113 WeakPolarHBondContact O-CA 3.5Å; K108-K113 WeakPolarHBondContact O-CB 3.42Å; K108-K113 PolarHBondContact O-N 3.39Å; M111-K113 VanDerWaalsContact C-N 3.29Å; M111-K113 HydrophobicContact CB-CG 4.36Å; M111-K113 HydrophobicContact CE-CD 3.83Å; M111-K113 HydrophobicContact CE-CG 4.48Å; M111-K113 PolarHBondContact O-N 3.34Å; K113-M115 PolarHBondContact O-N 3.32Å; K113-E116 HydrophobicContact CB-CB 4.2Å; K113-E116 HydrophobicContact CB-CG 4.46Å; K113-E116 WeakPolarHBondContact CD-OE1 3.45Å; K113-E116 IonicContact NZ-OE1 3.63Å; K113-E116 PolarHBondContact O-N 3.34Å; K113-A117 WeakPolarHBondContact O-CB 3.47Å; K113-A117 PolarHBondContact O-N 3.47Å
114L98Very high97.4Very high14 Ų1437.3 Ų37.37%0.07318%0.18CC..Hα-helixtrans-61.3-45.5-166.9-56.8-169.1000112.6L109 G112 A117 I118 I138 Q142 W145 V171L109-L114 HydrophobicContact CD1-CD2 3.55Å; G112-L114 PolarHBondContact O-N 3.39Å; L114-A117 WeakPolarHBondContact O-CB 3.5Å; L114-A117 PolarHBondContact O-N 2.93Å; L114-I118 WeakPolarHBondContact O-CG1 3.44Å; L114-I118 PolarHBondContact O-N 2.97Å; L114-I138 HydrophobicContact CB-CG2 3.82Å; L114-I138 HydrophobicContact CD2-CG2 4.19Å; L114-I138 HydrophobicContact CG-CG2 4.4Å; L114-Q142 HydrophobicContact CD1-CB 3.79Å; L114-Q142 HydrophobicContact CD1-CG 4.28Å; L114-W145 HydrophobicContact CD1-CE3 3.97Å; L114-W145 HydrophobicContact CD1-CZ3 4.33Å; L114-W145 HydrophobicContact CG-CE3 4.5Å; L114-W145 HydrophobicContact CG-CZ3 4.36Å; L114-V171 HydrophobicContact CD2-CG2 4.29Å
115M97.8Very high97.3Very high101 Ų10138.5 Ų38.550%0.49819%0.189SC..Hα-helixtrans-64.3-46.7178.6-65.3-53.5-56.700111.9K113 A117 I118 E119K113-M115 PolarHBondContact O-N 3.32Å; M115-A117 PolarHBondContact O-N 3.29Å; M115-I118 WeakPolarHBondContact O-CB 3.4Å; M115-I118 PolarHBondContact O-N 3.18Å; M115-I118 VanDerWaalsContact O-N 3.14Å; M115-I118 HydrophobicContact SD-CD1 4.36Å; M115-E119 WeakPolarHBondContact O-CG 3.33Å; M115-E119 PolarHBondContact O-N 3.06Å
116E98.3Very high97Very high76 Ų7646 Ų4636%0.35523%0.23SC..Hα-helixtrans-64.3-27.6177.5-63-179.2-125.400112.7K108 K113 D120K108-E116 HydrophobicContact CD-CB 3.71Å; K108-E116 WeakPolarHBondContact CD-O 3.41Å; K108-E116 WeakPolarHBondContact CE-OE2 3.5Å; K108-E116 HydrophobicContact CG-CB 4.45Å; K108-E116 PolarHBondContact NZ-O 2.9Å; K108-E116 VanDerWaalsContact NZ-O 3.12Å; K108-E116 IonicContact NZ-OE2 3.56Å; K113-E116 HydrophobicContact CB-CB 4.2Å; K113-E116 HydrophobicContact CB-CG 4.46Å; K113-E116 WeakPolarHBondContact CD-OE1 3.45Å; K113-E116 IonicContact NZ-OE1 3.63Å; K113-E116 PolarHBondContact O-N 3.34Å; E116-D120 PolarHBondContact O-N 3.02Å
117A98.3Very high96.8Very high0 Ų048.7 Ų48.70%025%0.245CC..Hα-helixtrans-73.4-41.2174.500000111.4A105 K108 L109 K113 L114 M115 D120 Y121 I138A105-A117 WeakPolarHBondContact O-CB 3.46Å; K108-A117 HydrophobicContact CB-CB 3.84Å; L109-A117 HydrophobicContact CB-CB 4.16Å; K113-A117 WeakPolarHBondContact O-CB 3.47Å; K113-A117 PolarHBondContact O-N 3.47Å; L114-A117 WeakPolarHBondContact O-CB 3.5Å; L114-A117 PolarHBondContact O-N 2.93Å; M115-A117 PolarHBondContact O-N 3.29Å; A117-D120 PolarHBondContact O-N 3.04Å; A117-Y121 WeakPolarHBondContact O-CD2 3.45Å; A117-Y121 PolarHBondContact O-N 2.97Å; A117-I138 HydrophobicContact CB-CD1 4.06Å
118I98.4Very high96.5Very high4 Ų450.9 Ų50.92%0.02126%0.256CS..Hα-helixtrans-59.9-49.4173.3-71.1163.8000109.9L114 M115 D120 Y121 E122 I135 I138L114-I118 WeakPolarHBondContact O-CG1 3.44Å; L114-I118 PolarHBondContact O-N 2.97Å; M115-I118 WeakPolarHBondContact O-CB 3.4Å; M115-I118 PolarHBondContact O-N 3.18Å; M115-I118 VanDerWaalsContact O-N 3.14Å; M115-I118 HydrophobicContact SD-CD1 4.36Å; I118-D120 VanDerWaalsContact C-N 3.29Å; I118-D120 PolarHBondContact O-N 2.89Å; I118-Y121 CarbonylContact O-C 3.22Å; I118-Y121 PolarHBondContact O-N 2.85Å; I118-E122 HydrophobicContact CG2-CG 3.97Å; I118-E122 WeakPolarHBondContact CG2-OE1 3.33Å; I118-E122 WeakPolarHBondContact O-CB 3.41Å; I118-E122 WeakPolarHBondContact O-CG 3.39Å; I118-E122 PolarHBondContact O-N 2.84Å; I118-I135 HydrophobicContact CG2-CG2 4.18Å; I118-I138 HydrophobicContact CD1-CB 4.27Å; I118-I138 HydrophobicContact CD1-CG2 3.7Å; I118-I138 HydrophobicContact CG1-CB 4.06Å; I118-I138 HydrophobicContact CG1-CD1 4.23Å; I118-I138 HydrophobicContact CG1-CG2 3.74Å
119E98Very high96.1Very high111 Ų11156 Ų5652%0.51929%0.288SS..Hα-helixtrans-54.9-43.5178.2-71.8171.2-174.900112.4M115 E122 S123M115-E119 WeakPolarHBondContact O-CG 3.33Å; M115-E119 PolarHBondContact O-N 3.06Å; E119-E122 PolarHBondContact O-N 3.27Å; E119-S123 WeakPolarHBondContact O-CB 3.25Å; E119-S123 PolarHBondContact O-N 3.5Å
120D98.1Very high95.8Very high7 Ų757.3 Ų57.34%0.03731%0.305CS..Hα-helixtrans-66.4-40.3176.9-82.4-19.1000112.1R104 A105 K108 E116 A117 I118 S123R104-D120 WeakPolarHBondContact CG-OD2 3.48Å; R104-D120 IonicContact CZ-OD1 3.44Å; R104-D120 IonicContact CZ-OD2 3.41Å; R104-D120 IonicContact NE-OD1 3.99Å; R104-D120 PolarHBondContact NE-OD1 3.08Å; R104-D120 IonicContact NE-OD2 3.49Å; R104-D120 PolarHBondContact NE-OD2 3.02Å; R104-D120 IonicContact NH2-OD1 2.67Å; R104-D120 PolarHBondContact NH2-OD1 3.38Å; R104-D120 IonicContact NH2-OD2 3.25Å; A105-D120 HydrophobicContact CB-CB 3.58Å; K108-D120 WeakPolarHBondContact CD-OD2 3.48Å; K108-D120 WeakPolarHBondContact CE-OD2 3.46Å; K108-D120 VanDerWaalsContact NZ-CG 3.31Å; K108-D120 IonicContact NZ-OD1 3.14Å; K108-D120 PolarHBondContact NZ-OD1 3.31Å; K108-D120 IonicContact NZ-OD2 3.57Å; K108-D120 PolarHBondContact NZ-OD2 3.4Å; E116-D120 PolarHBondContact O-N 3.02Å; A117-D120 PolarHBondContact O-N 3.04Å; I118-D120 VanDerWaalsContact C-N 3.29Å; I118-D120 PolarHBondContact O-N 2.89Å; D120-S123 PolarHBondContact O-N 3.42Å; D120-S123 PolarHBondContact O-OG 3.03Å
121Y98.1Very high95.8Very high2 Ų255.6 Ų55.61%0.00830%0.299CS..Hα-helixtrans-68.5-40176-77.3-51.4000112.7A105 A117 I118 S123 V124 L125 V131 K134 I138A105-Y121 HydrophobicContact CB-CD1 3.79Å; A105-Y121 HydrophobicContact CB-CD2 3.69Å; A105-Y121 HydrophobicContact CB-CE1 3.61Å; A105-Y121 HydrophobicContact CB-CE2 3.5Å; A105-Y121 HydrophobicContact CB-CG 3.82Å; A105-Y121 VanDerWaalsContact CB-CZ 3.46Å; A117-Y121 WeakPolarHBondContact O-CD2 3.45Å; A117-Y121 PolarHBondContact O-N 2.97Å; I118-Y121 CarbonylContact O-C 3.22Å; I118-Y121 PolarHBondContact O-N 2.85Å; Y121-S123 VanDerWaalsContact C-N 3.3Å; Y121-S123 PolarHBondContact O-N 3.04Å; Y121-V124 VanDerWaalsContact O-CG2 3.25Å; Y121-V124 WeakPolarHBondContact O-CG2 3.43Å; Y121-V124 PolarHBondContact O-N 3.28Å; Y121-L125 PolarHBondContact O-N 3.45Å; Y121-V131 HydrophobicContact CD1-CB 3.9Å; Y121-V131 HydrophobicContact CD1-CG1 3.93Å; Y121-V131 HydrophobicContact CE1-CG1 4.49Å; Y121-V131 HydrophobicContact CG-CB 4.38Å; Y121-V131 WeakPolarHBondContact O-CG2 3.27Å; Y121-K134 HydrophobicContact CD1-CD 4.32Å; Y121-K134 HydrophobicContact CD2-CB 4.34Å; Y121-K134 HydrophobicContact CE1-CD 3.57Å; Y121-K134 HydrophobicContact CE2-CB 4.17Å; Y121-K134 HydrophobicContact CE2-CD 4.19Å; Y121-K134 VanDerWaalsContact CZ-CD 3.49Å; Y121-K134 WeakPolarHBondContact OH-CD 3.46Å; Y121-K134 PolarHBondContact OH-NZ 3.18Å; Y121-I138 HydrophobicContact CD2-CD1 3.74Å; Y121-I138 HydrophobicContact CE2-CD1 3.74Å
122E97.4Very high95.8Very high105 Ų10557.2 Ų57.249%0.49131%0.313SS..Hα-helixtrans-61.5-40.2175.2-74.3179.416100111.2I118 E119 V124 L125 I135I118-E122 HydrophobicContact CG2-CG 3.97Å; I118-E122 WeakPolarHBondContact CG2-OE1 3.33Å; I118-E122 WeakPolarHBondContact O-CB 3.41Å; I118-E122 WeakPolarHBondContact O-CG 3.39Å; I118-E122 PolarHBondContact O-N 2.84Å; E119-E122 PolarHBondContact O-N 3.27Å; E122-V124 PolarHBondContact O-N 3Å; E122-V124 VanDerWaalsContact O-N 3.07Å; E122-L125 VanDerWaalsContact O-CB 3.32Å; E122-L125 WeakPolarHBondContact O-CB 3.02Å; E122-L125 PolarHBondContact O-N 3.15Å; E122-L125 VanDerWaalsContact O-N 3.14Å; E122-I135 HydrophobicContact CG-CD1 3.78Å
123S95.9Very high95.8Very high60 Ų6059.7 Ų59.742%0.4233%0.332SS..THydrogen-bonded Turntrans-61.2-19.917978.20000114.2E119 D120 Y121E119-S123 WeakPolarHBondContact O-CB 3.25Å; E119-S123 PolarHBondContact O-N 3.5Å; D120-S123 PolarHBondContact O-N 3.42Å; D120-S123 PolarHBondContact O-OG 3.03Å; Y121-S123 VanDerWaalsContact C-N 3.3Å; Y121-S123 PolarHBondContact O-N 3.04Å
124V95.6Very high95.8Very high0 Ų059.8 Ų59.80%033%0.332CS..THydrogen-bonded Turntrans-1123.6-179.6-55.90000113.5I98 R101 K102 Y121 E122 N126 H127 D128 V131I98-V124 HydrophobicContact CD1-CB 4.39Å; I98-V124 HydrophobicContact CD1-CG1 3.83Å; I98-V124 HydrophobicContact CG2-CB 4.1Å; I98-V124 HydrophobicContact CG2-CG1 4Å; R101-V124 HydrophobicContact CB-CG1 3.73Å; R101-V124 HydrophobicContact CG-CG1 4.34Å; K102-V124 HydrophobicContact CG-CG2 3.99Å; Y121-V124 VanDerWaalsContact O-CG2 3.25Å; Y121-V124 WeakPolarHBondContact O-CG2 3.43Å; Y121-V124 PolarHBondContact O-N 3.28Å; E122-V124 PolarHBondContact O-N 3Å; E122-V124 VanDerWaalsContact O-N 3.07Å; V124-N126 PolarHBondContact O-N 2.84Å; V124-N126 VanDerWaalsContact O-N 3.16Å; V124-H127 WeakPolarHBondContact O-CB 3.41Å; V124-H127 PolarHBondContact O-N 3.45Å; V124-D128 PolarHBondContact O-N 3.44Å; V124-D128 VanDerWaalsContact O-N 3.15Å; V124-V131 HydrophobicContact CG2-CG1 4Å; V124-V131 HydrophobicContact CG2-CG2 4.37Å
125L94.7Very high95.8Very high63 Ų6359.9 Ų59.933%0.3333%0.333SS..THydrogen-bonded Turntrans-57.1-34.4-174.4-174.963.5000113.4Y121 E122 H127 V131Y121-L125 PolarHBondContact O-N 3.45Å; E122-L125 VanDerWaalsContact O-CB 3.32Å; E122-L125 WeakPolarHBondContact O-CB 3.02Å; E122-L125 PolarHBondContact O-N 3.15Å; E122-L125 VanDerWaalsContact O-N 3.14Å; L125-H127 PolarHBondContact O-N 3.26Å; L125-V131 HydrophobicContact CB-CG2 4.17Å; L125-V131 HydrophobicContact CD1-CG2 3.56Å; L125-V131 HydrophobicContact CG-CG2 4.49Å
126N93.9Very high95.8Very high159 Ų15958.6 Ų58.685%0.8533%0.334SS*.THydrogen-bonded Turntrans-69-18.3176.6-67.3-23.7000113.8V124V124-N126 PolarHBondContact O-N 2.84Å; V124-N126 VanDerWaalsContact O-N 3.16Å
127H93Very high95.7Very high136 Ų13659.4 Ų59.463%0.6334%0.338SS*.THydrogen-bonded Turntrans-102.4-26.1-177.7-60.487.6000112.7I98 V124 L125I98-H127 HydrophobicContact CD1-CB 4.49Å; I98-H127 HydrophobicContact CG1-CB 4.49Å; I98-H127 HydrophobicContact CG2-CB 4.44Å; V124-H127 WeakPolarHBondContact O-CB 3.41Å; V124-H127 PolarHBondContact O-N 3.45Å; L125-H127 PolarHBondContact O-N 3.26Å
128D91.5Very high95.7Very high48 Ų4859.4 Ų59.426%0.25734%0.338SS..  trans-14699.8-179.1179.41.4000109.8K102 V124 G130 V131K102-D128 VanDerWaalsContact CE-OD2 3.31Å; K102-D128 WeakPolarHBondContact CE-OD2 3.48Å; K102-D128 IonicContact NZ-OD2 2.62Å; K102-D128 PolarHBondContact NZ-OD2 2.86Å; V124-D128 PolarHBondContact O-N 3.44Å; V124-D128 VanDerWaalsContact O-N 3.15Å; D128-G130 PolarHBondContact O-N 3.39Å; D128-G130 WeakPolarHBondContact OD1-CA 3.11Å; D128-G130 PolarHBondContact OD1-N 3.37Å; D128-V131 HydrophobicContact CB-CG1 4.05Å; D128-V131 WeakPolarHBondContact O-CG2 3.28Å; D128-V131 PolarHBondContact O-N 2.72Å
129T89.4Confident95.7Very high118 Ų11863 Ų6372%0.72435%0.354SS*.THydrogen-bonded Turntrans-65.2-1917955.10000112.9V131 S132T129-V131 PolarHBondContact O-N 2.69Å; T129-S132 WeakPolarHBondContact O-CB 3.3Å; T129-S132 PolarHBondContact O-N 2.89Å; T129-S132 VanDerWaalsContact O-N 3.15Å
130G91.9Very high95.7Very high41 Ų4164 Ų6442%0.42336%0.357SS..THydrogen-bonded Turntrans-64.8-19176.100000113.6D128 S132 A133D128-G130 PolarHBondContact O-N 3.39Å; D128-G130 WeakPolarHBondContact OD1-CA 3.11Å; D128-G130 PolarHBondContact OD1-N 3.37Å; G130-S132 PolarHBondContact O-N 3.16Å; G130-A133 PolarHBondContact O-N 2.78Å
131V94.9Very high95.6Very high0 Ų064.2 Ų64.20%036%0.358CS..Hα-helixtrans-70.4-19.8175.2-510000112.8Y121 V124 L125 D128 T129 A133 K134 I135Y121-V131 HydrophobicContact CD1-CB 3.9Å; Y121-V131 HydrophobicContact CD1-CG1 3.93Å; Y121-V131 HydrophobicContact CE1-CG1 4.49Å; Y121-V131 HydrophobicContact CG-CB 4.38Å; Y121-V131 WeakPolarHBondContact O-CG2 3.27Å; V124-V131 HydrophobicContact CG2-CG1 4Å; V124-V131 HydrophobicContact CG2-CG2 4.37Å; L125-V131 HydrophobicContact CB-CG2 4.17Å; L125-V131 HydrophobicContact CD1-CG2 3.56Å; L125-V131 HydrophobicContact CG-CG2 4.49Å; D128-V131 HydrophobicContact CB-CG1 4.05Å; D128-V131 WeakPolarHBondContact O-CG2 3.28Å; D128-V131 PolarHBondContact O-N 2.72Å; T129-V131 PolarHBondContact O-N 2.69Å; V131-A133 VanDerWaalsContact C-N 3.28Å; V131-A133 PolarHBondContact O-N 3.15Å; V131-K134 WeakPolarHBondContact O-CB 3.46Å; V131-K134 PolarHBondContact O-N 3.3Å; V131-K134 VanDerWaalsContact O-N 3.09Å; V131-I135 HydrophobicContact CG2-CD1 4.46Å; V131-I135 WeakPolarHBondContact O-CG1 3.43Å; V131-I135 PolarHBondContact O-N 3.18Å
132S95.9Very high95.6Very high62 Ų6266.7 Ų66.743%0.43437%0.37SS..Hα-helixtrans-58.4-40.5175.5-174.90000112T129 G130 K134 I135 S136T129-S132 WeakPolarHBondContact O-CB 3.3Å; T129-S132 PolarHBondContact O-N 2.89Å; T129-S132 VanDerWaalsContact O-N 3.15Å; G130-S132 PolarHBondContact O-N 3.16Å; S132-K134 VanDerWaalsContact C-N 3.33Å; S132-I135 PolarHBondContact O-N 2.77Å; S132-S136 PolarHBondContact O-N 3.21Å; S132-S136 VanDerWaalsContact O-N 3.11Å; S132-S136 PolarHBondContact O-OG 3.26Å
133A96.3Very high95.6Very high69 Ų6966.5 Ų66.557%0.5737%0.372SS*.Hα-helixtrans-65.8-38.1177.400000111.5G130 V131 S136 E137G130-A133 PolarHBondContact O-N 2.78Å; V131-A133 VanDerWaalsContact C-N 3.28Å; V131-A133 PolarHBondContact O-N 3.15Å; A133-S136 PolarHBondContact O-N 3.34Å; A133-E137 PolarHBondContact O-N 2.91Å
134K96.5Very high95.7Very high79 Ų7965.5 Ų65.534%0.34336%0.361SS..Hα-helixtrans-64.1-41.8175.2-62.8-170.1169.4-163.90111.9Y121 V131 S132 E137 I138Y121-K134 HydrophobicContact CD1-CD 4.32Å; Y121-K134 HydrophobicContact CD2-CB 4.34Å; Y121-K134 HydrophobicContact CE1-CD 3.57Å; Y121-K134 HydrophobicContact CE2-CB 4.17Å; Y121-K134 HydrophobicContact CE2-CD 4.19Å; Y121-K134 VanDerWaalsContact CZ-CD 3.49Å; Y121-K134 WeakPolarHBondContact OH-CD 3.46Å; Y121-K134 PolarHBondContact OH-NZ 3.18Å; V131-K134 WeakPolarHBondContact O-CB 3.46Å; V131-K134 PolarHBondContact O-N 3.3Å; V131-K134 VanDerWaalsContact O-N 3.09Å; S132-K134 VanDerWaalsContact C-N 3.33Å; K134-E137 WeakPolarHBondContact O-CB 3.47Å; K134-E137 PolarHBondContact O-N 2.93Å; K134-I138 VanDerWaalsContact O-CG1 3.29Å; K134-I138 WeakPolarHBondContact O-CG1 3.42Å; K134-I138 PolarHBondContact O-N 3.46Å
135I98Very high95.8Very high17 Ų1766.1 Ų66.19%0.08736%0.363CS..Hα-helixtrans-60.5-46.6176.1-66.5163.8000110.4I118 E122 V131 S132 E137 I138 H139I118-I135 HydrophobicContact CG2-CG2 4.18Å; E122-I135 HydrophobicContact CG-CD1 3.78Å; V131-I135 HydrophobicContact CG2-CD1 4.46Å; V131-I135 WeakPolarHBondContact O-CG1 3.43Å; V131-I135 PolarHBondContact O-N 3.18Å; S132-I135 PolarHBondContact O-N 2.77Å; I135-E137 VanDerWaalsContact C-N 3.32Å; I135-E137 PolarHBondContact O-N 3.23Å; I135-I138 PolarHBondContact O-N 3.38Å; I135-H139 PolarHBondContact O-CD2 3.36Å; I135-H139 VanDerWaalsContact O-CD2 3.28Å; I135-H139 PolarHBondContact O-N 3.1Å
136S97.7Very high96Very high74 Ų7466.9 Ų66.952%0.51737%0.365SS..Hα-helixtrans-61-38.4176-58.90000113S132 A133 H139 K140S132-S136 PolarHBondContact O-N 3.21Å; S132-S136 VanDerWaalsContact O-N 3.11Å; S132-S136 PolarHBondContact O-OG 3.26Å; A133-S136 PolarHBondContact O-N 3.34Å; S136-H139 PolarHBondContact O-N 2.63Å; S136-K140 PolarHBondContact O-N 2.79Å
137E96.5Very high96.2Very high93 Ų9362.7 Ų62.744%0.43534%0.343SS..Hα-helixtrans-63.1-43.9174.7-173.4-179.2-176.900111.7A133 K134 I135 H139 K140 L141A133-E137 PolarHBondContact O-N 2.91Å; K134-E137 WeakPolarHBondContact O-CB 3.47Å; K134-E137 PolarHBondContact O-N 2.93Å; I135-E137 VanDerWaalsContact C-N 3.32Å; I135-E137 PolarHBondContact O-N 3.23Å; E137-H139 VanDerWaalsContact C-N 3.35Å; E137-H139 PolarHBondContact O-N 3.48Å; E137-K140 WeakPolarHBondContact O-CB 3.06Å; E137-K140 PolarHBondContact O-N 3.27Å; E137-K140 VanDerWaalsContact O-N 3.12Å; E137-L141 HydrophobicContact CG-CD1 4.45Å; E137-L141 WeakPolarHBondContact O-CG 3.03Å; E137-L141 PolarHBondContact O-N 2.95Å
138I98Very high96.5Very high0 Ų056.2 Ų56.20%031%0.313CS..Hα-helixtrans-62.9-41178.1-63.1170.3000111.3L109 L114 A117 I118 Y121 K134 I135 K140 L141 Q142L109-I138 HydrophobicContact CD1-CD1 4.41Å; L109-I138 HydrophobicContact CD1-CG1 3.9Å; L109-I138 HydrophobicContact CD2-CD1 4.33Å; L109-I138 HydrophobicContact CD2-CG1 4.09Å; L114-I138 HydrophobicContact CB-CG2 3.82Å; L114-I138 HydrophobicContact CD2-CG2 4.19Å; L114-I138 HydrophobicContact CG-CG2 4.4Å; A117-I138 HydrophobicContact CB-CD1 4.06Å; I118-I138 HydrophobicContact CD1-CB 4.27Å; I118-I138 HydrophobicContact CD1-CG2 3.7Å; I118-I138 HydrophobicContact CG1-CB 4.06Å; I118-I138 HydrophobicContact CG1-CD1 4.23Å; I118-I138 HydrophobicContact CG1-CG2 3.74Å; Y121-I138 HydrophobicContact CD2-CD1 3.74Å; Y121-I138 HydrophobicContact CE2-CD1 3.74Å; K134-I138 VanDerWaalsContact O-CG1 3.29Å; K134-I138 WeakPolarHBondContact O-CG1 3.42Å; K134-I138 PolarHBondContact O-N 3.46Å; I135-I138 PolarHBondContact O-N 3.38Å; I138-K140 VanDerWaalsContact C-N 3.29Å; I138-K140 PolarHBondContact O-N 3.08Å; I138-L141 PolarHBondContact O-N 3.36Å; I138-Q142 WeakPolarHBondContact O-CB 3.31Å; I138-Q142 PolarHBondContact O-N 2.92Å
139H98.2Very high96.8Very high79 Ų7957.4 Ų57.437%0.36631%0.313SS..Hα-helixtrans-60.4-37.9173.9-73.5-53.6000112.7I135 S136 E137 Q142 N143I135-H139 PolarHBondContact O-CD2 3.36Å; I135-H139 VanDerWaalsContact O-CD2 3.28Å; I135-H139 PolarHBondContact O-N 3.1Å; S136-H139 PolarHBondContact O-N 2.63Å; E137-H139 VanDerWaalsContact C-N 3.35Å; E137-H139 PolarHBondContact O-N 3.48Å; H139-Q142 PolarHBondContact O-N 3.34Å; H139-N143 PolarHBondContact O-N 3.22Å; H139-N143 PolarHBondContact O-ND2 2.71Å
140K97.3Very high97.3Very high133 Ų13357.6 Ų57.658%0.57830%0.304SS*.Hα-helixtrans-64.9-45.1174.8-177.1-176.5175.3-173.40111.4S136 E137 I138 Q142 N143 Q144S136-K140 PolarHBondContact O-N 2.79Å; E137-K140 WeakPolarHBondContact O-CB 3.06Å; E137-K140 PolarHBondContact O-N 3.27Å; E137-K140 VanDerWaalsContact O-N 3.12Å; I138-K140 VanDerWaalsContact C-N 3.29Å; I138-K140 PolarHBondContact O-N 3.08Å; K140-Q142 VanDerWaalsContact C-N 3.3Å; K140-Q142 PolarHBondContact O-N 2.92Å; K140-N143 PolarHBondContact O-N 3.07Å; K140-Q144 WeakPolarHBondContact O-CG 3.35Å; K140-Q144 PolarHBondContact O-N 3.32Å
141L97.8Very high97.6Very high11 Ų1157.2 Ų57.26%0.05829%0.292CS..Hα-helixtrans-61-40.9175.9-65.6169.8000111L109 E137 I138 Q144 W145 L167 V171L109-L141 HydrophobicContact CD1-CD1 3.93Å; E137-L141 HydrophobicContact CG-CD1 4.45Å; E137-L141 WeakPolarHBondContact O-CG 3.03Å; E137-L141 PolarHBondContact O-N 2.95Å; I138-L141 PolarHBondContact O-N 3.36Å; L141-Q144 PolarHBondContact O-N 3.42Å; L141-W145 WeakPolarHBondContact O-CB 3.31Å; L141-W145 PolarHBondContact O-N 3.43Å; L141-L167 HydrophobicContact CB-CD2 3.99Å; L141-L167 HydrophobicContact CD2-CD2 3.81Å; L141-L167 WeakPolarHBondContact O-CD2 3.4Å; L141-V171 HydrophobicContact CD1-CG2 4.27Å
142Q97.6Very high97.7Very high54 Ų5459 Ų5925%0.25230%0.3SS..Hα-helixtrans-59.5-48.9176.2-174.7178.2-0.400111.8L114 I138 H139 K140 Q144 W145 E146L114-Q142 HydrophobicContact CD1-CB 3.79Å; L114-Q142 HydrophobicContact CD1-CG 4.28Å; I138-Q142 WeakPolarHBondContact O-CB 3.31Å; I138-Q142 PolarHBondContact O-N 2.92Å; H139-Q142 PolarHBondContact O-N 3.34Å; K140-Q142 VanDerWaalsContact C-N 3.3Å; K140-Q142 PolarHBondContact O-N 2.92Å; Q142-Q144 PolarHBondContact O-N 3.22Å; Q142-W145 PolarHBondContact O-N 3.36Å; Q142-E146 PolarHBondContact O-N 3.32Å
143N97.8Very high97.8Very high101 Ų10159.7 Ų59.754%0.5431%0.31SS..Hα-helixtrans-61.6-43.7177.4-69.7-26.3000111.9H139 K140 W145 E146 D147H139-N143 PolarHBondContact O-N 3.22Å; H139-N143 PolarHBondContact O-ND2 2.71Å; K140-N143 PolarHBondContact O-N 3.07Å; N143-W145 VanDerWaalsContact C-N 3.29Å; N143-W145 PolarHBondContact O-N 2.89Å; N143-E146 PolarHBondContact O-N 2.02Å; N143-D147 VanDerWaalsContact O-CG 3.3Å; N143-D147 PolarHBondContact O-N 2.88Å
144Q97.7Very high97.9Very high38 Ų3861.6 Ų61.618%0.17831%0.31CS..Hα-helixtrans-62.4-36.2177.1-75.1178.1-30.400112.5K140 L141 Q142 A148 L167K140-Q144 WeakPolarHBondContact O-CG 3.35Å; K140-Q144 PolarHBondContact O-N 3.32Å; L141-Q144 PolarHBondContact O-N 3.42Å; Q142-Q144 PolarHBondContact O-N 3.22Å; Q144-A148 WeakPolarHBondContact O-CB 3.43Å; Q144-A148 PolarHBondContact O-N 3.41Å; Q144-L167 HydrophobicContact CB-CD1 4.39Å; Q144-L167 HydrophobicContact CB-CD2 3.93Å; Q144-L167 HydrophobicContact CB-CG 4.29Å
145W98.2Very high98Very high13 Ų1361.3 Ų61.35%0.04932%0.318CS..Hα-helixtrans-69.3-42.4177.1-163.4-8.3000111.2L114 L141 Q142 N143 D147 A148 R149 L167 V171 A174 E176 L177L114-W145 HydrophobicContact CD1-CE3 3.97Å; L114-W145 HydrophobicContact CD1-CZ3 4.33Å; L114-W145 HydrophobicContact CG-CE3 4.5Å; L114-W145 HydrophobicContact CG-CZ3 4.36Å; L141-W145 WeakPolarHBondContact O-CB 3.31Å; L141-W145 PolarHBondContact O-N 3.43Å; Q142-W145 PolarHBondContact O-N 3.36Å; N143-W145 VanDerWaalsContact C-N 3.29Å; N143-W145 PolarHBondContact O-N 2.89Å; W145-D147 VanDerWaalsContact C-N 3.35Å; W145-D147 PolarHBondContact O-N 2.91Å; W145-A148 WeakPolarHBondContact O-CB 3.41Å; W145-A148 PolarHBondContact O-N 3.16Å; W145-R149 PolarHBondContact O-N 2.93Å; W145-L167 HydrophobicContact CB-CD1 3.89Å; W145-L167 HydrophobicContact CB-CD2 4.24Å; W145-L167 HydrophobicContact CG-CD1 4.23Å; W145-V171 HydrophobicContact CZ3-CG1 4.2Å; W145-A174 HydrophobicContact CH2-CB 3.91Å; W145-E176 HydrophobicContact CZ2-CB 4.02Å; W145-E176 HydrophobicContact CZ2-CG 4.32Å; W145-L177 HydrophobicContact CH2-CB 4.2Å; W145-L177 HydrophobicContact CZ2-CB 3.68Å
146E98.3Very high98Very high79 Ų7964 Ų6437%0.36933%0.33SS..Hα-helixtrans-63.5-40173.7-65.5-60.6173.900112.6Q142 N143 A148 R149 K150Q142-E146 PolarHBondContact O-N 3.32Å; N143-E146 PolarHBondContact O-N 2.02Å; E146-A148 VanDerWaalsContact C-N 3.33Å; E146-A148 PolarHBondContact O-N 3.47Å; E146-R149 WeakPolarHBondContact O-CB 3.38Å; E146-R149 PolarHBondContact O-N 3.17Å; E146-R149 IonicContact OE1-NH1 2.98Å; E146-R149 PolarHBondContact OE1-NH1 2.79Å; E146-R149 IonicContact OE2-CZ 3.14Å; E146-R149 IonicContact OE2-NH1 3.93Å; E146-R149 PolarHBondContact OE2-NH1 3.11Å; E146-K150 WeakPolarHBondContact O-CG 3.47Å; E146-K150 PolarHBondContact O-N 3.46Å
147D98.5Very high98.1Very high72 Ų7262.9 Ų62.939%0.38532%0.315SS..Hα-helixtrans-65-38.7175.7-69.3-20.2000111.4N143 W145 R149 K150 L151 L163N143-D147 VanDerWaalsContact O-CG 3.3Å; N143-D147 PolarHBondContact O-N 2.88Å; W145-D147 VanDerWaalsContact C-N 3.35Å; W145-D147 PolarHBondContact O-N 2.91Å; D147-R149 VanDerWaalsContact C-N 3.34Å; D147-R149 PolarHBondContact O-N 3.47Å; D147-K150 PolarHBondContact O-N 2.05Å; D147-K150 IonicContact OD1-NZ 3.07Å; D147-K150 PolarHBondContact OD1-NZ 2.82Å; D147-L151 VanDerWaalsContact O-CG 3.32Å; D147-L151 WeakPolarHBondContact O-CG 3.47Å; D147-L151 PolarHBondContact O-N 3.17Å; D147-L163 HydrophobicContact CB-CD1 3.86Å
148A98.5Very high98.2Very high0 Ų066.6 Ų66.60%033%0.325CS..Hα-helixtrans-61.9-39.7172.200000112.4Q144 W145 E146 F152 L163 L164Q144-A148 WeakPolarHBondContact O-CB 3.43Å; Q144-A148 PolarHBondContact O-N 3.41Å; W145-A148 WeakPolarHBondContact O-CB 3.41Å; W145-A148 PolarHBondContact O-N 3.16Å; E146-A148 VanDerWaalsContact C-N 3.33Å; E146-A148 PolarHBondContact O-N 3.47Å; A148-F152 WeakPolarHBondContact O-CB 3.18Å; A148-F152 PolarHBondContact O-N 3.11Å; A148-L163 HydrophobicContact CB-CB 4.03Å; A148-L163 HydrophobicContact CB-CD1 4.29Å; A148-L164 HydrophobicContact CB-CD2 4.03Å; A148-L164 HydrophobicContact CB-CG 3.99Å
149R98.5Very high98.2Very high72 Ų7271.3 Ų71.327%0.27235%0.347SS..Hα-helixtrans-63.9-40.4174.8-72.3-177.5-173.3133.5-1.2111.9W145 E146 D147 F152 A153 E176 L180W145-R149 PolarHBondContact O-N 2.93Å; E146-R149 WeakPolarHBondContact O-CB 3.38Å; E146-R149 PolarHBondContact O-N 3.17Å; E146-R149 IonicContact OE1-NH1 2.98Å; E146-R149 PolarHBondContact OE1-NH1 2.79Å; E146-R149 IonicContact OE2-CZ 3.14Å; E146-R149 IonicContact OE2-NH1 3.93Å; E146-R149 PolarHBondContact OE2-NH1 3.11Å; D147-R149 VanDerWaalsContact C-N 3.34Å; D147-R149 PolarHBondContact O-N 3.47Å; R149-F152 PolarHBondContact O-N 3.42Å; R149-A153 PolarHBondContact O-N 3.29Å; R149-E176 IonicContact CZ-OE1 3.87Å; R149-E176 IonicContact NE-OE1 2.76Å; R149-E176 PolarHBondContact NE-OE1 3.1Å; R149-E176 IonicContact NH2-OE1 2.77Å; R149-E176 PolarHBondContact NH2-OE1 3.45Å; R149-E176 IonicContact NH2-OE2 2.87Å; R149-E176 PolarHBondContact NH2-OE2 3.15Å; R149-L180 HydrophobicContact CG-CD2 3.84Å
150K98.6Very high98.2Very high123 Ų12367.6 Ų67.654%0.53533%0.33SS..Hα-helixtrans-65.2-47.4176.1-68.8170.8-166.2158.10112E146 D147 F152 A153 N154E146-K150 WeakPolarHBondContact O-CG 3.47Å; E146-K150 PolarHBondContact O-N 3.46Å; D147-K150 PolarHBondContact O-N 2.05Å; D147-K150 IonicContact OD1-NZ 3.07Å; D147-K150 PolarHBondContact OD1-NZ 2.82Å; K150-F152 VanDerWaalsContact C-N 3.29Å; K150-F152 PolarHBondContact O-N 3.25Å; K150-A153 WeakPolarHBondContact O-CB 3.35Å; K150-A153 PolarHBondContact O-N 2.89Å; K150-A153 VanDerWaalsContact O-N 3.12Å; K150-N154 PolarHBondContact O-N 3.35Å
151L98.7Very high98.2Very high33 Ų3361.9 Ų61.917%0.17331%0.306CS..Hα-helixtrans-57.5-45175.7-71.5166.8000110.8D147 A153 N154 S155 E156 E159 A160 L163D147-L151 VanDerWaalsContact O-CG 3.32Å; D147-L151 WeakPolarHBondContact O-CG 3.47Å; D147-L151 PolarHBondContact O-N 3.17Å; L151-A153 PolarHBondContact O-N 2.92Å; L151-N154 CarbonylContact O-C 3.41Å; L151-N154 PolarHBondContact O-N 3.13Å; L151-N154 VanDerWaalsContact O-N 3.15Å; L151-S155 PolarHBondContact O-N 2.91Å; L151-E156 HydrophobicContact CB-CB 4.1Å; L151-E156 HydrophobicContact CD2-CB 3.85Å; L151-E156 HydrophobicContact CD2-CG 4.4Å; L151-E156 WeakPolarHBondContact O-CA 3.26Å; L151-E156 WeakPolarHBondContact O-CB 3.25Å; L151-E156 PolarHBondContact O-N 3.17Å; L151-E159 HydrophobicContact CD1-CB 3.84Å; L151-E159 HydrophobicContact CD2-CB 4.01Å; L151-E159 HydrophobicContact CG-CB 4.44Å; L151-A160 HydrophobicContact CB-CB 3.87Å; L151-L163 HydrophobicContact CD1-CD1 3.69Å; L151-L163 HydrophobicContact CD1-CG 4.38Å
152F98.3Very high98.2Very high37 Ų3765 Ų6516%0.16233%0.325CS..Hα-helixtrans-58.4-46.1174.2-179.1-91.4000112.5A148 R149 K150 N154 S155 Y157 A160 L180 R183 C184A148-F152 WeakPolarHBondContact O-CB 3.18Å; A148-F152 PolarHBondContact O-N 3.11Å; R149-F152 PolarHBondContact O-N 3.42Å; K150-F152 VanDerWaalsContact C-N 3.29Å; K150-F152 PolarHBondContact O-N 3.25Å; F152-N154 PolarHBondContact O-N 3.16Å; F152-S155 PolarHBondContact O-N 3.45Å; F152-Y157 AromaticContact CD2-CD1 3.77Å; F152-Y157 HydrophobicContact CD2-CD1 3.77Å; F152-Y157 AromaticContact CD2-CE1 3.85Å; F152-Y157 HydrophobicContact CD2-CE1 3.85Å; F152-Y157 AromaticContact CE2-CD1 3.95Å; F152-Y157 HydrophobicContact CE2-CD1 3.95Å; F152-Y157 AromaticContact CE2-CE1 3.75Å; F152-Y157 HydrophobicContact CE2-CE1 3.75Å; F152-Y157 HydrophobicContact CZ-CE1 4.37Å; F152-A160 HydrophobicContact CB-CB 4.5Å; F152-L180 HydrophobicContact CB-CD1 3.82Å; F152-L180 HydrophobicContact CD1-CD1 3.81Å; F152-L180 HydrophobicContact CD2-CD1 3.72Å; F152-L180 HydrophobicContact CE1-CD1 4.35Å; F152-L180 HydrophobicContact CE2-CD1 4.25Å; F152-L180 HydrophobicContact CG-CD1 3.47Å; F152-L180 VanDerWaalsContact CG-CD1 3.47Å; F152-R183 VanDerWaalsContact CE1-NH1 3.33Å; F152-R183 HydrophobicContact CE2-CB 3.59Å; F152-R183 HydrophobicContact CZ-CB 3.69Å; F152-C184 VanDerWaalsContact CD2-SG 3.55Å
153A97.9Very high98.3Very high77 Ų7764.1 Ų64.164%0.63632%0.322SS*.Hα-helixtrans-62-30177.700000112.9R149 K150 L151 S155R149-A153 PolarHBondContact O-N 3.29Å; K150-A153 WeakPolarHBondContact O-CB 3.35Å; K150-A153 PolarHBondContact O-N 2.89Å; K150-A153 VanDerWaalsContact O-N 3.12Å; L151-A153 PolarHBondContact O-N 2.92Å; A153-S155 VanDerWaalsContact C-N 3.29Å; A153-S155 PolarHBondContact O-N 2.79Å
154N98.2Very high98.3Very high109 Ų10959.3 Ų59.358%0.58330%0.296SS*.THydrogen-bonded Turntrans-84.35.1174.6-67.4-12.9000114K150 L151 F152 E156K150-N154 PolarHBondContact O-N 3.35Å; L151-N154 CarbonylContact O-C 3.41Å; L151-N154 PolarHBondContact O-N 3.13Å; L151-N154 VanDerWaalsContact O-N 3.15Å; F152-N154 PolarHBondContact O-N 3.16Å; N154-E156 HydrophobicContact CB-CG 4.07Å; N154-E156 WeakPolarHBondContact CB-OE1 3.27Å; N154-E156 PolarHBondContact ND2-OE1 2.81Å; N154-E156 VanDerWaalsContact ND2-OE1 3.12Å; N154-E156 PolarHBondContact O-N 3.49Å
155S98.1Very high98.2Very high72 Ų7260.7 Ų60.750%0.50331%0.305SS..THydrogen-bonded Turntrans63.719.3-173.6-530000115.2L151 F152 A153 Y157L151-S155 PolarHBondContact O-N 2.91Å; F152-S155 PolarHBondContact O-N 3.45Å; A153-S155 VanDerWaalsContact C-N 3.29Å; A153-S155 PolarHBondContact O-N 2.79Å; S155-Y157 VanDerWaalsContact C-N 3.25Å; S155-Y157 VanDerWaalsContact O-CD2 3.24Å; S155-Y157 WeakPolarHBondContact O-CD2 3.34Å; S155-Y157 WeakPolarHBondContact O-CE2 3.4Å; S155-Y157 PolarHBondContact O-N 3.43Å; S155-Y157 VanDerWaalsContact O-N 3.08Å; S155-Y157 PolarHBondContact OG-OH 3.18Å
156E98.4Very high98.1Very high73 Ų7365.3 Ų65.334%0.34133%0.326SS..  trans-85.661.7176.2-65.3176.5-10000110.1L151 N154 R158 E159 A160L151-E156 HydrophobicContact CB-CB 4.1Å; L151-E156 HydrophobicContact CD2-CB 3.85Å; L151-E156 HydrophobicContact CD2-CG 4.4Å; L151-E156 WeakPolarHBondContact O-CA 3.26Å; L151-E156 WeakPolarHBondContact O-CB 3.25Å; L151-E156 PolarHBondContact O-N 3.17Å; N154-E156 HydrophobicContact CB-CG 4.07Å; N154-E156 WeakPolarHBondContact CB-OE1 3.27Å; N154-E156 PolarHBondContact ND2-OE1 2.81Å; N154-E156 VanDerWaalsContact ND2-OE1 3.12Å; N154-E156 PolarHBondContact O-N 3.49Å; E156-R158 PolarHBondContact O-N 3.4Å; E156-E159 WeakPolarHBondContact CB-OE2 3.33Å; E156-E159 PolarHBondContact O-N 3.3Å; E156-A160 WeakPolarHBondContact O-CB 3.25Å; E156-A160 PolarHBondContact O-N 3.11Å
157Y98.4Very high98.1Very high51 Ų5161.6 Ų61.620%0.231%0.308CS..Hα-helixtrans-67.7-31.4-167.5-53.4-62.2000114.2F152 S155 L161 S187F152-Y157 AromaticContact CD2-CD1 3.77Å; F152-Y157 HydrophobicContact CD2-CD1 3.77Å; F152-Y157 AromaticContact CD2-CE1 3.85Å; F152-Y157 HydrophobicContact CD2-CE1 3.85Å; F152-Y157 AromaticContact CE2-CD1 3.95Å; F152-Y157 HydrophobicContact CE2-CD1 3.95Å; F152-Y157 AromaticContact CE2-CE1 3.75Å; F152-Y157 HydrophobicContact CE2-CE1 3.75Å; F152-Y157 HydrophobicContact CZ-CE1 4.37Å; S155-Y157 VanDerWaalsContact C-N 3.25Å; S155-Y157 VanDerWaalsContact O-CD2 3.24Å; S155-Y157 WeakPolarHBondContact O-CD2 3.34Å; S155-Y157 WeakPolarHBondContact O-CE2 3.4Å; S155-Y157 PolarHBondContact O-N 3.43Å; S155-Y157 VanDerWaalsContact O-N 3.08Å; S155-Y157 PolarHBondContact OG-OH 3.18Å; Y157-L161 WeakPolarHBondContact O-CG 3.35Å; Y157-L161 PolarHBondContact O-N 3.21Å; Y157-S187 VanDerWaalsContact CD2-CB 3.49Å; Y157-S187 WeakPolarHBondContact CE1-OG 3.41Å
158R98.4Very high97.9Very high172 Ų17259.2 Ų59.265%0.64930%0.296SS*.Hα-helixtrans-73.1-43-179.8-65.8-172.4-177.6-81.4-1.3111.1E156 L161 T162 L188E156-R158 PolarHBondContact O-N 3.4Å; R158-L161 PolarHBondContact O-N 3.34Å; R158-T162 PolarHBondContact O-N 3.18Å; R158-T162 VanDerWaalsContact O-N 3.15Å; R158-T162 PolarHBondContact O-OG1 3.19Å; R158-L188 HydrophobicContact CG-CD1 3.99Å; R158-L188 HydrophobicContact CG-CD2 3.78Å
159E98.3Very high97.8Very high99 Ų9966.5 Ų66.546%0.46333%0.33SS..Hα-helixtrans-64.4-42.9173.2-64.686.4-176.900110.8L151 E156 L161 T162 L163L151-E159 HydrophobicContact CD1-CB 3.84Å; L151-E159 HydrophobicContact CD2-CB 4.01Å; L151-E159 HydrophobicContact CG-CB 4.44Å; E156-E159 WeakPolarHBondContact CB-OE2 3.33Å; E156-E159 PolarHBondContact O-N 3.3Å; E159-L161 PolarHBondContact O-N 3.03Å; E159-T162 WeakPolarHBondContact O-CB 3.42Å; E159-T162 PolarHBondContact O-N 3Å; E159-T162 VanDerWaalsContact O-N 3.13Å; E159-L163 PolarHBondContact O-N 3.2Å
160A98.6Very high97.6Very high0 Ų064.5 Ų64.50%033%0.327CS..Hα-helixtrans-56.9-47.9176.100000111.7L151 F152 E156 T162 L163 L164L151-A160 HydrophobicContact CB-CB 3.87Å; F152-A160 HydrophobicContact CB-CB 4.5Å; E156-A160 WeakPolarHBondContact O-CB 3.25Å; E156-A160 PolarHBondContact O-N 3.11Å; A160-T162 VanDerWaalsContact C-N 3.29Å; A160-T162 PolarHBondContact O-N 3.17Å; A160-L163 PolarHBondContact O-N 3.39Å; A160-L164 WeakPolarHBondContact O-CD1 3.38Å; A160-L164 VanDerWaalsContact O-CG 3.24Å; A160-L164 WeakPolarHBondContact O-CG 3.49Å; A160-L164 PolarHBondContact O-N 2.99Å
161L98.3Very high97.5Very high13 Ų1358.7 Ų58.77%0.06830%0.302CS..Hα-helixtrans-59.3-37.9176.1-81.1171.5000112.9Y157 R158 E159 L163 L164 D165 R181 C184 Y185 L188Y157-L161 WeakPolarHBondContact O-CG 3.35Å; Y157-L161 PolarHBondContact O-N 3.21Å; R158-L161 PolarHBondContact O-N 3.34Å; E159-L161 PolarHBondContact O-N 3.03Å; L161-L163 VanDerWaalsContact C-N 3.28Å; L161-L163 PolarHBondContact O-N 3.4Å; L161-L164 CarbonylContact O-C 3.57Å; L161-L164 PolarHBondContact O-N 2.78Å; L161-L164 VanDerWaalsContact O-N 3.14Å; L161-D165 WeakPolarHBondContact O-CB 3.23Å; L161-D165 VanDerWaalsContact O-CG 3.26Å; L161-D165 PolarHBondContact O-N 2.92Å; L161-R181 HydrophobicContact CD2-CB 4.4Å; L161-R181 HydrophobicContact CD2-CG 4.49Å; L161-C184 HydrophobicContact CD1-CB 3.91Å; L161-C184 HydrophobicContact CD2-CB 3.71Å; L161-C184 HydrophobicContact CG-CB 3.5Å; L161-Y185 HydrophobicContact CD1-CD1 3.82Å; L161-Y185 HydrophobicContact CD1-CE1 3.67Å; L161-Y185 HydrophobicContact CD1-CG 4.38Å; L161-Y185 HydrophobicContact CD2-CD2 4.23Å; L161-Y185 HydrophobicContact CD2-CE1 4.24Å; L161-Y185 HydrophobicContact CD2-CE2 3.9Å; L161-L188 HydrophobicContact CD1-CD1 3.55Å
162T98.1Very high97.2Very high77 Ų7758.6 Ų58.647%0.47230%0.302SS..Hα-helixtrans-62.3-36.5178.9-57.50000112.1R158 E159 A160R158-T162 PolarHBondContact O-N 3.18Å; R158-T162 VanDerWaalsContact O-N 3.15Å; R158-T162 PolarHBondContact O-OG1 3.19Å; E159-T162 WeakPolarHBondContact O-CB 3.42Å; E159-T162 PolarHBondContact O-N 3Å; E159-T162 VanDerWaalsContact O-N 3.13Å; A160-T162 VanDerWaalsContact C-N 3.29Å; A160-T162 PolarHBondContact O-N 3.17Å
163L98Very high96.9Very high35 Ų3558.6 Ų58.618%0.18330%0.301CS..Hα-helixtrans-73.1-42.8172.7-64.9-174.5000111.3D147 A148 L151 E159 A160 L161 D165 K166 L167D147-L163 HydrophobicContact CB-CD1 3.86Å; A148-L163 HydrophobicContact CB-CB 4.03Å; A148-L163 HydrophobicContact CB-CD1 4.29Å; L151-L163 HydrophobicContact CD1-CD1 3.69Å; L151-L163 HydrophobicContact CD1-CG 4.38Å; E159-L163 PolarHBondContact O-N 3.2Å; A160-L163 PolarHBondContact O-N 3.39Å; L161-L163 VanDerWaalsContact C-N 3.28Å; L161-L163 PolarHBondContact O-N 3.4Å; L163-D165 VanDerWaalsContact C-N 3.31Å; L163-D165 PolarHBondContact O-N 2.88Å; L163-K166 PolarHBondContact O-N 3.19Å; L163-K166 VanDerWaalsContact O-N 3.14Å; L163-L167 WeakPolarHBondContact O-CG 3.33Å; L163-L167 PolarHBondContact O-N 2.94Å
164L98.1Very high96.6Very high0 Ų055.1 Ų55.10%027%0.272CS..Hα-helixtrans-65.5-31.2-179.7-66.5163.4000113.5A148 A160 L161 K166 L167 V168 L177 L180 R181A148-L164 HydrophobicContact CB-CD2 4.03Å; A148-L164 HydrophobicContact CB-CG 3.99Å; A160-L164 WeakPolarHBondContact O-CD1 3.38Å; A160-L164 VanDerWaalsContact O-CG 3.24Å; A160-L164 WeakPolarHBondContact O-CG 3.49Å; A160-L164 PolarHBondContact O-N 2.99Å; L161-L164 CarbonylContact O-C 3.57Å; L161-L164 PolarHBondContact O-N 2.78Å; L161-L164 VanDerWaalsContact O-N 3.14Å; L164-K166 VanDerWaalsContact C-N 3.29Å; L164-L167 HydrophobicContact CD2-CD1 4.07Å; L164-L167 PolarHBondContact O-N 3.47Å; L164-V168 WeakPolarHBondContact O-CB 3.34Å; L164-V168 PolarHBondContact O-N 2.77Å; L164-L177 HydrophobicContact CD2-CG 4.08Å; L164-L180 HydrophobicContact CD1-CB 4.44Å; L164-L180 HydrophobicContact CD1-CD2 4.24Å; L164-L180 HydrophobicContact CD1-CG 3.97Å; L164-L180 HydrophobicContact CD2-CD2 3.96Å; L164-L180 HydrophobicContact CD2-CG 4.39Å; L164-R181 HydrophobicContact CB-CG 3.6Å; L164-R181 HydrophobicContact CD1-CG 3.9Å; L164-R181 HydrophobicContact CD2-CG 4.34Å; L164-R181 HydrophobicContact CG-CG 4.15Å; L164-R181 PolarHBondContact O-NH1 2.87Å; L164-R181 VanDerWaalsContact O-NH1 3.1Å
165D96.3Very high96.1Very high67 Ų6752.6 Ų52.636%0.35826%0.257SS..Hα-helixtrans-66.1-30.9173.8-75.9-23.6000112.3L161 L163 V168 R181L161-D165 WeakPolarHBondContact O-CB 3.23Å; L161-D165 VanDerWaalsContact O-CG 3.26Å; L161-D165 PolarHBondContact O-N 2.92Å; L163-D165 VanDerWaalsContact C-N 3.31Å; L163-D165 PolarHBondContact O-N 2.88Å; D165-V168 WeakPolarHBondContact O-CG1 3.23Å; D165-R181 VanDerWaalsContact CA-NH1 3.32Å; D165-R181 IonicContact OD1-CZ 3.86Å; D165-R181 VanDerWaalsContact OD1-CZ 3.29Å; D165-R181 IonicContact OD1-NH1 2.81Å; D165-R181 PolarHBondContact OD1-NH1 3.35Å; D165-R181 IonicContact OD1-NH2 3.16Å; D165-R181 PolarHBondContact OD1-NH2 3.33Å; D165-R181 VanDerWaalsContact OD1-NH2 3.07Å
166K96Very high95.7Very high111 Ų11153.4 Ų53.448%0.48325%0.253SS..Hα-helixtrans-79.7-40.4172.9-63.4175.4-174.5173.90111.4L163 L164 V168 E169L163-K166 PolarHBondContact O-N 3.19Å; L163-K166 VanDerWaalsContact O-N 3.14Å; L164-K166 VanDerWaalsContact C-N 3.29Å; K166-V168 VanDerWaalsContact C-N 3.3Å; K166-V168 PolarHBondContact O-N 3.31Å; K166-E169 PolarHBondContact O-N 3Å
167L97.3Very high95.5Very high0 Ų050 Ų500%024%0.236CC..Hα-helixtrans-62.1-39-179.7-71.9163000111.9L141 Q144 W145 L163 L164 E169 S170 V171 L177L141-L167 HydrophobicContact CB-CD2 3.99Å; L141-L167 HydrophobicContact CD2-CD2 3.81Å; L141-L167 WeakPolarHBondContact O-CD2 3.4Å; Q144-L167 HydrophobicContact CB-CD1 4.39Å; Q144-L167 HydrophobicContact CB-CD2 3.93Å; Q144-L167 HydrophobicContact CB-CG 4.29Å; W145-L167 HydrophobicContact CB-CD1 3.89Å; W145-L167 HydrophobicContact CB-CD2 4.24Å; W145-L167 HydrophobicContact CG-CD1 4.23Å; L163-L167 WeakPolarHBondContact O-CG 3.33Å; L163-L167 PolarHBondContact O-N 2.94Å; L164-L167 HydrophobicContact CD2-CD1 4.07Å; L164-L167 PolarHBondContact O-N 3.47Å; L167-E169 PolarHBondContact O-N 3.39Å; L167-S170 PolarHBondContact O-N 3.07Å; L167-S170 VanDerWaalsContact O-N 3.16Å; L167-V171 WeakPolarHBondContact O-CB 3.32Å; L167-V171 PolarHBondContact O-N 2.95Å; L167-L177 HydrophobicContact CB-CD1 3.65Å
168V95.4Very high95.2Very high22 Ų2248.7 Ų48.713%0.13323%0.231CC..Hα-helixtrans-66.5-18.8-176.7850000113.6L164 D165 K166 S170 D172 L177L164-V168 WeakPolarHBondContact O-CB 3.34Å; L164-V168 PolarHBondContact O-N 2.77Å; D165-V168 WeakPolarHBondContact O-CG1 3.23Å; K166-V168 VanDerWaalsContact C-N 3.3Å; K166-V168 PolarHBondContact O-N 3.31Å; V168-S170 VanDerWaalsContact C-N 3.29Å; V168-S170 PolarHBondContact O-N 3.38Å; V168-D172 HydrophobicContact CG2-CB 4.42Å; V168-D172 WeakPolarHBondContact O-CA 3.21Å; V168-D172 WeakPolarHBondContact O-CB 3.33Å; V168-L177 HydrophobicContact CB-CD2 4.12Å; V168-L177 HydrophobicContact CG2-CD2 4.02Å
169E95Very high94.9Very high153 Ų15342.4 Ų42.472%0.71521%0.209SC*.Hα-helixtrans-65.9-34.7175.3-63178-175.600111.6K166 L167K166-E169 PolarHBondContact O-N 3Å; L167-E169 PolarHBondContact O-N 3.39Å
170S95.6Very high94.7Very high31 Ų3137.9 Ų37.922%0.21719%0.188CC..Hα-helixtrans-107.5-20.6-178.4-62.80000113.6R110 L167 V168R110-S170 WeakPolarHBondContact CD-O 3.24Å; L167-S170 PolarHBondContact O-N 3.07Å; L167-S170 VanDerWaalsContact O-N 3.16Å; V168-S170 VanDerWaalsContact C-N 3.29Å; V168-S170 PolarHBondContact O-N 3.38Å
171V95.7Very high94.6Very high0 Ų038.5 Ų38.50%019%0.19CC..  trans-129.562.7-174.3-169.50000109.1L109 R110 L114 L141 W145 L167 A174 L177L109-V171 HydrophobicContact CD1-CG2 3.99Å; R110-V171 CarbonylContact O-C 3.32Å; L114-V171 HydrophobicContact CD2-CG2 4.29Å; L141-V171 HydrophobicContact CD1-CG2 4.27Å; W145-V171 HydrophobicContact CZ3-CG1 4.2Å; L167-V171 WeakPolarHBondContact O-CB 3.32Å; L167-V171 PolarHBondContact O-N 2.95Å; V171-A174 HydrophobicContact CG1-CB 3.55Å; V171-L177 HydrophobicContact CB-CD1 3.95Å; V171-L177 HydrophobicContact CG1-CD1 3.99Å
172D92.6Very high94.3Very high31 Ų3137.9 Ų37.917%0.16619%0.187CC..THydrogen-bonded Turntrans-89.1-13.1-170.181.3-27000114.6R110 V168 R178 F200R110-D172 IonicContact CZ-OD1 2.72Å; R110-D172 IonicContact CZ-OD2 3.67Å; R110-D172 VanDerWaalsContact CZ-OD2 3.31Å; R110-D172 VanDerWaalsContact NE-CG 3.32Å; R110-D172 IonicContact NE-OD1 3.76Å; R110-D172 PolarHBondContact NE-OD1 3.13Å; R110-D172 IonicContact NE-OD2 3.47Å; R110-D172 IonicContact NH2-OD1 3.37Å; R110-D172 PolarHBondContact NH2-OD1 3.39Å; R110-D172 IonicContact NH2-OD2 2.87Å; R110-D172 PolarHBondContact NH2-OD2 3.42Å; R110-D172 PolarHBondContact O-N 3.11Å; V168-D172 HydrophobicContact CG2-CB 4.42Å; V168-D172 WeakPolarHBondContact O-CA 3.21Å; V168-D172 WeakPolarHBondContact O-CB 3.33Å; D172-R178 PolarHBondContact O-NE 2.77Å; D172-R178 VanDerWaalsContact O-NE 3.13Å; D172-R178 PolarHBondContact O-NH2 3.37Å; D172-F200 VanDerWaalsContact O-CE1 3.31Å; D172-F200 WeakPolarHBondContact O-CE1 3.46Å
173Y92.2Very high94.1Very high38 Ų3838.3 Ų38.315%0.14918%0.18CC..THydrogen-bonded Turntrans-111.217.1-176.2-149.7-83.2000111.3S78 C80 R110 M111 L204S78-Y173 WeakPolarHBondContact O-CE2 3.39Å; C80-Y173 HydrophobicContact CB-CD1 3.79Å; C80-Y173 HydrophobicContact CB-CD2 3.96Å; C80-Y173 HydrophobicContact CB-CE1 4.13Å; C80-Y173 HydrophobicContact CB-CE2 4.26Å; C80-Y173 HydrophobicContact CB-CG 3.74Å; R110-Y173 CarbonylContact O-C 3.41Å; R110-Y173 WeakPolarHBondContact O-CA 3.4Å; R110-Y173 WeakPolarHBondContact O-CB 3.29Å; R110-Y173 PolarHBondContact O-N 3.04Å; M111-Y173 HydrophobicContact CG-CD1 3.93Å; M111-Y173 HydrophobicContact CG-CG 4.46Å; Y173-L204 HydrophobicContact CD1-CB 4.16Å; Y173-L204 HydrophobicContact CD1-CD1 4.35Å; Y173-L204 HydrophobicContact CD1-CD2 4.07Å; Y173-L204 HydrophobicContact CD1-CG 4.4Å; Y173-L204 HydrophobicContact CD2-CD2 3.61Å; Y173-L204 HydrophobicContact CE1-CB 3.69Å; Y173-L204 HydrophobicContact CE1-CD2 3.9Å; Y173-L204 HydrophobicContact CE1-CG 4.26Å; Y173-L204 HydrophobicContact CE2-CD2 3.45Å; Y173-L204 VanDerWaalsContact CE2-CD2 3.45Å; Y173-L204 HydrophobicContact CG-CD1 4.43Å; Y173-L204 HydrophobicContact CG-CD2 3.9Å; Y173-L204 PolarHBondContact OH-O 2.99Å
174A92.2Very high94.1Very high3 Ų336.6 Ų36.63%0.02517%0.171CC..  trans-90.5114.3175.300000111.4R110 W145 V171 E176 L177 R178R110-A174 PolarHBondContact O-N 3.4Å; W145-A174 HydrophobicContact CH2-CB 3.91Å; V171-A174 HydrophobicContact CG1-CB 3.55Å; A174-E176 PolarHBondContact O-N 3.08Å; A174-L177 HydrophobicContact CB-CB 3.87Å; A174-L177 PolarHBondContact O-N 3.31Å; A174-R178 WeakPolarHBondContact O-CG 3.36Å; A174-R178 PolarHBondContact O-N 3.49Å; A174-R178 VanDerWaalsContact O-N 3.12Å
175E87.7Confident94Very high56 Ų5638.1 Ų38.126%0.26218%0.177SC..Hα-helixtrans-56.5-47.9178.6-179.5177.4177.500112L177 R178 E179 N208 R214E175-L177 VanDerWaalsContact C-N 3.31Å; E175-L177 PolarHBondContact O-N 2.72Å; E175-R178 WeakPolarHBondContact O-CB 3.43Å; E175-R178 PolarHBondContact O-N 2.95Å; E175-E179 WeakPolarHBondContact O-CB 3.39Å; E175-E179 PolarHBondContact O-N 2.91Å; E175-N208 PolarHBondContact OE1-ND2 2.87Å; E175-R214 IonicContact OE1-NH2 3.53Å; E175-R214 PolarHBondContact OE1-NH2 3.08Å
176E89.6Confident93.9Very high90 Ų9036.9 Ų36.942%0.42117%0.171SC..Hα-helixtrans-62.4-37.5-178-170.2-158.7157.100112.4W145 R149 A174 E179 L180W145-E176 HydrophobicContact CZ2-CB 4.02Å; W145-E176 HydrophobicContact CZ2-CG 4.32Å; R149-E176 IonicContact CZ-OE1 3.87Å; R149-E176 IonicContact NE-OE1 2.76Å; R149-E176 PolarHBondContact NE-OE1 3.1Å; R149-E176 IonicContact NH2-OE1 2.77Å; R149-E176 PolarHBondContact NH2-OE1 3.45Å; R149-E176 IonicContact NH2-OE2 2.87Å; R149-E176 PolarHBondContact NH2-OE2 3.15Å; A174-E176 PolarHBondContact O-N 3.08Å; E176-E179 PolarHBondContact O-N 3.46Å; E176-L180 WeakPolarHBondContact O-CB 3.42Å; E176-L180 PolarHBondContact O-N 2.91Å
177L94Very high93.8Very high0 Ų034.3 Ų34.30%017%0.167CC..Hα-helixtrans-66.1-44.8176.9-175.7154.5000110.7W145 L164 L167 V168 V171 A174 E175 E179 L180 R181W145-L177 HydrophobicContact CH2-CB 4.2Å; W145-L177 HydrophobicContact CZ2-CB 3.68Å; L164-L177 HydrophobicContact CD2-CG 4.08Å; L167-L177 HydrophobicContact CB-CD1 3.65Å; V168-L177 HydrophobicContact CB-CD2 4.12Å; V168-L177 HydrophobicContact CG2-CD2 4.02Å; V171-L177 HydrophobicContact CB-CD1 3.95Å; V171-L177 HydrophobicContact CG1-CD1 3.99Å; A174-L177 HydrophobicContact CB-CB 3.87Å; A174-L177 PolarHBondContact O-N 3.31Å; E175-L177 VanDerWaalsContact C-N 3.31Å; E175-L177 PolarHBondContact O-N 2.72Å; L177-E179 VanDerWaalsContact C-N 3.32Å; L177-L180 PolarHBondContact O-N 2.97Å; L177-R181 VanDerWaalsContact CD2-CD 3.49Å; L177-R181 HydrophobicContact CD2-CG 4.24Å; L177-R181 WeakPolarHBondContact O-CG 3.41Å; L177-R181 PolarHBondContact O-N 3.23Å
178R93Very high93.8Very high24 Ų2437 Ų379%0.09118%0.18CC..Hα-helixtrans-61.4-42.3176.1-67-74177.8-161.9-1111.3D172 A174 E175 R181 A182 E197 F200 L204D172-R178 PolarHBondContact O-NE 2.77Å; D172-R178 VanDerWaalsContact O-NE 3.13Å; D172-R178 PolarHBondContact O-NH2 3.37Å; A174-R178 WeakPolarHBondContact O-CG 3.36Å; A174-R178 PolarHBondContact O-N 3.49Å; A174-R178 VanDerWaalsContact O-N 3.12Å; E175-R178 WeakPolarHBondContact O-CB 3.43Å; E175-R178 PolarHBondContact O-N 2.95Å; R178-R181 WeakPolarHBondContact O-CB 3.28Å; R178-R181 PolarHBondContact O-N 3.32Å; R178-A182 WeakPolarHBondContact O-CB 3.5Å; R178-A182 PolarHBondContact O-N 3.42Å; R178-E197 VanDerWaalsContact CD-OE2 3.31Å; R178-E197 WeakPolarHBondContact CD-OE2 3.44Å; R178-E197 IonicContact CZ-OE2 3.96Å; R178-E197 IonicContact NH1-OE1 3.98Å; R178-E197 IonicContact NH1-OE2 3.34Å; R178-E197 PolarHBondContact NH1-OE2 3.31Å; R178-F200 HydrophobicContact CG-CD1 3.98Å; R178-L204 HydrophobicContact CG-CD1 4.39Å
179E90.1Very high93.6Very high40 Ų4038.7 Ų38.719%0.18720%0.202CC..Hα-helixtrans-64.4-41.7176.5-178.6171.914600111.9E175 E176 L177 A182 R183 M198 R214E175-E179 WeakPolarHBondContact O-CB 3.39Å; E175-E179 PolarHBondContact O-N 2.91Å; E176-E179 PolarHBondContact O-N 3.46Å; L177-E179 VanDerWaalsContact C-N 3.32Å; E179-A182 WeakPolarHBondContact O-CB 3.47Å; E179-A182 PolarHBondContact O-N 2.92Å; E179-R183 WeakPolarHBondContact O-CG 3.33Å; E179-R183 PolarHBondContact O-N 3.4Å; E179-R183 IonicContact OE1-NE 2.79Å; E179-M198 HydrophobicContact CB-SD 4.26Å; E179-M198 HydrophobicContact CG-CE 4.17Å; E179-M198 HydrophobicContact CG-SD 4.03Å; E179-R214 IonicContact OE1-NE 3.23Å; E179-R214 IonicContact OE2-CZ 3.14Å; E179-R214 VanDerWaalsContact OE2-CZ 3.24Å; E179-R214 IonicContact OE2-NE 2.77Å; E179-R214 PolarHBondContact OE2-NE 2.95Å; E179-R214 IonicContact OE2-NH2 3.56Å; E179-R214 PolarHBondContact OE2-NH2 3.39Å
180L94.8Very high93.6Very high4 Ų433.7 Ų33.72%0.02118%0.181CC..Hα-helixtrans-63.4-41.7176.2-170.661000111.5R149 F152 L164 E176 L177 R183 C184R149-L180 HydrophobicContact CG-CD2 3.84Å; F152-L180 HydrophobicContact CB-CD1 3.82Å; F152-L180 HydrophobicContact CD1-CD1 3.81Å; F152-L180 HydrophobicContact CD2-CD1 3.72Å; F152-L180 HydrophobicContact CE1-CD1 4.35Å; F152-L180 HydrophobicContact CE2-CD1 4.25Å; F152-L180 HydrophobicContact CG-CD1 3.47Å; F152-L180 VanDerWaalsContact CG-CD1 3.47Å; L164-L180 HydrophobicContact CD1-CB 4.44Å; L164-L180 HydrophobicContact CD1-CD2 4.24Å; L164-L180 HydrophobicContact CD1-CG 3.97Å; L164-L180 HydrophobicContact CD2-CD2 3.96Å; L164-L180 HydrophobicContact CD2-CG 4.39Å; E176-L180 WeakPolarHBondContact O-CB 3.42Å; E176-L180 PolarHBondContact O-N 2.91Å; L177-L180 PolarHBondContact O-N 2.97Å; L180-R183 PolarHBondContact O-N 3.09Å; L180-C184 PolarHBondContact O-N 3.4Å; L180-C184 PolarHBondContact O-SG 3.48Å
181R96.1Very high93.4Very high13 Ų1334.1 Ų34.15%0.04918%0.182CC..Hα-helixtrans-59.5-49172.1-72.2168.764.88712.5111.6L161 L164 D165 L177 R178 R183 C184 Y185 E197L161-R181 HydrophobicContact CD2-CB 4.4Å; L161-R181 HydrophobicContact CD2-CG 4.49Å; L164-R181 HydrophobicContact CB-CG 3.6Å; L164-R181 HydrophobicContact CD1-CG 3.9Å; L164-R181 HydrophobicContact CD2-CG 4.34Å; L164-R181 HydrophobicContact CG-CG 4.15Å; L164-R181 PolarHBondContact O-NH1 2.87Å; L164-R181 VanDerWaalsContact O-NH1 3.1Å; D165-R181 VanDerWaalsContact CA-NH1 3.32Å; D165-R181 IonicContact OD1-CZ 3.86Å; D165-R181 VanDerWaalsContact OD1-CZ 3.29Å; D165-R181 IonicContact OD1-NH1 2.81Å; D165-R181 PolarHBondContact OD1-NH1 3.35Å; D165-R181 IonicContact OD1-NH2 3.16Å; D165-R181 PolarHBondContact OD1-NH2 3.33Å; D165-R181 VanDerWaalsContact OD1-NH2 3.07Å; L177-R181 VanDerWaalsContact CD2-CD 3.49Å; L177-R181 HydrophobicContact CD2-CG 4.24Å; L177-R181 WeakPolarHBondContact O-CG 3.41Å; L177-R181 PolarHBondContact O-N 3.23Å; R178-R181 WeakPolarHBondContact O-CB 3.28Å; R178-R181 PolarHBondContact O-N 3.32Å; R181-R183 VanDerWaalsContact C-N 3.33Å; R181-R183 PolarHBondContact O-N 2.89Å; R181-C184 WeakPolarHBondContact O-CB 3.41Å; R181-C184 PolarHBondContact O-N 3.39Å; R181-C184 VanDerWaalsContact O-N 3.15Å; R181-Y185 WeakPolarHBondContact O-CD2 3.34Å; R181-Y185 PolarHBondContact O-N 3.42Å; R181-E197 HydrophobicContact CB-CG 4.29Å; R181-E197 IonicContact CZ-OE1 3.77Å; R181-E197 VanDerWaalsContact NE-CD 3.31Å; R181-E197 IonicContact NE-OE1 2.73Å; R181-E197 PolarHBondContact NE-OE1 3.34Å; R181-E197 VanDerWaalsContact NE-OE1 3.14Å; R181-E197 IonicContact NE-OE2 2.7Å; R181-E197 PolarHBondContact NE-OE2 3.33Å; R181-E197 VanDerWaalsContact NE-OE2 3.14Å; R181-E197 IonicContact NH2-OE1 3.66Å; R181-E197 PolarHBondContact NH2-OE1 3.12Å
182A93.6Very high93.3Very high0 Ų039.9 Ų39.90%021%0.209CC..Hα-helixtrans-55.5-48.8178.500000111.1R178 E179 C184 Y185 L186 G194 E197 M198R178-A182 WeakPolarHBondContact O-CB 3.5Å; R178-A182 PolarHBondContact O-N 3.42Å; E179-A182 WeakPolarHBondContact O-CB 3.47Å; E179-A182 PolarHBondContact O-N 2.92Å; A182-C184 PolarHBondContact O-N 3.16Å; A182-Y185 PolarHBondContact O-N 3.24Å; A182-L186 VanDerWaalsContact O-CG 3.27Å; A182-L186 WeakPolarHBondContact O-CG 3.31Å; A182-L186 PolarHBondContact O-N 3.25Å; A182-G194 VanDerWaalsContact CB-O 3.28Å; A182-G194 WeakPolarHBondContact CB-O 3.42Å; A182-E197 HydrophobicContact CB-CB 3.87Å; A182-M198 HydrophobicContact CB-CB 3.99Å; A182-M198 HydrophobicContact CB-SD 4.12Å
183R93.3Very high93.4Very high86 Ų8642.9 Ų42.933%0.32522%0.22SC..Hα-helixtrans-62.6-38.3177.4-71.8-175.4-71.4150.3-7.5112.7F152 E179 L180 R181 L186 S187F152-R183 VanDerWaalsContact CE1-NH1 3.33Å; F152-R183 HydrophobicContact CE2-CB 3.59Å; F152-R183 HydrophobicContact CZ-CB 3.69Å; E179-R183 WeakPolarHBondContact O-CG 3.33Å; E179-R183 PolarHBondContact O-N 3.4Å; E179-R183 IonicContact OE1-NE 2.79Å; L180-R183 PolarHBondContact O-N 3.09Å; R181-R183 VanDerWaalsContact C-N 3.33Å; R181-R183 PolarHBondContact O-N 2.89Å; R183-L186 PolarHBondContact O-N 3.02Å; R183-S187 PolarHBondContact O-N 2.91Å; R183-S187 PolarHBondContact O-OG 3.3Å; R183-S187 VanDerWaalsContact O-OG 3.06Å
184C97.1Very high93.5Very high0 Ų041.1 Ų41.10%021%0.213CC..Hα-helixtrans-61.3-46174-64.70000112.1F152 L161 L180 R181 A182 L186 S187 L188F152-C184 VanDerWaalsContact CD2-SG 3.55Å; L161-C184 HydrophobicContact CD1-CB 3.91Å; L161-C184 HydrophobicContact CD2-CB 3.71Å; L161-C184 HydrophobicContact CG-CB 3.5Å; L180-C184 PolarHBondContact O-N 3.4Å; L180-C184 PolarHBondContact O-SG 3.48Å; R181-C184 WeakPolarHBondContact O-CB 3.41Å; R181-C184 PolarHBondContact O-N 3.39Å; R181-C184 VanDerWaalsContact O-N 3.15Å; A182-C184 PolarHBondContact O-N 3.16Å; C184-L186 VanDerWaalsContact C-N 3.34Å; C184-L186 PolarHBondContact O-N 3.37Å; C184-S187 PolarHBondContact O-N 3.29Å; C184-L188 VanDerWaalsContact O-CG 3.32Å; C184-L188 WeakPolarHBondContact O-CG 3.43Å; C184-L188 PolarHBondContact O-N 2.82Å; C184-L188 VanDerWaalsContact O-N 3.08Å
185Y97.1Very high93.5Very high32 Ų3241.2 Ų41.213%0.12521%0.213CC..Hα-helixtrans-62.5-41.4177.7-76.4-57.3000112.2L161 R181 A182 L188 G189 D190 K193 E197L161-Y185 HydrophobicContact CD1-CD1 3.82Å; L161-Y185 HydrophobicContact CD1-CE1 3.67Å; L161-Y185 HydrophobicContact CD1-CG 4.38Å; L161-Y185 HydrophobicContact CD2-CD2 4.23Å; L161-Y185 HydrophobicContact CD2-CE1 4.24Å; L161-Y185 HydrophobicContact CD2-CE2 3.9Å; R181-Y185 WeakPolarHBondContact O-CD2 3.34Å; R181-Y185 PolarHBondContact O-N 3.42Å; A182-Y185 PolarHBondContact O-N 3.24Å; Y185-L188 CarbonylContact O-C 3.22Å; Y185-L188 PolarHBondContact O-N 2.64Å; Y185-L188 VanDerWaalsContact O-N 3.14Å; Y185-G189 PolarHBondContact O-N 3.37Å; Y185-G189 VanDerWaalsContact O-N 3.16Å; Y185-D190 HydrophobicContact CD1-CB 4.28Å; Y185-D190 PolarHBondContact O-N 3.33Å; Y185-K193 HydrophobicContact CD1-CB 3.99Å; Y185-K193 HydrophobicContact CD1-CD 4.14Å; Y185-K193 HydrophobicContact CD2-CB 3.92Å; Y185-K193 HydrophobicContact CE1-CB 4.33Å; Y185-K193 HydrophobicContact CE1-CD 3.8Å; Y185-K193 HydrophobicContact CE2-CB 4.22Å; Y185-K193 HydrophobicContact CG-CB 3.8Å; Y185-E197 HydrophobicContact CD2-CG 3.97Å; Y185-E197 HydrophobicContact CE2-CG 3.89Å
186L93.6Very high93.7Very high41 Ų4144.5 Ų44.522%0.21523%0.229CC..Hα-helixtrans-61.9-45.5176.2-68.3167.1000111.9A182 R183 C184 L188 G189 V191 I218A182-L186 VanDerWaalsContact O-CG 3.27Å; A182-L186 WeakPolarHBondContact O-CG 3.31Å; A182-L186 PolarHBondContact O-N 3.25Å; R183-L186 PolarHBondContact O-N 3.02Å; C184-L186 VanDerWaalsContact C-N 3.34Å; C184-L186 PolarHBondContact O-N 3.37Å; L186-L188 PolarHBondContact O-N 2.9Å; L186-G189 PolarHBondContact O-N 2.88Å; L186-V191 HydrophobicContact CD2-CB 4.48Å; L186-V191 HydrophobicContact CD2-CG1 4.33Å; L186-V191 HydrophobicContact CD2-CG2 4.45Å; L186-I218 HydrophobicContact CD1-CB 4.36Å; L186-I218 HydrophobicContact CD1-CD1 3.66Å; L186-I218 HydrophobicContact CD1-CG1 3.82Å; L186-I218 HydrophobicContact CD1-CG2 3.56Å; L186-I218 HydrophobicContact CD2-CG2 3.43Å; L186-I218 VanDerWaalsContact CD2-CG2 3.43Å; L186-I218 HydrophobicContact CG-CG2 4.14Å
187S94.2Very high93.8Very high57 Ų5741.3 Ų41.340%0.39921%0.214SC..Hα-helixtrans-64.3-23.2175.8-60.90000113.4Y157 R183 C184Y157-S187 VanDerWaalsContact CD2-CB 3.49Å; Y157-S187 WeakPolarHBondContact CE1-OG 3.41Å; R183-S187 PolarHBondContact O-N 2.91Å; R183-S187 PolarHBondContact O-OG 3.3Å; R183-S187 VanDerWaalsContact O-OG 3.06Å; C184-S187 PolarHBondContact O-N 3.29Å
188L96.3Very high93.6Very high55 Ų5541.7 Ų41.729%0.28822%0.216SC..THydrogen-bonded Turntrans-88.80.3173.2-68.6171.7000113.6R158 L161 C184 Y185 L186 D190R158-L188 HydrophobicContact CG-CD1 3.99Å; R158-L188 HydrophobicContact CG-CD2 3.78Å; L161-L188 HydrophobicContact CD1-CD1 3.55Å; C184-L188 VanDerWaalsContact O-CG 3.32Å; C184-L188 WeakPolarHBondContact O-CG 3.43Å; C184-L188 PolarHBondContact O-N 2.82Å; C184-L188 VanDerWaalsContact O-N 3.08Å; Y185-L188 CarbonylContact O-C 3.22Å; Y185-L188 PolarHBondContact O-N 2.64Å; Y185-L188 VanDerWaalsContact O-N 3.14Å; L186-L188 PolarHBondContact O-N 2.9Å; L188-D190 VanDerWaalsContact C-N 3.33Å
189G92.4Very high93.5Very high58 Ų5844 Ų4460%0.59823%0.225SC*.THydrogen-bonded Turntrans81.32.1-179.100000115.2Y185 L186 V191Y185-G189 PolarHBondContact O-N 3.37Å; Y185-G189 VanDerWaalsContact O-N 3.16Å; L186-G189 PolarHBondContact O-N 2.88Å; G189-V191 VanDerWaalsContact C-N 3.28Å; G189-V191 PolarHBondContact O-N 3.2Å
190D95.1Very high93.3Very high49 Ų4946.3 Ų46.326%0.26223%0.234SC..  trans-84.772.7176-165.5-23.6000110Y185 L188 Q192 K193 G194Y185-D190 HydrophobicContact CD1-CB 4.28Å; Y185-D190 PolarHBondContact O-N 3.33Å; L188-D190 VanDerWaalsContact C-N 3.33Å; D190-Q192 PolarHBondContact O-N 3.19Å; D190-K193 HydrophobicContact CB-CB 4.5Å; D190-K193 PolarHBondContact O-N 2.61Å; D190-K193 WeakPolarHBondContact OD1-CB 3.4Å; D190-K193 WeakPolarHBondContact OD1-CG 3.37Å; D190-K193 PolarHBondContact OD1-N 3.29Å; D190-K193 VanDerWaalsContact OD1-N 3.08Å; D190-K193 WeakPolarHBondContact OD2-CD 3.37Å; D190-K193 WeakPolarHBondContact OD2-CE 3.13Å; D190-K193 WeakPolarHBondContact OD2-CG 3.41Å; D190-K193 IonicContact OD2-NZ 2.92Å; D190-K193 PolarHBondContact OD2-NZ 3.48Å; D190-K193 VanDerWaalsContact OD2-NZ 3.14Å; D190-G194 PolarHBondContact O-N 3.48Å
191V91.8Very high92.8Very high39 Ų3946.3 Ų46.324%0.23624%0.235CC..Hα-helixtrans-59.3-36.1-177.1179.90000112L186 G189 G194 L195 A222 F224L186-V191 HydrophobicContact CD2-CB 4.48Å; L186-V191 HydrophobicContact CD2-CG1 4.33Å; L186-V191 HydrophobicContact CD2-CG2 4.45Å; G189-V191 VanDerWaalsContact C-N 3.28Å; G189-V191 PolarHBondContact O-N 3.2Å; V191-G194 PolarHBondContact O-N 3.22Å; V191-L195 HydrophobicContact CG1-CD1 3.83Å; V191-L195 HydrophobicContact CG1-CG 4.14Å; V191-L195 WeakPolarHBondContact O-CB 3.17Å; V191-L195 VanDerWaalsContact O-CG 3.26Å; V191-L195 WeakPolarHBondContact O-CG 3.31Å; V191-L195 PolarHBondContact O-N 3.43Å; V191-A222 HydrophobicContact CG1-CB 3.7Å; V191-A222 HydrophobicContact CG2-CB 4.3Å; V191-F224 HydrophobicContact CG1-CE2 4.03Å
192Q92.9Very high92.2Very high121 Ų12146 Ų4657%0.56524%0.235SC*.Hα-helixtrans-65-49.6-178.5-67.1-58.7-4000111.7D190 L195 Q196D190-Q192 PolarHBondContact O-N 3.19Å; Q192-L195 PolarHBondContact O-N 2.89Å; Q192-Q196 WeakPolarHBondContact O-CB 2.98Å; Q192-Q196 PolarHBondContact O-N 3.35Å
193K94.2Very high91.6Very high95 Ų9553 Ų5341%0.41327%0.267SS..Hα-helixtrans-67.6-38.8175.9-69.9-172.4-163150.60112.3Y185 D190 L195 Q196 E197Y185-K193 HydrophobicContact CD1-CB 3.99Å; Y185-K193 HydrophobicContact CD1-CD 4.14Å; Y185-K193 HydrophobicContact CD2-CB 3.92Å; Y185-K193 HydrophobicContact CE1-CB 4.33Å; Y185-K193 HydrophobicContact CE1-CD 3.8Å; Y185-K193 HydrophobicContact CE2-CB 4.22Å; Y185-K193 HydrophobicContact CG-CB 3.8Å; D190-K193 HydrophobicContact CB-CB 4.5Å; D190-K193 PolarHBondContact O-N 2.61Å; D190-K193 WeakPolarHBondContact OD1-CB 3.4Å; D190-K193 WeakPolarHBondContact OD1-CG 3.37Å; D190-K193 PolarHBondContact OD1-N 3.29Å; D190-K193 VanDerWaalsContact OD1-N 3.08Å; D190-K193 WeakPolarHBondContact OD2-CD 3.37Å; D190-K193 WeakPolarHBondContact OD2-CE 3.13Å; D190-K193 WeakPolarHBondContact OD2-CG 3.41Å; D190-K193 IonicContact OD2-NZ 2.92Å; D190-K193 PolarHBondContact OD2-NZ 3.48Å; D190-K193 VanDerWaalsContact OD2-NZ 3.14Å; K193-L195 VanDerWaalsContact C-N 3.33Å; K193-L195 PolarHBondContact O-N 3.4Å; K193-Q196 PolarHBondContact O-N 3.38Å; K193-Q196 VanDerWaalsContact O-N 3.15Å; K193-E197 PolarHBondContact O-N 2.81Å
194G93.9Very high90.9Very high0 Ų049.4 Ų49.40%025%0.254CS..Hα-helixtrans-54.4-49.6174.900000112A182 D190 V191 Q196 M198A182-G194 VanDerWaalsContact CB-O 3.28Å; A182-G194 WeakPolarHBondContact CB-O 3.42Å; D190-G194 PolarHBondContact O-N 3.48Å; V191-G194 PolarHBondContact O-N 3.22Å; G194-Q196 PolarHBondContact O-N 3.35Å; G194-M198 WeakPolarHBondContact O-CB 3.26Å; G194-M198 PolarHBondContact O-N 3.43Å; G194-M198 VanDerWaalsContact O-N 3.08Å
195L92.4Very high89.7Confident5 Ų551.9 Ų51.93%0.02627%0.269CS..Hα-helixtrans-67.1-34.6176.8-71176.8000113.3V191 Q192 K193 R199 I218 M219V191-L195 HydrophobicContact CG1-CD1 3.83Å; V191-L195 HydrophobicContact CG1-CG 4.14Å; V191-L195 WeakPolarHBondContact O-CB 3.17Å; V191-L195 VanDerWaalsContact O-CG 3.26Å; V191-L195 WeakPolarHBondContact O-CG 3.31Å; V191-L195 PolarHBondContact O-N 3.43Å; Q192-L195 PolarHBondContact O-N 2.89Å; K193-L195 VanDerWaalsContact C-N 3.33Å; K193-L195 PolarHBondContact O-N 3.4Å; L195-R199 WeakPolarHBondContact O-CB 3.37Å; L195-R199 WeakPolarHBondContact O-CG 3.36Å; L195-R199 PolarHBondContact O-N 3.29Å; L195-I218 HydrophobicContact CD2-CB 4.08Å; L195-I218 HydrophobicContact CD2-CG2 3.56Å; L195-I218 HydrophobicContact CG-CG2 4.29Å; L195-M219 HydrophobicContact CD1-CG 3.84Å; L195-M219 HydrophobicContact CD2-CG 3.41Å; L195-M219 VanDerWaalsContact CD2-CG 3.41Å; L195-M219 HydrophobicContact CD2-SD 4.35Å; L195-M219 HydrophobicContact CG-CG 4.29Å
196Q91.8Very high88.3Confident126 Ų12655.7 Ų55.759%0.58929%0.292SS*.Hα-helixtrans-64.3-48.6176.4-176.6-177.68.900111.9Q192 K193 G194 M198 R199 F200Q192-Q196 WeakPolarHBondContact O-CB 2.98Å; Q192-Q196 PolarHBondContact O-N 3.35Å; K193-Q196 PolarHBondContact O-N 3.38Å; K193-Q196 VanDerWaalsContact O-N 3.15Å; G194-Q196 PolarHBondContact O-N 3.35Å; Q196-M198 VanDerWaalsContact C-N 3.31Å; Q196-M198 PolarHBondContact O-N 3.35Å; Q196-R199 PolarHBondContact O-N 3.06Å; Q196-F200 PolarHBondContact O-N 3.42Å
197E91.6Very high87.4Confident23 Ų2358.2 Ų58.211%0.10731%0.306CS..Hα-helixtrans-62-41176.9-70.3-72.5173.400111.1R178 R181 A182 Y185 K193 F200 G201R178-E197 VanDerWaalsContact CD-OE2 3.31Å; R178-E197 WeakPolarHBondContact CD-OE2 3.44Å; R178-E197 IonicContact CZ-OE2 3.96Å; R178-E197 IonicContact NH1-OE1 3.98Å; R178-E197 IonicContact NH1-OE2 3.34Å; R178-E197 PolarHBondContact NH1-OE2 3.31Å; R181-E197 HydrophobicContact CB-CG 4.29Å; R181-E197 IonicContact CZ-OE1 3.77Å; R181-E197 VanDerWaalsContact NE-CD 3.31Å; R181-E197 IonicContact NE-OE1 2.73Å; R181-E197 PolarHBondContact NE-OE1 3.34Å; R181-E197 VanDerWaalsContact NE-OE1 3.14Å; R181-E197 IonicContact NE-OE2 2.7Å; R181-E197 PolarHBondContact NE-OE2 3.33Å; R181-E197 VanDerWaalsContact NE-OE2 3.14Å; R181-E197 IonicContact NH2-OE1 3.66Å; R181-E197 PolarHBondContact NH2-OE1 3.12Å; A182-E197 HydrophobicContact CB-CB 3.87Å; Y185-E197 HydrophobicContact CD2-CG 3.97Å; Y185-E197 HydrophobicContact CE2-CG 3.89Å; K193-E197 PolarHBondContact O-N 2.81Å; E197-F200 WeakPolarHBondContact O-CB 3.47Å; E197-F200 PolarHBondContact O-N 3.04Å; E197-G201 PolarHBondContact O-N 2.83Å
198M90.3Very high86.9Confident7 Ų756 Ų563%0.03429%0.289CS..Hα-helixtrans-65.2-45.8179.1-161.268.6-171.100112.1E179 A182 G194 Q196 F200 G201 V202 R214 I215 I218E179-M198 HydrophobicContact CB-SD 4.26Å; E179-M198 HydrophobicContact CG-CE 4.17Å; E179-M198 HydrophobicContact CG-SD 4.03Å; A182-M198 HydrophobicContact CB-CB 3.99Å; A182-M198 HydrophobicContact CB-SD 4.12Å; G194-M198 WeakPolarHBondContact O-CB 3.26Å; G194-M198 PolarHBondContact O-N 3.43Å; G194-M198 VanDerWaalsContact O-N 3.08Å; Q196-M198 VanDerWaalsContact C-N 3.31Å; Q196-M198 PolarHBondContact O-N 3.35Å; M198-F200 VanDerWaalsContact C-N 3.28Å; M198-F200 PolarHBondContact O-N 3.5Å; M198-G201 PolarHBondContact O-N 3.32Å; M198-G201 VanDerWaalsContact O-N 3.15Å; M198-V202 WeakPolarHBondContact O-CG2 3.41Å; M198-V202 PolarHBondContact O-N 3.06Å; M198-R214 HydrophobicContact CE-CB 3.59Å; M198-R214 HydrophobicContact CE-CG 4.33Å; M198-R214 VanDerWaalsContact CE-NE 3.33Å; M198-I215 HydrophobicContact CB-CD1 4.29Å; M198-I215 HydrophobicContact CB-CG1 3.85Å; M198-I215 HydrophobicContact CG-CD1 3.97Å; M198-I215 HydrophobicContact CG-CG1 3.24Å; M198-I218 HydrophobicContact CG-CD1 4.26Å
199R90.1Very high86.6Confident73 Ų7356.3 Ų56.328%0.27529%0.287SS..Hα-helixtrans-58.9-41174.7-84.1-173.2-68.2-87.2-3.9112.1L195 Q196 G201 V202 H203 I215L195-R199 WeakPolarHBondContact O-CB 3.37Å; L195-R199 WeakPolarHBondContact O-CG 3.36Å; L195-R199 PolarHBondContact O-N 3.29Å; Q196-R199 PolarHBondContact O-N 3.06Å; R199-G201 VanDerWaalsContact C-N 3.34Å; R199-G201 PolarHBondContact O-N 3.23Å; R199-V202 PolarHBondContact O-N 3.16Å; R199-H203 PolarHBondContact O-N 3.25Å; R199-I215 HydrophobicContact CB-CD1 4.29Å; R199-I215 HydrophobicContact CG-CD1 3.72Å
200F86.4Confident86.4Confident88 Ų8859.7 Ų59.739%0.38629%0.287SS..Hα-helixtrans-58.5-49.6175.5-173.6-85.2000110.4D172 R178 Q196 E197 M198 V202 H203 L204D172-F200 VanDerWaalsContact O-CE1 3.31Å; D172-F200 WeakPolarHBondContact O-CE1 3.46Å; R178-F200 HydrophobicContact CG-CD1 3.98Å; Q196-F200 PolarHBondContact O-N 3.42Å; E197-F200 WeakPolarHBondContact O-CB 3.47Å; E197-F200 PolarHBondContact O-N 3.04Å; M198-F200 VanDerWaalsContact C-N 3.28Å; M198-F200 PolarHBondContact O-N 3.5Å; F200-V202 VanDerWaalsContact C-N 3.33Å; F200-V202 PolarHBondContact O-N 3.02Å; F200-H203 PolarHBondContact O-N 3.26Å; F200-L204 HydrophobicContact CD1-CD1 4.28Å; F200-L204 HydrophobicContact CD1-CD2 4.1Å; F200-L204 HydrophobicContact CD1-CG 4.38Å; F200-L204 HydrophobicContact CE1-CD1 4.15Å; F200-L204 HydrophobicContact CE1-CD2 3.63Å; F200-L204 HydrophobicContact CE1-CG 4.29Å; F200-L204 HydrophobicContact CZ-CD2 4.13Å; F200-L204 WeakPolarHBondContact O-CG 3.27Å; F200-L204 PolarHBondContact O-N 3.36Å
201G84.3Confident86.1Confident4 Ų457.4 Ų57.44%0.04128%0.275CS..Hα-helixtrans-56.8-42.1175.600000113.5E197 M198 R199 H203 L204E197-G201 PolarHBondContact O-N 2.83Å; M198-G201 PolarHBondContact O-N 3.32Å; M198-G201 VanDerWaalsContact O-N 3.15Å; R199-G201 VanDerWaalsContact C-N 3.34Å; R199-G201 PolarHBondContact O-N 3.23Å; G201-H203 PolarHBondContact O-N 2.9Å; G201-L204 WeakPolarHBondContact O-CB 3.36Å; G201-L204 WeakPolarHBondContact O-CG 3.23Å; G201-L204 PolarHBondContact O-N 2.57Å; G201-L204 VanDerWaalsContact O-N 3.16Å
202V84.5Confident86.1Confident8 Ų856 Ų565%0.04827%0.266CS..Hα-helixtrans-61-42.2177.1166.70000112.7M198 R199 F200 L204 T205 N208 L212 I215M198-V202 WeakPolarHBondContact O-CG2 3.41Å; M198-V202 PolarHBondContact O-N 3.06Å; R199-V202 PolarHBondContact O-N 3.16Å; F200-V202 VanDerWaalsContact C-N 3.33Å; F200-V202 PolarHBondContact O-N 3.02Å; V202-L204 PolarHBondContact O-N 2.95Å; V202-T205 PolarHBondContact O-N 2.61Å; V202-N208 WeakPolarHBondContact CA-ND2 3.3Å; V202-N208 HydrophobicContact CG1-CB 4.21Å; V202-L212 HydrophobicContact CG1-CD2 3.78Å; V202-L212 HydrophobicContact CG1-CG 3.86Å; V202-I215 HydrophobicContact CB-CD1 3.9Å; V202-I215 HydrophobicContact CG1-CD1 4.42Å; V202-I215 HydrophobicContact CG2-CD1 3.37Å; V202-I215 HydrophobicContact CG2-CG1 4.07Å
203H80.4Confident86.2Confident147 Ų14751.3 Ų51.368%0.68125%0.245SC*.THydrogen-bonded Turntrans-71.5-8179.3-67.1173.2000114.1R199 F200 G201 T205R199-H203 PolarHBondContact O-N 3.25Å; F200-H203 PolarHBondContact O-N 3.26Å; G201-H203 PolarHBondContact O-N 2.9Å; H203-T205 VanDerWaalsContact C-N 3.27Å; H203-T205 PolarHBondContact O-N 3.23Å
204L78.5Confident86Confident10 Ų1048.8 Ų48.85%0.05223%0.232CC..THydrogen-bonded Turntrans-73.6-21.6177.1-55.2-178.9000112.6Y173 R178 F200 G201 V202Y173-L204 HydrophobicContact CD1-CB 4.16Å; Y173-L204 HydrophobicContact CD1-CD1 4.35Å; Y173-L204 HydrophobicContact CD1-CD2 4.07Å; Y173-L204 HydrophobicContact CD1-CG 4.4Å; Y173-L204 HydrophobicContact CD2-CD2 3.61Å; Y173-L204 HydrophobicContact CE1-CB 3.69Å; Y173-L204 HydrophobicContact CE1-CD2 3.9Å; Y173-L204 HydrophobicContact CE1-CG 4.26Å; Y173-L204 HydrophobicContact CE2-CD2 3.45Å; Y173-L204 VanDerWaalsContact CE2-CD2 3.45Å; Y173-L204 HydrophobicContact CG-CD1 4.43Å; Y173-L204 HydrophobicContact CG-CD2 3.9Å; Y173-L204 PolarHBondContact OH-O 2.99Å; R178-L204 HydrophobicContact CG-CD1 4.39Å; F200-L204 HydrophobicContact CD1-CD1 4.28Å; F200-L204 HydrophobicContact CD1-CD2 4.1Å; F200-L204 HydrophobicContact CD1-CG 4.38Å; F200-L204 HydrophobicContact CE1-CD1 4.15Å; F200-L204 HydrophobicContact CE1-CD2 3.63Å; F200-L204 HydrophobicContact CE1-CG 4.29Å; F200-L204 HydrophobicContact CZ-CD2 4.13Å; F200-L204 WeakPolarHBondContact O-CG 3.27Å; F200-L204 PolarHBondContact O-N 3.36Å; G201-L204 WeakPolarHBondContact O-CB 3.36Å; G201-L204 WeakPolarHBondContact O-CG 3.23Å; G201-L204 PolarHBondContact O-N 2.57Å; G201-L204 VanDerWaalsContact O-N 3.16Å; V202-L204 PolarHBondContact O-N 2.95Å
205T72.6Confident86Confident51 Ų5148.8 Ų48.831%0.31323%0.233SC..SBendtrans-124.5132-175.2440000111.1V202 H203 D207 N208V202-T205 PolarHBondContact O-N 2.61Å; H203-T205 VanDerWaalsContact C-N 3.27Å; H203-T205 PolarHBondContact O-N 3.23Å; T205-D207 PolarHBondContact O-N 2.84Å; T205-N208 WeakPolarHBondContact OG1-CB 3.44Å; T205-N208 PolarHBondContact OG1-ND2 2.87Å
206N67.7Low86.1Confident113 Ų11348.6 Ų48.660%0.60423%0.231SC*.THydrogen-bonded Turntrans-71.6-25.2-173.4-75.26.9000114R81R81-N206 VanDerWaalsContact CZ-ND2 3.31Å; R81-N206 PolarHBondContact NE-OD1 3.42Å; R81-N206 PolarHBondContact NH2-ND2 3.47Å; R81-N206 VanDerWaalsContact NH2-ND2 3.17Å; R81-N206 PolarHBondContact NH2-OD1 2.91Å
207D73.8Confident86.3Confident94 Ų9446.2 Ų46.250%0.50322%0.22SC..THydrogen-bonded Turntrans-123.572.5175.1-179.117.8000108.3T205 R209T205-D207 PolarHBondContact O-N 2.84Å; D207-R209 WeakPolarHBondContact OD1-CG 3.48Å; D207-R209 IonicContact OD1-CZ 3.24Å; D207-R209 IonicContact OD1-NE 3.24Å; D207-R209 PolarHBondContact OD1-NE 3.37Å; D207-R209 IonicContact OD2-CZ 2.99Å; D207-R209 IonicContact OD2-NE 3.04Å; D207-R209 IonicContact OD2-NH2 3.47Å; D207-R209 PolarHBondContact OD2-NH2 3.35Å
208N84.2Confident86.3Confident9 Ų946.6 Ų46.65%0.04822%0.223CC..  trans-103.355.5179.1-154-14.5000112.7E175 V202 T205 E210 G211 L212E175-N208 PolarHBondContact OE1-ND2 2.87Å; V202-N208 WeakPolarHBondContact CA-ND2 3.3Å; V202-N208 HydrophobicContact CG1-CB 4.21Å; T205-N208 WeakPolarHBondContact OG1-CB 3.44Å; T205-N208 PolarHBondContact OG1-ND2 2.87Å; N208-E210 PolarHBondContact O-N 3.33Å; N208-G211 PolarHBondContact O-N 3.07Å; N208-G211 VanDerWaalsContact OD1-CA 3.27Å; N208-G211 WeakPolarHBondContact OD1-CA 3.49Å; N208-G211 PolarHBondContact OD1-N 3.15Å; N208-L212 WeakPolarHBondContact O-CB 3.36Å; N208-L212 WeakPolarHBondContact O-CG 3.26Å; N208-L212 PolarHBondContact O-N 3.17Å
209R89.8Confident86.5Confident62 Ų6246.8 Ų46.823%0.23422%0.224CC..Hα-helixtrans-56.4-40.8174.6-74.4176.4-70.7156.4-17.2112.4D207 L212 L213 L238 D239 D242D207-R209 WeakPolarHBondContact OD1-CG 3.48Å; D207-R209 IonicContact OD1-CZ 3.24Å; D207-R209 IonicContact OD1-NE 3.24Å; D207-R209 PolarHBondContact OD1-NE 3.37Å; D207-R209 IonicContact OD2-CZ 2.99Å; D207-R209 IonicContact OD2-NE 3.04Å; D207-R209 IonicContact OD2-NH2 3.47Å; D207-R209 PolarHBondContact OD2-NH2 3.35Å; R209-L212 PolarHBondContact O-N 3.01Å; R209-L213 WeakPolarHBondContact O-CB 3.49Å; R209-L213 PolarHBondContact O-N 3.41Å; R209-L238 HydrophobicContact CG-CB 3.72Å; R209-L238 HydrophobicContact CG-CD1 3.84Å; R209-L238 HydrophobicContact CG-CG 4.43Å; R209-D239 VanDerWaalsContact CD-CB 3.44Å; R209-D239 IonicContact CZ-OD2 3.84Å; R209-D239 IonicContact NH1-OD2 2.96Å; R209-D239 PolarHBondContact NH1-OD2 2.9Å; R209-D242 IonicContact CZ-OD2 3.2Å; R209-D242 IonicContact NH1-OD2 3.7Å; R209-D242 PolarHBondContact NH1-OD2 3.24Å
210E87.7Confident86.8Confident130 Ų13043.4 Ų43.461%0.60721%0.211SC*.Hα-helixtrans-64.4-44.4179.9-150-168.2148.400111.6N208 L213 R214N208-E210 PolarHBondContact O-N 3.33Å; E210-L213 WeakPolarHBondContact O-CB 3.23Å; E210-L213 PolarHBondContact O-N 3.46Å; E210-R214 WeakPolarHBondContact O-CG 3.43Å; E210-R214 PolarHBondContact O-N 3Å; E210-R214 IonicContact OE1-CZ 2.87Å; E210-R214 IonicContact OE1-NH1 2.71Å; E210-R214 PolarHBondContact OE1-NH1 3.5Å; E210-R214 IonicContact OE2-NH1 3.15Å
211G88.9Confident87.1Confident0 Ų044 Ų440%022%0.218CC..Hα-helixtrans-67.9-39.2175.900000113N208 L213 R214 I215N208-G211 PolarHBondContact O-N 3.07Å; N208-G211 VanDerWaalsContact OD1-CA 3.27Å; N208-G211 WeakPolarHBondContact OD1-CA 3.49Å; N208-G211 PolarHBondContact OD1-N 3.15Å; G211-L213 VanDerWaalsContact C-N 3.33Å; G211-L213 PolarHBondContact O-N 3.44Å; G211-R214 PolarHBondContact O-N 3.04Å; G211-I215 WeakPolarHBondContact O-CG1 3.5Å; G211-I215 PolarHBondContact O-N 3.29Å
212L93.1Very high87.5Confident11 Ų1144.9 Ų44.96%0.05823%0.225CC..Hα-helixtrans-61.6-41.6171.7-74.1168.4000111.5V202 N208 R209 I215 S216 E234 C235 L238V202-L212 HydrophobicContact CG1-CD2 3.78Å; V202-L212 HydrophobicContact CG1-CG 3.86Å; N208-L212 WeakPolarHBondContact O-CB 3.36Å; N208-L212 WeakPolarHBondContact O-CG 3.26Å; N208-L212 PolarHBondContact O-N 3.17Å; R209-L212 PolarHBondContact O-N 3.01Å; L212-I215 PolarHBondContact O-N 2.97Å; L212-S216 WeakPolarHBondContact O-CB 3.45Å; L212-S216 PolarHBondContact O-N 2.93Å; L212-S216 PolarHBondContact O-OG 3.14Å; L212-E234 HydrophobicContact CD1-CB 4.27Å; L212-E234 HydrophobicContact CD1-CG 3.93Å; L212-E234 HydrophobicContact CD2-CB 4.42Å; L212-E234 HydrophobicContact CD2-CG 4.26Å; L212-C235 HydrophobicContact CB-CB 4Å; L212-C235 HydrophobicContact CD1-CB 4.27Å; L212-L238 HydrophobicContact CD1-CD1 3.65Å
213L94.4Very high88Confident22 Ų2245 Ų4512%0.11523%0.228CC..Hα-helixtrans-61.6-47174.1178.960.7000111.3R209 E210 G211 S216 Q217 L232 A244 F248R209-L213 WeakPolarHBondContact O-CB 3.49Å; R209-L213 PolarHBondContact O-N 3.41Å; E210-L213 WeakPolarHBondContact O-CB 3.23Å; E210-L213 PolarHBondContact O-N 3.46Å; G211-L213 VanDerWaalsContact C-N 3.33Å; G211-L213 PolarHBondContact O-N 3.44Å; L213-S216 WeakPolarHBondContact O-CB 3.33Å; L213-S216 PolarHBondContact O-N 2.9Å; L213-Q217 HydrophobicContact CD1-CG 4.5Å; L213-Q217 WeakPolarHBondContact O-CG 3.38Å; L213-Q217 PolarHBondContact O-N 3.15Å; L213-L232 HydrophobicContact CD1-CD2 4Å; L213-A244 HydrophobicContact CD2-CB 3.57Å; L213-F248 HydrophobicContact CD1-CB 3.96Å; L213-F248 HydrophobicContact CD1-CD1 3.87Å; L213-F248 HydrophobicContact CD1-CG 4.19Å
214R90.4Very high88.7Confident41 Ų4141.1 Ų41.116%0.15521%0.21CC..Hα-helixtrans-60.3-46.9177-74.9-166.8-72-82.2-1.1111.8E175 E179 M198 E210 G211 S216 Q217 I218E175-R214 IonicContact OE1-NH2 3.53Å; E175-R214 PolarHBondContact OE1-NH2 3.08Å; E179-R214 IonicContact OE1-NE 3.23Å; E179-R214 IonicContact OE2-CZ 3.14Å; E179-R214 VanDerWaalsContact OE2-CZ 3.24Å; E179-R214 IonicContact OE2-NE 2.77Å; E179-R214 PolarHBondContact OE2-NE 2.95Å; E179-R214 IonicContact OE2-NH2 3.56Å; E179-R214 PolarHBondContact OE2-NH2 3.39Å; M198-R214 HydrophobicContact CE-CB 3.59Å; M198-R214 HydrophobicContact CE-CG 4.33Å; M198-R214 VanDerWaalsContact CE-NE 3.33Å; E210-R214 WeakPolarHBondContact O-CG 3.43Å; E210-R214 PolarHBondContact O-N 3Å; E210-R214 IonicContact OE1-CZ 2.87Å; E210-R214 IonicContact OE1-NH1 2.71Å; E210-R214 PolarHBondContact OE1-NH1 3.5Å; E210-R214 IonicContact OE2-NH1 3.15Å; G211-R214 PolarHBondContact O-N 3.04Å; R214-S216 VanDerWaalsContact C-N 3.27Å; R214-S216 PolarHBondContact O-N 2.95Å; R214-Q217 WeakPolarHBondContact O-CB 3.44Å; R214-Q217 PolarHBondContact O-N 2.84Å; R214-I218 WeakPolarHBondContact O-CD1 3.2Å; R214-I218 VanDerWaalsContact O-CG1 3.31Å; R214-I218 WeakPolarHBondContact O-CG1 3.48Å; R214-I218 PolarHBondContact O-N 2.96Å
215I92.5Very high89.7Confident1 Ų140.7 Ų40.71%0.00521%0.207CC..Hα-helixtrans-55-47.8173.6-73.8178.4000110.3M198 R199 V202 G211 L212 Q217 I218 M219 E231M198-I215 HydrophobicContact CB-CD1 4.29Å; M198-I215 HydrophobicContact CB-CG1 3.85Å; M198-I215 HydrophobicContact CG-CD1 3.97Å; M198-I215 HydrophobicContact CG-CG1 3.24Å; R199-I215 HydrophobicContact CB-CD1 4.29Å; R199-I215 HydrophobicContact CG-CD1 3.72Å; V202-I215 HydrophobicContact CB-CD1 3.9Å; V202-I215 HydrophobicContact CG1-CD1 4.42Å; V202-I215 HydrophobicContact CG2-CD1 3.37Å; V202-I215 HydrophobicContact CG2-CG1 4.07Å; G211-I215 WeakPolarHBondContact O-CG1 3.5Å; G211-I215 PolarHBondContact O-N 3.29Å; L212-I215 PolarHBondContact O-N 2.97Å; I215-Q217 VanDerWaalsContact C-N 3.29Å; I215-Q217 PolarHBondContact O-N 3.48Å; I215-I218 PolarHBondContact O-N 3.03Å; I215-M219 HydrophobicContact CG2-CG 4.17Å; I215-M219 HydrophobicContact CG2-SD 3.48Å; I215-M219 WeakPolarHBondContact CG2-SD 3.32Å; I215-M219 WeakPolarHBondContact O-CB 3.12Å; I215-M219 VanDerWaalsContact O-CG 3.23Å; I215-M219 WeakPolarHBondContact O-CG 3.32Å; I215-M219 PolarHBondContact O-N 3.47Å; I215-E231 HydrophobicContact CG2-CG 3.98Å
216S95.7Very high90.9Very high0 Ų040.5 Ų40.50%021%0.206CC..Hα-helixtrans-61.6-38.7-178.7-56.50000112.1L212 L213 R214 Y220 A228 E231 L232L212-S216 WeakPolarHBondContact O-CB 3.45Å; L212-S216 PolarHBondContact O-N 2.93Å; L212-S216 PolarHBondContact O-OG 3.14Å; L213-S216 WeakPolarHBondContact O-CB 3.33Å; L213-S216 PolarHBondContact O-N 2.9Å; R214-S216 VanDerWaalsContact C-N 3.27Å; R214-S216 PolarHBondContact O-N 2.95Å; S216-Y220 VanDerWaalsContact O-CB 3.3Å; S216-Y220 WeakPolarHBondContact O-CB 3.49Å; S216-Y220 PolarHBondContact O-N 3.16Å; S216-A228 WeakPolarHBondContact O-CB 3.34Å; S216-E231 VanDerWaalsContact OG-CB 3.23Å; S216-E231 WeakPolarHBondContact OG-CB 3.41Å; S216-L232 WeakPolarHBondContact OG-CG 3.37Å
217Q94.8Very high92.2Very high77 Ų7739.4 Ų39.436%0.3620%0.197SC..Hα-helixtrans-64.4-49175.5-72.6168.2-19.400111.1L213 R214 I215 M219 Y220 D221 F248L213-Q217 HydrophobicContact CD1-CG 4.5Å; L213-Q217 WeakPolarHBondContact O-CG 3.38Å; L213-Q217 PolarHBondContact O-N 3.15Å; R214-Q217 WeakPolarHBondContact O-CB 3.44Å; R214-Q217 PolarHBondContact O-N 2.84Å; I215-Q217 VanDerWaalsContact C-N 3.29Å; I215-Q217 PolarHBondContact O-N 3.48Å; Q217-M219 VanDerWaalsContact C-N 3.32Å; Q217-M219 PolarHBondContact O-N 2.81Å; Q217-Y220 WeakPolarHBondContact O-CB 3.24Å; Q217-Y220 PolarHBondContact O-N 3.01Å; Q217-D221 WeakPolarHBondContact O-CB 3.43Å; Q217-D221 VanDerWaalsContact O-CG 3.29Å; Q217-D221 PolarHBondContact O-N 2.82Å; Q217-F248 HydrophobicContact CB-CE1 4.25Å; Q217-F248 HydrophobicContact CB-CZ 4.27Å; Q217-F248 HydrophobicContact CG-CD1 4.08Å; Q217-F248 HydrophobicContact CG-CE1 3.61Å; Q217-F248 HydrophobicContact CG-CE2 4.3Å; Q217-F248 HydrophobicContact CG-CZ 3.74Å
218I91.8Very high93.3Very high31 Ų3134.9 Ų34.916%0.15917%0.173CC..Hα-helixtrans-58.5-45.9177.4-65.3158.9000110.9L186 L195 M198 R214 I215 D221 A222L186-I218 HydrophobicContact CD1-CB 4.36Å; L186-I218 HydrophobicContact CD1-CD1 3.66Å; L186-I218 HydrophobicContact CD1-CG1 3.82Å; L186-I218 HydrophobicContact CD1-CG2 3.56Å; L186-I218 HydrophobicContact CD2-CG2 3.43Å; L186-I218 VanDerWaalsContact CD2-CG2 3.43Å; L186-I218 HydrophobicContact CG-CG2 4.14Å; L195-I218 HydrophobicContact CD2-CB 4.08Å; L195-I218 HydrophobicContact CD2-CG2 3.56Å; L195-I218 HydrophobicContact CG-CG2 4.29Å; M198-I218 HydrophobicContact CG-CD1 4.26Å; R214-I218 WeakPolarHBondContact O-CD1 3.2Å; R214-I218 VanDerWaalsContact O-CG1 3.31Å; R214-I218 WeakPolarHBondContact O-CG1 3.48Å; R214-I218 PolarHBondContact O-N 2.96Å; I215-I218 PolarHBondContact O-N 3.03Å; I218-D221 PolarHBondContact O-N 3.23Å; I218-A222 WeakPolarHBondContact O-CB 3.49Å; I218-A222 PolarHBondContact O-N 3.12Å
219M95.2Very high94Very high11 Ų1134.7 Ų34.75%0.05417%0.172CC..Hα-helixtrans-62.9-43.5178.1-70.9177.377.200111.4L195 I215 Q217 A222 G223 F224 Q227 A228 E231L195-M219 HydrophobicContact CD1-CG 3.84Å; L195-M219 HydrophobicContact CD2-CG 3.41Å; L195-M219 VanDerWaalsContact CD2-CG 3.41Å; L195-M219 HydrophobicContact CD2-SD 4.35Å; L195-M219 HydrophobicContact CG-CG 4.29Å; I215-M219 HydrophobicContact CG2-CG 4.17Å; I215-M219 HydrophobicContact CG2-SD 3.48Å; I215-M219 WeakPolarHBondContact CG2-SD 3.32Å; I215-M219 WeakPolarHBondContact O-CB 3.12Å; I215-M219 VanDerWaalsContact O-CG 3.23Å; I215-M219 WeakPolarHBondContact O-CG 3.32Å; I215-M219 PolarHBondContact O-N 3.47Å; Q217-M219 VanDerWaalsContact C-N 3.32Å; Q217-M219 PolarHBondContact O-N 2.81Å; M219-A222 CarbonylContact O-C 3.52Å; M219-A222 PolarHBondContact O-N 3.14Å; M219-G223 PolarHBondContact O-N 2.86Å; M219-F224 HydrophobicContact CB-CB 4.17Å; M219-F224 WeakPolarHBondContact O-CA 3.41Å; M219-F224 VanDerWaalsContact O-CB 3.31Å; M219-F224 WeakPolarHBondContact O-CB 3.15Å; M219-F224 PolarHBondContact O-N 3.44Å; M219-Q227 HydrophobicContact CE-CB 3.21Å; M219-Q227 HydrophobicContact CE-CG 4.31Å; M219-A228 HydrophobicContact CB-CB 3.89Å; M219-E231 HydrophobicContact CE-CG 4.46Å; M219-E231 HydrophobicContact SD-CG 3.73Å
220Y96.7Very high94.3Very high1 Ų135.8 Ų35.80%0.00418%0.183CC..Hα-helixtrans-62.5-45.4176.3-177.8-98.4000111.9S216 Q217 A222 G223 A225 F248 K251 V252 V255 E285 Y291S216-Y220 VanDerWaalsContact O-CB 3.3Å; S216-Y220 WeakPolarHBondContact O-CB 3.49Å; S216-Y220 PolarHBondContact O-N 3.16Å; Q217-Y220 WeakPolarHBondContact O-CB 3.24Å; Q217-Y220 PolarHBondContact O-N 3.01Å; Y220-A222 PolarHBondContact O-N 2.98Å; Y220-G223 PolarHBondContact O-N 3.47Å; Y220-A225 HydrophobicContact CD2-CB 4.04Å; Y220-A225 HydrophobicContact CE2-CB 4.23Å; Y220-F248 HydrophobicContact CD1-CE2 4.44Å; Y220-F248 HydrophobicContact CD1-CZ 4.12Å; Y220-F248 AromaticContact CG-CZ 3.95Å; Y220-F248 HydrophobicContact CG-CZ 3.95Å; Y220-K251 WeakPolarHBondContact OH-CE 3.33Å; Y220-V252 HydrophobicContact CD2-CB 4.09Å; Y220-V252 HydrophobicContact CD2-CG1 3.78Å; Y220-V252 HydrophobicContact CD2-CG2 3.54Å; Y220-V252 HydrophobicContact CE2-CB 4.31Å; Y220-V252 HydrophobicContact CE2-CG1 4.27Å; Y220-V252 HydrophobicContact CE2-CG2 3.93Å; Y220-V252 HydrophobicContact CG-CG2 3.96Å; Y220-V255 HydrophobicContact CE2-CB 4.3Å; Y220-V255 HydrophobicContact CE2-CG2 4.2Å; Y220-E285 WeakPolarHBondContact CE1-OE2 3.46Å; Y220-E285 WeakPolarHBondContact OH-CG 3.46Å; Y220-E285 PolarHBondContact OH-OE2 3.44Å; Y220-Y291 WeakPolarHBondContact CA-OH 3.41Å; Y220-Y291 HydrophobicContact CD1-CE2 4.4Å; Y220-Y291 HydrophobicContact CD2-CE2 4.2Å; Y220-Y291 AromaticContact CD2-CZ 3.9Å; Y220-Y291 WeakPolarHBondContact CD2-OH 3.24Å; Y220-Y291 HydrophobicContact CE1-CE2 4.11Å; Y220-Y291 AromaticContact CE2-CE2 3.94Å; Y220-Y291 HydrophobicContact CE2-CE2 3.94Å; Y220-Y291 AromaticContact CE2-CZ 3.84Å; Y220-Y291 HydrophobicContact CG-CE2 4.46Å; Y220-Y291 AromaticContact CZ-CE2 3.9Å; Y220-Y291 WeakPolarHBondContact O-CE2 3.43Å; Y220-Y291 VanDerWaalsContact O-CZ 3.25Å; Y220-Y291 PolarHBondContact O-OH 2.88Å
221D93.1Very high94.6Very high101 Ų10131.7 Ų31.754%0.5416%0.163SC..Hα-helixtrans-64.6-32.3-179.7-68-19.2000111.3Q217 I218 G223 N288Q217-D221 WeakPolarHBondContact O-CB 3.43Å; Q217-D221 VanDerWaalsContact O-CG 3.29Å; Q217-D221 PolarHBondContact O-N 2.82Å; I218-D221 PolarHBondContact O-N 3.23Å; D221-G223 VanDerWaalsContact C-N 3.27Å; D221-G223 PolarHBondContact O-N 3.34Å; D221-N288 PolarHBondContact O-ND2 3.42Å
222A91.8Very high95Very high22 Ų2231.7 Ų31.718%0.18216%0.163CC..THydrogen-bonded Turntrans-82.513.317400000115.2V191 I218 M219 Y220 F224V191-A222 HydrophobicContact CG1-CB 3.7Å; V191-A222 HydrophobicContact CG2-CB 4.3Å; I218-A222 WeakPolarHBondContact O-CB 3.49Å; I218-A222 PolarHBondContact O-N 3.12Å; M219-A222 CarbonylContact O-C 3.52Å; M219-A222 PolarHBondContact O-N 3.14Å; Y220-A222 PolarHBondContact O-N 2.98Å; A222-F224 HydrophobicContact CB-CD2 3.75Å; A222-F224 HydrophobicContact CB-CE2 3.82Å; A222-F224 PolarHBondContact O-N 3.39Å
223G94.7Very high95.2Very high12 Ų1236.6 Ų36.612%0.12418%0.181CC..THydrogen-bonded Turntrans83.54176.300000115.6M219 Y220 D221 A225M219-G223 PolarHBondContact O-N 2.86Å; Y220-G223 PolarHBondContact O-N 3.47Å; D221-G223 VanDerWaalsContact C-N 3.27Å; D221-G223 PolarHBondContact O-N 3.34Å; G223-A225 PolarHBondContact O-N 2.95Å
224F96.2Very high95.1Very high65 Ų6539.1 Ų39.129%0.28519%0.193SC..  trans-9446.8-177.4-56.9-62.9000113V191 M219 A222 V226 Q227 A228V191-F224 HydrophobicContact CG1-CE2 4.03Å; M219-F224 HydrophobicContact CB-CB 4.17Å; M219-F224 WeakPolarHBondContact O-CA 3.41Å; M219-F224 VanDerWaalsContact O-CB 3.31Å; M219-F224 WeakPolarHBondContact O-CB 3.15Å; M219-F224 PolarHBondContact O-N 3.44Å; A222-F224 HydrophobicContact CB-CD2 3.75Å; A222-F224 HydrophobicContact CB-CE2 3.82Å; A222-F224 PolarHBondContact O-N 3.39Å; F224-V226 VanDerWaalsContact C-N 3.28Å; F224-V226 PolarHBondContact O-N 2.66Å; F224-Q227 HydrophobicContact CB-CB 4.43Å; F224-Q227 PolarHBondContact O-N 2.67Å; F224-Q227 PolarHBondContact O-OE1 2.86Å; F224-A228 WeakPolarHBondContact O-CB 3.33Å; F224-A228 PolarHBondContact O-N 3.49Å
225A98.1Very high95.3Very high0 Ų037.2 Ų37.20%019%0.185CC..Hα-helixtrans-53.2-41.9-177.600000113.3Y220 G223 A228 T229 V252 V255 A256 I259 Y291Y220-A225 HydrophobicContact CD2-CB 4.04Å; Y220-A225 HydrophobicContact CE2-CB 4.23Å; G223-A225 PolarHBondContact O-N 2.95Å; A225-A228 PolarHBondContact O-N 2.92Å; A225-T229 WeakPolarHBondContact O-CG2 3.1Å; A225-T229 PolarHBondContact O-N 3.37Å; A225-V252 HydrophobicContact CB-CG1 4.18Å; A225-V252 WeakPolarHBondContact O-CG1 3.35Å; A225-V255 HydrophobicContact CB-CB 4.28Å; A225-V255 HydrophobicContact CB-CG1 4Å; A225-A256 HydrophobicContact CB-CB 4.24Å; A225-I259 HydrophobicContact CB-CD1 3.93Å; A225-Y291 HydrophobicContact CB-CE1 3.68Å; A225-Y291 VanDerWaalsContact CB-OH 3.31Å; A225-Y291 WeakPolarHBondContact CB-OH 3.15Å; A225-Y291 PolarHBondContact N-OH 3.29Å
226V98.1Very high95.4Very high48 Ų4838.3 Ų38.329%0.29119%0.191SC..Hα-helixtrans-61.9-48.8-178.6178.40000110.4F224 T229 A256 I259F224-V226 VanDerWaalsContact C-N 3.28Å; F224-V226 PolarHBondContact O-N 2.66Å; V226-T229 PolarHBondContact O-N 3.48Å; V226-T229 PolarHBondContact O-OG1 2.92Å; V226-A256 HydrophobicContact CG2-CB 4.11Å; V226-I259 HydrophobicContact CG2-CB 4.21Å; V226-I259 HydrophobicContact CG2-CG2 3.84Å
227Q95.5Very high95.4Very high89 Ų8945.6 Ų45.642%0.41622%0.218SC..Hα-helixtrans-68.5-38.3178.6-5988.7-1900111.7M219 F224 T229 N230 E231M219-Q227 HydrophobicContact CE-CB 3.21Å; M219-Q227 HydrophobicContact CE-CG 4.31Å; F224-Q227 HydrophobicContact CB-CB 4.43Å; F224-Q227 PolarHBondContact O-N 2.67Å; F224-Q227 PolarHBondContact O-OE1 2.86Å; Q227-T229 PolarHBondContact O-N 2.94Å; Q227-N230 WeakPolarHBondContact O-CB 3.4Å; Q227-N230 PolarHBondContact O-N 3.36Å; Q227-E231 PolarHBondContact O-N 3.33Å
228A97.5Very high95.2Very high0 Ų044.9 Ų44.90%022%0.217CC..Hα-helixtrans-57.9-33.5173.600000112.6S216 M219 F224 A225 N230 E231 L232 V252S216-A228 WeakPolarHBondContact O-CB 3.34Å; M219-A228 HydrophobicContact CB-CB 3.89Å; F224-A228 WeakPolarHBondContact O-CB 3.33Å; F224-A228 PolarHBondContact O-N 3.49Å; A225-A228 PolarHBondContact O-N 2.92Å; A228-N230 VanDerWaalsContact C-N 3.27Å; A228-N230 PolarHBondContact O-N 3.2Å; A228-E231 PolarHBondContact O-N 3.38Å; A228-L232 WeakPolarHBondContact O-CG 3.4Å; A228-L232 PolarHBondContact O-N 3.45Å; A228-V252 HydrophobicContact CB-CG1 3.97Å
229T97.8Very high95.3Very high4 Ų445.9 Ų45.93%0.02522%0.222CC..Hα-helixtrans-64.3-29.7173.765.40000113.6A225 V226 Q227 R233 Y249 V252 N253 A256A225-T229 WeakPolarHBondContact O-CG2 3.1Å; A225-T229 PolarHBondContact O-N 3.37Å; V226-T229 PolarHBondContact O-N 3.48Å; V226-T229 PolarHBondContact O-OG1 2.92Å; Q227-T229 PolarHBondContact O-N 2.94Å; T229-R233 VanDerWaalsContact O-CG 3.26Å; T229-R233 WeakPolarHBondContact O-CG 3.36Å; T229-R233 PolarHBondContact O-N 3.23Å; T229-Y249 HydrophobicContact CG2-CE2 4.45Å; T229-V252 HydrophobicContact CG2-CB 4.49Å; T229-V252 HydrophobicContact CG2-CG1 3.74Å; T229-N253 HydrophobicContact CG2-CB 4.16Å; T229-A256 HydrophobicContact CG2-CB 3.51Å
230N95.8Very high95.2Very high85 Ų8552.6 Ų52.646%0.45525%0.254SS..Hα-helixtrans-71.3-44.4178.1-65.2-29.2000110.7Q227 A228 L232 R233 E234Q227-N230 WeakPolarHBondContact O-CB 3.4Å; Q227-N230 PolarHBondContact O-N 3.36Å; A228-N230 VanDerWaalsContact C-N 3.27Å; A228-N230 PolarHBondContact O-N 3.2Å; N230-L232 VanDerWaalsContact C-N 3.3Å; N230-L232 PolarHBondContact O-N 3.19Å; N230-R233 WeakPolarHBondContact O-CB 3.38Å; N230-R233 PolarHBondContact O-N 3.37Å; N230-R233 VanDerWaalsContact O-N 3.16Å; N230-R233 PolarHBondContact OD1-NH1 2.87Å; N230-E234 PolarHBondContact O-N 3Å
231E94.6Very high95Very high44 Ų4459 Ų5921%0.20629%0.288CS..Hα-helixtrans-62.3-38175.3-58.1-64.2177.200111.6I215 S216 M219 Q227 A228 R233 E234 C235I215-E231 HydrophobicContact CG2-CG 3.98Å; S216-E231 VanDerWaalsContact OG-CB 3.23Å; S216-E231 WeakPolarHBondContact OG-CB 3.41Å; M219-E231 HydrophobicContact CE-CG 4.46Å; M219-E231 HydrophobicContact SD-CG 3.73Å; Q227-E231 PolarHBondContact O-N 3.33Å; A228-E231 PolarHBondContact O-N 3.38Å; E231-R233 PolarHBondContact O-N 3.05Å; E231-E234 WeakPolarHBondContact O-CB 3.49Å; E231-E234 PolarHBondContact O-N 3Å; E231-C235 PolarHBondContact O-N 3.45Å
232L97.1Very high95.1Very high0 Ų055.4 Ų55.40%027%0.269CS..Hα-helixtrans-69-32.2175-73.3162.9000113.5L213 S216 A228 N230 E234 C235 L236 C245 F248 Y249 V252L213-L232 HydrophobicContact CD1-CD2 4Å; S216-L232 WeakPolarHBondContact OG-CG 3.37Å; A228-L232 WeakPolarHBondContact O-CG 3.4Å; A228-L232 PolarHBondContact O-N 3.45Å; N230-L232 VanDerWaalsContact C-N 3.3Å; N230-L232 PolarHBondContact O-N 3.19Å; L232-E234 VanDerWaalsContact C-N 3.32Å; L232-C235 PolarHBondContact O-N 3.4Å; L232-L236 WeakPolarHBondContact O-CB 3.5Å; L232-L236 WeakPolarHBondContact O-CG 3.37Å; L232-L236 PolarHBondContact O-N 3.47Å; L232-C245 HydrophobicContact CD2-CB 4.33Å; L232-F248 HydrophobicContact CD1-CD1 3.61Å; L232-F248 HydrophobicContact CD1-CE1 4.12Å; L232-F248 HydrophobicContact CD1-CG 4.41Å; L232-F248 HydrophobicContact CD2-CB 4.37Å; L232-F248 HydrophobicContact CD2-CD1 3.83Å; L232-F248 HydrophobicContact CG-CD1 4.28Å; L232-Y249 HydrophobicContact CB-CD2 3.76Å; L232-Y249 HydrophobicContact CB-CG 4.41Å; L232-Y249 HydrophobicContact CD1-CD2 4.49Å; L232-V252 HydrophobicContact CD1-CB 4.05Å; L232-V252 HydrophobicContact CD1-CG1 4.37Å; L232-V252 HydrophobicContact CD1-CG2 3.99Å
233R96.5Very high95.3Very high114 Ų11463 Ų6343%0.4330%0.298SS..Hα-helixtrans-66.1-38.6171.8-74.2167.9-169143.84.8110.8T229 N230 E231 L236 R237 Y249T229-R233 VanDerWaalsContact O-CG 3.26Å; T229-R233 WeakPolarHBondContact O-CG 3.36Å; T229-R233 PolarHBondContact O-N 3.23Å; N230-R233 WeakPolarHBondContact O-CB 3.38Å; N230-R233 PolarHBondContact O-N 3.37Å; N230-R233 VanDerWaalsContact O-N 3.16Å; N230-R233 PolarHBondContact OD1-NH1 2.87Å; E231-R233 PolarHBondContact O-N 3.05Å; R233-L236 PolarHBondContact O-N 3.39Å; R233-R237 WeakPolarHBondContact O-CB 3.45Å; R233-R237 PolarHBondContact O-N 3.28Å; R233-Y249 HydrophobicContact CG-CE2 3.84Å; R233-Y249 PolarHBondContact NE-OH 3.25Å
234E93.2Very high95.4Very high76 Ų7664.9 Ų64.936%0.35531%0.312SS..Hα-helixtrans-63.5-43.3173.4-169.173.2172.400110.9L212 N230 E231 L232 L236 R237 L238L212-E234 HydrophobicContact CD1-CB 4.27Å; L212-E234 HydrophobicContact CD1-CG 3.93Å; L212-E234 HydrophobicContact CD2-CB 4.42Å; L212-E234 HydrophobicContact CD2-CG 4.26Å; N230-E234 PolarHBondContact O-N 3Å; E231-E234 WeakPolarHBondContact O-CB 3.49Å; E231-E234 PolarHBondContact O-N 3Å; L232-E234 VanDerWaalsContact C-N 3.32Å; E234-L236 PolarHBondContact O-N 3.33Å; E234-R237 VanDerWaalsContact CD-NH2 3.29Å; E234-R237 WeakPolarHBondContact O-CB 3.31Å; E234-R237 PolarHBondContact O-N 3.5Å; E234-R237 VanDerWaalsContact O-N 3.14Å; E234-R237 IonicContact OE1-CZ 3.04Å; E234-R237 IonicContact OE1-NE 2.78Å; E234-R237 IonicContact OE1-NH2 3.44Å; E234-R237 PolarHBondContact OE1-NH2 3.15Å; E234-R237 IonicContact OE2-CZ 2.82Å; E234-R237 IonicContact OE2-NE 2.72Å; E234-R237 PolarHBondContact OE2-NE 2.91Å; E234-R237 IonicContact OE2-NH2 3.29Å; E234-R237 PolarHBondContact OE2-NH2 3.3Å; E234-L238 PolarHBondContact O-N 3.47Å
235C94.6Very high95.5Very high0 Ų061.8 Ų61.80%030%0.299CS..Hα-helixtrans-57.5-48.8173.7-1780000111.9L212 E231 L232 R237 L238 D239 C245L212-C235 HydrophobicContact CB-CB 4Å; L212-C235 HydrophobicContact CD1-CB 4.27Å; E231-C235 PolarHBondContact O-N 3.45Å; L232-C235 PolarHBondContact O-N 3.4Å; C235-R237 PolarHBondContact O-N 3.44Å; C235-L238 WeakPolarHBondContact O-CB 3.32Å; C235-L238 PolarHBondContact O-N 3.08Å; C235-L238 VanDerWaalsContact O-N 3.12Å; C235-D239 PolarHBondContact O-N 3.04Å; C235-C245 HydrophobicContact CB-CB 3.85Å; C235-C245 WeakPolarHBondContact CB-SG 3.39Å; C235-C245 WeakPolarHBondContact SG-CB 3.28Å; C235-C245 CovalentContact SG-SG 2.02Å; C235-C245 PolarHBondContact SG-SG 3.04Å
236L95.4Very high95.4Very high24 Ų2464.6 Ų64.613%0.12631%0.313CS..Hα-helixtrans-70.2-19.5179.2-68.9170.6000113.3L232 R233 E234 L238 D239 Q240 C245 L246 Y249L232-L236 WeakPolarHBondContact O-CB 3.5Å; L232-L236 WeakPolarHBondContact O-CG 3.37Å; L232-L236 PolarHBondContact O-N 3.47Å; R233-L236 PolarHBondContact O-N 3.39Å; E234-L236 PolarHBondContact O-N 3.33Å; L236-L238 VanDerWaalsContact C-N 3.34Å; L236-D239 WeakPolarHBondContact CA-O 3.35Å; L236-D239 CarbonylContact O-C 3.06Å; L236-D239 VanDerWaalsContact O-C 3.22Å; L236-Q240 VanDerWaalsContact O-CA 3.24Å; L236-Q240 WeakPolarHBondContact O-CA 3.5Å; L236-Q240 WeakPolarHBondContact O-CG 3.47Å; L236-Q240 PolarHBondContact O-N 3.05Å; L236-Q240 VanDerWaalsContact O-N 3.15Å; L236-C245 HydrophobicContact CD2-CB 3.96Å; L236-C245 HydrophobicContact CG-CB 4.17Å; L236-L246 HydrophobicContact CD1-CD1 4.41Å; L236-L246 HydrophobicContact CD2-CB 3.98Å; L236-L246 HydrophobicContact CD2-CD1 4.45Å; L236-Y249 HydrophobicContact CD1-CD1 4.1Å; L236-Y249 HydrophobicContact CD1-CG 3.95Å
237R94.4Very high95.4Very high153 Ų15366.3 Ų66.358%0.57733%0.327SS*.Hα-helixtrans-71.8-32.4171.8-171-177.666.871.5-2.6111.2R233 E234 C235R233-R237 WeakPolarHBondContact O-CB 3.45Å; R233-R237 PolarHBondContact O-N 3.28Å; E234-R237 VanDerWaalsContact CD-NH2 3.29Å; E234-R237 WeakPolarHBondContact O-CB 3.31Å; E234-R237 PolarHBondContact O-N 3.5Å; E234-R237 VanDerWaalsContact O-N 3.14Å; E234-R237 IonicContact OE1-CZ 3.04Å; E234-R237 IonicContact OE1-NE 2.78Å; E234-R237 IonicContact OE1-NH2 3.44Å; E234-R237 PolarHBondContact OE1-NH2 3.15Å; E234-R237 IonicContact OE2-CZ 2.82Å; E234-R237 IonicContact OE2-NE 2.72Å; E234-R237 PolarHBondContact OE2-NE 2.91Å; E234-R237 IonicContact OE2-NH2 3.29Å; E234-R237 PolarHBondContact OE2-NH2 3.3Å; C235-R237 PolarHBondContact O-N 3.44Å
238L91.6Very high95.6Very high62 Ų6263.5 Ų63.533%0.32531%0.314SS..Hα-helixtrans-73.4-42.1174.5-62.2176.1000111.5R209 L212 E234 C235 L236R209-L238 HydrophobicContact CG-CB 3.72Å; R209-L238 HydrophobicContact CG-CD1 3.84Å; R209-L238 HydrophobicContact CG-CG 4.43Å; L212-L238 HydrophobicContact CD1-CD1 3.65Å; E234-L238 PolarHBondContact O-N 3.47Å; C235-L238 WeakPolarHBondContact O-CB 3.32Å; C235-L238 PolarHBondContact O-N 3.08Å; C235-L238 VanDerWaalsContact O-N 3.12Å; L236-L238 VanDerWaalsContact C-N 3.34Å
239D92.8Very high95.6Very high52 Ų5265.7 Ų65.728%0.27832%0.322SS..  trans-146.2110.9172.8-177.6-4.9000110.4R209 C235 L236 D241 D242R209-D239 VanDerWaalsContact CD-CB 3.44Å; R209-D239 IonicContact CZ-OD2 3.84Å; R209-D239 IonicContact NH1-OD2 2.96Å; R209-D239 PolarHBondContact NH1-OD2 2.9Å; C235-D239 PolarHBondContact O-N 3.04Å; L236-D239 WeakPolarHBondContact CA-O 3.35Å; L236-D239 CarbonylContact O-C 3.06Å; L236-D239 VanDerWaalsContact O-C 3.22Å; D239-D241 PolarHBondContact O-N 3.1Å; D239-D241 PolarHBondContact OD1-N 3.14Å; D239-D242 HydrophobicContact CB-CB 4.15Å; D239-D242 WeakPolarHBondContact O-CB 3.44Å; D239-D242 PolarHBondContact O-N 3.06Å; D239-D242 PolarHBondContact OD1-N 3.25Å
240Q93.1Very high95.6Very high153 Ų15371.3 Ų71.372%0.71535%0.346SS*.THydrogen-bonded Turntrans-67.6-22.5-176.7-65.2-17922.900112.8L236L236-Q240 VanDerWaalsContact O-CA 3.24Å; L236-Q240 WeakPolarHBondContact O-CA 3.5Å; L236-Q240 WeakPolarHBondContact O-CG 3.47Å; L236-Q240 PolarHBondContact O-N 3.05Å; L236-Q240 VanDerWaalsContact O-N 3.15Å
241D93.4Very high95.7Very high135 Ų13571.9 Ų71.972%0.72235%0.345SS*.THydrogen-bonded Turntrans-101.66.6-177-68.4-42.5000112.7D239 K243D239-D241 PolarHBondContact O-N 3.1Å; D239-D241 PolarHBondContact OD1-N 3.14Å; D241-K243 PolarHBondContact O-N 3.41Å
242D95.2Very high95.8Very high26 Ų2669.8 Ų69.814%0.13934%0.335CS..  trans-59.4107.2176.8-169.1-65.9000110.5R209 D239 A244 C245 L246R209-D242 IonicContact CZ-OD2 3.2Å; R209-D242 IonicContact NH1-OD2 3.7Å; R209-D242 PolarHBondContact NH1-OD2 3.24Å; D239-D242 HydrophobicContact CB-CB 4.15Å; D239-D242 WeakPolarHBondContact O-CB 3.44Å; D239-D242 PolarHBondContact O-N 3.06Å; D239-D242 PolarHBondContact OD1-N 3.25Å; D242-A244 VanDerWaalsContact C-N 3.28Å; D242-A244 PolarHBondContact O-N 2.98Å; D242-A244 PolarHBondContact OD1-N 3.15Å; D242-C245 HydrophobicContact CB-CB 4.15Å; D242-C245 PolarHBondContact O-N 3.44Å; D242-C245 PolarHBondContact OD1-N 2.99Å; D242-L246 WeakPolarHBondContact O-CB 3.5Å; D242-L246 PolarHBondContact O-N 3.37Å
243K96.4Very high95.9Very high182 Ų18270.9 Ų70.979%0.79134%0.341SS*.Hα-helixtrans-62.8-35.8-173-66.7-179-178.2174.40112.3D241 S247D241-K243 PolarHBondContact O-N 3.41Å; K243-S247 WeakPolarHBondContact O-CB 3.38Å; K243-S247 PolarHBondContact O-N 3.24Å
244A96.7Very high96Very high51 Ų5171.7 Ų71.742%0.42135%0.348SS..Hα-helixtrans-73.2-49.3-176.300000110.1L213 D242 L246 S247 F248L213-A244 HydrophobicContact CD2-CB 3.57Å; D242-A244 VanDerWaalsContact C-N 3.28Å; D242-A244 PolarHBondContact O-N 2.98Å; D242-A244 PolarHBondContact OD1-N 3.15Å; A244-L246 PolarHBondContact O-N 2.95Å; A244-S247 PolarHBondContact O-N 3.48Å; A244-F248 WeakPolarHBondContact O-CB 3.27Å; A244-F248 PolarHBondContact O-N 3.4Å
245C96.8Very high96.2Very high0 Ų068.2 Ų68.20%033%0.331CS..Hα-helixtrans-63.3-40.6174.6-74.90000112.2L232 C235 L236 D242 F248 Y249L232-C245 HydrophobicContact CD2-CB 4.33Å; C235-C245 HydrophobicContact CB-CB 3.85Å; C235-C245 WeakPolarHBondContact CB-SG 3.39Å; C235-C245 WeakPolarHBondContact SG-CB 3.28Å; C235-C245 CovalentContact SG-SG 2.02Å; C235-C245 PolarHBondContact SG-SG 3.04Å; L236-C245 HydrophobicContact CD2-CB 3.96Å; L236-C245 HydrophobicContact CG-CB 4.17Å; D242-C245 HydrophobicContact CB-CB 4.15Å; D242-C245 PolarHBondContact O-N 3.44Å; D242-C245 PolarHBondContact OD1-N 2.99Å; C245-F248 PolarHBondContact O-N 3.14Å; C245-Y249 WeakPolarHBondContact O-CB 3.45Å; C245-Y249 PolarHBondContact O-N 3.08Å
246L97.8Very high96.4Very high59 Ų5968.4 Ų68.431%0.30933%0.333SS..Hα-helixtrans-67-43.2179.8-176.962.3000112.1L236 D242 A244 K250L236-L246 HydrophobicContact CD1-CD1 4.41Å; L236-L246 HydrophobicContact CD2-CB 3.98Å; L236-L246 HydrophobicContact CD2-CD1 4.45Å; D242-L246 WeakPolarHBondContact O-CB 3.5Å; D242-L246 PolarHBondContact O-N 3.37Å; A244-L246 PolarHBondContact O-N 2.95Å; L246-K250 WeakPolarHBondContact O-CG 3.47Å; L246-K250 PolarHBondContact O-N 3.5Å; L246-K250 VanDerWaalsContact O-N 3.12Å
247S97.9Very high96.6Very high83 Ų8373.5 Ų73.558%0.5835%0.354SS*.Hα-helixtrans-61.9-48.8176.8-176.40000110.7K243 A244 K250 K251K243-S247 WeakPolarHBondContact O-CB 3.38Å; K243-S247 PolarHBondContact O-N 3.24Å; A244-S247 PolarHBondContact O-N 3.48Å; S247-K250 PolarHBondContact O-N 2.69Å; S247-K251 PolarHBondContact O-N 3.44Å
248F98.1Very high96.7Very high30 Ų3066.3 Ų66.313%0.13233%0.328CS..Hα-helixtrans-67.7-41.7-178.8-164.4-124.9000111.9L213 Q217 Y220 L232 A244 C245 K250 K251 V252L213-F248 HydrophobicContact CD1-CB 3.96Å; L213-F248 HydrophobicContact CD1-CD1 3.87Å; L213-F248 HydrophobicContact CD1-CG 4.19Å; Q217-F248 HydrophobicContact CB-CE1 4.25Å; Q217-F248 HydrophobicContact CB-CZ 4.27Å; Q217-F248 HydrophobicContact CG-CD1 4.08Å; Q217-F248 HydrophobicContact CG-CE1 3.61Å; Q217-F248 HydrophobicContact CG-CE2 4.3Å; Q217-F248 HydrophobicContact CG-CZ 3.74Å; Y220-F248 HydrophobicContact CD1-CE2 4.44Å; Y220-F248 HydrophobicContact CD1-CZ 4.12Å; Y220-F248 AromaticContact CG-CZ 3.95Å; Y220-F248 HydrophobicContact CG-CZ 3.95Å; L232-F248 HydrophobicContact CD1-CD1 3.61Å; L232-F248 HydrophobicContact CD1-CE1 4.12Å; L232-F248 HydrophobicContact CD1-CG 4.41Å; L232-F248 HydrophobicContact CD2-CB 4.37Å; L232-F248 HydrophobicContact CD2-CD1 3.83Å; L232-F248 HydrophobicContact CG-CD1 4.28Å; A244-F248 WeakPolarHBondContact O-CB 3.27Å; A244-F248 PolarHBondContact O-N 3.4Å; C245-F248 PolarHBondContact O-N 3.14Å; F248-K250 VanDerWaalsContact C-N 3.31Å; F248-K250 PolarHBondContact O-N 3.49Å; F248-K251 WeakPolarHBondContact O-CB 3.31Å; F248-K251 PolarHBondContact O-N 3.04Å; F248-V252 HydrophobicContact CD1-CG2 3.9Å; F248-V252 HydrophobicContact CD2-CG2 4.07Å; F248-V252 HydrophobicContact CE1-CG2 3.57Å; F248-V252 HydrophobicContact CE2-CG2 3.78Å; F248-V252 HydrophobicContact CG-CG2 4.12Å; F248-V252 HydrophobicContact CZ-CG2 3.51Å; F248-V252 WeakPolarHBondContact O-CG2 3.46Å; F248-V252 PolarHBondContact O-N 3.31Å
249Y98.4Very high97.1Very high47 Ų4764.2 Ų64.218%0.18432%0.316CS..Hα-helixtrans-55-44.6173.7-180-106000112.2T229 L232 R233 L236 C245 K251 V252 N253T229-Y249 HydrophobicContact CG2-CE2 4.45Å; L232-Y249 HydrophobicContact CB-CD2 3.76Å; L232-Y249 HydrophobicContact CB-CG 4.41Å; L232-Y249 HydrophobicContact CD1-CD2 4.49Å; R233-Y249 HydrophobicContact CG-CE2 3.84Å; R233-Y249 PolarHBondContact NE-OH 3.25Å; L236-Y249 HydrophobicContact CD1-CD1 4.1Å; L236-Y249 HydrophobicContact CD1-CG 3.95Å; C245-Y249 WeakPolarHBondContact O-CB 3.45Å; C245-Y249 PolarHBondContact O-N 3.08Å; Y249-K251 VanDerWaalsContact C-N 3.29Å; Y249-K251 PolarHBondContact O-N 3.06Å; Y249-V252 PolarHBondContact O-N 3.03Å; Y249-N253 HydrophobicContact CD2-CB 4.45Å; Y249-N253 HydrophobicContact CE1-CB 4.35Å; Y249-N253 HydrophobicContact CE2-CB 4.24Å; Y249-N253 WeakPolarHBondContact O-CB 3.32Å; Y249-N253 PolarHBondContact O-N 2.85Å
250K97.8Very high97.4Very high122 Ų12264.4 Ų64.453%0.5332%0.319SS..Hα-helixtrans-60.9-37.4177.8-74.1171.1-176.31740112.7L246 S247 F248L246-K250 WeakPolarHBondContact O-CG 3.47Å; L246-K250 PolarHBondContact O-N 3.5Å; L246-K250 VanDerWaalsContact O-N 3.12Å; S247-K250 PolarHBondContact O-N 2.69Å; F248-K250 VanDerWaalsContact C-N 3.31Å; F248-K250 PolarHBondContact O-N 3.49Å
251K97.1Very high97.6Very high96 Ų9658.2 Ų58.242%0.41730%0.295SS..Hα-helixtrans-67.7-60174.7-178.7-174173.6-170.20110.1Y220 S247 F248 Y249 N253 K254 E285Y220-K251 WeakPolarHBondContact OH-CE 3.33Å; S247-K251 PolarHBondContact O-N 3.44Å; F248-K251 WeakPolarHBondContact O-CB 3.31Å; F248-K251 PolarHBondContact O-N 3.04Å; Y249-K251 VanDerWaalsContact C-N 3.29Å; Y249-K251 PolarHBondContact O-N 3.06Å; K251-N253 VanDerWaalsContact C-N 3.33Å; K251-N253 PolarHBondContact O-N 3.14Å; K251-K254 PolarHBondContact O-N 3.07Å; K251-E285 VanDerWaalsContact CE-OE2 3.27Å; K251-E285 WeakPolarHBondContact CE-OE2 3.31Å; K251-E285 IonicContact NZ-OE2 2.64Å; K251-E285 PolarHBondContact NZ-OE2 3.36Å
252V98.2Very high97.9Very high0 Ų051.9 Ų51.90%026%0.261CS..Hα-helixtrans-60.7-40.9-173.3177.50000111.9Y220 A225 A228 T229 L232 F248 Y249 K254 V255 A256Y220-V252 HydrophobicContact CD2-CB 4.09Å; Y220-V252 HydrophobicContact CD2-CG1 3.78Å; Y220-V252 HydrophobicContact CD2-CG2 3.54Å; Y220-V252 HydrophobicContact CE2-CB 4.31Å; Y220-V252 HydrophobicContact CE2-CG1 4.27Å; Y220-V252 HydrophobicContact CE2-CG2 3.93Å; Y220-V252 HydrophobicContact CG-CG2 3.96Å; A225-V252 HydrophobicContact CB-CG1 4.18Å; A225-V252 WeakPolarHBondContact O-CG1 3.35Å; A228-V252 HydrophobicContact CB-CG1 3.97Å; T229-V252 HydrophobicContact CG2-CB 4.49Å; T229-V252 HydrophobicContact CG2-CG1 3.74Å; L232-V252 HydrophobicContact CD1-CB 4.05Å; L232-V252 HydrophobicContact CD1-CG1 4.37Å; L232-V252 HydrophobicContact CD1-CG2 3.99Å; F248-V252 HydrophobicContact CD1-CG2 3.9Å; F248-V252 HydrophobicContact CD2-CG2 4.07Å; F248-V252 HydrophobicContact CE1-CG2 3.57Å; F248-V252 HydrophobicContact CE2-CG2 3.78Å; F248-V252 HydrophobicContact CG-CG2 4.12Å; F248-V252 HydrophobicContact CZ-CG2 3.51Å; F248-V252 WeakPolarHBondContact O-CG2 3.46Å; F248-V252 PolarHBondContact O-N 3.31Å; Y249-V252 PolarHBondContact O-N 3.03Å; V252-K254 VanDerWaalsContact C-N 3.27Å; V252-K254 PolarHBondContact O-N 3.13Å; V252-V255 PolarHBondContact O-N 2.96Å; V252-V255 VanDerWaalsContact O-N 3.16Å; V252-A256 WeakPolarHBondContact O-CB 3.43Å; V252-A256 PolarHBondContact O-N 3.28Å
253N98.3Very high98Very high24 Ų2454.8 Ų54.813%0.12827%0.274CS..Hα-helixtrans-64.5-27-177.3-17451.4000113.4T229 Y249 K251 K257T229-N253 HydrophobicContact CG2-CB 4.16Å; Y249-N253 HydrophobicContact CD2-CB 4.45Å; Y249-N253 HydrophobicContact CE1-CB 4.35Å; Y249-N253 HydrophobicContact CE2-CB 4.24Å; Y249-N253 WeakPolarHBondContact O-CB 3.32Å; Y249-N253 PolarHBondContact O-N 2.85Å; K251-N253 VanDerWaalsContact C-N 3.33Å; K251-N253 PolarHBondContact O-N 3.14Å; N253-K257 WeakPolarHBondContact ND2-CE 3.26Å; N253-K257 WeakPolarHBondContact O-CB 3.41Å; N253-K257 WeakPolarHBondContact O-CG 3.49Å; N253-K257 PolarHBondContact O-N 3.31Å
254K98.2Very high98.1Very high131 Ų13151.2 Ų51.257%0.5726%0.26SS*.Hα-helixtrans-67.5-46.9173.8-69.3177.5-176.2-179.20110.9K251 V252 K257 A258 L284K251-K254 PolarHBondContact O-N 3.07Å; V252-K254 VanDerWaalsContact C-N 3.27Å; V252-K254 PolarHBondContact O-N 3.13Å; K254-K257 PolarHBondContact O-N 2.93Å; K254-A258 PolarHBondContact O-N 3.04Å; K254-A258 VanDerWaalsContact O-N 3.08Å; K254-L284 HydrophobicContact CB-CD1 4.22Å; K254-L284 HydrophobicContact CB-CD2 4.12Å; K254-L284 HydrophobicContact CD-CD2 4.39Å
255V98.3Very high98.2Very high2 Ų248.9 Ų48.91%0.01224%0.24CC..Hα-helixtrans-63.8-47.9177.9-177.20000110.3Y220 A225 V252 K257 A258 I259 L284 E285 Y291Y220-V255 HydrophobicContact CE2-CB 4.3Å; Y220-V255 HydrophobicContact CE2-CG2 4.2Å; A225-V255 HydrophobicContact CB-CB 4.28Å; A225-V255 HydrophobicContact CB-CG1 4Å; V252-V255 PolarHBondContact O-N 2.96Å; V252-V255 VanDerWaalsContact O-N 3.16Å; V255-K257 VanDerWaalsContact C-N 3.31Å; V255-K257 PolarHBondContact O-N 3.47Å; V255-A258 PolarHBondContact O-N 3.19Å; V255-A258 VanDerWaalsContact O-N 3.1Å; V255-I259 HydrophobicContact CG1-CD1 3.86Å; V255-I259 HydrophobicContact CG1-CG1 4.48Å; V255-I259 WeakPolarHBondContact O-CG1 3.44Å; V255-I259 PolarHBondContact O-N 3.04Å; V255-L284 HydrophobicContact CG2-CB 3.97Å; V255-E285 HydrophobicContact CG2-CB 4.16Å; V255-Y291 HydrophobicContact CG1-CD1 3.83Å; V255-Y291 HydrophobicContact CG1-CE1 3.77Å; V255-Y291 HydrophobicContact CG1-CG 4.39Å
256A98.6Very high98.3Very high4 Ų450 Ų503%0.03325%0.246CC..Hα-helixtrans-57.8-40.5177.500000113A225 V226 T229 V252 I259 T260A225-A256 HydrophobicContact CB-CB 4.24Å; V226-A256 HydrophobicContact CG2-CB 4.11Å; T229-A256 HydrophobicContact CG2-CB 3.51Å; V252-A256 WeakPolarHBondContact O-CB 3.43Å; V252-A256 PolarHBondContact O-N 3.28Å; A256-I259 PolarHBondContact O-N 3.49Å; A256-T260 WeakPolarHBondContact O-CB 3.49Å; A256-T260 PolarHBondContact O-N 2.92Å; A256-T260 PolarHBondContact O-OG1 3.3Å
257K98.5Very high98.3Very high132 Ų13253.7 Ų53.757%0.57426%0.262SS*.Hα-helixtrans-65.5-41.3174.9-79.2178176.4-1720112.5N253 K254 V255 T260 A261N253-K257 WeakPolarHBondContact ND2-CE 3.26Å; N253-K257 WeakPolarHBondContact O-CB 3.41Å; N253-K257 WeakPolarHBondContact O-CG 3.49Å; N253-K257 PolarHBondContact O-N 3.31Å; K254-K257 PolarHBondContact O-N 2.93Å; V255-K257 VanDerWaalsContact C-N 3.31Å; V255-K257 PolarHBondContact O-N 3.47Å; K257-T260 PolarHBondContact O-N 3.3Å; K257-A261 VanDerWaalsContact O-CB 3.26Å; K257-A261 WeakPolarHBondContact O-CB 3.16Å; K257-A261 PolarHBondContact O-N 3.36Å
258A98.5Very high98.3Very high2 Ų252.3 Ų52.32%0.01726%0.256CS..Hα-helixtrans-64.3-41.8176.300000111.6K254 V255 T262 E280 I281 L284K254-A258 PolarHBondContact O-N 3.04Å; K254-A258 VanDerWaalsContact O-N 3.08Å; V255-A258 PolarHBondContact O-N 3.19Å; V255-A258 VanDerWaalsContact O-N 3.1Å; A258-T262 WeakPolarHBondContact O-CB 3.43Å; A258-T262 PolarHBondContact O-N 3Å; A258-T262 PolarHBondContact O-OG1 2.02Å; A258-E280 HydrophobicContact CB-CB 4.46Å; A258-E280 HydrophobicContact CB-CG 4.48Å; A258-I281 HydrophobicContact CB-CG1 3.78Å; A258-L284 HydrophobicContact CB-CD1 3.83Å
259I98.6Very high98.3Very high18 Ų1857.5 Ų57.59%0.09228%0.28CS..Hα-helixtrans-59.6-51.5173.8-70165.2000110.9A225 V226 V255 A256 A261 T262 Q263 I281 Y291A225-I259 HydrophobicContact CB-CD1 3.93Å; V226-I259 HydrophobicContact CG2-CB 4.21Å; V226-I259 HydrophobicContact CG2-CG2 3.84Å; V255-I259 HydrophobicContact CG1-CD1 3.86Å; V255-I259 HydrophobicContact CG1-CG1 4.48Å; V255-I259 WeakPolarHBondContact O-CG1 3.44Å; V255-I259 PolarHBondContact O-N 3.04Å; A256-I259 PolarHBondContact O-N 3.49Å; I259-A261 PolarHBondContact O-N 3.4Å; I259-T262 WeakPolarHBondContact O-CB 3.42Å; I259-T262 PolarHBondContact O-N 2.77Å; I259-Q263 PolarHBondContact O-N 2.89Å; I259-I281 HydrophobicContact CB-CD1 4.46Å; I259-I281 HydrophobicContact CG1-CD1 3.75Å; I259-I281 HydrophobicContact CG1-CG1 4.11Å; I259-Y291 HydrophobicContact CD1-CD1 3.98Å; I259-Y291 HydrophobicContact CD1-CE1 3.82Å
260T98.6Very high98.3Very high55 Ų5560.7 Ų60.734%0.33729%0.292SS..Hα-helixtrans-60.7-46.8-179.2-53.30000111A256 K257 T262 Q263 E264A256-T260 WeakPolarHBondContact O-CB 3.49Å; A256-T260 PolarHBondContact O-N 2.92Å; A256-T260 PolarHBondContact O-OG1 3.3Å; K257-T260 PolarHBondContact O-N 3.3Å; T260-T262 VanDerWaalsContact C-N 3.29Å; T260-T262 PolarHBondContact O-N 3.44Å; T260-Q263 PolarHBondContact O-N 2.89Å; T260-E264 HydrophobicContact CG2-CG 4.41Å; T260-E264 WeakPolarHBondContact O-CG 3.4Å; T260-E264 PolarHBondContact O-N 3.45Å
261A98.6Very high98.3Very high24 Ų2457.2 Ų57.220%0.19828%0.276CS..Hα-helixtrans-65.1-30.6178.300000113.2K257 I259 A265 K277K257-A261 VanDerWaalsContact O-CB 3.26Å; K257-A261 WeakPolarHBondContact O-CB 3.16Å; K257-A261 PolarHBondContact O-N 3.36Å; I259-A261 PolarHBondContact O-N 3.4Å; A261-A265 VanDerWaalsContact O-CB 3.25Å; A261-A265 WeakPolarHBondContact O-CB 3.07Å; A261-A265 PolarHBondContact O-N 3.17Å; A261-K277 HydrophobicContact CB-CB 4.49Å; A261-K277 HydrophobicContact CB-CD 4.09Å; A261-K277 HydrophobicContact CB-CG 4.04Å
262T98.7Very high98.4Very high2 Ų256.1 Ų56.11%0.01228%0.28CS..Hα-helixtrans-65.9-48.5173.6-59.30000110.3A258 I259 T260 A265 L266 K277 A278A258-T262 WeakPolarHBondContact O-CB 3.43Å; A258-T262 PolarHBondContact O-N 3Å; A258-T262 PolarHBondContact O-OG1 2.02Å; I259-T262 WeakPolarHBondContact O-CB 3.42Å; I259-T262 PolarHBondContact O-N 2.77Å; T260-T262 VanDerWaalsContact C-N 3.29Å; T260-T262 PolarHBondContact O-N 3.44Å; T262-A265 PolarHBondContact O-N 3.48Å; T262-L266 WeakPolarHBondContact O-CB 3.39Å; T262-L266 PolarHBondContact O-N 2.89Å; T262-K277 VanDerWaalsContact OG1-CB 3.27Å; T262-K277 WeakPolarHBondContact OG1-CB 3.33Å; T262-K277 PolarHBondContact OG1-O 2.88Å; T262-A278 HydrophobicContact CG2-CB 3.78Å; T262-A278 PolarHBondContact OG1-N 3.07Å; T262-A278 VanDerWaalsContact OG1-N 3.17Å
263Q98.3Very high98.4Very high87 Ų8758.7 Ų58.741%0.40729%0.294SS..Hα-helixtrans-63-47178.9-174.560.827.600111.7I259 T260 A265 L266 E267I259-Q263 PolarHBondContact O-N 2.89Å; T260-Q263 PolarHBondContact O-N 2.89Å; Q263-A265 VanDerWaalsContact C-N 3.3Å; Q263-A265 PolarHBondContact O-N 3.4Å; Q263-L266 PolarHBondContact O-N 3.29Å; Q263-L266 VanDerWaalsContact O-N 3.16Å; Q263-E267 WeakPolarHBondContact CG-OE1 3.35Å; Q263-E267 PolarHBondContact NE2-OE1 2.85Å; Q263-E267 WeakPolarHBondContact O-CG 3.44Å; Q263-E267 PolarHBondContact O-N 3.21Å
264E98.6Very high98.4Very high107 Ų10757.6 Ų57.650%0.529%0.288SS..Hα-helixtrans-60.3-38.1176.4-72.1172.9173.400112.5T260 A268T260-E264 HydrophobicContact CG2-CG 4.41Å; T260-E264 WeakPolarHBondContact O-CG 3.4Å; T260-E264 PolarHBondContact O-N 3.45Å; E264-A268 WeakPolarHBondContact O-CB 3.27Å; E264-A268 PolarHBondContact O-N 3.32Å; E264-A268 VanDerWaalsContact O-N 3.08Å
265A98.7Very high98.4Very high1 Ų152.9 Ų52.91%0.00827%0.269CS..Hα-helixtrans-70.7-37176.400000112A261 T262 Q263 E269 R270 D273 C274A261-A265 VanDerWaalsContact O-CB 3.25Å; A261-A265 WeakPolarHBondContact O-CB 3.07Å; A261-A265 PolarHBondContact O-N 3.17Å; T262-A265 PolarHBondContact O-N 3.48Å; Q263-A265 VanDerWaalsContact C-N 3.3Å; Q263-A265 PolarHBondContact O-N 3.4Å; A265-E269 PolarHBondContact O-N 2.87Å; A265-R270 PolarHBondContact O-N 3.41Å; A265-D273 HydrophobicContact CB-CB 4.06Å; A265-C274 HydrophobicContact CB-CB 3.95Å
266L98Very high98.4Very high25 Ų2559.2 Ų59.213%0.13130%0.296CS..Hα-helixtrans-66-48.1176175.663000111.4T262 Q263 A268 E269 Y271 C302T262-L266 WeakPolarHBondContact O-CB 3.39Å; T262-L266 PolarHBondContact O-N 2.89Å; Q263-L266 PolarHBondContact O-N 3.29Å; Q263-L266 VanDerWaalsContact O-N 3.16Å; L266-A268 VanDerWaalsContact C-N 3.29Å; L266-A268 PolarHBondContact O-N 3.26Å; L266-E269 PolarHBondContact O-N 3.16Å; L266-Y271 HydrophobicContact CD1-CD1 4.36Å; L266-Y271 HydrophobicContact CD1-CE1 4.08Å; L266-C302 VanDerWaalsContact CD1-SG 3.54Å
267E98.1Very high98.4Very high135 Ų13562.7 Ų62.763%0.63131%0.31SS*.Hα-helixtrans-63.2-35.3177.6-72.5173.5-174.200112.6Q263 E269Q263-E267 WeakPolarHBondContact CG-OE1 3.35Å; Q263-E267 PolarHBondContact NE2-OE1 2.85Å; Q263-E267 WeakPolarHBondContact O-CG 3.44Å; Q263-E267 PolarHBondContact O-N 3.21Å; E267-E269 PolarHBondContact O-N 2.88Å
268A98.3Very high98.4Very high55 Ų5556.4 Ų56.446%0.45528%0.283SS..THydrogen-bonded Turntrans-81.67.1174.400000113.7E264 L266 R270E264-A268 WeakPolarHBondContact O-CB 3.27Å; E264-A268 PolarHBondContact O-N 3.32Å; E264-A268 VanDerWaalsContact O-N 3.08Å; L266-A268 VanDerWaalsContact C-N 3.29Å; L266-A268 PolarHBondContact O-N 3.26Å; A268-R270 HydrophobicContact CB-CG 4.33Å; A268-R270 PolarHBondContact O-N 3.26Å
269E98.1Very high98.3Very high138 Ų13857.7 Ų57.765%0.64529%0.294SS*.THydrogen-bonded Turntrans5522.2-177.6-56.5-174.6171.900114.4A265 L266 E267 Y271A265-E269 PolarHBondContact O-N 2.87Å; L266-E269 PolarHBondContact O-N 3.16Å; E267-E269 PolarHBondContact O-N 2.88Å; E269-Y271 VanDerWaalsContact C-N 3.27Å; E269-Y271 HydrophobicContact CB-CE1 4.49Å; E269-Y271 HydrophobicContact CB-CE2 4.13Å; E269-Y271 WeakPolarHBondContact O-CD2 3.45Å; E269-Y271 PolarHBondContact O-N 3.16Å
270R98.4Very high98.3Very high115 Ų11560.2 Ų60.243%0.43431%0.305SS..  trans-86.166.3175.6-68.6-176.2-66.7120.20.1110.2A265 A268 S272 D273 C274A265-R270 PolarHBondContact O-N 3.41Å; A268-R270 HydrophobicContact CB-CG 4.33Å; A268-R270 PolarHBondContact O-N 3.26Å; R270-S272 VanDerWaalsContact C-N 3.28Å; R270-S272 PolarHBondContact O-N 2.9Å; R270-D273 HydrophobicContact CB-CB 4.25Å; R270-D273 IonicContact CZ-OD2 2.76Å; R270-D273 IonicContact NH1-OD2 3.03Å; R270-D273 PolarHBondContact NH1-OD2 3.16Å; R270-D273 WeakPolarHBondContact O-CB 3.16Å; R270-D273 PolarHBondContact O-N 3.42Å; R270-C274 PolarHBondContact O-N 3.41Å
271Y98.3Very high98.3Very high49 Ų4957.6 Ų57.619%0.19229%0.289CS..Hα-helixtrans-60-32.6-169.9-54.9-59.5000114.6L266 E269 D273 C274 I275 C302 K305L266-Y271 HydrophobicContact CD1-CD1 4.36Å; L266-Y271 HydrophobicContact CD1-CE1 4.08Å; E269-Y271 VanDerWaalsContact C-N 3.27Å; E269-Y271 HydrophobicContact CB-CE1 4.49Å; E269-Y271 HydrophobicContact CB-CE2 4.13Å; E269-Y271 WeakPolarHBondContact O-CD2 3.45Å; E269-Y271 PolarHBondContact O-N 3.16Å; Y271-D273 VanDerWaalsContact C-N 3.3Å; Y271-D273 PolarHBondContact O-N 3.45Å; Y271-C274 WeakPolarHBondContact O-CB 3.49Å; Y271-C274 PolarHBondContact O-N 2.86Å; Y271-I275 WeakPolarHBondContact O-CD1 3.49Å; Y271-I275 VanDerWaalsContact O-CG1 3.27Å; Y271-I275 WeakPolarHBondContact O-CG1 3.5Å; Y271-I275 PolarHBondContact O-N 3.44Å; Y271-C302 HydrophobicContact CD1-CB 4.48Å; Y271-K305 HydrophobicContact CD1-CB 3.71Å; Y271-K305 HydrophobicContact CD2-CB 3.79Å; Y271-K305 HydrophobicContact CE1-CB 3.47Å; Y271-K305 VanDerWaalsContact CE1-CB 3.47Å; Y271-K305 HydrophobicContact CE1-CG 3.91Å; Y271-K305 HydrophobicContact CE2-CB 3.55Å; Y271-K305 HydrophobicContact CE2-CG 4.49Å; Y271-K305 HydrophobicContact CG-CB 3.87Å
272S97.8Very high98.1Very high72 Ų7259 Ų5950%0.50330%0.295SS..Hα-helixtrans-63.8-36.5174.858.70000112.8R270 K276R270-S272 VanDerWaalsContact C-N 3.28Å; R270-S272 PolarHBondContact O-N 2.9Å; S272-K276 WeakPolarHBondContact O-CG 3.48Å; S272-K276 PolarHBondContact O-N 2.92Å
273D98.2Very high98Very high55 Ų5567.3 Ų67.329%0.29433%0.331SS..Hα-helixtrans-76.1-40.2176.8-66.8-17.2000110.1A265 R270 Y271 I275 K276 K277A265-D273 HydrophobicContact CB-CB 4.06Å; R270-D273 HydrophobicContact CB-CB 4.25Å; R270-D273 IonicContact CZ-OD2 2.76Å; R270-D273 IonicContact NH1-OD2 3.03Å; R270-D273 PolarHBondContact NH1-OD2 3.16Å; R270-D273 WeakPolarHBondContact O-CB 3.16Å; R270-D273 PolarHBondContact O-N 3.42Å; Y271-D273 VanDerWaalsContact C-N 3.3Å; Y271-D273 PolarHBondContact O-N 3.45Å; D273-I275 VanDerWaalsContact C-N 3.34Å; D273-I275 PolarHBondContact O-N 2.92Å; D273-K276 PolarHBondContact O-N 3.09Å; D273-K277 WeakPolarHBondContact O-CB 3.36Å; D273-K277 WeakPolarHBondContact O-CG 3.45Å; D273-K277 PolarHBondContact O-N 3.17Å
274C98.6Very high97.9Very high0 Ų066.1 Ų66.10%033%0.327CS..Hα-helixtrans-54.5-49.3173.1172.20000111.5A265 R270 Y271 K276 K277 A278 C302A265-C274 HydrophobicContact CB-CB 3.95Å; R270-C274 PolarHBondContact O-N 3.41Å; Y271-C274 WeakPolarHBondContact O-CB 3.49Å; Y271-C274 PolarHBondContact O-N 2.86Å; C274-K276 VanDerWaalsContact C-N 3.34Å; C274-K276 PolarHBondContact O-N 3.32Å; C274-K277 PolarHBondContact O-N 3.3Å; C274-A278 WeakPolarHBondContact O-CB 3.31Å; C274-A278 PolarHBondContact O-N 3.07Å; C274-C302 HydrophobicContact CB-CB 3.74Å; C274-C302 WeakPolarHBondContact CB-SG 3.48Å; C274-C302 WeakPolarHBondContact SG-CB 3.45Å; C274-C302 CovalentContact SG-SG 2.02Å; C274-C302 PolarHBondContact SG-SG 2.86Å
275I98.6Very high97.8Very high32 Ų3261.5 Ų61.516%0.16431%0.306CS..Hα-helixtrans-57.4-47.7178.5-70.2160.3000110.9Y271 D273 K277 A278 A279 L299 C302 H303 A306Y271-I275 WeakPolarHBondContact O-CD1 3.49Å; Y271-I275 VanDerWaalsContact O-CG1 3.27Å; Y271-I275 WeakPolarHBondContact O-CG1 3.5Å; Y271-I275 PolarHBondContact O-N 3.44Å; D273-I275 VanDerWaalsContact C-N 3.34Å; D273-I275 PolarHBondContact O-N 2.92Å; I275-K277 VanDerWaalsContact C-N 3.32Å; I275-K277 PolarHBondContact O-N 3.2Å; I275-A278 PolarHBondContact O-N 2.93Å; I275-A279 WeakPolarHBondContact O-CB 3.47Å; I275-A279 PolarHBondContact O-N 3.13Å; I275-L299 HydrophobicContact CB-CD2 4.49Å; I275-L299 HydrophobicContact CG2-CD2 4.1Å; I275-C302 HydrophobicContact CG1-CB 3.81Å; I275-H303 WeakPolarHBondContact CG2-NE2 3.41Å; I275-A306 HydrophobicContact CD1-CB 3.9Å
276K98.2Very high97.5Very high136 Ų13666.2 Ų66.259%0.59134%0.338SS*.Hα-helixtrans-60.5-41.9179-70.5170.1-172169.70111.8S272 D273 C274 E280S272-K276 WeakPolarHBondContact O-CG 3.48Å; S272-K276 PolarHBondContact O-N 2.92Å; D273-K276 PolarHBondContact O-N 3.09Å; C274-K276 VanDerWaalsContact C-N 3.34Å; C274-K276 PolarHBondContact O-N 3.32Å; K276-E280 PolarHBondContact O-N 3.28Å
277K98.4Very high97.2Very high76 Ų7669.8 Ų69.833%0.3337%0.365SS..Hα-helixtrans-75.3-38.3-178.5-66.5-58179-176.60113A261 T262 D273 C274 I275 E280 I281A261-K277 HydrophobicContact CB-CB 4.49Å; A261-K277 HydrophobicContact CB-CD 4.09Å; A261-K277 HydrophobicContact CB-CG 4.04Å; T262-K277 VanDerWaalsContact OG1-CB 3.27Å; T262-K277 WeakPolarHBondContact OG1-CB 3.33Å; T262-K277 PolarHBondContact OG1-O 2.88Å; D273-K277 WeakPolarHBondContact O-CB 3.36Å; D273-K277 WeakPolarHBondContact O-CG 3.45Å; D273-K277 PolarHBondContact O-N 3.17Å; C274-K277 PolarHBondContact O-N 3.3Å; I275-K277 VanDerWaalsContact C-N 3.32Å; I275-K277 PolarHBondContact O-N 3.2Å; K277-E280 VanDerWaalsContact CD-OE2 3.32Å; K277-E280 WeakPolarHBondContact CD-OE2 3.06Å; K277-E280 IonicContact NZ-OE2 3.75Å; K277-E280 PolarHBondContact NZ-OE2 3.14Å; K277-E280 VanDerWaalsContact O-CB 3.25Å; K277-E280 WeakPolarHBondContact O-CB 3.4Å; K277-E280 PolarHBondContact O-N 3.27Å; K277-E280 VanDerWaalsContact O-N 3.11Å; K277-I281 PolarHBondContact O-N 3.42Å
278A98.3Very high97.1Very high0 Ų064.2 Ų64.20%034%0.34CS..Hα-helixtrans-64.5-42.1173.900000111.3T262 C274 I275 E280 I281 L299T262-A278 HydrophobicContact CG2-CB 3.78Å; T262-A278 PolarHBondContact OG1-N 3.07Å; T262-A278 VanDerWaalsContact OG1-N 3.17Å; C274-A278 WeakPolarHBondContact O-CB 3.31Å; C274-A278 PolarHBondContact O-N 3.07Å; I275-A278 PolarHBondContact O-N 2.93Å; A278-E280 PolarHBondContact O-N 2.85Å; A278-I281 WeakPolarHBondContact O-CB 3.5Å; A278-I281 PolarHBondContact O-N 3.3Å; A278-I281 VanDerWaalsContact O-N 3.15Å; A278-L299 HydrophobicContact CB-CD2 3.8Å; A278-L299 HydrophobicContact CB-CG 3.7Å
279A97.7Very high96.8Very high30 Ų3065.6 Ų65.625%0.24834%0.344CS..Hα-helixtrans-65-26173.800000113.2I275 K283I275-A279 WeakPolarHBondContact O-CB 3.47Å; I275-A279 PolarHBondContact O-N 3.13Å; A279-K283 WeakPolarHBondContact O-CG 3.42Å; A279-K283 PolarHBondContact O-N 2.83Å
280E97.9Very high96.6Very high70 Ų7063.3 Ų63.333%0.32733%0.334SS..Hα-helixtrans-67.7-34.8173.9-165.2178.5170.500111.5A258 K276 K277 A278 V282 K283 L284A258-E280 HydrophobicContact CB-CB 4.46Å; A258-E280 HydrophobicContact CB-CG 4.48Å; K276-E280 PolarHBondContact O-N 3.28Å; K277-E280 VanDerWaalsContact CD-OE2 3.32Å; K277-E280 WeakPolarHBondContact CD-OE2 3.06Å; K277-E280 IonicContact NZ-OE2 3.75Å; K277-E280 PolarHBondContact NZ-OE2 3.14Å; K277-E280 VanDerWaalsContact O-CB 3.25Å; K277-E280 WeakPolarHBondContact O-CB 3.4Å; K277-E280 PolarHBondContact O-N 3.27Å; K277-E280 VanDerWaalsContact O-N 3.11Å; A278-E280 PolarHBondContact O-N 2.85Å; E280-V282 PolarHBondContact O-N 3.34Å; E280-K283 PolarHBondContact O-N 3.12Å; E280-L284 HydrophobicContact CG-CD1 4.03Å; E280-L284 HydrophobicContact CG-CG 4.37Å; E280-L284 VanDerWaalsContact O-CG 3.29Å; E280-L284 WeakPolarHBondContact O-CG 3.38Å; E280-L284 PolarHBondContact O-N 2.99Å
281I98.2Very high96.6Very high1 Ų157.8 Ų57.81%0.00531%0.313CS..Hα-helixtrans-57.7-51.3176.9-59.8168.1000110.4A258 I259 K277 A278 K283 L284 E285 Y291 A295A258-I281 HydrophobicContact CB-CG1 3.78Å; I259-I281 HydrophobicContact CB-CD1 4.46Å; I259-I281 HydrophobicContact CG1-CD1 3.75Å; I259-I281 HydrophobicContact CG1-CG1 4.11Å; K277-I281 PolarHBondContact O-N 3.42Å; A278-I281 WeakPolarHBondContact O-CB 3.5Å; A278-I281 PolarHBondContact O-N 3.3Å; A278-I281 VanDerWaalsContact O-N 3.15Å; I281-K283 VanDerWaalsContact C-N 3.26Å; I281-K283 PolarHBondContact O-N 3.44Å; I281-L284 PolarHBondContact O-N 3.16Å; I281-L284 VanDerWaalsContact O-N 3.09Å; I281-E285 PolarHBondContact O-N 3.01Å; I281-Y291 HydrophobicContact CG2-CD1 4.47Å; I281-A295 HydrophobicContact CB-CB 4.18Å; I281-A295 HydrophobicContact CG2-CB 4.29Å
282V94.9Very high96.4Very high52 Ų5256.8 Ų56.832%0.31531%0.314SS..Hα-helixtrans-61.1-35.5180-175.70000111.8E280 E285 S286 A295E280-V282 PolarHBondContact O-N 3.34Å; V282-E285 CarbonylContact O-C 3.5Å; V282-S286 WeakPolarHBondContact O-CA 3.33Å; V282-S286 WeakPolarHBondContact O-CB 3.46Å; V282-S286 PolarHBondContact O-N 3.02Å; V282-A295 HydrophobicContact CG2-CB 3.36Å
283K96Very high96.3Very high177 Ų17754.7 Ų54.777%0.7730%0.298SS*.Hα-helixtrans-70.5-35.8176.8-69.7175.8-176.1178.60112.5A279 E280 I281A279-K283 WeakPolarHBondContact O-CG 3.42Å; A279-K283 PolarHBondContact O-N 2.83Å; E280-K283 PolarHBondContact O-N 3.12Å; I281-K283 VanDerWaalsContact C-N 3.26Å; I281-K283 PolarHBondContact O-N 3.44Å
284L97.1Very high96.2Very high63 Ų6355 Ų5533%0.3330%0.298SS..Hα-helixtrans-77.2-34.2-179.8-71.4169.5000112.1K254 V255 A258 E280 I281K254-L284 HydrophobicContact CB-CD1 4.22Å; K254-L284 HydrophobicContact CB-CD2 4.12Å; K254-L284 HydrophobicContact CD-CD2 4.39Å; V255-L284 HydrophobicContact CG2-CB 3.97Å; A258-L284 HydrophobicContact CB-CD1 3.83Å; E280-L284 HydrophobicContact CG-CD1 4.03Å; E280-L284 HydrophobicContact CG-CG 4.37Å; E280-L284 VanDerWaalsContact O-CG 3.29Å; E280-L284 WeakPolarHBondContact O-CG 3.38Å; E280-L284 PolarHBondContact O-N 2.99Å; I281-L284 PolarHBondContact O-N 3.16Å; I281-L284 VanDerWaalsContact O-N 3.09Å
285E95.5Very high96.2Very high10 Ų1055 Ų555%0.04730%0.298CS..  trans-141.389.2178.9-172.453.6-96.900110.6Y220 K251 V255 I281 V282 S287 N288 Y291Y220-E285 WeakPolarHBondContact CE1-OE2 3.46Å; Y220-E285 WeakPolarHBondContact OH-CG 3.46Å; Y220-E285 PolarHBondContact OH-OE2 3.44Å; K251-E285 VanDerWaalsContact CE-OE2 3.27Å; K251-E285 WeakPolarHBondContact CE-OE2 3.31Å; K251-E285 IonicContact NZ-OE2 2.64Å; K251-E285 PolarHBondContact NZ-OE2 3.36Å; V255-E285 HydrophobicContact CG2-CB 4.16Å; I281-E285 PolarHBondContact O-N 3.01Å; V282-E285 CarbonylContact O-C 3.5Å; E285-S287 PolarHBondContact OE1-N 2.93Å; E285-S287 PolarHBondContact OE1-OG 3.26Å; E285-N288 HydrophobicContact CG-CB 3.88Å; E285-Y291 HydrophobicContact CB-CD2 4.14Å; E285-Y291 HydrophobicContact CB-CG 4.41Å; E285-Y291 HydrophobicContact CG-CD2 3.48Å; E285-Y291 VanDerWaalsContact CG-CD2 3.48Å; E285-Y291 HydrophobicContact CG-CE2 4.1Å; E285-Y291 HydrophobicContact CG-CG 4.2Å
286S92.4Very high96.1Very high99 Ų9954.9 Ų54.969%0.69230%0.297SS*.  trans-91.8-13.3-179.563.60000113.5V282V282-S286 WeakPolarHBondContact O-CA 3.33Å; V282-S286 WeakPolarHBondContact O-CB 3.46Å; V282-S286 PolarHBondContact O-N 3.02Å
287S93Very high96.1Very high100 Ų10050.8 Ų50.870%0.69928%0.281SS*.SBendtrans-90.6-21.5-172.171.20000113.3E285E285-S287 PolarHBondContact OE1-N 2.93Å; E285-S287 PolarHBondContact OE1-OG 3.26Å
288N94.5Very high96.1Very high19 Ų1948 Ų4810%0.10227%0.271CS..  trans-102.2120.6-176.5178.2-26.8000110.7D221 E285 E290 Y291 A292D221-N288 PolarHBondContact O-ND2 3.42Å; E285-N288 HydrophobicContact CG-CB 3.88Å; N288-E290 VanDerWaalsContact C-N 3.3Å; N288-E290 PolarHBondContact O-N 3.5Å; N288-E290 WeakPolarHBondContact OD1-CB 3.41Å; N288-E290 PolarHBondContact OD1-N 3.05Å; N288-Y291 HydrophobicContact CB-CD2 3.86Å; N288-Y291 HydrophobicContact CB-CE2 4.41Å; N288-Y291 PolarHBondContact O-N 3.24Å; N288-A292 PolarHBondContact O-N 3Å
289P93.5Very high96.1Very high83 Ų8348.1 Ų48.154%0.53927%0.272SS..Hα-helixtrans-65.5-27.5-176.327-35000113.8Y291 A292 N293P289-Y291 PolarHBondContact O-N 3.38Å; P289-A292 PolarHBondContact O-N 3.07Å; P289-N293 WeakPolarHBondContact O-CB 3.4Å; P289-N293 PolarHBondContact O-N 2.91Å; P289-N293 PolarHBondContact O-ND2 3.23Å
290E94Very high96.2Very high90 Ų9046.7 Ų46.742%0.42126%0.26SS..Hα-helixtrans-64.5-42.2-180-62.4-54.7145.300111.5N288 N293 Q294N288-E290 VanDerWaalsContact C-N 3.3Å; N288-E290 PolarHBondContact O-N 3.5Å; N288-E290 WeakPolarHBondContact OD1-CB 3.41Å; N288-E290 PolarHBondContact OD1-N 3.05Å; E290-N293 PolarHBondContact O-N 3.44Å; E290-Q294 WeakPolarHBondContact O-CB 3.16Å; E290-Q294 PolarHBondContact O-N 3.1Å
291Y97.3Very high96.2Very high0 Ų045.1 Ų45.10%025%0.252CS..Hα-helixtrans-71.3-34.5176.1-65.9-65.9000112.6Y220 A225 V255 I259 I281 E285 N288 P289 Q294 A295Y220-Y291 WeakPolarHBondContact CA-OH 3.41Å; Y220-Y291 HydrophobicContact CD1-CE2 4.4Å; Y220-Y291 HydrophobicContact CD2-CE2 4.2Å; Y220-Y291 AromaticContact CD2-CZ 3.9Å; Y220-Y291 WeakPolarHBondContact CD2-OH 3.24Å; Y220-Y291 HydrophobicContact CE1-CE2 4.11Å; Y220-Y291 AromaticContact CE2-CE2 3.94Å; Y220-Y291 HydrophobicContact CE2-CE2 3.94Å; Y220-Y291 AromaticContact CE2-CZ 3.84Å; Y220-Y291 HydrophobicContact CG-CE2 4.46Å; Y220-Y291 AromaticContact CZ-CE2 3.9Å; Y220-Y291 WeakPolarHBondContact O-CE2 3.43Å; Y220-Y291 VanDerWaalsContact O-CZ 3.25Å; Y220-Y291 PolarHBondContact O-OH 2.88Å; A225-Y291 HydrophobicContact CB-CE1 3.68Å; A225-Y291 VanDerWaalsContact CB-OH 3.31Å; A225-Y291 WeakPolarHBondContact CB-OH 3.15Å; A225-Y291 PolarHBondContact N-OH 3.29Å; V255-Y291 HydrophobicContact CG1-CD1 3.83Å; V255-Y291 HydrophobicContact CG1-CE1 3.77Å; V255-Y291 HydrophobicContact CG1-CG 4.39Å; I259-Y291 HydrophobicContact CD1-CD1 3.98Å; I259-Y291 HydrophobicContact CD1-CE1 3.82Å; I281-Y291 HydrophobicContact CG2-CD1 4.47Å; E285-Y291 HydrophobicContact CB-CD2 4.14Å; E285-Y291 HydrophobicContact CB-CG 4.41Å; E285-Y291 HydrophobicContact CG-CD2 3.48Å; E285-Y291 VanDerWaalsContact CG-CD2 3.48Å; E285-Y291 HydrophobicContact CG-CE2 4.1Å; E285-Y291 HydrophobicContact CG-CG 4.2Å; N288-Y291 HydrophobicContact CB-CD2 3.86Å; N288-Y291 HydrophobicContact CB-CE2 4.41Å; N288-Y291 PolarHBondContact O-N 3.24Å; P289-Y291 PolarHBondContact O-N 3.38Å; Y291-Q294 PolarHBondContact O-N 3.29Å; Y291-A295 VanDerWaalsContact O-CB 3.28Å; Y291-A295 WeakPolarHBondContact O-CB 3.47Å; Y291-A295 PolarHBondContact O-N 3.33Å
292A95.4Very high96.2Very high27 Ų2745 Ų4522%0.22325%0.252CS..Hα-helixtrans-62.5-44.2172.800000111N288 P289 A295 N296N288-A292 PolarHBondContact O-N 3Å; P289-A292 PolarHBondContact O-N 3.07Å; A292-A295 PolarHBondContact O-N 2.61Å; A292-N296 WeakPolarHBondContact O-CB 3.4Å; A292-N296 PolarHBondContact O-N 2.64Å; A292-N296 PolarHBondContact O-ND2 3.48Å
293N94.9Very high96.4Very high29 Ų2943.1 Ų43.116%0.15524%0.24CC..Hα-helixtrans-63.9-46.5176.2-71.6-20000111.7P289 E290 A295 N296 I297P289-N293 WeakPolarHBondContact O-CB 3.4Å; P289-N293 PolarHBondContact O-N 2.91Å; P289-N293 PolarHBondContact O-ND2 3.23Å; E290-N293 PolarHBondContact O-N 3.44Å; N293-A295 VanDerWaalsContact C-N 3.32Å; N293-A295 PolarHBondContact O-N 2.76Å; N293-N296 PolarHBondContact O-N 3.24Å; N293-I297 WeakPolarHBondContact O-CG1 3.49Å; N293-I297 PolarHBondContact O-N 3.1Å
294Q96.1Very high96.5Very high62 Ų6234.9 Ų34.929%0.2921%0.205SC..Hα-helixtrans-59.3-42.5176.5-172.6-179.113.600112.2E290 Y291 S298E290-Q294 WeakPolarHBondContact O-CB 3.16Å; E290-Q294 PolarHBondContact O-N 3.1Å; Y291-Q294 PolarHBondContact O-N 3.29Å; Q294-S298 PolarHBondContact O-N 3.41Å; Q294-S298 PolarHBondContact O-OG 3.34Å
295A97.7Very high96.5Very high0 Ų035.3 Ų35.30%020%0.204CC..Hα-helixtrans-65.5-43.7175.400000111.6I281 V282 Y291 A292 N293 I297 S298 L299I281-A295 HydrophobicContact CB-CB 4.18Å; I281-A295 HydrophobicContact CG2-CB 4.29Å; V282-A295 HydrophobicContact CG2-CB 3.36Å; Y291-A295 VanDerWaalsContact O-CB 3.28Å; Y291-A295 WeakPolarHBondContact O-CB 3.47Å; Y291-A295 PolarHBondContact O-N 3.33Å; A292-A295 PolarHBondContact O-N 2.61Å; N293-A295 VanDerWaalsContact C-N 3.32Å; N293-A295 PolarHBondContact O-N 2.76Å; A295-I297 PolarHBondContact O-N 2.7Å; A295-S298 PolarHBondContact O-N 2.97Å; A295-L299 WeakPolarHBondContact O-CB 3.24Å; A295-L299 VanDerWaalsContact O-CG 3.25Å; A295-L299 WeakPolarHBondContact O-CG 3.37Å; A295-L299 PolarHBondContact O-N 3Å
296N97.6Very high96.6Very high28 Ų2836.8 Ų36.815%0.1522%0.218CC..Hα-helixtrans-63-39.7178.4-74.9-17.2000112.5A292 N293 S298 L299 C300 Y314 V318A292-N296 WeakPolarHBondContact O-CB 3.4Å; A292-N296 PolarHBondContact O-N 2.64Å; A292-N296 PolarHBondContact O-ND2 3.48Å; N293-N296 PolarHBondContact O-N 3.24Å; N296-S298 VanDerWaalsContact C-N 3.34Å; N296-L299 PolarHBondContact O-N 3.43Å; N296-C300 VanDerWaalsContact O-CB 3.31Å; N296-C300 WeakPolarHBondContact O-CB 3.5Å; N296-C300 PolarHBondContact O-N 3.38Å; N296-Y314 WeakPolarHBondContact OD1-CD1 3.47Å; N296-V318 HydrophobicContact CB-CG2 3.92Å; N296-V318 WeakPolarHBondContact O-CG2 3.41Å
297I98.2Very high96.7Very high50 Ų5039.7 Ų39.726%0.25622%0.218SC..Hα-helixtrans-58.6-49173.3-69.9166.5000110N293 A295 C300 H301 V318 Y322 F328N293-I297 WeakPolarHBondContact O-CG1 3.49Å; N293-I297 PolarHBondContact O-N 3.1Å; A295-I297 PolarHBondContact O-N 2.7Å; I297-C300 PolarHBondContact O-N 3.01Å; I297-H301 PolarHBondContact O-N 3.4Å; I297-H301 VanDerWaalsContact O-N 3.11Å; I297-V318 HydrophobicContact CG1-CG1 4.05Å; I297-V318 HydrophobicContact CG1-CG2 3.99Å; I297-Y322 HydrophobicContact CD1-CE2 3.99Å; I297-Y322 HydrophobicContact CG1-CE2 4.45Å; I297-F328 HydrophobicContact CD1-CZ 4.46Å; I297-F328 HydrophobicContact CG1-CZ 4.41Å; I297-F328 HydrophobicContact CG2-CE1 3.97Å; I297-F328 HydrophobicContact CG2-CZ 4.2Å
298S98.3Very high96.8Very high17 Ų1736.1 Ų36.112%0.11919%0.193CC..Hα-helixtrans-65.1-42.2179.7-55.50000112.1Q294 A295 N296 H301 C302Q294-S298 PolarHBondContact O-N 3.41Å; Q294-S298 PolarHBondContact O-OG 3.34Å; A295-S298 PolarHBondContact O-N 2.97Å; N296-S298 VanDerWaalsContact C-N 3.34Å; S298-H301 PolarHBondContact O-N 3.19Å; S298-C302 VanDerWaalsContact O-CB 3.3Å; S298-C302 WeakPolarHBondContact O-CB 3.48Å; S298-C302 PolarHBondContact O-N 2.98Å; S298-C302 PolarHBondContact O-SG 3.34Å; S298-C302 VanDerWaalsContact O-SG 3.32Å
299L98.4Very high96.7Very high3 Ų339.4 Ų39.42%0.01621%0.213CC..Hα-helixtrans-64.9-44.7177.7-74.8165.9000111.4I275 A278 A295 N296 H301 C302 H303 Y314I275-L299 HydrophobicContact CB-CD2 4.49Å; I275-L299 HydrophobicContact CG2-CD2 4.1Å; A278-L299 HydrophobicContact CB-CD2 3.8Å; A278-L299 HydrophobicContact CB-CG 3.7Å; A295-L299 WeakPolarHBondContact O-CB 3.24Å; A295-L299 VanDerWaalsContact O-CG 3.25Å; A295-L299 WeakPolarHBondContact O-CG 3.37Å; A295-L299 PolarHBondContact O-N 3Å; N296-L299 PolarHBondContact O-N 3.43Å; L299-H301 PolarHBondContact O-N 3.47Å; L299-C302 PolarHBondContact O-N 3.49Å; L299-H303 VanDerWaalsContact O-CB 3.28Å; L299-H303 WeakPolarHBondContact O-CB 3.39Å; L299-H303 PolarHBondContact O-CD2 3.4Å; L299-H303 PolarHBondContact O-N 3.47Å; L299-Y314 HydrophobicContact CB-CD1 3.98Å; L299-Y314 HydrophobicContact CB-CD2 3.96Å; L299-Y314 HydrophobicContact CB-CE1 4.43Å; L299-Y314 HydrophobicContact CB-CE2 4.39Å; L299-Y314 HydrophobicContact CB-CG 3.72Å; L299-Y314 HydrophobicContact CD1-CD1 3.79Å; L299-Y314 HydrophobicContact CD1-CE1 3.55Å; L299-Y314 HydrophobicContact CD1-CE2 4.47Å; L299-Y314 HydrophobicContact CD1-CG 4.37Å
300C98.5Very high96.8Very high1 Ų140.3 Ų40.31%0.00721%0.214CC..Hα-helixtrans-56.6-52175.6171.80000110.9N296 I297 A304 C315 V318 Y331N296-C300 VanDerWaalsContact O-CB 3.31Å; N296-C300 WeakPolarHBondContact O-CB 3.5Å; N296-C300 PolarHBondContact O-N 3.38Å; I297-C300 PolarHBondContact O-N 3.01Å; C300-A304 VanDerWaalsContact O-CB 3.24Å; C300-A304 WeakPolarHBondContact O-CB 3.23Å; C300-A304 PolarHBondContact O-N 2.78Å; C300-C315 WeakPolarHBondContact CA-SG 3.32Å; C300-C315 HydrophobicContact CB-CB 4Å; C300-C315 WeakPolarHBondContact CB-SG 3.43Å; C300-C315 WeakPolarHBondContact SG-CA 3.39Å; C300-C315 WeakPolarHBondContact SG-CB 3.4Å; C300-C315 CovalentContact SG-SG 2.05Å; C300-C315 PolarHBondContact SG-SG 3.46Å; C300-V318 HydrophobicContact CB-CG2 4.2Å; C300-Y331 VanDerWaalsContact SG-CB 3.55Å
301H98.4Very high97Very high36 Ų3636 Ų3617%0.16719%0.194CC..Hα-helixtrans-58.6-54.6178.1-172.8165000110.9I297 S298 L299 H303 A304 K305 Y331I297-H301 PolarHBondContact O-N 3.4Å; I297-H301 VanDerWaalsContact O-N 3.11Å; S298-H301 PolarHBondContact O-N 3.19Å; L299-H301 PolarHBondContact O-N 3.47Å; H301-H303 PolarHBondContact O-N 3.34Å; H301-A304 PolarHBondContact O-N 3.14Å; H301-K305 PolarHBondContact O-N 3.26Å; H301-Y331 HydrophobicContact CB-CD2 4.29Å; H301-Y331 HydrophobicContact CB-CE2 4.14Å; H301-Y331 AromaticContact CD2-CE1 3.7Å; H301-Y331 AromaticContact CD2-CZ 3.73Å; H301-Y331 AromaticContact CE1-CZ 3.76Å; H301-Y331 PolarHBondContact CE1-OH 3.08Å; H301-Y331 VanDerWaalsContact CE1-OH 3.26Å; H301-Y331 AromaticContact CG-CE2 3.92Å; H301-Y331 AromaticContact CG-CZ 3.76Å; H301-Y331 AromaticContact ND1-CE2 3.99Å; H301-Y331 AromaticContact ND1-CZ 3.78Å; H301-Y331 AromaticContact NE2-CE1 3.88Å; H301-Y331 AromaticContact NE2-CZ 3.76Å
302C98.3Very high97Very high0 Ų036.6 Ų36.60%020%0.197CC..Hα-helixtrans-68.4-36.9-172.9-67.30000113L266 Y271 C274 I275 S298 L299 A306L266-C302 VanDerWaalsContact CD1-SG 3.54Å; Y271-C302 HydrophobicContact CD1-CB 4.48Å; C274-C302 HydrophobicContact CB-CB 3.74Å; C274-C302 WeakPolarHBondContact CB-SG 3.48Å; C274-C302 WeakPolarHBondContact SG-CB 3.45Å; C274-C302 CovalentContact SG-SG 2.02Å; C274-C302 PolarHBondContact SG-SG 2.86Å; I275-C302 HydrophobicContact CG1-CB 3.81Å; S298-C302 VanDerWaalsContact O-CB 3.3Å; S298-C302 WeakPolarHBondContact O-CB 3.48Å; S298-C302 PolarHBondContact O-N 2.98Å; S298-C302 PolarHBondContact O-SG 3.34Å; S298-C302 VanDerWaalsContact O-SG 3.32Å; L299-C302 PolarHBondContact O-N 3.49Å; C302-A306 WeakPolarHBondContact O-CB 3.47Å; C302-A306 PolarHBondContact O-N 3.34Å
303H98.4Very high97.1Very high12 Ų1239.1 Ų39.16%0.05621%0.212CC..Hα-helixtrans-68.1-40.4173.4-79.7-76.8000112.6I275 L299 H301 K305 A306 K307 S308 Y314I275-H303 WeakPolarHBondContact CG2-NE2 3.41Å; L299-H303 VanDerWaalsContact O-CB 3.28Å; L299-H303 WeakPolarHBondContact O-CB 3.39Å; L299-H303 PolarHBondContact O-CD2 3.4Å; L299-H303 PolarHBondContact O-N 3.47Å; H301-H303 PolarHBondContact O-N 3.34Å; H303-K305 VanDerWaalsContact C-N 3.32Å; H303-K305 PolarHBondContact O-N 3.13Å; H303-A306 PolarHBondContact O-N 2.73Å; H303-K307 PolarHBondContact O-N 2.88Å; H303-S308 WeakPolarHBondContact ND1-CB 3.06Å; H303-S308 PolarHBondContact ND1-OG 3.46Å; H303-S308 PolarHBondContact O-N 3.14Å; H303-Y314 AromaticContact CD2-CD2 3.73Å; H303-Y314 AromaticContact CD2-CE2 3.83Å; H303-Y314 AromaticContact NE2-CE2 3.64Å
304A98Very high97.3Very high4 Ų441.4 Ų41.43%0.03322%0.218CC..Hα-helixtrans-58.3-46.2176.300000111C300 H301 K307 Y331 E334 N338C300-A304 VanDerWaalsContact O-CB 3.24Å; C300-A304 WeakPolarHBondContact O-CB 3.23Å; C300-A304 PolarHBondContact O-N 2.78Å; H301-A304 PolarHBondContact O-N 3.14Å; A304-K307 PolarHBondContact O-N 2.97Å; A304-Y331 HydrophobicContact CB-CD1 4.32Å; A304-E334 HydrophobicContact CB-CB 4.08Å; A304-N338 PolarHBondContact O-ND2 3.34Å
305K97.4Very high97.4Very high71 Ų7138.4 Ų38.431%0.30921%0.205SC..Hα-helixtrans-75.2-32.5179-64-64176.2-142.90114.3Y271 H301 H303 K307 E334Y271-K305 HydrophobicContact CD1-CB 3.71Å; Y271-K305 HydrophobicContact CD2-CB 3.79Å; Y271-K305 HydrophobicContact CE1-CB 3.47Å; Y271-K305 VanDerWaalsContact CE1-CB 3.47Å; Y271-K305 HydrophobicContact CE1-CG 3.91Å; Y271-K305 HydrophobicContact CE2-CB 3.55Å; Y271-K305 HydrophobicContact CE2-CG 4.49Å; Y271-K305 HydrophobicContact CG-CB 3.87Å; H301-K305 PolarHBondContact O-N 3.26Å; H303-K305 VanDerWaalsContact C-N 3.32Å; H303-K305 PolarHBondContact O-N 3.13Å; K305-K307 PolarHBondContact O-N 3.15Å; K305-E334 IonicContact NZ-OE1 3.09Å; K305-E334 PolarHBondContact NZ-OE1 2.98Å; K305-E334 IonicContact NZ-OE2 3.11Å; K305-E334 PolarHBondContact NZ-OE2 2.7Å
306A97.2Very high97.4Very high42 Ų4241.6 Ų41.635%0.34722%0.219SC..THydrogen-bonded Turntrans-70-5.517300000113.8I275 C302 H303 S308I275-A306 HydrophobicContact CD1-CB 3.9Å; C302-A306 WeakPolarHBondContact O-CB 3.47Å; C302-A306 PolarHBondContact O-N 3.34Å; H303-A306 PolarHBondContact O-N 2.73Å; A306-S308 PolarHBondContact O-N 3.18Å
307K95Very high97.4Very high160 Ų16041.8 Ų41.870%0.69622%0.223SC*.THydrogen-bonded Turntrans57.436.2-171.3-56.8178.5-175.8171.60113H303 A304 K305 N338H303-K307 PolarHBondContact O-N 2.88Å; A304-K307 PolarHBondContact O-N 2.97Å; K305-K307 PolarHBondContact O-N 3.15Å; K307-N338 WeakPolarHBondContact CA-ND2 3.5Å
308S94.7Very high97.4Very high24 Ų2439.6 Ų39.617%0.16821%0.212CC..  trans-87136.1-177.2-176.30000111.1H303 A306 D310H303-S308 WeakPolarHBondContact ND1-CB 3.06Å; H303-S308 PolarHBondContact ND1-OG 3.46Å; H303-S308 PolarHBondContact O-N 3.14Å; A306-S308 PolarHBondContact O-N 3.18Å; S308-D310 VanDerWaalsContact C-N 3.28Å; S308-D310 PolarHBondContact O-N 3.2Å; S308-D310 PolarHBondContact OG-N 3.31Å
309V93.7Very high97.3Very high88 Ų8839.5 Ų39.553%0.53321%0.211SC..G310 helixtrans-66.3-30.5174.6-63.60000112.4G311 N338V309-G311 PolarHBondContact O-N 3.24Å; V309-G311 VanDerWaalsContact O-N 3.15Å; V309-N338 WeakPolarHBondContact CG1-O 3.42Å
310D95.4Very high97.3Very high103 Ų10346.8 Ų46.855%0.55125%0.245SC*.G310 helixtrans-72.8-2.7-176.3-54-41.6000114.9S308 V312 P313 Y314S308-D310 VanDerWaalsContact C-N 3.28Å; S308-D310 PolarHBondContact O-N 3.2Å; S308-D310 PolarHBondContact OG-N 3.31Å; D310-V312 VanDerWaalsContact C-N 3.32Å; D310-V312 PolarHBondContact O-N 2.99Å; D310-P313 WeakPolarHBondContact O-CD 3.31Å; D310-Y314 WeakPolarHBondContact O-CD2 3.32Å; D310-Y314 WeakPolarHBondContact O-CE2 3.46Å
311G97.3Very high97.1Very high0 Ų051.2 Ų51.20%027%0.265CS..G310 helixtrans-72.6-21.9-174.900000115.3V309 Y314 C315V309-G311 PolarHBondContact O-N 3.24Å; V309-G311 VanDerWaalsContact O-N 3.15Å; G311-Y314 PolarHBondContact O-N 3.3Å; G311-C315 PolarHBondContact O-N 3.36Å; G311-C315 VanDerWaalsContact O-N 3.11Å
312V98.3Very high97Very high11 Ų1154 Ų547%0.06728%0.275CS..Hα-helixtrans-60-49.6-168.2174.20000113.5D310 Y314 C315 E316 A335 Y336 A339D310-V312 VanDerWaalsContact C-N 3.32Å; D310-V312 PolarHBondContact O-N 2.99Å; V312-Y314 VanDerWaalsContact C-N 3.26Å; V312-Y314 PolarHBondContact O-N 3.46Å; V312-C315 PolarHBondContact O-N 2.72Å; V312-E316 HydrophobicContact CG1-CG 4.09Å; V312-E316 WeakPolarHBondContact CG1-OE1 3.23Å; V312-E316 WeakPolarHBondContact O-CG 3.38Å; V312-E316 PolarHBondContact O-N 2.89Å; V312-A335 HydrophobicContact CG2-CB 4.06Å; V312-A335 WeakPolarHBondContact CG2-O 3.31Å; V312-Y336 HydrophobicContact CG1-CD1 3.95Å; V312-Y336 HydrophobicContact CG1-CE1 3.63Å; V312-Y336 HydrophobicContact CG2-CD1 4.09Å; V312-A339 HydrophobicContact CG2-CB 3.69Å
313P97.9Very high96.9Very high81 Ų8156.6 Ų56.653%0.52629%0.292SS..Hα-helixtrans-60.3-35.8-179-23.735.2000113D310 S317D310-P313 WeakPolarHBondContact O-CD 3.31Å; P313-S317 WeakPolarHBondContact O-CB 3.37Å; P313-S317 PolarHBondContact O-N 3.38Å; P313-S317 VanDerWaalsContact O-N 3.07Å
314Y98.1Very high96.7Very high76 Ų7663.8 Ų63.830%0.29833%0.325SS..Hα-helixtrans-68.3-45.4177.7-55.6-64.8000111.2N296 L299 H303 D310 G311 V312 S317 V318N296-Y314 WeakPolarHBondContact OD1-CD1 3.47Å; L299-Y314 HydrophobicContact CB-CD1 3.98Å; L299-Y314 HydrophobicContact CB-CD2 3.96Å; L299-Y314 HydrophobicContact CB-CE1 4.43Å; L299-Y314 HydrophobicContact CB-CE2 4.39Å; L299-Y314 HydrophobicContact CB-CG 3.72Å; L299-Y314 HydrophobicContact CD1-CD1 3.79Å; L299-Y314 HydrophobicContact CD1-CE1 3.55Å; L299-Y314 HydrophobicContact CD1-CE2 4.47Å; L299-Y314 HydrophobicContact CD1-CG 4.37Å; H303-Y314 AromaticContact CD2-CD2 3.73Å; H303-Y314 AromaticContact CD2-CE2 3.83Å; H303-Y314 AromaticContact NE2-CE2 3.64Å; D310-Y314 WeakPolarHBondContact O-CD2 3.32Å; D310-Y314 WeakPolarHBondContact O-CE2 3.46Å; G311-Y314 PolarHBondContact O-N 3.3Å; V312-Y314 VanDerWaalsContact C-N 3.26Å; V312-Y314 PolarHBondContact O-N 3.46Å; Y314-S317 PolarHBondContact O-N 2.94Å; Y314-V318 VanDerWaalsContact O-CG2 3.23Å; Y314-V318 WeakPolarHBondContact O-CG2 3.49Å; Y314-V318 PolarHBondContact O-N 2.87Å
315C98.5Very high96.7Very high0 Ų065.1 Ų65.10%034%0.335CS..Hα-helixtrans-69.7-38.2179.3-68.20000113.6C300 G311 V312 S317 V318 V319 Q332 A335C300-C315 WeakPolarHBondContact CA-SG 3.32Å; C300-C315 HydrophobicContact CB-CB 4Å; C300-C315 WeakPolarHBondContact CB-SG 3.43Å; C300-C315 WeakPolarHBondContact SG-CA 3.39Å; C300-C315 WeakPolarHBondContact SG-CB 3.4Å; C300-C315 CovalentContact SG-SG 2.05Å; C300-C315 PolarHBondContact SG-SG 3.46Å; G311-C315 PolarHBondContact O-N 3.36Å; G311-C315 VanDerWaalsContact O-N 3.11Å; V312-C315 PolarHBondContact O-N 2.72Å; C315-S317 VanDerWaalsContact C-N 3.33Å; C315-V318 PolarHBondContact O-N 3.37Å; C315-V319 WeakPolarHBondContact O-CB 3.46Å; C315-V319 WeakPolarHBondContact O-CG2 3.45Å; C315-V319 PolarHBondContact O-N 3.28Å; C315-Q332 HydrophobicContact CB-CB 3.92Å; C315-Q332 HydrophobicContact CB-CG 4.17Å; C315-A335 HydrophobicContact CB-CB 4.42Å
316E98Very high96.7Very high66 Ų6663.2 Ų63.231%0.30833%0.329SS..Hα-helixtrans-60.1-44.9172.3-74.6174.9168.100111V312 Q320 Y336 R341V312-E316 HydrophobicContact CG1-CG 4.09Å; V312-E316 WeakPolarHBondContact CG1-OE1 3.23Å; V312-E316 WeakPolarHBondContact O-CG 3.38Å; V312-E316 PolarHBondContact O-N 2.89Å; E316-Q320 WeakPolarHBondContact O-CB 2.99Å; E316-Q320 PolarHBondContact O-N 3.04Å; E316-Y336 HydrophobicContact CG-CE1 4.26Å; E316-Y336 WeakPolarHBondContact CG-OH 3.48Å; E316-Y336 WeakPolarHBondContact OE1-CE1 3.4Å; E316-Y336 PolarHBondContact OE1-OH 3.25Å; E316-R341 IonicContact OE1-CZ 3.98Å; E316-R341 IonicContact OE1-NH1 3.47Å; E316-R341 PolarHBondContact OE1-NH1 2.9Å; E316-R341 IonicContact OE1-NH2 3.78Å; E316-R341 PolarHBondContact OE1-NH2 3.4Å
317S96.9Very high96.7Very high33 Ų3366.1 Ų66.123%0.23134%0.335CS..Hα-helixtrans-60.8-45.9175.2-175.80000112.2P313 Y314 C315 Q320 H321P313-S317 WeakPolarHBondContact O-CB 3.37Å; P313-S317 PolarHBondContact O-N 3.38Å; P313-S317 VanDerWaalsContact O-N 3.07Å; Y314-S317 PolarHBondContact O-N 2.94Å; C315-S317 VanDerWaalsContact C-N 3.33Å; S317-Q320 PolarHBondContact O-N 3.17Å; S317-H321 PolarHBondContact O-N 3.35Å; S317-H321 PolarHBondContact O-ND1 3.48Å
318V97.9Very high96.9Very high3 Ų360 Ų602%0.01831%0.309CS..Hα-helixtrans-64.5-46.2179.8172.10000111.5N296 I297 C300 Y314 C315 Q320 H321 Y322 F328N296-V318 HydrophobicContact CB-CG2 3.92Å; N296-V318 WeakPolarHBondContact O-CG2 3.41Å; I297-V318 HydrophobicContact CG1-CG1 4.05Å; I297-V318 HydrophobicContact CG1-CG2 3.99Å; C300-V318 HydrophobicContact CB-CG2 4.2Å; Y314-V318 VanDerWaalsContact O-CG2 3.23Å; Y314-V318 WeakPolarHBondContact O-CG2 3.49Å; Y314-V318 PolarHBondContact O-N 2.87Å; C315-V318 PolarHBondContact O-N 3.37Å; V318-Q320 VanDerWaalsContact C-N 3.29Å; V318-Q320 PolarHBondContact O-N 3.4Å; V318-H321 PolarHBondContact O-N 3.4Å; V318-H321 VanDerWaalsContact O-N 3.13Å; V318-Y322 HydrophobicContact CG1-CD2 4.1Å; V318-Y322 WeakPolarHBondContact O-CD2 3.49Å; V318-Y322 PolarHBondContact O-N 3.43Å; V318-F328 HydrophobicContact CG1-CB 3.92Å; V318-F328 HydrophobicContact CG1-CD1 3.98Å; V318-F328 HydrophobicContact CG1-CD2 3.61Å; V318-F328 HydrophobicContact CG1-CE1 4.39Å; V318-F328 HydrophobicContact CG1-CE2 4.06Å; V318-F328 HydrophobicContact CG1-CG 3.57Å; V318-F328 HydrophobicContact CG1-CZ 4.43Å
319V97.9Very high97.1Very high16 Ų1659.5 Ų59.510%0.09730%0.303CS..Hα-helixtrans-66.4-32179.5171.40000111.7C315 H321 Y322 P323 F328 Q329 Q332C315-V319 WeakPolarHBondContact O-CB 3.46Å; C315-V319 WeakPolarHBondContact O-CG2 3.45Å; C315-V319 PolarHBondContact O-N 3.28Å; V319-H321 VanDerWaalsContact C-N 3.29Å; V319-H321 PolarHBondContact O-N 3.26Å; V319-Y322 CarbonylContact O-C 3.42Å; V319-Y322 VanDerWaalsContact O-C 3.32Å; V319-Y322 PolarHBondContact O-N 3.33Å; V319-P323 VanDerWaalsContact O-CA 3.23Å; V319-P323 WeakPolarHBondContact O-CA 3.22Å; V319-P323 VanDerWaalsContact O-N 3.1Å; V319-F328 HydrophobicContact CG2-CB 4.02Å; V319-Q329 HydrophobicContact CG1-CG 4.23Å; V319-Q329 HydrophobicContact CG2-CG 4.4Å; V319-Q332 HydrophobicContact CG2-CB 3.93Å; V319-Q332 HydrophobicContact CG2-CG 4.43Å
320Q96.8Very high97.3Very high155 Ų15556 Ų5672%0.72428%0.282SS*.Hα-helixtrans-61.5-37.3172.9-176.7-178.3-11.500112.2E316 S317 V318E316-Q320 WeakPolarHBondContact O-CB 2.99Å; E316-Q320 PolarHBondContact O-N 3.04Å; S317-Q320 PolarHBondContact O-N 3.17Å; V318-Q320 VanDerWaalsContact C-N 3.29Å; V318-Q320 PolarHBondContact O-N 3.4Å
321H94.9Very high97.4Very high94 Ų9452.2 Ų52.244%0.43526%0.26SS..Hα-helixtrans-80.9-28.9178.1-69.386.4000113S317 V318 V319 P323S317-H321 PolarHBondContact O-N 3.35Å; S317-H321 PolarHBondContact O-ND1 3.48Å; V318-H321 PolarHBondContact O-N 3.4Å; V318-H321 VanDerWaalsContact O-N 3.13Å; V319-H321 VanDerWaalsContact C-N 3.29Å; V319-H321 PolarHBondContact O-N 3.26Å; H321-P323 VanDerWaalsContact C-CD 3.48Å
322Y96.3Very high97.5Very high94 Ų9453.1 Ų53.137%0.36926%0.264SS..  trans-130.963.8-175.4-54.8-73.3000111.4I297 V318 V319 E324 S325 F328I297-Y322 HydrophobicContact CD1-CE2 3.99Å; I297-Y322 HydrophobicContact CG1-CE2 4.45Å; V318-Y322 HydrophobicContact CG1-CD2 4.1Å; V318-Y322 WeakPolarHBondContact O-CD2 3.49Å; V318-Y322 PolarHBondContact O-N 3.43Å; V319-Y322 CarbonylContact O-C 3.42Å; V319-Y322 VanDerWaalsContact O-C 3.32Å; V319-Y322 PolarHBondContact O-N 3.33Å; Y322-E324 PolarHBondContact O-N 3.19Å; Y322-E324 VanDerWaalsContact O-N 3.16Å; Y322-S325 PolarHBondContact O-N 3.31Å; Y322-S325 VanDerWaalsContact O-N 3.13Å; Y322-F328 HydrophobicContact CD2-CD2 4.05Å; Y322-F328 AromaticContact CD2-CE2 3.73Å; Y322-F328 HydrophobicContact CD2-CE2 3.73Å; Y322-F328 HydrophobicContact CE2-CE2 4.48Å; Y322-F328 HydrophobicContact CG-CD2 4.08Å; Y322-F328 AromaticContact CG-CE2 3.8Å; Y322-F328 HydrophobicContact CG-CE2 3.8Å
323P96.2Very high97.5Very high56 Ų5652.6 Ų52.636%0.36426%0.261SS..THydrogen-bonded Turntrans-64.7-23.5-170.825.4-35.5000113.8V319 H321 Q329V319-P323 VanDerWaalsContact O-CA 3.23Å; V319-P323 WeakPolarHBondContact O-CA 3.22Å; V319-P323 VanDerWaalsContact O-N 3.1Å; H321-P323 VanDerWaalsContact C-CD 3.48Å; P323-Q329 PolarHBondContact O-NE2 3.08Å
324E94.9Very high97.5Very high163 Ų16351 Ų5176%0.76225%0.247SC*.THydrogen-bonded Turntrans-87.4-6.2-179.2-55.8-52.7134.700113.5Y322 T326Y322-E324 PolarHBondContact O-N 3.19Å; Y322-E324 VanDerWaalsContact O-N 3.16Å; E324-T326 PolarHBondContact O-N 3.46Å
325S97.4Very high97.5Very high32 Ų3247.4 Ų47.422%0.22423%0.232CC..  trans-81.5102.7-179.3178.80000110.9Y322 E327 F328 Q329Y322-S325 PolarHBondContact O-N 3.31Å; Y322-S325 VanDerWaalsContact O-N 3.13Å; S325-E327 PolarHBondContact O-N 3.17Å; S325-F328 PolarHBondContact O-N 3.28Å; S325-F328 WeakPolarHBondContact OG-CD2 3.35Å; S325-F328 WeakPolarHBondContact OG-CG 3.4Å; S325-F328 PolarHBondContact OG-N 3.41Å; S325-Q329 WeakPolarHBondContact O-CG 3.39Å; S325-Q329 PolarHBondContact O-N 3.49Å; S325-Q329 VanDerWaalsContact O-N 3.1Å
326T98Very high97.6Very high30 Ų3048.3 Ų48.318%0.18424%0.236CC..Hα-helixtrans-55.9-36.5172.8-56.90000112.1E324 F328 Q329 L330 I352 E356 N359E324-T326 PolarHBondContact O-N 3.46Å; T326-F328 PolarHBondContact O-N 2.9Å; T326-Q329 PolarHBondContact O-N 2.86Å; T326-L330 HydrophobicContact CG2-CD1 4.32Å; T326-L330 HydrophobicContact CG2-CG 4.4Å; T326-L330 VanDerWaalsContact O-CG 3.3Å; T326-L330 WeakPolarHBondContact O-CG 3.5Å; T326-L330 PolarHBondContact O-N 3.02Å; T326-I352 HydrophobicContact CG2-CG1 4.43Å; T326-I352 HydrophobicContact CG2-CG2 3.73Å; T326-E356 WeakPolarHBondContact CB-OE1 3.22Å; T326-E356 PolarHBondContact OG1-OE1 3.47Å; T326-N359 WeakPolarHBondContact CG2-ND2 3.4Å
327E97.6Very high97.5Very high103 Ų10345.6 Ų45.648%0.48122%0.224SC..Hα-helixtrans-60.6-46.7178.3-176.4179.7-178.200111.9S325 L330 Y331S325-E327 PolarHBondContact O-N 3.17Å; E327-L330 WeakPolarHBondContact O-CB 3.5Å; E327-L330 PolarHBondContact O-N 3.35Å; E327-Y331 HydrophobicContact CG-CD2 4.3Å; E327-Y331 HydrophobicContact CG-CE2 3.54Å; E327-Y331 WeakPolarHBondContact O-CD2 3.44Å; E327-Y331 PolarHBondContact O-N 2.9Å; E327-Y331 VanDerWaalsContact O-N 3.15Å; E327-Y331 WeakPolarHBondContact OE1-CE2 3.3Å; E327-Y331 PolarHBondContact OE1-OH 3.49Å
328F98.1Very high97.5Very high33 Ų3345.3 Ų45.315%0.14522%0.22CC..Hα-helixtrans-70.4-35.1179.8-59.6-32.4000112.3I297 V318 V319 Y322 S325 T326 L330 Y331 Q332I297-F328 HydrophobicContact CD1-CZ 4.46Å; I297-F328 HydrophobicContact CG1-CZ 4.41Å; I297-F328 HydrophobicContact CG2-CE1 3.97Å; I297-F328 HydrophobicContact CG2-CZ 4.2Å; V318-F328 HydrophobicContact CG1-CB 3.92Å; V318-F328 HydrophobicContact CG1-CD1 3.98Å; V318-F328 HydrophobicContact CG1-CD2 3.61Å; V318-F328 HydrophobicContact CG1-CE1 4.39Å; V318-F328 HydrophobicContact CG1-CE2 4.06Å; V318-F328 HydrophobicContact CG1-CG 3.57Å; V318-F328 HydrophobicContact CG1-CZ 4.43Å; V319-F328 HydrophobicContact CG2-CB 4.02Å; Y322-F328 HydrophobicContact CD2-CD2 4.05Å; Y322-F328 AromaticContact CD2-CE2 3.73Å; Y322-F328 HydrophobicContact CD2-CE2 3.73Å; Y322-F328 HydrophobicContact CE2-CE2 4.48Å; Y322-F328 HydrophobicContact CG-CD2 4.08Å; Y322-F328 AromaticContact CG-CE2 3.8Å; Y322-F328 HydrophobicContact CG-CE2 3.8Å; S325-F328 PolarHBondContact O-N 3.28Å; S325-F328 WeakPolarHBondContact OG-CD2 3.35Å; S325-F328 WeakPolarHBondContact OG-CG 3.4Å; S325-F328 PolarHBondContact OG-N 3.41Å; T326-F328 PolarHBondContact O-N 2.9Å; F328-L330 VanDerWaalsContact C-N 3.3Å; F328-L330 PolarHBondContact O-N 3.22Å; F328-Y331 HydrophobicContact CD1-CD2 4.21Å; F328-Y331 HydrophobicContact CD1-CE2 4.46Å; F328-Y331 PolarHBondContact O-N 3.35Å; F328-Q332 WeakPolarHBondContact O-CB 3.28Å; F328-Q332 PolarHBondContact O-N 3.28Å
329Q98.4Very high97.4Very high12 Ų1246.6 Ų46.66%0.05623%0.23CC..Hα-helixtrans-62.9-37.3172.5-66.7178.7-3.800111.9V319 P323 S325 T326 Q332 A333 T348 I352V319-Q329 HydrophobicContact CG1-CG 4.23Å; V319-Q329 HydrophobicContact CG2-CG 4.4Å; P323-Q329 PolarHBondContact O-NE2 3.08Å; S325-Q329 WeakPolarHBondContact O-CG 3.39Å; S325-Q329 PolarHBondContact O-N 3.49Å; S325-Q329 VanDerWaalsContact O-N 3.1Å; T326-Q329 PolarHBondContact O-N 2.86Å; Q329-Q332 WeakPolarHBondContact O-CB 3.32Å; Q329-Q332 PolarHBondContact O-N 3.05Å; Q329-A333 PolarHBondContact O-N 3.42Å; Q329-T348 HydrophobicContact CB-CG2 4.2Å; Q329-T348 WeakPolarHBondContact O-CG2 3.45Å; Q329-I352 HydrophobicContact CB-CD1 3.81Å; Q329-I352 HydrophobicContact CB-CG1 3.99Å
330L98.6Very high97.2Very high15 Ų1551.4 Ų51.48%0.07926%0.256CS..Hα-helixtrans-63.1-44.9174-72.7170.8000111.7T326 E327 F328 Q332 A333 E334 Y349 I352 K361 A362T326-L330 HydrophobicContact CG2-CD1 4.32Å; T326-L330 HydrophobicContact CG2-CG 4.4Å; T326-L330 VanDerWaalsContact O-CG 3.3Å; T326-L330 WeakPolarHBondContact O-CG 3.5Å; T326-L330 PolarHBondContact O-N 3.02Å; E327-L330 WeakPolarHBondContact O-CB 3.5Å; E327-L330 PolarHBondContact O-N 3.35Å; F328-L330 VanDerWaalsContact C-N 3.3Å; F328-L330 PolarHBondContact O-N 3.22Å; L330-Q332 VanDerWaalsContact C-N 3.33Å; L330-Q332 PolarHBondContact O-N 3.34Å; L330-A333 PolarHBondContact O-N 3.39Å; L330-E334 WeakPolarHBondContact O-CG 3.39Å; L330-E334 PolarHBondContact O-N 2.91Å; L330-Y349 HydrophobicContact CD2-CD1 4.25Å; L330-Y349 HydrophobicContact CD2-CE1 3.83Å; L330-I352 HydrophobicContact CD2-CD1 3.74Å; L330-I352 HydrophobicContact CG-CD1 3.98Å; L330-K361 HydrophobicContact CD1-CB 4.11Å; L330-K361 HydrophobicContact CD1-CD 3.98Å; L330-K361 HydrophobicContact CD2-CB 4.05Å; L330-A362 HydrophobicContact CD2-CB 4.18Å
331Y98.4Very high97.2Very high23 Ų2348.3 Ų48.39%0.0924%0.237CC..Hα-helixtrans-63.6-38.2175-62.4-41.3000112.2C300 H301 A304 E327 F328 E334 A335C300-Y331 VanDerWaalsContact SG-CB 3.55Å; H301-Y331 HydrophobicContact CB-CD2 4.29Å; H301-Y331 HydrophobicContact CB-CE2 4.14Å; H301-Y331 AromaticContact CD2-CE1 3.7Å; H301-Y331 AromaticContact CD2-CZ 3.73Å; H301-Y331 AromaticContact CE1-CZ 3.76Å; H301-Y331 PolarHBondContact CE1-OH 3.08Å; H301-Y331 VanDerWaalsContact CE1-OH 3.26Å; H301-Y331 AromaticContact CG-CE2 3.92Å; H301-Y331 AromaticContact CG-CZ 3.76Å; H301-Y331 AromaticContact ND1-CE2 3.99Å; H301-Y331 AromaticContact ND1-CZ 3.78Å; H301-Y331 AromaticContact NE2-CE1 3.88Å; H301-Y331 AromaticContact NE2-CZ 3.76Å; A304-Y331 HydrophobicContact CB-CD1 4.32Å; E327-Y331 HydrophobicContact CG-CD2 4.3Å; E327-Y331 HydrophobicContact CG-CE2 3.54Å; E327-Y331 WeakPolarHBondContact O-CD2 3.44Å; E327-Y331 PolarHBondContact O-N 2.9Å; E327-Y331 VanDerWaalsContact O-N 3.15Å; E327-Y331 WeakPolarHBondContact OE1-CE2 3.3Å; E327-Y331 PolarHBondContact OE1-OH 3.49Å; F328-Y331 HydrophobicContact CD1-CD2 4.21Å; F328-Y331 HydrophobicContact CD1-CE2 4.46Å; F328-Y331 PolarHBondContact O-N 3.35Å; Y331-E334 PolarHBondContact O-N 2.82Å; Y331-A335 WeakPolarHBondContact O-CB 3.22Å; Y331-A335 PolarHBondContact O-N 2.92Å
332Q98.6Very high97.3Very high20 Ų2044.6 Ų44.69%0.09322%0.22CC..Hα-helixtrans-61.1-47.4174.2-174.9-171.446.300111.8C315 V319 F328 Q329 L330 E334 A335 Y336C315-Q332 HydrophobicContact CB-CB 3.92Å; C315-Q332 HydrophobicContact CB-CG 4.17Å; V319-Q332 HydrophobicContact CG2-CB 3.93Å; V319-Q332 HydrophobicContact CG2-CG 4.43Å; F328-Q332 WeakPolarHBondContact O-CB 3.28Å; F328-Q332 PolarHBondContact O-N 3.28Å; Q329-Q332 WeakPolarHBondContact O-CB 3.32Å; Q329-Q332 PolarHBondContact O-N 3.05Å; L330-Q332 VanDerWaalsContact C-N 3.33Å; L330-Q332 PolarHBondContact O-N 3.34Å; Q332-E334 VanDerWaalsContact C-N 3.33Å; Q332-E334 PolarHBondContact O-N 2.74Å; Q332-A335 WeakPolarHBondContact O-CB 3.33Å; Q332-A335 PolarHBondContact O-N 3.18Å; Q332-A335 VanDerWaalsContact O-N 3.16Å; Q332-Y336 HydrophobicContact CG-CD2 4.14Å; Q332-Y336 HydrophobicContact CG-CE2 3.6Å; Q332-Y336 PolarHBondContact NE2-OH 3.04Å; Q332-Y336 PolarHBondContact O-N 3.3Å
333A98.6Very high97.3Very high0 Ų045.5 Ų45.50%023%0.227CC..Hα-helixtrans-63.5-38.9177.900000112.1Q329 L330 Y336 I337 T348 Y349Q329-A333 PolarHBondContact O-N 3.42Å; L330-A333 PolarHBondContact O-N 3.39Å; A333-Y336 PolarHBondContact O-N 3.47Å; A333-I337 WeakPolarHBondContact O-CG1 3.42Å; A333-I337 PolarHBondContact O-N 3.24Å; A333-T348 HydrophobicContact CB-CG2 3.88Å; A333-Y349 HydrophobicContact CB-CD1 3.97Å; A333-Y349 HydrophobicContact CB-CD2 4.07Å; A333-Y349 HydrophobicContact CB-CE1 3.55Å; A333-Y349 HydrophobicContact CB-CE2 3.64Å; A333-Y349 HydrophobicContact CB-CG 4.22Å
334E98.4Very high97.4Very high47 Ų4745.7 Ų45.722%0.2223%0.226CC..Hα-helixtrans-60.9-44.3171.4-75.5179.4-172.500111.5A304 K305 L330 Y331 Q332 Y336 I337 N338A304-E334 HydrophobicContact CB-CB 4.08Å; K305-E334 IonicContact NZ-OE1 3.09Å; K305-E334 PolarHBondContact NZ-OE1 2.98Å; K305-E334 IonicContact NZ-OE2 3.11Å; K305-E334 PolarHBondContact NZ-OE2 2.7Å; L330-E334 WeakPolarHBondContact O-CG 3.39Å; L330-E334 PolarHBondContact O-N 2.91Å; Y331-E334 PolarHBondContact O-N 2.82Å; Q332-E334 VanDerWaalsContact C-N 3.33Å; Q332-E334 PolarHBondContact O-N 2.74Å; E334-Y336 PolarHBondContact O-N 3.13Å; E334-I337 PolarHBondContact O-N 3.3Å; E334-N338 PolarHBondContact O-N 3.45Å; E334-N338 PolarHBondContact O-ND2 3.4Å; E334-N338 VanDerWaalsContact O-ND2 3.16Å
335A98.2Very high97.6Very high0 Ų038 Ų380%019%0.189CC..Hα-helixtrans-62.5-40.4176.500000112.4V312 C315 Y331 Q332 N338 A339V312-A335 HydrophobicContact CG2-CB 4.06Å; V312-A335 WeakPolarHBondContact CG2-O 3.31Å; C315-A335 HydrophobicContact CB-CB 4.42Å; Y331-A335 WeakPolarHBondContact O-CB 3.22Å; Y331-A335 PolarHBondContact O-N 2.92Å; Q332-A335 WeakPolarHBondContact O-CB 3.33Å; Q332-A335 PolarHBondContact O-N 3.18Å; Q332-A335 VanDerWaalsContact O-N 3.16Å; A335-N338 PolarHBondContact O-N 2.86Å; A335-A339 PolarHBondContact O-N 3.49Å
336Y98.6Very high97.6Very high19 Ų1937 Ų378%0.07518%0.181CC..Hα-helixtrans-62.3-41.8173.6-71.8-34000112.7V312 E316 Q332 A333 E334 N338 A339 D340 R341 D344V312-Y336 HydrophobicContact CG1-CD1 3.95Å; V312-Y336 HydrophobicContact CG1-CE1 3.63Å; V312-Y336 HydrophobicContact CG2-CD1 4.09Å; E316-Y336 HydrophobicContact CG-CE1 4.26Å; E316-Y336 WeakPolarHBondContact CG-OH 3.48Å; E316-Y336 WeakPolarHBondContact OE1-CE1 3.4Å; E316-Y336 PolarHBondContact OE1-OH 3.25Å; Q332-Y336 HydrophobicContact CG-CD2 4.14Å; Q332-Y336 HydrophobicContact CG-CE2 3.6Å; Q332-Y336 PolarHBondContact NE2-OH 3.04Å; Q332-Y336 PolarHBondContact O-N 3.3Å; A333-Y336 PolarHBondContact O-N 3.47Å; E334-Y336 PolarHBondContact O-N 3.13Å; Y336-N338 VanDerWaalsContact C-N 3.31Å; Y336-N338 PolarHBondContact O-N 3.46Å; Y336-A339 CarbonylContact O-C 3.58Å; Y336-A339 PolarHBondContact O-N 3Å; Y336-D340 PolarHBondContact O-N 3.15Å; Y336-R341 HydrophobicContact CD1-CB 4.14Å; Y336-R341 VanDerWaalsContact CE1-NH2 3.33Å; Y336-R341 HydrophobicContact CG-CB 4.37Å; Y336-R341 WeakPolarHBondContact O-CA 3.19Å; Y336-R341 PolarHBondContact O-N 3.44Å; Y336-D344 HydrophobicContact CD1-CB 4.15Å; Y336-D344 HydrophobicContact CD2-CB 3.61Å; Y336-D344 HydrophobicContact CE1-CB 4.29Å; Y336-D344 HydrophobicContact CE2-CB 3.74Å; Y336-D344 HydrophobicContact CG-CB 3.82Å
337I97.7Very high97.7Very high10 Ų1038.9 Ų38.95%0.05120%0.196CC..Hα-helixtrans-59.2-45.3173-70.7175000110.6A333 E334 A339 D340 F342 A345 Y349 K368 A369 L372A333-I337 WeakPolarHBondContact O-CG1 3.42Å; A333-I337 PolarHBondContact O-N 3.24Å; E334-I337 PolarHBondContact O-N 3.3Å; I337-A339 PolarHBondContact O-N 3.24Å; I337-D340 PolarHBondContact O-N 2.98Å; I337-D340 VanDerWaalsContact O-N 3.14Å; I337-F342 HydrophobicContact CG2-CE1 4.49Å; I337-A345 HydrophobicContact CD1-CB 4.49Å; I337-A345 HydrophobicContact CG1-CB 3.68Å; I337-Y349 HydrophobicContact CD1-CE2 4.01Å; I337-K368 HydrophobicContact CD1-CD 4.27Å; I337-A369 HydrophobicContact CD1-CB 4.03Å; I337-A369 HydrophobicContact CG1-CB 4.12Å; I337-L372 HydrophobicContact CG2-CD1 3.64Å
338N96.3Very high97.7Very high27 Ų2734.7 Ų34.714%0.14418%0.178CC..Hα-helixtrans-63.9-29-178.7-62.1-32.6000112.2A304 K307 V309 E334 A335 Y336A304-N338 PolarHBondContact O-ND2 3.34Å; K307-N338 WeakPolarHBondContact CA-ND2 3.5Å; V309-N338 WeakPolarHBondContact CG1-O 3.42Å; E334-N338 PolarHBondContact O-N 3.45Å; E334-N338 PolarHBondContact O-ND2 3.4Å; E334-N338 VanDerWaalsContact O-ND2 3.16Å; A335-N338 PolarHBondContact O-N 2.86Å; Y336-N338 VanDerWaalsContact C-N 3.31Å; Y336-N338 PolarHBondContact O-N 3.46Å
339A96Very high97.7Very high30 Ų3033.4 Ų33.425%0.24817%0.172CC..THydrogen-bonded Turntrans-93.915.8177.100000113.9V312 A335 Y336 I337 R341V312-A339 HydrophobicContact CG2-CB 3.69Å; A335-A339 PolarHBondContact O-N 3.49Å; Y336-A339 CarbonylContact O-C 3.58Å; Y336-A339 PolarHBondContact O-N 3Å; I337-A339 PolarHBondContact O-N 3.24Å; A339-R341 HydrophobicContact CB-CG 4.42Å; A339-R341 PolarHBondContact O-N 3.3Å
340D94.1Very high97.7Very high117 Ų11736.9 Ų36.963%0.62619%0.188SC*.THydrogen-bonded Turntrans56.516.4-177.1-59.7-40.5000115.1Y336 I337 F342Y336-D340 PolarHBondContact O-N 3.15Å; I337-D340 PolarHBondContact O-N 2.98Å; I337-D340 VanDerWaalsContact O-N 3.14Å; D340-F342 HydrophobicContact CB-CE1 4.44Å; D340-F342 HydrophobicContact CB-CE2 4.06Å; D340-F342 HydrophobicContact CB-CZ 3.85Å; D340-F342 PolarHBondContact O-N 2.91Å; D340-F342 WeakPolarHBondContact OD1-CZ 3.42Å
341R96.7Very high97.7Very high89 Ų8940.5 Ų40.534%0.33620%0.203SC..  trans-82.458.1174.8-68.2177.162.5-175.9-10110.3E316 Y336 A339 Q343 D344 A345E316-R341 IonicContact OE1-CZ 3.98Å; E316-R341 IonicContact OE1-NH1 3.47Å; E316-R341 PolarHBondContact OE1-NH1 2.9Å; E316-R341 IonicContact OE1-NH2 3.78Å; E316-R341 PolarHBondContact OE1-NH2 3.4Å; Y336-R341 HydrophobicContact CD1-CB 4.14Å; Y336-R341 VanDerWaalsContact CE1-NH2 3.33Å; Y336-R341 HydrophobicContact CG-CB 4.37Å; Y336-R341 WeakPolarHBondContact O-CA 3.19Å; Y336-R341 PolarHBondContact O-N 3.44Å; A339-R341 HydrophobicContact CB-CG 4.42Å; A339-R341 PolarHBondContact O-N 3.3Å; R341-Q343 VanDerWaalsContact C-N 3.33Å; R341-Q343 PolarHBondContact O-N 3.12Å; R341-D344 HydrophobicContact CB-CB 4.28Å; R341-D344 IonicContact CZ-OD2 2.82Å; R341-D344 IonicContact NE-OD2 2.69Å; R341-D344 PolarHBondContact NE-OD2 2.97Å; R341-D344 IonicContact NH2-OD2 3.74Å; R341-D344 PolarHBondContact NH2-OD2 3.2Å; R341-D344 PolarHBondContact O-N 2.83Å; R341-A345 PolarHBondContact O-N 2.96Å; R341-A345 VanDerWaalsContact O-N 3.08Å
342F96.8Very high97.6Very high17 Ų1739.5 Ų39.58%0.07520%0.199CC..Hα-helixtrans-63.7-33.6-169.7-53.2-53.7000114.2I337 D340 A345 I346 L372 L373I337-F342 HydrophobicContact CG2-CE1 4.49Å; D340-F342 HydrophobicContact CB-CE1 4.44Å; D340-F342 HydrophobicContact CB-CE2 4.06Å; D340-F342 HydrophobicContact CB-CZ 3.85Å; D340-F342 PolarHBondContact O-N 2.91Å; D340-F342 WeakPolarHBondContact OD1-CZ 3.42Å; F342-A345 PolarHBondContact O-N 2.82Å; F342-I346 WeakPolarHBondContact O-CD1 3.32Å; F342-I346 VanDerWaalsContact O-CG1 3.22Å; F342-I346 WeakPolarHBondContact O-CG1 3.22Å; F342-I346 PolarHBondContact O-N 3.35Å; F342-L372 HydrophobicContact CD1-CB 3.74Å; F342-L372 HydrophobicContact CD1-CD1 4.28Å; F342-L372 HydrophobicContact CD2-CB 4.42Å; F342-L372 HydrophobicContact CE1-CB 3.53Å; F342-L372 HydrophobicContact CE1-CD1 3.78Å; F342-L372 HydrophobicContact CE1-CG 4.2Å; F342-L372 HydrophobicContact CE2-CB 4.23Å; F342-L372 HydrophobicContact CG-CB 4.2Å; F342-L372 HydrophobicContact CZ-CB 3.78Å; F342-L373 HydrophobicContact CB-CB 3.83Å; F342-L373 HydrophobicContact CB-CD1 4.16Å; F342-L373 HydrophobicContact CD2-CB 4.35Å; F342-L373 HydrophobicContact CG-CB 4.35Å
343Q96.5Very high97.6Very high112 Ų11240.1 Ų40.152%0.52320%0.203SC..Hα-helixtrans-64.2-44.6176.3-70.9-66.4-7.100111.5R341 A345 I346 S347 L373R341-Q343 VanDerWaalsContact C-N 3.33Å; R341-Q343 PolarHBondContact O-N 3.12Å; Q343-A345 VanDerWaalsContact C-N 3.33Å; Q343-A345 PolarHBondContact O-N 3.4Å; Q343-I346 PolarHBondContact O-N 3.01Å; Q343-S347 PolarHBondContact O-N 3.46Å; Q343-L373 HydrophobicContact CG-CD1 4.16Å
344D97.9Very high97.5Very high61 Ų6147.2 Ų47.233%0.32624%0.236SC..Hα-helixtrans-63.5-42.2177.4-59.4-29000110.6Y336 R341 I346 S347 T348Y336-D344 HydrophobicContact CD1-CB 4.15Å; Y336-D344 HydrophobicContact CD2-CB 3.61Å; Y336-D344 HydrophobicContact CE1-CB 4.29Å; Y336-D344 HydrophobicContact CE2-CB 3.74Å; Y336-D344 HydrophobicContact CG-CB 3.82Å; R341-D344 HydrophobicContact CB-CB 4.28Å; R341-D344 IonicContact CZ-OD2 2.82Å; R341-D344 IonicContact NE-OD2 2.69Å; R341-D344 PolarHBondContact NE-OD2 2.97Å; R341-D344 IonicContact NH2-OD2 3.74Å; R341-D344 PolarHBondContact NH2-OD2 3.2Å; R341-D344 PolarHBondContact O-N 2.83Å; D344-I346 PolarHBondContact O-N 3.41Å; D344-S347 PolarHBondContact O-N 3.38Å; D344-T348 PolarHBondContact O-N 3.44Å; D344-T348 PolarHBondContact O-OG1 3.16Å; D344-T348 VanDerWaalsContact O-OG1 3.11Å
345A98.4Very high97.4Very high0 Ų051.9 Ų51.90%026%0.258CS..Hα-helixtrans-58.6-46.3173.900000112.5I337 R341 F342 Q343 T348 Y349 A369I337-A345 HydrophobicContact CD1-CB 4.49Å; I337-A345 HydrophobicContact CG1-CB 3.68Å; R341-A345 PolarHBondContact O-N 2.96Å; R341-A345 VanDerWaalsContact O-N 3.08Å; F342-A345 PolarHBondContact O-N 2.82Å; Q343-A345 VanDerWaalsContact C-N 3.33Å; Q343-A345 PolarHBondContact O-N 3.4Å; A345-T348 PolarHBondContact O-N 2.94Å; A345-Y349 HydrophobicContact CB-CE2 4.46Å; A345-Y349 WeakPolarHBondContact O-CD2 3.39Å; A345-Y349 PolarHBondContact O-N 3.47Å; A345-A369 HydrophobicContact CB-CB 4.11Å
346I98.6Very high97.3Very high11 Ų1155 Ų556%0.05627%0.272CS..Hα-helixtrans-61.7-45.8178.3-69.2163.3000110.4F342 Q343 D344 Y349 Q350 M366 A369 Q370 L373F342-I346 WeakPolarHBondContact O-CD1 3.32Å; F342-I346 VanDerWaalsContact O-CG1 3.22Å; F342-I346 WeakPolarHBondContact O-CG1 3.22Å; F342-I346 PolarHBondContact O-N 3.35Å; Q343-I346 PolarHBondContact O-N 3.01Å; D344-I346 PolarHBondContact O-N 3.41Å; I346-Y349 PolarHBondContact O-N 3.18Å; I346-Q350 HydrophobicContact CG2-CG 4.41Å; I346-Q350 VanDerWaalsContact O-CG 3.31Å; I346-Q350 WeakPolarHBondContact O-CG 3.38Å; I346-Q350 PolarHBondContact O-N 2.89Å; I346-M366 HydrophobicContact CG2-CE 4.3Å; I346-A369 HydrophobicContact CD1-CB 4.4Å; I346-A369 HydrophobicContact CG1-CB 3.65Å; I346-Q370 HydrophobicContact CD1-CG 3.84Å; I346-Q370 HydrophobicContact CG1-CG 4.08Å; I346-L373 HydrophobicContact CD1-CB 4.38Å; I346-L373 HydrophobicContact CD1-CD2 3.73Å
347S98.4Very high97.2Very high71 Ų7158.3 Ų58.350%0.49730%0.298SS..Hα-helixtrans-61.2-44.4178-177.50000111.8Q343 D344 Y349 Q350 K351Q343-S347 PolarHBondContact O-N 3.46Å; D344-S347 PolarHBondContact O-N 3.38Å; S347-Y349 PolarHBondContact O-N 2.68Å; S347-Q350 PolarHBondContact O-N 3.4Å; S347-K351 PolarHBondContact O-N 3.17Å
348T98.4Very high97.2Very high15 Ų1563.8 Ų63.89%0.09233%0.328CS..Hα-helixtrans-62.1-43.4175.9-60.20000111.8Q329 A333 D344 A345 Q350 K351 I352Q329-T348 HydrophobicContact CB-CG2 4.2Å; Q329-T348 WeakPolarHBondContact O-CG2 3.45Å; A333-T348 HydrophobicContact CB-CG2 3.88Å; D344-T348 PolarHBondContact O-N 3.44Å; D344-T348 PolarHBondContact O-OG1 3.16Å; D344-T348 VanDerWaalsContact O-OG1 3.11Å; A345-T348 PolarHBondContact O-N 2.94Å; T348-Q350 PolarHBondContact O-N 3.4Å; T348-K351 PolarHBondContact O-N 3.02Å; T348-I352 HydrophobicContact CG2-CD1 4.5Å; T348-I352 WeakPolarHBondContact O-CG1 3.24Å; T348-I352 PolarHBondContact O-N 2.92Å; T348-I352 VanDerWaalsContact O-N 3.12Å
349Y98.7Very high97.2Very high5 Ų563.5 Ų63.52%0.0233%0.326CS..Hα-helixtrans-66.5-36.1176.3-71.7-55.2000113.2L330 A333 I337 A345 I346 S347 I352 L353 A362 G365 M366L330-Y349 HydrophobicContact CD2-CD1 4.25Å; L330-Y349 HydrophobicContact CD2-CE1 3.83Å; A333-Y349 HydrophobicContact CB-CD1 3.97Å; A333-Y349 HydrophobicContact CB-CD2 4.07Å; A333-Y349 HydrophobicContact CB-CE1 3.55Å; A333-Y349 HydrophobicContact CB-CE2 3.64Å; A333-Y349 HydrophobicContact CB-CG 4.22Å; I337-Y349 HydrophobicContact CD1-CE2 4.01Å; A345-Y349 HydrophobicContact CB-CE2 4.46Å; A345-Y349 WeakPolarHBondContact O-CD2 3.39Å; A345-Y349 PolarHBondContact O-N 3.47Å; I346-Y349 PolarHBondContact O-N 3.18Å; S347-Y349 PolarHBondContact O-N 2.68Å; Y349-I352 HydrophobicContact CD1-CD1 4.24Å; Y349-I352 PolarHBondContact O-N 3.13Å; Y349-L353 VanDerWaalsContact O-CG 3.29Å; Y349-L353 WeakPolarHBondContact O-CG 3.48Å; Y349-L353 PolarHBondContact O-N 3.34Å; Y349-A362 HydrophobicContact CD1-CB 3.89Å; Y349-G365 WeakPolarHBondContact CE2-O 3.44Å; Y349-M366 HydrophobicContact CD2-CB 4.19Å; Y349-M366 HydrophobicContact CG-CB 4.19Å
350Q98.1Very high97.3Very high85 Ų8567.2 Ų67.240%0.39734%0.338SS..Hα-helixtrans-60.6-47.5174.2-76.9170.9-26.300110.8I346 S347 T348 I352 L353 E354 M366I346-Q350 HydrophobicContact CG2-CG 4.41Å; I346-Q350 VanDerWaalsContact O-CG 3.31Å; I346-Q350 WeakPolarHBondContact O-CG 3.38Å; I346-Q350 PolarHBondContact O-N 2.89Å; S347-Q350 PolarHBondContact O-N 3.4Å; T348-Q350 PolarHBondContact O-N 3.4Å; Q350-I352 VanDerWaalsContact C-N 3.3Å; Q350-I352 PolarHBondContact O-N 3.3Å; Q350-L353 PolarHBondContact O-N 2.99Å; Q350-E354 WeakPolarHBondContact O-CG 3.44Å; Q350-E354 PolarHBondContact O-N 2.95Å; Q350-M366 HydrophobicContact CG-CE 3.47Å; Q350-M366 VanDerWaalsContact CG-CE 3.47Å; Q350-M366 HydrophobicContact CG-SD 4.16Å
351K97.5Very high97.5Very high92 Ų9268.4 Ų68.440%0.434%0.338SS..Hα-helixtrans-56.1-43.3175.6-173-175.4177.3-168.60112.2S347 T348 E354 H355S347-K351 PolarHBondContact O-N 3.17Å; T348-K351 PolarHBondContact O-N 3.02Å; K351-E354 PolarHBondContact O-N 3.47Å; K351-H355 PolarHBondContact O-CD2 3Å
352I98Very high97.6Very high2 Ų264.1 Ų64.11%0.0132%0.322CS..Hα-helixtrans-60.6-46.9174.8-66165000110.6T326 Q329 L330 T348 Y349 Q350 E354 H355 E356 N359 A362T326-I352 HydrophobicContact CG2-CG1 4.43Å; T326-I352 HydrophobicContact CG2-CG2 3.73Å; Q329-I352 HydrophobicContact CB-CD1 3.81Å; Q329-I352 HydrophobicContact CB-CG1 3.99Å; L330-I352 HydrophobicContact CD2-CD1 3.74Å; L330-I352 HydrophobicContact CG-CD1 3.98Å; T348-I352 HydrophobicContact CG2-CD1 4.5Å; T348-I352 WeakPolarHBondContact O-CG1 3.24Å; T348-I352 PolarHBondContact O-N 2.92Å; T348-I352 VanDerWaalsContact O-N 3.12Å; Y349-I352 HydrophobicContact CD1-CD1 4.24Å; Y349-I352 PolarHBondContact O-N 3.13Å; Q350-I352 VanDerWaalsContact C-N 3.3Å; Q350-I352 PolarHBondContact O-N 3.3Å; I352-E354 VanDerWaalsContact C-N 3.3Å; I352-E354 PolarHBondContact O-N 2.86Å; I352-H355 PolarHBondContact O-N 3.35Å; I352-E356 PolarHBondContact O-N 3.49Å; I352-N359 HydrophobicContact CG2-CB 4.22Å; I352-A362 HydrophobicContact CB-CB 4.18Å; I352-A362 HydrophobicContact CG2-CB 3.73Å
353L98Very high97.6Very high32 Ų3267.1 Ų67.117%0.16834%0.335CS..Hα-helixtrans-71.5-21-175.6-69170.3000114.1Y349 Q350 H355 S357 N359 A362 K363 M366Y349-L353 VanDerWaalsContact O-CG 3.29Å; Y349-L353 WeakPolarHBondContact O-CG 3.48Å; Y349-L353 PolarHBondContact O-N 3.34Å; Q350-L353 PolarHBondContact O-N 2.99Å; L353-H355 VanDerWaalsContact C-N 3.31Å; L353-S357 VanDerWaalsContact O-CA 3.28Å; L353-S357 WeakPolarHBondContact O-CA 3.35Å; L353-S357 PolarHBondContact O-N 2.93Å; L353-N359 HydrophobicContact CD2-CB 4.42Å; L353-A362 HydrophobicContact CD2-CB 3.87Å; L353-A362 HydrophobicContact CG-CB 3.94Å; L353-K363 HydrophobicContact CD1-CG 4.35Å; L353-K363 HydrophobicContact CD2-CG 3.74Å; L353-M366 HydrophobicContact CD1-SD 3.71Å
354E96.8Very high97.7Very high150 Ų15067.1 Ų67.170%0.70134%0.335SS*.Hα-helixtrans-63.7-37.4170.9-75.3171.2-172.500111.7Q350 K351 I352Q350-E354 WeakPolarHBondContact O-CG 3.44Å; Q350-E354 PolarHBondContact O-N 2.95Å; K351-E354 PolarHBondContact O-N 3.47Å; I352-E354 VanDerWaalsContact C-N 3.3Å; I352-E354 PolarHBondContact O-N 2.86Å
355H95.5Very high97.7Very high144 Ų14464.6 Ų64.667%0.66732%0.323SS*.Hα-helixtrans-94.7-33.3178.5-60.4-65.1000112.9K351 I352 L353K351-H355 PolarHBondContact O-CD2 3Å; I352-H355 PolarHBondContact O-N 3.35Å; L353-H355 VanDerWaalsContact C-N 3.31Å
356E96.8Very high97.7Very high66 Ų6666.1 Ų66.131%0.30833%0.331SS..  trans-126.570.8-177.6-63.5-176.1-162.300111.5T326 I352 N358 N359T326-E356 WeakPolarHBondContact CB-OE1 3.22Å; T326-E356 PolarHBondContact OG1-OE1 3.47Å; I352-E356 PolarHBondContact O-N 3.49Å; E356-N358 PolarHBondContact O-N 3.45Å; E356-N359 HydrophobicContact CB-CB 3.88Å; E356-N359 WeakPolarHBondContact O-CB 3.17Å; E356-N359 PolarHBondContact O-N 3.41Å; E356-N359 PolarHBondContact OE2-ND2 3.43Å
357S96.2Very high97.6Very high89 Ų8972.5 Ų72.562%0.62236%0.358SS*.THydrogen-bonded Turntrans-57.6-17.6-175.966.50000115.5L353 K363L353-S357 VanDerWaalsContact O-CA 3.28Å; L353-S357 WeakPolarHBondContact O-CA 3.35Å; L353-S357 PolarHBondContact O-N 2.93Å; S357-K363 WeakPolarHBondContact O-CE 3.36Å; S357-K363 PolarHBondContact O-NZ 2.87Å
358N96.4Very high97.5Very high125 Ų12574 Ų7467%0.66836%0.356SS*.THydrogen-bonded Turntrans-101.33.1177.367.6-18.1000114.1E356 Q360E356-N358 PolarHBondContact O-N 3.45Å; N358-Q360 PolarHBondContact O-N 2.91Å
359N97.6Very high97.5Very high21 Ų2173.3 Ų73.311%0.11235%0.351CS..  trans-64.2105.6-179.2-171.8-47.5000111.3T326 I352 L353 E356 K361 A362 K363T326-N359 WeakPolarHBondContact CG2-ND2 3.4Å; I352-N359 HydrophobicContact CG2-CB 4.22Å; L353-N359 HydrophobicContact CD2-CB 4.42Å; E356-N359 HydrophobicContact CB-CB 3.88Å; E356-N359 WeakPolarHBondContact O-CB 3.17Å; E356-N359 PolarHBondContact O-N 3.41Å; E356-N359 PolarHBondContact OE2-ND2 3.43Å; N359-K361 PolarHBondContact OD1-N 3.02Å; N359-A362 HydrophobicContact CB-CB 4.04Å; N359-A362 PolarHBondContact O-N 3.49Å; N359-A362 PolarHBondContact OD1-N 3.25Å; N359-K363 WeakPolarHBondContact O-CG 3.4Å; N359-K363 PolarHBondContact O-N 3.4Å; N359-K363 VanDerWaalsContact O-N 3.08Å
360Q97.8Very high97.4Very high107 Ų10777.2 Ų77.250%0.537%0.37SS..Hα-helixtrans-68.2-38.7-173.6-173.662.71100112.5N358 A362 K363 E364N358-Q360 PolarHBondContact O-N 2.91Å; Q360-A362 VanDerWaalsContact C-N 3.3Å; Q360-A362 PolarHBondContact O-N 3.44Å; Q360-K363 PolarHBondContact O-N 3.45Å; Q360-E364 HydrophobicContact CG-CG 4.43Å; Q360-E364 WeakPolarHBondContact CG-OE1 3.17Å; Q360-E364 PolarHBondContact NE2-OE1 2.84Å; Q360-E364 WeakPolarHBondContact O-CB 3.41Å; Q360-E364 WeakPolarHBondContact O-CG 3.37Å; Q360-E364 PolarHBondContact O-N 2.94Å
361K97.8Very high97.1Very high142 Ų14281 Ų8162%0.61739%0.385SS*.Hα-helixtrans-60.7-42.2177.2-67.3-178.8178.9176.90110.6L330 N359 G365L330-K361 HydrophobicContact CD1-CB 4.11Å; L330-K361 HydrophobicContact CD1-CD 3.98Å; L330-K361 HydrophobicContact CD2-CB 4.05Å; N359-K361 PolarHBondContact OD1-N 3.02Å; K361-G365 PolarHBondContact O-N 2.86Å
362A98.3Very high96.9Very high0 Ų079.6 Ų79.60%038%0.382CS..Hα-helixtrans-67-42.3176.800000112.5L330 Y349 I352 L353 N359 Q360 E364 G365 M366L330-A362 HydrophobicContact CD2-CB 4.18Å; Y349-A362 HydrophobicContact CD1-CB 3.89Å; I352-A362 HydrophobicContact CB-CB 4.18Å; I352-A362 HydrophobicContact CG2-CB 3.73Å; L353-A362 HydrophobicContact CD2-CB 3.87Å; L353-A362 HydrophobicContact CG-CB 3.94Å; N359-A362 HydrophobicContact CB-CB 4.04Å; N359-A362 PolarHBondContact O-N 3.49Å; N359-A362 PolarHBondContact OD1-N 3.25Å; Q360-A362 VanDerWaalsContact C-N 3.3Å; Q360-A362 PolarHBondContact O-N 3.44Å; A362-E364 PolarHBondContact O-N 3.01Å; A362-G365 PolarHBondContact O-N 3.21Å; A362-M366 VanDerWaalsContact O-CB 3.23Å; A362-M366 WeakPolarHBondContact O-CB 3.4Å; A362-M366 PolarHBondContact O-N 2.89Å
363K98.4Very high96.7Very high79 Ų7981 Ų8134%0.34339%0.389SS..Hα-helixtrans-60.6-46.4175.8-71.7179.7-177.4174.80112.6L353 S357 N359 Q360 K367L353-K363 HydrophobicContact CD1-CG 4.35Å; L353-K363 HydrophobicContact CD2-CG 3.74Å; S357-K363 WeakPolarHBondContact O-CE 3.36Å; S357-K363 PolarHBondContact O-NZ 2.87Å; N359-K363 WeakPolarHBondContact O-CG 3.4Å; N359-K363 PolarHBondContact O-N 3.4Å; N359-K363 VanDerWaalsContact O-N 3.08Å; Q360-K363 PolarHBondContact O-N 3.45Å; K363-K367 WeakPolarHBondContact O-CG 3.41Å; K363-K367 PolarHBondContact O-N 3.41Å; K363-K367 VanDerWaalsContact O-N 3.11Å
364E98.1Very high96.2Very high113 Ų11383 Ų8353%0.52840%0.396SS..Hα-helixtrans-67.6-44.1179.6-71.1174-176.500111.4Q360 A362 K367 K368Q360-E364 HydrophobicContact CG-CG 4.43Å; Q360-E364 WeakPolarHBondContact CG-OE1 3.17Å; Q360-E364 PolarHBondContact NE2-OE1 2.84Å; Q360-E364 WeakPolarHBondContact O-CB 3.41Å; Q360-E364 WeakPolarHBondContact O-CG 3.37Å; Q360-E364 PolarHBondContact O-N 2.94Å; A362-E364 PolarHBondContact O-N 3.01Å; E364-K367 PolarHBondContact O-N 3.24Å; E364-K368 WeakPolarHBondContact O-CB 3.49Å; E364-K368 PolarHBondContact O-N 3.42Å
365G97.6Very high95.6Very high8 Ų879 Ų798%0.08239%0.388CS..Hα-helixtrans-59.4-45.1174.700000112.8Y349 K361 A362 K368 A369Y349-G365 WeakPolarHBondContact CE2-O 3.44Å; K361-G365 PolarHBondContact O-N 2.86Å; A362-G365 PolarHBondContact O-N 3.21Å; G365-K368 WeakPolarHBondContact O-CB 3.4Å; G365-K368 PolarHBondContact O-N 3.41Å; G365-A369 WeakPolarHBondContact O-CB 3.46Å; G365-A369 PolarHBondContact O-N 2.96Å
366M98.1Very high94.9Very high32 Ų3275.4 Ų75.416%0.15838%0.379CS..Hα-helixtrans-62.1-47.5177.6-172.8178.9179.200111.7I346 Y349 Q350 L353 A362 K368 A369 Q370I346-M366 HydrophobicContact CG2-CE 4.3Å; Y349-M366 HydrophobicContact CD2-CB 4.19Å; Y349-M366 HydrophobicContact CG-CB 4.19Å; Q350-M366 HydrophobicContact CG-CE 3.47Å; Q350-M366 VanDerWaalsContact CG-CE 3.47Å; Q350-M366 HydrophobicContact CG-SD 4.16Å; L353-M366 HydrophobicContact CD1-SD 3.71Å; A362-M366 VanDerWaalsContact O-CB 3.23Å; A362-M366 WeakPolarHBondContact O-CB 3.4Å; A362-M366 PolarHBondContact O-N 2.89Å; M366-K368 VanDerWaalsContact C-N 3.29Å; M366-K368 PolarHBondContact O-N 2.89Å; M366-A369 PolarHBondContact O-N 3.39Å; M366-Q370 WeakPolarHBondContact O-CB 3.39Å; M366-Q370 VanDerWaalsContact O-CG 3.3Å; M366-Q370 WeakPolarHBondContact O-CG 3.36Å; M366-Q370 PolarHBondContact O-N 3.26Å
367K97.6Very high94Very high144 Ų14477.7 Ų77.763%0.62639%0.394SS*.Hα-helixtrans-59.2-42.2175.6-73.3175.7-177.4-178.60111.6K363 E364 K371K363-K367 WeakPolarHBondContact O-CG 3.41Å; K363-K367 PolarHBondContact O-N 3.41Å; K363-K367 VanDerWaalsContact O-N 3.11Å; E364-K367 PolarHBondContact O-N 3.24Å; K367-K371 WeakPolarHBondContact O-CB 3.5Å; K367-K371 PolarHBondContact O-N 3.48Å
368K96.7Very high93.2Very high103 Ų10377.9 Ų77.945%0.44838%0.381SS..Hα-helixtrans-61.7-48.3176-180-172.5172.6-164.70111.2I337 E364 G365 M366 K371 L372I337-K368 HydrophobicContact CD1-CD 4.27Å; E364-K368 WeakPolarHBondContact O-CB 3.49Å; E364-K368 PolarHBondContact O-N 3.42Å; G365-K368 WeakPolarHBondContact O-CB 3.4Å; G365-K368 PolarHBondContact O-N 3.41Å; M366-K368 VanDerWaalsContact C-N 3.29Å; M366-K368 PolarHBondContact O-N 2.89Å; K368-K371 PolarHBondContact O-N 2.9Å; K368-L372 HydrophobicContact CG-CD1 4.07Å; K368-L372 WeakPolarHBondContact O-CG 3.48Å; K368-L372 PolarHBondContact O-N 3.47Å
369A97.1Very high92.5Very high0 Ų077.1 Ų77.10%037%0.369CS..Hα-helixtrans-63.1-43.5179.600000112I337 A345 I346 G365 M366 K371 L372 L373I337-A369 HydrophobicContact CD1-CB 4.03Å; I337-A369 HydrophobicContact CG1-CB 4.12Å; A345-A369 HydrophobicContact CB-CB 4.11Å; I346-A369 HydrophobicContact CD1-CB 4.4Å; I346-A369 HydrophobicContact CG1-CB 3.65Å; G365-A369 WeakPolarHBondContact O-CB 3.46Å; G365-A369 PolarHBondContact O-N 2.96Å; M366-A369 PolarHBondContact O-N 3.39Å; A369-K371 PolarHBondContact O-N 2.87Å; A369-L372 PolarHBondContact O-N 3.12Å; A369-L373 WeakPolarHBondContact O-CB 3.49Å; A369-L373 PolarHBondContact O-N 3.08Å
370Q96.3Very high92Very high88 Ų8879.1 Ų79.141%0.41138%0.38SS..Hα-helixtrans-59.6-43.7174.6-73.5174.2-29.500112.2I346 M366 L372 L373 K374I346-Q370 HydrophobicContact CD1-CG 3.84Å; I346-Q370 HydrophobicContact CG1-CG 4.08Å; M366-Q370 WeakPolarHBondContact O-CB 3.39Å; M366-Q370 VanDerWaalsContact O-CG 3.3Å; M366-Q370 WeakPolarHBondContact O-CG 3.36Å; M366-Q370 PolarHBondContact O-N 3.26Å; Q370-L372 PolarHBondContact O-N 3.2Å; Q370-L373 PolarHBondContact O-N 3.06Å; Q370-K374 WeakPolarHBondContact O-CB 3.44Å; Q370-K374 PolarHBondContact O-N 2.71Å
371K93.4Very high91.7Very high165 Ų16574 Ų7472%0.71736%0.356SS*.Hα-helixtrans-61.9-43.1176-176.4-179.1178.8-179.90111.7K367 K368 A369 K374 A375K367-K371 WeakPolarHBondContact O-CB 3.5Å; K367-K371 PolarHBondContact O-N 3.48Å; K368-K371 PolarHBondContact O-N 2.9Å; A369-K371 PolarHBondContact O-N 2.87Å; K371-K374 PolarHBondContact O-N 2.94Å; K371-A375 WeakPolarHBondContact O-CB 3.48Å; K371-A375 PolarHBondContact O-N 2.76Å
372L92.5Very high91.4Very high62 Ų6267.6 Ų67.633%0.32533%0.328SS..Hα-helixtrans-67.7-43179.2-72.1169.3000112.1I337 F342 K368 A369 Q370 K374 A375 S376I337-L372 HydrophobicContact CG2-CD1 3.64Å; F342-L372 HydrophobicContact CD1-CB 3.74Å; F342-L372 HydrophobicContact CD1-CD1 4.28Å; F342-L372 HydrophobicContact CD2-CB 4.42Å; F342-L372 HydrophobicContact CE1-CB 3.53Å; F342-L372 HydrophobicContact CE1-CD1 3.78Å; F342-L372 HydrophobicContact CE1-CG 4.2Å; F342-L372 HydrophobicContact CE2-CB 4.23Å; F342-L372 HydrophobicContact CG-CB 4.2Å; F342-L372 HydrophobicContact CZ-CB 3.78Å; K368-L372 HydrophobicContact CG-CD1 4.07Å; K368-L372 WeakPolarHBondContact O-CG 3.48Å; K368-L372 PolarHBondContact O-N 3.47Å; A369-L372 PolarHBondContact O-N 3.12Å; Q370-L372 PolarHBondContact O-N 3.2Å; L372-K374 VanDerWaalsContact C-N 3.33Å; L372-K374 PolarHBondContact O-N 3.15Å; L372-A375 CarbonylContact O-C 3.53Å; L372-A375 WeakPolarHBondContact O-CB 3.33Å; L372-A375 PolarHBondContact O-N 2.94Å; L372-A375 VanDerWaalsContact O-N 3.16Å; L372-S376 PolarHBondContact O-N 3.29Å
373L92.7Very high91.1Very high32 Ų3275.6 Ų75.617%0.16836%0.363CS..Hα-helixtrans-58.6-43.9173.3177.769.8000112.1F342 Q343 I346 A369 Q370 A375 S376 N377F342-L373 HydrophobicContact CB-CB 3.83Å; F342-L373 HydrophobicContact CB-CD1 4.16Å; F342-L373 HydrophobicContact CD2-CB 4.35Å; F342-L373 HydrophobicContact CG-CB 4.35Å; Q343-L373 HydrophobicContact CG-CD1 4.16Å; I346-L373 HydrophobicContact CD1-CB 4.38Å; I346-L373 HydrophobicContact CD1-CD2 3.73Å; A369-L373 WeakPolarHBondContact O-CB 3.49Å; A369-L373 PolarHBondContact O-N 3.08Å; Q370-L373 PolarHBondContact O-N 3.06Å; L373-A375 VanDerWaalsContact C-N 3.32Å; L373-A375 PolarHBondContact O-N 2.98Å; L373-S376 PolarHBondContact O-N 3.48Å; L373-S376 PolarHBondContact O-OG 3.34Å; L373-N377 WeakPolarHBondContact O-CB 3.48Å; L373-N377 PolarHBondContact O-N 3.24Å; L373-N377 VanDerWaalsContact O-N 3.09Å; L373-N377 PolarHBondContact O-ND2 2.93Å
374K89.1Confident90.8Very high74 Ų7473.5 Ų73.532%0.32235%0.354SS..Hα-helixtrans-63.1-41.4176.2-173.9166.6-174.7156.10111.2Q370 K371 L372 N377 R378 D451 E453Q370-K374 WeakPolarHBondContact O-CB 3.44Å; Q370-K374 PolarHBondContact O-N 2.71Å; K371-K374 PolarHBondContact O-N 2.94Å; L372-K374 VanDerWaalsContact C-N 3.33Å; L372-K374 PolarHBondContact O-N 3.15Å; K374-N377 PolarHBondContact O-N 3.39Å; K374-R378 PolarHBondContact O-N 3.05Å; K374-D451 WeakPolarHBondContact CE-OD2 2.97Å; K374-D451 IonicContact NZ-OD1 3.71Å; K374-D451 IonicContact NZ-OD2 2.88Å; K374-D451 PolarHBondContact NZ-OD2 2.89Å; K374-E453 IonicContact NZ-OE2 3.98Å; K374-E453 PolarHBondContact NZ-OE2 3.29Å
375A83.1Confident90.5Very high64 Ų6468.3 Ų68.353%0.52933%0.331SS..Hα-helixtrans-66.3-38.4176.400000112.8K371 L372 L373 N377 R378K371-A375 WeakPolarHBondContact O-CB 3.48Å; K371-A375 PolarHBondContact O-N 2.76Å; L372-A375 CarbonylContact O-C 3.53Å; L372-A375 WeakPolarHBondContact O-CB 3.33Å; L372-A375 PolarHBondContact O-N 2.94Å; L372-A375 VanDerWaalsContact O-N 3.16Å; L373-A375 VanDerWaalsContact C-N 3.32Å; L373-A375 PolarHBondContact O-N 2.98Å; A375-N377 VanDerWaalsContact C-N 3.33Å; A375-R378 VanDerWaalsContact O-CB 3.29Å; A375-R378 WeakPolarHBondContact O-CB 3.44Å; A375-R378 PolarHBondContact O-N 3.27Å
376S81.3Confident90.2Very high69 Ų6971.2 Ų71.248%0.48336%0.361SS..Hα-helixtrans-69.5-30.5178.468.70000112.8L372 L373 R378L372-S376 PolarHBondContact O-N 3.29Å; L373-S376 PolarHBondContact O-N 3.48Å; L373-S376 PolarHBondContact O-OG 3.34Å; S376-R378 VanDerWaalsContact C-N 3.34Å
377N78Confident90Very high115 Ų11570.7 Ų70.762%0.61536%0.359SS*.THydrogen-bonded Turntrans-87.80.1176.4-68.8-17.9000113.5L373 K374 A375 R379L373-N377 WeakPolarHBondContact O-CB 3.48Å; L373-N377 PolarHBondContact O-N 3.24Å; L373-N377 VanDerWaalsContact O-N 3.09Å; L373-N377 PolarHBondContact O-ND2 2.93Å; K374-N377 PolarHBondContact O-N 3.39Å; A375-N377 VanDerWaalsContact C-N 3.33Å; N377-R379 PolarHBondContact O-N 3.47Å
378R78.8Confident89.7Confident92 Ų9267.8 Ų67.835%0.34736%0.355SS..  trans-64.9126.2-177.9-170.1175-173.5-148.5-4.2110.2K374 A375 S376 D380 F443 G446K374-R378 PolarHBondContact O-N 3.05Å; A375-R378 VanDerWaalsContact O-CB 3.29Å; A375-R378 WeakPolarHBondContact O-CB 3.44Å; A375-R378 PolarHBondContact O-N 3.27Å; S376-R378 VanDerWaalsContact C-N 3.34Å; R378-D380 PolarHBondContact O-N 3.27Å; R378-F443 PolarHBondContact NH2-O 3.16Å; R378-G446 VanDerWaalsContact NH2-CA 3.31Å; R378-G446 PolarHBondContact NH2-O 2.91Å
379R82Confident89.3Confident109 Ų10970.1 Ų70.141%0.41137%0.365SS..  trans-66121.5176.8-68.1176.7177.3171.4-0.7109.8N377 Y381 I384 F443N377-R379 PolarHBondContact O-N 3.47Å; R379-Y381 HydrophobicContact CB-CD1 4.36Å; R379-Y381 HydrophobicContact CB-CE1 3.96Å; R379-Y381 PolarHBondContact O-N 3.46Å; R379-I384 HydrophobicContact CB-CD1 4.11Å; R379-F443 VanDerWaalsContact O-CE2 3.22Å; R379-F443 WeakPolarHBondContact O-CE2 3.21Å; R379-F443 WeakPolarHBondContact O-CZ 3.42Å
380D86.5Confident89Confident64 Ų6475.2 Ų75.234%0.34240%0.401SS..  trans-88.292.2168.7-173.7-16000109.4R378 Y382 K383 I384R378-D380 PolarHBondContact O-N 3.27Å; D380-Y382 PolarHBondContact O-N 3.49Å; D380-Y382 WeakPolarHBondContact OD1-CB 3.41Å; D380-Y382 PolarHBondContact OD1-N 2.94Å; D380-Y382 VanDerWaalsContact OD1-N 3.1Å; D380-K383 HydrophobicContact CB-CB 3.77Å; D380-K383 WeakPolarHBondContact O-CB 3.32Å; D380-K383 PolarHBondContact O-N 3.35Å; D380-K383 VanDerWaalsContact O-N 3.08Å; D380-K383 PolarHBondContact OD1-N 2.99Å; D380-K383 VanDerWaalsContact OD1-N 3.16Å; D380-I384 WeakPolarHBondContact O-CG1 3.46Å; D380-I384 PolarHBondContact O-N 2.97Å
381Y92.4Very high88.8Confident0 Ų071.3 Ų71.30%038%0.383CS..Hα-helixtrans-58.7-30.7-178.4-63.4-57000113.4R379 I384 L385 A429 A430 V433 F443 D448R379-Y381 HydrophobicContact CB-CD1 4.36Å; R379-Y381 HydrophobicContact CB-CE1 3.96Å; R379-Y381 PolarHBondContact O-N 3.46Å; Y381-I384 HydrophobicContact CD1-CD1 4.04Å; Y381-L385 PolarHBondContact O-N 3.21Å; Y381-A429 HydrophobicContact CE1-CB 4.12Å; Y381-A430 HydrophobicContact CD1-CB 3.69Å; Y381-A430 HydrophobicContact CG-CB 4.19Å; Y381-V433 HydrophobicContact CD2-CB 3.81Å; Y381-V433 HydrophobicContact CD2-CG1 3.57Å; Y381-V433 HydrophobicContact CD2-CG2 4.05Å; Y381-V433 HydrophobicContact CE1-CG2 4.38Å; Y381-V433 HydrophobicContact CE2-CB 3.95Å; Y381-V433 HydrophobicContact CE2-CG1 3.8Å; Y381-V433 HydrophobicContact CE2-CG2 3.65Å; Y381-V433 HydrophobicContact CG-CB 4.26Å; Y381-V433 HydrophobicContact CG-CG1 4.39Å; Y381-F443 HydrophobicContact CD2-CD1 4.1Å; Y381-F443 AromaticContact CD2-CD2 3.53Å; Y381-F443 HydrophobicContact CD2-CD2 3.53Å; Y381-F443 HydrophobicContact CD2-CE1 4Å; Y381-F443 AromaticContact CD2-CE2 3.43Å; Y381-F443 HydrophobicContact CD2-CE2 3.43Å; Y381-F443 VanDerWaalsContact CD2-CE2 3.43Å; Y381-F443 AromaticContact CD2-CG 3.88Å; Y381-F443 HydrophobicContact CD2-CG 3.88Å; Y381-F443 AromaticContact CD2-CZ 3.69Å; Y381-F443 HydrophobicContact CD2-CZ 3.69Å; Y381-F443 AromaticContact CE2-CD2 3.7Å; Y381-F443 HydrophobicContact CE2-CD2 3.7Å; Y381-F443 AromaticContact CE2-CE2 3.77Å; Y381-F443 HydrophobicContact CE2-CE2 3.77Å; Y381-F443 HydrophobicContact CE2-CG 4.35Å; Y381-F443 HydrophobicContact CE2-CZ 4.46Å; Y381-F443 HydrophobicContact CG-CE2 4.43Å; Y381-F443 HydrophobicContact CG-CZ 4.34Å; Y381-D448 WeakPolarHBondContact CE2-OD1 3.31Å; Y381-D448 PolarHBondContact OH-OD1 2.88Å; Y381-D448 PolarHBondContact OH-OD2 3.41Å
382Y92.5Very high88.8Confident6 Ų666 Ų662%0.02437%0.367CS..Hα-helixtrans-68.3-44.4175.7-68.7-74000111D380 L385 G386 V387 K389 L434 R440 F443 E444D380-Y382 PolarHBondContact O-N 3.49Å; D380-Y382 WeakPolarHBondContact OD1-CB 3.41Å; D380-Y382 PolarHBondContact OD1-N 2.94Å; D380-Y382 VanDerWaalsContact OD1-N 3.1Å; Y382-L385 PolarHBondContact O-N 2.92Å; Y382-G386 PolarHBondContact O-N 3.12Å; Y382-V387 HydrophobicContact CD1-CG2 4.11Å; Y382-V387 PolarHBondContact O-N 3.47Å; Y382-K389 HydrophobicContact CD2-CG 3.89Å; Y382-K389 HydrophobicContact CE2-CB 4.5Å; Y382-K389 HydrophobicContact CE2-CG 4.2Å; Y382-K389 HydrophobicContact CG-CG 4.12Å; Y382-L434 HydrophobicContact CD1-CD1 3.66Å; Y382-L434 HydrophobicContact CD1-CD2 4.16Å; Y382-L434 HydrophobicContact CD2-CD2 4.2Å; Y382-L434 HydrophobicContact CE1-CD1 3.86Å; Y382-L434 HydrophobicContact CE1-CD2 3.68Å; Y382-L434 HydrophobicContact CE1-CG 4.36Å; Y382-L434 HydrophobicContact CE2-CD2 3.74Å; Y382-L434 HydrophobicContact CG-CD1 4.07Å; Y382-L434 HydrophobicContact CG-CD2 4.39Å; Y382-L434 VanDerWaalsContact CZ-CD2 3.45Å; Y382-R440 VanDerWaalsContact OH-CZ 3.29Å; Y382-R440 PolarHBondContact OH-NE 2.82Å; Y382-R440 PolarHBondContact OH-NH2 3.4Å; Y382-F443 HydrophobicContact CD2-CD1 4.42Å; Y382-F443 AromaticContact CD2-CE1 3.76Å; Y382-F443 HydrophobicContact CD2-CE1 3.76Å; Y382-F443 AromaticContact CE2-CD1 3.99Å; Y382-F443 HydrophobicContact CE2-CD1 3.99Å; Y382-F443 AromaticContact CE2-CE1 3.78Å; Y382-F443 HydrophobicContact CE2-CE1 3.78Å; Y382-E444 PolarHBondContact OH-OE1 3.23Å
383K90.8Very high88.9Confident169 Ų16967.9 Ų67.974%0.73537%0.372SS*.Hα-helixtrans-65.6-38.8176.2-169178.3-179.6-178.40112.1D380 L385 G386D380-K383 HydrophobicContact CB-CB 3.77Å; D380-K383 WeakPolarHBondContact O-CB 3.32Å; D380-K383 PolarHBondContact O-N 3.35Å; D380-K383 VanDerWaalsContact O-N 3.08Å; D380-K383 PolarHBondContact OD1-N 2.99Å; D380-K383 VanDerWaalsContact OD1-N 3.16Å; K383-L385 VanDerWaalsContact C-N 3.33Å; K383-L385 PolarHBondContact O-N 3.44Å; K383-G386 PolarHBondContact O-N 3.12Å; K383-G386 VanDerWaalsContact O-N 3.11Å
384I91.7Very high89.1Confident34 Ų3474.2 Ų74.217%0.17440%0.399CS..Hα-helixtrans-58.8-43.7176.2-70.3165000111.1R379 D380 Y381 G386 E426 I427 A430R379-I384 HydrophobicContact CB-CD1 4.11Å; D380-I384 WeakPolarHBondContact O-CG1 3.46Å; D380-I384 PolarHBondContact O-N 2.97Å; Y381-I384 HydrophobicContact CD1-CD1 4.04Å; I384-G386 VanDerWaalsContact C-N 3.35Å; I384-E426 HydrophobicContact CD1-CB 4.35Å; I384-E426 HydrophobicContact CG2-CB 4.13Å; I384-I427 HydrophobicContact CG2-CG1 4.26Å; I384-A430 HydrophobicContact CB-CB 4.17Å; I384-A430 HydrophobicContact CG2-CB 3.89Å
385L92.7Very high89.3Confident5 Ų574.6 Ų74.63%0.02640%0.404CS..Hα-helixtrans-84.6-5176.8-69.8-177.1000114.1Y381 Y382 K383 V387 I396 A399 I427 A430 L434Y381-L385 PolarHBondContact O-N 3.21Å; Y382-L385 PolarHBondContact O-N 2.92Å; K383-L385 VanDerWaalsContact C-N 3.33Å; K383-L385 PolarHBondContact O-N 3.44Å; L385-V387 VanDerWaalsContact C-N 3.31Å; L385-V387 HydrophobicContact CB-CG2 3.95Å; L385-V387 PolarHBondContact O-N 3.4Å; L385-I396 HydrophobicContact CD1-CG2 3.76Å; L385-A399 HydrophobicContact CB-CB 4.44Å; L385-I427 HydrophobicContact CD2-CG2 3.88Å; L385-A430 HydrophobicContact CD1-CB 3.97Å; L385-A430 HydrophobicContact CD2-CB 4.23Å; L385-A430 HydrophobicContact CG-CB 3.67Å; L385-L434 HydrophobicContact CD1-CD1 4.2Å
386G91.2Very high89.9Confident69 Ų6971.5 Ų71.571%0.71138%0.379SS*.THydrogen-bonded Turntrans64.831.7-178.300000113.9Y382 K383 I384Y382-G386 PolarHBondContact O-N 3.12Å; K383-G386 PolarHBondContact O-N 3.12Å; K383-G386 VanDerWaalsContact O-N 3.11Å; I384-G386 VanDerWaalsContact C-N 3.35Å
387V94.1Very high90.6Very high21 Ų2171 Ų7113%0.12737%0.37CS..  trans-115148.9-179-68.30000111.5Y382 L385 A391 I396 A399Y382-V387 HydrophobicContact CD1-CG2 4.11Å; Y382-V387 PolarHBondContact O-N 3.47Å; L385-V387 VanDerWaalsContact C-N 3.31Å; L385-V387 HydrophobicContact CB-CG2 3.95Å; L385-V387 PolarHBondContact O-N 3.4Å; V387-A391 HydrophobicContact CB-CB 3.82Å; V387-A391 HydrophobicContact CG2-CB 4.19Å; V387-I396 HydrophobicContact CG2-CG1 4.29Å; V387-A399 HydrophobicContact CG1-CB 3.38Å
388P90.7Very high91.5Very high83 Ų8372.4 Ų72.454%0.53937%0.371SS..  trans-67.6156.4174.429.3-35.2000111.1S390 A391P388-S390 PolarHBondContact O-N 3.34Å; P388-S390 VanDerWaalsContact O-N 3.1Å; P388-A391 HydrophobicContact CG-CB 4.23Å; P388-A391 WeakPolarHBondContact O-CB 3.43Å; P388-A391 PolarHBondContact O-N 3.35Å
389K88Confident92.3Very high152 Ų15268.9 Ų68.966%0.66136%0.361SS*.THydrogen-bonded Turntrans-56.7-27.5175.7-66.8-173.1176.9-176.30113.3Y382 A391 R440Y382-K389 HydrophobicContact CD2-CG 3.89Å; Y382-K389 HydrophobicContact CE2-CB 4.5Å; Y382-K389 HydrophobicContact CE2-CG 4.2Å; Y382-K389 HydrophobicContact CG-CG 4.12Å; K389-A391 VanDerWaalsContact C-N 3.28Å; K389-A391 PolarHBondContact O-N 2.85Å; K389-R440 PolarHBondContact O-NH2 2.67Å
390S91.1Very high93Very high107 Ų10764.2 Ų64.275%0.74834%0.344SS*.THydrogen-bonded Turntrans-80.91.8176.260.60000114.5P388 S392P388-S390 PolarHBondContact O-N 3.34Å; P388-S390 VanDerWaalsContact O-N 3.1Å; S390-S392 PolarHBondContact O-N 3.22Å
391A91.3Very high93.5Very high5 Ų566.7 Ų66.74%0.04135%0.348CS..  trans-61.4135.6-17600000112V387 P388 K389 D395 I396 R440V387-A391 HydrophobicContact CB-CB 3.82Å; V387-A391 HydrophobicContact CG2-CB 4.19Å; P388-A391 HydrophobicContact CG-CB 4.23Å; P388-A391 WeakPolarHBondContact O-CB 3.43Å; P388-A391 PolarHBondContact O-N 3.35Å; K389-A391 VanDerWaalsContact C-N 3.28Å; K389-A391 PolarHBondContact O-N 2.85Å; A391-D395 HydrophobicContact CB-CB 4.2Å; A391-I396 HydrophobicContact CB-CD1 4.48Å; A391-I396 HydrophobicContact CB-CG1 4.06Å; A391-R440 PolarHBondContact O-NH1 2.99Å; A391-R440 VanDerWaalsContact O-NH1 3.1Å; A391-R440 PolarHBondContact O-NH2 2.87Å
392S94.3Very high93.6Very high53 Ų5373.7 Ų73.737%0.37138%0.379SS..  trans-70.4159174.275.60000110.6S390 K394 D395 I396S390-S392 PolarHBondContact O-N 3.22Å; S392-K394 PolarHBondContact O-N 3.47Å; S392-K394 VanDerWaalsContact O-N 3.13Å; S392-K394 PolarHBondContact OG-N 3.38Å; S392-D395 WeakPolarHBondContact CB-OD2 3.38Å; S392-D395 PolarHBondContact N-OD2 2.87Å; S392-D395 PolarHBondContact O-N 2.91Å; S392-D395 PolarHBondContact OG-N 3.45Å; S392-D395 PolarHBondContact OG-OD2 2.87Å; S392-I396 WeakPolarHBondContact O-CG1 3.39Å; S392-I396 PolarHBondContact O-N 3.43Å
393K95.3Very high93.6Very high102 Ų10275.3 Ų75.344%0.44339%0.387SS..Hα-helixtrans-53.4-33.8174.1-173.6166.9175.6159.20112.4L397 T435K393-L397 HydrophobicContact CG-CD1 4.49Å; K393-L397 WeakPolarHBondContact O-CG 3.39Å; K393-L397 PolarHBondContact O-N 2.94Å; K393-T435 WeakPolarHBondContact CE-O 3.34Å; K393-T435 HydrophobicContact CG-CG2 4.3Å; K393-T435 PolarHBondContact NZ-O 3.32Å
394K95.4Very high93.8Very high166 Ų16667.2 Ų67.272%0.72235%0.352SS*.Hα-helixtrans-67.7-41.4176-174.7178.8178179.90112.2S392 L397 K398S392-K394 PolarHBondContact O-N 3.47Å; S392-K394 VanDerWaalsContact O-N 3.13Å; S392-K394 PolarHBondContact OG-N 3.38Å; K394-L397 PolarHBondContact O-N 3Å; K394-K398 WeakPolarHBondContact O-CB 3.3Å; K394-K398 PolarHBondContact O-N 2.79Å
395D95Very high93.8Very high81 Ų8167.9 Ų67.943%0.43336%0.362SS..Hα-helixtrans-68.3-40.9177.9-58.9-45.2000111.1A391 S392 K398 A399A391-D395 HydrophobicContact CB-CB 4.2Å; S392-D395 WeakPolarHBondContact CB-OD2 3.38Å; S392-D395 PolarHBondContact N-OD2 2.87Å; S392-D395 PolarHBondContact O-N 2.91Å; S392-D395 PolarHBondContact OG-N 3.45Å; S392-D395 PolarHBondContact OG-OD2 2.87Å; D395-K398 PolarHBondContact O-N 3.44Å; D395-A399 WeakPolarHBondContact O-CB 3.34Å; D395-A399 PolarHBondContact O-N 3.07Å
396I95.2Very high93.8Very high0 Ų071.5 Ų71.50%038%0.379CS..Hα-helixtrans-58.6-48.1174.4-68.8158000110.7L385 V387 A391 S392 K398 A399 Y400 L434 T435 R440L385-I396 HydrophobicContact CD1-CG2 3.76Å; V387-I396 HydrophobicContact CG2-CG1 4.29Å; A391-I396 HydrophobicContact CB-CD1 4.48Å; A391-I396 HydrophobicContact CB-CG1 4.06Å; S392-I396 WeakPolarHBondContact O-CG1 3.39Å; S392-I396 PolarHBondContact O-N 3.43Å; I396-K398 VanDerWaalsContact C-N 3.33Å; I396-K398 PolarHBondContact O-N 3.37Å; I396-A399 PolarHBondContact O-N 3.41Å; I396-Y400 WeakPolarHBondContact O-CB 3.41Å; I396-Y400 PolarHBondContact O-N 2.95Å; I396-L434 HydrophobicContact CD1-CB 3.91Å; I396-L434 HydrophobicContact CG1-CB 4.41Å; I396-L434 HydrophobicContact CG2-CB 3.87Å; I396-T435 HydrophobicContact CB-CG2 4.39Å; I396-T435 HydrophobicContact CG2-CG2 3.58Å; I396-R440 VanDerWaalsContact CD1-NH1 3.28Å
397L96.6Very high93.7Very high58 Ų5870.5 Ų70.530%0.30435%0.354SS..Hα-helixtrans-65.6-33.8177.2-72.8171.2000113K393 K394 R401 K431 T435K393-L397 HydrophobicContact CG-CD1 4.49Å; K393-L397 WeakPolarHBondContact O-CG 3.39Å; K393-L397 PolarHBondContact O-N 2.94Å; K394-L397 PolarHBondContact O-N 3Å; L397-R401 WeakPolarHBondContact O-CG 3.34Å; L397-R401 PolarHBondContact O-N 3.21Å; L397-R401 VanDerWaalsContact O-N 3.1Å; L397-R401 PolarHBondContact O-NE 3.38Å; L397-K431 HydrophobicContact CD2-CG 4.33Å; L397-T435 HydrophobicContact CD2-CG2 3.86Å; L397-T435 HydrophobicContact CG-CG2 3.99Å
398K96.3Very high93.7Very high145 Ų14571.5 Ų71.563%0.6336%0.357SS*.Hα-helixtrans-66.9-45.2174-174.2-178.7177.9-176.50111.1K394 D395 I396 R401 K402K394-K398 WeakPolarHBondContact O-CB 3.3Å; K394-K398 PolarHBondContact O-N 2.79Å; D395-K398 PolarHBondContact O-N 3.44Å; I396-K398 VanDerWaalsContact C-N 3.33Å; I396-K398 PolarHBondContact O-N 3.37Å; K398-R401 PolarHBondContact O-N 2.99Å; K398-K402 PolarHBondContact O-N 3.09Å; K398-K402 VanDerWaalsContact O-N 3.14Å
399A95.5Very high93.5Very high17 Ų1767.9 Ų67.914%0.1433%0.333CS..Hα-helixtrans-64.3-44.8177.200000111.9L385 V387 D395 I396 R401 K402 M403L385-A399 HydrophobicContact CB-CB 4.44Å; V387-A399 HydrophobicContact CG1-CB 3.38Å; D395-A399 WeakPolarHBondContact O-CB 3.34Å; D395-A399 PolarHBondContact O-N 3.07Å; I396-A399 PolarHBondContact O-N 3.41Å; A399-R401 PolarHBondContact O-N 3.1Å; A399-K402 PolarHBondContact O-N 3.44Å; A399-M403 WeakPolarHBondContact O-CB 3.12Å; A399-M403 WeakPolarHBondContact O-CG 3.35Å; A399-M403 PolarHBondContact O-N 3.46Å
400Y96.6Very high93.6Very high11 Ų1166.3 Ų66.34%0.04333%0.332CS..Hα-helixtrans-54.1-52.3172.9167.7-103.2000111.9I396 K402 M403 A404 I427 K431 P475I396-Y400 WeakPolarHBondContact O-CB 3.41Å; I396-Y400 PolarHBondContact O-N 2.95Å; Y400-K402 VanDerWaalsContact C-N 3.29Å; Y400-K402 PolarHBondContact O-N 3.17Å; Y400-M403 PolarHBondContact O-N 2.9Å; Y400-A404 HydrophobicContact CE1-CB 4.47Å; Y400-A404 HydrophobicContact CE2-CB 4.17Å; Y400-A404 WeakPolarHBondContact O-CB 3.29Å; Y400-A404 PolarHBondContact O-N 3.11Å; Y400-I427 HydrophobicContact CD2-CG2 3.57Å; Y400-I427 HydrophobicContact CE2-CG2 3.9Å; Y400-K431 HydrophobicContact CD1-CD 4.36Å; Y400-K431 HydrophobicContact CD1-CG 4Å; Y400-K431 HydrophobicContact CD2-CB 3.44Å; Y400-K431 VanDerWaalsContact CD2-CB 3.44Å; Y400-K431 HydrophobicContact CD2-CD 4.37Å; Y400-K431 HydrophobicContact CD2-CG 3.84Å; Y400-K431 HydrophobicContact CE1-CD 4.29Å; Y400-K431 HydrophobicContact CE1-CG 4.41Å; Y400-K431 HydrophobicContact CE2-CB 3.99Å; Y400-K431 HydrophobicContact CE2-CD 4.3Å; Y400-K431 HydrophobicContact CE2-CG 4.27Å; Y400-K431 HydrophobicContact CG-CB 3.75Å; Y400-K431 HydrophobicContact CG-CD 4.41Å; Y400-K431 HydrophobicContact CG-CG 3.7Å; Y400-P475 HydrophobicContact CE1-CB 4.01Å
401R96.2Very high93.6Very high116 Ų11667.2 Ų67.244%0.43832%0.323SS..Hα-helixtrans-59-41179.9-77.8-178.8-69.7-1530.1112.5L397 K398 A399 A405L397-R401 WeakPolarHBondContact O-CG 3.34Å; L397-R401 PolarHBondContact O-N 3.21Å; L397-R401 VanDerWaalsContact O-N 3.1Å; L397-R401 PolarHBondContact O-NE 3.38Å; K398-R401 PolarHBondContact O-N 2.99Å; A399-R401 PolarHBondContact O-N 3.1Å; R401-A405 WeakPolarHBondContact O-CB 3.37Å; R401-A405 PolarHBondContact O-N 2.99Å; R401-A405 VanDerWaalsContact O-N 3.09Å
402K95.3Very high93.5Very high148 Ų14869.5 Ų69.564%0.64333%0.332SS*.Hα-helixtrans-61.4-51.7176.2-176.2-174.4173.9-170.40111.1K398 A399 Y400 A405 E406K398-K402 PolarHBondContact O-N 3.09Å; K398-K402 VanDerWaalsContact O-N 3.14Å; A399-K402 PolarHBondContact O-N 3.44Å; Y400-K402 VanDerWaalsContact C-N 3.29Å; Y400-K402 PolarHBondContact O-N 3.17Å; K402-A405 PolarHBondContact O-N 2.77Å; K402-E406 PolarHBondContact O-N 3.43Å
403M93.3Very high93.1Very high39 Ų3975.1 Ų75.119%0.19235%0.352CS..Hα-helixtrans-66.8-40.2-178.6-68.5-66.7-74.700112.1A399 Y400 A405 E406 Y407 I427A399-M403 WeakPolarHBondContact O-CB 3.12Å; A399-M403 WeakPolarHBondContact O-CG 3.35Å; A399-M403 PolarHBondContact O-N 3.46Å; Y400-M403 PolarHBondContact O-N 2.9Å; M403-A405 VanDerWaalsContact C-N 3.34Å; M403-A405 PolarHBondContact O-N 2.76Å; M403-E406 WeakPolarHBondContact O-CB 3.25Å; M403-E406 PolarHBondContact O-N 3.12Å; M403-E406 VanDerWaalsContact O-N 3.15Å; M403-Y407 HydrophobicContact CE-CD2 3.97Å; M403-Y407 HydrophobicContact CE-CE2 3.56Å; M403-Y407 WeakPolarHBondContact O-CD2 3.42Å; M403-Y407 PolarHBondContact O-N 3.21Å; M403-Y407 HydrophobicContact SD-CD2 4.49Å; M403-Y407 HydrophobicContact SD-CE2 4.13Å; M403-I427 HydrophobicContact CB-CD1 3.86Å; M403-I427 HydrophobicContact CB-CG1 4.13Å; M403-I427 HydrophobicContact CB-CG2 3.94Å; M403-I427 HydrophobicContact CE-CD1 4.13Å; M403-I427 HydrophobicContact CE-CG1 4.37Å
404A93.6Very high92.9Very high0 Ų073.1 Ų73.10%036%0.361CS..Hα-helixtrans-63-38.8177.300000111.9Y400 H408 F424 P475Y400-A404 HydrophobicContact CE1-CB 4.47Å; Y400-A404 HydrophobicContact CE2-CB 4.17Å; Y400-A404 WeakPolarHBondContact O-CB 3.29Å; Y400-A404 PolarHBondContact O-N 3.11Å; A404-H408 WeakPolarHBondContact O-CA 3.44Å; A404-H408 WeakPolarHBondContact O-CB 3.45Å; A404-H408 PolarHBondContact O-N 2.96Å; A404-H408 VanDerWaalsContact O-N 3.08Å; A404-F424 HydrophobicContact CB-CE2 3.76Å; A404-F424 HydrophobicContact CB-CZ 4.4Å; A404-P475 HydrophobicContact CB-CB 4.03Å; A404-P475 HydrophobicContact CB-CG 4.1Å
405A92.3Very high92.4Very high47 Ų4772.9 Ų72.939%0.38836%0.362SS..Hα-helixtrans-71.8-30.7173.400000112.9R401 K402 M403 K411R401-A405 WeakPolarHBondContact O-CB 3.37Å; R401-A405 PolarHBondContact O-N 2.99Å; R401-A405 VanDerWaalsContact O-N 3.09Å; K402-A405 PolarHBondContact O-N 2.77Å; M403-A405 VanDerWaalsContact C-N 3.34Å; M403-A405 PolarHBondContact O-N 2.76Å; A405-K411 VanDerWaalsContact O-CD 3.24Å; A405-K411 WeakPolarHBondContact O-CD 3.35Å; A405-K411 PolarHBondContact O-NZ 3.49Å; A405-K411 VanDerWaalsContact O-NZ 3.08Å
406E91.9Very high91.9Very high81 Ų8174.8 Ų74.838%0.37937%0.368SS..Hα-helixtrans-70-48.4176.6-169.7175.6150.100111.5K402 M403 K411K402-E406 PolarHBondContact O-N 3.43Å; M403-E406 WeakPolarHBondContact O-CB 3.25Å; M403-E406 PolarHBondContact O-N 3.12Å; M403-E406 VanDerWaalsContact O-N 3.15Å; E406-K411 PolarHBondContact O-NZ 3.43Å
407Y90.1Very high91.8Very high49 Ų4980 Ų8019%0.19239%0.388CS..SBendtrans-101.318.3-172.9-67.9-76.8000114.4M403 K423 I427M403-Y407 HydrophobicContact CE-CD2 3.97Å; M403-Y407 HydrophobicContact CE-CE2 3.56Å; M403-Y407 WeakPolarHBondContact O-CD2 3.42Å; M403-Y407 PolarHBondContact O-N 3.21Å; M403-Y407 HydrophobicContact SD-CD2 4.49Å; M403-Y407 HydrophobicContact SD-CE2 4.13Å; Y407-K423 HydrophobicContact CD1-CB 4.11Å; Y407-K423 HydrophobicContact CD1-CD 3.51Å; Y407-K423 HydrophobicContact CD1-CG 4.47Å; Y407-K423 HydrophobicContact CE1-CD 3.31Å; Y407-K423 HydrophobicContact CG-CB 4.32Å; Y407-K423 HydrophobicContact CG-CD 4.37Å; Y407-I427 HydrophobicContact CD2-CD1 3.68Å; Y407-I427 HydrophobicContact CG-CD1 4.02Å
408H93Very high91.3Very high42 Ų4280.6 Ų80.619%0.19439%0.394CS..  trans-61127.3177.1-161.5-87000110.6A404 D410 K411 F412A404-H408 WeakPolarHBondContact O-CA 3.44Å; A404-H408 WeakPolarHBondContact O-CB 3.45Å; A404-H408 PolarHBondContact O-N 2.96Å; A404-H408 VanDerWaalsContact O-N 3.08Å; H408-D410 VanDerWaalsContact CE1-CG 3.5Å; H408-D410 IonicContact CE1-OD2 3.92Å; H408-D410 PolarHBondContact CE1-OD2 3.12Å; H408-D410 WeakPolarHBondContact ND1-CB 3.47Å; H408-D410 PolarHBondContact ND1-N 3.34Å; H408-D410 IonicContact ND1-OD2 3.04Å; H408-D410 PolarHBondContact ND1-OD2 2.96Å; H408-D410 PolarHBondContact O-N 3.41Å; H408-D410 VanDerWaalsContact O-N 3.1Å; H408-K411 HydrophobicContact CB-CD 4.36Å; H408-K411 WeakPolarHBondContact O-CB 3.21Å; H408-K411 PolarHBondContact O-N 3.31Å; H408-F412 WeakPolarHBondContact O-CD2 3.43Å
409P87Confident90.7Very high6 Ų679.2 Ų79.24%0.03939%0.39CS..G310 helixtrans-52.7-35-175.9-31.437.5000114.9K411 F412 R417 E421P409-K411 PolarHBondContact O-N 3.4Å; P409-K411 VanDerWaalsContact O-N 3.1Å; P409-F412 PolarHBondContact O-N 3.43Å; P409-F412 VanDerWaalsContact O-N 3.08Å; P409-R417 HydrophobicContact CB-CG 4.29Å; P409-E421 HydrophobicContact CB-CG 3.67Å; P409-E421 HydrophobicContact CG-CB 4.48Å; P409-E421 HydrophobicContact CG-CG 3.55Å
410D90.4Very high90.4Very high119 Ų11978.5 Ų78.564%0.63638%0.384SS*.G310 helixtrans-63.4-15.6-179.2-62.7-11.2000114.5H408 F412H408-D410 VanDerWaalsContact CE1-CG 3.5Å; H408-D410 IonicContact CE1-OD2 3.92Å; H408-D410 PolarHBondContact CE1-OD2 3.12Å; H408-D410 WeakPolarHBondContact ND1-CB 3.47Å; H408-D410 PolarHBondContact ND1-N 3.34Å; H408-D410 IonicContact ND1-OD2 3.04Å; H408-D410 PolarHBondContact ND1-OD2 2.96Å; H408-D410 PolarHBondContact O-N 3.41Å; H408-D410 VanDerWaalsContact O-N 3.1Å; D410-F412 VanDerWaalsContact C-N 3.29Å
411K90.6Very high90.1Very high127 Ų12780.3 Ų80.355%0.55239%0.393SS*.G310 helixtrans-81.2-9.8177-66.9175.266-166.40113.3A405 E406 H408 P409A405-K411 VanDerWaalsContact O-CD 3.24Å; A405-K411 WeakPolarHBondContact O-CD 3.35Å; A405-K411 PolarHBondContact O-NZ 3.49Å; A405-K411 VanDerWaalsContact O-NZ 3.08Å; E406-K411 PolarHBondContact O-NZ 3.43Å; H408-K411 HydrophobicContact CB-CD 4.36Å; H408-K411 WeakPolarHBondContact O-CB 3.21Å; H408-K411 PolarHBondContact O-N 3.31Å; P409-K411 PolarHBondContact O-N 3.4Å; P409-K411 VanDerWaalsContact O-N 3.1Å
412F89.7Confident89.7Confident53 Ų5381.5 Ų81.523%0.23240%0.401CS..  trans-126.7157.4-171.1-56.7-85.5000110.8H408 P409 D410 E416 R417 A420H408-F412 WeakPolarHBondContact O-CD2 3.43Å; P409-F412 PolarHBondContact O-N 3.43Å; P409-F412 VanDerWaalsContact O-N 3.08Å; D410-F412 VanDerWaalsContact C-N 3.29Å; F412-E416 HydrophobicContact CB-CB 4.04Å; F412-E416 HydrophobicContact CD1-CB 4.05Å; F412-E416 HydrophobicContact CG-CB 4.43Å; F412-R417 HydrophobicContact CB-CB 4.12Å; F412-A420 HydrophobicContact CB-CB 4.4Å; F412-A420 HydrophobicContact CD2-CB 3.33Å; F412-A420 HydrophobicContact CE2-CB 3.69Å; F412-A420 HydrophobicContact CG-CB 3.94Å
413Q86.7Confident89.5Confident170 Ų17078.7 Ų78.779%0.79439%0.389SS*.  trans-131.8158.5177.2-62.6-176.99.500110.1E416Q413-E416 PolarHBondContact O-N 2.96Å
414G89.4Confident89.5Confident60 Ų6077.1 Ų77.162%0.61938%0.381SS*.Hα-helixtrans60.4-139.2178.700000113.5E416 R417G414-E416 VanDerWaalsContact C-N 3.27Å; G414-E416 PolarHBondContact O-N 3.48Å; G414-R417 WeakPolarHBondContact O-CB 3.46Å; G414-R417 PolarHBondContact O-N 3.04Å
415E85.6Confident89.3Confident162 Ų16280.7 Ų80.776%0.75740%0.403SS*.Hα-helixtrans-62.3-31.9-178.7-67.4-174168.600113.2R417 V418 Q419E415-R417 VanDerWaalsContact C-N 3.28Å; E415-R417 PolarHBondContact O-N 3.43Å; E415-V418 PolarHBondContact O-N 3.2Å; E415-Q419 WeakPolarHBondContact O-CG 3.31Å; E415-Q419 PolarHBondContact O-N 3.27Å
416E85.6Confident89.3Confident120 Ų12082.1 Ų82.156%0.56140%0.402SS*.Hα-helixtrans-63.7-35.8177.4-64.8-174.3167.400111.6F412 Q413 G414 V418 Q419 A420F412-E416 HydrophobicContact CB-CB 4.04Å; F412-E416 HydrophobicContact CD1-CB 4.05Å; F412-E416 HydrophobicContact CG-CB 4.43Å; Q413-E416 PolarHBondContact O-N 2.96Å; G414-E416 VanDerWaalsContact C-N 3.27Å; G414-E416 PolarHBondContact O-N 3.48Å; E416-V418 VanDerWaalsContact C-N 3.34Å; E416-V418 PolarHBondContact O-N 3.27Å; E416-Q419 PolarHBondContact O-N 2.82Å; E416-A420 WeakPolarHBondContact O-CB 3.47Å; E416-A420 PolarHBondContact O-N 2.89Å
417R91.4Very high89.4Confident109 Ų10978.5 Ų78.541%0.41139%0.385SS..Hα-helixtrans-61.7-43.4174.2-178.5176.7169.2157.36.6111.4P409 F412 G414 E415 Q419 A420 E421P409-R417 HydrophobicContact CB-CG 4.29Å; F412-R417 HydrophobicContact CB-CB 4.12Å; G414-R417 WeakPolarHBondContact O-CB 3.46Å; G414-R417 PolarHBondContact O-N 3.04Å; E415-R417 VanDerWaalsContact C-N 3.28Å; E415-R417 PolarHBondContact O-N 3.43Å; R417-Q419 VanDerWaalsContact C-N 3.31Å; R417-Q419 PolarHBondContact O-N 3.48Å; R417-A420 PolarHBondContact O-N 3.29Å; R417-E421 HydrophobicContact CG-CG 4.41Å; R417-E421 WeakPolarHBondContact CG-OE1 3.4Å; R417-E421 IonicContact CZ-OE1 3.91Å; R417-E421 IonicContact NE-OE1 2.61Å; R417-E421 PolarHBondContact NE-OE1 2.99Å; R417-E421 IonicContact NH2-OE1 3.31Å; R417-E421 WeakPolarHBondContact O-CB 3.41Å; R417-E421 VanDerWaalsContact O-CG 3.3Å; R417-E421 WeakPolarHBondContact O-CG 3.46Å; R417-E421 PolarHBondContact O-N 3.14Å
418V86.4Confident89.6Confident72 Ų7277 Ų7744%0.43638%0.381SS..Hα-helixtrans-63.5-38.6177.5-179.50000111E415 E416 K422E415-V418 PolarHBondContact O-N 3.2Å; E416-V418 VanDerWaalsContact C-N 3.34Å; E416-V418 PolarHBondContact O-N 3.27Å; V418-K422 WeakPolarHBondContact O-CG 3.4Å; V418-K422 PolarHBondContact O-N 3.4Å; V418-K422 VanDerWaalsContact O-N 3.16Å
419Q84.7Confident89.6Confident115 Ų11575.5 Ų75.554%0.53738%0.376SS..Hα-helixtrans-67.8-42174.8-65.8-179.819.100112.2E415 E416 R417 K422 K423E415-Q419 WeakPolarHBondContact O-CG 3.31Å; E415-Q419 PolarHBondContact O-N 3.27Å; E416-Q419 PolarHBondContact O-N 2.82Å; R417-Q419 VanDerWaalsContact C-N 3.31Å; R417-Q419 PolarHBondContact O-N 3.48Å; Q419-K422 PolarHBondContact O-N 3.04Å; Q419-K423 PolarHBondContact O-N 3.35Å
420A87.6Confident89.9Confident3 Ų375.2 Ų75.23%0.02537%0.374CS..Hα-helixtrans-62.9-42.917600000111.4F412 E416 R417 K422 K423 F424F412-A420 HydrophobicContact CB-CB 4.4Å; F412-A420 HydrophobicContact CD2-CB 3.33Å; F412-A420 HydrophobicContact CE2-CB 3.69Å; F412-A420 HydrophobicContact CG-CB 3.94Å; E416-A420 WeakPolarHBondContact O-CB 3.47Å; E416-A420 PolarHBondContact O-N 2.89Å; R417-A420 PolarHBondContact O-N 3.29Å; A420-K422 PolarHBondContact O-N 3.26Å; A420-K423 PolarHBondContact O-N 2.96Å; A420-F424 VanDerWaalsContact O-CB 3.28Å; A420-F424 WeakPolarHBondContact O-CB 3.25Å; A420-F424 PolarHBondContact O-N 2.97Å
421E91.5Very high90.2Very high48 Ų4872.8 Ų72.822%0.22436%0.358CS..Hα-helixtrans-58.2-46.2174.7-76.4171.2-175.100111.7P409 R417 K423 F424 V425 F470P409-E421 HydrophobicContact CB-CG 3.67Å; P409-E421 HydrophobicContact CG-CB 4.48Å; P409-E421 HydrophobicContact CG-CG 3.55Å; R417-E421 HydrophobicContact CG-CG 4.41Å; R417-E421 WeakPolarHBondContact CG-OE1 3.4Å; R417-E421 IonicContact CZ-OE1 3.91Å; R417-E421 IonicContact NE-OE1 2.61Å; R417-E421 PolarHBondContact NE-OE1 2.99Å; R417-E421 IonicContact NH2-OE1 3.31Å; R417-E421 WeakPolarHBondContact O-CB 3.41Å; R417-E421 VanDerWaalsContact O-CG 3.3Å; R417-E421 WeakPolarHBondContact O-CG 3.46Å; R417-E421 PolarHBondContact O-N 3.14Å; E421-K423 PolarHBondContact O-N 3.25Å; E421-F424 PolarHBondContact O-N 3.07Å; E421-V425 WeakPolarHBondContact O-CG2 3.29Å; E421-V425 PolarHBondContact O-N 3.46Å; E421-F470 HydrophobicContact CB-CZ 4.25Å; E421-F470 HydrophobicContact CG-CZ 4.19Å
422K88.6Confident90.3Very high142 Ų14270.1 Ų70.162%0.61735%0.348SS*.Hα-helixtrans-59.5-47.6175.8-72.6176.9-177.8-179.20112.1V418 Q419 A420 F424 V425 E426V418-K422 WeakPolarHBondContact O-CG 3.4Å; V418-K422 PolarHBondContact O-N 3.4Å; V418-K422 VanDerWaalsContact O-N 3.16Å; Q419-K422 PolarHBondContact O-N 3.04Å; A420-K422 PolarHBondContact O-N 3.26Å; K422-F424 PolarHBondContact O-N 3.27Å; K422-V425 PolarHBondContact O-N 3.25Å; K422-E426 PolarHBondContact O-N 3.28Å
423K89.7Confident90.5Very high88 Ų8867.6 Ų67.638%0.38334%0.337SS..Hα-helixtrans-63.3-40.8176.9-73.3-177.5177.4179.90112Y407 Q419 A420 E421 V425 E426 I427Y407-K423 HydrophobicContact CD1-CB 4.11Å; Y407-K423 HydrophobicContact CD1-CD 3.51Å; Y407-K423 HydrophobicContact CD1-CG 4.47Å; Y407-K423 HydrophobicContact CE1-CD 3.31Å; Y407-K423 HydrophobicContact CG-CB 4.32Å; Y407-K423 HydrophobicContact CG-CD 4.37Å; Q419-K423 PolarHBondContact O-N 3.35Å; A420-K423 PolarHBondContact O-N 2.96Å; E421-K423 PolarHBondContact O-N 3.25Å; K423-V425 VanDerWaalsContact C-N 3.3Å; K423-V425 PolarHBondContact O-N 3.22Å; K423-E426 WeakPolarHBondContact O-CB 3.22Å; K423-E426 PolarHBondContact O-N 3.4Å; K423-E426 VanDerWaalsContact O-N 3.16Å; K423-I427 WeakPolarHBondContact O-CD1 3.06Å; K423-I427 VanDerWaalsContact O-CG1 3.27Å; K423-I427 WeakPolarHBondContact O-CG1 3.35Å; K423-I427 PolarHBondContact O-N 3.18Å
424F93.3Very high90.9Very high6 Ų659.5 Ų59.53%0.02630%0.299CS..Hα-helixtrans-63.4-37.2179.6-168.3-89.3000111.9A404 A420 E421 K422 I427 S428 F470 M473A404-F424 HydrophobicContact CB-CE2 3.76Å; A404-F424 HydrophobicContact CB-CZ 4.4Å; A420-F424 VanDerWaalsContact O-CB 3.28Å; A420-F424 WeakPolarHBondContact O-CB 3.25Å; A420-F424 PolarHBondContact O-N 2.97Å; E421-F424 PolarHBondContact O-N 3.07Å; K422-F424 PolarHBondContact O-N 3.27Å; F424-I427 PolarHBondContact O-N 3.36Å; F424-S428 WeakPolarHBondContact O-CB 3.06Å; F424-S428 PolarHBondContact O-N 3.06Å; F424-S428 PolarHBondContact O-OG 3.46Å; F424-F470 HydrophobicContact CD1-CE1 4.39Å; F424-M473 HydrophobicContact CE1-CB 4.47Å
425V90.9Very high91.2Very high75 Ų7557.6 Ų57.646%0.45528%0.275SS..Hα-helixtrans-62.3-44.8172.2171.10000111.1E421 K422 K423 S428 A429 F470E421-V425 WeakPolarHBondContact O-CG2 3.29Å; E421-V425 PolarHBondContact O-N 3.46Å; K422-V425 PolarHBondContact O-N 3.25Å; K423-V425 VanDerWaalsContact C-N 3.3Å; K423-V425 PolarHBondContact O-N 3.22Å; V425-S428 PolarHBondContact O-N 2.62Å; V425-A429 WeakPolarHBondContact O-CB 3.28Å; V425-A429 PolarHBondContact O-N 3.09Å; V425-F470 HydrophobicContact CG2-CZ 4.3Å
426E90.9Very high91.6Very high78 Ų7852.7 Ų52.736%0.36425%0.254SS..Hα-helixtrans-63.3-43.9176.8-69.2180173.600112.6I384 K422 K423 S428 A429 A430I384-E426 HydrophobicContact CD1-CB 4.35Å; I384-E426 HydrophobicContact CG2-CB 4.13Å; K422-E426 PolarHBondContact O-N 3.28Å; K423-E426 WeakPolarHBondContact O-CB 3.22Å; K423-E426 PolarHBondContact O-N 3.4Å; K423-E426 VanDerWaalsContact O-N 3.16Å; E426-S428 VanDerWaalsContact C-N 3.3Å; E426-S428 PolarHBondContact O-N 3.37Å; E426-A429 PolarHBondContact O-N 3.38Å; E426-A430 WeakPolarHBondContact O-CB 3.42Å; E426-A430 PolarHBondContact O-N 2.97Å
427I94Very high91.9Very high4 Ų452 Ų522%0.02126%0.255CS..Hα-helixtrans-60.5-41.6176.4-70.6158.1000110.8I384 L385 Y400 M403 Y407 K423 F424 A430 K431I384-I427 HydrophobicContact CG2-CG1 4.26Å; L385-I427 HydrophobicContact CD2-CG2 3.88Å; Y400-I427 HydrophobicContact CD2-CG2 3.57Å; Y400-I427 HydrophobicContact CE2-CG2 3.9Å; M403-I427 HydrophobicContact CB-CD1 3.86Å; M403-I427 HydrophobicContact CB-CG1 4.13Å; M403-I427 HydrophobicContact CB-CG2 3.94Å; M403-I427 HydrophobicContact CE-CD1 4.13Å; M403-I427 HydrophobicContact CE-CG1 4.37Å; Y407-I427 HydrophobicContact CD2-CD1 3.68Å; Y407-I427 HydrophobicContact CG-CD1 4.02Å; K423-I427 WeakPolarHBondContact O-CD1 3.06Å; K423-I427 VanDerWaalsContact O-CG1 3.27Å; K423-I427 WeakPolarHBondContact O-CG1 3.35Å; K423-I427 PolarHBondContact O-N 3.18Å; F424-I427 PolarHBondContact O-N 3.36Å; I427-A430 PolarHBondContact O-N 3.37Å; I427-K431 PolarHBondContact O-N 3.11Å
428S94.3Very high92Very high18 Ų1853.8 Ų53.813%0.12627%0.267CS..Hα-helixtrans-69.6-43.7179.4-600000111.8F424 V425 E426 A430 K431 E432F424-S428 WeakPolarHBondContact O-CB 3.06Å; F424-S428 PolarHBondContact O-N 3.06Å; F424-S428 PolarHBondContact O-OG 3.46Å; V425-S428 PolarHBondContact O-N 2.62Å; E426-S428 VanDerWaalsContact C-N 3.3Å; E426-S428 PolarHBondContact O-N 3.37Å; S428-A430 VanDerWaalsContact C-N 3.33Å; S428-A430 PolarHBondContact O-N 3.34Å; S428-K431 PolarHBondContact O-N 3.03Å; S428-E432 PolarHBondContact O-N 2.83Å
429A92.6Very high92.3Very high10 Ų1052.8 Ų52.88%0.08326%0.257CS..Hα-helixtrans-58.5-44172.600000111.5Y381 V425 E426 K431 E432 V433 L450Y381-A429 HydrophobicContact CE1-CB 4.12Å; V425-A429 WeakPolarHBondContact O-CB 3.28Å; V425-A429 PolarHBondContact O-N 3.09Å; E426-A429 PolarHBondContact O-N 3.38Å; A429-K431 PolarHBondContact O-N 2.73Å; A429-E432 WeakPolarHBondContact O-CB 3.32Å; A429-E432 PolarHBondContact O-N 2.92Å; A429-V433 WeakPolarHBondContact O-CG2 3.32Å; A429-V433 PolarHBondContact O-N 3.33Å; A429-L450 HydrophobicContact CB-CD1 3.67Å
430A93.7Very high92.7Very high0 Ų049.1 Ų49.10%024%0.238CC..Hα-helixtrans-62.1-4117700000112.8Y381 I384 L385 E426 I427 S428 L434Y381-A430 HydrophobicContact CD1-CB 3.69Å; Y381-A430 HydrophobicContact CG-CB 4.19Å; I384-A430 HydrophobicContact CB-CB 4.17Å; I384-A430 HydrophobicContact CG2-CB 3.89Å; L385-A430 HydrophobicContact CD1-CB 3.97Å; L385-A430 HydrophobicContact CD2-CB 4.23Å; L385-A430 HydrophobicContact CG-CB 3.67Å; E426-A430 WeakPolarHBondContact O-CB 3.42Å; E426-A430 PolarHBondContact O-N 2.97Å; I427-A430 PolarHBondContact O-N 3.37Å; S428-A430 VanDerWaalsContact C-N 3.33Å; S428-A430 PolarHBondContact O-N 3.34Å; A430-L434 VanDerWaalsContact O-CB 3.28Å; A430-L434 WeakPolarHBondContact O-CB 3.46Å; A430-L434 VanDerWaalsContact O-CG 3.28Å; A430-L434 WeakPolarHBondContact O-CG 3.22Å; A430-L434 PolarHBondContact O-N 2.86Å
431K96Very high92.9Very high69 Ų6952.4 Ų52.430%0.326%0.258SS..Hα-helixtrans-63.9-44.3174.3173.6-109177.7173.70111.4L397 Y400 I427 S428 A429 V433 T435L397-K431 HydrophobicContact CD2-CG 4.33Å; Y400-K431 HydrophobicContact CD1-CD 4.36Å; Y400-K431 HydrophobicContact CD1-CG 4Å; Y400-K431 HydrophobicContact CD2-CB 3.44Å; Y400-K431 VanDerWaalsContact CD2-CB 3.44Å; Y400-K431 HydrophobicContact CD2-CD 4.37Å; Y400-K431 HydrophobicContact CD2-CG 3.84Å; Y400-K431 HydrophobicContact CE1-CD 4.29Å; Y400-K431 HydrophobicContact CE1-CG 4.41Å; Y400-K431 HydrophobicContact CE2-CB 3.99Å; Y400-K431 HydrophobicContact CE2-CD 4.3Å; Y400-K431 HydrophobicContact CE2-CG 4.27Å; Y400-K431 HydrophobicContact CG-CB 3.75Å; Y400-K431 HydrophobicContact CG-CD 4.41Å; Y400-K431 HydrophobicContact CG-CG 3.7Å; I427-K431 PolarHBondContact O-N 3.11Å; S428-K431 PolarHBondContact O-N 3.03Å; A429-K431 PolarHBondContact O-N 2.73Å; K431-V433 PolarHBondContact O-N 3.45Å; K431-T435 HydrophobicContact CG-CG2 4.26Å; K431-T435 WeakPolarHBondContact O-CB 3.28Å; K431-T435 VanDerWaalsContact O-CG2 3.32Å; K431-T435 WeakPolarHBondContact O-CG2 3.43Å; K431-T435 PolarHBondContact O-N 3.42Å; K431-T435 VanDerWaalsContact O-N 3.09Å; K431-T435 PolarHBondContact O-OG1 2.97Å
432E94.7Very high92.7Very high71 Ų7153 Ų5333%0.33226%0.261SS..Hα-helixtrans-58-48.6177.7-173.2-175.4158.600111.7S428 A429 D436 K439S428-E432 PolarHBondContact O-N 2.83Å; A429-E432 WeakPolarHBondContact O-CB 3.32Å; A429-E432 PolarHBondContact O-N 2.92Å; E432-D436 WeakPolarHBondContact O-CB 3.45Å; E432-D436 PolarHBondContact O-N 3.3Å; E432-K439 HydrophobicContact CG-CD 4.47Å; E432-K439 IonicContact OE1-NZ 2.65Å; E432-K439 PolarHBondContact OE1-NZ 3.23Å
433V93.5Very high92.8Very high0 Ų046.9 Ų46.90%024%0.235CC..Hα-helixtrans-69.4-44.3-178.5174.70000112.5Y381 A429 K431 K439 R440 F443 P449 L450Y381-V433 HydrophobicContact CD2-CB 3.81Å; Y381-V433 HydrophobicContact CD2-CG1 3.57Å; Y381-V433 HydrophobicContact CD2-CG2 4.05Å; Y381-V433 HydrophobicContact CE1-CG2 4.38Å; Y381-V433 HydrophobicContact CE2-CB 3.95Å; Y381-V433 HydrophobicContact CE2-CG1 3.8Å; Y381-V433 HydrophobicContact CE2-CG2 3.65Å; Y381-V433 HydrophobicContact CG-CB 4.26Å; Y381-V433 HydrophobicContact CG-CG1 4.39Å; A429-V433 WeakPolarHBondContact O-CG2 3.32Å; A429-V433 PolarHBondContact O-N 3.33Å; K431-V433 PolarHBondContact O-N 3.45Å; V433-K439 HydrophobicContact CG1-CB 4.36Å; V433-R440 WeakPolarHBondContact O-CA 3.49Å; V433-R440 WeakPolarHBondContact O-CB 3.49Å; V433-R440 PolarHBondContact O-N 3.18Å; V433-R440 VanDerWaalsContact O-N 3.1Å; V433-F443 HydrophobicContact CG1-CB 3.75Å; V433-F443 HydrophobicContact CG1-CG 4.05Å; V433-P449 HydrophobicContact CB-CG 4.22Å; V433-P449 HydrophobicContact CG1-CG 3.64Å; V433-P449 HydrophobicContact CG2-CG 3.61Å; V433-L450 HydrophobicContact CG2-CD1 3.5Å; V433-L450 HydrophobicContact CG2-CD2 4.35Å; V433-L450 HydrophobicContact CG2-CG 3.58Å
434L94.7Very high92.6Very high0 Ų047.7 Ų47.70%024%0.24CC..Hα-helixtrans-83.7-13.1-171.7-63.2-175.8000114.2Y382 L385 I396 A430 R440 F443Y382-L434 HydrophobicContact CD1-CD1 3.66Å; Y382-L434 HydrophobicContact CD1-CD2 4.16Å; Y382-L434 HydrophobicContact CD2-CD2 4.2Å; Y382-L434 HydrophobicContact CE1-CD1 3.86Å; Y382-L434 HydrophobicContact CE1-CD2 3.68Å; Y382-L434 HydrophobicContact CE1-CG 4.36Å; Y382-L434 HydrophobicContact CE2-CD2 3.74Å; Y382-L434 HydrophobicContact CG-CD1 4.07Å; Y382-L434 HydrophobicContact CG-CD2 4.39Å; Y382-L434 VanDerWaalsContact CZ-CD2 3.45Å; L385-L434 HydrophobicContact CD1-CD1 4.2Å; I396-L434 HydrophobicContact CD1-CB 3.91Å; I396-L434 HydrophobicContact CG1-CB 4.41Å; I396-L434 HydrophobicContact CG2-CB 3.87Å; A430-L434 VanDerWaalsContact O-CB 3.28Å; A430-L434 WeakPolarHBondContact O-CB 3.46Å; A430-L434 VanDerWaalsContact O-CG 3.28Å; A430-L434 WeakPolarHBondContact O-CG 3.22Å; A430-L434 PolarHBondContact O-N 2.86Å; L434-R440 HydrophobicContact CD2-CG 4.33Å; L434-F443 HydrophobicContact CD2-CD1 4.16Å; L434-F443 HydrophobicContact CD2-CE1 4.5Å
435T94.6Very high92.3Very high20 Ų2053.3 Ų53.312%0.12327%0.27CS..Hα-helixtrans-101.2-11.3177.863.50000114K393 I396 L397 K431K393-T435 WeakPolarHBondContact CE-O 3.34Å; K393-T435 HydrophobicContact CG-CG2 4.3Å; K393-T435 PolarHBondContact NZ-O 3.32Å; I396-T435 HydrophobicContact CB-CG2 4.39Å; I396-T435 HydrophobicContact CG2-CG2 3.58Å; L397-T435 HydrophobicContact CD2-CG2 3.86Å; L397-T435 HydrophobicContact CG-CG2 3.99Å; K431-T435 HydrophobicContact CG-CG2 4.26Å; K431-T435 WeakPolarHBondContact O-CB 3.28Å; K431-T435 VanDerWaalsContact O-CG2 3.32Å; K431-T435 WeakPolarHBondContact O-CG2 3.43Å; K431-T435 PolarHBondContact O-N 3.42Å; K431-T435 VanDerWaalsContact O-N 3.09Å; K431-T435 PolarHBondContact O-OG1 2.97Å
436D94.6Very high91.7Very high59 Ų5951.4 Ų51.432%0.31627%0.265SS..SBendtrans-95.3120.4169.5179.2-52.3000108.9E432 E438 K439 R440E432-D436 WeakPolarHBondContact O-CB 3.45Å; E432-D436 PolarHBondContact O-N 3.3Å; D436-E438 VanDerWaalsContact C-N 3.3Å; D436-E438 PolarHBondContact O-N 2.94Å; D436-E438 PolarHBondContact OD1-N 3.1Å; D436-K439 HydrophobicContact CB-CB 3.94Å; D436-K439 HydrophobicContact CB-CD 3.98Å; D436-K439 HydrophobicContact CB-CG 4.06Å; D436-K439 PolarHBondContact O-N 3.38Å; D436-K439 PolarHBondContact OD1-N 3.41Å; D436-R440 WeakPolarHBondContact O-CB 3.38Å; D436-R440 PolarHBondContact O-N 2.86Å
437D92.4Very high91.3Very high106 Ų10651.4 Ų51.457%0.56727%0.267SS*.Hα-helixtrans-67.1-32.2-170.7-63.1-35.8000112.1T441D437-T441 WeakPolarHBondContact O-CB 3.48Å; D437-T441 PolarHBondContact O-N 2.72Å; D437-T441 PolarHBondContact O-OG1 3.49Å
438E93.5Very high90.8Very high146 Ų14652 Ų5268%0.68227%0.271SS*.Hα-helixtrans-72.9-48.7176.6-66.1-175.1177.700110.8D436 R440 T441 Q442D436-E438 VanDerWaalsContact C-N 3.3Å; D436-E438 PolarHBondContact O-N 2.94Å; D436-E438 PolarHBondContact OD1-N 3.1Å; E438-R440 VanDerWaalsContact C-N 3.31Å; E438-R440 PolarHBondContact O-N 2.75Å; E438-T441 PolarHBondContact O-N 3.04Å; E438-Q442 WeakPolarHBondContact O-CG 3.48Å; E438-Q442 PolarHBondContact O-N 3Å
439K93.5Very high90.4Very high51 Ų5151.5 Ų51.522%0.22227%0.266CS..Hα-helixtrans-61.8-40.3177.3-69.1-176.9179.7169.10111.6E432 V433 D436 Q442 F443 P449E432-K439 HydrophobicContact CG-CD 4.47Å; E432-K439 IonicContact OE1-NZ 2.65Å; E432-K439 PolarHBondContact OE1-NZ 3.23Å; V433-K439 HydrophobicContact CG1-CB 4.36Å; D436-K439 HydrophobicContact CB-CB 3.94Å; D436-K439 HydrophobicContact CB-CD 3.98Å; D436-K439 HydrophobicContact CB-CG 4.06Å; D436-K439 PolarHBondContact O-N 3.38Å; D436-K439 PolarHBondContact OD1-N 3.41Å; K439-Q442 PolarHBondContact O-N 3.28Å; K439-F443 WeakPolarHBondContact O-CB 3.17Å; K439-F443 PolarHBondContact O-N 2.95Å; K439-P449 HydrophobicContact CB-CB 3.92Å; K439-P449 HydrophobicContact CB-CG 3.82Å; K439-P449 HydrophobicContact CD-CB 4.4Å; K439-P449 HydrophobicContact CG-CB 3.85Å; K439-P449 HydrophobicContact CG-CG 4.23Å
440R93Very high90Very high37 Ų3753 Ų5314%0.1427%0.273CS..Hα-helixtrans-62.2-44.6175.6-176.6179178.8156.17.2111Y382 K389 A391 I396 V433 L434 D436 E438 F443 E444Y382-R440 VanDerWaalsContact OH-CZ 3.29Å; Y382-R440 PolarHBondContact OH-NE 2.82Å; Y382-R440 PolarHBondContact OH-NH2 3.4Å; K389-R440 PolarHBondContact O-NH2 2.67Å; A391-R440 PolarHBondContact O-NH1 2.99Å; A391-R440 VanDerWaalsContact O-NH1 3.1Å; A391-R440 PolarHBondContact O-NH2 2.87Å; I396-R440 VanDerWaalsContact CD1-NH1 3.28Å; V433-R440 WeakPolarHBondContact O-CA 3.49Å; V433-R440 WeakPolarHBondContact O-CB 3.49Å; V433-R440 PolarHBondContact O-N 3.18Å; V433-R440 VanDerWaalsContact O-N 3.1Å; L434-R440 HydrophobicContact CD2-CG 4.33Å; D436-R440 WeakPolarHBondContact O-CB 3.38Å; D436-R440 PolarHBondContact O-N 2.86Å; E438-R440 VanDerWaalsContact C-N 3.31Å; E438-R440 PolarHBondContact O-N 2.75Å; R440-F443 WeakPolarHBondContact O-CB 3.35Å; R440-F443 PolarHBondContact O-N 2.78Å; R440-E444 IonicContact CZ-OE1 3.98Å; R440-E444 IonicContact NE-OE1 3Å; R440-E444 PolarHBondContact NE-OE1 3.21Å; R440-E444 VanDerWaalsContact NE-OE1 3.09Å; R440-E444 WeakPolarHBondContact O-CB 3.46Å; R440-E444 WeakPolarHBondContact O-CG 3.3Å; R440-E444 PolarHBondContact O-N 3.23Å
441T90.8Very high89.2Confident72 Ų7254.4 Ų54.444%0.44228%0.281SS..Hα-helixtrans-64.3-43.2177.6-58.40000111.6D437 E438 F443 E444 N445D437-T441 WeakPolarHBondContact O-CB 3.48Å; D437-T441 PolarHBondContact O-N 2.72Å; D437-T441 PolarHBondContact O-OG1 3.49Å; E438-T441 PolarHBondContact O-N 3.04Å; T441-F443 VanDerWaalsContact C-N 3.33Å; T441-F443 PolarHBondContact O-N 2.88Å; T441-E444 PolarHBondContact O-N 3.07Å; T441-N445 WeakPolarHBondContact O-CB 3.32Å; T441-N445 VanDerWaalsContact O-CG 3.24Å; T441-N445 PolarHBondContact O-N 3.19Å; T441-N445 PolarHBondContact O-ND2 2.94Å
442Q88.5Confident88Confident60 Ų6055.9 Ų55.928%0.2830%0.297SS..Hα-helixtrans-57.6-47.9173.4-72.3174.79.100110.8E438 K439 E444 N445 G446 I447E438-Q442 WeakPolarHBondContact O-CG 3.48Å; E438-Q442 PolarHBondContact O-N 3Å; K439-Q442 PolarHBondContact O-N 3.28Å; Q442-E444 PolarHBondContact O-N 3.26Å; Q442-N445 CarbonylContact O-C 3.56Å; Q442-N445 PolarHBondContact O-N 3.15Å; Q442-N445 VanDerWaalsContact O-N 3.13Å; Q442-G446 PolarHBondContact O-N 3.5Å; Q442-I447 CarbonylContact C-O 3.56Å; Q442-I447 HydrophobicContact CB-CB 4.22Å; Q442-I447 HydrophobicContact CB-CG2 4.46Å; Q442-I447 WeakPolarHBondContact O-CA 3.25Å; Q442-I447 WeakPolarHBondContact O-CB 3.34Å; Q442-I447 PolarHBondContact O-N 3.01Å
443F89Confident86.6Confident15 Ų1558.9 Ų58.97%0.06631%0.311CS..Hα-helixtrans-59.4-45.1177.2-177.9-110.8000112.7R378 R379 Y381 Y382 V433 L434 K439 R440 T441 N445 G446 I447R378-F443 PolarHBondContact NH2-O 3.16Å; R379-F443 VanDerWaalsContact O-CE2 3.22Å; R379-F443 WeakPolarHBondContact O-CE2 3.21Å; R379-F443 WeakPolarHBondContact O-CZ 3.42Å; Y381-F443 HydrophobicContact CD2-CD1 4.1Å; Y381-F443 AromaticContact CD2-CD2 3.53Å; Y381-F443 HydrophobicContact CD2-CD2 3.53Å; Y381-F443 HydrophobicContact CD2-CE1 4Å; Y381-F443 AromaticContact CD2-CE2 3.43Å; Y381-F443 HydrophobicContact CD2-CE2 3.43Å; Y381-F443 VanDerWaalsContact CD2-CE2 3.43Å; Y381-F443 AromaticContact CD2-CG 3.88Å; Y381-F443 HydrophobicContact CD2-CG 3.88Å; Y381-F443 AromaticContact CD2-CZ 3.69Å; Y381-F443 HydrophobicContact CD2-CZ 3.69Å; Y381-F443 AromaticContact CE2-CD2 3.7Å; Y381-F443 HydrophobicContact CE2-CD2 3.7Å; Y381-F443 AromaticContact CE2-CE2 3.77Å; Y381-F443 HydrophobicContact CE2-CE2 3.77Å; Y381-F443 HydrophobicContact CE2-CG 4.35Å; Y381-F443 HydrophobicContact CE2-CZ 4.46Å; Y381-F443 HydrophobicContact CG-CE2 4.43Å; Y381-F443 HydrophobicContact CG-CZ 4.34Å; Y382-F443 HydrophobicContact CD2-CD1 4.42Å; Y382-F443 AromaticContact CD2-CE1 3.76Å; Y382-F443 HydrophobicContact CD2-CE1 3.76Å; Y382-F443 AromaticContact CE2-CD1 3.99Å; Y382-F443 HydrophobicContact CE2-CD1 3.99Å; Y382-F443 AromaticContact CE2-CE1 3.78Å; Y382-F443 HydrophobicContact CE2-CE1 3.78Å; V433-F443 HydrophobicContact CG1-CB 3.75Å; V433-F443 HydrophobicContact CG1-CG 4.05Å; L434-F443 HydrophobicContact CD2-CD1 4.16Å; L434-F443 HydrophobicContact CD2-CE1 4.5Å; K439-F443 WeakPolarHBondContact O-CB 3.17Å; K439-F443 PolarHBondContact O-N 2.95Å; R440-F443 WeakPolarHBondContact O-CB 3.35Å; R440-F443 PolarHBondContact O-N 2.78Å; T441-F443 VanDerWaalsContact C-N 3.33Å; T441-F443 PolarHBondContact O-N 2.88Å; F443-N445 VanDerWaalsContact C-N 3.28Å; F443-N445 PolarHBondContact O-N 3.25Å; F443-G446 PolarHBondContact O-N 2.87Å; F443-G446 VanDerWaalsContact O-N 3.15Å; F443-I447 WeakPolarHBondContact CA-O 3.44Å; F443-I447 PolarHBondContact N-O 3.15Å; F443-I447 VanDerWaalsContact N-O 3.11Å
444E86.3Confident85.2Confident105 Ų10561.2 Ų61.249%0.49132%0.322SS..Hα-helixtrans-64.4-32.6176.1-72.9173.9-176.700112.6Y382 R440 T441 Q442 G446Y382-E444 PolarHBondContact OH-OE1 3.23Å; R440-E444 IonicContact CZ-OE1 3.98Å; R440-E444 IonicContact NE-OE1 3Å; R440-E444 PolarHBondContact NE-OE1 3.21Å; R440-E444 VanDerWaalsContact NE-OE1 3.09Å; R440-E444 WeakPolarHBondContact O-CB 3.46Å; R440-E444 WeakPolarHBondContact O-CG 3.3Å; R440-E444 PolarHBondContact O-N 3.23Å; T441-E444 PolarHBondContact O-N 3.07Å; Q442-E444 PolarHBondContact O-N 3.26Å; E444-G446 VanDerWaalsContact C-N 3.25Å; E444-G446 PolarHBondContact O-N 2.91Å
445N86.2Confident83.5Confident123 Ų12364.9 Ų64.966%0.65834%0.339SS*.THydrogen-bonded Turntrans-802.6176-71.1-25.9000114.5T441 Q442 F443T441-N445 WeakPolarHBondContact O-CB 3.32Å; T441-N445 VanDerWaalsContact O-CG 3.24Å; T441-N445 PolarHBondContact O-N 3.19Å; T441-N445 PolarHBondContact O-ND2 2.94Å; Q442-N445 CarbonylContact O-C 3.56Å; Q442-N445 PolarHBondContact O-N 3.15Å; Q442-N445 VanDerWaalsContact O-N 3.13Å; F443-N445 VanDerWaalsContact C-N 3.28Å; F443-N445 PolarHBondContact O-N 3.25Å
446G78.8Confident81.7Confident35 Ų3568.1 Ų68.136%0.36137%0.368SS..THydrogen-bonded Turntrans99.2-2.7177.500000115.6R378 Q442 F443 E444R378-G446 VanDerWaalsContact NH2-CA 3.31Å; R378-G446 PolarHBondContact NH2-O 2.91Å; Q442-G446 PolarHBondContact O-N 3.5Å; F443-G446 PolarHBondContact O-N 2.87Å; F443-G446 VanDerWaalsContact O-N 3.15Å; E444-G446 VanDerWaalsContact C-N 3.25Å; E444-G446 PolarHBondContact O-N 2.91Å
447I81.7Confident79.6Confident78 Ų7873.5 Ų73.540%0.439%0.391SS..  trans-99.3119-177.8-56.4171.4000108.2Q442 F443 P449 Q454Q442-I447 CarbonylContact C-O 3.56Å; Q442-I447 HydrophobicContact CB-CB 4.22Å; Q442-I447 HydrophobicContact CB-CG2 4.46Å; Q442-I447 WeakPolarHBondContact O-CA 3.25Å; Q442-I447 WeakPolarHBondContact O-CB 3.34Å; Q442-I447 PolarHBondContact O-N 3.01Å; F443-I447 WeakPolarHBondContact CA-O 3.44Å; F443-I447 PolarHBondContact N-O 3.15Å; F443-I447 VanDerWaalsContact N-O 3.11Å; I447-P449 WeakPolarHBondContact O-CD 3.39Å; I447-Q454 VanDerWaalsContact CA-OE1 3.24Å; I447-Q454 HydrophobicContact CG2-CB 4.36Å
448D84.5Confident77.2Confident18 Ų1872.7 Ų72.710%0.09639%0.387CS..  trans-77.5109.7171-170.9-13.7000109.3Y381 L450 D451Y381-D448 WeakPolarHBondContact CE2-OD1 3.31Å; Y381-D448 PolarHBondContact OH-OD1 2.88Å; Y381-D448 PolarHBondContact OH-OD2 3.41Å; D448-L450 PolarHBondContact O-N 2.87Å; D448-L450 VanDerWaalsContact O-N 3.1Å; D448-L450 PolarHBondContact OD1-N 3.48Å; D448-D451 HydrophobicContact CB-CB 3.84Å; D448-D451 PolarHBondContact O-N 3.49Å; D448-D451 VanDerWaalsContact O-N 3.08Å
449P85.1Confident74.7Confident6 Ų671.2 Ų71.24%0.03939%0.39CS..THydrogen-bonded Turntrans-65.5-13.9-177.428.8-37.5000113.1V433 K439 I447 Q455V433-P449 HydrophobicContact CB-CG 4.22Å; V433-P449 HydrophobicContact CG1-CG 3.64Å; V433-P449 HydrophobicContact CG2-CG 3.61Å; K439-P449 HydrophobicContact CB-CB 3.92Å; K439-P449 HydrophobicContact CB-CG 3.82Å; K439-P449 HydrophobicContact CD-CB 4.4Å; K439-P449 HydrophobicContact CG-CB 3.85Å; K439-P449 HydrophobicContact CG-CG 4.23Å; I447-P449 WeakPolarHBondContact O-CD 3.39Å; P449-Q455 PolarHBondContact O-NE2 3.14Å
450L85.5Confident72.2Confident42 Ų4278 Ų7822%0.2242%0.42CS..THydrogen-bonded Turntrans-103.20.9177.6-57.9-177.4000113.1A429 V433 D448 P452A429-L450 HydrophobicContact CB-CD1 3.67Å; V433-L450 HydrophobicContact CG2-CD1 3.5Å; V433-L450 HydrophobicContact CG2-CD2 4.35Å; V433-L450 HydrophobicContact CG2-CG 3.58Å; D448-L450 PolarHBondContact O-N 2.87Å; D448-L450 VanDerWaalsContact O-N 3.1Å; D448-L450 PolarHBondContact OD1-N 3.48Å; L450-P452 WeakPolarHBondContact O-CD 3.41Å
451D77.4Confident69.5Low30 Ų3078.9 Ų78.916%0.1644%0.44CS..  trans-80.7115175179.20.4000110.5K374 D448 E453 Q454 Q455K374-D451 WeakPolarHBondContact CE-OD2 2.97Å; K374-D451 IonicContact NZ-OD1 3.71Å; K374-D451 IonicContact NZ-OD2 2.88Å; K374-D451 PolarHBondContact NZ-OD2 2.89Å; D448-D451 HydrophobicContact CB-CB 3.84Å; D448-D451 PolarHBondContact O-N 3.49Å; D448-D451 VanDerWaalsContact O-N 3.08Å; D451-E453 PolarHBondContact O-N 3.09Å; D451-E453 PolarHBondContact OD1-N 3.42Å; D451-Q454 HydrophobicContact CB-CB 4.3Å; D451-Q454 HydrophobicContact CB-CG 4.35Å; D451-Q454 PolarHBondContact O-N 2.99Å; D451-Q454 VanDerWaalsContact O-N 3.13Å; D451-Q455 PolarHBondContact O-N 3.33Å; D451-Q455 VanDerWaalsContact O-N 3.16Å
452P69.8Low66.7Low100 Ų10078.5 Ų78.565%0.64945%0.45SS*.Hα-helixtrans-57.2-32.3-178.7-2333.5000114L450 A456L450-P452 WeakPolarHBondContact O-CD 3.41Å; P452-A456 PolarHBondContact O-N 3.11Å
453E66.3Low64Low134 Ų13484.5 Ų84.563%0.62648%0.478SS*.Hα-helixtrans-73.1-32.3-179-67.2-178163.400112.5K374 D451K374-E453 IonicContact NZ-OE2 3.98Å; K374-E453 PolarHBondContact NZ-OE2 3.29Å; D451-E453 PolarHBondContact O-N 3.09Å; D451-E453 PolarHBondContact OD1-N 3.42Å
454Q63.3Low61.4Low49 Ų4989.5 Ų89.523%0.22951%0.512CS..Hα-helixtrans-81.2-29.7179.1-69.4-173.90.400111.8I447 D451 A456 Q457I447-Q454 VanDerWaalsContact CA-OE1 3.24Å; I447-Q454 HydrophobicContact CG2-CB 4.36Å; D451-Q454 HydrophobicContact CB-CB 4.3Å; D451-Q454 HydrophobicContact CB-CG 4.35Å; D451-Q454 PolarHBondContact O-N 2.99Å; D451-Q454 VanDerWaalsContact O-N 3.13Å; Q454-A456 VanDerWaalsContact C-N 3.29Å; Q454-A456 PolarHBondContact O-N 3.45Å; Q454-Q457 PolarHBondContact O-N 3.14Å
455Q59.3Low59Low76 Ų7692.3 Ų92.336%0.35552%0.523SS..Hα-helixtrans-62.4-35.9170.1-70.2-177.2-5.500112.1P449 D451 Q457 N458P449-Q455 PolarHBondContact O-NE2 3.14Å; D451-Q455 PolarHBondContact O-N 3.33Å; D451-Q455 VanDerWaalsContact O-N 3.16Å; Q455-Q457 PolarHBondContact O-N 3.04Å; Q455-N458 PolarHBondContact O-N 3.32Å
456A55.4Low56.2Low88 Ų8894.4 Ų94.473%0.72753%0.534SS*.THydrogen-bonded Turntrans-66.1-20.1178.100000114.3P452 Q454P452-A456 PolarHBondContact O-N 3.11Å; Q454-A456 VanDerWaalsContact C-N 3.29Å; Q454-A456 PolarHBondContact O-N 3.45Å
457Q51.1Low53.8Low172 Ų17295.7 Ų95.780%0.80455%0.548SS*.THydrogen-bonded Turntrans-87.7-6.7174.6-70.3-173.5-6.900113.3Q454 Q455Q454-Q457 PolarHBondContact O-N 3.14Å; Q455-Q457 PolarHBondContact O-N 3.04Å
458N41.4Very low51.6Low89 Ų8997.7 Ų97.748%0.47655%0.554SS.*SBendtrans-100.4120.7176.7-133.47.1000109.1Q455 F460Q455-N458 PolarHBondContact O-N 3.32Å; N458-F460 PolarHBondContact O-N 3.21Å
459P42.2Very low49.1Very low115 Ų115101 Ų10175%0.74758%0.576SS**SBendtrans-62.9-2.8-175-22.632.9000115.9
460F41.5Very low47Very low195 Ų195105.9 Ų105.986%0.85560%0.597SS**SBendtrans-136.288.2-178.6-70.6-86.7000110.1N458N458-F460 PolarHBondContact O-N 3.21Å
461G35.7Very low44.8Very low54 Ų54108.1 Ų108.156%0.55762%0.616SS**  trans-171.8105.9174.400000112.3
462G31.1Very low42.8Very low64 Ų64114.2 Ų114.266%0.6664%0.643SS**  trans-92.4153.2-169.300000116.2
463H33.2Very low41.3Very low187 Ų187112.8 Ų112.887%0.86663%0.629SS**  trans45.4130158.5-65.6-65.2000122.1
464P33.4Very low40.1Very low119 Ų119111.8 Ų111.877%0.77362%0.624SS**  trans-88.1154.3-171.436.7-34000114.3N466P464-N466 PolarHBondContact O-N 2.9Å
465F35.8Very low39.2Very low164 Ų164110.3 Ų110.372%0.71962%0.618SS**  trans-43.1119.8170.8-110.5-111.5000113.5F468F465-F468 AromaticContact CD1-CD2 3.8Å; F465-F468 HydrophobicContact CD1-CD2 3.8Å; F465-F468 HydrophobicContact CD1-CE2 4.14Å; F465-F468 HydrophobicContact CD2-CE2 4.38Å; F465-F468 AromaticContact CE1-CD2 3.16Å; F465-F468 HydrophobicContact CE1-CD2 3.16Å; F465-F468 AromaticContact CE1-CE2 3.47Å; F465-F468 HydrophobicContact CE1-CE2 3.47Å; F465-F468 VanDerWaalsContact CE1-CE2 3.47Å; F465-F468 HydrophobicContact CE1-CG 4.23Å; F465-F468 HydrophobicContact CE2-CD2 4.31Å; F465-F468 AromaticContact CE2-CE2 3.73Å; F465-F468 HydrophobicContact CE2-CE2 3.73Å; F465-F468 AromaticContact CZ-CD2 3.46Å; F465-F468 HydrophobicContact CZ-CD2 3.46Å; F465-F468 VanDerWaalsContact CZ-CD2 3.46Å; F465-F468 AromaticContact CZ-CE2 3.22Å; F465-F468 HydrophobicContact CZ-CE2 3.22Å; F465-F468 HydrophobicContact CZ-CZ 4.23Å
466N28.1Very low38.5Very low167 Ų167113.2 Ų113.289%0.89363%0.63SS**  trans-127.1110.1156.4-152.733.1000107.6P464P464-N466 PolarHBondContact O-N 2.9Å
467G28.8Very low37.6Very low63 Ų63117 Ų11765%0.64963%0.633SS**  trans52.297167.300000117.4P469G467-P469 VanDerWaalsContact O-CD 3.23Å; G467-P469 WeakPolarHBondContact O-CD 3.4Å
468F35.2Very low37.1Very low120 Ų120113 Ų11353%0.52664%0.637SS.*  trans-77.3114.4161.8-96.1-98.2000109.7F465 M473F465-F468 AromaticContact CD1-CD2 3.8Å; F465-F468 HydrophobicContact CD1-CD2 3.8Å; F465-F468 HydrophobicContact CD1-CE2 4.14Å; F465-F468 HydrophobicContact CD2-CE2 4.38Å; F465-F468 AromaticContact CE1-CD2 3.16Å; F465-F468 HydrophobicContact CE1-CD2 3.16Å; F465-F468 AromaticContact CE1-CE2 3.47Å; F465-F468 HydrophobicContact CE1-CE2 3.47Å; F465-F468 VanDerWaalsContact CE1-CE2 3.47Å; F465-F468 HydrophobicContact CE1-CG 4.23Å; F465-F468 HydrophobicContact CE2-CD2 4.31Å; F465-F468 AromaticContact CE2-CE2 3.73Å; F465-F468 HydrophobicContact CE2-CE2 3.73Å; F465-F468 AromaticContact CZ-CD2 3.46Å; F465-F468 HydrophobicContact CZ-CD2 3.46Å; F465-F468 VanDerWaalsContact CZ-CD2 3.46Å; F465-F468 AromaticContact CZ-CE2 3.22Å; F465-F468 HydrophobicContact CZ-CE2 3.22Å; F465-F468 HydrophobicContact CZ-CZ 4.23Å; F468-M473 HydrophobicContact CD1-CE 4.33Å; F468-M473 HydrophobicContact CE1-CE 3.72Å
469P31.6Very low36.7Very low87 Ų87110.3 Ų110.357%0.56563%0.628SS**  trans-76.1127.516317.2-1.8000107.8G467 S471G467-P469 VanDerWaalsContact O-CD 3.23Å; G467-P469 WeakPolarHBondContact O-CD 3.4Å; P469-S471 PolarHBondContact O-N 3.4Å
470F40.3Very low36Very low108 Ų108114.2 Ų114.247%0.47464%0.635SS.*G310 helixtrans-58.6-5.6-178.6-80.4-89.1000115E421 F424 V425 H472E421-F470 HydrophobicContact CB-CZ 4.25Å; E421-F470 HydrophobicContact CG-CZ 4.19Å; F424-F470 HydrophobicContact CD1-CE1 4.39Å; V425-F470 HydrophobicContact CG2-CZ 4.3Å; F470-H472 VanDerWaalsContact C-N 3.3Å; F470-H472 PolarHBondContact O-N 3.21Å
471S39.7Very low35.5Very low89 Ų89113.4 Ų113.462%0.62263%0.632SS**G310 helixtrans-71.2-11.7-171.4-45.60000116P469P469-S471 PolarHBondContact O-N 3.4Å
472H36.3Very low35.1Very low158 Ų158118.4 Ų118.473%0.73164%0.641SS**G310 helixtrans-119.413.8-175-72.182.4000114.6F470F470-H472 VanDerWaalsContact C-N 3.3Å; F470-H472 PolarHBondContact O-N 3.21Å
473M36.7Very low35.1Very low71 Ų71123.8 Ų123.835%0.3565%0.646SS.*  trans-111.552.2178.3-74.2-96.5173.500110.8F424 F468 P475F424-M473 HydrophobicContact CE1-CB 4.47Å; F468-M473 HydrophobicContact CD1-CE 4.33Å; F468-M473 HydrophobicContact CE1-CE 3.72Å; M473-P475 WeakPolarHBondContact O-CD 3.3Å
474H41.6Very low35.1Very low113 Ų113122.9 Ų122.952%0.52364%0.642SS.*  trans-77.8120.1172.3-90.3-70.3000110.1F476 E477H474-F476 PolarHBondContact O-N 2.96Å; H474-E477 PolarHBondContact O-N 2.9Å
475P44.4Very low35.4Very low17 Ų17126.6 Ų126.611%0.1165%0.646CS.*THydrogen-bonded Turntrans-68.42.7179.825.3-32000114.4Y400 A404 M473Y400-P475 HydrophobicContact CE1-CB 4.01Å; A404-P475 HydrophobicContact CB-CB 4.03Å; A404-P475 HydrophobicContact CB-CG 4.1Å; M473-P475 WeakPolarHBondContact O-CD 3.3Å
476F44.7Very low35.8Very low138 Ų138126 Ų12661%0.60569%0.686SS**THydrogen-bonded Turntrans-1091.1-173.9-62-75.4000114.5H474 G478 A479H474-F476 PolarHBondContact O-N 2.96Å; F476-G478 PolarHBondContact O-N 3.5Å; F476-A479 PolarHBondContact O-N 2.8Å
477E36.1Very low36.1Very low168 Ų168124 Ų12479%0.78568%0.676SS**THydrogen-bonded Turntrans-66.9103.4169.5-78.3-171.6164.100110H474H474-E477 PolarHBondContact O-N 2.9Å
478G42.3Very low36.5Very low86 Ų86127.2 Ų127.289%0.88768%0.677SS**THydrogen-bonded Turntrans118.6-0.3173.600000116.3F476F476-G478 PolarHBondContact O-N 3.5Å
479A31.6Very low36.6Very low34 Ų34127.6 Ų127.628%0.28169%0.686SS.*  trans-13791.4172.400000110.8F476 F481F476-A479 PolarHBondContact O-N 2.8Å; A479-F481 HydrophobicContact CB-CD2 4.39Å; A479-F481 PolarHBondContact O-N 3.24Å
480H27.3Very low36.9Very low197 Ų197129.9 Ų129.991%0.91269%0.693SS**  trans-56.4109.9160.8-94-81.3000108.4
481F31Very low36.7Very low178 Ų178131.3 Ų131.378%0.78171%0.707SS**  trans-114.4102.5163.1-101.4-88.6000107.1A479A479-F481 HydrophobicContact CB-CD2 4.39Å; A479-F481 PolarHBondContact O-N 3.24Å
482E28.5Very low36.5Very low158 Ų158134.1 Ų134.174%0.73871%0.712SS**  trans-71.4127167.1-94177.3150.700109.2
483F30.9Very low36.5Very low177 Ų177132.4 Ų132.478%0.77671%0.711SS**  trans-81.3113169.3-80.5-91.6000108.9F485F483-F485 HydrophobicContact CB-CE2 4.42Å; F483-F485 PolarHBondContact O-N 3.25Å
484H33.6Very low36.5Very low169 Ų169137.2 Ų137.278%0.78274%0.739SS**  trans-84.5108.4164.2-69.9-62.7000109.1G486H484-G486 PolarHBondContact O-N 3.24Å
485F38.5Very low36.1Very low197 Ų197139.2 Ų139.286%0.86476%0.757SS**  trans-79.3105.3157.3-72.4-83.9000107.1F483F483-F485 HydrophobicContact CB-CE2 4.42Å; F483-F485 PolarHBondContact O-N 3.25Å
486G43.8Very low35.3Very low151 Ų151150.3 Ų150.3100%1.55782%0.815SS**  trans-98.30165.300000109.9H484H484-G486 PolarHBondContact O-N 3.24Å

Retrieved 486 of 486 residues in 190.3 ms (Link to these results)

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