A0A087XJT8_POEFO Loading...

Engulfment and cell motility 1

Involved in cytoskeletal rearrangements required for phagocytosis of apoptotic cells and cell motility. Acts in association with DOCK1 and CRK. Was initially proposed to be required in complex with DOCK1 to activate Rac Rho small GTPases. May enhance the guanine nucleotide exchange factor (GEF) activity of DOCK1.

AlphaFold DB , UniProt , Accession A0A087XJT8, Species POEFO (Poecilia formosa, Amazon molly), Gene ELMO1, Length 726 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
1M36.4Very low71.7Confident234 Ų23478.4 Ų78.4100%1.15346%0.461SS*.  0133.60-74.5173.5-16900106.9
2P43.9Very low73.6Confident118 Ų11871.9 Ų71.977%0.76642%0.423SS*.PPolyproline II helixtrans-55.7143.516425.3-30.4000108.4
3P52.1Low75.2Confident83 Ų8371.3 Ų71.354%0.53941%0.413SS..PPolyproline II helixtrans-54145.7173.323.1-30.9000109.1A5P3-A5 PolarHBondContact O-N 2.96Å
4P61.2Low76.3Confident75 Ų7571.1 Ų71.149%0.48740%0.402SS..PPolyproline II helixtrans-52.2132.5171.6-20.331.1000108.8D6 I7P4-D6 PolarHBondContact O-N 2.64Å; P4-I7 HydrophobicContact CB-CD1 4.3Å; P4-I7 HydrophobicContact CB-CG1 4.25Å; P4-I7 HydrophobicContact CG-CD1 3.89Å; P4-I7 HydrophobicContact CG-CG1 4.36Å; P4-I7 PolarHBondContact O-N 3.29Å
5A64.4Low77.1Confident100 Ų10072.7 Ų72.783%0.82642%0.416SS*.THydrogen-bonded Turntrans-55-23.8-179.400000112.6P3P3-A5 PolarHBondContact O-N 2.96Å
6D78.9Confident77.6Confident61 Ų6174.3 Ų74.333%0.32645%0.453SS..THydrogen-bonded Turntrans-82.3-3.4180-48.2-59.9000114.4P4 Q26 K27P4-D6 PolarHBondContact O-N 2.64Å; D6-Q26 VanDerWaalsContact O-CB 3.28Å; D6-Q26 WeakPolarHBondContact O-CB 3.05Å; D6-Q26 WeakPolarHBondContact O-CG 3.39Å; D6-Q26 PolarHBondContact O-N 2.98Å; D6-K27 HydrophobicContact CB-CD 4.18Å; D6-K27 HydrophobicContact CB-CG 4.2Å; D6-K27 VanDerWaalsContact CG-CE 3.46Å; D6-K27 WeakPolarHBondContact OD2-CE 3.49Å; D6-K27 IonicContact OD2-NZ 2.64Å; D6-K27 PolarHBondContact OD2-NZ 3.01Å
7I87.4Confident78.2Confident47 Ų4772.2 Ų72.224%0.24145%0.446CS..EExtended strand (participates in β ladder)trans-110.3121.1179.6-59.8-179.7000109.9P4 E23 I24P4-I7 HydrophobicContact CB-CD1 4.3Å; P4-I7 HydrophobicContact CB-CG1 4.25Å; P4-I7 HydrophobicContact CG-CD1 3.89Å; P4-I7 HydrophobicContact CG-CG1 4.36Å; P4-I7 PolarHBondContact O-N 3.29Å; I7-E23 HydrophobicContact CG2-CB 3.82Å; I7-I24 WeakPolarHBondContact CA-O 3.28Å
8V88.8Confident78.7Confident11 Ų1178.6 Ų78.67%0.06747%0.467CS..EExtended strand (participates in β ladder)trans-114.8130.2177.1-59.60000111.3V10 I24 Q26 I69V8-V10 HydrophobicContact CG2-CG1 4.29Å; V8-I24 HydrophobicContact CG2-CB 3.74Å; V8-I24 HydrophobicContact CG2-CG2 4.07Å; V8-I24 PolarHBondContact N-O 3.08Å; V8-I24 PolarHBondContact O-N 3.42Å; V8-Q26 HydrophobicContact CG1-CG 4.22Å; V8-Q26 HydrophobicContact CG2-CG 4.22Å; V8-I69 HydrophobicContact CG2-CG2 3.95Å
9K90.8Very high79.3Confident109 Ų10977.9 Ų77.947%0.47447%0.465SS..EExtended strand (participates in β ladder)trans-89.3118.9177.9-58.7-171.7178.7-153.90109.3E23 N71 G72K9-E23 WeakPolarHBondContact CE-OE1 3.31Å; K9-E23 HydrophobicContact CG-CG 4.21Å; K9-E23 IonicContact NZ-OE1 3.18Å; K9-E23 PolarHBondContact NZ-OE1 2.73Å; K9-N71 WeakPolarHBondContact CB-OD1 3.28Å; K9-N71 PolarHBondContact N-OD1 2.89Å; K9-N71 CarbonylContact O-C 3.49Å; K9-N71 WeakPolarHBondContact O-CA 3.35Å; K9-G72 PolarHBondContact O-N 2.78Å
10V92.9Very high79.8Confident5 Ų577.9 Ų77.93%0.0346%0.458CS..EExtended strand (participates in β ladder)trans-128.7159.2-178-61.60000111.4V8 I12 L21 M22 I24 I69 S73 L75V8-V10 HydrophobicContact CG2-CG1 4.29Å; V10-I12 HydrophobicContact CG2-CD1 4.14Å; V10-I12 HydrophobicContact CG2-CG1 3.87Å; V10-L21 WeakPolarHBondContact O-CA 3.03Å; V10-M22 PolarHBondContact N-O 3.21Å; V10-M22 PolarHBondContact O-N 2.79Å; V10-I24 HydrophobicContact CB-CD1 4.44Å; V10-I24 HydrophobicContact CG1-CD1 4.26Å; V10-I24 HydrophobicContact CG2-CD1 3.39Å; V10-I24 HydrophobicContact CG2-CG1 3.8Å; V10-I69 HydrophobicContact CG1-CG2 3.59Å; V10-S73 WeakPolarHBondContact CA-O 3.43Å; V10-S73 WeakPolarHBondContact CB-O 3.43Å; V10-L75 HydrophobicContact CB-CD1 4.29Å; V10-L75 HydrophobicContact CB-CG 4.36Å; V10-L75 HydrophobicContact CG1-CD1 4.26Å; V10-L75 HydrophobicContact CG1-CG 4.49Å; V10-L75 HydrophobicContact CG2-CD1 4.18Å
11A92.4Very high80.3Confident19 Ų1981.6 Ų81.616%0.15748%0.475CS..EExtended strand (participates in β ladder)trans-103.6128.3163.700000108.6K20 L21 S73 I74 L75A11-K20 CarbonylContact C-O 3.5Å; A11-K20 WeakPolarHBondContact CA-O 3.36Å; A11-L21 HydrophobicContact CB-CD2 3.85Å; A11-S73 PolarHBondContact N-O 2.95Å; A11-I74 HydrophobicContact CB-CG1 4.47Å; A11-I74 CarbonylContact O-C 3.5Å; A11-I74 WeakPolarHBondContact O-CA 3.4Å; A11-L75 PolarHBondContact O-N 3.2Å
12I93.9Very high82.9Confident1 Ų171.9 Ų71.91%0.00543%0.428CS..EExtended strand (participates in β ladder)trans-112125.2177.8-49.3-177.4000109V10 P19 K20 M22 I24 V37 W41 L51 L75 L77V10-I12 HydrophobicContact CG2-CD1 4.14Å; V10-I12 HydrophobicContact CG2-CG1 3.87Å; I12-P19 CarbonylContact O-C 3.53Å; I12-P19 VanDerWaalsContact O-CA 3.26Å; I12-P19 WeakPolarHBondContact O-CA 3.46Å; I12-K20 PolarHBondContact N-O 3.18Å; I12-K20 PolarHBondContact O-N 3.23Å; I12-M22 HydrophobicContact CD1-CB 4.5Å; I12-M22 HydrophobicContact CD1-CE 3.74Å; I12-M22 HydrophobicContact CD1-SD 4.43Å; I12-I24 HydrophobicContact CD1-CD1 4.5Å; I12-V37 HydrophobicContact CD1-CG1 4.3Å; I12-V37 HydrophobicContact CD1-CG2 3.46Å; I12-V37 VanDerWaalsContact CD1-CG2 3.46Å; I12-V37 HydrophobicContact CG2-CG1 4.03Å; I12-W41 HydrophobicContact CB-CH2 4.2Å; I12-W41 HydrophobicContact CG2-CH2 3.87Å; I12-W41 HydrophobicContact CG2-CZ3 4.09Å; I12-W41 VanDerWaalsContact O-CH2 3.25Å; I12-W41 WeakPolarHBondContact O-CH2 3.3Å; I12-W41 WeakPolarHBondContact O-CZ2 3.42Å; I12-L51 HydrophobicContact CD1-CD2 4.46Å; I12-L51 HydrophobicContact CG2-CD2 3.93Å; I12-L75 CarbonylContact C-O 3.58Å; I12-L75 WeakPolarHBondContact CA-O 2.9Å; I12-L75 HydrophobicContact CG1-CB 4.26Å; I12-L75 HydrophobicContact CG2-CB 4.48Å; I12-L77 HydrophobicContact CG2-CB 4.27Å
13E94.2Very high85.1Confident64 Ų6471.4 Ų71.430%0.29942%0.415SS..EExtended strand (participates in β ladder)trans-97.5147.3179.2-58.2-171.8155.700111.9P19 I74 L75 L77E13-P19 HydrophobicContact CG-CB 4.28Å; E13-P19 HydrophobicContact CG-CG 4.17Å; E13-I74 HydrophobicContact CG-CG2 3.75Å; E13-L75 PolarHBondContact N-O 3.15Å; E13-L77 PolarHBondContact O-N 3.22Å
14W91.4Very high86.9Confident68 Ų6867.6 Ų67.626%0.25839%0.39SS..  trans-140.5136.4170.6173.9-104.7000109.6G16 A17 W41 L43 Y49 L77W14-G16 PolarHBondContact O-N 3.01Å; W14-A17 HydrophobicContact CB-CB 4.3Å; W14-A17 PolarHBondContact O-N 2.99Å; W14-W41 HydrophobicContact CB-CD2 3.85Å; W14-W41 HydrophobicContact CB-CE3 3.63Å; W14-W41 HydrophobicContact CB-CH2 3.4Å; W14-W41 HydrophobicContact CB-CZ2 3.61Å; W14-W41 HydrophobicContact CB-CZ3 3.42Å; W14-W41 VanDerWaalsContact CB-CZ3 3.42Å; W14-W41 HydrophobicContact CG-CD2 4.22Å; W14-W41 HydrophobicContact CG-CE3 4.05Å; W14-W41 HydrophobicContact CG-CZ3 4.25Å; W14-L43 HydrophobicContact CD2-CD1 4.14Å; W14-L43 HydrophobicContact CE3-CD1 4.29Å; W14-L43 HydrophobicContact CH2-CD1 4.38Å; W14-L43 HydrophobicContact CZ2-CD1 4.2Å; W14-L43 HydrophobicContact CZ2-CD2 4.02Å; W14-L43 HydrophobicContact CZ3-CD1 4.41Å; W14-Y49 HydrophobicContact CH2-CD1 4.45Å; W14-Y49 AromaticContact CH2-CE1 3.59Å; W14-Y49 HydrophobicContact CH2-CE1 3.59Å; W14-Y49 HydrophobicContact CZ3-CD1 4.14Å; W14-Y49 AromaticContact CZ3-CE1 3.73Å; W14-Y49 HydrophobicContact CZ3-CE1 3.73Å; W14-L77 HydrophobicContact CE3-CB 4.01Å; W14-L77 HydrophobicContact CE3-CD2 3.91Å; W14-L77 HydrophobicContact CE3-CG 4.13Å; W14-L77 VanDerWaalsContact CE3-O 3.27Å; W14-L77 HydrophobicContact CZ3-CD2 4.32Å; W14-L77 HydrophobicContact CZ3-CG 4.4Å; W14-L77 WeakPolarHBondContact CZ3-O 3.35Å
15P87.2Confident88.2Confident95 Ų9566.4 Ų66.462%0.61738%0.379SS*.THydrogen-bonded Turntrans-53124.3-178.5-28.536.2000112.9A17P15-A17 VanDerWaalsContact C-N 3.31Å; P15-A17 PolarHBondContact O-N 3.18Å
16G85Confident89.3Confident98 Ų9863 Ų63100%1.0135%0.346SS*.THydrogen-bonded Turntrans77.37.6178.900000115.5W14W14-G16 PolarHBondContact O-N 3.01Å
17A89.4Confident89.7Confident39 Ų3967.1 Ų67.132%0.32236%0.361SS..SBendtrans-121.9157.1174.300000112W14 P15W14-A17 HydrophobicContact CB-CB 4.3Å; W14-A17 PolarHBondContact O-N 2.99Å; P15-A17 VanDerWaalsContact C-N 3.31Å; P15-A17 PolarHBondContact O-N 3.18Å
18F86.3Confident89.8Confident187 Ų18768.7 Ų68.782%0.8237%0.367SS*.PPolyproline II helixtrans-68.6141.5171.5-74-76.2000110.7
19P89.4Confident90Very high67 Ų6771.5 Ų71.544%0.43539%0.385SS..PPolyproline II helixtrans-57.6138.8176-22.932.2000111.7I12 E13I12-P19 CarbonylContact O-C 3.53Å; I12-P19 VanDerWaalsContact O-CA 3.26Å; I12-P19 WeakPolarHBondContact O-CA 3.46Å; E13-P19 HydrophobicContact CG-CB 4.28Å; E13-P19 HydrophobicContact CG-CG 4.17Å
20K89.3Confident90Very high77 Ų7767 Ų6734%0.33537%0.366SS..EExtended strand (participates in β ladder)trans-99.2125176.7-75.4-170.3169.2-1490110.8A11 I12 G40 W41A11-K20 CarbonylContact C-O 3.5Å; A11-K20 WeakPolarHBondContact CA-O 3.36Å; I12-K20 PolarHBondContact N-O 3.18Å; I12-K20 PolarHBondContact O-N 3.23Å; K20-G40 WeakPolarHBondContact CE-O 3.43Å; K20-G40 PolarHBondContact NZ-O 2.95Å; K20-W41 HydrophobicContact CB-CZ2 4.15Å; K20-W41 HydrophobicContact CD-CD2 4.25Å; K20-W41 HydrophobicContact CD-CZ2 4.03Å; K20-W41 HydrophobicContact CG-CZ2 3.77Å
21L91.6Very high90Very high155 Ų15570.6 Ų70.681%0.81239%0.392SS*.EExtended strand (participates in β ladder)trans-80.9122.2170.1-60.3178.2000108.8V10 A11V10-L21 WeakPolarHBondContact O-CA 3.03Å; A11-L21 HydrophobicContact CB-CD2 3.85Å
22M90.3Very high90Very high31 Ų3171.6 Ų71.615%0.15340%0.4CS..EExtended strand (participates in β ladder)trans-135.6143.1-177-158173.277.200110.4V10 I12 I24 I33 E36 V37V10-M22 PolarHBondContact N-O 3.21Å; V10-M22 PolarHBondContact O-N 2.79Å; I12-M22 HydrophobicContact CD1-CB 4.5Å; I12-M22 HydrophobicContact CD1-CE 3.74Å; I12-M22 HydrophobicContact CD1-SD 4.43Å; M22-I24 HydrophobicContact CE-CD1 4.2Å; M22-I24 HydrophobicContact CE-CG1 3.52Å; M22-I33 HydrophobicContact CE-CG2 3.67Å; M22-E36 HydrophobicContact SD-CG 4.43Å; M22-V37 HydrophobicContact CE-CG2 3.5Å; M22-V37 VanDerWaalsContact CE-CG2 3.5Å; M22-V37 HydrophobicContact SD-CG2 3.74Å
23E90.7Very high89.9Confident108 Ų10871.7 Ų71.751%0.50540%0.4SS..EExtended strand (participates in β ladder)trans-94.2103.8170.3-57.2-163.1155.600107.6I7 K9I7-E23 HydrophobicContact CG2-CB 3.82Å; K9-E23 WeakPolarHBondContact CE-OE1 3.31Å; K9-E23 HydrophobicContact CG-CG 4.21Å; K9-E23 IonicContact NZ-OE1 3.18Å; K9-E23 PolarHBondContact NZ-OE1 2.73Å
24I89.6Confident89.8Confident3 Ų369.3 Ų69.32%0.01539%0.39CS..EExtended strand (participates in β ladder)trans-81.3119.2177.2-69.6175.7000108.5I7 V8 V10 I12 M22 Q26 I33 L75I7-I24 WeakPolarHBondContact CA-O 3.28Å; V8-I24 HydrophobicContact CG2-CB 3.74Å; V8-I24 HydrophobicContact CG2-CG2 4.07Å; V8-I24 PolarHBondContact N-O 3.08Å; V8-I24 PolarHBondContact O-N 3.42Å; V10-I24 HydrophobicContact CB-CD1 4.44Å; V10-I24 HydrophobicContact CG1-CD1 4.26Å; V10-I24 HydrophobicContact CG2-CD1 3.39Å; V10-I24 HydrophobicContact CG2-CG1 3.8Å; I12-I24 HydrophobicContact CD1-CD1 4.5Å; M22-I24 HydrophobicContact CE-CD1 4.2Å; M22-I24 HydrophobicContact CE-CG1 3.52Å; I24-Q26 PolarHBondContact O-N 3.39Å; I24-I33 HydrophobicContact CD1-CG2 4.11Å; I24-I33 HydrophobicContact CG1-CG2 3.99Å; I24-I33 HydrophobicContact CG2-CD1 3.54Å; I24-I33 HydrophobicContact CG2-CG1 4.23Å; I24-I33 HydrophobicContact CG2-CG2 4.37Å; I24-L75 HydrophobicContact CD1-CD1 3.97Å
25D89.4Confident89.9Confident49 Ų4970.3 Ų70.326%0.26240%0.395SS..EExtended strand (participates in β ladder)trans-81.3109.9167.3179.51.2000109.5K27 K28D25-K27 PolarHBondContact O-N 3.33Å; D25-K27 VanDerWaalsContact O-N 3.15Å; D25-K27 VanDerWaalsContact OD1-CB 3.31Å; D25-K27 WeakPolarHBondContact OD1-CB 3.4Å; D25-K27 PolarHBondContact OD1-N 2.9Å; D25-K28 HydrophobicContact CB-CD 4.09Å; D25-K28 HydrophobicContact CB-CG 4Å; D25-K28 WeakPolarHBondContact O-CB 3.47Å; D25-K28 PolarHBondContact O-N 2.73Å
26Q86.3Confident90.1Very high28 Ų2869.7 Ų69.713%0.13139%0.385CS..THydrogen-bonded Turntrans-64.6-14.3-179.4-67.3-70.914.100113.3D6 V8 I24 R66D6-Q26 VanDerWaalsContact O-CB 3.28Å; D6-Q26 WeakPolarHBondContact O-CB 3.05Å; D6-Q26 WeakPolarHBondContact O-CG 3.39Å; D6-Q26 PolarHBondContact O-N 2.98Å; V8-Q26 HydrophobicContact CG1-CG 4.22Å; V8-Q26 HydrophobicContact CG2-CG 4.22Å; I24-Q26 PolarHBondContact O-N 3.39Å; Q26-R66 VanDerWaalsContact CA-NH2 3.31Å; Q26-R66 PolarHBondContact NE2-O 3.12Å; Q26-R66 VanDerWaalsContact O-CZ 3.29Å; Q26-R66 PolarHBondContact O-NH2 3.44Å; Q26-R66 VanDerWaalsContact OE1-NH2 3.08Å
27K87.8Confident90.4Very high148 Ų14865.2 Ų65.264%0.64334%0.338SS*.THydrogen-bonded Turntrans-80.5-21.6172-68.7167.6163.5158.30113.2D6 D25D6-K27 HydrophobicContact CB-CD 4.18Å; D6-K27 HydrophobicContact CB-CG 4.2Å; D6-K27 VanDerWaalsContact CG-CE 3.46Å; D6-K27 WeakPolarHBondContact OD2-CE 3.49Å; D6-K27 IonicContact OD2-NZ 2.64Å; D6-K27 PolarHBondContact OD2-NZ 3.01Å; D25-K27 PolarHBondContact O-N 3.33Å; D25-K27 VanDerWaalsContact O-N 3.15Å; D25-K27 VanDerWaalsContact OD1-CB 3.31Å; D25-K27 WeakPolarHBondContact OD1-CB 3.4Å; D25-K27 PolarHBondContact OD1-N 2.9Å
28K90.1Very high90.5Very high81 Ų8163.4 Ų63.435%0.35232%0.323SS..SBendtrans-74.3140.5174.5-69.9-178.9-177.7175.40109.5D25 I33 E36 R66D25-K28 HydrophobicContact CB-CD 4.09Å; D25-K28 HydrophobicContact CB-CG 4Å; D25-K28 WeakPolarHBondContact O-CB 3.47Å; D25-K28 PolarHBondContact O-N 2.73Å; K28-I33 HydrophobicContact CB-CD1 4.33Å; K28-I33 HydrophobicContact CB-CG1 4.14Å; K28-E36 IonicContact NZ-OE2 3.18Å; K28-E36 PolarHBondContact NZ-OE2 3.1Å; K28-R66 PolarHBondContact O-NH1 2.79Å; K28-R66 PolarHBondContact O-NH2 3.2Å
29P91.7Very high90.8Very high70 Ų7060.3 Ų60.346%0.45531%0.31SS..  trans-55.3144.2170.2-24.634.1000111.7S31 A32 I33P29-S31 PolarHBondContact O-N 3.14Å; P29-A32 WeakPolarHBondContact O-CB 3.49Å; P29-A32 PolarHBondContact O-N 2.89Å; P29-I33 PolarHBondContact O-N 3.48Å
30L91.8Very high90.6Very high15 Ų1558.7 Ų58.78%0.07931%0.306CS..Hα-helixtrans-58.5-34.9-179.8-174.264.2000111.8A32 I33 I34 L51 I61 E63L30-A32 VanDerWaalsContact C-N 3.3Å; L30-A32 PolarHBondContact O-N 2.97Å; L30-I33 WeakPolarHBondContact O-CB 3.35Å; L30-I33 PolarHBondContact O-N 2.77Å; L30-I34 HydrophobicContact CG-CD1 3.99Å; L30-I34 HydrophobicContact CG-CG1 4.48Å; L30-I34 VanDerWaalsContact O-CG1 3.31Å; L30-I34 WeakPolarHBondContact O-CG1 3.43Å; L30-I34 PolarHBondContact O-N 3.44Å; L30-L51 HydrophobicContact CD1-CD1 4.21Å; L30-I61 HydrophobicContact CD1-CG2 4.07Å; L30-I61 HydrophobicContact CD2-CG2 3.94Å; L30-I61 WeakPolarHBondContact CD2-O 3.34Å; L30-E63 VanDerWaalsContact CB-OE1 3.24Å; L30-E63 WeakPolarHBondContact CB-OE1 3.47Å; L30-E63 PolarHBondContact N-OE1 2.79Å
31S92.1Very high90.6Very high80 Ų8057 Ų5756%0.55930%0.298SS*.Hα-helixtrans-61.3-36174.356.70000113.3P29 K35P29-S31 PolarHBondContact O-N 3.14Å; S31-K35 WeakPolarHBondContact O-CB 2.99Å; S31-K35 PolarHBondContact O-N 2.95Å
32A92.1Very high90.5Very high40 Ų4055.1 Ų55.133%0.33130%0.297SS..Hα-helixtrans-71.6-37.9176.200000111.2P29 L30 K35 E36P29-A32 WeakPolarHBondContact O-CB 3.49Å; P29-A32 PolarHBondContact O-N 2.89Å; L30-A32 VanDerWaalsContact C-N 3.3Å; L30-A32 PolarHBondContact O-N 2.97Å; A32-K35 PolarHBondContact O-N 2.64Å; A32-E36 PolarHBondContact O-N 2.94Å; A32-E36 VanDerWaalsContact O-N 3.08Å
33I91.9Very high90.5Very high2 Ų255.4 Ų55.41%0.0130%0.299CS..Hα-helixtrans-63.5-49.1174.5-65.4157.5000110.1M22 I24 K28 P29 L30 K35 E36 V37 L51 R66M22-I33 HydrophobicContact CE-CG2 3.67Å; I24-I33 HydrophobicContact CD1-CG2 4.11Å; I24-I33 HydrophobicContact CG1-CG2 3.99Å; I24-I33 HydrophobicContact CG2-CD1 3.54Å; I24-I33 HydrophobicContact CG2-CG1 4.23Å; I24-I33 HydrophobicContact CG2-CG2 4.37Å; K28-I33 HydrophobicContact CB-CD1 4.33Å; K28-I33 HydrophobicContact CB-CG1 4.14Å; P29-I33 PolarHBondContact O-N 3.48Å; L30-I33 WeakPolarHBondContact O-CB 3.35Å; L30-I33 PolarHBondContact O-N 2.77Å; I33-K35 VanDerWaalsContact C-N 3.28Å; I33-K35 PolarHBondContact O-N 3.22Å; I33-E36 WeakPolarHBondContact O-CB 3.46Å; I33-E36 PolarHBondContact O-N 3.33Å; I33-E36 VanDerWaalsContact O-N 3.12Å; I33-V37 WeakPolarHBondContact O-CG2 3.43Å; I33-V37 PolarHBondContact O-N 3.3Å; I33-L51 HydrophobicContact CG2-CD1 4.44Å; I33-R66 VanDerWaalsContact CD1-NH2 3.31Å
34I93.4Very high90.1Very high15 Ų1552.8 Ų52.88%0.07730%0.301CS..Hα-helixtrans-58.3-42.6177.7-68.9163.5000110.7L30 E36 V37 C38 L51 L77L30-I34 HydrophobicContact CG-CD1 3.99Å; L30-I34 HydrophobicContact CG-CG1 4.48Å; L30-I34 VanDerWaalsContact O-CG1 3.31Å; L30-I34 WeakPolarHBondContact O-CG1 3.43Å; L30-I34 PolarHBondContact O-N 3.44Å; I34-E36 PolarHBondContact O-N 3.33Å; I34-V37 PolarHBondContact O-N 3.15Å; I34-C38 WeakPolarHBondContact O-CB 3.21Å; I34-C38 PolarHBondContact O-N 2.77Å; I34-C38 PolarHBondContact O-SG 3.34Å; I34-L51 HydrophobicContact CG1-CD1 4.32Å; I34-L51 HydrophobicContact CG1-CG 4.17Å; I34-L77 HydrophobicContact CG2-CD1 4.42Å
35K92.8Very high90.1Very high88 Ų8856.1 Ų56.138%0.38333%0.325SS..Hα-helixtrans-57-47.1175.1177.1173.1179.61730112.2S31 A32 I33 V37 C38 E39 H46S31-K35 WeakPolarHBondContact O-CB 2.99Å; S31-K35 PolarHBondContact O-N 2.95Å; A32-K35 PolarHBondContact O-N 2.64Å; I33-K35 VanDerWaalsContact C-N 3.28Å; I33-K35 PolarHBondContact O-N 3.22Å; K35-V37 VanDerWaalsContact C-N 3.32Å; K35-V37 PolarHBondContact O-N 2.77Å; K35-C38 PolarHBondContact O-N 3Å; K35-E39 WeakPolarHBondContact CE-OE1 3.47Å; K35-E39 HydrophobicContact CG-CG 4.43Å; K35-E39 WeakPolarHBondContact CG-OE1 3.44Å; K35-E39 WeakPolarHBondContact O-CB 3.24Å; K35-E39 VanDerWaalsContact O-CG 3.3Å; K35-E39 WeakPolarHBondContact O-CG 3.31Å; K35-E39 PolarHBondContact O-N 3.07Å; K35-H46 HydrophobicContact CB-CB 4.17Å
36E91.7Very high90Very high83 Ų8356.9 Ų56.939%0.38833%0.326SS..Hα-helixtrans-60.5-40.9177.4-171.2175.316300111.8M22 K28 A32 I33 I34 G40M22-E36 HydrophobicContact SD-CG 4.43Å; K28-E36 IonicContact NZ-OE2 3.18Å; K28-E36 PolarHBondContact NZ-OE2 3.1Å; A32-E36 PolarHBondContact O-N 2.94Å; A32-E36 VanDerWaalsContact O-N 3.08Å; I33-E36 WeakPolarHBondContact O-CB 3.46Å; I33-E36 PolarHBondContact O-N 3.33Å; I33-E36 VanDerWaalsContact O-N 3.12Å; I34-E36 PolarHBondContact O-N 3.33Å; E36-G40 PolarHBondContact O-N 3.1Å
37V91.4Very high90.1Very high4 Ų462 Ų622%0.02435%0.351CS..Hα-helixtrans-64.7-48.4175.81800000111.5I12 M22 I33 I34 K35 G40 W41 L77I12-V37 HydrophobicContact CD1-CG1 4.3Å; I12-V37 HydrophobicContact CD1-CG2 3.46Å; I12-V37 VanDerWaalsContact CD1-CG2 3.46Å; I12-V37 HydrophobicContact CG2-CG1 4.03Å; M22-V37 HydrophobicContact CE-CG2 3.5Å; M22-V37 VanDerWaalsContact CE-CG2 3.5Å; M22-V37 HydrophobicContact SD-CG2 3.74Å; I33-V37 WeakPolarHBondContact O-CG2 3.43Å; I33-V37 PolarHBondContact O-N 3.3Å; I34-V37 PolarHBondContact O-N 3.15Å; K35-V37 VanDerWaalsContact C-N 3.32Å; K35-V37 PolarHBondContact O-N 2.77Å; V37-G40 WeakPolarHBondContact O-CA 3.3Å; V37-G40 PolarHBondContact O-N 3.3Å; V37-G40 VanDerWaalsContact O-N 3.1Å; V37-W41 HydrophobicContact CG1-CE3 3.89Å; V37-W41 HydrophobicContact CG1-CH2 4.38Å; V37-W41 HydrophobicContact CG1-CZ3 3.52Å; V37-W41 PolarHBondContact O-N 2.9Å; V37-L77 HydrophobicContact CG1-CD1 4.2Å; V37-L77 HydrophobicContact CG1-CD2 4.04Å; V37-L77 HydrophobicContact CG1-CG 4.5Å
38C92Very high90.3Very high1 Ų156.2 Ų56.21%0.00733%0.328CS..Hα-helixtrans-61.1-45.8179.3-720000111.6I34 K35 G40 W41 S42 L43 H46I34-C38 WeakPolarHBondContact O-CB 3.21Å; I34-C38 PolarHBondContact O-N 2.77Å; I34-C38 PolarHBondContact O-SG 3.34Å; K35-C38 PolarHBondContact O-N 3Å; C38-G40 PolarHBondContact O-N 2.87Å; C38-W41 CarbonylContact O-C 3.54Å; C38-W41 PolarHBondContact O-N 3.28Å; C38-W41 VanDerWaalsContact O-N 3.1Å; C38-S42 PolarHBondContact O-N 2.86Å; C38-L43 HydrophobicContact CB-CB 4.11Å; C38-L43 PolarHBondContact O-N 2.94Å; C38-H46 HydrophobicContact CB-CB 4.02Å
39E90.7Very high90.5Very high121 Ų12154.4 Ų54.457%0.56532%0.319SS*.Hα-helixtrans-57.4-37.5174-75.4174.6-177.200111.2K35 W41 S42K35-E39 WeakPolarHBondContact CE-OE1 3.47Å; K35-E39 HydrophobicContact CG-CG 4.43Å; K35-E39 WeakPolarHBondContact CG-OE1 3.44Å; K35-E39 WeakPolarHBondContact O-CB 3.24Å; K35-E39 VanDerWaalsContact O-CG 3.3Å; K35-E39 WeakPolarHBondContact O-CG 3.31Å; K35-E39 PolarHBondContact O-N 3.07Å; E39-W41 VanDerWaalsContact C-N 3.3Å; E39-W41 PolarHBondContact O-N 3.05Å; E39-S42 PolarHBondContact O-N 3.04Å; E39-S42 VanDerWaalsContact O-N 3.15Å
40G86.4Confident90.7Very high33 Ų3351.4 Ų51.434%0.3430%0.3SS..Hα-helixtrans-58.3-36.8175.500000114.4K20 E36 V37 C38K20-G40 WeakPolarHBondContact CE-O 3.43Å; K20-G40 PolarHBondContact NZ-O 2.95Å; E36-G40 PolarHBondContact O-N 3.1Å; V37-G40 WeakPolarHBondContact O-CA 3.3Å; V37-G40 PolarHBondContact O-N 3.3Å; V37-G40 VanDerWaalsContact O-N 3.1Å; C38-G40 PolarHBondContact O-N 2.87Å
41W89.8Confident90.8Very high43 Ų4350.7 Ų50.716%0.16330%0.296CS..THydrogen-bonded Turntrans-102.713.2177.4-72.3-52.6000113.1I12 W14 K20 V37 C38 E39 L43 L77I12-W41 HydrophobicContact CB-CH2 4.2Å; I12-W41 HydrophobicContact CG2-CH2 3.87Å; I12-W41 HydrophobicContact CG2-CZ3 4.09Å; I12-W41 VanDerWaalsContact O-CH2 3.25Å; I12-W41 WeakPolarHBondContact O-CH2 3.3Å; I12-W41 WeakPolarHBondContact O-CZ2 3.42Å; W14-W41 HydrophobicContact CB-CD2 3.85Å; W14-W41 HydrophobicContact CB-CE3 3.63Å; W14-W41 HydrophobicContact CB-CH2 3.4Å; W14-W41 HydrophobicContact CB-CZ2 3.61Å; W14-W41 HydrophobicContact CB-CZ3 3.42Å; W14-W41 VanDerWaalsContact CB-CZ3 3.42Å; W14-W41 HydrophobicContact CG-CD2 4.22Å; W14-W41 HydrophobicContact CG-CE3 4.05Å; W14-W41 HydrophobicContact CG-CZ3 4.25Å; K20-W41 HydrophobicContact CB-CZ2 4.15Å; K20-W41 HydrophobicContact CD-CD2 4.25Å; K20-W41 HydrophobicContact CD-CZ2 4.03Å; K20-W41 HydrophobicContact CG-CZ2 3.77Å; V37-W41 HydrophobicContact CG1-CE3 3.89Å; V37-W41 HydrophobicContact CG1-CH2 4.38Å; V37-W41 HydrophobicContact CG1-CZ3 3.52Å; V37-W41 PolarHBondContact O-N 2.9Å; C38-W41 CarbonylContact O-C 3.54Å; C38-W41 PolarHBondContact O-N 3.28Å; C38-W41 VanDerWaalsContact O-N 3.1Å; E39-W41 VanDerWaalsContact C-N 3.3Å; E39-W41 PolarHBondContact O-N 3.05Å; W41-L43 HydrophobicContact CB-CD1 4.17Å; W41-L43 HydrophobicContact CB-CG 3.97Å; W41-L43 HydrophobicContact CE3-CD1 4.41Å; W41-L43 PolarHBondContact O-N 3.32Å; W41-L77 HydrophobicContact CE3-CD2 3.81Å; W41-L77 HydrophobicContact CZ3-CB 3.89Å; W41-L77 HydrophobicContact CZ3-CD2 3.8Å; W41-L77 HydrophobicContact CZ3-CG 4.49Å
42S89.7Confident90.8Very high115 Ų11548 Ų4880%0.80428%0.275SS*.THydrogen-bonded Turntrans55.733.6-176.7-54.40000113.4C38 E39C38-S42 PolarHBondContact O-N 2.86Å; E39-S42 PolarHBondContact O-N 3.04Å; E39-S42 VanDerWaalsContact O-N 3.15Å
43L88.4Confident90.6Very high37 Ų3748.4 Ų48.419%0.19427%0.271CS..  trans-82.5127.3175.8-59.9174.4000109.4W14 C38 W41 Y49 L77W14-L43 HydrophobicContact CD2-CD1 4.14Å; W14-L43 HydrophobicContact CE3-CD1 4.29Å; W14-L43 HydrophobicContact CH2-CD1 4.38Å; W14-L43 HydrophobicContact CZ2-CD1 4.2Å; W14-L43 HydrophobicContact CZ2-CD2 4.02Å; W14-L43 HydrophobicContact CZ3-CD1 4.41Å; C38-L43 HydrophobicContact CB-CB 4.11Å; C38-L43 PolarHBondContact O-N 2.94Å; W41-L43 HydrophobicContact CB-CD1 4.17Å; W41-L43 HydrophobicContact CB-CG 3.97Å; W41-L43 HydrophobicContact CE3-CD1 4.41Å; W41-L43 PolarHBondContact O-N 3.32Å; L43-Y49 HydrophobicContact CB-CE2 4.21Å; L43-Y49 HydrophobicContact CD1-CE1 4.32Å; L43-L77 HydrophobicContact CD1-CD2 3.49Å; L43-L77 VanDerWaalsContact CD1-CD2 3.49Å
44G84.1Confident90.2Very high53 Ų5349.5 Ų49.555%0.54628%0.281SS..SBendtrans-76.1163.2172.900000112.2Y49G44-Y49 WeakPolarHBondContact O-CE2 3.45Å
45S87.8Confident89.5Confident72 Ų7251 Ų5150%0.50329%0.289SS..  trans54.961.8173.2-53.50000114.4E47 T48S45-E47 PolarHBondContact O-N 3.03Å; S45-T48 WeakPolarHBondContact O-CB 3.38Å; S45-T48 PolarHBondContact O-N 3.24Å; S45-T48 PolarHBondContact O-OG1 2.91Å
46H88.9Confident88.5Confident65 Ų6550.5 Ų50.530%0.30130%0.301SS..G310 helixtrans-53.8-23.8-17856.562000114.7K35 C38 T48 Y49K35-H46 HydrophobicContact CB-CB 4.17Å; C38-H46 HydrophobicContact CB-CB 4.02Å; H46-T48 PolarHBondContact O-N 2.81Å; H46-Y49 PolarHBondContact O-N 3.25Å
47E88.4Confident87.7Confident137 Ų13748.4 Ų48.464%0.6429%0.294SS*.G310 helixtrans-64.9-15.6174.362.2-105.4172.400114.7S45 Y49S45-E47 PolarHBondContact O-N 3.03Å; E47-Y49 VanDerWaalsContact C-N 3.28Å
48T92.2Very high87.4Confident26 Ų2650.7 Ų50.716%0.1631%0.306CS..G310 helixtrans-86.9-0.4-179.967.70000113.2S45 H46 T79 S80 Q83S45-T48 WeakPolarHBondContact O-CB 3.38Å; S45-T48 PolarHBondContact O-N 3.24Å; S45-T48 PolarHBondContact O-OG1 2.91Å; H46-T48 PolarHBondContact O-N 2.81Å; T48-T79 CarbonylContact O-C 3.59Å; T48-T79 WeakPolarHBondContact O-CA 3.45Å; T48-S80 PolarHBondContact O-N 2.82Å; T48-Q83 PolarHBondContact O-OE1 3.45Å
49Y94Very high87.2Confident42 Ų4252.7 Ų52.717%0.16532%0.315CS..EExtended strand (participates in β ladder)trans-118.1155.4-175.1-64.8-83000112.1W14 L43 G44 H46 E47 L77 T78W14-Y49 HydrophobicContact CH2-CD1 4.45Å; W14-Y49 AromaticContact CH2-CE1 3.59Å; W14-Y49 HydrophobicContact CH2-CE1 3.59Å; W14-Y49 HydrophobicContact CZ3-CD1 4.14Å; W14-Y49 AromaticContact CZ3-CE1 3.73Å; W14-Y49 HydrophobicContact CZ3-CE1 3.73Å; L43-Y49 HydrophobicContact CB-CE2 4.21Å; L43-Y49 HydrophobicContact CD1-CE1 4.32Å; G44-Y49 WeakPolarHBondContact O-CE2 3.45Å; H46-Y49 PolarHBondContact O-N 3.25Å; E47-Y49 VanDerWaalsContact C-N 3.28Å; Y49-L77 HydrophobicContact CD1-CD2 4.29Å; Y49-L77 HydrophobicContact CD1-CG 4.17Å; Y49-L77 HydrophobicContact CG-CG 4.49Å; Y49-T78 CarbonylContact C-O 3.55Å; Y49-T78 VanDerWaalsContact CA-O 3.23Å; Y49-T78 WeakPolarHBondContact CA-O 3.4Å; Y49-T78 WeakPolarHBondContact CD1-O 3.37Å
50A94.7Very high87.3Confident8 Ų847.3 Ų47.37%0.06629%0.289CS..EExtended strand (participates in β ladder)trans-142.1166.3170.900000110.4Y60 T78A50-Y60 HydrophobicContact CB-CD1 3.82Å; A50-Y60 HydrophobicContact CB-CE1 3.91Å; A50-T78 PolarHBondContact N-O 2.79Å; A50-T78 PolarHBondContact O-N 3.29Å
51L93.8Very high87.6Confident0 Ų046.1 Ų46.10%028%0.275CS..EExtended strand (participates in β ladder)trans-99.6138.7173.6-66.1173000109.7I12 L30 I33 I34 I61 L75 R76 L77I12-L51 HydrophobicContact CD1-CD2 4.46Å; I12-L51 HydrophobicContact CG2-CD2 3.93Å; L30-L51 HydrophobicContact CD1-CD1 4.21Å; I33-L51 HydrophobicContact CG2-CD1 4.44Å; I34-L51 HydrophobicContact CG1-CD1 4.32Å; I34-L51 HydrophobicContact CG1-CG 4.17Å; L51-I61 HydrophobicContact CB-CB 4.24Å; L51-I61 HydrophobicContact CB-CD1 3.97Å; L51-I61 PolarHBondContact O-N 3.32Å; L51-L75 HydrophobicContact CD1-CD1 4.21Å; L51-R76 CarbonylContact C-O 3.58Å; L51-R76 WeakPolarHBondContact CA-O 3.31Å; L51-L77 HydrophobicContact CD2-CB 4.29Å; L51-L77 HydrophobicContact CD2-CD1 3.87Å
52Q92.8Very high87.7Confident22 Ų2245.6 Ų45.610%0.10328%0.276CS..EExtended strand (participates in β ladder)trans-117156.5167.7-74178.2-30.300109.9N58 F59 Y60 L75 R76 T78Q52-N58 WeakPolarHBondContact CG-O 3.06Å; Q52-N58 PolarHBondContact NE2-O 3.38Å; Q52-F59 CarbonylContact C-O 3.4Å; Q52-F59 VanDerWaalsContact CA-O 3.23Å; Q52-F59 WeakPolarHBondContact CA-O 3.45Å; Q52-Y60 HydrophobicContact CG-CD1 3.6Å; Q52-Y60 HydrophobicContact CG-CE1 3.78Å; Q52-Y60 HydrophobicContact CG-CG 4.03Å; Q52-L75 CarbonylContact O-C 3.52Å; Q52-L75 VanDerWaalsContact O-CA 3.26Å; Q52-L75 WeakPolarHBondContact O-CA 3.3Å; Q52-R76 PolarHBondContact N-O 3.44Å; Q52-R76 PolarHBondContact O-N 3.02Å; Q52-T78 HydrophobicContact CB-CG2 4.45Å; Q52-T78 VanDerWaalsContact CD-CG2 3.46Å; Q52-T78 HydrophobicContact CG-CG2 3.69Å
53I87.6Confident87.7Confident50 Ų5045 Ų4526%0.25626%0.261SS..EExtended strand (participates in β ladder)trans-73.2126.2166.2-56.7175.4000107.6D55 N58 F59 I61I53-D55 HydrophobicContact CG2-CB 4.04Å; I53-D55 WeakPolarHBondContact CG2-OD2 3.4Å; I53-D55 PolarHBondContact O-N 3.27Å; I53-N58 WeakPolarHBondContact O-CA 3.3Å; I53-F59 PolarHBondContact N-O 3.08Å; I53-I61 HydrophobicContact CG1-CD1 4.16Å; I53-I61 HydrophobicContact CG1-CG1 4.12Å
54A84.3Confident87.5Confident25 Ų2552.5 Ų52.521%0.20729%0.292CS..SBendtrans-82.559.8-178.900000111.2I74 R76A54-I74 HydrophobicContact CB-CB 4.1Å; A54-I74 HydrophobicContact CB-CG2 3.71Å; A54-I74 VanDerWaalsContact CB-O 3.31Å; A54-I74 WeakPolarHBondContact CB-O 3.47Å; A54-I74 PolarHBondContact N-O 2.97Å; A54-R76 HydrophobicContact CB-CB 4.27Å
55D79.2Confident87.5Confident47 Ų4752 Ų5225%0.25128%0.277SS..SBendtrans-121.6-167.3176.469.49.6000111.4I53 T57 N58I53-D55 HydrophobicContact CG2-CB 4.04Å; I53-D55 WeakPolarHBondContact CG2-OD2 3.4Å; I53-D55 PolarHBondContact O-N 3.27Å; D55-T57 PolarHBondContact O-N 3.02Å; D55-T57 WeakPolarHBondContact OD1-CA 3.45Å; D55-T57 WeakPolarHBondContact OD1-CB 3.42Å; D55-T57 PolarHBondContact OD1-N 3.39Å; D55-T57 PolarHBondContact OD1-OG1 3.05Å; D55-T57 PolarHBondContact OD2-OG1 2.83Å; D55-N58 PolarHBondContact O-ND2 3.48Å; D55-N58 VanDerWaalsContact O-ND2 3.12Å; D55-N58 PolarHBondContact O-OD1 3.33Å; D55-N58 PolarHBondContact OD1-N 3.12Å
56A71.3Confident87.4Confident77 Ų7749.1 Ų49.164%0.63626%0.255SS*.SBendtrans-63.5-25.5178.200000113.2
57T74.6Confident87Confident39 Ų3951.8 Ų51.824%0.23927%0.271CS..SBendtrans-86.1-34-174.973.10000112.8D55 F59D55-T57 PolarHBondContact O-N 3.02Å; D55-T57 WeakPolarHBondContact OD1-CA 3.45Å; D55-T57 WeakPolarHBondContact OD1-CB 3.42Å; D55-T57 PolarHBondContact OD1-N 3.39Å; D55-T57 PolarHBondContact OD1-OG1 3.05Å; D55-T57 PolarHBondContact OD2-OG1 2.83Å; T57-F59 HydrophobicContact CG2-CE2 4.42Å; T57-F59 WeakPolarHBondContact O-CD1 3.26Å; T57-F59 PolarHBondContact O-N 2.93Å; T57-F59 PolarHBondContact OG1-N 2.83Å
58N84.1Confident86.6Confident51 Ų5150.4 Ų50.427%0.27327%0.268SS..  trans53.135.6-174.7-58.4-85.1000113.3Q52 I53 D55 R76Q52-N58 WeakPolarHBondContact CG-O 3.06Å; Q52-N58 PolarHBondContact NE2-O 3.38Å; I53-N58 WeakPolarHBondContact O-CA 3.3Å; D55-N58 PolarHBondContact O-ND2 3.48Å; D55-N58 VanDerWaalsContact O-ND2 3.12Å; D55-N58 PolarHBondContact O-OD1 3.33Å; D55-N58 PolarHBondContact OD1-N 3.12Å; N58-R76 PolarHBondContact OD1-NH1 3.44Å
59F88.9Confident86.2Confident44 Ų4449.7 Ų49.719%0.19326%0.263CS..PPolyproline II helixtrans-71.1144.1178.7-68.2-12.3000112.5Q52 I53 T57 R112 D113Q52-F59 CarbonylContact C-O 3.4Å; Q52-F59 VanDerWaalsContact CA-O 3.23Å; Q52-F59 WeakPolarHBondContact CA-O 3.45Å; I53-F59 PolarHBondContact N-O 3.08Å; T57-F59 HydrophobicContact CG2-CE2 4.42Å; T57-F59 WeakPolarHBondContact O-CD1 3.26Å; T57-F59 PolarHBondContact O-N 2.93Å; T57-F59 PolarHBondContact OG1-N 2.83Å; F59-R112 HydrophobicContact CE1-CB 3.82Å; F59-R112 HydrophobicContact CZ-CB 4.19Å; F59-D113 WeakPolarHBondContact CA-OD2 3.25Å; F59-D113 HydrophobicContact CD1-CB 3.74Å; F59-D113 HydrophobicContact CE1-CB 4.11Å; F59-D113 HydrophobicContact CG-CB 4.4Å
60Y92.9Very high85.7Confident7 Ų751.9 Ų51.93%0.02727%0.274CS..BIsolated β-bridgetrans-70.5140.9178.2-75.6-76.4000111.9A50 Q52 N65 T78 T79 P81 T84 D113 F116A50-Y60 HydrophobicContact CB-CD1 3.82Å; A50-Y60 HydrophobicContact CB-CE1 3.91Å; Q52-Y60 HydrophobicContact CG-CD1 3.6Å; Q52-Y60 HydrophobicContact CG-CE1 3.78Å; Q52-Y60 HydrophobicContact CG-CG 4.03Å; Y60-N65 PolarHBondContact O-ND2 2.81Å; Y60-T78 HydrophobicContact CE1-CG2 3.76Å; Y60-T79 PolarHBondContact OH-O 3.25Å; Y60-P81 HydrophobicContact CD1-CG 3.64Å; Y60-P81 HydrophobicContact CD2-CB 4.25Å; Y60-P81 HydrophobicContact CD2-CG 3.88Å; Y60-P81 HydrophobicContact CE1-CB 4.49Å; Y60-P81 HydrophobicContact CE1-CG 3.75Å; Y60-P81 HydrophobicContact CE2-CB 4.09Å; Y60-P81 HydrophobicContact CE2-CG 4.01Å; Y60-P81 HydrophobicContact CG-CG 3.7Å; Y60-T84 PolarHBondContact OH-OG1 2.96Å; Y60-D113 WeakPolarHBondContact CB-OD2 3.43Å; Y60-D113 WeakPolarHBondContact CD2-OD2 3.23Å; Y60-D113 PolarHBondContact N-OD2 3.09Å; Y60-F116 HydrophobicContact CD2-CB 4.28Å; Y60-F116 HydrophobicContact CE2-CB 4.09Å
61I92.1Very high85.2Confident8 Ų856 Ų564%0.04130%0.295CS..PPolyproline II helixtrans-89.5131.2171.3-64.7167.3000108.2L30 L51 I53 N65 R66 I69 L75L30-I61 HydrophobicContact CD1-CG2 4.07Å; L30-I61 HydrophobicContact CD2-CG2 3.94Å; L30-I61 WeakPolarHBondContact CD2-O 3.34Å; L51-I61 HydrophobicContact CB-CB 4.24Å; L51-I61 HydrophobicContact CB-CD1 3.97Å; L51-I61 PolarHBondContact O-N 3.32Å; I53-I61 HydrophobicContact CG1-CD1 4.16Å; I53-I61 HydrophobicContact CG1-CG1 4.12Å; I61-N65 WeakPolarHBondContact CA-OD1 3.25Å; I61-R66 HydrophobicContact CG2-CB 4.04Å; I61-I69 HydrophobicContact CD1-CD1 3.84Å; I61-I69 HydrophobicContact CD1-CG1 4.08Å; I61-I69 HydrophobicContact CG1-CD1 4.48Å; I61-I69 HydrophobicContact CG2-CD1 3.87Å; I61-L75 HydrophobicContact CD1-CD1 3.98Å; I61-L75 HydrophobicContact CD1-CD2 3.55Å; I61-L75 HydrophobicContact CD1-CG 4.31Å
62T91.9Very high84.7Confident32 Ų3259 Ų5920%0.19633%0.326CS..  trans-130.1170-179.969.80000108.9K64 N65 R66 T115T62-K64 PolarHBondContact O-N 3.11Å; T62-K64 VanDerWaalsContact O-N 3.07Å; T62-K64 PolarHBondContact OG1-N 2.69Å; T62-N65 WeakPolarHBondContact CA-OD1 3.4Å; T62-N65 PolarHBondContact N-OD1 3.07Å; T62-N65 PolarHBondContact O-N 2.88Å; T62-N65 PolarHBondContact O-OD1 3.18Å; T62-N65 VanDerWaalsContact O-OD1 3.11Å; T62-N65 PolarHBondContact OG1-OD1 3.36Å; T62-R66 VanDerWaalsContact O-CB 3.31Å; T62-R66 WeakPolarHBondContact O-CB 3.24Å; T62-R66 PolarHBondContact O-N 3.36Å; T62-T115 HydrophobicContact CG2-CG2 3.6Å; T62-T115 WeakPolarHBondContact CG2-OG1 3.2Å
63E89.9Confident84.5Confident102 Ų10259.4 Ų59.448%0.47733%0.331SS..THydrogen-bonded Turntrans-60.4-18.1172.7-65.7-68.4177.600113.4L30 R66L30-E63 VanDerWaalsContact CB-OE1 3.24Å; L30-E63 WeakPolarHBondContact CB-OE1 3.47Å; L30-E63 PolarHBondContact N-OE1 2.79Å; E63-R66 IonicContact OE1-NH1 2.77Å; E63-R66 WeakPolarHBondContact OE2-CD 3.23Å; E63-R66 IonicContact OE2-CZ 3.01Å; E63-R66 IonicContact OE2-NE 3.59Å; E63-R66 IonicContact OE2-NH1 3.64Å; E63-R66 PolarHBondContact OE2-NH1 2.81Å
64K84.1Confident84.6Confident196 Ų19660.8 Ų60.885%0.85234%0.338SS*.THydrogen-bonded Turntrans-82.8-35.3-179.9-64.7-177.5-180177.40113.6T62T62-K64 PolarHBondContact O-N 3.11Å; T62-K64 VanDerWaalsContact O-N 3.07Å; T62-K64 PolarHBondContact OG1-N 2.69Å
65N85.1Confident85Confident42 Ų4259.6 Ų59.623%0.22533%0.328CS..THydrogen-bonded Turntrans-114.31.6-174.967.1-11.7000113.4Y60 I61 T62 N67 D68Y60-N65 PolarHBondContact O-ND2 2.81Å; I61-N65 WeakPolarHBondContact CA-OD1 3.25Å; T62-N65 WeakPolarHBondContact CA-OD1 3.4Å; T62-N65 PolarHBondContact N-OD1 3.07Å; T62-N65 PolarHBondContact O-N 2.88Å; T62-N65 PolarHBondContact O-OD1 3.18Å; T62-N65 VanDerWaalsContact O-OD1 3.11Å; T62-N65 PolarHBondContact OG1-OD1 3.36Å; N65-N67 PolarHBondContact O-N 3.21Å; N65-N67 VanDerWaalsContact O-N 3.09Å; N65-D68 WeakPolarHBondContact CB-OD2 3.47Å; N65-D68 VanDerWaalsContact O-CB 3.24Å; N65-D68 WeakPolarHBondContact O-CB 3.4Å; N65-D68 PolarHBondContact O-N 2.81Å
66R85.2Confident85.7Confident11 Ų1161.4 Ų61.44%0.04233%0.332CS..G310 helixtrans-58.3-21.9176.362.6178.6-67176.75114.8Q26 K28 I33 I61 T62 E63 D68 I69Q26-R66 VanDerWaalsContact CA-NH2 3.31Å; Q26-R66 PolarHBondContact NE2-O 3.12Å; Q26-R66 VanDerWaalsContact O-CZ 3.29Å; Q26-R66 PolarHBondContact O-NH2 3.44Å; Q26-R66 VanDerWaalsContact OE1-NH2 3.08Å; K28-R66 PolarHBondContact O-NH1 2.79Å; K28-R66 PolarHBondContact O-NH2 3.2Å; I33-R66 VanDerWaalsContact CD1-NH2 3.31Å; I61-R66 HydrophobicContact CG2-CB 4.04Å; T62-R66 VanDerWaalsContact O-CB 3.31Å; T62-R66 WeakPolarHBondContact O-CB 3.24Å; T62-R66 PolarHBondContact O-N 3.36Å; E63-R66 IonicContact OE1-NH1 2.77Å; E63-R66 WeakPolarHBondContact OE2-CD 3.23Å; E63-R66 IonicContact OE2-CZ 3.01Å; E63-R66 IonicContact OE2-NE 3.59Å; E63-R66 IonicContact OE2-NH1 3.64Å; E63-R66 PolarHBondContact OE2-NH1 2.81Å; R66-D68 PolarHBondContact O-N 2.85Å; R66-I69 HydrophobicContact CB-CD1 4.32Å; R66-I69 WeakPolarHBondContact O-CB 3.31Å; R66-I69 WeakPolarHBondContact O-CD1 3.39Å; R66-I69 VanDerWaalsContact O-CG1 3.25Å; R66-I69 WeakPolarHBondContact O-CG1 3.37Å; R66-I69 PolarHBondContact O-N 3.07Å
67N80.8Confident86.8Confident121 Ų12157.8 Ų57.865%0.64730%0.301SS*.G310 helixtrans-72.8-16.4176.2-64.6-21.2000112N65 I69N65-N67 PolarHBondContact O-N 3.21Å; N65-N67 VanDerWaalsContact O-N 3.09Å; N67-I69 PolarHBondContact O-N 3.41Å
68D79.4Confident87.6Confident108 Ų10857.4 Ų57.458%0.57830%0.299SS*.G310 helixtrans-76.6-10.2175.9-54-22.4000111.7N65 R66 K70N65-D68 WeakPolarHBondContact CB-OD2 3.47Å; N65-D68 VanDerWaalsContact O-CB 3.24Å; N65-D68 WeakPolarHBondContact O-CB 3.4Å; N65-D68 PolarHBondContact O-N 2.81Å; R66-D68 PolarHBondContact O-N 2.85Å; D68-K70 PolarHBondContact O-N 3.5Å
69I84.3Confident88.1Confident11 Ų1156.7 Ų56.76%0.05630%0.297CS..  trans-71.1123177.4-56.6170000109.4V8 V10 I61 R66 N67 L75V8-I69 HydrophobicContact CG2-CG2 3.95Å; V10-I69 HydrophobicContact CG1-CG2 3.59Å; I61-I69 HydrophobicContact CD1-CD1 3.84Å; I61-I69 HydrophobicContact CD1-CG1 4.08Å; I61-I69 HydrophobicContact CG1-CD1 4.48Å; I61-I69 HydrophobicContact CG2-CD1 3.87Å; R66-I69 HydrophobicContact CB-CD1 4.32Å; R66-I69 WeakPolarHBondContact O-CB 3.31Å; R66-I69 WeakPolarHBondContact O-CD1 3.39Å; R66-I69 VanDerWaalsContact O-CG1 3.25Å; R66-I69 WeakPolarHBondContact O-CG1 3.37Å; R66-I69 PolarHBondContact O-N 3.07Å; N67-I69 PolarHBondContact O-N 3.41Å; I69-L75 HydrophobicContact CD1-CD1 4.4Å
70K83.8Confident88.3Confident89 Ų8955.3 Ų55.339%0.38729%0.292SS..  trans-107.5162-178.6-63.1-175-179-174.70111.8D68 G72 S73 D605D68-K70 PolarHBondContact O-N 3.5Å; K70-G72 PolarHBondContact O-N 3.18Å; K70-S73 PolarHBondContact N-OG 2.84Å; K70-S73 VanDerWaalsContact N-OG 3.12Å; K70-S73 VanDerWaalsContact O-CB 3.3Å; K70-S73 WeakPolarHBondContact O-CB 3.5Å; K70-S73 PolarHBondContact O-N 2.82Å; K70-S73 PolarHBondContact O-OG 2.58Å; K70-D605 IonicContact NZ-OD1 3.73Å; K70-D605 PolarHBondContact NZ-OD1 2.78Å
71N83.4Confident88.4Confident95 Ų9555.9 Ų55.951%0.50830%0.297SS..THydrogen-bonded Turntrans-59127.1169.6-78.1-68000109.9K9K9-N71 WeakPolarHBondContact CB-OD1 3.28Å; K9-N71 PolarHBondContact N-OD1 2.89Å; K9-N71 CarbonylContact O-C 3.49Å; K9-N71 WeakPolarHBondContact O-CA 3.35Å
72G83.9Confident88.5Confident63 Ų6361 Ų6165%0.64932%0.316SS*.THydrogen-bonded Turntrans90.2-1.6-176.400000114.7K9 K70 I74K9-G72 PolarHBondContact O-N 2.78Å; K70-G72 PolarHBondContact O-N 3.18Å; G72-I74 PolarHBondContact O-N 2.99Å
73S86.9Confident88.7Confident30 Ų3062 Ų6221%0.2132%0.319CS..  trans-60138.3173.6-67.50000111.1V10 A11 K70V10-S73 WeakPolarHBondContact CA-O 3.43Å; V10-S73 WeakPolarHBondContact CB-O 3.43Å; A11-S73 PolarHBondContact N-O 2.95Å; K70-S73 PolarHBondContact N-OG 2.84Å; K70-S73 VanDerWaalsContact N-OG 3.12Å; K70-S73 VanDerWaalsContact O-CB 3.3Å; K70-S73 WeakPolarHBondContact O-CB 3.5Å; K70-S73 PolarHBondContact O-N 2.82Å; K70-S73 PolarHBondContact O-OG 2.58Å
74I90.2Very high88.9Confident78 Ų7858.3 Ų58.340%0.430%0.304SS..EExtended strand (participates in β ladder)trans-97.6122.8170.8-52.1177.4000107.1A11 E13 A54 G72A11-I74 HydrophobicContact CB-CG1 4.47Å; A11-I74 CarbonylContact O-C 3.5Å; A11-I74 WeakPolarHBondContact O-CA 3.4Å; E13-I74 HydrophobicContact CG-CG2 3.75Å; A54-I74 HydrophobicContact CB-CB 4.1Å; A54-I74 HydrophobicContact CB-CG2 3.71Å; A54-I74 VanDerWaalsContact CB-O 3.31Å; A54-I74 WeakPolarHBondContact CB-O 3.47Å; A54-I74 PolarHBondContact N-O 2.97Å; G72-I74 PolarHBondContact O-N 2.99Å
75L93.3Very high89.5Confident1 Ų149 Ų491%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-111.5154.9178.8-51.8-174.4000109.2V10 A11 I12 E13 I24 L51 Q52 I61 I69V10-L75 HydrophobicContact CB-CD1 4.29Å; V10-L75 HydrophobicContact CB-CG 4.36Å; V10-L75 HydrophobicContact CG1-CD1 4.26Å; V10-L75 HydrophobicContact CG1-CG 4.49Å; V10-L75 HydrophobicContact CG2-CD1 4.18Å; A11-L75 PolarHBondContact O-N 3.2Å; I12-L75 CarbonylContact C-O 3.58Å; I12-L75 WeakPolarHBondContact CA-O 2.9Å; I12-L75 HydrophobicContact CG1-CB 4.26Å; I12-L75 HydrophobicContact CG2-CB 4.48Å; E13-L75 PolarHBondContact N-O 3.15Å; I24-L75 HydrophobicContact CD1-CD1 3.97Å; L51-L75 HydrophobicContact CD1-CD1 4.21Å; Q52-L75 CarbonylContact O-C 3.52Å; Q52-L75 VanDerWaalsContact O-CA 3.26Å; Q52-L75 WeakPolarHBondContact O-CA 3.3Å; I61-L75 HydrophobicContact CD1-CD1 3.98Å; I61-L75 HydrophobicContact CD1-CD2 3.55Å; I61-L75 HydrophobicContact CD1-CG 4.31Å; I69-L75 HydrophobicContact CD1-CD1 4.4Å
76R93.3Very high90Very high85 Ų8549.6 Ų49.632%0.32127%0.266SS..EExtended strand (participates in β ladder)trans-118.3128.2173.1-176176.8-66.2148.15.9109.7L51 Q52 A54 N58L51-R76 CarbonylContact C-O 3.58Å; L51-R76 WeakPolarHBondContact CA-O 3.31Å; Q52-R76 PolarHBondContact N-O 3.44Å; Q52-R76 PolarHBondContact O-N 3.02Å; A54-R76 HydrophobicContact CB-CB 4.27Å; N58-R76 PolarHBondContact OD1-NH1 3.44Å
77L93.8Very high90.4Very high1 Ų153.5 Ų53.51%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-79.3124.3166.1-172.576.5000108.6I12 E13 W14 I34 V37 W41 L43 Y49 L51I12-L77 HydrophobicContact CG2-CB 4.27Å; E13-L77 PolarHBondContact O-N 3.22Å; W14-L77 HydrophobicContact CE3-CB 4.01Å; W14-L77 HydrophobicContact CE3-CD2 3.91Å; W14-L77 HydrophobicContact CE3-CG 4.13Å; W14-L77 VanDerWaalsContact CE3-O 3.27Å; W14-L77 HydrophobicContact CZ3-CD2 4.32Å; W14-L77 HydrophobicContact CZ3-CG 4.4Å; W14-L77 WeakPolarHBondContact CZ3-O 3.35Å; I34-L77 HydrophobicContact CG2-CD1 4.42Å; V37-L77 HydrophobicContact CG1-CD1 4.2Å; V37-L77 HydrophobicContact CG1-CD2 4.04Å; V37-L77 HydrophobicContact CG1-CG 4.5Å; W41-L77 HydrophobicContact CE3-CD2 3.81Å; W41-L77 HydrophobicContact CZ3-CB 3.89Å; W41-L77 HydrophobicContact CZ3-CD2 3.8Å; W41-L77 HydrophobicContact CZ3-CG 4.49Å; L43-L77 HydrophobicContact CD1-CD2 3.49Å; L43-L77 VanDerWaalsContact CD1-CD2 3.49Å; Y49-L77 HydrophobicContact CD1-CD2 4.29Å; Y49-L77 HydrophobicContact CD1-CG 4.17Å; Y49-L77 HydrophobicContact CG-CG 4.49Å; L51-L77 HydrophobicContact CD2-CB 4.29Å; L51-L77 HydrophobicContact CD2-CD1 3.87Å
78T93.1Very high91.1Very high31 Ų3148.3 Ų48.319%0.1926%0.257CS..EExtended strand (participates in β ladder)trans-139.4176.3-179.7-170.90000110.6Y49 A50 Q52 Y60Y49-T78 CarbonylContact C-O 3.55Å; Y49-T78 VanDerWaalsContact CA-O 3.23Å; Y49-T78 WeakPolarHBondContact CA-O 3.4Å; Y49-T78 WeakPolarHBondContact CD1-O 3.37Å; A50-T78 PolarHBondContact N-O 2.79Å; A50-T78 PolarHBondContact O-N 3.29Å; Q52-T78 HydrophobicContact CB-CG2 4.45Å; Q52-T78 VanDerWaalsContact CD-CG2 3.46Å; Q52-T78 HydrophobicContact CG-CG2 3.69Å; Y60-T78 HydrophobicContact CE1-CG2 3.76Å
79T93.2Very high91.8Very high36 Ų3644.8 Ų44.822%0.22124%0.237CC..EExtended strand (participates in β ladder)trans-60.3149.1172.447.10000111T48 Y60 T84T48-T79 CarbonylContact O-C 3.59Å; T48-T79 WeakPolarHBondContact O-CA 3.45Å; Y60-T79 PolarHBondContact OH-O 3.25Å; T79-T84 PolarHBondContact OG1-OG1 2.96Å
80S94.4Very high92.2Very high15 Ų1549.8 Ų49.811%0.10526%0.26CS..  trans-64.9152.7-178.868.90000111.4T48 Y82 Q83 T84T48-S80 PolarHBondContact O-N 2.82Å; S80-Y82 PolarHBondContact O-N 3.12Å; S80-Y82 VanDerWaalsContact O-N 3.12Å; S80-Q83 PolarHBondContact O-N 2.92Å; S80-Q83 WeakPolarHBondContact OG-CG 3.46Å; S80-T84 PolarHBondContact O-N 2.83Å; S80-T84 PolarHBondContact O-OG1 2.91Å; S80-T84 VanDerWaalsContact O-OG1 3.13Å
81P94.4Very high92.6Very high19 Ų1950.8 Ų50.812%0.12326%0.261CS..Hα-helixtrans-51.6-41.2-178.3-24.428.9000113Y60 T84 A85 T115 E119Y60-P81 HydrophobicContact CD1-CG 3.64Å; Y60-P81 HydrophobicContact CD2-CB 4.25Å; Y60-P81 HydrophobicContact CD2-CG 3.88Å; Y60-P81 HydrophobicContact CE1-CB 4.49Å; Y60-P81 HydrophobicContact CE1-CG 3.75Å; Y60-P81 HydrophobicContact CE2-CB 4.09Å; Y60-P81 HydrophobicContact CE2-CG 4.01Å; Y60-P81 HydrophobicContact CG-CG 3.7Å; P81-T84 PolarHBondContact O-N 2.87Å; P81-A85 WeakPolarHBondContact O-CB 3.24Å; P81-A85 PolarHBondContact O-N 2.94Å; P81-T115 HydrophobicContact CB-CG2 4.32Å; P81-T115 HydrophobicContact CG-CG2 3.9Å; P81-E119 HydrophobicContact CB-CG 4.1Å
82Y95Very high92.9Very high114 Ų11446.3 Ų46.345%0.44724%0.237SC..Hα-helixtrans-61.7-45.6175.9175-100.8000112.3S80 A85 L86 L123S80-Y82 PolarHBondContact O-N 3.12Å; S80-Y82 VanDerWaalsContact O-N 3.12Å; Y82-A85 PolarHBondContact O-N 3.09Å; Y82-L86 HydrophobicContact CE1-CD2 4.38Å; Y82-L86 WeakPolarHBondContact O-CB 3.2Å; Y82-L86 PolarHBondContact O-N 3.03Å; Y82-L123 HydrophobicContact CE2-CD2 4.08Å
83Q94.5Very high93.1Very high55 Ų5548.4 Ų48.426%0.25723%0.23SC..Hα-helixtrans-68.2-41.4178.8-74.1-160.8-900112.5T48 S80 A85 L86 Q87T48-Q83 PolarHBondContact O-OE1 3.45Å; S80-Q83 PolarHBondContact O-N 2.92Å; S80-Q83 WeakPolarHBondContact OG-CG 3.46Å; Q83-A85 VanDerWaalsContact C-N 3.32Å; Q83-L86 PolarHBondContact O-N 3.3Å; Q83-Q87 WeakPolarHBondContact O-CB 3.5Å; Q83-Q87 VanDerWaalsContact O-CG 3.22Å; Q83-Q87 WeakPolarHBondContact O-CG 3.33Å; Q83-Q87 PolarHBondContact O-N 3.12Å
84T94.6Very high93Very high24 Ų2448.8 Ų48.815%0.14723%0.233CC..Hα-helixtrans-60.8-45.1174.1-46.40000110.4Y60 T79 S80 P81 L86 Q87 L88 F116Y60-T84 PolarHBondContact OH-OG1 2.96Å; T79-T84 PolarHBondContact OG1-OG1 2.96Å; S80-T84 PolarHBondContact O-N 2.83Å; S80-T84 PolarHBondContact O-OG1 2.91Å; S80-T84 VanDerWaalsContact O-OG1 3.13Å; P81-T84 PolarHBondContact O-N 2.87Å; T84-L86 PolarHBondContact O-N 2.87Å; T84-Q87 PolarHBondContact O-N 3.49Å; T84-L88 HydrophobicContact CG2-CD1 4.11Å; T84-L88 HydrophobicContact CG2-CG 4.48Å; T84-L88 WeakPolarHBondContact O-CB 3.21Å; T84-L88 VanDerWaalsContact O-CG 3.29Å; T84-L88 WeakPolarHBondContact O-CG 3.45Å; T84-L88 PolarHBondContact O-N 2.92Å; T84-F116 HydrophobicContact CG2-CD2 4.45Å; T84-F116 HydrophobicContact CG2-CE2 4.1Å
85A96.1Very high92.5Very high0 Ų051 Ų510%026%0.256CS..Hα-helixtrans-61.3-44.6177.300000111.7P81 Y82 Q83 L88 H89 F116 E119 F120 L123P81-A85 WeakPolarHBondContact O-CB 3.24Å; P81-A85 PolarHBondContact O-N 2.94Å; Y82-A85 PolarHBondContact O-N 3.09Å; Q83-A85 VanDerWaalsContact C-N 3.32Å; A85-L88 PolarHBondContact O-N 3.28Å; A85-H89 WeakPolarHBondContact O-CB 3.26Å; A85-H89 PolarHBondContact O-N 3.28Å; A85-F116 HydrophobicContact CB-CD2 4.34Å; A85-F116 HydrophobicContact CB-CE2 3.83Å; A85-F116 HydrophobicContact CB-CZ 4.37Å; A85-E119 HydrophobicContact CB-CB 4.07Å; A85-F120 HydrophobicContact CB-CB 4.11Å; A85-F120 HydrophobicContact CB-CD2 4.18Å; A85-L123 HydrophobicContact CB-CD1 3.84Å
86L95.6Very high92.1Very high54 Ų5453.6 Ų53.628%0.28327%0.274SS..Hα-helixtrans-62.8-47.5177.1-173.967.8000111.9Y82 Q83 T84 L88 H89 E90 L123Y82-L86 HydrophobicContact CE1-CD2 4.38Å; Y82-L86 WeakPolarHBondContact O-CB 3.2Å; Y82-L86 PolarHBondContact O-N 3.03Å; Q83-L86 PolarHBondContact O-N 3.3Å; T84-L86 PolarHBondContact O-N 2.87Å; L86-L88 PolarHBondContact O-N 3.34Å; L86-H89 PolarHBondContact O-N 3.47Å; L86-E90 WeakPolarHBondContact O-CG 3.47Å; L86-E90 PolarHBondContact O-N 2.86Å; L86-L123 HydrophobicContact CB-CD1 4.22Å; L86-L123 HydrophobicContact CD1-CD1 4.4Å; L86-L123 HydrophobicContact CD1-CD2 4.36Å
87Q94.2Very high91.4Very high93 Ų9352.8 Ų52.844%0.43527%0.274SS..Hα-helixtrans-61-45.3178-74.1173.28.300111.8Q83 T84 R91Q83-Q87 WeakPolarHBondContact O-CB 3.5Å; Q83-Q87 VanDerWaalsContact O-CG 3.22Å; Q83-Q87 WeakPolarHBondContact O-CG 3.33Å; Q83-Q87 PolarHBondContact O-N 3.12Å; T84-Q87 PolarHBondContact O-N 3.49Å; Q87-R91 VanDerWaalsContact O-CB 3.32Å; Q87-R91 WeakPolarHBondContact O-CB 3.41Å; Q87-R91 VanDerWaalsContact O-CG 3.24Å; Q87-R91 WeakPolarHBondContact O-CG 3.43Å; Q87-R91 PolarHBondContact O-N 3.47Å
88L94.9Very high90.9Very high13 Ų1358.1 Ų58.17%0.06830%0.303CS..Hα-helixtrans-65.7-43.6177.2-70177.4000111T84 A85 L86 E90 R91 I92 D106 L107 F116T84-L88 HydrophobicContact CG2-CD1 4.11Å; T84-L88 HydrophobicContact CG2-CG 4.48Å; T84-L88 WeakPolarHBondContact O-CB 3.21Å; T84-L88 VanDerWaalsContact O-CG 3.29Å; T84-L88 WeakPolarHBondContact O-CG 3.45Å; T84-L88 PolarHBondContact O-N 2.92Å; A85-L88 PolarHBondContact O-N 3.28Å; L86-L88 PolarHBondContact O-N 3.34Å; L88-E90 PolarHBondContact O-N 3.1Å; L88-R91 PolarHBondContact O-N 3.34Å; L88-I92 VanDerWaalsContact O-CB 3.3Å; L88-I92 WeakPolarHBondContact O-CB 3.23Å; L88-I92 WeakPolarHBondContact O-CD1 3.47Å; L88-I92 WeakPolarHBondContact O-CG1 3.46Å; L88-I92 PolarHBondContact O-N 2.79Å; L88-D106 HydrophobicContact CD2-CB 4.01Å; L88-L107 HydrophobicContact CD1-CB 4.31Å; L88-L107 HydrophobicContact CD1-CD1 4.33Å; L88-F116 HydrophobicContact CD1-CE2 3.91Å; L88-F116 HydrophobicContact CD1-CZ 3.74Å
89H94.8Very high90.6Very high33 Ų3357.7 Ų57.715%0.15330%0.302CS..Hα-helixtrans-57-46.3176.9-178.5-88000111.8A85 L86 Q93 F120 L123A85-H89 WeakPolarHBondContact O-CB 3.26Å; A85-H89 PolarHBondContact O-N 3.28Å; L86-H89 PolarHBondContact O-N 3.47Å; H89-Q93 PolarHBondContact CE1-NE2 2.79Å; H89-Q93 PolarHBondContact NE2-NE2 3.21Å; H89-Q93 WeakPolarHBondContact O-CG 3.22Å; H89-F120 HydrophobicContact CB-CE2 3.98Å; H89-L123 PolarHBondContact NE2-O 3.49Å
90E92.8Very high90.4Very high117 Ų11757.2 Ų57.255%0.54730%0.297SS..Hα-helixtrans-68.4-45.1176.5-70.7-179.8170.700112.8L86 L88 I92 Q93 S94L86-E90 WeakPolarHBondContact O-CG 3.47Å; L86-E90 PolarHBondContact O-N 2.86Å; L88-E90 PolarHBondContact O-N 3.1Å; E90-I92 VanDerWaalsContact C-N 3.34Å; E90-I92 PolarHBondContact O-N 2.96Å; E90-Q93 PolarHBondContact O-N 3.43Å; E90-Q93 VanDerWaalsContact O-N 3.12Å; E90-S94 PolarHBondContact O-N 3.48Å
91R91.4Very high90Very high110 Ų11058.4 Ų58.442%0.41530%0.302SS..Hα-helixtrans-66.4-35-177.8-73.6179.367.2156.80.2112.6Q87 L88 Q93 S94 E102 S103Q87-R91 VanDerWaalsContact O-CB 3.32Å; Q87-R91 WeakPolarHBondContact O-CB 3.41Å; Q87-R91 VanDerWaalsContact O-CG 3.24Å; Q87-R91 WeakPolarHBondContact O-CG 3.43Å; Q87-R91 PolarHBondContact O-N 3.47Å; L88-R91 PolarHBondContact O-N 3.34Å; R91-Q93 PolarHBondContact O-N 2.92Å; R91-S94 WeakPolarHBondContact O-CB 3.32Å; R91-S94 PolarHBondContact O-N 3.34Å; R91-S94 VanDerWaalsContact O-N 3.11Å; R91-S94 PolarHBondContact O-OG 3.02Å; R91-E102 IonicContact NH2-OE2 3.66Å; R91-E102 PolarHBondContact NH2-OE2 3.05Å; R91-S103 WeakPolarHBondContact CB-OG 3.32Å; R91-S103 PolarHBondContact NE-OG 3.45Å
92I90.4Very high89.8Confident1 Ų162.6 Ų62.61%0.00532%0.32CS..Hα-helixtrans-64.7-29.9174.9-71.6166.8000111.6L88 E90 S94 K100 L104 L107 L128 M132L88-I92 VanDerWaalsContact O-CB 3.3Å; L88-I92 WeakPolarHBondContact O-CB 3.23Å; L88-I92 WeakPolarHBondContact O-CD1 3.47Å; L88-I92 WeakPolarHBondContact O-CG1 3.46Å; L88-I92 PolarHBondContact O-N 2.79Å; E90-I92 VanDerWaalsContact C-N 3.34Å; E90-I92 PolarHBondContact O-N 2.96Å; I92-S94 VanDerWaalsContact C-N 3.33Å; I92-K100 VanDerWaalsContact O-CD 3.32Å; I92-K100 WeakPolarHBondContact O-CD 3.36Å; I92-K100 WeakPolarHBondContact O-CE 3.39Å; I92-K100 WeakPolarHBondContact O-CG 3.41Å; I92-L104 HydrophobicContact CD1-CD2 3.84Å; I92-L104 HydrophobicContact CD1-CG 4.42Å; I92-L104 HydrophobicContact CG1-CD2 4.03Å; I92-L104 HydrophobicContact CG1-CG 4.16Å; I92-L104 HydrophobicContact CG2-CD2 4.16Å; I92-L107 HydrophobicContact CD1-CB 4.23Å; I92-L107 HydrophobicContact CD1-CD2 3.55Å; I92-L107 HydrophobicContact CD1-CG 4.4Å; I92-L128 HydrophobicContact CB-CD2 4.47Å; I92-L128 HydrophobicContact CG2-CD2 4.06Å; I92-L128 HydrophobicContact CG2-CG 4.49Å; I92-M132 HydrophobicContact CG2-CE 3.79Å; I92-M132 HydrophobicContact CG2-SD 3.24Å; I92-M132 WeakPolarHBondContact CG2-SD 3.49Å
93Q87.3Confident89.7Confident107 Ų10757.2 Ų57.250%0.530%0.299SS..THydrogen-bonded Turntrans-83.5-6.5175.8-66.8-179.6-1.800113.9H89 E90 R91 L128H89-Q93 PolarHBondContact CE1-NE2 2.79Å; H89-Q93 PolarHBondContact NE2-NE2 3.21Å; H89-Q93 WeakPolarHBondContact O-CG 3.22Å; E90-Q93 PolarHBondContact O-N 3.43Å; E90-Q93 VanDerWaalsContact O-N 3.12Å; R91-Q93 PolarHBondContact O-N 2.92Å; Q93-L128 HydrophobicContact CG-CD1 3.77Å; Q93-L128 HydrophobicContact CG-CD2 4.06Å
94S85.3Confident89.6Confident37 Ų3754.6 Ų54.626%0.25929%0.287SS..SBendtrans-59.3169.6-177.973.70000113.6E90 R91 I92 S96 K100E90-S94 PolarHBondContact O-N 3.48Å; R91-S94 WeakPolarHBondContact O-CB 3.32Å; R91-S94 PolarHBondContact O-N 3.34Å; R91-S94 VanDerWaalsContact O-N 3.11Å; R91-S94 PolarHBondContact O-OG 3.02Å; I92-S94 VanDerWaalsContact C-N 3.33Å; S94-S96 PolarHBondContact OG-O 3.21Å; S94-K100 WeakPolarHBondContact O-CE 3.5Å; S94-K100 PolarHBondContact O-NZ 3.48Å
95S80.2Confident89.5Confident126 Ų12658.6 Ų58.688%0.88130%0.302SS*.SBendtrans-85-14.7173.154.60000113.3
96S84.5Confident89.3Confident55 Ų5562.1 Ų62.139%0.38532%0.321SS..  trans-85.1122.8-176175.40000111.5S94 A99 K100S94-S96 PolarHBondContact OG-O 3.21Å; S96-A99 PolarHBondContact OG-N 3.07Å; S96-K100 WeakPolarHBondContact O-CG 3.42Å; S96-K100 PolarHBondContact O-N 2.81Å; S96-K100 VanDerWaalsContact O-N 3.1Å
97M79.9Confident89.3Confident67 Ų6759.5 Ų59.533%0.3331%0.307SS..Hα-helixtrans-70.1-38.8-178.5-71.2-52.5-56.200113.4A99 K100 L101 Y140 L154M97-A99 VanDerWaalsContact C-N 3.33Å; M97-K100 WeakPolarHBondContact O-CB 3.33Å; M97-K100 PolarHBondContact O-N 3.33Å; M97-K100 HydrophobicContact SD-CD 4.21Å; M97-L101 WeakPolarHBondContact O-CB 3.49Å; M97-L101 PolarHBondContact O-N 3.11Å; M97-Y140 HydrophobicContact CE-CD1 4.32Å; M97-Y140 HydrophobicContact CE-CE1 3.66Å; M97-Y140 HydrophobicContact SD-CE1 3.64Å; M97-L154 HydrophobicContact CE-CD1 3.64Å
98D83.1Confident89.3Confident114 Ų11455.3 Ų55.361%0.6129%0.289SS*.Hα-helixtrans-65.3-42178.3-61-34.1000110.6K100 L101 E102D98-K100 VanDerWaalsContact C-N 3.32Å; D98-K100 PolarHBondContact O-N 2.79Å; D98-L101 PolarHBondContact O-N 3.24Å; D98-E102 WeakPolarHBondContact O-CB 3.35Å; D98-E102 PolarHBondContact O-N 2.94Å
99A86.2Confident89Confident22 Ų2259.2 Ų59.218%0.18231%0.31CS..Hα-helixtrans-62.9-38.517600000111.8S96 M97 S103S96-A99 PolarHBondContact OG-N 3.07Å; M97-A99 VanDerWaalsContact C-N 3.33Å; A99-S103 VanDerWaalsContact O-CB 3.29Å; A99-S103 WeakPolarHBondContact O-CB 3.47Å; A99-S103 PolarHBondContact O-N 2.75Å; A99-S103 PolarHBondContact O-OG 3.12Å
100K88.2Confident88.9Confident26 Ų2659 Ų5911%0.11331%0.313CS..Hα-helixtrans-64.4-47.5173.9-73.8-171.5-168.6-163.70112.4I92 S94 S96 M97 D98 S103 L104 L154I92-K100 VanDerWaalsContact O-CD 3.32Å; I92-K100 WeakPolarHBondContact O-CD 3.36Å; I92-K100 WeakPolarHBondContact O-CE 3.39Å; I92-K100 WeakPolarHBondContact O-CG 3.41Å; S94-K100 WeakPolarHBondContact O-CE 3.5Å; S94-K100 PolarHBondContact O-NZ 3.48Å; S96-K100 WeakPolarHBondContact O-CG 3.42Å; S96-K100 PolarHBondContact O-N 2.81Å; S96-K100 VanDerWaalsContact O-N 3.1Å; M97-K100 WeakPolarHBondContact O-CB 3.33Å; M97-K100 PolarHBondContact O-N 3.33Å; M97-K100 HydrophobicContact SD-CD 4.21Å; D98-K100 VanDerWaalsContact C-N 3.32Å; D98-K100 PolarHBondContact O-N 2.79Å; K100-S103 PolarHBondContact O-N 2.83Å; K100-L104 WeakPolarHBondContact O-CB 3.49Å; K100-L104 VanDerWaalsContact O-CG 3.27Å; K100-L104 WeakPolarHBondContact O-CG 3.43Å; K100-L104 PolarHBondContact O-N 2.91Å; K100-L154 HydrophobicContact CB-CD1 4.24Å
101L87.1Confident89Confident40 Ų4053.4 Ų53.421%0.20929%0.287CS..Hα-helixtrans-61.1-47.5-176.2-178.264.9000110.8M97 D98 L104 K105 D153 L154 F157M97-L101 WeakPolarHBondContact O-CB 3.49Å; M97-L101 PolarHBondContact O-N 3.11Å; D98-L101 PolarHBondContact O-N 3.24Å; L101-L104 PolarHBondContact O-N 2.88Å; L101-K105 PolarHBondContact O-N 2.8Å; L101-D153 HydrophobicContact CD1-CB 3.95Å; L101-L154 HydrophobicContact CD1-CB 4.11Å; L101-F157 HydrophobicContact CD1-CD2 3.98Å; L101-F157 HydrophobicContact CD1-CE2 4.11Å
102E90.3Very high88.9Confident107 Ų10750.3 Ų50.350%0.528%0.275SS..Hα-helixtrans-60-48.2175.4-172.3179.2-137.900111.2R91 D98 L104 K105 D106R91-E102 IonicContact NH2-OE2 3.66Å; R91-E102 PolarHBondContact NH2-OE2 3.05Å; D98-E102 WeakPolarHBondContact O-CB 3.35Å; D98-E102 PolarHBondContact O-N 2.94Å; E102-L104 VanDerWaalsContact C-N 3.32Å; E102-L104 PolarHBondContact O-N 3.32Å; E102-K105 WeakPolarHBondContact O-CB 3.33Å; E102-K105 PolarHBondContact O-N 2.9Å; E102-D106 PolarHBondContact O-N 2.82Å
103S92.4Very high88.9Confident0 Ų050.8 Ų50.80%028%0.278CS..Hα-helixtrans-66-32.7-179-51.30000112.9R91 A99 K100 L107R91-S103 WeakPolarHBondContact CB-OG 3.32Å; R91-S103 PolarHBondContact NE-OG 3.45Å; A99-S103 VanDerWaalsContact O-CB 3.29Å; A99-S103 WeakPolarHBondContact O-CB 3.47Å; A99-S103 PolarHBondContact O-N 2.75Å; A99-S103 PolarHBondContact O-OG 3.12Å; K100-S103 PolarHBondContact O-N 2.83Å; S103-L107 VanDerWaalsContact O-CB 3.25Å; S103-L107 WeakPolarHBondContact O-CB 3.45Å; S103-L107 PolarHBondContact O-N 3.07Å
104L92.6Very high89.1Confident0 Ų050.2 Ų50.20%028%0.277CS..Hα-helixtrans-72.1-36.2175.6-75.3168.3000112.1I92 K100 L101 E102 D106 L107 A108 L129 M132 L154 F157I92-L104 HydrophobicContact CD1-CD2 3.84Å; I92-L104 HydrophobicContact CD1-CG 4.42Å; I92-L104 HydrophobicContact CG1-CD2 4.03Å; I92-L104 HydrophobicContact CG1-CG 4.16Å; I92-L104 HydrophobicContact CG2-CD2 4.16Å; K100-L104 WeakPolarHBondContact O-CB 3.49Å; K100-L104 VanDerWaalsContact O-CG 3.27Å; K100-L104 WeakPolarHBondContact O-CG 3.43Å; K100-L104 PolarHBondContact O-N 2.91Å; L101-L104 PolarHBondContact O-N 2.88Å; E102-L104 VanDerWaalsContact C-N 3.32Å; E102-L104 PolarHBondContact O-N 3.32Å; L104-D106 VanDerWaalsContact C-N 3.35Å; L104-L107 HydrophobicContact CD2-CD2 4.32Å; L104-L107 PolarHBondContact O-N 3.25Å; L104-A108 WeakPolarHBondContact O-CB 3.18Å; L104-A108 PolarHBondContact O-N 3.38Å; L104-L129 HydrophobicContact CD2-CD2 4.3Å; L104-M132 HydrophobicContact CD1-CE 3.92Å; L104-M132 HydrophobicContact CD2-CE 4.17Å; L104-L154 HydrophobicContact CD1-CD1 3.8Å; L104-L154 HydrophobicContact CD1-CD2 4.25Å; L104-L154 HydrophobicContact CD1-CG 3.55Å; L104-F157 HydrophobicContact CB-CB 3.92Å
105K92.6Very high89.5Confident109 Ų10950 Ų5047%0.47427%0.274SS..Hα-helixtrans-62.2-46.1172.7-177.4-178.4177.8-174.90110.5L101 E102 L107 A108 N109 F157L101-K105 PolarHBondContact O-N 2.8Å; E102-K105 WeakPolarHBondContact O-CB 3.33Å; E102-K105 PolarHBondContact O-N 2.9Å; K105-L107 VanDerWaalsContact C-N 3.34Å; K105-A108 PolarHBondContact O-N 2.89Å; K105-N109 PolarHBondContact O-N 2.81Å; K105-N109 PolarHBondContact O-ND2 3.21Å; K105-F157 HydrophobicContact CB-CD1 4.3Å; K105-F157 HydrophobicContact CB-CD2 4.09Å; K105-F157 HydrophobicContact CB-CE1 4.22Å; K105-F157 HydrophobicContact CB-CE2 4Å; K105-F157 HydrophobicContact CB-CG 4.26Å; K105-F157 HydrophobicContact CB-CZ 4.08Å; K105-F157 HydrophobicContact CD-CZ 4.12Å; K105-F157 HydrophobicContact CG-CD1 4.38Å; K105-F157 HydrophobicContact CG-CE1 3.9Å; K105-F157 HydrophobicContact CG-CE2 4.28Å; K105-F157 HydrophobicContact CG-CZ 3.86Å
106D92.6Very high90.2Very high73 Ų7344 Ų4439%0.3923%0.232SC..Hα-helixtrans-64.4-40.3176.3-67.6-16.2000111.5L88 E102 L104 A108 N109 A110L88-D106 HydrophobicContact CD2-CB 4.01Å; E102-D106 PolarHBondContact O-N 2.82Å; L104-D106 VanDerWaalsContact C-N 3.35Å; D106-A108 PolarHBondContact O-N 3.22Å; D106-N109 PolarHBondContact O-N 3.03Å; D106-A110 WeakPolarHBondContact O-CB 3.31Å; D106-A110 PolarHBondContact O-N 2.98Å
107L95.4Very high90.7Very high0 Ų041.4 Ų41.40%021%0.214CC..Hα-helixtrans-61.1-44.3174.917966.9000112L88 I92 S103 L104 K105 N109 A110 S111 F116 F120 L129 A161L88-L107 HydrophobicContact CD1-CB 4.31Å; L88-L107 HydrophobicContact CD1-CD1 4.33Å; I92-L107 HydrophobicContact CD1-CB 4.23Å; I92-L107 HydrophobicContact CD1-CD2 3.55Å; I92-L107 HydrophobicContact CD1-CG 4.4Å; S103-L107 VanDerWaalsContact O-CB 3.25Å; S103-L107 WeakPolarHBondContact O-CB 3.45Å; S103-L107 PolarHBondContact O-N 3.07Å; L104-L107 HydrophobicContact CD2-CD2 4.32Å; L104-L107 PolarHBondContact O-N 3.25Å; K105-L107 VanDerWaalsContact C-N 3.34Å; L107-N109 VanDerWaalsContact C-N 3.28Å; L107-N109 PolarHBondContact O-N 3.18Å; L107-A110 PolarHBondContact O-N 2.8Å; L107-S111 VanDerWaalsContact O-CB 3.26Å; L107-S111 WeakPolarHBondContact O-CB 3.35Å; L107-S111 PolarHBondContact O-N 3.43Å; L107-S111 PolarHBondContact O-OG 3.49Å; L107-F116 HydrophobicContact CD1-CE1 3.54Å; L107-F116 HydrophobicContact CD1-CZ 3.52Å; L107-F120 HydrophobicContact CD1-CD1 4.04Å; L107-F120 HydrophobicContact CD1-CD2 3.95Å; L107-F120 HydrophobicContact CD1-CE1 3.87Å; L107-F120 HydrophobicContact CD1-CE2 3.79Å; L107-F120 HydrophobicContact CD1-CG 4.08Å; L107-F120 HydrophobicContact CD1-CZ 3.75Å; L107-F120 HydrophobicContact CD2-CE1 3.91Å; L107-F120 HydrophobicContact CD2-CE2 4.37Å; L107-F120 HydrophobicContact CD2-CZ 3.66Å; L107-F120 HydrophobicContact CG-CZ 4.39Å; L107-L129 HydrophobicContact CD2-CD1 4.39Å; L107-L129 HydrophobicContact CD2-CD2 3.84Å; L107-A161 HydrophobicContact CD2-CB 3.84Å; L107-A161 HydrophobicContact CG-CB 3.79Å
108A92.3Very high91.4Very high5 Ų541.6 Ų41.64%0.04121%0.214CC..Hα-helixtrans-59.4-4117900000111.5L104 K105 D106 F157 T160 A161L104-A108 WeakPolarHBondContact O-CB 3.18Å; L104-A108 PolarHBondContact O-N 3.38Å; K105-A108 PolarHBondContact O-N 2.89Å; D106-A108 PolarHBondContact O-N 3.22Å; A108-F157 HydrophobicContact CB-CB 4.48Å; A108-F157 HydrophobicContact CB-CD1 4.29Å; A108-T160 HydrophobicContact CB-CG2 4.08Å; A108-A161 HydrophobicContact CB-CB 4.35Å
109N90.6Very high92Very high95 Ų9539 Ų3951%0.50820%0.199SC..Hα-helixtrans-69.8-46.8175.6-68.1-31.1000112.1K105 D106 L107 S111 R112K105-N109 PolarHBondContact O-N 2.81Å; K105-N109 PolarHBondContact O-ND2 3.21Å; D106-N109 PolarHBondContact O-N 3.03Å; L107-N109 VanDerWaalsContact C-N 3.28Å; L107-N109 PolarHBondContact O-N 3.18Å; N109-S111 VanDerWaalsContact C-N 3.29Å; N109-S111 PolarHBondContact O-N 2.67Å; N109-R112 VanDerWaalsContact O-CB 3.3Å; N109-R112 WeakPolarHBondContact O-CB 3.45Å; N109-R112 WeakPolarHBondContact O-CG 3.31Å; N109-R112 PolarHBondContact O-N 2.8Å
110A92.6Very high92.5Very high27 Ų2738 Ų3822%0.22319%0.19CC..Hα-helixtrans-66-31.2-178.400000112.7D106 L107 R112 D113 F116D106-A110 WeakPolarHBondContact O-CB 3.31Å; D106-A110 PolarHBondContact O-N 2.98Å; L107-A110 PolarHBondContact O-N 2.8Å; A110-R112 PolarHBondContact O-N 3.05Å; A110-R112 VanDerWaalsContact O-N 3.1Å; A110-D113 PolarHBondContact O-N 2.89Å; A110-F116 HydrophobicContact CB-CD1 3.66Å; A110-F116 HydrophobicContact CB-CD2 4.01Å; A110-F116 HydrophobicContact CB-CE1 3.67Å; A110-F116 HydrophobicContact CB-CE2 3.99Å; A110-F116 HydrophobicContact CB-CG 3.84Å; A110-F116 HydrophobicContact CB-CZ 3.84Å; A110-F116 WeakPolarHBondContact O-CD1 3.38Å
111S94Very high92.9Very high0 Ų037.8 Ų37.80%019%0.19CC..THydrogen-bonded Turntrans-63.3-15.3177.4-61.20000113.1L107 N109 D113 H168 R569L107-S111 VanDerWaalsContact O-CB 3.26Å; L107-S111 WeakPolarHBondContact O-CB 3.35Å; L107-S111 PolarHBondContact O-N 3.43Å; L107-S111 PolarHBondContact O-OG 3.49Å; N109-S111 VanDerWaalsContact C-N 3.29Å; N109-S111 PolarHBondContact O-N 2.67Å; S111-D113 PolarHBondContact O-N 2.94Å; S111-H168 PolarHBondContact O-NE2 2.84Å; S111-R569 PolarHBondContact O-NH2 3.23Å
112R90Very high93.2Very high46 Ų4640.3 Ų40.317%0.17420%0.204CC..THydrogen-bonded Turntrans-62.7-30.3172.4-64.6176.576.8-163.62.5111.8F59 N109 A110 E164 H168 R569 E591F59-R112 HydrophobicContact CE1-CB 3.82Å; F59-R112 HydrophobicContact CZ-CB 4.19Å; N109-R112 VanDerWaalsContact O-CB 3.3Å; N109-R112 WeakPolarHBondContact O-CB 3.45Å; N109-R112 WeakPolarHBondContact O-CG 3.31Å; N109-R112 PolarHBondContact O-N 2.8Å; A110-R112 PolarHBondContact O-N 3.05Å; A110-R112 VanDerWaalsContact O-N 3.1Å; R112-E164 WeakPolarHBondContact CG-OE2 3.27Å; R112-H168 PolarHBondContact O-CE1 3.21Å; R112-H168 VanDerWaalsContact O-CE1 3.24Å; R112-H168 PolarHBondContact O-NE2 3.47Å; R112-R569 VanDerWaalsContact CA-NH1 3.33Å; R112-R569 PolarHBondContact O-NH1 3.03Å; R112-E591 IonicContact CZ-OE1 3.43Å; R112-E591 IonicContact NH1-OE1 3.82Å; R112-E591 PolarHBondContact NH1-OE1 3.39Å; R112-E591 IonicContact NH2-OE1 2.62Å; R112-E591 PolarHBondContact NH2-OE1 3.01Å
113D90.6Very high93.5Very high11 Ų1137 Ų376%0.05919%0.189CC..SBendtrans-88.4128.1179.8-172.9-18.2000111.7F59 Y60 A110 S111 T115 F116 A117 H168F59-D113 WeakPolarHBondContact CA-OD2 3.25Å; F59-D113 HydrophobicContact CD1-CB 3.74Å; F59-D113 HydrophobicContact CE1-CB 4.11Å; F59-D113 HydrophobicContact CG-CB 4.4Å; Y60-D113 WeakPolarHBondContact CB-OD2 3.43Å; Y60-D113 WeakPolarHBondContact CD2-OD2 3.23Å; Y60-D113 PolarHBondContact N-OD2 3.09Å; A110-D113 PolarHBondContact O-N 2.89Å; S111-D113 PolarHBondContact O-N 2.94Å; D113-T115 VanDerWaalsContact C-N 3.28Å; D113-T115 PolarHBondContact O-N 2.95Å; D113-T115 WeakPolarHBondContact OD1-CB 3.41Å; D113-T115 PolarHBondContact OD1-N 3.32Å; D113-T115 PolarHBondContact OD1-OG1 2.79Å; D113-T115 VanDerWaalsContact OD1-OG1 3.12Å; D113-F116 HydrophobicContact CB-CB 4.28Å; D113-F116 PolarHBondContact O-N 3Å; D113-A117 VanDerWaalsContact O-CB 3.27Å; D113-A117 WeakPolarHBondContact O-CB 3.29Å; D113-A117 PolarHBondContact O-N 3.23Å; D113-H168 PolarHBondContact O-NE2 2.72Å
114I90.7Very high93.6Very high95 Ų9542.4 Ų42.449%0.48722%0.218SC..Hα-helixtrans-64-32.6178.5-166.6169.1000112.7A117 Q118 H168 I170I114-A117 PolarHBondContact O-N 3.01Å; I114-Q118 WeakPolarHBondContact O-CB 3.49Å; I114-Q118 PolarHBondContact O-N 2.94Å; I114-H168 VanDerWaalsContact CA-CE1 3.46Å; I114-H168 WeakPolarHBondContact CA-CE1 3.46Å; I114-H168 HydrophobicContact CG1-CB 4.46Å; I114-H168 PolarHBondContact N-CE1 3.3Å; I114-H168 VanDerWaalsContact N-CE1 3.31Å; I114-I170 HydrophobicContact CG1-CD1 4.26Å
115T92.8Very high93.6Very high32 Ų3242.4 Ų42.420%0.19622%0.218CC..Hα-helixtrans-66.8-47.8-179-480000110.4T62 P81 D113T62-T115 HydrophobicContact CG2-CG2 3.6Å; T62-T115 WeakPolarHBondContact CG2-OG1 3.2Å; P81-T115 HydrophobicContact CB-CG2 4.32Å; P81-T115 HydrophobicContact CG-CG2 3.9Å; D113-T115 VanDerWaalsContact C-N 3.28Å; D113-T115 PolarHBondContact O-N 2.95Å; D113-T115 WeakPolarHBondContact OD1-CB 3.41Å; D113-T115 PolarHBondContact OD1-N 3.32Å; D113-T115 PolarHBondContact OD1-OG1 2.79Å; D113-T115 VanDerWaalsContact OD1-OG1 3.12Å
116F95.8Very high93.6Very high0 Ų037.8 Ų37.80%020%0.199CC..Hα-helixtrans-65.6-45.1173.8171-90.4000111.4Y60 T84 A85 L88 L107 A110 D113 Q118 E119 F120Y60-F116 HydrophobicContact CD2-CB 4.28Å; Y60-F116 HydrophobicContact CE2-CB 4.09Å; T84-F116 HydrophobicContact CG2-CD2 4.45Å; T84-F116 HydrophobicContact CG2-CE2 4.1Å; A85-F116 HydrophobicContact CB-CD2 4.34Å; A85-F116 HydrophobicContact CB-CE2 3.83Å; A85-F116 HydrophobicContact CB-CZ 4.37Å; L88-F116 HydrophobicContact CD1-CE2 3.91Å; L88-F116 HydrophobicContact CD1-CZ 3.74Å; L107-F116 HydrophobicContact CD1-CE1 3.54Å; L107-F116 HydrophobicContact CD1-CZ 3.52Å; A110-F116 HydrophobicContact CB-CD1 3.66Å; A110-F116 HydrophobicContact CB-CD2 4.01Å; A110-F116 HydrophobicContact CB-CE1 3.67Å; A110-F116 HydrophobicContact CB-CE2 3.99Å; A110-F116 HydrophobicContact CB-CG 3.84Å; A110-F116 HydrophobicContact CB-CZ 3.84Å; A110-F116 WeakPolarHBondContact O-CD1 3.38Å; D113-F116 HydrophobicContact CB-CB 4.28Å; D113-F116 PolarHBondContact O-N 3Å; F116-Q118 VanDerWaalsContact C-N 3.27Å; F116-Q118 PolarHBondContact O-N 3.49Å; F116-E119 PolarHBondContact O-N 3.4Å; F116-E119 VanDerWaalsContact O-N 3.14Å; F116-F120 HydrophobicContact CE1-CB 3.98Å; F116-F120 HydrophobicContact CE1-CG 4.28Å; F116-F120 HydrophobicContact CZ-CB 4.08Å; F116-F120 HydrophobicContact CZ-CD2 4.12Å; F116-F120 HydrophobicContact CZ-CG 4.23Å; F116-F120 PolarHBondContact O-N 3.31Å
117A95.2Very high93.6Very high0 Ų037.5 Ų37.50%020%0.202CC..Hα-helixtrans-56.2-42.8-178.700000112D113 I114 E119 F120 I121 L165 H168 I170D113-A117 VanDerWaalsContact O-CB 3.27Å; D113-A117 WeakPolarHBondContact O-CB 3.29Å; D113-A117 PolarHBondContact O-N 3.23Å; I114-A117 PolarHBondContact O-N 3.01Å; A117-E119 PolarHBondContact O-N 3.5Å; A117-F120 PolarHBondContact O-N 3.13Å; A117-I121 WeakPolarHBondContact O-CB 3.44Å; A117-I121 WeakPolarHBondContact O-CD1 3.42Å; A117-I121 WeakPolarHBondContact O-CG1 3.45Å; A117-I121 PolarHBondContact O-N 2.6Å; A117-L165 HydrophobicContact CB-CD2 3.5Å; A117-L165 VanDerWaalsContact CB-CD2 3.5Å; A117-H168 WeakPolarHBondContact CB-CD2 3.23Å; A117-I170 HydrophobicContact CB-CD1 4.44Å
118Q94.2Very high93.4Very high72 Ų7238.1 Ų38.134%0.33621%0.206SC..Hα-helixtrans-59.2-46.8177.7-173.264.758.300112.1I114 F116 I121 N122 I170I114-Q118 WeakPolarHBondContact O-CB 3.49Å; I114-Q118 PolarHBondContact O-N 2.94Å; F116-Q118 VanDerWaalsContact C-N 3.27Å; F116-Q118 PolarHBondContact O-N 3.49Å; Q118-I121 PolarHBondContact O-N 3.03Å; Q118-N122 PolarHBondContact NE2-OD1 2.93Å; Q118-N122 VanDerWaalsContact NE2-OD1 3.09Å; Q118-N122 WeakPolarHBondContact O-CB 3.38Å; Q118-N122 PolarHBondContact O-N 3.29Å; Q118-N122 PolarHBondContact O-ND2 3.14Å; Q118-N122 PolarHBondContact O-OD1 3.38Å; Q118-I170 HydrophobicContact CB-CD1 4.41Å
119E96.2Very high93.4Very high59 Ų5938 Ų3828%0.27620%0.204SC..Hα-helixtrans-66.1-42.2179-65.7-56.8154.400112P81 A85 F116 A117 I121 N122 L123P81-E119 HydrophobicContact CB-CG 4.1Å; A85-E119 HydrophobicContact CB-CB 4.07Å; F116-E119 PolarHBondContact O-N 3.4Å; F116-E119 VanDerWaalsContact O-N 3.14Å; A117-E119 PolarHBondContact O-N 3.5Å; E119-I121 VanDerWaalsContact C-N 3.34Å; E119-I121 PolarHBondContact O-N 2.99Å; E119-N122 WeakPolarHBondContact O-CB 3.27Å; E119-N122 PolarHBondContact O-N 3.43Å; E119-L123 WeakPolarHBondContact O-CG 3.2Å; E119-L123 PolarHBondContact O-N 2.94Å; E119-L123 VanDerWaalsContact O-N 3.14Å
120F97.1Very high93.5Very high0 Ų034.4 Ų34.40%019%0.186CC..Hα-helixtrans-66.8-35.8177.8-168-102.4000112.4A85 H89 L107 F116 A117 L123 G125 L129 L165A85-F120 HydrophobicContact CB-CB 4.11Å; A85-F120 HydrophobicContact CB-CD2 4.18Å; H89-F120 HydrophobicContact CB-CE2 3.98Å; L107-F120 HydrophobicContact CD1-CD1 4.04Å; L107-F120 HydrophobicContact CD1-CD2 3.95Å; L107-F120 HydrophobicContact CD1-CE1 3.87Å; L107-F120 HydrophobicContact CD1-CE2 3.79Å; L107-F120 HydrophobicContact CD1-CG 4.08Å; L107-F120 HydrophobicContact CD1-CZ 3.75Å; L107-F120 HydrophobicContact CD2-CE1 3.91Å; L107-F120 HydrophobicContact CD2-CE2 4.37Å; L107-F120 HydrophobicContact CD2-CZ 3.66Å; L107-F120 HydrophobicContact CG-CZ 4.39Å; F116-F120 HydrophobicContact CE1-CB 3.98Å; F116-F120 HydrophobicContact CE1-CG 4.28Å; F116-F120 HydrophobicContact CZ-CB 4.08Å; F116-F120 HydrophobicContact CZ-CD2 4.12Å; F116-F120 HydrophobicContact CZ-CG 4.23Å; F116-F120 PolarHBondContact O-N 3.31Å; A117-F120 PolarHBondContact O-N 3.13Å; F120-L123 PolarHBondContact O-N 3.08Å; F120-G125 WeakPolarHBondContact O-CA 3.33Å; F120-G125 PolarHBondContact O-N 3.43Å; F120-L129 HydrophobicContact CE1-CD1 4.26Å; F120-L129 HydrophobicContact CE1-CG 4.43Å; F120-L165 HydrophobicContact CD1-CD1 3.67Å; F120-L165 HydrophobicContact CD1-CD2 4.37Å; F120-L165 HydrophobicContact CE1-CD1 3.94Å
121I94.8Very high93.3Very high22 Ų2238.8 Ų38.811%0.11320%0.202CC..Hα-helixtrans-66-41.9173-71162.5000110.8A117 Q118 E119 L123 D124 I126 I170 V171A117-I121 WeakPolarHBondContact O-CB 3.44Å; A117-I121 WeakPolarHBondContact O-CD1 3.42Å; A117-I121 WeakPolarHBondContact O-CG1 3.45Å; A117-I121 PolarHBondContact O-N 2.6Å; Q118-I121 PolarHBondContact O-N 3.03Å; E119-I121 VanDerWaalsContact C-N 3.34Å; E119-I121 PolarHBondContact O-N 2.99Å; I121-L123 PolarHBondContact O-N 3.41Å; I121-D124 PolarHBondContact O-N 3.36Å; I121-I126 HydrophobicContact CG1-CG1 4.02Å; I121-I170 HydrophobicContact CD1-CB 3.89Å; I121-I170 HydrophobicContact CD1-CD1 3.74Å; I121-I170 HydrophobicContact CD1-CG1 4.41Å; I121-I170 HydrophobicContact CD1-CG2 3.98Å; I121-I170 HydrophobicContact CG2-CG2 4.31Å; I121-V171 HydrophobicContact CD1-CG2 4.13Å; I121-V171 HydrophobicContact CG1-CG2 4.34Å; I121-V171 HydrophobicContact CG2-CG2 3.66Å
122N95.4Very high93Very high94 Ų9440.2 Ų40.250%0.50321%0.208SC..Hα-helixtrans-62.1-24.3176.4-67-17.7000112.7Q118 E119 D124Q118-N122 PolarHBondContact NE2-OD1 2.93Å; Q118-N122 VanDerWaalsContact NE2-OD1 3.09Å; Q118-N122 WeakPolarHBondContact O-CB 3.38Å; Q118-N122 PolarHBondContact O-N 3.29Å; Q118-N122 PolarHBondContact O-ND2 3.14Å; Q118-N122 PolarHBondContact O-OD1 3.38Å; E119-N122 WeakPolarHBondContact O-CB 3.27Å; E119-N122 PolarHBondContact O-N 3.43Å; N122-D124 VanDerWaalsContact C-N 3.26Å; N122-D124 PolarHBondContact O-N 2.97Å
123L95.4Very high93Very high36 Ų3638.1 Ų38.119%0.18820%0.201CC..THydrogen-bonded Turntrans-87.118.4173.6-66.4173.6000113.2Y82 A85 L86 H89 E119 F120 I121 G125Y82-L123 HydrophobicContact CE2-CD2 4.08Å; A85-L123 HydrophobicContact CB-CD1 3.84Å; L86-L123 HydrophobicContact CB-CD1 4.22Å; L86-L123 HydrophobicContact CD1-CD1 4.4Å; L86-L123 HydrophobicContact CD1-CD2 4.36Å; H89-L123 PolarHBondContact NE2-O 3.49Å; E119-L123 WeakPolarHBondContact O-CG 3.2Å; E119-L123 PolarHBondContact O-N 2.94Å; E119-L123 VanDerWaalsContact O-N 3.14Å; F120-L123 PolarHBondContact O-N 3.08Å; I121-L123 PolarHBondContact O-N 3.41Å; L123-G125 PolarHBondContact O-N 2.87Å
124D93.9Very high92.8Very high114 Ų11440.7 Ų40.761%0.6121%0.212SC*.THydrogen-bonded Turntrans57.327.8-175.3-68.5-48000113.7I121 N122 I126 S127 L128I121-D124 PolarHBondContact O-N 3.36Å; N122-D124 VanDerWaalsContact C-N 3.26Å; N122-D124 PolarHBondContact O-N 2.97Å; D124-I126 VanDerWaalsContact C-N 3.28Å; D124-I126 PolarHBondContact O-N 2.95Å; D124-S127 WeakPolarHBondContact O-CB 3.4Å; D124-S127 PolarHBondContact O-N 3.42Å; D124-L128 PolarHBondContact O-N 2.87Å; D124-L128 VanDerWaalsContact O-N 3.11Å
125G93.8Very high92.1Very high0 Ų039.2 Ų39.20%021%0.211CC..Hα-helixtrans-60.9-31.7-176.300000114.2F120 L123 L128 L129F120-G125 WeakPolarHBondContact O-CA 3.33Å; F120-G125 PolarHBondContact O-N 3.43Å; L123-G125 PolarHBondContact O-N 2.87Å; G125-L128 WeakPolarHBondContact O-CB 3.39Å; G125-L128 PolarHBondContact O-N 2.96Å; G125-L129 WeakPolarHBondContact O-CG 3.22Å; G125-L129 PolarHBondContact O-N 3.26Å
126I92.5Very high90.7Very high13 Ų1338.2 Ų38.27%0.06721%0.206CC..Hα-helixtrans-62.9-45.8173.6-66.4-67000110.8I121 D124 L128 L129 T130 F162 L165 M166 V171 F176I121-I126 HydrophobicContact CG1-CG1 4.02Å; D124-I126 VanDerWaalsContact C-N 3.28Å; D124-I126 PolarHBondContact O-N 2.95Å; I126-L128 VanDerWaalsContact C-N 3.29Å; I126-L128 PolarHBondContact O-N 3.31Å; I126-L129 PolarHBondContact O-N 2.84Å; I126-T130 HydrophobicContact CG2-CG2 4.33Å; I126-T130 WeakPolarHBondContact O-CG2 3.27Å; I126-T130 PolarHBondContact O-N 3.31Å; I126-T130 PolarHBondContact O-OG1 3.47Å; I126-F162 HydrophobicContact CD1-CD2 4.43Å; I126-F162 HydrophobicContact CG2-CE2 4.26Å; I126-L165 HydrophobicContact CD1-CB 3.67Å; I126-L165 HydrophobicContact CD1-CD1 3.8Å; I126-L165 HydrophobicContact CD1-CG 4.38Å; I126-M166 HydrophobicContact CD1-SD 4.12Å; I126-V171 HydrophobicContact CG1-CG2 4.39Å; I126-F176 HydrophobicContact CG2-CE1 3.63Å; I126-F176 HydrophobicContact CG2-CZ 4Å
127S91.6Very high88.8Confident66 Ų6638.5 Ų38.546%0.46221%0.208SC..Hα-helixtrans-60.2-41.7176.9-58.70000110.9D124 T130 Q131D124-S127 WeakPolarHBondContact O-CB 3.4Å; D124-S127 PolarHBondContact O-N 3.42Å; S127-T130 WeakPolarHBondContact CA-OG1 3.09Å; S127-T130 PolarHBondContact O-N 2.98Å; S127-T130 PolarHBondContact O-OG1 3.22Å; S127-Q131 WeakPolarHBondContact O-CB 3.41Å; S127-Q131 PolarHBondContact O-N 3.32Å
128L92.2Very high86.8Confident14 Ų1445.6 Ų45.67%0.07324%0.242CC..Hα-helixtrans-58-49.5173.1175.660.7000112.2I92 Q93 D124 G125 I126 Q131 M132I92-L128 HydrophobicContact CB-CD2 4.47Å; I92-L128 HydrophobicContact CG2-CD2 4.06Å; I92-L128 HydrophobicContact CG2-CG 4.49Å; Q93-L128 HydrophobicContact CG-CD1 3.77Å; Q93-L128 HydrophobicContact CG-CD2 4.06Å; D124-L128 PolarHBondContact O-N 2.87Å; D124-L128 VanDerWaalsContact O-N 3.11Å; G125-L128 WeakPolarHBondContact O-CB 3.39Å; G125-L128 PolarHBondContact O-N 2.96Å; I126-L128 VanDerWaalsContact C-N 3.29Å; I126-L128 PolarHBondContact O-N 3.31Å; L128-Q131 PolarHBondContact O-N 3.37Å; L128-M132 HydrophobicContact CD1-CG 4.35Å; L128-M132 HydrophobicContact CD1-SD 4.31Å; L128-M132 HydrophobicContact CG-SD 4.29Å; L128-M132 VanDerWaalsContact O-CG 3.29Å; L128-M132 WeakPolarHBondContact O-CG 3.36Å; L128-M132 PolarHBondContact O-N 3.14Å
129L92.9Very high84.8Confident1 Ų151.9 Ų51.91%0.00526%0.262CS..Hα-helixtrans-63.8-43.3-180-65176.8000112.1L104 L107 F120 G125 I126 Q131 M132 V133 T158 A161 F162 L165L104-L129 HydrophobicContact CD2-CD2 4.3Å; L107-L129 HydrophobicContact CD2-CD1 4.39Å; L107-L129 HydrophobicContact CD2-CD2 3.84Å; F120-L129 HydrophobicContact CE1-CD1 4.26Å; F120-L129 HydrophobicContact CE1-CG 4.43Å; G125-L129 WeakPolarHBondContact O-CG 3.22Å; G125-L129 PolarHBondContact O-N 3.26Å; I126-L129 PolarHBondContact O-N 2.84Å; L129-Q131 PolarHBondContact O-N 3.47Å; L129-M132 WeakPolarHBondContact O-CB 3.43Å; L129-M132 PolarHBondContact O-N 3.48Å; L129-V133 WeakPolarHBondContact O-CG2 3.46Å; L129-V133 PolarHBondContact O-N 2.93Å; L129-T158 HydrophobicContact CB-CG2 4.39Å; L129-T158 HydrophobicContact CD2-CG2 3.85Å; L129-A161 HydrophobicContact CD1-CB 4.23Å; L129-F162 HydrophobicContact CD1-CB 4.25Å; L129-L165 HydrophobicContact CD1-CD1 3.66Å
130T91.4Very high82.8Confident21 Ų2150.8 Ų50.813%0.12926%0.256CS..Hα-helixtrans-61.7-44176.659.50000111.5I126 S127 M132 V133 E134 F162 F176 F180I126-T130 HydrophobicContact CG2-CG2 4.33Å; I126-T130 WeakPolarHBondContact O-CG2 3.27Å; I126-T130 PolarHBondContact O-N 3.31Å; I126-T130 PolarHBondContact O-OG1 3.47Å; S127-T130 WeakPolarHBondContact CA-OG1 3.09Å; S127-T130 PolarHBondContact O-N 2.98Å; S127-T130 PolarHBondContact O-OG1 3.22Å; T130-M132 VanDerWaalsContact C-N 3.31Å; T130-M132 PolarHBondContact O-N 3.2Å; T130-V133 PolarHBondContact O-N 2.56Å; T130-V133 VanDerWaalsContact O-N 3.17Å; T130-E134 WeakPolarHBondContact O-CG 3.41Å; T130-E134 PolarHBondContact O-N 3Å; T130-F162 HydrophobicContact CG2-CE2 3.95Å; T130-F176 HydrophobicContact CG2-CD1 3.81Å; T130-F176 HydrophobicContact CG2-CE1 3.73Å; T130-F180 HydrophobicContact CG2-CD2 3.94Å; T130-F180 HydrophobicContact CG2-CE2 3.92Å; T130-F180 HydrophobicContact CG2-CG 4.26Å; T130-F180 HydrophobicContact CG2-CZ 4.23Å
131Q88.9Confident80.6Confident119 Ų11955.3 Ų55.356%0.55628%0.277SS*.Hα-helixtrans-62-39.3175.3-171.2-17712.100111.6S127 L128 L129 V133 E134 S135S127-Q131 WeakPolarHBondContact O-CB 3.41Å; S127-Q131 PolarHBondContact O-N 3.32Å; L128-Q131 PolarHBondContact O-N 3.37Å; L129-Q131 PolarHBondContact O-N 3.47Å; Q131-V133 VanDerWaalsContact C-N 3.35Å; Q131-E134 PolarHBondContact O-N 3.38Å; Q131-S135 VanDerWaalsContact O-CB 3.27Å; Q131-S135 WeakPolarHBondContact O-CB 3.22Å; Q131-S135 PolarHBondContact O-N 2.95Å; Q131-S135 PolarHBondContact O-OG 3.34Å
132M87.6Confident78.7Confident29 Ų2962.9 Ų62.914%0.14331%0.309CS..Hα-helixtrans-63.3-39.9175.1-74.2-179.966.300112.2I92 L104 L128 L129 T130 G136 T158I92-M132 HydrophobicContact CG2-CE 3.79Å; I92-M132 HydrophobicContact CG2-SD 3.24Å; I92-M132 WeakPolarHBondContact CG2-SD 3.49Å; L104-M132 HydrophobicContact CD1-CE 3.92Å; L104-M132 HydrophobicContact CD2-CE 4.17Å; L128-M132 HydrophobicContact CD1-CG 4.35Å; L128-M132 HydrophobicContact CD1-SD 4.31Å; L128-M132 HydrophobicContact CG-SD 4.29Å; L128-M132 VanDerWaalsContact O-CG 3.29Å; L128-M132 WeakPolarHBondContact O-CG 3.36Å; L128-M132 PolarHBondContact O-N 3.14Å; L129-M132 WeakPolarHBondContact O-CB 3.43Å; L129-M132 PolarHBondContact O-N 3.48Å; T130-M132 VanDerWaalsContact C-N 3.31Å; T130-M132 PolarHBondContact O-N 3.2Å; M132-G136 WeakPolarHBondContact O-CA 3.27Å; M132-G136 PolarHBondContact O-N 3.19Å; M132-T158 HydrophobicContact CB-CG2 4.45Å
133V89.1Confident76.6Confident2 Ų262.4 Ų62.41%0.01231%0.306CS..Hα-helixtrans-66.5-45.7175.5170.90000111.3L129 T130 Q131 L155 T158 L159 F180 K183 I184 F187L129-V133 WeakPolarHBondContact O-CG2 3.46Å; L129-V133 PolarHBondContact O-N 2.93Å; T130-V133 PolarHBondContact O-N 2.56Å; T130-V133 VanDerWaalsContact O-N 3.17Å; Q131-V133 VanDerWaalsContact C-N 3.35Å; V133-L155 HydrophobicContact CG2-CD1 4.19Å; V133-T158 HydrophobicContact CG2-CG2 3.95Å; V133-L159 HydrophobicContact CG2-CD2 3.86Å; V133-F180 HydrophobicContact CB-CD2 4.17Å; V133-F180 HydrophobicContact CB-CE2 3.8Å; V133-F180 HydrophobicContact CG1-CD2 4.03Å; V133-F180 HydrophobicContact CG1-CE2 3.76Å; V133-F180 HydrophobicContact CG2-CE2 4.07Å; V133-K183 HydrophobicContact CG1-CB 4.31Å; V133-K183 HydrophobicContact CG1-CG 3.92Å; V133-K183 WeakPolarHBondContact O-CE 3.29Å; V133-I184 HydrophobicContact CG1-CD1 3.87Å; V133-F187 HydrophobicContact CG1-CE2 3.83Å; V133-F187 HydrophobicContact CG1-CZ 4.16Å
134E87.1Confident74.3Confident65 Ų6564.7 Ų64.730%0.30432%0.316SS..Hα-helixtrans-65.8-53.5-179-72.1179.2174.600112.3T130 Q131 S177 F180 K183T130-E134 WeakPolarHBondContact O-CG 3.41Å; T130-E134 PolarHBondContact O-N 3Å; Q131-E134 PolarHBondContact O-N 3.38Å; E134-S177 PolarHBondContact OE1-OG 2.97Å; E134-F180 HydrophobicContact CG-CB 4.32Å; E134-F180 HydrophobicContact CG-CD2 4.48Å; E134-F180 WeakPolarHBondContact OE1-CA 3.28Å; E134-F180 WeakPolarHBondContact OE1-CB 2.87Å; E134-F180 PolarHBondContact OE1-N 3.41Å; E134-K183 PolarHBondContact O-NZ 3.18Å
135S75.9Confident72.5Confident65 Ų6568.8 Ų68.846%0.45533%0.328SS..Hα-helixtrans-87.6-22.8-172.970.70000114.1Q131 T137Q131-S135 VanDerWaalsContact O-CB 3.27Å; Q131-S135 WeakPolarHBondContact O-CB 3.22Å; Q131-S135 PolarHBondContact O-N 2.95Å; Q131-S135 PolarHBondContact O-OG 3.34Å; S135-T137 PolarHBondContact O-N 2.8Å; S135-T137 VanDerWaalsContact O-N 3.11Å
136G63.9Low70.6Confident10 Ų1075.2 Ų75.210%0.10336%0.361CS..THydrogen-bonded Turntrans-73.92.4-172.300000115.1M132 Y140 F151M132-G136 WeakPolarHBondContact O-CA 3.27Å; M132-G136 PolarHBondContact O-N 3.19Å; G136-Y140 VanDerWaalsContact CA-CD2 3.5Å; G136-Y140 VanDerWaalsContact O-CB 3.25Å; G136-Y140 WeakPolarHBondContact O-CB 3.32Å; G136-Y140 WeakPolarHBondContact O-CD2 3.35Å; G136-Y140 VanDerWaalsContact O-CG 3.29Å; G136-F151 WeakPolarHBondContact O-CE2 3.42Å
137T56.5Low68.9Low7 Ų779.1 Ų79.14%0.04338%0.38CS..THydrogen-bonded Turntrans-104.7-35.2179.4-10.80000112.6S135 Q141 F151 K183 F187S135-T137 PolarHBondContact O-N 2.8Å; S135-T137 VanDerWaalsContact O-N 3.11Å; T137-Q141 VanDerWaalsContact O-CB 3.24Å; T137-Q141 WeakPolarHBondContact O-CB 3.49Å; T137-Q141 WeakPolarHBondContact O-CG 3.41Å; T137-Q141 PolarHBondContact O-N 3.44Å; T137-F151 HydrophobicContact CG2-CZ 4.02Å; T137-K183 WeakPolarHBondContact OG1-CE 3.26Å; T137-K183 PolarHBondContact OG1-NZ 3.38Å; T137-F187 HydrophobicContact CG2-CE1 4.36Å
138E53.3Low67.1Low149 Ų14983.9 Ų83.970%0.69639%0.393SS*.Hα-helixtrans-77.2-40.5-178.9-68.4-176.217200112Y140E138-Y140 VanDerWaalsContact C-N 3.27Å; E138-Y140 PolarHBondContact O-N 3.01Å
139R51.7Low65.4Low203 Ų20388 Ų8877%0.76642%0.42SS*.Hα-helixtrans-69-29.2176.8-154.2175.3-173.6177.91112
140Y52.8Low64Low37 Ų3790.2 Ų90.215%0.14544%0.435CS..Hα-helixtrans-101.4-14.8-174-60.9-97.4000113.8M97 G136 E138 K142 L143 Q144 F151M97-Y140 HydrophobicContact CE-CD1 4.32Å; M97-Y140 HydrophobicContact CE-CE1 3.66Å; M97-Y140 HydrophobicContact SD-CE1 3.64Å; G136-Y140 VanDerWaalsContact CA-CD2 3.5Å; G136-Y140 VanDerWaalsContact O-CB 3.25Å; G136-Y140 WeakPolarHBondContact O-CB 3.32Å; G136-Y140 WeakPolarHBondContact O-CD2 3.35Å; G136-Y140 VanDerWaalsContact O-CG 3.29Å; E138-Y140 VanDerWaalsContact C-N 3.27Å; E138-Y140 PolarHBondContact O-N 3.01Å; Y140-K142 PolarHBondContact O-N 3.2Å; Y140-L143 HydrophobicContact CD1-CD1 4.16Å; Y140-L143 CarbonylContact O-C 3.57Å; Y140-L143 WeakPolarHBondContact O-CA 3.14Å; Y140-L143 WeakPolarHBondContact O-CB 3.32Å; Y140-L143 PolarHBondContact O-N 2.87Å; Y140-Q144 WeakPolarHBondContact O-CB 3.48Å; Y140-Q144 PolarHBondContact O-N 3.38Å; Y140-F151 HydrophobicContact CG-CE2 4.43Å
141Q52Low63.1Low95 Ų9590.9 Ų90.944%0.44444%0.436SS..Hα-helixtrans-57-31.1168.1-94.6170.810.500112.7T137T137-Q141 VanDerWaalsContact O-CB 3.24Å; T137-Q141 WeakPolarHBondContact O-CB 3.49Å; T137-Q141 WeakPolarHBondContact O-CG 3.41Å; T137-Q141 PolarHBondContact O-N 3.44Å
142K54.2Low62.4Low180 Ų18085.8 Ų85.878%0.78342%0.415SS*.THydrogen-bonded Turntrans-67.7-33.8171.6-77.3-178.9178.21760112.7Y140Y140-K142 PolarHBondContact O-N 3.2Å
143L51Low62.1Low85 Ų8588 Ų8845%0.44543%0.428SS..THydrogen-bonded Turntrans-86.2-21.7178.7-74.9157.2000113Y140 K145 I146 M147Y140-L143 HydrophobicContact CD1-CD1 4.16Å; Y140-L143 CarbonylContact O-C 3.57Å; Y140-L143 WeakPolarHBondContact O-CA 3.14Å; Y140-L143 WeakPolarHBondContact O-CB 3.32Å; Y140-L143 PolarHBondContact O-N 2.87Å; L143-K145 PolarHBondContact O-N 2.87Å; L143-K145 VanDerWaalsContact O-N 3.15Å; L143-I146 PolarHBondContact O-N 3.37Å; L143-M147 PolarHBondContact O-N 2.76Å
144Q49.1Very low61.9Low84 Ų8488.6 Ų88.639%0.39343%0.431SS..THydrogen-bonded Turntrans-59.8-24.5178.8-166.5176.722.800113.1Y140 I146Y140-Q144 WeakPolarHBondContact O-CB 3.48Å; Y140-Q144 PolarHBondContact O-N 3.38Å; Q144-I146 VanDerWaalsContact C-N 3.31Å
145K54.2Low61.9Low199 Ų19986 Ų8687%0.86542%0.419SS*.THydrogen-bonded Turntrans-73.7-18.6173.2-74.6-174.4177.4-179.20113.8L143L143-K145 PolarHBondContact O-N 2.87Å; L143-K145 VanDerWaalsContact O-N 3.15Å
146I54.5Low62.5Low136 Ų13683.6 Ų83.670%0.69740%0.402SS*.THydrogen-bonded Turntrans-110.3-36.5-172.1-54.9175.4000111.2L143 Q144L143-I146 PolarHBondContact O-N 3.37Å; Q144-I146 VanDerWaalsContact C-N 3.31Å
147M55.9Low63.8Low94 Ų9485.7 Ų85.746%0.46341%0.409SS..  trans-132.361.5-176-67.4177.170.300111.8L143L143-M147 PolarHBondContact O-N 2.76Å
148K55.8Low65.5Low167 Ų16785.4 Ų85.473%0.72641%0.407SS*.Hα-helixtrans-56.7-36.7-177.6-155.1178.8-179.6-172.10115.3
149P55.5Low67.4Low100 Ų10078.3 Ų78.365%0.64937%0.374SS*.Hα-helixtrans-68.6-46.8-176.9-19.932.1000114.1F151P149-F151 VanDerWaalsContact C-N 3.26Å; P149-F151 PolarHBondContact O-N 3.23Å; P149-F151 VanDerWaalsContact O-N 3.16Å
150C64.6Low69.3Low48 Ų4869.7 Ų69.732%0.32434%0.344SS..Hα-helixtrans-70.3-16.1-170.7-60.50000114.9L154C150-L154 WeakPolarHBondContact O-CB 3.13Å; C150-L154 PolarHBondContact O-N 3.33Å; C150-L154 VanDerWaalsContact O-N 3.15Å
151F71.3Confident71.2Confident35 Ų3567.9 Ų67.915%0.15434%0.337CS..Hα-helixtrans-75.2-39-177.4-177.2-95.9000112.6G136 T137 Y140 P149 D153 L154 L155G136-F151 WeakPolarHBondContact O-CE2 3.42Å; T137-F151 HydrophobicContact CG2-CZ 4.02Å; Y140-F151 HydrophobicContact CG-CE2 4.43Å; P149-F151 VanDerWaalsContact C-N 3.26Å; P149-F151 PolarHBondContact O-N 3.23Å; P149-F151 VanDerWaalsContact O-N 3.16Å; F151-D153 VanDerWaalsContact C-N 3.34Å; F151-L154 PolarHBondContact O-N 2.7Å; F151-L155 HydrophobicContact CE1-CD2 4.23Å; F151-L155 HydrophobicContact CZ-CD2 4.45Å; F151-L155 PolarHBondContact O-N 2.99Å; F151-L155 VanDerWaalsContact O-N 3.15Å
152G75.4Confident73.2Confident11 Ų1163.4 Ų63.411%0.11332%0.316CS..Hα-helixtrans-59.4-48.5175.500000110.5L154 L155 S156G152-L154 PolarHBondContact O-N 3.18Å; G152-L155 PolarHBondContact O-N 2.96Å; G152-S156 WeakPolarHBondContact O-CB 3.49Å; G152-S156 PolarHBondContact O-N 2.85Å
153D80.1Confident74.9Confident75 Ų7555.9 Ų55.940%0.40129%0.285SS..Hα-helixtrans-59.9-47.5178.5-59.9-29000112.4L101 F151 L155 S156 F157L101-D153 HydrophobicContact CD1-CB 3.95Å; F151-D153 VanDerWaalsContact C-N 3.34Å; D153-L155 PolarHBondContact O-N 3.48Å; D153-S156 PolarHBondContact O-N 2.9Å; D153-F157 HydrophobicContact CB-CD2 4.43Å; D153-F157 HydrophobicContact CB-CE2 4.06Å; D153-F157 WeakPolarHBondContact O-CD2 3.4Å; D153-F157 WeakPolarHBondContact O-CG 3.35Å; D153-F157 PolarHBondContact O-N 3.06Å
154L85.3Confident76.8Confident15 Ų1552.5 Ų52.58%0.07927%0.267CS..Hα-helixtrans-60.4-46.4-178.8-171.9124000112M97 K100 L101 L104 C150 F151 G152 T158M97-L154 HydrophobicContact CE-CD1 3.64Å; K100-L154 HydrophobicContact CB-CD1 4.24Å; L101-L154 HydrophobicContact CD1-CB 4.11Å; L104-L154 HydrophobicContact CD1-CD1 3.8Å; L104-L154 HydrophobicContact CD1-CD2 4.25Å; L104-L154 HydrophobicContact CD1-CG 3.55Å; C150-L154 WeakPolarHBondContact O-CB 3.13Å; C150-L154 PolarHBondContact O-N 3.33Å; C150-L154 VanDerWaalsContact O-N 3.15Å; F151-L154 PolarHBondContact O-N 2.7Å; G152-L154 PolarHBondContact O-N 3.18Å; L154-T158 WeakPolarHBondContact O-CB 3.36Å; L154-T158 PolarHBondContact O-N 2.82Å; L154-T158 PolarHBondContact O-OG1 3.1Å
155L86.9Confident78.8Confident11 Ų1148.5 Ų48.56%0.05825%0.248CC..Hα-helixtrans-69.8-39178.3-175.359000111.2V133 F151 G152 D153 T158 L159 F187 V197V133-L155 HydrophobicContact CG2-CD1 4.19Å; F151-L155 HydrophobicContact CE1-CD2 4.23Å; F151-L155 HydrophobicContact CZ-CD2 4.45Å; F151-L155 PolarHBondContact O-N 2.99Å; F151-L155 VanDerWaalsContact O-N 3.15Å; G152-L155 PolarHBondContact O-N 2.96Å; D153-L155 PolarHBondContact O-N 3.48Å; L155-T158 WeakPolarHBondContact O-CB 3.12Å; L155-T158 PolarHBondContact O-N 3.05Å; L155-L159 HydrophobicContact CD1-CD1 4.31Å; L155-L159 HydrophobicContact CD1-CD2 4.5Å; L155-L159 HydrophobicContact CD1-CG 4.12Å; L155-L159 HydrophobicContact CG-CD1 4.09Å; L155-L159 HydrophobicContact CG-CG 4.32Å; L155-L159 WeakPolarHBondContact O-CB 3.28Å; L155-L159 VanDerWaalsContact O-CG 3.29Å; L155-L159 WeakPolarHBondContact O-CG 3.43Å; L155-L159 PolarHBondContact O-N 3.37Å; L155-F187 HydrophobicContact CD1-CE2 4.15Å; L155-F187 HydrophobicContact CD1-CZ 4.24Å; L155-F187 HydrophobicContact CD2-CD2 4.37Å; L155-F187 HydrophobicContact CD2-CE1 4.05Å; L155-F187 HydrophobicContact CD2-CE2 3.88Å; L155-F187 HydrophobicContact CD2-CZ 3.71Å; L155-F187 HydrophobicContact CG-CE2 4.49Å; L155-V197 HydrophobicContact CB-CG2 4.01Å; L155-V197 HydrophobicContact CD2-CG1 3.58Å; L155-V197 HydrophobicContact CD2-CG2 4.11Å; L155-V197 HydrophobicContact CG-CG1 4.03Å; L155-V197 HydrophobicContact CG-CG2 4.04Å
156S88.1Confident80.4Confident14 Ų1439.1 Ų39.110%0.09821%0.207CC..Hα-helixtrans-59.3-47.6176.3178.90000111.9G152 D153 L159 T160 A196G152-S156 WeakPolarHBondContact O-CB 3.49Å; G152-S156 PolarHBondContact O-N 2.85Å; D153-S156 PolarHBondContact O-N 2.9Å; S156-L159 PolarHBondContact O-N 3Å; S156-T160 VanDerWaalsContact O-CB 3.3Å; S156-T160 WeakPolarHBondContact O-CB 3.3Å; S156-T160 PolarHBondContact O-N 2.99Å; S156-T160 PolarHBondContact O-OG1 3.31Å; S156-A196 VanDerWaalsContact OG-CB 3.31Å; S156-A196 WeakPolarHBondContact OG-CB 3.36Å
157F91.6Very high81.8Confident54 Ų5433.9 Ų33.924%0.23718%0.18CC..Hα-helixtrans-65.5-39.2175.7-66.5-49.5000112.3L101 L104 K105 A108 D153 T160 A161L101-F157 HydrophobicContact CD1-CD2 3.98Å; L101-F157 HydrophobicContact CD1-CE2 4.11Å; L104-F157 HydrophobicContact CB-CB 3.92Å; K105-F157 HydrophobicContact CB-CD1 4.3Å; K105-F157 HydrophobicContact CB-CD2 4.09Å; K105-F157 HydrophobicContact CB-CE1 4.22Å; K105-F157 HydrophobicContact CB-CE2 4Å; K105-F157 HydrophobicContact CB-CG 4.26Å; K105-F157 HydrophobicContact CB-CZ 4.08Å; K105-F157 HydrophobicContact CD-CZ 4.12Å; K105-F157 HydrophobicContact CG-CD1 4.38Å; K105-F157 HydrophobicContact CG-CE1 3.9Å; K105-F157 HydrophobicContact CG-CE2 4.28Å; K105-F157 HydrophobicContact CG-CZ 3.86Å; A108-F157 HydrophobicContact CB-CB 4.48Å; A108-F157 HydrophobicContact CB-CD1 4.29Å; D153-F157 HydrophobicContact CB-CD2 4.43Å; D153-F157 HydrophobicContact CB-CE2 4.06Å; D153-F157 WeakPolarHBondContact O-CD2 3.4Å; D153-F157 WeakPolarHBondContact O-CG 3.35Å; D153-F157 PolarHBondContact O-N 3.06Å; F157-T160 PolarHBondContact O-N 2.62Å; F157-A161 WeakPolarHBondContact O-CB 3.41Å; F157-A161 PolarHBondContact O-N 3.12Å
158T93Very high83.2Confident2 Ų230.5 Ų30.51%0.01216%0.163CC..Hα-helixtrans-60.2-48.5175.6-560000111.1L129 M132 V133 L154 L155 F162L129-T158 HydrophobicContact CB-CG2 4.39Å; L129-T158 HydrophobicContact CD2-CG2 3.85Å; M132-T158 HydrophobicContact CB-CG2 4.45Å; V133-T158 HydrophobicContact CG2-CG2 3.95Å; L154-T158 WeakPolarHBondContact O-CB 3.36Å; L154-T158 PolarHBondContact O-N 2.82Å; L154-T158 PolarHBondContact O-OG1 3.1Å; L155-T158 WeakPolarHBondContact O-CB 3.12Å; L155-T158 PolarHBondContact O-N 3.05Å; T158-F162 WeakPolarHBondContact O-CB 3.41Å; T158-F162 PolarHBondContact O-N 3.3Å
159L92.3Very high84.5Confident0 Ų023.8 Ų23.80%014%0.142CC..Hα-helixtrans-69.8-35179.4-65.6177.9000111.8V133 L155 S156 F162 V163 I184 V197 R200 I204V133-L159 HydrophobicContact CG2-CD2 3.86Å; L155-L159 HydrophobicContact CD1-CD1 4.31Å; L155-L159 HydrophobicContact CD1-CD2 4.5Å; L155-L159 HydrophobicContact CD1-CG 4.12Å; L155-L159 HydrophobicContact CG-CD1 4.09Å; L155-L159 HydrophobicContact CG-CG 4.32Å; L155-L159 WeakPolarHBondContact O-CB 3.28Å; L155-L159 VanDerWaalsContact O-CG 3.29Å; L155-L159 WeakPolarHBondContact O-CG 3.43Å; L155-L159 PolarHBondContact O-N 3.37Å; S156-L159 PolarHBondContact O-N 3Å; L159-F162 PolarHBondContact O-N 2.97Å; L159-V163 WeakPolarHBondContact O-CB 3.33Å; L159-V163 VanDerWaalsContact O-CG2 3.28Å; L159-V163 WeakPolarHBondContact O-CG2 3.31Å; L159-V163 PolarHBondContact O-N 3.32Å; L159-I184 HydrophobicContact CD2-CD1 3.64Å; L159-V197 HydrophobicContact CD1-CG1 3.96Å; L159-R200 HydrophobicContact CB-CB 3.77Å; L159-R200 HydrophobicContact CB-CG 4.33Å; L159-R200 HydrophobicContact CD1-CB 4.22Å; L159-I204 HydrophobicContact CB-CD1 4.31Å; L159-I204 HydrophobicContact CD2-CD1 3.8Å
160T91.3Very high86Confident21 Ų2121.8 Ų21.813%0.12913%0.125CC..Hα-helixtrans-64-51.7174.5-59.70000110.4A108 S156 F157 F162 V163 E164 R200A108-T160 HydrophobicContact CB-CG2 4.08Å; S156-T160 VanDerWaalsContact O-CB 3.3Å; S156-T160 WeakPolarHBondContact O-CB 3.3Å; S156-T160 PolarHBondContact O-N 2.99Å; S156-T160 PolarHBondContact O-OG1 3.31Å; F157-T160 PolarHBondContact O-N 2.62Å; T160-F162 VanDerWaalsContact C-N 3.26Å; T160-F162 PolarHBondContact O-N 2.63Å; T160-V163 PolarHBondContact O-N 3.46Å; T160-E164 HydrophobicContact CG2-CG 4.28Å; T160-E164 WeakPolarHBondContact O-CB 3.38Å; T160-E164 WeakPolarHBondContact O-CG 3.37Å; T160-E164 PolarHBondContact O-N 3.44Å; T160-R200 PolarHBondContact OG1-NE 3.13Å; T160-R200 VanDerWaalsContact OG1-NE 3.13Å
161A93.8Very high87.1Confident0 Ų020.8 Ų20.80%012%0.117CC..Hα-helixtrans-55.1-43.5174.100000111.8L107 A108 L129 F157 E164 L165L107-A161 HydrophobicContact CD2-CB 3.84Å; L107-A161 HydrophobicContact CG-CB 3.79Å; A108-A161 HydrophobicContact CB-CB 4.35Å; L129-A161 HydrophobicContact CD1-CB 4.23Å; F157-A161 WeakPolarHBondContact O-CB 3.41Å; F157-A161 PolarHBondContact O-N 3.12Å; A161-E164 PolarHBondContact O-N 3.17Å; A161-L165 WeakPolarHBondContact O-CB 3.41Å; A161-L165 WeakPolarHBondContact O-CG 3.2Å; A161-L165 PolarHBondContact O-N 2.94Å
162F94.1Very high87.8Confident1 Ų122.1 Ų22.10%0.00413%0.131CC..Hα-helixtrans-60.6-50.8177.2178-91.6000112.5I126 L129 T130 T158 L159 T160 E164 L165 M166 W173 F176 F180 I204I126-F162 HydrophobicContact CD1-CD2 4.43Å; I126-F162 HydrophobicContact CG2-CE2 4.26Å; L129-F162 HydrophobicContact CD1-CB 4.25Å; T130-F162 HydrophobicContact CG2-CE2 3.95Å; T158-F162 WeakPolarHBondContact O-CB 3.41Å; T158-F162 PolarHBondContact O-N 3.3Å; L159-F162 PolarHBondContact O-N 2.97Å; T160-F162 VanDerWaalsContact C-N 3.26Å; T160-F162 PolarHBondContact O-N 2.63Å; F162-E164 VanDerWaalsContact C-N 3.34Å; F162-E164 PolarHBondContact O-N 3.22Å; F162-L165 PolarHBondContact O-N 3.24Å; F162-M166 HydrophobicContact CD1-CG 4.19Å; F162-M166 HydrophobicContact CD2-CG 4.43Å; F162-M166 HydrophobicContact CE1-CG 3.78Å; F162-M166 HydrophobicContact CE2-CG 4.06Å; F162-M166 HydrophobicContact CE2-SD 4.48Å; F162-M166 HydrophobicContact CZ-CG 3.72Å; F162-M166 HydrophobicContact CZ-SD 4.38Å; F162-M166 WeakPolarHBondContact O-CB 3.28Å; F162-M166 VanDerWaalsContact O-CG 3.27Å; F162-M166 WeakPolarHBondContact O-CG 3.35Å; F162-M166 PolarHBondContact O-N 3.49Å; F162-W173 HydrophobicContact CE1-CH2 4.31Å; F162-W173 HydrophobicContact CE1-CZ3 4.11Å; F162-W173 HydrophobicContact CZ-CZ3 4.47Å; F162-F176 HydrophobicContact CE2-CD1 4.41Å; F162-F176 AromaticContact CE2-CE1 3.54Å; F162-F176 HydrophobicContact CE2-CE1 3.54Å; F162-F176 HydrophobicContact CE2-CE2 4.44Å; F162-F176 AromaticContact CE2-CZ 3.58Å; F162-F176 HydrophobicContact CE2-CZ 3.58Å; F162-F176 HydrophobicContact CZ-CD1 4.34Å; F162-F176 HydrophobicContact CZ-CD2 4.48Å; F162-F176 AromaticContact CZ-CE1 3.68Å; F162-F176 HydrophobicContact CZ-CE1 3.68Å; F162-F176 AromaticContact CZ-CE2 3.84Å; F162-F176 HydrophobicContact CZ-CE2 3.84Å; F162-F176 AromaticContact CZ-CZ 3.41Å; F162-F176 HydrophobicContact CZ-CZ 3.41Å; F162-F176 VanDerWaalsContact CZ-CZ 3.41Å; F162-F180 HydrophobicContact CD1-CZ 4.36Å; F162-F180 HydrophobicContact CD2-CZ 4.34Å; F162-F180 HydrophobicContact CE1-CE1 4.04Å; F162-F180 AromaticContact CE1-CZ 3.92Å; F162-F180 HydrophobicContact CE1-CZ 3.92Å; F162-F180 HydrophobicContact CE2-CE1 4.18Å; F162-F180 AromaticContact CE2-CZ 3.88Å; F162-F180 HydrophobicContact CE2-CZ 3.88Å; F162-F180 AromaticContact CZ-CE1 3.63Å; F162-F180 HydrophobicContact CZ-CE1 3.63Å; F162-F180 AromaticContact CZ-CZ 3.65Å; F162-F180 HydrophobicContact CZ-CZ 3.65Å; F162-I204 HydrophobicContact CD1-CD1 3.83Å; F162-I204 HydrophobicContact CD1-CG1 4.13Å; F162-I204 HydrophobicContact CE1-CD1 4.26Å; F162-I204 HydrophobicContact CE1-CG1 4.27Å; F162-I204 HydrophobicContact CE1-CG2 4.16Å
163V89.8Confident88.3Confident21 Ų2122.4 Ų22.413%0.12713%0.129CC..Hα-helixtrans-56.7-51.7177.8168.20000109.8L159 T160 L165 M166 D167 I204L159-V163 WeakPolarHBondContact O-CB 3.33Å; L159-V163 VanDerWaalsContact O-CG2 3.28Å; L159-V163 WeakPolarHBondContact O-CG2 3.31Å; L159-V163 PolarHBondContact O-N 3.32Å; T160-V163 PolarHBondContact O-N 3.46Å; V163-L165 PolarHBondContact O-N 3.39Å; V163-M166 PolarHBondContact O-N 2.97Å; V163-M166 VanDerWaalsContact O-N 3.12Å; V163-D167 WeakPolarHBondContact CG1-OD2 3.37Å; V163-D167 PolarHBondContact O-N 3.05Å; V163-I204 HydrophobicContact CG2-CD1 3.83Å; V163-I204 HydrophobicContact CG2-CG1 3.38Å
164E90.1Very high88.4Confident15 Ų1523.1 Ų23.17%0.0713%0.132CC..Hα-helixtrans-54.9-56.1178.4-64.3-72.915200109.7R112 T160 A161 F162 M166 D167 R569R112-E164 WeakPolarHBondContact CG-OE2 3.27Å; T160-E164 HydrophobicContact CG2-CG 4.28Å; T160-E164 WeakPolarHBondContact O-CB 3.38Å; T160-E164 WeakPolarHBondContact O-CG 3.37Å; T160-E164 PolarHBondContact O-N 3.44Å; A161-E164 PolarHBondContact O-N 3.17Å; F162-E164 VanDerWaalsContact C-N 3.34Å; F162-E164 PolarHBondContact O-N 3.22Å; E164-M166 PolarHBondContact O-N 3.13Å; E164-M166 VanDerWaalsContact O-N 3.12Å; E164-D167 PolarHBondContact O-N 2.69Å; E164-D167 VanDerWaalsContact O-N 3.09Å; E164-R569 VanDerWaalsContact CB-NH2 3.33Å; E164-R569 PolarHBondContact O-NH2 3.39Å; E164-R569 WeakPolarHBondContact OE2-CD 3.22Å; E164-R569 IonicContact OE2-CZ 3.7Å; E164-R569 IonicContact OE2-NE 3.82Å; E164-R569 PolarHBondContact OE2-NE 3.05Å; E164-R569 IonicContact OE2-NH1 2.62Å; E164-R569 PolarHBondContact OE2-NH1 3.22Å; E164-R569 IonicContact OE2-NH2 3.66Å; E164-R569 PolarHBondContact OE2-NH2 2.85Å; E164-R569 VanDerWaalsContact OE2-NH2 3.16Å
165L91.9Very high88.3Confident0 Ų026.9 Ų26.90%016%0.156CC..Hα-helixtrans-55.6-37.8-179.9-66.9168.4000113.5A117 F120 I126 L129 A161 F162 V163A117-L165 HydrophobicContact CB-CD2 3.5Å; A117-L165 VanDerWaalsContact CB-CD2 3.5Å; F120-L165 HydrophobicContact CD1-CD1 3.67Å; F120-L165 HydrophobicContact CD1-CD2 4.37Å; F120-L165 HydrophobicContact CE1-CD1 3.94Å; I126-L165 HydrophobicContact CD1-CB 3.67Å; I126-L165 HydrophobicContact CD1-CD1 3.8Å; I126-L165 HydrophobicContact CD1-CG 4.38Å; L129-L165 HydrophobicContact CD1-CD1 3.66Å; A161-L165 WeakPolarHBondContact O-CB 3.41Å; A161-L165 WeakPolarHBondContact O-CG 3.2Å; A161-L165 PolarHBondContact O-N 2.94Å; F162-L165 PolarHBondContact O-N 3.24Å; V163-L165 PolarHBondContact O-N 3.39Å
166M88.2Confident88.2Confident2 Ų227 Ų271%0.0116%0.156CC..Hα-helixtrans-72.4-33179.6-71.1-52.6-58.200113.7I126 F162 V163 E164 H168 G169 V171 W173 F176I126-M166 HydrophobicContact CD1-SD 4.12Å; F162-M166 HydrophobicContact CD1-CG 4.19Å; F162-M166 HydrophobicContact CD2-CG 4.43Å; F162-M166 HydrophobicContact CE1-CG 3.78Å; F162-M166 HydrophobicContact CE2-CG 4.06Å; F162-M166 HydrophobicContact CE2-SD 4.48Å; F162-M166 HydrophobicContact CZ-CG 3.72Å; F162-M166 HydrophobicContact CZ-SD 4.38Å; F162-M166 WeakPolarHBondContact O-CB 3.28Å; F162-M166 VanDerWaalsContact O-CG 3.27Å; F162-M166 WeakPolarHBondContact O-CG 3.35Å; F162-M166 PolarHBondContact O-N 3.49Å; V163-M166 PolarHBondContact O-N 2.97Å; V163-M166 VanDerWaalsContact O-N 3.12Å; E164-M166 PolarHBondContact O-N 3.13Å; E164-M166 VanDerWaalsContact O-N 3.12Å; M166-H168 PolarHBondContact O-N 3.37Å; M166-G169 WeakPolarHBondContact O-CA 3.28Å; M166-G169 PolarHBondContact O-N 2.87Å; M166-V171 HydrophobicContact CE-CB 4.3Å; M166-V171 HydrophobicContact CE-CG1 4.49Å; M166-V171 WeakPolarHBondContact CE-O 3.39Å; M166-V171 HydrophobicContact SD-CB 4.15Å; M166-V171 HydrophobicContact SD-CG1 4.42Å; M166-W173 HydrophobicContact CB-CH2 3.97Å; M166-W173 HydrophobicContact CB-CZ2 3.65Å; M166-W173 HydrophobicContact CE-CD2 3.77Å; M166-W173 HydrophobicContact CE-CE3 4.22Å; M166-W173 HydrophobicContact CE-CG 4Å; M166-W173 HydrophobicContact CE-CZ2 4.29Å; M166-W173 HydrophobicContact CG-CH2 4.23Å; M166-W173 HydrophobicContact CG-CZ2 4.28Å; M166-F176 HydrophobicContact CE-CE2 3.55Å; M166-F176 HydrophobicContact CE-CZ 3.77Å; M166-F176 HydrophobicContact CG-CZ 4.32Å; M166-F176 HydrophobicContact SD-CE2 3.92Å; M166-F176 HydrophobicContact SD-CZ 3.49Å; M166-F176 WeakPolarHBondContact SD-CZ 3.09Å
167D83.3Confident88.1Confident25 Ų2528.7 Ų28.713%0.13417%0.168CC..Hα-helixtrans-68-23.2-180-64.7-24.5000112.9V163 E164 G169 R567 R568 R569V163-D167 WeakPolarHBondContact CG1-OD2 3.37Å; V163-D167 PolarHBondContact O-N 3.05Å; E164-D167 PolarHBondContact O-N 2.69Å; E164-D167 VanDerWaalsContact O-N 3.09Å; D167-G169 PolarHBondContact O-N 3.31Å; D167-G169 VanDerWaalsContact O-N 3.17Å; D167-R567 WeakPolarHBondContact O-CD 3.23Å; D167-R568 WeakPolarHBondContact CB-O 3.43Å; D167-R569 HydrophobicContact CB-CG 3.59Å; D167-R569 WeakPolarHBondContact OD2-CG 3.43Å; D167-R569 IonicContact OD2-NE 2.99Å; D167-R569 PolarHBondContact OD2-NE 3.46Å
168H85.6Confident87.9Confident23 Ų2329.2 Ų29.211%0.10618%0.175CC..THydrogen-bonded Turntrans-66.2-10169-68.7-57.6000112.9S111 R112 D113 I114 A117 M166 I170 R567 R569S111-H168 PolarHBondContact O-NE2 2.84Å; R112-H168 PolarHBondContact O-CE1 3.21Å; R112-H168 VanDerWaalsContact O-CE1 3.24Å; R112-H168 PolarHBondContact O-NE2 3.47Å; D113-H168 PolarHBondContact O-NE2 2.72Å; I114-H168 VanDerWaalsContact CA-CE1 3.46Å; I114-H168 WeakPolarHBondContact CA-CE1 3.46Å; I114-H168 HydrophobicContact CG1-CB 4.46Å; I114-H168 PolarHBondContact N-CE1 3.3Å; I114-H168 VanDerWaalsContact N-CE1 3.31Å; A117-H168 WeakPolarHBondContact CB-CD2 3.23Å; M166-H168 PolarHBondContact O-N 3.37Å; H168-I170 HydrophobicContact CB-CD1 3.83Å; H168-I170 HydrophobicContact CB-CG1 4.05Å; H168-I170 PolarHBondContact O-N 3.1Å; H168-R567 PolarHBondContact O-NH1 3.49Å; H168-R569 PolarHBondContact CD2-NH2 3.45Å; H168-R569 VanDerWaalsContact CD2-NH2 3.32Å; H168-R569 PolarHBondContact CE1-NH2 3.38Å; H168-R569 PolarHBondContact NE2-NH2 2.92Å
169G83.6Confident87.7Confident26 Ų2631.7 Ų31.727%0.26820%0.196SC..THydrogen-bonded Turntrans47.635.8176.400000114.4M166 D167 R567M166-G169 WeakPolarHBondContact O-CA 3.28Å; M166-G169 PolarHBondContact O-N 2.87Å; D167-G169 PolarHBondContact O-N 3.31Å; D167-G169 VanDerWaalsContact O-N 3.17Å; G169-R567 VanDerWaalsContact CA-CZ 3.44Å; G169-R567 VanDerWaalsContact CA-NH1 3.25Å; G169-R567 PolarHBondContact O-NH1 3.26Å; G169-R567 PolarHBondContact O-NH2 3.2Å; G169-R567 VanDerWaalsContact O-NH2 3.08Å
170I87.1Confident87.7Confident58 Ų5831.7 Ų31.730%0.29720%0.196SC..SBendtrans-76-36.2170.2-63.4163.2000109.2I114 A117 Q118 I121 H168I114-I170 HydrophobicContact CG1-CD1 4.26Å; A117-I170 HydrophobicContact CB-CD1 4.44Å; Q118-I170 HydrophobicContact CB-CD1 4.41Å; I121-I170 HydrophobicContact CD1-CB 3.89Å; I121-I170 HydrophobicContact CD1-CD1 3.74Å; I121-I170 HydrophobicContact CD1-CG1 4.41Å; I121-I170 HydrophobicContact CD1-CG2 3.98Å; I121-I170 HydrophobicContact CG2-CG2 4.31Å; H168-I170 HydrophobicContact CB-CD1 3.83Å; H168-I170 HydrophobicContact CB-CG1 4.05Å; H168-I170 PolarHBondContact O-N 3.1Å
171V86.1Confident87.7Confident28 Ų2830.7 Ų30.717%0.1719%0.19CC..SBendtrans-107.3138.2-178.8-177.60000109.8I121 I126 M166 T175I121-V171 HydrophobicContact CD1-CG2 4.13Å; I121-V171 HydrophobicContact CG1-CG2 4.34Å; I121-V171 HydrophobicContact CG2-CG2 3.66Å; I126-V171 HydrophobicContact CG1-CG2 4.39Å; M166-V171 HydrophobicContact CE-CB 4.3Å; M166-V171 HydrophobicContact CE-CG1 4.49Å; M166-V171 WeakPolarHBondContact CE-O 3.39Å; M166-V171 HydrophobicContact SD-CB 4.15Å; M166-V171 HydrophobicContact SD-CG1 4.42Å; V171-T175 HydrophobicContact CG1-CG2 4.49Å
172S86.4Confident87.6Confident62 Ų6235.7 Ų35.743%0.43421%0.212SC..  trans-72.6141.8173.5178.60000110.9D174 T175S172-D174 PolarHBondContact O-N 3.33Å; S172-D174 PolarHBondContact OG-N 2.89Å; S172-D174 PolarHBondContact OG-OD2 3.3Å; S172-T175 PolarHBondContact O-N 3.5Å; S172-T175 PolarHBondContact O-OG1 3.17Å
173W86.7Confident87.5Confident18 Ų1837.3 Ų37.37%0.06822%0.219CC..G310 helixtrans-65.1-19172.5-7290000113.4F162 M166 T175 F176 I204 M208 N211 L215F162-W173 HydrophobicContact CE1-CH2 4.31Å; F162-W173 HydrophobicContact CE1-CZ3 4.11Å; F162-W173 HydrophobicContact CZ-CZ3 4.47Å; M166-W173 HydrophobicContact CB-CH2 3.97Å; M166-W173 HydrophobicContact CB-CZ2 3.65Å; M166-W173 HydrophobicContact CE-CD2 3.77Å; M166-W173 HydrophobicContact CE-CE3 4.22Å; M166-W173 HydrophobicContact CE-CG 4Å; M166-W173 HydrophobicContact CE-CZ2 4.29Å; M166-W173 HydrophobicContact CG-CH2 4.23Å; M166-W173 HydrophobicContact CG-CZ2 4.28Å; W173-T175 PolarHBondContact O-N 2.98Å; W173-F176 HydrophobicContact CD2-CE2 4.39Å; W173-F176 HydrophobicContact CE3-CD2 4.07Å; W173-F176 AromaticContact CE3-CE2 3.84Å; W173-F176 HydrophobicContact CE3-CE2 3.84Å; W173-F176 HydrophobicContact CZ3-CE2 4.4Å; W173-F176 WeakPolarHBondContact O-CD2 3.2Å; W173-I204 HydrophobicContact CZ3-CG2 4.16Å; W173-M208 HydrophobicContact CE3-CB 4.46Å; W173-M208 HydrophobicContact CE3-CE 4.38Å; W173-M208 HydrophobicContact CE3-CG 3.52Å; W173-M208 HydrophobicContact CZ3-CE 4.13Å; W173-M208 HydrophobicContact CZ3-CG 3.61Å; W173-N211 HydrophobicContact CB-CB 4.3Å; W173-N211 HydrophobicContact CG-CB 3.99Å; W173-L215 HydrophobicContact CB-CD1 3.54Å; W173-L215 WeakPolarHBondContact O-CD1 3.42Å
174D82.3Confident87.7Confident90 Ų9036.3 Ų36.348%0.48121%0.213SC..G310 helixtrans-71.7-9.3-178.4-61.6-42.5000113.7S172 F176 S212S172-D174 PolarHBondContact O-N 3.33Å; S172-D174 PolarHBondContact OG-N 2.89Å; S172-D174 PolarHBondContact OG-OD2 3.3Å; D174-F176 VanDerWaalsContact C-N 3.25Å; D174-F176 PolarHBondContact O-N 3.32Å; D174-S212 WeakPolarHBondContact OD1-CB 3.48Å; D174-S212 PolarHBondContact OD1-OG 3.48Å
175T82.7Confident87.8Confident94 Ų9435.6 Ų35.658%0.57721%0.209SC*.G310 helixtrans-77.9-7.6-178.760.20000113.7V171 S172 W173V171-T175 HydrophobicContact CG1-CG2 4.49Å; S172-T175 PolarHBondContact O-N 3.5Å; S172-T175 PolarHBondContact O-OG1 3.17Å; W173-T175 PolarHBondContact O-N 2.98Å
176F83.8Confident87.8Confident13 Ų1337.2 Ų37.26%0.05722%0.22CC..  trans-84137.7-171.6-63.9-59.3000114.3I126 T130 F162 M166 W173 D174 F180 M208I126-F176 HydrophobicContact CG2-CE1 3.63Å; I126-F176 HydrophobicContact CG2-CZ 4Å; T130-F176 HydrophobicContact CG2-CD1 3.81Å; T130-F176 HydrophobicContact CG2-CE1 3.73Å; F162-F176 HydrophobicContact CE2-CD1 4.41Å; F162-F176 AromaticContact CE2-CE1 3.54Å; F162-F176 HydrophobicContact CE2-CE1 3.54Å; F162-F176 HydrophobicContact CE2-CE2 4.44Å; F162-F176 AromaticContact CE2-CZ 3.58Å; F162-F176 HydrophobicContact CE2-CZ 3.58Å; F162-F176 HydrophobicContact CZ-CD1 4.34Å; F162-F176 HydrophobicContact CZ-CD2 4.48Å; F162-F176 AromaticContact CZ-CE1 3.68Å; F162-F176 HydrophobicContact CZ-CE1 3.68Å; F162-F176 AromaticContact CZ-CE2 3.84Å; F162-F176 HydrophobicContact CZ-CE2 3.84Å; F162-F176 AromaticContact CZ-CZ 3.41Å; F162-F176 HydrophobicContact CZ-CZ 3.41Å; F162-F176 VanDerWaalsContact CZ-CZ 3.41Å; M166-F176 HydrophobicContact CE-CE2 3.55Å; M166-F176 HydrophobicContact CE-CZ 3.77Å; M166-F176 HydrophobicContact CG-CZ 4.32Å; M166-F176 HydrophobicContact SD-CE2 3.92Å; M166-F176 HydrophobicContact SD-CZ 3.49Å; M166-F176 WeakPolarHBondContact SD-CZ 3.09Å; W173-F176 HydrophobicContact CD2-CE2 4.39Å; W173-F176 HydrophobicContact CE3-CD2 4.07Å; W173-F176 AromaticContact CE3-CE2 3.84Å; W173-F176 HydrophobicContact CE3-CE2 3.84Å; W173-F176 HydrophobicContact CZ3-CE2 4.4Å; W173-F176 WeakPolarHBondContact O-CD2 3.2Å; D174-F176 VanDerWaalsContact C-N 3.25Å; D174-F176 PolarHBondContact O-N 3.32Å; F176-F180 HydrophobicContact CB-CD1 4.15Å; F176-F180 HydrophobicContact CD1-CD1 4.15Å; F176-F180 HydrophobicContact CD1-CE1 4.34Å; F176-F180 HydrophobicContact CG-CD1 4.18Å; F176-F180 HydrophobicContact CG-CE1 4.46Å; F176-M208 HydrophobicContact CD2-CE 4.48Å
177S86.2Confident87.8Confident50 Ų5037.2 Ų37.235%0.3522%0.22SC..  trans-67.6150.6179.194.60000110.9E134 A179 F180 I181E134-S177 PolarHBondContact OE1-OG 2.97Å; S177-A179 PolarHBondContact O-N 2.61Å; S177-A179 WeakPolarHBondContact OG-CB 3.07Å; S177-A179 PolarHBondContact OG-N 2.83Å; S177-A179 VanDerWaalsContact OG-N 3.15Å; S177-F180 PolarHBondContact O-N 3.34Å; S177-F180 PolarHBondContact OG-N 2.88Å; S177-I181 WeakPolarHBondContact O-CG1 3.48Å; S177-I181 PolarHBondContact O-N 3.12Å
178V87.6Confident88.2Confident64 Ų6436 Ų3639%0.38821%0.214SC..Hα-helixtrans-62-28.3170.7179.50000111I181 K182 K218V178-I181 PolarHBondContact O-N 3.09Å; V178-K182 HydrophobicContact CG1-CD 4.09Å; V178-K182 HydrophobicContact CG1-CG 4.36Å; V178-K182 VanDerWaalsContact O-CB 3.31Å; V178-K182 WeakPolarHBondContact O-CB 3.3Å; V178-K182 VanDerWaalsContact O-CG 3.28Å; V178-K182 WeakPolarHBondContact O-CG 3.49Å; V178-K182 PolarHBondContact O-N 2.65Å; V178-K218 HydrophobicContact CG2-CD 4.16Å
179A89.6Confident88.3Confident54 Ų5437.6 Ų37.645%0.44622%0.223SC..Hα-helixtrans-66.6-40.8177.200000111.7S177 K183S177-A179 PolarHBondContact O-N 2.61Å; S177-A179 WeakPolarHBondContact OG-CB 3.07Å; S177-A179 PolarHBondContact OG-N 2.83Å; S177-A179 VanDerWaalsContact OG-N 3.15Å; A179-K183 WeakPolarHBondContact O-CB 3.45Å; A179-K183 PolarHBondContact O-N 2.98Å
180F91.5Very high88.2Confident1 Ų140.2 Ų40.20%0.00423%0.227CC..Hα-helixtrans-62.8-48174.5-179.6-108.2000111.1T130 V133 E134 F162 F176 S177 K182 K183 I184 M208T130-F180 HydrophobicContact CG2-CD2 3.94Å; T130-F180 HydrophobicContact CG2-CE2 3.92Å; T130-F180 HydrophobicContact CG2-CG 4.26Å; T130-F180 HydrophobicContact CG2-CZ 4.23Å; V133-F180 HydrophobicContact CB-CD2 4.17Å; V133-F180 HydrophobicContact CB-CE2 3.8Å; V133-F180 HydrophobicContact CG1-CD2 4.03Å; V133-F180 HydrophobicContact CG1-CE2 3.76Å; V133-F180 HydrophobicContact CG2-CE2 4.07Å; E134-F180 HydrophobicContact CG-CB 4.32Å; E134-F180 HydrophobicContact CG-CD2 4.48Å; E134-F180 WeakPolarHBondContact OE1-CA 3.28Å; E134-F180 WeakPolarHBondContact OE1-CB 2.87Å; E134-F180 PolarHBondContact OE1-N 3.41Å; F162-F180 HydrophobicContact CD1-CZ 4.36Å; F162-F180 HydrophobicContact CD2-CZ 4.34Å; F162-F180 HydrophobicContact CE1-CE1 4.04Å; F162-F180 AromaticContact CE1-CZ 3.92Å; F162-F180 HydrophobicContact CE1-CZ 3.92Å; F162-F180 HydrophobicContact CE2-CE1 4.18Å; F162-F180 AromaticContact CE2-CZ 3.88Å; F162-F180 HydrophobicContact CE2-CZ 3.88Å; F162-F180 AromaticContact CZ-CE1 3.63Å; F162-F180 HydrophobicContact CZ-CE1 3.63Å; F162-F180 AromaticContact CZ-CZ 3.65Å; F162-F180 HydrophobicContact CZ-CZ 3.65Å; F176-F180 HydrophobicContact CB-CD1 4.15Å; F176-F180 HydrophobicContact CD1-CD1 4.15Å; F176-F180 HydrophobicContact CD1-CE1 4.34Å; F176-F180 HydrophobicContact CG-CD1 4.18Å; F176-F180 HydrophobicContact CG-CE1 4.46Å; S177-F180 PolarHBondContact O-N 3.34Å; S177-F180 PolarHBondContact OG-N 2.88Å; F180-K182 PolarHBondContact O-N 3.22Å; F180-K183 WeakPolarHBondContact O-CA 3.33Å; F180-K183 VanDerWaalsContact O-CB 3.26Å; F180-K183 WeakPolarHBondContact O-CB 3.33Å; F180-K183 PolarHBondContact O-N 2.93Å; F180-I184 HydrophobicContact CD1-CG1 4.37Å; F180-I184 HydrophobicContact CE1-CG1 4Å; F180-I184 HydrophobicContact CE2-CD1 4.06Å; F180-I184 HydrophobicContact CE2-CG1 4.19Å; F180-I184 HydrophobicContact CZ-CD1 3.92Å; F180-I184 HydrophobicContact CZ-CG1 3.9Å; F180-I184 WeakPolarHBondContact O-CG1 3.4Å; F180-I184 PolarHBondContact O-N 3.44Å; F180-M208 HydrophobicContact CD1-CE 3.76Å; F180-M208 HydrophobicContact CE1-CE 3.5Å
181I92.2Very high87.3Confident0 Ų044 Ų440%025%0.253CS..Hα-helixtrans-59.5-48.7178.6-61.2167.7000110.7S177 V178 K183 I184 A185 M208 L215 K218 V219S177-I181 WeakPolarHBondContact O-CG1 3.48Å; S177-I181 PolarHBondContact O-N 3.12Å; V178-I181 PolarHBondContact O-N 3.09Å; I181-K183 PolarHBondContact O-N 3.43Å; I181-I184 PolarHBondContact O-N 2.99Å; I181-A185 WeakPolarHBondContact O-CB 3.12Å; I181-A185 PolarHBondContact O-N 3.24Å; I181-M208 HydrophobicContact CG1-CE 4.22Å; I181-M208 HydrophobicContact CG1-SD 4.08Å; I181-L215 HydrophobicContact CD1-CD2 3.74Å; I181-K218 HydrophobicContact CD1-CB 4.07Å; I181-K218 HydrophobicContact CD1-CD 3.81Å; I181-V219 HydrophobicContact CG2-CG2 3.99Å
182K91.8Very high86.5Confident105 Ų10547.9 Ų47.946%0.45729%0.289SS..Hα-helixtrans-53.1-38.8173.1-83176.5172.6-179.10112V178 F180 S186 E222V178-K182 HydrophobicContact CG1-CD 4.09Å; V178-K182 HydrophobicContact CG1-CG 4.36Å; V178-K182 VanDerWaalsContact O-CB 3.31Å; V178-K182 WeakPolarHBondContact O-CB 3.3Å; V178-K182 VanDerWaalsContact O-CG 3.28Å; V178-K182 WeakPolarHBondContact O-CG 3.49Å; V178-K182 PolarHBondContact O-N 2.65Å; F180-K182 PolarHBondContact O-N 3.22Å; K182-S186 WeakPolarHBondContact O-CB 3.33Å; K182-S186 PolarHBondContact O-N 3.41Å; K182-E222 WeakPolarHBondContact CE-OE1 3.34Å; K182-E222 HydrophobicContact CG-CG 3.99Å; K182-E222 WeakPolarHBondContact CG-OE1 3.21Å; K182-E222 WeakPolarHBondContact CG-OE2 3.5Å; K182-E222 IonicContact NZ-OE1 2.75Å
183K91.3Very high86.2Confident35 Ų3547.1 Ų47.115%0.15228%0.279CS..Hα-helixtrans-69.6-47.9-178.8-160.668.2172.3-155.70112.5V133 E134 T137 A179 F180 I181 A185 S186 F187V133-K183 HydrophobicContact CG1-CB 4.31Å; V133-K183 HydrophobicContact CG1-CG 3.92Å; V133-K183 WeakPolarHBondContact O-CE 3.29Å; E134-K183 PolarHBondContact O-NZ 3.18Å; T137-K183 WeakPolarHBondContact OG1-CE 3.26Å; T137-K183 PolarHBondContact OG1-NZ 3.38Å; A179-K183 WeakPolarHBondContact O-CB 3.45Å; A179-K183 PolarHBondContact O-N 2.98Å; F180-K183 WeakPolarHBondContact O-CA 3.33Å; F180-K183 VanDerWaalsContact O-CB 3.26Å; F180-K183 WeakPolarHBondContact O-CB 3.33Å; F180-K183 PolarHBondContact O-N 2.93Å; I181-K183 PolarHBondContact O-N 3.43Å; K183-A185 VanDerWaalsContact C-N 3.35Å; K183-S186 WeakPolarHBondContact O-CB 3.13Å; K183-S186 PolarHBondContact O-N 3.42Å; K183-S186 VanDerWaalsContact O-N 3.14Å; K183-S186 PolarHBondContact O-OG 3.33Å; K183-F187 HydrophobicContact CG-CE1 4.42Å; K183-F187 HydrophobicContact CG-CE2 4.35Å; K183-F187 HydrophobicContact CG-CZ 3.89Å; K183-F187 PolarHBondContact O-N 2.92Å
184I93.1Very high86.1Confident0 Ų049.3 Ų49.30%029%0.292CS..Hα-helixtrans-60.7-46175.7-60-60.2000110.3V133 L159 F180 I181 S186 F187 V188 I204 L205V133-I184 HydrophobicContact CG1-CD1 3.87Å; L159-I184 HydrophobicContact CD2-CD1 3.64Å; F180-I184 HydrophobicContact CD1-CG1 4.37Å; F180-I184 HydrophobicContact CE1-CG1 4Å; F180-I184 HydrophobicContact CE2-CD1 4.06Å; F180-I184 HydrophobicContact CE2-CG1 4.19Å; F180-I184 HydrophobicContact CZ-CD1 3.92Å; F180-I184 HydrophobicContact CZ-CG1 3.9Å; F180-I184 WeakPolarHBondContact O-CG1 3.4Å; F180-I184 PolarHBondContact O-N 3.44Å; I181-I184 PolarHBondContact O-N 2.99Å; I184-S186 VanDerWaalsContact C-N 3.26Å; I184-S186 PolarHBondContact O-N 3.05Å; I184-F187 HydrophobicContact CD1-CD2 4.24Å; I184-F187 HydrophobicContact CD1-CE2 4.16Å; I184-F187 WeakPolarHBondContact O-CB 3.49Å; I184-F187 PolarHBondContact O-N 2.99Å; I184-V188 PolarHBondContact O-N 3.27Å; I184-I204 HydrophobicContact CD1-CD1 4.33Å; I184-I204 HydrophobicContact CG1-CG2 4.44Å; I184-I204 HydrophobicContact CG2-CB 4.39Å; I184-I204 HydrophobicContact CG2-CG2 4.23Å; I184-L205 HydrophobicContact CB-CD2 4.46Å; I184-L205 HydrophobicContact CG2-CD1 4.03Å; I184-L205 HydrophobicContact CG2-CD2 3.99Å; I184-L205 HydrophobicContact CG2-CG 3.71Å
185A92.7Very high86.3Confident0 Ų048.2 Ų48.20%029%0.289CS..Hα-helixtrans-58.5-37.7174.600000112.3I181 K183 F187 V188 N189 E222 I223I181-A185 WeakPolarHBondContact O-CB 3.12Å; I181-A185 PolarHBondContact O-N 3.24Å; K183-A185 VanDerWaalsContact C-N 3.35Å; A185-F187 PolarHBondContact O-N 3.43Å; A185-V188 PolarHBondContact O-N 3.12Å; A185-V188 VanDerWaalsContact O-N 3.15Å; A185-N189 WeakPolarHBondContact O-CB 3.3Å; A185-N189 PolarHBondContact O-N 3.33Å; A185-N189 PolarHBondContact O-ND2 3.11Å; A185-E222 HydrophobicContact CB-CB 3.65Å; A185-I223 HydrophobicContact CB-CD1 3.91Å; A185-I223 HydrophobicContact CB-CG1 3.71Å
186S91.1Very high86.5Confident33 Ų3345.1 Ų45.123%0.23127%0.272CS..Hα-helixtrans-62.9-25.8175.686.20000113.7K182 K183 I184 K190K182-S186 WeakPolarHBondContact O-CB 3.33Å; K182-S186 PolarHBondContact O-N 3.41Å; K183-S186 WeakPolarHBondContact O-CB 3.13Å; K183-S186 PolarHBondContact O-N 3.42Å; K183-S186 VanDerWaalsContact O-N 3.14Å; K183-S186 PolarHBondContact O-OG 3.33Å; I184-S186 VanDerWaalsContact C-N 3.26Å; I184-S186 PolarHBondContact O-N 3.05Å; S186-K190 WeakPolarHBondContact O-CD 3.32Å; S186-K190 VanDerWaalsContact O-CG 3.32Å; S186-K190 WeakPolarHBondContact O-CG 3.24Å; S186-K190 PolarHBondContact O-N 3.23Å
187F89.9Confident86.8Confident2 Ų244.6 Ų44.61%0.00927%0.27CS..Hα-helixtrans-74.5-36.6175.5-58.2-34.5000111.7V133 T137 L155 K183 I184 A185 M193 V197V133-F187 HydrophobicContact CG1-CE2 3.83Å; V133-F187 HydrophobicContact CG1-CZ 4.16Å; T137-F187 HydrophobicContact CG2-CE1 4.36Å; L155-F187 HydrophobicContact CD1-CE2 4.15Å; L155-F187 HydrophobicContact CD1-CZ 4.24Å; L155-F187 HydrophobicContact CD2-CD2 4.37Å; L155-F187 HydrophobicContact CD2-CE1 4.05Å; L155-F187 HydrophobicContact CD2-CE2 3.88Å; L155-F187 HydrophobicContact CD2-CZ 3.71Å; L155-F187 HydrophobicContact CG-CE2 4.49Å; K183-F187 HydrophobicContact CG-CE1 4.42Å; K183-F187 HydrophobicContact CG-CE2 4.35Å; K183-F187 HydrophobicContact CG-CZ 3.89Å; K183-F187 PolarHBondContact O-N 2.92Å; I184-F187 HydrophobicContact CD1-CD2 4.24Å; I184-F187 HydrophobicContact CD1-CE2 4.16Å; I184-F187 WeakPolarHBondContact O-CB 3.49Å; I184-F187 PolarHBondContact O-N 2.99Å; A185-F187 PolarHBondContact O-N 3.43Å; F187-M193 HydrophobicContact CB-CE 4.19Å; F187-M193 HydrophobicContact CD1-CE 4.07Å; F187-V197 HydrophobicContact CB-CG1 4.42Å; F187-V197 HydrophobicContact CD2-CG1 4.4Å; F187-V197 HydrophobicContact CG-CG1 4.4Å
188V91.2Very high87Confident1 Ų142.8 Ų42.81%0.00626%0.257CS..Hα-helixtrans-69.5-35.6173-178.90000111.6I184 A185 K190 L198 L202 L205 L228 H231I184-V188 PolarHBondContact O-N 3.27Å; A185-V188 PolarHBondContact O-N 3.12Å; A185-V188 VanDerWaalsContact O-N 3.15Å; V188-K190 VanDerWaalsContact C-N 3.29Å; V188-K190 PolarHBondContact O-N 2.8Å; V188-L198 HydrophobicContact CB-CD1 4.34Å; V188-L198 HydrophobicContact CG1-CD1 4.41Å; V188-L198 HydrophobicContact CG2-CD1 4.18Å; V188-L202 HydrophobicContact CG1-CD2 3.84Å; V188-L202 HydrophobicContact CG2-CD2 3.97Å; V188-L202 HydrophobicContact CG2-CG 4.26Å; V188-L205 HydrophobicContact CB-CD1 4.45Å; V188-L205 HydrophobicContact CG2-CD1 3.49Å; V188-L205 VanDerWaalsContact CG2-CD1 3.49Å; V188-L228 HydrophobicContact CG1-CD2 3.7Å; V188-H231 PolarHBondContact O-CE1 3.11Å; V188-H231 VanDerWaalsContact O-CE1 3.29Å; V188-H231 PolarHBondContact O-NE2 3.4Å
189N86.6Confident87.2Confident55 Ų5541.3 Ų41.329%0.29425%0.245SC..THydrogen-bonded Turntrans-78.2-6.8-176.6-68.6-21000114.4A185 E222 Q227A185-N189 WeakPolarHBondContact O-CB 3.3Å; A185-N189 PolarHBondContact O-N 3.33Å; A185-N189 PolarHBondContact O-ND2 3.11Å; N189-E222 PolarHBondContact ND2-O 3.14Å; N189-Q227 VanDerWaalsContact CG-NE2 3.28Å; N189-Q227 PolarHBondContact ND2-NE2 3.47Å; N189-Q227 WeakPolarHBondContact OD1-CB 3.49Å; N189-Q227 PolarHBondContact OD1-NE2 2.99Å; N189-Q227 PolarHBondContact OD1-OE1 3.34Å
190K82.2Confident87.2Confident81 Ų8141.8 Ų41.835%0.35224%0.236SC..SBendtrans-90.8130.6-178.5-83.3170-178.8172.10112S186 V188 M193S186-K190 WeakPolarHBondContact O-CD 3.32Å; S186-K190 VanDerWaalsContact O-CG 3.32Å; S186-K190 WeakPolarHBondContact O-CG 3.24Å; S186-K190 PolarHBondContact O-N 3.23Å; V188-K190 VanDerWaalsContact C-N 3.29Å; V188-K190 PolarHBondContact O-N 2.8Å; K190-M193 HydrophobicContact CB-CE 3.77Å; K190-M193 HydrophobicContact CD-CE 3.45Å; K190-M193 VanDerWaalsContact CD-CE 3.45Å; K190-M193 HydrophobicContact CG-CE 4.26Å
191T67.6Low87.4Confident138 Ų13841.7 Ų41.785%0.84724%0.235SC*.THydrogen-bonded Turntrans-69.9127.8168.653.50000110
192A70.6Confident87.5Confident110 Ų11041.7 Ų41.791%0.90924%0.235SC*.THydrogen-bonded Turntrans68.650.2-17800000115.4
193M79.8Confident87.4Confident46 Ų4637.3 Ų37.323%0.22722%0.218CC..  trans-75.9154.6162.5-167.356.260.300110.6F187 K190 V197 L198F187-M193 HydrophobicContact CB-CE 4.19Å; F187-M193 HydrophobicContact CD1-CE 4.07Å; K190-M193 HydrophobicContact CB-CE 3.77Å; K190-M193 HydrophobicContact CD-CE 3.45Å; K190-M193 VanDerWaalsContact CD-CE 3.45Å; K190-M193 HydrophobicContact CG-CE 4.26Å; M193-V197 HydrophobicContact CG-CB 4.11Å; M193-V197 HydrophobicContact CG-CG1 3.9Å; M193-V197 HydrophobicContact SD-CB 4.37Å; M193-V197 HydrophobicContact SD-CG1 3.88Å; M193-L198 HydrophobicContact CB-CB 4.42Å; M193-L198 HydrophobicContact CG-CB 4.37Å
194D84.6Confident87.5Confident63 Ų6335.7 Ų35.734%0.33721%0.211SC..  trans-58.4138.2167.7175.4-96.5000110.8A196 V197 L198D194-A196 PolarHBondContact O-N 3.45Å; D194-A196 WeakPolarHBondContact OD1-CB 3.38Å; D194-A196 PolarHBondContact OD1-N 3.39Å; D194-V197 HydrophobicContact CB-CB 4.17Å; D194-V197 HydrophobicContact CB-CG2 4.02Å; D194-V197 PolarHBondContact O-N 3.41Å; D194-V197 PolarHBondContact OD1-N 3.15Å; D194-V197 VanDerWaalsContact OD1-N 3.1Å; D194-L198 WeakPolarHBondContact O-CB 3.45Å; D194-L198 PolarHBondContact O-N 3.33Å
195T86.4Confident87.6Confident68 Ų6835.7 Ų35.742%0.41721%0.211SC..Hα-helixtrans-61.8-42.9-173.8-54.10000111.6L198 Q199 D236 I239T195-L198 PolarHBondContact O-N 3.46Å; T195-Q199 VanDerWaalsContact O-CB 3.3Å; T195-Q199 WeakPolarHBondContact O-CB 3.12Å; T195-Q199 PolarHBondContact O-N 3.3Å; T195-D236 VanDerWaalsContact CG2-OD2 3.32Å; T195-D236 WeakPolarHBondContact CG2-OD2 3.44Å; T195-I239 HydrophobicContact CG2-CD1 3.81Å; T195-I239 HydrophobicContact CG2-CG1 3.75Å
196A87.3Confident87.7Confident29 Ų2936.1 Ų36.124%0.2421%0.214CC..Hα-helixtrans-68.1-41.3-178.700000111.2S156 D194 L198 Q199 R200S156-A196 VanDerWaalsContact OG-CB 3.31Å; S156-A196 WeakPolarHBondContact OG-CB 3.36Å; D194-A196 PolarHBondContact O-N 3.45Å; D194-A196 WeakPolarHBondContact OD1-CB 3.38Å; D194-A196 PolarHBondContact OD1-N 3.39Å; A196-L198 PolarHBondContact O-N 2.99Å; A196-Q199 PolarHBondContact O-N 2.93Å; A196-R200 VanDerWaalsContact O-CG 3.3Å; A196-R200 WeakPolarHBondContact O-CG 3.39Å; A196-R200 PolarHBondContact O-N 3.4Å
197V89.5Confident87.6Confident1 Ų135 Ų351%0.00621%0.205CC..Hα-helixtrans-61-45.4174174.80000111.3L155 L159 F187 M193 D194 S201L155-V197 HydrophobicContact CB-CG2 4.01Å; L155-V197 HydrophobicContact CD2-CG1 3.58Å; L155-V197 HydrophobicContact CD2-CG2 4.11Å; L155-V197 HydrophobicContact CG-CG1 4.03Å; L155-V197 HydrophobicContact CG-CG2 4.04Å; L159-V197 HydrophobicContact CD1-CG1 3.96Å; F187-V197 HydrophobicContact CB-CG1 4.42Å; F187-V197 HydrophobicContact CD2-CG1 4.4Å; F187-V197 HydrophobicContact CG-CG1 4.4Å; M193-V197 HydrophobicContact CG-CB 4.11Å; M193-V197 HydrophobicContact CG-CG1 3.9Å; M193-V197 HydrophobicContact SD-CB 4.37Å; M193-V197 HydrophobicContact SD-CG1 3.88Å; D194-V197 HydrophobicContact CB-CB 4.17Å; D194-V197 HydrophobicContact CB-CG2 4.02Å; D194-V197 PolarHBondContact O-N 3.41Å; D194-V197 PolarHBondContact OD1-N 3.15Å; D194-V197 VanDerWaalsContact OD1-N 3.1Å; V197-S201 VanDerWaalsContact O-CB 3.28Å; V197-S201 WeakPolarHBondContact O-CB 3.46Å; V197-S201 PolarHBondContact O-N 2.97Å; V197-S201 PolarHBondContact O-OG 3.26Å
198L91.2Very high87.7Confident13 Ų1334.9 Ų34.97%0.06821%0.205CC..Hα-helixtrans-62.9-47.4179.2179.960.7000111.1V188 M193 D194 T195 A196 R200 S201 L202 I239V188-L198 HydrophobicContact CB-CD1 4.34Å; V188-L198 HydrophobicContact CG1-CD1 4.41Å; V188-L198 HydrophobicContact CG2-CD1 4.18Å; M193-L198 HydrophobicContact CB-CB 4.42Å; M193-L198 HydrophobicContact CG-CB 4.37Å; D194-L198 WeakPolarHBondContact O-CB 3.45Å; D194-L198 PolarHBondContact O-N 3.33Å; T195-L198 PolarHBondContact O-N 3.46Å; A196-L198 PolarHBondContact O-N 2.99Å; L198-R200 PolarHBondContact O-N 3.17Å; L198-S201 PolarHBondContact O-N 2.91Å; L198-L202 HydrophobicContact CD1-CD1 4.28Å; L198-L202 HydrophobicContact CD1-CG 4.33Å; L198-L202 HydrophobicContact CG-CD1 4.13Å; L198-L202 WeakPolarHBondContact O-CG 3.39Å; L198-L202 PolarHBondContact O-N 2.94Å; L198-I239 HydrophobicContact CB-CD1 4.2Å; L198-I239 HydrophobicContact CD2-CD1 4.04Å; L198-I239 HydrophobicContact CD2-CG1 4.49Å; L198-I239 HydrophobicContact CD2-CG2 3.87Å; L198-I239 HydrophobicContact CG-CD1 4.04Å
199Q90.6Very high87.7Confident32 Ų3234.8 Ų34.815%0.1521%0.205CC..Hα-helixtrans-56.6-51.3178-170.2-170.15.700111.5T195 A196 S201 L202 A203 I239 Y242T195-Q199 VanDerWaalsContact O-CB 3.3Å; T195-Q199 WeakPolarHBondContact O-CB 3.12Å; T195-Q199 PolarHBondContact O-N 3.3Å; A196-Q199 PolarHBondContact O-N 2.93Å; Q199-S201 VanDerWaalsContact C-N 3.32Å; Q199-S201 PolarHBondContact O-N 3.01Å; Q199-L202 PolarHBondContact O-N 3.41Å; Q199-A203 PolarHBondContact O-N 3.46Å; Q199-I239 HydrophobicContact CB-CD1 3.85Å; Q199-Y242 HydrophobicContact CG-CD2 3.51Å; Q199-Y242 HydrophobicContact CG-CE2 3.45Å; Q199-Y242 VanDerWaalsContact CG-CE2 3.45Å; Q199-Y242 HydrophobicContact CG-CG 4.28Å; Q199-Y242 VanDerWaalsContact NE2-CE2 3.27Å
200R90.6Very high87.8Confident64 Ų6434 Ų3424%0.24220%0.2CC..Hα-helixtrans-64.3-37.8178.1-62.3-64.7176.1-83.21.7111.8L159 T160 A196 L198 A203 I204L159-R200 HydrophobicContact CB-CB 3.77Å; L159-R200 HydrophobicContact CB-CG 4.33Å; L159-R200 HydrophobicContact CD1-CB 4.22Å; T160-R200 PolarHBondContact OG1-NE 3.13Å; T160-R200 VanDerWaalsContact OG1-NE 3.13Å; A196-R200 VanDerWaalsContact O-CG 3.3Å; A196-R200 WeakPolarHBondContact O-CG 3.39Å; A196-R200 PolarHBondContact O-N 3.4Å; L198-R200 PolarHBondContact O-N 3.17Å; R200-A203 PolarHBondContact O-N 3.04Å; R200-I204 WeakPolarHBondContact O-CD1 3.39Å; R200-I204 WeakPolarHBondContact O-CG1 3.39Å; R200-I204 PolarHBondContact O-N 3.48Å
201S94.2Very high88Confident0 Ų034.9 Ų34.90%021%0.209CC..Hα-helixtrans-63.1-44.7177.8-60.10000111.8V197 L198 Q199 I204 L205V197-S201 VanDerWaalsContact O-CB 3.28Å; V197-S201 WeakPolarHBondContact O-CB 3.46Å; V197-S201 PolarHBondContact O-N 2.97Å; V197-S201 PolarHBondContact O-OG 3.26Å; L198-S201 PolarHBondContact O-N 2.91Å; Q199-S201 VanDerWaalsContact C-N 3.32Å; Q199-S201 PolarHBondContact O-N 3.01Å; S201-I204 PolarHBondContact O-N 2.91Å; S201-L205 WeakPolarHBondContact O-CD1 3.4Å; S201-L205 VanDerWaalsContact O-CG 3.26Å; S201-L205 WeakPolarHBondContact O-CG 3.48Å; S201-L205 PolarHBondContact O-N 2.96Å
202L94.4Very high88.9Confident0 Ų029 Ų290%017%0.173CC..Hα-helixtrans-61.3-46.4175.2-69.6166.6000111.2V188 L198 Q199 I204 L205 E206 L228 I239 V246V188-L202 HydrophobicContact CG1-CD2 3.84Å; V188-L202 HydrophobicContact CG2-CD2 3.97Å; V188-L202 HydrophobicContact CG2-CG 4.26Å; L198-L202 HydrophobicContact CD1-CD1 4.28Å; L198-L202 HydrophobicContact CD1-CG 4.33Å; L198-L202 HydrophobicContact CG-CD1 4.13Å; L198-L202 WeakPolarHBondContact O-CG 3.39Å; L198-L202 PolarHBondContact O-N 2.94Å; Q199-L202 PolarHBondContact O-N 3.41Å; L202-I204 VanDerWaalsContact C-N 3.33Å; L202-I204 PolarHBondContact O-N 3.42Å; L202-L205 PolarHBondContact O-N 3.23Å; L202-E206 WeakPolarHBondContact O-CB 3.45Å; L202-E206 PolarHBondContact O-N 3.45Å; L202-L228 HydrophobicContact CD2-CD2 4.19Å; L202-I239 HydrophobicContact CD1-CG2 4.47Å; L202-V246 HydrophobicContact CB-CG2 4.13Å; L202-V246 HydrophobicContact CD2-CG2 4.05Å; L202-V246 VanDerWaalsContact O-CG2 3.28Å; L202-V246 WeakPolarHBondContact O-CG2 3.36Å
203A91.3Very high89.7Confident12 Ų1227.7 Ų27.710%0.09915%0.148CC..Hα-helixtrans-59.7-40.4177.800000113.1Q199 R200 S207 Y242Q199-A203 PolarHBondContact O-N 3.46Å; R200-A203 PolarHBondContact O-N 3.04Å; A203-S207 WeakPolarHBondContact O-CB 3.49Å; A203-S207 PolarHBondContact O-N 3.28Å; A203-S207 PolarHBondContact O-OG 2.87Å; A203-Y242 HydrophobicContact CB-CD1 3.85Å; A203-Y242 HydrophobicContact CB-CE1 3.6Å
204I93.2Very high90.1Very high1 Ų129.4 Ų29.41%0.00516%0.158CC..Hα-helixtrans-63.7-48175.9-70.8165.2000110.4L159 F162 V163 W173 I184 R200 S201 L202 E206 S207 M208L159-I204 HydrophobicContact CB-CD1 4.31Å; L159-I204 HydrophobicContact CD2-CD1 3.8Å; F162-I204 HydrophobicContact CD1-CD1 3.83Å; F162-I204 HydrophobicContact CD1-CG1 4.13Å; F162-I204 HydrophobicContact CE1-CD1 4.26Å; F162-I204 HydrophobicContact CE1-CG1 4.27Å; F162-I204 HydrophobicContact CE1-CG2 4.16Å; V163-I204 HydrophobicContact CG2-CD1 3.83Å; V163-I204 HydrophobicContact CG2-CG1 3.38Å; W173-I204 HydrophobicContact CZ3-CG2 4.16Å; I184-I204 HydrophobicContact CD1-CD1 4.33Å; I184-I204 HydrophobicContact CG1-CG2 4.44Å; I184-I204 HydrophobicContact CG2-CB 4.39Å; I184-I204 HydrophobicContact CG2-CG2 4.23Å; R200-I204 WeakPolarHBondContact O-CD1 3.39Å; R200-I204 WeakPolarHBondContact O-CG1 3.39Å; R200-I204 PolarHBondContact O-N 3.48Å; S201-I204 PolarHBondContact O-N 2.91Å; L202-I204 VanDerWaalsContact C-N 3.33Å; L202-I204 PolarHBondContact O-N 3.42Å; I204-E206 PolarHBondContact O-N 3.45Å; I204-S207 PolarHBondContact O-N 3.37Å; I204-M208 HydrophobicContact CG2-CE 3.53Å; I204-M208 HydrophobicContact CG2-CG 4.4Å; I204-M208 HydrophobicContact CG2-SD 4.04Å; I204-M208 VanDerWaalsContact O-CG 3.29Å; I204-M208 WeakPolarHBondContact O-CG 3.39Å; I204-M208 PolarHBondContact O-N 3.45Å
205L94.5Very high90.5Very high0 Ų026.4 Ų26.40%014%0.142CC..Hα-helixtrans-64-42.4-178.6-69.8160.3000111.8I184 V188 S201 L202 S207 M208 V209 V219 I223I184-L205 HydrophobicContact CB-CD2 4.46Å; I184-L205 HydrophobicContact CG2-CD1 4.03Å; I184-L205 HydrophobicContact CG2-CD2 3.99Å; I184-L205 HydrophobicContact CG2-CG 3.71Å; V188-L205 HydrophobicContact CB-CD1 4.45Å; V188-L205 HydrophobicContact CG2-CD1 3.49Å; V188-L205 VanDerWaalsContact CG2-CD1 3.49Å; S201-L205 WeakPolarHBondContact O-CD1 3.4Å; S201-L205 VanDerWaalsContact O-CG 3.26Å; S201-L205 WeakPolarHBondContact O-CG 3.48Å; S201-L205 PolarHBondContact O-N 2.96Å; L202-L205 PolarHBondContact O-N 3.23Å; L205-S207 VanDerWaalsContact C-N 3.34Å; L205-M208 WeakPolarHBondContact O-CB 3.35Å; L205-M208 PolarHBondContact O-N 3.47Å; L205-V209 VanDerWaalsContact O-CG2 3.29Å; L205-V209 WeakPolarHBondContact O-CG2 3.45Å; L205-V209 PolarHBondContact O-N 3.37Å; L205-V219 HydrophobicContact CB-CG1 4.5Å; L205-V219 HydrophobicContact CD2-CG1 4.03Å; L205-V219 HydrophobicContact CD2-CG2 4.04Å; L205-I223 HydrophobicContact CD1-CD1 3.27Å; L205-I223 HydrophobicContact CD2-CD1 3.91Å; L205-I223 HydrophobicContact CG-CD1 4.13Å
206E94.2Very high90.8Very high10 Ų1023.4 Ų23.45%0.04712%0.123CC..Hα-helixtrans-58.5-48.2174.2-165.4-168.4175.500111.3L202 I204 M208 V209 L210 A245 V246 A249 R568L202-E206 WeakPolarHBondContact O-CB 3.45Å; L202-E206 PolarHBondContact O-N 3.45Å; I204-E206 PolarHBondContact O-N 3.45Å; E206-M208 PolarHBondContact O-N 3.32Å; E206-V209 PolarHBondContact O-N 2.94Å; E206-L210 HydrophobicContact CG-CD1 4.13Å; E206-L210 WeakPolarHBondContact O-CG 3.29Å; E206-L210 PolarHBondContact O-N 2.87Å; E206-A245 VanDerWaalsContact CD-CB 3.42Å; E206-A245 HydrophobicContact CG-CB 4.49Å; E206-A245 WeakPolarHBondContact OE1-CB 3.43Å; E206-V246 HydrophobicContact CB-CG2 3.82Å; E206-V246 HydrophobicContact CG-CG2 4.42Å; E206-A249 HydrophobicContact CG-CB 3.71Å; E206-R568 VanDerWaalsContact CD-NH2 3.28Å; E206-R568 IonicContact OE1-CZ 2.93Å; E206-R568 VanDerWaalsContact OE1-CZ 3.32Å; E206-R568 IonicContact OE1-NH1 2.74Å; E206-R568 PolarHBondContact OE1-NH1 3.01Å; E206-R568 IonicContact OE1-NH2 3.16Å; E206-R568 PolarHBondContact OE1-NH2 3.14Å; E206-R568 IonicContact OE2-CZ 2.72Å; E206-R568 IonicContact OE2-NH1 2.98Å; E206-R568 PolarHBondContact OE2-NH1 3.2Å; E206-R568 IonicContact OE2-NH2 3.46Å
207S90.6Very high91Very high8 Ų825.2 Ų25.26%0.05613%0.127CC..Hα-helixtrans-64-40.1179.3-58.60000111.8A203 I204 L205 V209 L210 N211A203-S207 WeakPolarHBondContact O-CB 3.49Å; A203-S207 PolarHBondContact O-N 3.28Å; A203-S207 PolarHBondContact O-OG 2.87Å; I204-S207 PolarHBondContact O-N 3.37Å; L205-S207 VanDerWaalsContact C-N 3.34Å; S207-V209 PolarHBondContact O-N 2.86Å; S207-L210 PolarHBondContact O-N 3.13Å; S207-N211 WeakPolarHBondContact O-CB 3.31Å; S207-N211 PolarHBondContact O-N 3.36Å; S207-N211 PolarHBondContact O-ND2 2.93Å
208M90.6Very high91.2Very high0 Ų027.3 Ų27.30%014%0.136CC..Hα-helixtrans-57.3-48.7172.7-74.8174.4174.400111.6W173 F176 F180 I181 I204 L205 E206 L210 N211 S212 L215 V219W173-M208 HydrophobicContact CE3-CB 4.46Å; W173-M208 HydrophobicContact CE3-CE 4.38Å; W173-M208 HydrophobicContact CE3-CG 3.52Å; W173-M208 HydrophobicContact CZ3-CE 4.13Å; W173-M208 HydrophobicContact CZ3-CG 3.61Å; F176-M208 HydrophobicContact CD2-CE 4.48Å; F180-M208 HydrophobicContact CD1-CE 3.76Å; F180-M208 HydrophobicContact CE1-CE 3.5Å; I181-M208 HydrophobicContact CG1-CE 4.22Å; I181-M208 HydrophobicContact CG1-SD 4.08Å; I204-M208 HydrophobicContact CG2-CE 3.53Å; I204-M208 HydrophobicContact CG2-CG 4.4Å; I204-M208 HydrophobicContact CG2-SD 4.04Å; I204-M208 VanDerWaalsContact O-CG 3.29Å; I204-M208 WeakPolarHBondContact O-CG 3.39Å; I204-M208 PolarHBondContact O-N 3.45Å; L205-M208 WeakPolarHBondContact O-CB 3.35Å; L205-M208 PolarHBondContact O-N 3.47Å; E206-M208 PolarHBondContact O-N 3.32Å; M208-L210 PolarHBondContact O-N 3.47Å; M208-N211 PolarHBondContact O-N 2.93Å; M208-S212 PolarHBondContact O-N 3.26Å; M208-L215 HydrophobicContact CB-CB 4.23Å; M208-L215 HydrophobicContact CB-CD1 4.08Å; M208-L215 HydrophobicContact CG-CD1 4.26Å; M208-L215 WeakPolarHBondContact O-CB 3.39Å; M208-V219 HydrophobicContact CB-CG2 4.27Å; M208-V219 HydrophobicContact SD-CG2 4.44Å
209V91.9Very high91.3Very high0 Ų026.7 Ų26.70%013%0.132CC..Hα-helixtrans-61.5-44.8-179.9169.30000111.2L205 E206 S207 N211 Y216 V219 A249 L250 K253L205-V209 VanDerWaalsContact O-CG2 3.29Å; L205-V209 WeakPolarHBondContact O-CG2 3.45Å; L205-V209 PolarHBondContact O-N 3.37Å; E206-V209 PolarHBondContact O-N 2.94Å; S207-V209 PolarHBondContact O-N 2.86Å; V209-N211 PolarHBondContact O-N 3.21Å; V209-Y216 HydrophobicContact CG1-CD2 3.91Å; V209-V219 HydrophobicContact CG2-CB 3.87Å; V209-V219 HydrophobicContact CG2-CG1 3.77Å; V209-V219 HydrophobicContact CG2-CG2 4.18Å; V209-A249 HydrophobicContact CB-CB 4.25Å; V209-A249 HydrophobicContact CG1-CB 3.87Å; V209-A249 WeakPolarHBondContact CG1-O 3.44Å; V209-L250 HydrophobicContact CG1-CD2 4.39Å; V209-L250 HydrophobicContact CG2-CD2 3.84Å; V209-L250 HydrophobicContact CG2-CG 4.49Å; V209-K253 HydrophobicContact CG1-CB 3.99Å; V209-K253 HydrophobicContact CG1-CG 4Å; V209-K253 WeakPolarHBondContact O-CG 3.37Å
210L89.4Confident91.3Very high39 Ų3927.1 Ų27.120%0.20414%0.141CC..Hα-helixtrans-71-31.7-176.2-69172.5000113.4E206 S207 M208 A249 L252 K253E206-L210 HydrophobicContact CG-CD1 4.13Å; E206-L210 WeakPolarHBondContact O-CG 3.29Å; E206-L210 PolarHBondContact O-N 2.87Å; S207-L210 PolarHBondContact O-N 3.13Å; M208-L210 PolarHBondContact O-N 3.47Å; L210-A249 HydrophobicContact CD1-CB 4.3Å; L210-A249 HydrophobicContact CD2-CB 3.81Å; L210-A249 HydrophobicContact CG-CB 3.82Å; L210-L252 HydrophobicContact CD2-CD2 4.15Å; L210-K253 HydrophobicContact CD2-CG 4.47Å; L210-K253 WeakPolarHBondContact O-CE 3.45Å; L210-K253 PolarHBondContact O-NZ 3.06Å
211N85.8Confident91.4Very high99 Ų9931.3 Ų31.353%0.52916%0.164SC..Hα-helixtrans-86.4-24-175.6-76-77.5000114.2W173 S207 M208 V209W173-N211 HydrophobicContact CB-CB 4.3Å; W173-N211 HydrophobicContact CG-CB 3.99Å; S207-N211 WeakPolarHBondContact O-CB 3.31Å; S207-N211 PolarHBondContact O-N 3.36Å; S207-N211 PolarHBondContact O-ND2 2.93Å; M208-N211 PolarHBondContact O-N 2.93Å; V209-N211 PolarHBondContact O-N 3.21Å
212S85.5Confident91.4Very high14 Ų1433.7 Ų33.710%0.09818%0.175CC..  trans-148.9135.3-176.4175.80000114D174 M208 D214 L215 Y216D174-S212 WeakPolarHBondContact OD1-CB 3.48Å; D174-S212 PolarHBondContact OD1-OG 3.48Å; M208-S212 PolarHBondContact O-N 3.26Å; S212-D214 PolarHBondContact OG-N 3.23Å; S212-L215 PolarHBondContact O-N 3.42Å; S212-Y216 PolarHBondContact O-N 2.89Å
213Q87.6Confident91.2Very high82 Ų8234 Ų3438%0.38318%0.177SC..Hα-helixtrans-69.6-34.1177.5-16665.428.600112.2Y216 H217 K253Q213-Y216 WeakPolarHBondContact O-CB 3.39Å; Q213-Y216 PolarHBondContact O-N 3.47Å; Q213-H217 PolarHBondContact O-CD2 3.24Å; Q213-H217 PolarHBondContact O-N 3.05Å; Q213-K253 PolarHBondContact NE2-O 3.3Å; Q213-K253 VanDerWaalsContact NE2-O 3.1Å
214D89.3Confident91.2Very high82 Ų8237.2 Ų37.244%0.43920%0.195SC..Hα-helixtrans-67.8-41.6175.5179.960.5000110.7S212 Y216 H217 K218S212-D214 PolarHBondContact OG-N 3.23Å; D214-Y216 VanDerWaalsContact C-N 3.35Å; D214-Y216 PolarHBondContact O-N 2.53Å; D214-H217 PolarHBondContact O-N 2.83Å; D214-K218 WeakPolarHBondContact O-CG 3.48Å; D214-K218 PolarHBondContact O-N 3.48Å; D214-K218 VanDerWaalsContact O-N 3.1Å; D214-K218 WeakPolarHBondContact OD2-CE 3.16Å; D214-K218 IonicContact OD2-NZ 3.34Å; D214-K218 PolarHBondContact OD2-NZ 2.88Å
215L91.6Very high91Very high0 Ų037.8 Ų37.80%020%0.198CC..Hα-helixtrans-65-37.7173.9-62.7-179.7000112.2W173 I181 M208 S212 H217 K218 V219W173-L215 HydrophobicContact CB-CD1 3.54Å; W173-L215 WeakPolarHBondContact O-CD1 3.42Å; I181-L215 HydrophobicContact CD1-CD2 3.74Å; M208-L215 HydrophobicContact CB-CB 4.23Å; M208-L215 HydrophobicContact CB-CD1 4.08Å; M208-L215 HydrophobicContact CG-CD1 4.26Å; M208-L215 WeakPolarHBondContact O-CB 3.39Å; S212-L215 PolarHBondContact O-N 3.42Å; L215-H217 VanDerWaalsContact C-N 3.31Å; L215-H217 PolarHBondContact O-N 3.28Å; L215-K218 HydrophobicContact CD2-CD 4.31Å; L215-K218 PolarHBondContact O-N 3.22Å; L215-V219 WeakPolarHBondContact O-CB 3.37Å; L215-V219 VanDerWaalsContact O-CG2 3.32Å; L215-V219 WeakPolarHBondContact O-CG2 3.11Å; L215-V219 PolarHBondContact O-N 3.39Å
216Y93.2Very high90.8Very high6 Ų639.3 Ų39.32%0.02421%0.213CC..Hα-helixtrans-52.7-49.8170.5161.7-96.1000111.4V209 S212 Q213 D214 K218 V219 A220 L250 K253 A254 P255V209-Y216 HydrophobicContact CG1-CD2 3.91Å; S212-Y216 PolarHBondContact O-N 2.89Å; Q213-Y216 WeakPolarHBondContact O-CB 3.39Å; Q213-Y216 PolarHBondContact O-N 3.47Å; D214-Y216 VanDerWaalsContact C-N 3.35Å; D214-Y216 PolarHBondContact O-N 2.53Å; Y216-K218 VanDerWaalsContact C-N 3.32Å; Y216-K218 PolarHBondContact O-N 3.1Å; Y216-V219 PolarHBondContact O-N 2.71Å; Y216-A220 HydrophobicContact CE2-CB 4.39Å; Y216-A220 VanDerWaalsContact O-CB 3.23Å; Y216-A220 WeakPolarHBondContact O-CB 3.44Å; Y216-A220 PolarHBondContact O-N 3.43Å; Y216-L250 HydrophobicContact CD2-CD2 4Å; Y216-L250 HydrophobicContact CE2-CD2 3.94Å; Y216-L250 VanDerWaalsContact CE2-O 3.27Å; Y216-L250 WeakPolarHBondContact CE2-O 3.25Å; Y216-K253 HydrophobicContact CD2-CB 3.92Å; Y216-K253 HydrophobicContact CE2-CB 4.48Å; Y216-K253 HydrophobicContact CG-CB 4.21Å; Y216-A254 HydrophobicContact CE2-CB 4.49Å; Y216-A254 WeakPolarHBondContact OH-CA 3.49Å; Y216-A254 WeakPolarHBondContact OH-CB 3.45Å; Y216-P255 HydrophobicContact CE1-CG 4.49Å
217H92.1Very high90.7Very high67 Ų6742.1 Ų42.131%0.3123%0.226SC..Hα-helixtrans-62.3-39.8-179.8-71.9-53.6000112.6Q213 D214 L215 Q221Q213-H217 PolarHBondContact O-CD2 3.24Å; Q213-H217 PolarHBondContact O-N 3.05Å; D214-H217 PolarHBondContact O-N 2.83Å; L215-H217 VanDerWaalsContact C-N 3.31Å; L215-H217 PolarHBondContact O-N 3.28Å; H217-Q221 VanDerWaalsContact O-CG 3.27Å; H217-Q221 WeakPolarHBondContact O-CG 3.33Å; H217-Q221 PolarHBondContact O-N 3.1Å
218K92.6Very high90.8Very high45 Ų4541.7 Ų41.720%0.19622%0.224CC..Hα-helixtrans-67.1-46.6176.9-67.8169.1-178.9168.90111.7V178 I181 D214 L215 Y216 Q221 E222V178-K218 HydrophobicContact CG2-CD 4.16Å; I181-K218 HydrophobicContact CD1-CB 4.07Å; I181-K218 HydrophobicContact CD1-CD 3.81Å; D214-K218 WeakPolarHBondContact O-CG 3.48Å; D214-K218 PolarHBondContact O-N 3.48Å; D214-K218 VanDerWaalsContact O-N 3.1Å; D214-K218 WeakPolarHBondContact OD2-CE 3.16Å; D214-K218 IonicContact OD2-NZ 3.34Å; D214-K218 PolarHBondContact OD2-NZ 2.88Å; L215-K218 HydrophobicContact CD2-CD 4.31Å; L215-K218 PolarHBondContact O-N 3.22Å; Y216-K218 VanDerWaalsContact C-N 3.32Å; Y216-K218 PolarHBondContact O-N 3.1Å; K218-Q221 PolarHBondContact O-N 3.29Å; K218-E222 WeakPolarHBondContact O-CG 3.41Å; K218-E222 PolarHBondContact O-N 2.48Å
219V93.9Very high90.9Very high0 Ų042.5 Ų42.50%023%0.228CC..Hα-helixtrans-64.5-43.2179.3173.10000111.1I181 L205 M208 V209 L215 Y216 Q221 E222 I223 L250I181-V219 HydrophobicContact CG2-CG2 3.99Å; L205-V219 HydrophobicContact CB-CG1 4.5Å; L205-V219 HydrophobicContact CD2-CG1 4.03Å; L205-V219 HydrophobicContact CD2-CG2 4.04Å; M208-V219 HydrophobicContact CB-CG2 4.27Å; M208-V219 HydrophobicContact SD-CG2 4.44Å; V209-V219 HydrophobicContact CG2-CB 3.87Å; V209-V219 HydrophobicContact CG2-CG1 3.77Å; V209-V219 HydrophobicContact CG2-CG2 4.18Å; L215-V219 WeakPolarHBondContact O-CB 3.37Å; L215-V219 VanDerWaalsContact O-CG2 3.32Å; L215-V219 WeakPolarHBondContact O-CG2 3.11Å; L215-V219 PolarHBondContact O-N 3.39Å; Y216-V219 PolarHBondContact O-N 2.71Å; V219-Q221 PolarHBondContact O-N 2.98Å; V219-E222 PolarHBondContact O-N 3.37Å; V219-I223 HydrophobicContact CG1-CD1 4.35Å; V219-I223 PolarHBondContact O-N 2.92Å; V219-L250 HydrophobicContact CG1-CD2 4.35Å
220A91.9Very high91Very high41 Ų4145.8 Ų45.834%0.33925%0.249SC..Hα-helixtrans-64.3-20.617800000113.6Y216 L250Y216-A220 HydrophobicContact CE2-CB 4.39Å; Y216-A220 VanDerWaalsContact O-CB 3.23Å; Y216-A220 WeakPolarHBondContact O-CB 3.44Å; Y216-A220 PolarHBondContact O-N 3.43Å; A220-L250 HydrophobicContact CB-CD2 4.36Å
221Q92.1Very high91.2Very high152 Ų15245.1 Ų45.171%0.7125%0.245SC*.Hα-helixtrans-80.1-28.3172.4-74171.813.900112.8H217 K218 V219H217-Q221 VanDerWaalsContact O-CG 3.27Å; H217-Q221 WeakPolarHBondContact O-CG 3.33Å; H217-Q221 PolarHBondContact O-N 3.1Å; K218-Q221 PolarHBondContact O-N 3.29Å; V219-Q221 PolarHBondContact O-N 2.98Å
222E92.8Very high91.6Very high50 Ų5040.4 Ų40.423%0.23422%0.22CC..Hα-helixtrans-95.4-20.6-174.6-61.5-57.1153.300113.7K182 A185 N189 K218 V219K182-E222 WeakPolarHBondContact CE-OE1 3.34Å; K182-E222 HydrophobicContact CG-CG 3.99Å; K182-E222 WeakPolarHBondContact CG-OE1 3.21Å; K182-E222 WeakPolarHBondContact CG-OE2 3.5Å; K182-E222 IonicContact NZ-OE1 2.75Å; A185-E222 HydrophobicContact CB-CB 3.65Å; N189-E222 PolarHBondContact ND2-O 3.14Å; K218-E222 WeakPolarHBondContact O-CG 3.41Å; K218-E222 PolarHBondContact O-N 2.48Å; V219-E222 PolarHBondContact O-N 3.37Å
223I91.7Very high92Very high7 Ų744.9 Ų44.94%0.03624%0.239CC..  trans-128.1129.4-176.7-60.4179.3000110.4A185 L205 V219 L228A185-I223 HydrophobicContact CB-CD1 3.91Å; A185-I223 HydrophobicContact CB-CG1 3.71Å; L205-I223 HydrophobicContact CD1-CD1 3.27Å; L205-I223 HydrophobicContact CD2-CD1 3.91Å; L205-I223 HydrophobicContact CG-CD1 4.13Å; V219-I223 HydrophobicContact CG1-CD1 4.35Å; V219-I223 PolarHBondContact O-N 2.92Å; I223-L228 HydrophobicContact CG2-CD1 4.05Å; I223-L228 HydrophobicContact CG2-CD2 3.82Å; I223-L228 HydrophobicContact CG2-CG 3.82Å
224T90.8Very high92.2Very high78 Ų7842.5 Ų42.548%0.47924%0.236SC..  trans-105.8151.2172.566.70000110.5G226 Q227 L228T224-G226 PolarHBondContact O-N 2.74Å; T224-G226 VanDerWaalsContact O-N 3.13Å; T224-Q227 WeakPolarHBondContact O-CB 3.14Å; T224-Q227 PolarHBondContact O-N 2.86Å; T224-Q227 WeakPolarHBondContact OG1-CG 3.48Å; T224-Q227 PolarHBondContact OG1-N 2.79Å; T224-Q227 PolarHBondContact OG1-OE1 2.74Å; T224-L228 PolarHBondContact O-N 3.08Å
225I89.7Confident92.2Very high13 Ų1345 Ų457%0.06726%0.255CS..Hα-helixtrans-53.4-35.7172.5-58.9-61.4000111.4Q227 L228 I229 I247 I265 L266I225-Q227 VanDerWaalsContact C-N 3.26Å; I225-Q227 PolarHBondContact O-N 2.77Å; I225-L228 PolarHBondContact O-N 3.3Å; I225-L228 VanDerWaalsContact O-N 3.1Å; I225-I229 WeakPolarHBondContact O-CG1 3.46Å; I225-I229 PolarHBondContact O-N 2.88Å; I225-I247 HydrophobicContact CD1-CG1 4.29Å; I225-I265 HydrophobicContact CB-CG2 4.11Å; I225-I265 HydrophobicContact CG1-CG2 4.14Å; I225-L266 HydrophobicContact CB-CD2 4.38Å; I225-L266 HydrophobicContact CD1-CD2 3.8Å; I225-L266 HydrophobicContact CG1-CD2 3.88Å; I225-L266 HydrophobicContact CG2-CD2 3.62Å
226G89.8Confident92.2Very high32 Ų3248 Ų4833%0.3327%0.271SS..Hα-helixtrans-60.6-32.1177.400000114.1T224 P230T224-G226 PolarHBondContact O-N 2.74Å; T224-G226 VanDerWaalsContact O-N 3.13Å; G226-P230 WeakPolarHBondContact O-CD 3.49Å
227Q91.6Very high92.2Very high69 Ų6949.3 Ų49.332%0.32228%0.277SS..Hα-helixtrans-79.3-21.3177.1-70.9159.7-4900112.9N189 T224 I225 P230N189-Q227 VanDerWaalsContact CG-NE2 3.28Å; N189-Q227 PolarHBondContact ND2-NE2 3.47Å; N189-Q227 WeakPolarHBondContact OD1-CB 3.49Å; N189-Q227 PolarHBondContact OD1-NE2 2.99Å; N189-Q227 PolarHBondContact OD1-OE1 3.34Å; T224-Q227 WeakPolarHBondContact O-CB 3.14Å; T224-Q227 PolarHBondContact O-N 2.86Å; T224-Q227 WeakPolarHBondContact OG1-CG 3.48Å; T224-Q227 PolarHBondContact OG1-N 2.79Å; T224-Q227 PolarHBondContact OG1-OE1 2.74Å; I225-Q227 VanDerWaalsContact C-N 3.26Å; I225-Q227 PolarHBondContact O-N 2.77Å; Q227-P230 WeakPolarHBondContact O-CD 3.32Å
228L93.2Very high92.1Very high0 Ų049.8 Ų49.80%028%0.282CS..Hα-helixtrans-82.5-27177.2-63.5-179.6000112.6V188 L202 I223 T224 I225 H231 T243 V246 I247V188-L228 HydrophobicContact CG1-CD2 3.7Å; L202-L228 HydrophobicContact CD2-CD2 4.19Å; I223-L228 HydrophobicContact CG2-CD1 4.05Å; I223-L228 HydrophobicContact CG2-CD2 3.82Å; I223-L228 HydrophobicContact CG2-CG 3.82Å; T224-L228 PolarHBondContact O-N 3.08Å; I225-L228 PolarHBondContact O-N 3.3Å; I225-L228 VanDerWaalsContact O-N 3.1Å; L228-H231 WeakPolarHBondContact O-CB 3.46Å; L228-H231 PolarHBondContact O-N 3.49Å; L228-H231 VanDerWaalsContact O-N 3.12Å; L228-T243 HydrophobicContact CB-CG2 3.86Å; L228-T243 HydrophobicContact CD2-CG2 4.43Å; L228-T243 WeakPolarHBondContact O-CG2 3.38Å; L228-V246 HydrophobicContact CD1-CG1 4.04Å; L228-I247 HydrophobicContact CD1-CD1 4.42Å; L228-I247 HydrophobicContact CD1-CG1 3.74Å
229I93.4Very high92.1Very high17 Ų1748.2 Ų48.29%0.08728%0.276CS..Hα-helixtrans-55.5-45.6-177.4-76.4165.6000114.7I225 H231 L232 Q233 K269 I274I225-I229 WeakPolarHBondContact O-CG1 3.46Å; I225-I229 PolarHBondContact O-N 2.88Å; I229-H231 PolarHBondContact O-N 3.07Å; I229-H231 VanDerWaalsContact O-N 3.15Å; I229-L232 WeakPolarHBondContact O-CB 3.35Å; I229-L232 PolarHBondContact O-N 2.88Å; I229-Q233 HydrophobicContact CG2-CG 4.33Å; I229-Q233 PolarHBondContact O-N 3.33Å; I229-Q233 VanDerWaalsContact O-N 3.15Å; I229-K269 HydrophobicContact CD1-CB 3.58Å; I229-K269 HydrophobicContact CD1-CD 4.39Å; I229-K269 HydrophobicContact CD1-CG 4.2Å; I229-I274 HydrophobicContact CB-CD1 4.45Å; I229-I274 HydrophobicContact CD1-CD1 4.32Å; I229-I274 HydrophobicContact CG1-CD1 4.21Å; I229-I274 HydrophobicContact CG2-CD1 3.47Å; I229-I274 VanDerWaalsContact CG2-CD1 3.47Å
230P93.6Very high92.2Very high69 Ų6948.4 Ų48.445%0.44828%0.277SS..Hα-helixtrans-57.5-30.6179.2-26.536.1000113.2G226 Q227 L232 Q233 G234G226-P230 WeakPolarHBondContact O-CD 3.49Å; Q227-P230 WeakPolarHBondContact O-CD 3.32Å; P230-L232 VanDerWaalsContact C-N 3.34Å; P230-Q233 PolarHBondContact O-N 2.83Å; P230-G234 PolarHBondContact O-N 2.66Å
231H93.8Very high92.3Very high24 Ų2446.8 Ų46.811%0.11126%0.263CS..Hα-helixtrans-71.2-30.2178.1-54.2-43.5000112.1V188 L228 I229 I239 T243V188-H231 PolarHBondContact O-CE1 3.11Å; V188-H231 VanDerWaalsContact O-CE1 3.29Å; V188-H231 PolarHBondContact O-NE2 3.4Å; L228-H231 WeakPolarHBondContact O-CB 3.46Å; L228-H231 PolarHBondContact O-N 3.49Å; L228-H231 VanDerWaalsContact O-N 3.12Å; I229-H231 PolarHBondContact O-N 3.07Å; I229-H231 VanDerWaalsContact O-N 3.15Å; H231-I239 HydrophobicContact CB-CG2 3.91Å; H231-T243 HydrophobicContact CB-CG2 4.12Å; H231-T243 WeakPolarHBondContact CB-OG1 3.41Å
232L94.2Very high92.4Very high1 Ų143.1 Ų43.11%0.00524%0.243CC..Hα-helixtrans-75.7-26172.6-61.2176000113.1I229 P230 G234 Q240 T243 I244 I247 L271 I274 I275 N278I229-L232 WeakPolarHBondContact O-CB 3.35Å; I229-L232 PolarHBondContact O-N 2.88Å; P230-L232 VanDerWaalsContact C-N 3.34Å; L232-G234 VanDerWaalsContact C-N 3.29Å; L232-Q240 HydrophobicContact CD2-CB 4.49Å; L232-Q240 PolarHBondContact O-NE2 2.78Å; L232-T243 HydrophobicContact CD1-CG2 4.4Å; L232-T243 HydrophobicContact CD2-CG2 3.68Å; L232-T243 HydrophobicContact CG-CG2 3.74Å; L232-I244 HydrophobicContact CD2-CD1 4.26Å; L232-I244 HydrophobicContact CD2-CG1 3.56Å; L232-I247 HydrophobicContact CD1-CD1 4.03Å; L232-L271 HydrophobicContact CD1-CD1 3.28Å; L232-I274 HydrophobicContact CB-CG2 3.95Å; L232-I275 HydrophobicContact CD1-CG1 4.48Å; L232-N278 VanDerWaalsContact O-CB 3.26Å; L232-N278 WeakPolarHBondContact O-CB 3.34Å
233Q93.8Very high92.6Very high107 Ų10740.7 Ų40.750%0.523%0.232SC..SBendtrans-81.3-9.8177.3-66.5176.1-38.500112.9I229 P230 I274I229-Q233 HydrophobicContact CG2-CG 4.33Å; I229-Q233 PolarHBondContact O-N 3.33Å; I229-Q233 VanDerWaalsContact O-N 3.15Å; P230-Q233 PolarHBondContact O-N 2.83Å; Q233-I274 HydrophobicContact CG-CG2 3.85Å
234G90.6Very high92.8Very high32 Ų3240.4 Ų40.433%0.3323%0.23SC..SBendtrans-68.4172.4170.900000112.4P230 L232 Q240P230-G234 PolarHBondContact O-N 2.66Å; L232-G234 VanDerWaalsContact C-N 3.29Å; G234-Q240 PolarHBondContact O-NE2 3.42Å
235T90Very high93Very high136 Ų13636.8 Ų36.883%0.83421%0.208SC*.SBendtrans-98.4-7.1179.455.40000113.8Q237T235-Q237 PolarHBondContact O-N 3.1Å
236D91.6Very high93.3Very high61 Ų6136.2 Ų36.233%0.32621%0.205SC..  trans-83.7110.7-176.5-171.9-50.4000110.2T195 D238 I239 Q240T195-D236 VanDerWaalsContact CG2-OD2 3.32Å; T195-D236 WeakPolarHBondContact CG2-OD2 3.44Å; D236-D238 VanDerWaalsContact C-N 3.3Å; D236-D238 PolarHBondContact O-N 2.77Å; D236-D238 WeakPolarHBondContact OD1-CB 3.25Å; D236-D238 PolarHBondContact OD1-N 2.78Å; D236-I239 HydrophobicContact CB-CB 4.14Å; D236-I239 HydrophobicContact CB-CG1 4.04Å; D236-I239 PolarHBondContact O-N 3.04Å; D236-I239 PolarHBondContact OD1-N 3.31Å; D236-I239 VanDerWaalsContact OD1-N 3.11Å; D236-Q240 VanDerWaalsContact O-CG 3.29Å; D236-Q240 WeakPolarHBondContact O-CG 3.44Å; D236-Q240 PolarHBondContact O-N 2.98Å
237Q92.1Very high93.6Very high34 Ų3434.8 Ų34.816%0.15919%0.19CC..Hα-helixtrans-65.5-32.1-175.1-176.817271.600112.5T235 Q240 T241 P285 N287 M290T235-Q237 PolarHBondContact O-N 3.1Å; Q237-Q240 PolarHBondContact O-N 2.99Å; Q237-T241 WeakPolarHBondContact O-CB 3.49Å; Q237-T241 PolarHBondContact O-N 3.33Å; Q237-T241 PolarHBondContact O-OG1 3.46Å; Q237-P285 PolarHBondContact NE2-O 2.81Å; Q237-N287 VanDerWaalsContact OE1-CG 3.31Å; Q237-N287 PolarHBondContact OE1-ND2 3.37Å; Q237-M290 HydrophobicContact CG-CE 4.14Å
238D90.5Very high93.8Very high78 Ų7831.8 Ų31.842%0.41718%0.176SC..Hα-helixtrans-67.9-47.6178.4-68.1-25.3000109.6D236 Q240 T241 Y242D236-D238 VanDerWaalsContact C-N 3.3Å; D236-D238 PolarHBondContact O-N 2.77Å; D236-D238 WeakPolarHBondContact OD1-CB 3.25Å; D236-D238 PolarHBondContact OD1-N 2.78Å; D238-Q240 VanDerWaalsContact C-N 3.31Å; D238-Q240 PolarHBondContact O-N 3.36Å; D238-T241 WeakPolarHBondContact O-CB 3.25Å; D238-T241 PolarHBondContact O-N 2.72Å; D238-T241 VanDerWaalsContact O-N 3.07Å; D238-Y242 VanDerWaalsContact O-CD2 3.24Å; D238-Y242 WeakPolarHBondContact O-CD2 3.42Å; D238-Y242 PolarHBondContact O-N 3.16Å
239I93.4Very high93.8Very high11 Ų1132 Ų326%0.05618%0.177CC..Hα-helixtrans-59.2-43.6175.8-62.9-57.8000111.4T195 L198 Q199 L202 H231 D236 T241 T243T195-I239 HydrophobicContact CG2-CD1 3.81Å; T195-I239 HydrophobicContact CG2-CG1 3.75Å; L198-I239 HydrophobicContact CB-CD1 4.2Å; L198-I239 HydrophobicContact CD2-CD1 4.04Å; L198-I239 HydrophobicContact CD2-CG1 4.49Å; L198-I239 HydrophobicContact CD2-CG2 3.87Å; L198-I239 HydrophobicContact CG-CD1 4.04Å; Q199-I239 HydrophobicContact CB-CD1 3.85Å; L202-I239 HydrophobicContact CD1-CG2 4.47Å; H231-I239 HydrophobicContact CB-CG2 3.91Å; D236-I239 HydrophobicContact CB-CB 4.14Å; D236-I239 HydrophobicContact CB-CG1 4.04Å; D236-I239 PolarHBondContact O-N 3.04Å; D236-I239 PolarHBondContact OD1-N 3.31Å; D236-I239 VanDerWaalsContact OD1-N 3.11Å; I239-T241 VanDerWaalsContact C-N 3.3Å; I239-T241 PolarHBondContact O-N 2.55Å; I239-T243 VanDerWaalsContact O-CB 3.28Å; I239-T243 WeakPolarHBondContact O-CB 3.3Å; I239-T243 PolarHBondContact O-N 3.4Å; I239-T243 PolarHBondContact O-OG1 2.83Å
240Q95.4Very high93.9Very high5 Ų531.4 Ų31.42%0.02318%0.175CC..Hα-helixtrans-58.8-44.7175-69.3175.3-20.100110.9L232 G234 D236 Q237 D238 T243 I244 N278 M290L232-Q240 HydrophobicContact CD2-CB 4.49Å; L232-Q240 PolarHBondContact O-NE2 2.78Å; G234-Q240 PolarHBondContact O-NE2 3.42Å; D236-Q240 VanDerWaalsContact O-CG 3.29Å; D236-Q240 WeakPolarHBondContact O-CG 3.44Å; D236-Q240 PolarHBondContact O-N 2.98Å; Q237-Q240 PolarHBondContact O-N 2.99Å; D238-Q240 VanDerWaalsContact C-N 3.31Å; D238-Q240 PolarHBondContact O-N 3.36Å; Q240-T243 PolarHBondContact O-N 2.8Å; Q240-I244 WeakPolarHBondContact O-CG1 3.39Å; Q240-I244 PolarHBondContact O-N 3.23Å; Q240-N278 PolarHBondContact NE2-O 3.37Å; Q240-M290 HydrophobicContact CB-CE 3.45Å; Q240-M290 VanDerWaalsContact CB-CE 3.45Å
241T94.6Very high93.8Very high7 Ų728.3 Ų28.34%0.04315%0.154CC..Hα-helixtrans-61-54.7-178.6-59.50000110.8Q237 D238 I239 T243 I244 A245 E289 M290 Q293Q237-T241 WeakPolarHBondContact O-CB 3.49Å; Q237-T241 PolarHBondContact O-N 3.33Å; Q237-T241 PolarHBondContact O-OG1 3.46Å; D238-T241 WeakPolarHBondContact O-CB 3.25Å; D238-T241 PolarHBondContact O-N 2.72Å; D238-T241 VanDerWaalsContact O-N 3.07Å; I239-T241 VanDerWaalsContact C-N 3.3Å; I239-T241 PolarHBondContact O-N 2.55Å; T241-T243 PolarHBondContact O-N 3.27Å; T241-I244 PolarHBondContact O-N 2.93Å; T241-A245 WeakPolarHBondContact O-CB 3.21Å; T241-A245 PolarHBondContact O-N 2.93Å; T241-E289 HydrophobicContact CG2-CB 4.24Å; T241-E289 HydrophobicContact CG2-CG 3.53Å; T241-M290 VanDerWaalsContact OG1-CE 3.25Å; T241-M290 WeakPolarHBondContact OG1-CE 3.5Å; T241-Q293 HydrophobicContact CG2-CG 4.04Å
242Y93.9Very high93.7Very high74 Ų7430.2 Ų30.229%0.2917%0.165SC..Hα-helixtrans-61.6-32.4177.7-79.4-78.3000112.4Q199 A203 D238 A245 V246Q199-Y242 HydrophobicContact CG-CD2 3.51Å; Q199-Y242 HydrophobicContact CG-CE2 3.45Å; Q199-Y242 VanDerWaalsContact CG-CE2 3.45Å; Q199-Y242 HydrophobicContact CG-CG 4.28Å; Q199-Y242 VanDerWaalsContact NE2-CE2 3.27Å; A203-Y242 HydrophobicContact CB-CD1 3.85Å; A203-Y242 HydrophobicContact CB-CE1 3.6Å; D238-Y242 VanDerWaalsContact O-CD2 3.24Å; D238-Y242 WeakPolarHBondContact O-CD2 3.42Å; D238-Y242 PolarHBondContact O-N 3.16Å; Y242-A245 PolarHBondContact O-N 2.99Å; Y242-V246 WeakPolarHBondContact O-CG2 3.06Å; Y242-V246 PolarHBondContact O-N 2.92Å
243T96.4Very high93.5Very high0 Ų033.4 Ų33.40%018%0.179CC..Hα-helixtrans-68-45.2176.5-57.90000111.6L228 H231 L232 I239 Q240 T241 A245 V246 I247L228-T243 HydrophobicContact CB-CG2 3.86Å; L228-T243 HydrophobicContact CD2-CG2 4.43Å; L228-T243 WeakPolarHBondContact O-CG2 3.38Å; H231-T243 HydrophobicContact CB-CG2 4.12Å; H231-T243 WeakPolarHBondContact CB-OG1 3.41Å; L232-T243 HydrophobicContact CD1-CG2 4.4Å; L232-T243 HydrophobicContact CD2-CG2 3.68Å; L232-T243 HydrophobicContact CG-CG2 3.74Å; I239-T243 VanDerWaalsContact O-CB 3.28Å; I239-T243 WeakPolarHBondContact O-CB 3.3Å; I239-T243 PolarHBondContact O-N 3.4Å; I239-T243 PolarHBondContact O-OG1 2.83Å; Q240-T243 PolarHBondContact O-N 2.8Å; T241-T243 PolarHBondContact O-N 3.27Å; T243-A245 VanDerWaalsContact C-N 3.3Å; T243-A245 PolarHBondContact O-N 2.98Å; T243-V246 PolarHBondContact O-N 3.12Å; T243-I247 HydrophobicContact CG2-CD1 4.39Å; T243-I247 WeakPolarHBondContact O-CG1 3.1Å; T243-I247 PolarHBondContact O-N 3.25Å; T243-I247 VanDerWaalsContact O-N 3.1Å
244I96.6Very high93.3Very high1 Ų128.4 Ų28.41%0.00516%0.156CC..Hα-helixtrans-63.9-39.4174.3-63.3-179.5000110.1L232 Q240 T241 V246 I247 N248 I275 V279 M290 Q293 L294 L297L232-I244 HydrophobicContact CD2-CD1 4.26Å; L232-I244 HydrophobicContact CD2-CG1 3.56Å; Q240-I244 WeakPolarHBondContact O-CG1 3.39Å; Q240-I244 PolarHBondContact O-N 3.23Å; T241-I244 PolarHBondContact O-N 2.93Å; I244-V246 PolarHBondContact O-N 3.39Å; I244-I247 CarbonylContact O-C 3.54Å; I244-I247 WeakPolarHBondContact O-CB 3.19Å; I244-I247 PolarHBondContact O-N 3.34Å; I244-I247 VanDerWaalsContact O-N 3.1Å; I244-N248 WeakPolarHBondContact O-CB 3.17Å; I244-N248 PolarHBondContact O-N 2.88Å; I244-I275 HydrophobicContact CD1-CD1 4.34Å; I244-I275 HydrophobicContact CD1-CG1 4.39Å; I244-V279 HydrophobicContact CD1-CG2 4.47Å; I244-M290 HydrophobicContact CD1-CE 4.43Å; I244-M290 HydrophobicContact CD1-SD 3.75Å; I244-Q293 HydrophobicContact CB-CB 4.28Å; I244-Q293 HydrophobicContact CG2-CB 3.82Å; I244-L294 HydrophobicContact CD1-CD2 4.02Å; I244-L297 HydrophobicContact CG2-CD2 4.41Å
245A95.4Very high93.2Very high2 Ų229 Ų292%0.01715%0.154CC..Hα-helixtrans-60.6-42.6178.100000112.1E206 T241 Y242 T243 I247 N248 A249 Q293E206-A245 VanDerWaalsContact CD-CB 3.42Å; E206-A245 HydrophobicContact CG-CB 4.49Å; E206-A245 WeakPolarHBondContact OE1-CB 3.43Å; T241-A245 WeakPolarHBondContact O-CB 3.21Å; T241-A245 PolarHBondContact O-N 2.93Å; Y242-A245 PolarHBondContact O-N 2.99Å; T243-A245 VanDerWaalsContact C-N 3.3Å; T243-A245 PolarHBondContact O-N 2.98Å; A245-I247 PolarHBondContact O-N 2.93Å; A245-N248 PolarHBondContact O-N 3.48Å; A245-A249 WeakPolarHBondContact O-CB 3.39Å; A245-A249 PolarHBondContact O-N 3.47Å; A245-Q293 HydrophobicContact CB-CG 4.18Å
246V96.1Very high92.8Very high1 Ų129 Ų291%0.00614%0.144CC..Hα-helixtrans-61.3-43.8171.1171.70000111.9L202 E206 L228 Y242 T243 I244 A249 L250L202-V246 HydrophobicContact CB-CG2 4.13Å; L202-V246 HydrophobicContact CD2-CG2 4.05Å; L202-V246 VanDerWaalsContact O-CG2 3.28Å; L202-V246 WeakPolarHBondContact O-CG2 3.36Å; E206-V246 HydrophobicContact CB-CG2 3.82Å; E206-V246 HydrophobicContact CG-CG2 4.42Å; L228-V246 HydrophobicContact CD1-CG1 4.04Å; Y242-V246 WeakPolarHBondContact O-CG2 3.06Å; Y242-V246 PolarHBondContact O-N 2.92Å; T243-V246 PolarHBondContact O-N 3.12Å; I244-V246 PolarHBondContact O-N 3.39Å; V246-A249 PolarHBondContact O-N 2.86Å; V246-L250 HydrophobicContact CG1-CD1 4.02Å; V246-L250 HydrophobicContact CG1-CG 4.42Å; V246-L250 WeakPolarHBondContact O-CB 3.45Å; V246-L250 VanDerWaalsContact O-CG 3.3Å; V246-L250 WeakPolarHBondContact O-CG 3.45Å; V246-L250 PolarHBondContact O-N 2.89Å
247I96.3Very high92.4Very high2 Ų234.8 Ų34.81%0.0117%0.169CC..Hα-helixtrans-61.8-45.4177.1-66.8167.8000110.4I225 L228 L232 T243 I244 A245 L250 F251 L266 L271I225-I247 HydrophobicContact CD1-CG1 4.29Å; L228-I247 HydrophobicContact CD1-CD1 4.42Å; L228-I247 HydrophobicContact CD1-CG1 3.74Å; L232-I247 HydrophobicContact CD1-CD1 4.03Å; T243-I247 HydrophobicContact CG2-CD1 4.39Å; T243-I247 WeakPolarHBondContact O-CG1 3.1Å; T243-I247 PolarHBondContact O-N 3.25Å; T243-I247 VanDerWaalsContact O-N 3.1Å; I244-I247 CarbonylContact O-C 3.54Å; I244-I247 WeakPolarHBondContact O-CB 3.19Å; I244-I247 PolarHBondContact O-N 3.34Å; I244-I247 VanDerWaalsContact O-N 3.1Å; A245-I247 PolarHBondContact O-N 2.93Å; I247-L250 PolarHBondContact O-N 3.38Å; I247-F251 VanDerWaalsContact O-CB 3.3Å; I247-F251 WeakPolarHBondContact O-CB 3.27Å; I247-F251 PolarHBondContact O-N 2.85Å; I247-L266 HydrophobicContact CG2-CD2 4.26Å; I247-L271 HydrophobicContact CD1-CD1 4.06Å; I247-L271 HydrophobicContact CD1-CD2 4.23Å; I247-L271 HydrophobicContact CG2-CD2 4.17Å
248N95.3Very high92.2Very high6 Ų637.9 Ų37.93%0.03218%0.182CC..Hα-helixtrans-60.1-45.8176.3-75.6-18.6000111.3I244 A245 F251 L252 Q293 V296 L297 L300I244-N248 WeakPolarHBondContact O-CB 3.17Å; I244-N248 PolarHBondContact O-N 2.88Å; A245-N248 PolarHBondContact O-N 3.48Å; N248-F251 PolarHBondContact O-N 3.23Å; N248-L252 WeakPolarHBondContact O-CB 3.49Å; N248-L252 PolarHBondContact O-N 3.07Å; N248-Q293 PolarHBondContact ND2-O 2.65Å; N248-Q293 PolarHBondContact ND2-OE1 3.16Å; N248-V296 HydrophobicContact CB-CG1 3.92Å; N248-L297 WeakPolarHBondContact OD1-CA 3.47Å; N248-L297 VanDerWaalsContact OD1-CB 3.31Å; N248-L297 WeakPolarHBondContact OD1-CB 3.23Å; N248-L300 HydrophobicContact CB-CD1 4.2Å
249A93.9Very high92.1Very high3 Ų338.8 Ų38.83%0.02518%0.18CC..Hα-helixtrans-61.5-45.9177.500000112.1E206 V209 L210 A245 V246 F251 L252 K253E206-A249 HydrophobicContact CG-CB 3.71Å; V209-A249 HydrophobicContact CB-CB 4.25Å; V209-A249 HydrophobicContact CG1-CB 3.87Å; V209-A249 WeakPolarHBondContact CG1-O 3.44Å; L210-A249 HydrophobicContact CD1-CB 4.3Å; L210-A249 HydrophobicContact CD2-CB 3.81Å; L210-A249 HydrophobicContact CG-CB 3.82Å; A245-A249 WeakPolarHBondContact O-CB 3.39Å; A245-A249 PolarHBondContact O-N 3.47Å; V246-A249 PolarHBondContact O-N 2.86Å; A249-F251 VanDerWaalsContact C-N 3.28Å; A249-F251 PolarHBondContact O-N 3.3Å; A249-L252 PolarHBondContact O-N 3.34Å; A249-K253 WeakPolarHBondContact O-CB 3.38Å; A249-K253 PolarHBondContact O-N 2.84Å
250L94.1Very high91.8Very high5 Ų542.8 Ų42.83%0.02620%0.198CC..Hα-helixtrans-60.8-39.7176.1-74.8172000111.6V209 Y216 V219 A220 V246 I247 A254 M262V209-L250 HydrophobicContact CG1-CD2 4.39Å; V209-L250 HydrophobicContact CG2-CD2 3.84Å; V209-L250 HydrophobicContact CG2-CG 4.49Å; Y216-L250 HydrophobicContact CD2-CD2 4Å; Y216-L250 HydrophobicContact CE2-CD2 3.94Å; Y216-L250 VanDerWaalsContact CE2-O 3.27Å; Y216-L250 WeakPolarHBondContact CE2-O 3.25Å; V219-L250 HydrophobicContact CG1-CD2 4.35Å; A220-L250 HydrophobicContact CB-CD2 4.36Å; V246-L250 HydrophobicContact CG1-CD1 4.02Å; V246-L250 HydrophobicContact CG1-CG 4.42Å; V246-L250 WeakPolarHBondContact O-CB 3.45Å; V246-L250 VanDerWaalsContact O-CG 3.3Å; V246-L250 WeakPolarHBondContact O-CG 3.45Å; V246-L250 PolarHBondContact O-N 2.89Å; I247-L250 PolarHBondContact O-N 3.38Å; L250-A254 WeakPolarHBondContact O-CB 3.39Å; L250-A254 PolarHBondContact O-N 3.03Å; L250-A254 VanDerWaalsContact O-N 3.11Å; L250-M262 HydrophobicContact CB-CE 3.93Å; L250-M262 HydrophobicContact CB-SD 4.44Å
251F92.3Very high91.5Very high4 Ų448.2 Ų48.22%0.01822%0.224CC..Hα-helixtrans-74.7-42.4-178.8-165.4-177.8000111.9I247 N248 A249 K253 A254 R259 M262 L266 L300 L304I247-F251 VanDerWaalsContact O-CB 3.3Å; I247-F251 WeakPolarHBondContact O-CB 3.27Å; I247-F251 PolarHBondContact O-N 2.85Å; N248-F251 PolarHBondContact O-N 3.23Å; A249-F251 VanDerWaalsContact C-N 3.28Å; A249-F251 PolarHBondContact O-N 3.3Å; F251-K253 PolarHBondContact O-N 3.4Å; F251-A254 WeakPolarHBondContact O-CB 3.21Å; F251-A254 PolarHBondContact O-N 3.19Å; F251-R259 HydrophobicContact CD2-CG 4.43Å; F251-R259 HydrophobicContact CE2-CB 4.12Å; F251-R259 HydrophobicContact CE2-CG 4.33Å; F251-M262 WeakPolarHBondContact CA-SD 3.29Å; F251-M262 HydrophobicContact CB-SD 3.74Å; F251-M262 HydrophobicContact CD2-SD 4.05Å; F251-M262 HydrophobicContact CG-SD 4.04Å; F251-L266 HydrophobicContact CD1-CD1 4.17Å; F251-L266 HydrophobicContact CE1-CD1 4.2Å; F251-L300 HydrophobicContact CB-CD1 4.16Å; F251-L300 HydrophobicContact CD1-CB 3.85Å; F251-L300 HydrophobicContact CD1-CD1 4.18Å; F251-L300 HydrophobicContact CE1-CB 3.88Å; F251-L300 HydrophobicContact CG-CB 4.44Å; F251-L300 HydrophobicContact CG-CD1 4.34Å; F251-L300 HydrophobicContact CZ-CB 4.48Å; F251-L304 HydrophobicContact CE2-CD2 3.8Å; F251-L304 HydrophobicContact CE2-CG 4.38Å; F251-L304 HydrophobicContact CZ-CD1 3.81Å; F251-L304 HydrophobicContact CZ-CD2 3.64Å; F251-L304 HydrophobicContact CZ-CG 3.74Å
252L90.8Very high91.3Very high65 Ų6549 Ų4934%0.3423%0.227SC..Hα-helixtrans-61.9-40177.1-177.766.5000112.4L210 N248 A249 L300L210-L252 HydrophobicContact CD2-CD2 4.15Å; N248-L252 WeakPolarHBondContact O-CB 3.49Å; N248-L252 PolarHBondContact O-N 3.07Å; A249-L252 PolarHBondContact O-N 3.34Å; L252-L300 HydrophobicContact CB-CD2 4.34Å; L252-L300 HydrophobicContact CD1-CD2 3.94Å
253K89.6Confident91Very high68 Ų6846.3 Ų46.330%0.29622%0.22SC..Hα-helixtrans-90.2-4.6-179.2-68.4-71-166.81730114.4V209 L210 Q213 Y216 A249 F251V209-K253 HydrophobicContact CG1-CB 3.99Å; V209-K253 HydrophobicContact CG1-CG 4Å; V209-K253 WeakPolarHBondContact O-CG 3.37Å; L210-K253 HydrophobicContact CD2-CG 4.47Å; L210-K253 WeakPolarHBondContact O-CE 3.45Å; L210-K253 PolarHBondContact O-NZ 3.06Å; Q213-K253 PolarHBondContact NE2-O 3.3Å; Q213-K253 VanDerWaalsContact NE2-O 3.1Å; Y216-K253 HydrophobicContact CD2-CB 3.92Å; Y216-K253 HydrophobicContact CE2-CB 4.48Å; Y216-K253 HydrophobicContact CG-CB 4.21Å; A249-K253 WeakPolarHBondContact O-CB 3.38Å; A249-K253 PolarHBondContact O-N 2.84Å; F251-K253 PolarHBondContact O-N 3.4Å
254A90.4Very high90.7Very high2 Ų252.4 Ų52.42%0.01725%0.248CC..SBendtrans-62.1131.7175.800000110.6Y216 L250 F251 R259Y216-A254 HydrophobicContact CE2-CB 4.49Å; Y216-A254 WeakPolarHBondContact OH-CA 3.49Å; Y216-A254 WeakPolarHBondContact OH-CB 3.45Å; L250-A254 WeakPolarHBondContact O-CB 3.39Å; L250-A254 PolarHBondContact O-N 3.03Å; L250-A254 VanDerWaalsContact O-N 3.11Å; F251-A254 WeakPolarHBondContact O-CB 3.21Å; F251-A254 PolarHBondContact O-N 3.19Å; A254-R259 HydrophobicContact CB-CG 3.82Å; A254-R259 PolarHBondContact O-NE 3.25Å
255P87.9Confident90.4Very high45 Ų4555 Ų5529%0.29226%0.262SS..  trans-54147.4167.4-23.432.6000110.4Y216 E257 K258 R259Y216-P255 HydrophobicContact CE1-CG 4.49Å; P255-E257 VanDerWaalsContact C-N 3.29Å; P255-E257 PolarHBondContact O-N 2.62Å; P255-K258 WeakPolarHBondContact O-CA 3.27Å; P255-K258 PolarHBondContact O-N 3.49Å; P255-R259 PolarHBondContact O-N 2.75Å; P255-R259 VanDerWaalsContact O-N 3.08Å
256E82.5Confident90.2Very high135 Ų13555.4 Ų55.463%0.63126%0.263SS*.Hα-helixtrans-51.6-45.4-174.7-170.1171.6-174.800113K258 R259E256-K258 PolarHBondContact O-N 2.96Å; E256-R259 PolarHBondContact O-N 2.71Å; E256-R259 VanDerWaalsContact O-N 3.16Å
257E83.4Confident89.9Confident183 Ų18357.7 Ų57.786%0.85528%0.283SS*.Hα-helixtrans-58-32.2176.3-61.1178.7178.300113.4P255P255-E257 VanDerWaalsContact C-N 3.29Å; P255-E257 PolarHBondContact O-N 2.62Å
258K87.5Confident89.8Confident99 Ų9963.7 Ų63.743%0.4331%0.31SS..Hα-helixtrans-90.9-15.9-178.9-66.6-164.6175.1-167.70113.7P255 E256 Q260 E261 M262P255-K258 WeakPolarHBondContact O-CA 3.27Å; P255-K258 PolarHBondContact O-N 3.49Å; E256-K258 PolarHBondContact O-N 2.96Å; K258-Q260 VanDerWaalsContact C-N 3.35Å; K258-Q260 PolarHBondContact O-N 3.1Å; K258-E261 PolarHBondContact O-N 3.26Å; K258-M262 WeakPolarHBondContact O-CB 3.38Å; K258-M262 PolarHBondContact O-N 3.44Å
259R88.3Confident89.6Confident96 Ų9668 Ų6836%0.36233%0.329SS..Hα-helixtrans-62.5-42.6-179.9-73.4-178.9-156.1160.23.9111.7F251 A254 P255 E256 M262 A263 L304F251-R259 HydrophobicContact CD2-CG 4.43Å; F251-R259 HydrophobicContact CE2-CB 4.12Å; F251-R259 HydrophobicContact CE2-CG 4.33Å; A254-R259 HydrophobicContact CB-CG 3.82Å; A254-R259 PolarHBondContact O-NE 3.25Å; P255-R259 PolarHBondContact O-N 2.75Å; P255-R259 VanDerWaalsContact O-N 3.08Å; E256-R259 PolarHBondContact O-N 2.71Å; E256-R259 VanDerWaalsContact O-N 3.16Å; R259-M262 PolarHBondContact O-N 3.11Å; R259-A263 WeakPolarHBondContact O-CB 3.37Å; R259-A263 PolarHBondContact O-N 3.38Å; R259-L304 HydrophobicContact CB-CD2 4.31Å
260Q87.7Confident89.6Confident95 Ų9573.8 Ų73.844%0.44436%0.355SS..Hα-helixtrans-66.9-40.1177.6-67.7-66.2-14.700111.9K258 A263 H264 L304K258-Q260 VanDerWaalsContact C-N 3.35Å; K258-Q260 PolarHBondContact O-N 3.1Å; Q260-A263 PolarHBondContact O-N 3.2Å; Q260-H264 PolarHBondContact O-N 2.91Å; Q260-L304 PolarHBondContact NE2-O 3.26Å
261E89.3Confident89.6Confident120 Ų12073.8 Ų73.856%0.56136%0.355SS*.Hα-helixtrans-62.3-45.1173.9-174.5-176.3-175.400111.2K258 H264 I265K258-E261 PolarHBondContact O-N 3.26Å; E261-H264 WeakPolarHBondContact O-CB 3.35Å; E261-H264 PolarHBondContact O-N 3.45Å; E261-I265 HydrophobicContact CG-CD1 4.28Å; E261-I265 WeakPolarHBondContact O-CG1 3.24Å; E261-I265 PolarHBondContact O-N 3.48Å
262M89.3Confident89.7Confident24 Ų2475.8 Ų75.812%0.11836%0.363CS..Hα-helixtrans-60.1-48175.8-177.5171.4-80.200111.1L250 F251 K258 R259 H264 I265 L266L250-M262 HydrophobicContact CB-CE 3.93Å; L250-M262 HydrophobicContact CB-SD 4.44Å; F251-M262 WeakPolarHBondContact CA-SD 3.29Å; F251-M262 HydrophobicContact CB-SD 3.74Å; F251-M262 HydrophobicContact CD2-SD 4.05Å; F251-M262 HydrophobicContact CG-SD 4.04Å; K258-M262 WeakPolarHBondContact O-CB 3.38Å; K258-M262 PolarHBondContact O-N 3.44Å; R259-M262 PolarHBondContact O-N 3.11Å; M262-H264 VanDerWaalsContact C-N 3.26Å; M262-H264 PolarHBondContact O-N 2.96Å; M262-I265 WeakPolarHBondContact O-CB 3.37Å; M262-I265 PolarHBondContact O-N 3.21Å; M262-L266 HydrophobicContact CG-CG 4.41Å; M262-L266 WeakPolarHBondContact O-CG 3.15Å; M262-L266 PolarHBondContact O-N 3.19Å
263A88.4Confident89.8Confident16 Ų1675.1 Ų75.113%0.13236%0.363CS..Hα-helixtrans-56.4-41175.800000112.4R259 Q260 L266 A267 L304R259-A263 WeakPolarHBondContact O-CB 3.37Å; R259-A263 PolarHBondContact O-N 3.38Å; Q260-A263 PolarHBondContact O-N 3.2Å; A263-L266 PolarHBondContact O-N 3.3Å; A263-A267 PolarHBondContact O-N 2.65Å; A263-L304 HydrophobicContact CB-CD1 3.36Å; A263-L304 HydrophobicContact CB-CD2 3.98Å; A263-L304 HydrophobicContact CB-CG 4.31Å
264H90.1Very high90.1Very high128 Ų12872.7 Ų72.759%0.59335%0.354SS*.Hα-helixtrans-62-43.9174.4-174.472.2000112.1Q260 E261 M262 A267 Q268Q260-H264 PolarHBondContact O-N 2.91Å; E261-H264 WeakPolarHBondContact O-CB 3.35Å; E261-H264 PolarHBondContact O-N 3.45Å; M262-H264 VanDerWaalsContact C-N 3.26Å; M262-H264 PolarHBondContact O-N 2.96Å; H264-A267 PolarHBondContact O-N 3.43Å; H264-Q268 VanDerWaalsContact O-CB 3.31Å; H264-Q268 WeakPolarHBondContact O-CB 3.48Å; H264-Q268 PolarHBondContact O-N 2.93Å
265I90.4Very high90.4Very high56 Ų5672.7 Ų72.729%0.28735%0.353SS..Hα-helixtrans-62.3-44.1175.6-66.2165.3000110.8I225 E261 M262 A267 Q268 K269I225-I265 HydrophobicContact CB-CG2 4.11Å; I225-I265 HydrophobicContact CG1-CG2 4.14Å; E261-I265 HydrophobicContact CG-CD1 4.28Å; E261-I265 WeakPolarHBondContact O-CG1 3.24Å; E261-I265 PolarHBondContact O-N 3.48Å; M262-I265 WeakPolarHBondContact O-CB 3.37Å; M262-I265 PolarHBondContact O-N 3.21Å; I265-A267 VanDerWaalsContact C-N 3.32Å; I265-A267 PolarHBondContact O-N 3.38Å; I265-Q268 PolarHBondContact O-N 3.37Å; I265-K269 HydrophobicContact CG2-CG 4.24Å; I265-K269 WeakPolarHBondContact O-CB 3.39Å; I265-K269 VanDerWaalsContact O-CG 3.25Å; I265-K269 WeakPolarHBondContact O-CG 3.17Å; I265-K269 PolarHBondContact O-N 3.26Å
266L90.3Very high90.8Very high10 Ų1071.1 Ų71.15%0.05234%0.343CS..Hα-helixtrans-58.3-45177.8-65.5-174.9000111.5I225 I247 F251 M262 A263 Q270 L271I225-L266 HydrophobicContact CB-CD2 4.38Å; I225-L266 HydrophobicContact CD1-CD2 3.8Å; I225-L266 HydrophobicContact CG1-CD2 3.88Å; I225-L266 HydrophobicContact CG2-CD2 3.62Å; I247-L266 HydrophobicContact CG2-CD2 4.26Å; F251-L266 HydrophobicContact CD1-CD1 4.17Å; F251-L266 HydrophobicContact CE1-CD1 4.2Å; M262-L266 HydrophobicContact CG-CG 4.41Å; M262-L266 WeakPolarHBondContact O-CG 3.15Å; M262-L266 PolarHBondContact O-N 3.19Å; A263-L266 PolarHBondContact O-N 3.3Å; L266-Q270 PolarHBondContact O-N 3Å; L266-L271 HydrophobicContact CB-CB 4.42Å; L266-L271 HydrophobicContact CB-CD2 4.3Å; L266-L271 HydrophobicContact CD1-CD2 4.16Å; L266-L271 HydrophobicContact CD2-CD2 3.52Å; L266-L271 HydrophobicContact CG-CD2 4.18Å; L266-L271 WeakPolarHBondContact O-CB 3.35Å; L266-L271 PolarHBondContact O-N 3.37Å
267A90.6Very high91.4Very high50 Ų5068.4 Ų68.441%0.41334%0.335SS..Hα-helixtrans-66.4-48176.600000111.9A263 H264 I265 K269 Q270A263-A267 PolarHBondContact O-N 2.65Å; H264-A267 PolarHBondContact O-N 3.43Å; I265-A267 VanDerWaalsContact C-N 3.32Å; I265-A267 PolarHBondContact O-N 3.38Å; A267-K269 PolarHBondContact O-N 2.96Å; A267-Q270 PolarHBondContact O-N 2.84Å
268Q92.8Very high92Very high127 Ų12761.9 Ų61.959%0.59331%0.306SS*.Hα-helixtrans-58.4-35.6179-172.2-172.69.500112.1H264 I265 Q270H264-Q268 VanDerWaalsContact O-CB 3.31Å; H264-Q268 WeakPolarHBondContact O-CB 3.48Å; H264-Q268 PolarHBondContact O-N 2.93Å; I265-Q268 PolarHBondContact O-N 3.37Å; Q268-Q270 VanDerWaalsContact C-N 3.27Å; Q268-Q270 PolarHBondContact O-N 3.5Å
269K92.6Very high92.4Very high96 Ų9657.3 Ų57.342%0.41729%0.286SS..THydrogen-bonded Turntrans-85.25.1177.6-64-64.4-178.6-175.60114.2I229 I265 A267 L271I229-K269 HydrophobicContact CD1-CB 3.58Å; I229-K269 HydrophobicContact CD1-CD 4.39Å; I229-K269 HydrophobicContact CD1-CG 4.2Å; I265-K269 HydrophobicContact CG2-CG 4.24Å; I265-K269 WeakPolarHBondContact O-CB 3.39Å; I265-K269 VanDerWaalsContact O-CG 3.25Å; I265-K269 WeakPolarHBondContact O-CG 3.17Å; I265-K269 PolarHBondContact O-N 3.26Å; A267-K269 PolarHBondContact O-N 2.96Å; K269-L271 PolarHBondContact O-N 3.28Å
270Q93.4Very high92.7Very high125 Ų12554.1 Ų54.158%0.58428%0.276SS*.THydrogen-bonded Turntrans56.131179.3-53.8-177.14.300113.6L266 A267 Q268 R272 S273 I274L266-Q270 PolarHBondContact O-N 3Å; A267-Q270 PolarHBondContact O-N 2.84Å; Q268-Q270 VanDerWaalsContact C-N 3.27Å; Q268-Q270 PolarHBondContact O-N 3.5Å; Q270-R272 PolarHBondContact O-N 2.74Å; Q270-R272 VanDerWaalsContact O-N 3.09Å; Q270-S273 WeakPolarHBondContact O-CB 3.29Å; Q270-S273 PolarHBondContact O-N 3.27Å; Q270-I274 WeakPolarHBondContact O-CG1 3.14Å; Q270-I274 PolarHBondContact O-N 3.32Å; Q270-I274 VanDerWaalsContact O-N 3.13Å
271L93.7Very high93Very high5 Ų557.1 Ų57.13%0.02628%0.284CS..Hα-helixtrans-50.6-42.4-176.8177.266.7000111.5L232 I247 L266 K269 S273 I274 I275L232-L271 HydrophobicContact CD1-CD1 3.28Å; I247-L271 HydrophobicContact CD1-CD1 4.06Å; I247-L271 HydrophobicContact CD1-CD2 4.23Å; I247-L271 HydrophobicContact CG2-CD2 4.17Å; L266-L271 HydrophobicContact CB-CB 4.42Å; L266-L271 HydrophobicContact CB-CD2 4.3Å; L266-L271 HydrophobicContact CD1-CD2 4.16Å; L266-L271 HydrophobicContact CD2-CD2 3.52Å; L266-L271 HydrophobicContact CG-CD2 4.18Å; L266-L271 WeakPolarHBondContact O-CB 3.35Å; L266-L271 PolarHBondContact O-N 3.37Å; K269-L271 PolarHBondContact O-N 3.28Å; L271-S273 PolarHBondContact O-N 3.26Å; L271-I274 WeakPolarHBondContact O-CB 3.42Å; L271-I274 PolarHBondContact O-N 3.02Å; L271-I274 VanDerWaalsContact O-N 3.17Å; L271-I275 HydrophobicContact CD1-CD1 4.09Å; L271-I275 HydrophobicContact CD1-CG1 4.29Å; L271-I275 HydrophobicContact CD2-CD1 4.23Å; L271-I275 HydrophobicContact CG-CD1 3.83Å; L271-I275 HydrophobicContact CG-CG1 4.38Å; L271-I275 WeakPolarHBondContact O-CG1 3.37Å; L271-I275 PolarHBondContact O-N 3.38Å
272R93.9Very high93.2Very high47 Ų4753 Ų5318%0.17727%0.268CS..Hα-helixtrans-61.5-42.1-178.7-156.8179.769.772.721.2113.1Q270 I274 L276 F444 F445 T446 H447 D448Q270-R272 PolarHBondContact O-N 2.74Å; Q270-R272 VanDerWaalsContact O-N 3.09Å; R272-I274 VanDerWaalsContact C-N 3.33Å; R272-L276 WeakPolarHBondContact O-CB 3.45Å; R272-L276 PolarHBondContact O-N 3.42Å; R272-F444 PolarHBondContact NH1-O 3.23Å; R272-F445 HydrophobicContact CG-CB 4.5Å; R272-F445 HydrophobicContact CG-CD1 4.19Å; R272-F445 PolarHBondContact NH1-O 3.4Å; R272-T446 PolarHBondContact NH2-O 3.13Å; R272-H447 VanDerWaalsContact CZ-N 3.26Å; R272-H447 PolarHBondContact NE-O 3.23Å; R272-H447 VanDerWaalsContact NH1-CA 3.32Å; R272-H447 PolarHBondContact NH1-O 2.75Å; R272-H447 VanDerWaalsContact NH2-N 3.19Å; R272-D448 VanDerWaalsContact CZ-N 3.3Å; R272-D448 IonicContact CZ-OD1 3.81Å; R272-D448 VanDerWaalsContact CZ-OD1 3.3Å; R272-D448 IonicContact NE-OD1 3.84Å; R272-D448 PolarHBondContact NE-OD1 2.93Å; R272-D448 IonicContact NH2-OD1 3.45Å; R272-D448 PolarHBondContact NH2-OD1 3.04Å
273S94.1Very high93.2Very high50 Ų5058.1 Ų58.135%0.3530%0.303SS..Hα-helixtrans-66.5-37.6175.5-1770000111.5Q270 L271 L276 T277Q270-S273 WeakPolarHBondContact O-CB 3.29Å; Q270-S273 PolarHBondContact O-N 3.27Å; L271-S273 PolarHBondContact O-N 3.26Å; S273-L276 PolarHBondContact O-N 3.38Å; S273-T277 WeakPolarHBondContact O-CB 3.12Å; S273-T277 PolarHBondContact O-N 2.9Å; S273-T277 PolarHBondContact O-OG1 2.86Å
274I96.3Very high93.2Very high18 Ų1860.4 Ų60.49%0.09232%0.315CS..Hα-helixtrans-66.6-46178.1-62.8174.1000110.4I229 L232 Q233 Q270 L271 R272 T277 N278I229-I274 HydrophobicContact CB-CD1 4.45Å; I229-I274 HydrophobicContact CD1-CD1 4.32Å; I229-I274 HydrophobicContact CG1-CD1 4.21Å; I229-I274 HydrophobicContact CG2-CD1 3.47Å; I229-I274 VanDerWaalsContact CG2-CD1 3.47Å; L232-I274 HydrophobicContact CB-CG2 3.95Å; Q233-I274 HydrophobicContact CG-CG2 3.85Å; Q270-I274 WeakPolarHBondContact O-CG1 3.14Å; Q270-I274 PolarHBondContact O-N 3.32Å; Q270-I274 VanDerWaalsContact O-N 3.13Å; L271-I274 WeakPolarHBondContact O-CB 3.42Å; L271-I274 PolarHBondContact O-N 3.02Å; L271-I274 VanDerWaalsContact O-N 3.17Å; R272-I274 VanDerWaalsContact C-N 3.33Å; I274-T277 PolarHBondContact O-N 3.01Å; I274-N278 WeakPolarHBondContact O-CB 3.41Å; I274-N278 PolarHBondContact O-N 2.82Å; I274-N278 PolarHBondContact O-ND2 2.91Å
275I96.6Very high93.1Very high1 Ų159.5 Ų59.51%0.00532%0.321CS..Hα-helixtrans-62.7-45.8174.3-68.4173.2000110.5L232 I244 L271 T277 V279 I280 L294 L297 F445L232-I275 HydrophobicContact CD1-CG1 4.48Å; I244-I275 HydrophobicContact CD1-CD1 4.34Å; I244-I275 HydrophobicContact CD1-CG1 4.39Å; L271-I275 HydrophobicContact CD1-CD1 4.09Å; L271-I275 HydrophobicContact CD1-CG1 4.29Å; L271-I275 HydrophobicContact CD2-CD1 4.23Å; L271-I275 HydrophobicContact CG-CD1 3.83Å; L271-I275 HydrophobicContact CG-CG1 4.38Å; L271-I275 WeakPolarHBondContact O-CG1 3.37Å; L271-I275 PolarHBondContact O-N 3.38Å; I275-T277 VanDerWaalsContact C-N 3.26Å; I275-T277 PolarHBondContact O-N 3.08Å; I275-V279 HydrophobicContact CG2-CB 4.31Å; I275-V279 WeakPolarHBondContact O-CA 3.41Å; I275-V279 VanDerWaalsContact O-CB 3.31Å; I275-V279 WeakPolarHBondContact O-CB 2.64Å; I275-V279 PolarHBondContact O-N 2.91Å; I275-I280 HydrophobicContact CG2-CD1 4.06Å; I275-I280 HydrophobicContact CG2-CG1 4.21Å; I275-I280 PolarHBondContact O-N 2.85Å; I275-L294 HydrophobicContact CG2-CD2 3.53Å; I275-L297 HydrophobicContact CD1-CD2 3.37Å; I275-F445 HydrophobicContact CG2-CD1 4.05Å; I275-F445 HydrophobicContact CG2-CE1 4.16Å
276L95.9Very high93.1Very high13 Ų1359.4 Ų59.47%0.06832%0.321CS..Iπ-helixtrans-56.6-43178.1-178.367.4000111.6R272 S273 I280 R281 F445 T446R272-L276 WeakPolarHBondContact O-CB 3.45Å; R272-L276 PolarHBondContact O-N 3.42Å; S273-L276 PolarHBondContact O-N 3.38Å; L276-I280 HydrophobicContact CD1-CB 4.26Å; L276-I280 HydrophobicContact CD1-CD1 4.38Å; L276-I280 HydrophobicContact CD1-CG2 4.14Å; L276-R281 HydrophobicContact CD1-CG 4.26Å; L276-R281 HydrophobicContact CG-CG 4.43Å; L276-R281 VanDerWaalsContact O-CB 3.23Å; L276-R281 WeakPolarHBondContact O-CB 3.48Å; L276-R281 VanDerWaalsContact O-CG 3.27Å; L276-R281 WeakPolarHBondContact O-CG 3.46Å; L276-R281 PolarHBondContact O-N 3.32Å; L276-F445 HydrophobicContact CD1-CB 4.27Å; L276-F445 WeakPolarHBondContact CD2-O 3.36Å; L276-T446 HydrophobicContact CD1-CG2 4.2Å; L276-T446 HydrophobicContact CD2-CG2 4.28Å
277T95.7Very high92.9Very high78 Ų7861.4 Ų61.448%0.47933%0.331SS..Iπ-helixtrans-81.2-45.9-173.7-54.90000112.7S273 I274 I275S273-T277 WeakPolarHBondContact O-CB 3.12Å; S273-T277 PolarHBondContact O-N 2.9Å; S273-T277 PolarHBondContact O-OG1 2.86Å; I274-T277 PolarHBondContact O-N 3.01Å; I275-T277 VanDerWaalsContact C-N 3.26Å; I275-T277 PolarHBondContact O-N 3.08Å
278N95.8Very high92.5Very high45 Ų4564.5 Ų64.524%0.24134%0.341CS..Iπ-helixtrans-97-14.8-169.6-57.1-74.1000113.9L232 Q240 I274 S282L232-N278 VanDerWaalsContact O-CB 3.26Å; L232-N278 WeakPolarHBondContact O-CB 3.34Å; Q240-N278 PolarHBondContact NE2-O 3.37Å; I274-N278 WeakPolarHBondContact O-CB 3.41Å; I274-N278 PolarHBondContact O-N 2.82Å; I274-N278 PolarHBondContact O-ND2 2.91Å; N278-S282 WeakPolarHBondContact O-CB 3.35Å
279V95.6Very high92Very high3 Ų361.7 Ų61.72%0.01833%0.328CS..Iπ-helixtrans-116.2-63178.7-175.70000110.2I244 I275 S282 M290 L294I244-V279 HydrophobicContact CD1-CG2 4.47Å; I275-V279 HydrophobicContact CG2-CB 4.31Å; I275-V279 WeakPolarHBondContact O-CA 3.41Å; I275-V279 VanDerWaalsContact O-CB 3.31Å; I275-V279 WeakPolarHBondContact O-CB 2.64Å; I275-V279 PolarHBondContact O-N 2.91Å; V279-S282 VanDerWaalsContact O-CB 3.23Å; V279-S282 WeakPolarHBondContact O-CB 3.25Å; V279-S282 PolarHBondContact O-N 3.42Å; V279-M290 HydrophobicContact CG1-CE 3.91Å; V279-M290 HydrophobicContact CG1-CG 3.83Å; V279-M290 HydrophobicContact CG1-SD 3.62Å; V279-M290 HydrophobicContact CG2-CE 4.42Å; V279-L294 HydrophobicContact CG1-CD1 4.07Å
280I94.9Very high92Very high30 Ų3057.1 Ų57.115%0.15431%0.308CS..Iπ-helixtrans-70.2-41.4-170.8-62.1174000112.5I275 L276 L294 F440 P442 F445I275-I280 HydrophobicContact CG2-CD1 4.06Å; I275-I280 HydrophobicContact CG2-CG1 4.21Å; I275-I280 PolarHBondContact O-N 2.85Å; L276-I280 HydrophobicContact CD1-CB 4.26Å; L276-I280 HydrophobicContact CD1-CD1 4.38Å; L276-I280 HydrophobicContact CD1-CG2 4.14Å; I280-L294 HydrophobicContact CG1-CD1 4.23Å; I280-F440 HydrophobicContact CD1-CE2 4.12Å; I280-F440 HydrophobicContact CG1-CE2 4.31Å; I280-P442 HydrophobicContact CG2-CB 4.04Å; I280-F445 HydrophobicContact CD1-CB 3.5Å; I280-F445 HydrophobicContact CD1-CD1 3.9Å; I280-F445 HydrophobicContact CD1-CD2 3.73Å; I280-F445 HydrophobicContact CD1-CE2 4.41Å; I280-F445 HydrophobicContact CD1-CG 3.43Å; I280-F445 VanDerWaalsContact CD1-CG 3.43Å
281R93.9Very high91.9Very high157 Ų15751.7 Ų51.759%0.59228%0.284SS*.THydrogen-bonded Turntrans-9811.9178-63.7178.4176.6176.8-0.8112.8L276L276-R281 HydrophobicContact CD1-CG 4.26Å; L276-R281 HydrophobicContact CG-CG 4.43Å; L276-R281 VanDerWaalsContact O-CB 3.23Å; L276-R281 WeakPolarHBondContact O-CB 3.48Å; L276-R281 VanDerWaalsContact O-CG 3.27Å; L276-R281 WeakPolarHBondContact O-CG 3.46Å; L276-R281 PolarHBondContact O-N 3.32Å
282S92.5Very high91.6Very high34 Ų3452.4 Ų52.424%0.23829%0.288CS..SBendtrans-62.9148.2173.4-171.70000110.4N278 V279 T284N278-S282 WeakPolarHBondContact O-CB 3.35Å; V279-S282 VanDerWaalsContact O-CB 3.23Å; V279-S282 WeakPolarHBondContact O-CB 3.25Å; V279-S282 PolarHBondContact O-N 3.42Å; S282-T284 PolarHBondContact O-N 2.98Å; S282-T284 PolarHBondContact OG-N 3.15Å
283P88.8Confident91.6Very high132 Ų13250.7 Ų50.786%0.85728%0.282SS*.SBendtrans-66.9-22.3170.628.7-36.1000112.7
284T88.4Confident91.7Very high63 Ų6348.3 Ų48.339%0.38727%0.265SS..SBendtrans-75.4127.5178.5-51.50000109.7S282S282-T284 PolarHBondContact O-N 2.98Å; S282-T284 PolarHBondContact OG-N 3.15Å
285P89.2Confident91.7Very high109 Ų10948.7 Ų48.771%0.70827%0.265SS*.PPolyproline II helixtrans-62.7143.617727.4-34.3000110.7Q237 N287Q237-P285 PolarHBondContact NE2-O 2.81Å; P285-N287 PolarHBondContact O-N 2.75Å
286I90.7Very high91.6Very high55 Ų5549.2 Ų49.228%0.28227%0.269SS..PPolyproline II helixtrans-73.9123.2178.1-63.2173.2000108.7M290 A291 L294 F440I286-M290 HydrophobicContact CG2-CB 3.87Å; I286-M290 HydrophobicContact CG2-CG 3.7Å; I286-A291 HydrophobicContact CG2-CB 3.86Å; I286-L294 HydrophobicContact CD1-CD1 4.04Å; I286-F440 HydrophobicContact CD1-CE1 4.4Å; I286-F440 HydrophobicContact CD1-CZ 3.94Å
287N85Confident91.6Very high52 Ų5248.8 Ų48.828%0.27827%0.266SS..PPolyproline II helixtrans-78.3167.3171.971.318.8000111.6Q237 P285 E289 M290 A291Q237-N287 VanDerWaalsContact OE1-CG 3.31Å; Q237-N287 PolarHBondContact OE1-ND2 3.37Å; P285-N287 PolarHBondContact O-N 2.75Å; N287-E289 VanDerWaalsContact C-N 3.34Å; N287-E289 PolarHBondContact O-N 2.82Å; N287-E289 PolarHBondContact OD1-N 3.38Å; N287-M290 PolarHBondContact O-N 2.63Å; N287-M290 WeakPolarHBondContact OD1-CB 3.33Å; N287-M290 PolarHBondContact OD1-N 3.28Å; N287-A291 WeakPolarHBondContact O-CB 3.02Å; N287-A291 PolarHBondContact O-N 2.98Å
288D82.2Confident91.6Very high114 Ų11445.7 Ų45.761%0.6125%0.246SC*.Hα-helixtrans-62.6-38-173.4-66.3-25.2000113.1A291 H292 H438D288-A291 PolarHBondContact O-N 2.78Å; D288-H292 WeakPolarHBondContact O-CB 3.35Å; D288-H292 PolarHBondContact O-N 2.8Å; D288-H438 PolarHBondContact O-ND1 3.48Å
289E83.5Confident91.5Very high68 Ų6844.2 Ų44.232%0.31824%0.239SC..Hα-helixtrans-67.1-44.3178.6-175.457.5-148.400111.1T241 N287 A291 H292 Q293T241-E289 HydrophobicContact CG2-CB 4.24Å; T241-E289 HydrophobicContact CG2-CG 3.53Å; N287-E289 VanDerWaalsContact C-N 3.34Å; N287-E289 PolarHBondContact O-N 2.82Å; N287-E289 PolarHBondContact OD1-N 3.38Å; E289-A291 VanDerWaalsContact C-N 3.34Å; E289-A291 PolarHBondContact O-N 3.5Å; E289-H292 WeakPolarHBondContact O-CB 3.33Å; E289-H292 PolarHBondContact O-N 3.08Å; E289-Q293 WeakPolarHBondContact O-CG 3.4Å; E289-Q293 PolarHBondContact O-N 3.39Å; E289-Q293 PolarHBondContact OE1-NE2 3.2Å
290M91.9Very high91.4Very high0 Ų044.7 Ų44.70%024%0.242CC..Hα-helixtrans-61.7-42.9173.2176.76282.600111.2Q237 Q240 T241 I244 V279 I286 N287 H292 Q293 L294Q237-M290 HydrophobicContact CG-CE 4.14Å; Q240-M290 HydrophobicContact CB-CE 3.45Å; Q240-M290 VanDerWaalsContact CB-CE 3.45Å; T241-M290 VanDerWaalsContact OG1-CE 3.25Å; T241-M290 WeakPolarHBondContact OG1-CE 3.5Å; I244-M290 HydrophobicContact CD1-CE 4.43Å; I244-M290 HydrophobicContact CD1-SD 3.75Å; V279-M290 HydrophobicContact CG1-CE 3.91Å; V279-M290 HydrophobicContact CG1-CG 3.83Å; V279-M290 HydrophobicContact CG1-SD 3.62Å; V279-M290 HydrophobicContact CG2-CE 4.42Å; I286-M290 HydrophobicContact CG2-CB 3.87Å; I286-M290 HydrophobicContact CG2-CG 3.7Å; N287-M290 PolarHBondContact O-N 2.63Å; N287-M290 WeakPolarHBondContact OD1-CB 3.33Å; N287-M290 PolarHBondContact OD1-N 3.28Å; M290-H292 VanDerWaalsContact C-N 3.3Å; M290-H292 PolarHBondContact O-N 3.41Å; M290-Q293 PolarHBondContact O-N 3.17Å; M290-L294 HydrophobicContact CG-CD1 4.29Å; M290-L294 WeakPolarHBondContact O-CG 2.94Å; M290-L294 PolarHBondContact O-N 2.63Å; M290-L294 HydrophobicContact SD-CG 4.32Å
291A90.6Very high91.4Very high11 Ų1146 Ų469%0.09125%0.249CC..Hα-helixtrans-60.4-41.3176.400000111.6I286 N287 D288 E289 L294 Y295 H438 F440I286-A291 HydrophobicContact CG2-CB 3.86Å; N287-A291 WeakPolarHBondContact O-CB 3.02Å; N287-A291 PolarHBondContact O-N 2.98Å; D288-A291 PolarHBondContact O-N 2.78Å; E289-A291 VanDerWaalsContact C-N 3.34Å; E289-A291 PolarHBondContact O-N 3.5Å; A291-L294 PolarHBondContact O-N 3.22Å; A291-Y295 PolarHBondContact O-N 2.71Å; A291-H438 HydrophobicContact CB-CB 4.1Å; A291-F440 HydrophobicContact CB-CE1 4.49Å
292H88.2Confident91.5Very high21 Ų2139.1 Ų39.110%0.09722%0.223CC..Hα-helixtrans-60-49.5173.1177.859.5000111.3D288 E289 M290 L294 Y295 V296 S434 E435 C437D288-H292 WeakPolarHBondContact O-CB 3.35Å; D288-H292 PolarHBondContact O-N 2.8Å; E289-H292 WeakPolarHBondContact O-CB 3.33Å; E289-H292 PolarHBondContact O-N 3.08Å; M290-H292 VanDerWaalsContact C-N 3.3Å; M290-H292 PolarHBondContact O-N 3.41Å; H292-L294 VanDerWaalsContact C-N 3.28Å; H292-L294 PolarHBondContact O-N 2.64Å; H292-Y295 WeakPolarHBondContact O-CB 3.37Å; H292-Y295 PolarHBondContact O-N 2.77Å; H292-Y295 VanDerWaalsContact O-N 3.09Å; H292-V296 WeakPolarHBondContact O-CG2 3.15Å; H292-V296 PolarHBondContact O-N 3.18Å; H292-S434 PolarHBondContact CE1-O 3.01Å; H292-E435 PolarHBondContact CE1-O 3.42Å; H292-C437 PolarHBondContact ND1-O 2.88Å
293Q93.8Very high91.6Very high11 Ų1138.8 Ų38.85%0.05122%0.219CC..Hα-helixtrans-62.2-34.3179.4-64.3-50.6-34.100112.9T241 I244 A245 N248 E289 M290 L297T241-Q293 HydrophobicContact CG2-CG 4.04Å; I244-Q293 HydrophobicContact CB-CB 4.28Å; I244-Q293 HydrophobicContact CG2-CB 3.82Å; A245-Q293 HydrophobicContact CB-CG 4.18Å; N248-Q293 PolarHBondContact ND2-O 2.65Å; N248-Q293 PolarHBondContact ND2-OE1 3.16Å; E289-Q293 WeakPolarHBondContact O-CG 3.4Å; E289-Q293 PolarHBondContact O-N 3.39Å; E289-Q293 PolarHBondContact OE1-NE2 3.2Å; M290-Q293 PolarHBondContact O-N 3.17Å; Q293-L297 WeakPolarHBondContact O-CB 3.46Å; Q293-L297 PolarHBondContact O-N 2.8Å
294L97Very high91.8Very high0 Ų034 Ų340%019%0.186CC..Hα-helixtrans-69.2-39.8172.7-69.3174.5000112.5I244 I275 V279 I280 I286 M290 A291 H292 L297 Q298 F440 F445I244-L294 HydrophobicContact CD1-CD2 4.02Å; I275-L294 HydrophobicContact CG2-CD2 3.53Å; V279-L294 HydrophobicContact CG1-CD1 4.07Å; I280-L294 HydrophobicContact CG1-CD1 4.23Å; I286-L294 HydrophobicContact CD1-CD1 4.04Å; M290-L294 HydrophobicContact CG-CD1 4.29Å; M290-L294 WeakPolarHBondContact O-CG 2.94Å; M290-L294 PolarHBondContact O-N 2.63Å; M290-L294 HydrophobicContact SD-CG 4.32Å; A291-L294 PolarHBondContact O-N 3.22Å; H292-L294 VanDerWaalsContact C-N 3.28Å; H292-L294 PolarHBondContact O-N 2.64Å; L294-L297 PolarHBondContact O-N 3.13Å; L294-Q298 WeakPolarHBondContact O-CB 3.47Å; L294-Q298 PolarHBondContact O-N 2.83Å; L294-F440 HydrophobicContact CB-CD1 4.05Å; L294-F440 HydrophobicContact CB-CD2 4.24Å; L294-F440 HydrophobicContact CB-CE1 4.26Å; L294-F440 HydrophobicContact CB-CE2 4.43Å; L294-F440 HydrophobicContact CB-CG 4.05Å; L294-F440 HydrophobicContact CB-CZ 4.44Å; L294-F440 HydrophobicContact CD1-CD1 4.49Å; L294-F440 HydrophobicContact CD1-CE1 3.86Å; L294-F440 HydrophobicContact CD1-CE2 4.01Å; L294-F440 HydrophobicContact CD1-CZ 3.59Å; L294-F445 HydrophobicContact CD2-CE1 4.4Å; L294-F445 HydrophobicContact CD2-CZ 4.41Å
295Y95.3Very high92.1Very high25 Ų2532.2 Ų32.210%0.09817%0.174CC..Hα-helixtrans-60.3-49.6172.3158.2-99.1000111.2A291 H292 L297 Q298 V299 P433 S434 C437 D439A291-Y295 PolarHBondContact O-N 2.71Å; H292-Y295 WeakPolarHBondContact O-CB 3.37Å; H292-Y295 PolarHBondContact O-N 2.77Å; H292-Y295 VanDerWaalsContact O-N 3.09Å; Y295-L297 VanDerWaalsContact C-N 3.32Å; Y295-L297 PolarHBondContact O-N 2.77Å; Y295-Q298 WeakPolarHBondContact O-CB 3.36Å; Y295-Q298 PolarHBondContact O-N 3.39Å; Y295-Q298 VanDerWaalsContact O-N 3.1Å; Y295-V299 HydrophobicContact CD2-CG2 3.96Å; Y295-V299 HydrophobicContact CE1-CG2 4.27Å; Y295-V299 HydrophobicContact CE2-CG2 3.44Å; Y295-V299 VanDerWaalsContact CE2-CG2 3.44Å; Y295-V299 WeakPolarHBondContact O-CG2 3.03Å; Y295-V299 PolarHBondContact O-N 2.93Å; Y295-P433 HydrophobicContact CE1-CB 4.11Å; Y295-S434 WeakPolarHBondContact CE1-O 2.98Å; Y295-S434 PolarHBondContact OH-N 2.92Å; Y295-S434 VanDerWaalsContact OH-N 3.16Å; Y295-C437 HydrophobicContact CD1-CB 3.85Å; Y295-C437 WeakPolarHBondContact CD1-O 3.48Å; Y295-C437 HydrophobicContact CD2-CB 4.35Å; Y295-C437 HydrophobicContact CE1-CB 3.5Å; Y295-C437 VanDerWaalsContact CE1-CB 3.5Å; Y295-C437 HydrophobicContact CE2-CB 4Å; Y295-C437 VanDerWaalsContact CE2-SG 3.5Å; Y295-C437 HydrophobicContact CG-CB 4.26Å; Y295-D439 WeakPolarHBondContact CD2-O 3.31Å
296V94.2Very high92.4Very high13 Ų1330.5 Ų30.58%0.07916%0.156CC..Hα-helixtrans-56.9-48177.9173.80000110.1N248 H292 Q298 V299 L300 P433N248-V296 HydrophobicContact CB-CG1 3.92Å; H292-V296 WeakPolarHBondContact O-CG2 3.15Å; H292-V296 PolarHBondContact O-N 3.18Å; V296-Q298 VanDerWaalsContact C-N 3.31Å; V296-Q298 PolarHBondContact O-N 3.41Å; V296-V299 PolarHBondContact O-N 3.28Å; V296-L300 HydrophobicContact CG1-CD1 3.93Å; V296-L300 HydrophobicContact CG1-CG 4.35Å; V296-L300 VanDerWaalsContact O-CG 3.29Å; V296-L300 WeakPolarHBondContact O-CG 3.48Å; V296-L300 PolarHBondContact O-N 2.95Å; V296-P433 HydrophobicContact CB-CB 4.35Å; V296-P433 HydrophobicContact CG1-CB 4.16Å; V296-P433 HydrophobicContact CG1-CG 4.13Å; V296-P433 HydrophobicContact CG2-CB 4.05Å
297L96.3Very high92.5Very high3 Ų331.7 Ų31.72%0.01616%0.163CC..Hα-helixtrans-60.8-40.1177.8-178.458.4000112.1I244 N248 I275 Q293 L294 Y295 N301 F445I244-L297 HydrophobicContact CG2-CD2 4.41Å; N248-L297 WeakPolarHBondContact OD1-CA 3.47Å; N248-L297 VanDerWaalsContact OD1-CB 3.31Å; N248-L297 WeakPolarHBondContact OD1-CB 3.23Å; I275-L297 HydrophobicContact CD1-CD2 3.37Å; Q293-L297 WeakPolarHBondContact O-CB 3.46Å; Q293-L297 PolarHBondContact O-N 2.8Å; L294-L297 PolarHBondContact O-N 3.13Å; Y295-L297 VanDerWaalsContact C-N 3.32Å; Y295-L297 PolarHBondContact O-N 2.77Å; L297-N301 WeakPolarHBondContact O-CB 3.29Å; L297-N301 PolarHBondContact O-N 3.47Å; L297-N301 PolarHBondContact O-ND2 3.37Å; L297-F445 HydrophobicContact CD2-CE1 4.15Å
298Q95.9Very high93Very high13 Ų1333.5 Ų33.56%0.06117%0.166CC..Hα-helixtrans-62.8-47176.8-176.8-177.9-81.500111.4L294 Y295 V296 N301 F302 H441 F445L294-Q298 WeakPolarHBondContact O-CB 3.47Å; L294-Q298 PolarHBondContact O-N 2.83Å; Y295-Q298 WeakPolarHBondContact O-CB 3.36Å; Y295-Q298 PolarHBondContact O-N 3.39Å; Y295-Q298 VanDerWaalsContact O-N 3.1Å; V296-Q298 VanDerWaalsContact C-N 3.31Å; V296-Q298 PolarHBondContact O-N 3.41Å; Q298-N301 PolarHBondContact O-N 3.06Å; Q298-F302 HydrophobicContact CG-CD2 4.02Å; Q298-F302 HydrophobicContact CG-CE2 3.47Å; Q298-F302 VanDerWaalsContact CG-CE2 3.47Å; Q298-F302 HydrophobicContact CG-CZ 3.74Å; Q298-F302 WeakPolarHBondContact O-CG 3.49Å; Q298-F302 PolarHBondContact O-N 3.27Å; Q298-H441 PolarHBondContact OE1-O 2.89Å; Q298-F445 HydrophobicContact CB-CE2 4.32Å; Q298-F445 HydrophobicContact CB-CZ 4.28Å
299V94.6Very high93.7Very high15 Ų1528.8 Ų28.89%0.09114%0.141CC..Hα-helixtrans-60.7-46.9177.4173.10000110.9Y295 V296 N301 F302 N303 E431 P433Y295-V299 HydrophobicContact CD2-CG2 3.96Å; Y295-V299 HydrophobicContact CE1-CG2 4.27Å; Y295-V299 HydrophobicContact CE2-CG2 3.44Å; Y295-V299 VanDerWaalsContact CE2-CG2 3.44Å; Y295-V299 WeakPolarHBondContact O-CG2 3.03Å; Y295-V299 PolarHBondContact O-N 2.93Å; V296-V299 PolarHBondContact O-N 3.28Å; V299-N301 VanDerWaalsContact C-N 3.29Å; V299-N301 PolarHBondContact O-N 3.06Å; V299-F302 PolarHBondContact O-N 3.41Å; V299-F302 VanDerWaalsContact O-N 3.13Å; V299-N303 PolarHBondContact O-N 3.46Å; V299-N303 PolarHBondContact O-OD1 3.48Å; V299-E431 VanDerWaalsContact CG1-O 3.22Å; V299-E431 WeakPolarHBondContact CG1-O 3.39Å; V299-P433 HydrophobicContact CB-CB 4.32Å; V299-P433 HydrophobicContact CG1-CB 4.2Å
300L93.6Very high94.3Very high13 Ų1329.9 Ų29.97%0.06815%0.147CC..Hα-helixtrans-59.4-39.9177.5-68.6174.6000112.3N248 F251 L252 V296 N303 L304N248-L300 HydrophobicContact CB-CD1 4.2Å; F251-L300 HydrophobicContact CB-CD1 4.16Å; F251-L300 HydrophobicContact CD1-CB 3.85Å; F251-L300 HydrophobicContact CD1-CD1 4.18Å; F251-L300 HydrophobicContact CE1-CB 3.88Å; F251-L300 HydrophobicContact CG-CB 4.44Å; F251-L300 HydrophobicContact CG-CD1 4.34Å; F251-L300 HydrophobicContact CZ-CB 4.48Å; L252-L300 HydrophobicContact CB-CD2 4.34Å; L252-L300 HydrophobicContact CD1-CD2 3.94Å; V296-L300 HydrophobicContact CG1-CD1 3.93Å; V296-L300 HydrophobicContact CG1-CG 4.35Å; V296-L300 VanDerWaalsContact O-CG 3.29Å; V296-L300 WeakPolarHBondContact O-CG 3.48Å; V296-L300 PolarHBondContact O-N 2.95Å; L300-N303 PolarHBondContact O-N 3.37Å; L300-L304 PolarHBondContact O-N 3.49Å
301N94.2Very high94.6Very high58 Ų5832.2 Ų32.231%0.3116%0.161SC..Hα-helixtrans-66.9-39.6175.3-78.3-53.1000112.5L297 Q298 V299 N303 L304L297-N301 WeakPolarHBondContact O-CB 3.29Å; L297-N301 PolarHBondContact O-N 3.47Å; L297-N301 PolarHBondContact O-ND2 3.37Å; Q298-N301 PolarHBondContact O-N 3.06Å; V299-N301 VanDerWaalsContact C-N 3.29Å; V299-N301 PolarHBondContact O-N 3.06Å; N301-N303 VanDerWaalsContact C-N 3.34Å; N301-L304 WeakPolarHBondContact O-CB 3.28Å; N301-L304 PolarHBondContact O-N 3.48Å
302F95.5Very high94.9Very high11 Ų1137.6 Ų37.65%0.04818%0.183CC..Hα-helixtrans-66-37174.8-69.6-26.3000112.3Q298 V299 L304 L305 L427 V429 F444Q298-F302 HydrophobicContact CG-CD2 4.02Å; Q298-F302 HydrophobicContact CG-CE2 3.47Å; Q298-F302 VanDerWaalsContact CG-CE2 3.47Å; Q298-F302 HydrophobicContact CG-CZ 3.74Å; Q298-F302 WeakPolarHBondContact O-CG 3.49Å; Q298-F302 PolarHBondContact O-N 3.27Å; V299-F302 PolarHBondContact O-N 3.41Å; V299-F302 VanDerWaalsContact O-N 3.13Å; F302-L304 PolarHBondContact O-N 3.39Å; F302-L304 VanDerWaalsContact O-N 3.16Å; F302-L305 WeakPolarHBondContact O-CB 3.49Å; F302-L305 WeakPolarHBondContact O-CG 3.3Å; F302-L305 PolarHBondContact O-N 2.97Å; F302-L427 HydrophobicContact CD2-CB 4.2Å; F302-L427 HydrophobicContact CE1-CD1 4.31Å; F302-L427 HydrophobicContact CE2-CB 4.14Å; F302-L427 HydrophobicContact CE2-CD1 4.39Å; F302-L427 HydrophobicContact CE2-CD2 4.08Å; F302-L427 HydrophobicContact CE2-CG 4.43Å; F302-L427 HydrophobicContact CZ-CD1 4.11Å; F302-L427 HydrophobicContact CZ-CD2 4.21Å; F302-V429 HydrophobicContact CB-CG2 4.27Å; F302-F444 HydrophobicContact CE1-CB 4.46Å; F302-F444 AromaticContact CE1-CD1 3.96Å; F302-F444 HydrophobicContact CE1-CD1 3.96Å; F302-F444 HydrophobicContact CE1-CD2 4.35Å; F302-F444 HydrophobicContact CE1-CE1 4.27Å; F302-F444 HydrophobicContact CE1-CG 4.02Å; F302-F444 HydrophobicContact CZ-CB 4.31Å; F302-F444 AromaticContact CZ-CD1 3.97Å; F302-F444 HydrophobicContact CZ-CD1 3.97Å; F302-F444 AromaticContact CZ-CD2 3.58Å; F302-F444 HydrophobicContact CZ-CD2 3.58Å; F302-F444 HydrophobicContact CZ-CE1 4.15Å; F302-F444 AromaticContact CZ-CE2 3.75Å; F302-F444 HydrophobicContact CZ-CE2 3.75Å; F302-F444 AromaticContact CZ-CG 3.69Å; F302-F444 HydrophobicContact CZ-CG 3.69Å; F302-F444 HydrophobicContact CZ-CZ 4.03Å
303N94.3Very high95.3Very high28 Ų2836.8 Ų36.815%0.1518%0.179CC..Hα-helixtrans-67.2-15.3179.5-67-6.8000113.4V299 L300 N301 L305 E306 G430 E431V299-N303 PolarHBondContact O-N 3.46Å; V299-N303 PolarHBondContact O-OD1 3.48Å; L300-N303 PolarHBondContact O-N 3.37Å; N301-N303 VanDerWaalsContact C-N 3.34Å; N303-L305 PolarHBondContact O-N 2.86Å; N303-E306 VanDerWaalsContact O-CB 3.26Å; N303-E306 WeakPolarHBondContact O-CB 3.06Å; N303-E306 PolarHBondContact O-N 3.01Å; N303-E306 VanDerWaalsContact O-N 3.13Å; N303-G430 WeakPolarHBondContact OD1-CA 3.36Å; N303-G430 PolarHBondContact OD1-N 3.2Å; N303-E431 PolarHBondContact ND2-O 3.32Å
304L93.4Very high95.3Very high32 Ų3240 Ų4017%0.16820%0.197CC..THydrogen-bonded Turntrans-61.6-22.5167.5-66.3172000113.2F251 R259 Q260 A263 L300 N301 F302F251-L304 HydrophobicContact CE2-CD2 3.8Å; F251-L304 HydrophobicContact CE2-CG 4.38Å; F251-L304 HydrophobicContact CZ-CD1 3.81Å; F251-L304 HydrophobicContact CZ-CD2 3.64Å; F251-L304 HydrophobicContact CZ-CG 3.74Å; R259-L304 HydrophobicContact CB-CD2 4.31Å; Q260-L304 PolarHBondContact NE2-O 3.26Å; A263-L304 HydrophobicContact CB-CD1 3.36Å; A263-L304 HydrophobicContact CB-CD2 3.98Å; A263-L304 HydrophobicContact CB-CG 4.31Å; L300-L304 PolarHBondContact O-N 3.49Å; N301-L304 WeakPolarHBondContact O-CB 3.28Å; N301-L304 PolarHBondContact O-N 3.48Å; F302-L304 PolarHBondContact O-N 3.39Å; F302-L304 VanDerWaalsContact O-N 3.16Å
305L95.3Very high95Very high24 Ų2441.5 Ų41.513%0.12621%0.206CC..THydrogen-bonded Turntrans-82-17178.4-53.8172.3000112F302 N303 D307 R308 M309 L378 V429 F451F302-L305 WeakPolarHBondContact O-CB 3.49Å; F302-L305 WeakPolarHBondContact O-CG 3.3Å; F302-L305 PolarHBondContact O-N 2.97Å; N303-L305 PolarHBondContact O-N 2.86Å; L305-D307 PolarHBondContact O-N 3.22Å; L305-R308 PolarHBondContact O-N 3.49Å; L305-M309 WeakPolarHBondContact O-CB 3Å; L305-M309 PolarHBondContact O-N 3.4Å; L305-L378 HydrophobicContact CB-CD1 4.44Å; L305-L378 HydrophobicContact CB-CD2 4.14Å; L305-L378 HydrophobicContact CD2-CD1 4.19Å; L305-V429 HydrophobicContact CB-CG1 4.1Å; L305-F451 HydrophobicContact CD1-CB 3.92Å; L305-F451 HydrophobicContact CD1-CD1 3.69Å; L305-F451 HydrophobicContact CD1-CD2 3.63Å; L305-F451 HydrophobicContact CD1-CE1 4.05Å; L305-F451 HydrophobicContact CD1-CE2 4.01Å; L305-F451 HydrophobicContact CD1-CG 3.46Å; L305-F451 VanDerWaalsContact CD1-CG 3.46Å; L305-F451 HydrophobicContact CD1-CZ 4.21Å; L305-F451 HydrophobicContact CD2-CD1 4.49Å
306E94.6Very high94.9Very high73 Ų7347.8 Ų47.834%0.34124%0.236SC..Hα-helixtrans-59.9-43.9-173.9-175.3-178.5-163.600112N303 R308 M309 M310 V429 G430N303-E306 VanDerWaalsContact O-CB 3.26Å; N303-E306 WeakPolarHBondContact O-CB 3.06Å; N303-E306 PolarHBondContact O-N 3.01Å; N303-E306 VanDerWaalsContact O-N 3.13Å; E306-R308 VanDerWaalsContact C-N 3.33Å; E306-R308 PolarHBondContact O-N 3.39Å; E306-M309 HydrophobicContact CG-CE 4.12Å; E306-M309 CarbonylContact O-C 3.21Å; E306-M309 WeakPolarHBondContact O-CA 3.42Å; E306-M309 WeakPolarHBondContact O-CB 3.48Å; E306-M309 PolarHBondContact O-N 2.95Å; E306-M309 VanDerWaalsContact O-N 3.08Å; E306-M310 HydrophobicContact CG-CG 4.2Å; E306-M310 WeakPolarHBondContact O-CB 3.37Å; E306-M310 WeakPolarHBondContact O-CG 3.35Å; E306-M310 PolarHBondContact O-N 2.7Å; E306-V429 HydrophobicContact CB-CG1 4.34Å; E306-G430 VanDerWaalsContact CD-CA 3.47Å
307D92.9Very high94.9Very high80 Ų8049.8 Ų49.843%0.42825%0.247SC..Hα-helixtrans-55.3-49.2177.6174.261.7000111.2L305 M309 M310 T311L305-D307 PolarHBondContact O-N 3.22Å; D307-M309 VanDerWaalsContact C-N 3.35Å; D307-M309 PolarHBondContact O-N 2.86Å; D307-M310 PolarHBondContact O-N 3.42Å; D307-T311 WeakPolarHBondContact O-CB 3.29Å; D307-T311 PolarHBondContact O-N 3.41Å; D307-T311 PolarHBondContact O-OG1 3.17Å
308R95.8Very high94.7Very high91 Ų9154.5 Ų54.534%0.34327%0.268SS..Hα-helixtrans-68.3-34.2177.2-61.8-62.4-65.7-151.80.2112.4L305 E306 M310 M377 L378 D381L305-R308 PolarHBondContact O-N 3.49Å; E306-R308 VanDerWaalsContact C-N 3.33Å; E306-R308 PolarHBondContact O-N 3.39Å; R308-M310 VanDerWaalsContact C-N 3.3Å; R308-M310 PolarHBondContact O-N 2.95Å; R308-M377 PolarHBondContact O-N 2.63Å; R308-L378 HydrophobicContact CB-CB 4.12Å; R308-L378 HydrophobicContact CB-CD1 4.36Å; R308-L378 PolarHBondContact O-N 3.39Å; R308-L378 VanDerWaalsContact O-N 3.09Å; R308-D381 IonicContact CZ-OD1 2.94Å; R308-D381 IonicContact CZ-OD2 3.83Å; R308-D381 IonicContact NE-OD2 2.6Å; R308-D381 PolarHBondContact NE-OD2 2.97Å; R308-D381 IonicContact NH2-OD1 2.88Å; R308-D381 PolarHBondContact NH2-OD1 3.43Å; R308-D381 IonicContact NH2-OD2 2.76Å; R308-D381 PolarHBondContact NH2-OD2 3.16Å
309M97.3Very high94.6Very high15 Ų1556.9 Ų56.97%0.07429%0.29CS..Hα-helixtrans-64.8-35.2176.4-175.3-176.86700112L305 E306 D307 P374 P375 G376 L378 C424 V429L305-M309 WeakPolarHBondContact O-CB 3Å; L305-M309 PolarHBondContact O-N 3.4Å; E306-M309 HydrophobicContact CG-CE 4.12Å; E306-M309 CarbonylContact O-C 3.21Å; E306-M309 WeakPolarHBondContact O-CA 3.42Å; E306-M309 WeakPolarHBondContact O-CB 3.48Å; E306-M309 PolarHBondContact O-N 2.95Å; E306-M309 VanDerWaalsContact O-N 3.08Å; D307-M309 VanDerWaalsContact C-N 3.35Å; D307-M309 PolarHBondContact O-N 2.86Å; M309-P374 HydrophobicContact CG-CB 3.81Å; M309-P374 HydrophobicContact SD-CB 4.1Å; M309-P375 CarbonylContact C-O 3.56Å; M309-P375 VanDerWaalsContact CA-O 3.29Å; M309-P375 WeakPolarHBondContact CA-O 3.49Å; M309-P375 CarbonylContact O-C 3.54Å; M309-P375 VanDerWaalsContact O-O 3.09Å; M309-G376 PolarHBondContact O-N 3.14Å; M309-L378 HydrophobicContact CB-CB 4.44Å; M309-L378 HydrophobicContact CB-CD2 3.96Å; M309-L378 HydrophobicContact CG-CD2 4.42Å; M309-C424 HydrophobicContact SD-CB 3.55Å; M309-C424 VanDerWaalsContact SD-CB 3.55Å; M309-C424 VanDerWaalsContact SD-SG 3.68Å; M309-V429 HydrophobicContact CE-CG1 4.14Å; M309-V429 HydrophobicContact SD-CB 4.26Å; M309-V429 HydrophobicContact SD-CG1 4.05Å
310M96.3Very high94.5Very high90 Ų9058 Ų5844%0.44329%0.294SS..Hα-helixtrans-98.5-7.9-176.5-62.3-58.1-77.800113.3E306 D307 R308 K312 I373E306-M310 HydrophobicContact CG-CG 4.2Å; E306-M310 WeakPolarHBondContact O-CB 3.37Å; E306-M310 WeakPolarHBondContact O-CG 3.35Å; E306-M310 PolarHBondContact O-N 2.7Å; D307-M310 PolarHBondContact O-N 3.42Å; R308-M310 VanDerWaalsContact C-N 3.3Å; R308-M310 PolarHBondContact O-N 2.95Å; M310-K312 PolarHBondContact O-N 3.49Å; M310-I373 HydrophobicContact CE-CD1 4.07Å; M310-I373 HydrophobicContact SD-CB 4.47Å
311T96.9Very high94.5Very high49 Ų4962.3 Ų62.330%0.30131%0.31SS..PPolyproline II helixtrans-78.1119.1173.2-64.40000110.5D307 G376 M377D307-T311 WeakPolarHBondContact O-CB 3.29Å; D307-T311 PolarHBondContact O-N 3.41Å; D307-T311 PolarHBondContact O-OG1 3.17Å; T311-G376 CarbonylContact O-C 3.6Å; T311-G376 VanDerWaalsContact O-CA 3.31Å; T311-G376 WeakPolarHBondContact O-CA 3.31Å; T311-M377 HydrophobicContact CG2-CB 4.39Å; T311-M377 HydrophobicContact CG2-CG 3.76Å; T311-M377 WeakPolarHBondContact O-CG 3.47Å; T311-M377 PolarHBondContact O-N 2.88Å
312K97.3Very high94.5Very high125 Ų12563.3 Ų63.354%0.54332%0.315SS..PPolyproline II helixtrans-76.5142.8170.7-63.8-177.4177.3178.30110.3M310 T371 I373M310-K312 PolarHBondContact O-N 3.49Å; K312-T371 VanDerWaalsContact CD-O 3.3Å; K312-T371 WeakPolarHBondContact CD-O 3.22Å; K312-T371 WeakPolarHBondContact CE-O 3.32Å; K312-T371 WeakPolarHBondContact CG-O 3.47Å; K312-I373 HydrophobicContact CG-CD1 4.4Å; K312-I373 HydrophobicContact CG-CG1 4.48Å; K312-I373 HydrophobicContact CG-CG2 3.72Å
313M96.1Very high94.5Very high4 Ų464.9 Ų64.92%0.0232%0.324CS..PPolyproline II helixtrans-67.2138.8166.7-165.2178.2-176.200110.5P315 Q320 R321 I324 A367 F370 M377 L380M313-P315 WeakPolarHBondContact O-CD 3.29Å; M313-Q320 HydrophobicContact CE-CB 3.47Å; M313-Q320 VanDerWaalsContact CE-CB 3.47Å; M313-Q320 WeakPolarHBondContact CE-O 3.41Å; M313-Q320 HydrophobicContact CG-CB 4.14Å; M313-R321 HydrophobicContact CE-CG 4.4Å; M313-I324 HydrophobicContact CE-CD1 3.52Å; M313-I324 HydrophobicContact CE-CG1 3.96Å; M313-I324 HydrophobicContact SD-CD1 3.75Å; M313-A367 HydrophobicContact CE-CB 3.76Å; M313-A367 HydrophobicContact CG-CB 4.4Å; M313-A367 VanDerWaalsContact SD-CA 3.5Å; M313-A367 HydrophobicContact SD-CB 3.51Å; M313-A367 VanDerWaalsContact SD-CB 3.51Å; M313-F370 HydrophobicContact CB-CB 3.57Å; M313-F370 HydrophobicContact CG-CB 4.34Å; M313-F370 PolarHBondContact N-O 3.25Å; M313-F370 VanDerWaalsContact N-O 3.09Å; M313-F370 HydrophobicContact SD-CB 3.92Å; M313-F370 HydrophobicContact SD-CD2 3.77Å; M313-F370 HydrophobicContact SD-CG 4.16Å; M313-M377 VanDerWaalsContact CA-SD 3.55Å; M313-M377 HydrophobicContact CB-SD 3.44Å; M313-M377 WeakPolarHBondContact CB-SD 3.2Å; M313-M377 HydrophobicContact CG-SD 3.58Å; M313-M377 VanDerWaalsContact CG-SD 3.58Å; M313-M377 HydrophobicContact SD-SD 4.44Å; M313-L380 HydrophobicContact CE-CD2 4.16Å; M313-L380 HydrophobicContact SD-CD2 4.2Å
314D94.5Very high94.5Very high79 Ų7963.7 Ų63.742%0.42232%0.317SS..  trans-88.3112.2166.2-178.9-4.3000109Q316 D317D314-Q316 PolarHBondContact O-N 2.85Å; D314-Q316 VanDerWaalsContact O-N 3.09Å; D314-Q316 WeakPolarHBondContact OD1-CB 3.48Å; D314-Q316 PolarHBondContact OD1-N 3.4Å; D314-D317 HydrophobicContact CB-CB 3.91Å; D314-D317 PolarHBondContact O-N 3.2Å; D314-D317 VanDerWaalsContact O-N 3.12Å
315P91.9Very high94.5Very high30 Ų3065.3 Ų65.320%0.19532%0.323CS..THydrogen-bonded Turntrans-66.3-9.7-179.9-19.934000114.8M313 R321 A367 V368 T371M313-P315 WeakPolarHBondContact O-CD 3.29Å; P315-R321 WeakPolarHBondContact O-CD 3.49Å; P315-A367 HydrophobicContact CB-CB 3.96Å; P315-A367 HydrophobicContact CG-CB 4.46Å; P315-V368 HydrophobicContact CG-CG2 4.48Å; P315-T371 HydrophobicContact CG-CG2 3.9Å
316Q92Very high94.5Very high158 Ų15866.4 Ų66.474%0.73833%0.327SS*.THydrogen-bonded Turntrans-96.7-16.7176-57.2-59.7-26.600112.9D314 Q318D314-Q316 PolarHBondContact O-N 2.85Å; D314-Q316 VanDerWaalsContact O-N 3.09Å; D314-Q316 WeakPolarHBondContact OD1-CB 3.48Å; D314-Q316 PolarHBondContact OD1-N 3.4Å; Q316-Q318 PolarHBondContact O-N 3.12Å
317D94.1Very high94.5Very high55 Ų5563 Ų6329%0.29431%0.311SS..  trans-71.6116178.9-176.2-22.1000110.4D314 A319 Q320 R321D314-D317 HydrophobicContact CB-CB 3.91Å; D314-D317 PolarHBondContact O-N 3.2Å; D314-D317 VanDerWaalsContact O-N 3.12Å; D317-A319 PolarHBondContact O-N 3.39Å; D317-A319 WeakPolarHBondContact OD1-CB 3.32Å; D317-A319 PolarHBondContact OD1-N 2.65Å; D317-Q320 HydrophobicContact CB-CB 4.21Å; D317-Q320 HydrophobicContact CB-CG 4.01Å; D317-Q320 PolarHBondContact O-N 3.1Å; D317-Q320 PolarHBondContact OD1-N 3.2Å; D317-Q320 WeakPolarHBondContact OD2-CG 3.44Å; D317-Q320 PolarHBondContact OD2-NE2 2.83Å; D317-R321 VanDerWaalsContact O-CG 3.23Å; D317-R321 WeakPolarHBondContact O-CG 3.47Å; D317-R321 PolarHBondContact O-N 3.23Å; D317-R321 VanDerWaalsContact O-N 3.15Å
318Q92.9Very high94.6Very high101 Ų10159.5 Ų59.547%0.47229%0.293SS..Hα-helixtrans-65-38.9-178.8-172.458.346.500112.4Q316 Q320 R321 D322Q316-Q318 PolarHBondContact O-N 3.12Å; Q318-Q320 VanDerWaalsContact C-N 3.33Å; Q318-Q320 PolarHBondContact O-N 3.23Å; Q318-R321 PolarHBondContact O-N 3.04Å; Q318-D322 PolarHBondContact NE2-OD1 3.22Å; Q318-D322 PolarHBondContact O-N 3.15Å
319A93.8Very high94.5Very high63 Ų6360.1 Ų60.152%0.52130%0.295SS..Hα-helixtrans-65.9-38-177.700000111.5D317 D322D317-A319 PolarHBondContact O-N 3.39Å; D317-A319 WeakPolarHBondContact OD1-CB 3.32Å; D317-A319 PolarHBondContact OD1-N 2.65Å; A319-D322 PolarHBondContact O-N 2.68Å
320Q92.2Very high94.4Very high38 Ų3859.7 Ų59.718%0.17829%0.293CS..Hα-helixtrans-68.7-41.1175.3-61.5178.125.200111M313 D317 Q318 D322 I323 M377M313-Q320 HydrophobicContact CE-CB 3.47Å; M313-Q320 VanDerWaalsContact CE-CB 3.47Å; M313-Q320 WeakPolarHBondContact CE-O 3.41Å; M313-Q320 HydrophobicContact CG-CB 4.14Å; D317-Q320 HydrophobicContact CB-CB 4.21Å; D317-Q320 HydrophobicContact CB-CG 4.01Å; D317-Q320 PolarHBondContact O-N 3.1Å; D317-Q320 PolarHBondContact OD1-N 3.2Å; D317-Q320 WeakPolarHBondContact OD2-CG 3.44Å; D317-Q320 PolarHBondContact OD2-NE2 2.83Å; Q318-Q320 VanDerWaalsContact C-N 3.33Å; Q318-Q320 PolarHBondContact O-N 3.23Å; Q320-D322 VanDerWaalsContact C-N 3.27Å; Q320-D322 PolarHBondContact O-N 3.47Å; Q320-I323 WeakPolarHBondContact O-CB 3.08Å; Q320-I323 PolarHBondContact O-N 2.93Å; Q320-I323 VanDerWaalsContact O-N 3.16Å; Q320-M377 HydrophobicContact CB-CE 4.39Å; Q320-M377 HydrophobicContact CG-CE 4.01Å
321R93.1Very high94.1Very high105 Ų10555.6 Ų55.640%0.39627%0.273SS..Hα-helixtrans-64-32.6175.7-68.2172.175.3-141.7-1.3112.7M313 P315 D317 Q318 I323 I324 F325M313-R321 HydrophobicContact CE-CG 4.4Å; P315-R321 WeakPolarHBondContact O-CD 3.49Å; D317-R321 VanDerWaalsContact O-CG 3.23Å; D317-R321 WeakPolarHBondContact O-CG 3.47Å; D317-R321 PolarHBondContact O-N 3.23Å; D317-R321 VanDerWaalsContact O-N 3.15Å; Q318-R321 PolarHBondContact O-N 3.04Å; R321-I323 PolarHBondContact O-N 2.91Å; R321-I324 PolarHBondContact O-N 2.63Å; R321-I324 VanDerWaalsContact O-N 3.15Å; R321-F325 PolarHBondContact O-N 3.32Å
322D94.2Very high93.8Very high79 Ų7954.9 Ų54.942%0.42227%0.266SS..Hα-helixtrans-63.2-29176.2-68.4-20.5000111.7Q318 A319 Q320 F325 E326Q318-D322 PolarHBondContact NE2-OD1 3.22Å; Q318-D322 PolarHBondContact O-N 3.15Å; A319-D322 PolarHBondContact O-N 2.68Å; Q320-D322 VanDerWaalsContact C-N 3.27Å; Q320-D322 PolarHBondContact O-N 3.47Å; D322-F325 PolarHBondContact O-N 3.17Å; D322-E326 WeakPolarHBondContact O-CB 3.04Å; D322-E326 PolarHBondContact O-N 3.28Å
323I95.1Very high93Very high43 Ų4351.5 Ų51.522%0.22125%0.254CS..Hα-helixtrans-66.3-43.5173.4-57.8169.5000111Q320 R321 F325 E326 L327 L380 L384Q320-I323 WeakPolarHBondContact O-CB 3.08Å; Q320-I323 PolarHBondContact O-N 2.93Å; Q320-I323 VanDerWaalsContact O-N 3.16Å; R321-I323 PolarHBondContact O-N 2.91Å; I323-F325 VanDerWaalsContact C-N 3.32Å; I323-E326 WeakPolarHBondContact O-CB 3.5Å; I323-E326 PolarHBondContact O-N 3.42Å; I323-L327 PolarHBondContact O-N 3.42Å; I323-L380 HydrophobicContact CB-CD2 4.12Å; I323-L380 HydrophobicContact CB-CG 4.44Å; I323-L380 HydrophobicContact CD1-CD2 4.41Å; I323-L380 HydrophobicContact CG2-CD1 3.9Å; I323-L380 HydrophobicContact CG2-CD2 3.99Å; I323-L380 HydrophobicContact CG2-CG 3.76Å; I323-L384 HydrophobicContact CG2-CB 4.25Å; I323-L384 HydrophobicContact CG2-CD1 4.08Å; I323-L384 HydrophobicContact CG2-CD2 3.77Å; I323-L384 HydrophobicContact CG2-CG 4.24Å
324I95.1Very high91.3Very high3 Ų355.7 Ų55.72%0.01528%0.279CS..Hα-helixtrans-65.5-40175.4-57.4-179.1000110.5M313 R321 E326 L327 R328 Y355 F360 P366 A367 F370 L380M313-I324 HydrophobicContact CE-CD1 3.52Å; M313-I324 HydrophobicContact CE-CG1 3.96Å; M313-I324 HydrophobicContact SD-CD1 3.75Å; R321-I324 PolarHBondContact O-N 2.63Å; R321-I324 VanDerWaalsContact O-N 3.15Å; I324-E326 VanDerWaalsContact C-N 3.28Å; I324-E326 PolarHBondContact O-N 2.85Å; I324-L327 WeakPolarHBondContact O-CB 3.46Å; I324-L327 PolarHBondContact O-N 3.17Å; I324-R328 PolarHBondContact O-N 3.45Å; I324-R328 VanDerWaalsContact O-N 3.12Å; I324-Y355 HydrophobicContact CG2-CD1 4.34Å; I324-Y355 HydrophobicContact CG2-CE1 3.82Å; I324-F360 HydrophobicContact CG2-CE2 4.25Å; I324-F360 HydrophobicContact CG2-CZ 4.19Å; I324-P366 HydrophobicContact CD1-CB 4.32Å; I324-P366 HydrophobicContact CD1-CG 4.18Å; I324-P366 HydrophobicContact CG2-CB 4.24Å; I324-P366 HydrophobicContact CG2-CG 3.71Å; I324-A367 HydrophobicContact CD1-CB 4.06Å; I324-F370 HydrophobicContact CD1-CD2 4.02Å; I324-F370 HydrophobicContact CD1-CE2 3.79Å; I324-F370 HydrophobicContact CG1-CE2 4.23Å; I324-L380 HydrophobicContact CG1-CD1 3.84Å; I324-L380 HydrophobicContact CG1-CD2 4.3Å
325F93.6Very high89.2Confident67 Ų6760.7 Ų60.729%0.29430%0.3SS..Hα-helixtrans-60.7-41.3175179.3-98.3000111.3R321 D322 I323 L327 R328 R329 Y351R321-F325 PolarHBondContact O-N 3.32Å; D322-F325 PolarHBondContact O-N 3.17Å; I323-F325 VanDerWaalsContact C-N 3.32Å; F325-L327 PolarHBondContact O-N 2.98Å; F325-R328 WeakPolarHBondContact O-CB 3.38Å; F325-R328 PolarHBondContact O-N 3.5Å; F325-R329 WeakPolarHBondContact O-CB 3.38Å; F325-R329 PolarHBondContact O-N 3.49Å; F325-Y351 HydrophobicContact CE2-CE1 4.11Å
326E95.3Very high87Confident46 Ų4663.1 Ų63.122%0.21532%0.318CS..Hα-helixtrans-62-42.5176.5-177.562.5-174.700112D322 I323 I324 R328 R329 I330 L384D322-E326 WeakPolarHBondContact O-CB 3.04Å; D322-E326 PolarHBondContact O-N 3.28Å; I323-E326 WeakPolarHBondContact O-CB 3.5Å; I323-E326 PolarHBondContact O-N 3.42Å; I324-E326 VanDerWaalsContact C-N 3.28Å; I324-E326 PolarHBondContact O-N 2.85Å; E326-R328 VanDerWaalsContact C-N 3.29Å; E326-R328 PolarHBondContact O-N 2.89Å; E326-R329 PolarHBondContact O-N 3.06Å; E326-R329 IonicContact OE1-CZ 3.58Å; E326-R329 IonicContact OE1-NE 3.01Å; E326-R329 IonicContact OE1-NH2 3.55Å; E326-R329 PolarHBondContact OE1-NH2 3.47Å; E326-R329 IonicContact OE2-CZ 2.75Å; E326-R329 IonicContact OE2-NE 3.42Å; E326-R329 PolarHBondContact OE2-NE 3.43Å; E326-R329 IonicContact OE2-NH2 2.69Å; E326-R329 PolarHBondContact OE2-NH2 2.94Å; E326-I330 HydrophobicContact CG-CD1 3.99Å; E326-I330 HydrophobicContact CG-CG1 4.48Å; E326-I330 VanDerWaalsContact O-CG1 3.29Å; E326-I330 WeakPolarHBondContact O-CG1 3.47Å; E326-I330 PolarHBondContact O-N 3.07Å; E326-L384 HydrophobicContact CG-CD1 4.15Å
327L95.4Very high84.7Confident1 Ų163.8 Ų63.81%0.00532%0.321CS..Hα-helixtrans-55.8-45.3172.4-72.9174.9000112I323 I324 F325 A331 L380 M383 L384 A387 Y394I323-L327 PolarHBondContact O-N 3.42Å; I324-L327 WeakPolarHBondContact O-CB 3.46Å; I324-L327 PolarHBondContact O-N 3.17Å; F325-L327 PolarHBondContact O-N 2.98Å; L327-A331 PolarHBondContact O-N 3.49Å; L327-L380 HydrophobicContact CD1-CD1 3.69Å; L327-M383 HydrophobicContact CD1-CB 3.9Å; L327-M383 HydrophobicContact CD1-CE 4.03Å; L327-M383 HydrophobicContact CD2-CB 4.11Å; L327-M383 WeakPolarHBondContact CD2-O 3.3Å; L327-L384 HydrophobicContact CD2-CB 4.46Å; L327-L384 HydrophobicContact CD2-CD1 4.35Å; L327-A387 HydrophobicContact CD2-CB 3.64Å; L327-Y394 PolarHBondContact O-OH 3.39Å
328R94.6Very high82.5Confident8 Ų867.1 Ų67.13%0.0335%0.346CS..Hα-helixtrans-65.7-42.2178178.3-93164-145.7-15.4111.6I324 F325 E326 A331 F332 D333 D354 Y355 L358I324-R328 PolarHBondContact O-N 3.45Å; I324-R328 VanDerWaalsContact O-N 3.12Å; F325-R328 WeakPolarHBondContact O-CB 3.38Å; F325-R328 PolarHBondContact O-N 3.5Å; E326-R328 VanDerWaalsContact C-N 3.29Å; E326-R328 PolarHBondContact O-N 2.89Å; R328-A331 PolarHBondContact O-N 3.14Å; R328-F332 HydrophobicContact CG-CD2 4.05Å; R328-F332 HydrophobicContact CG-CE2 4.45Å; R328-F332 WeakPolarHBondContact O-CD2 3.14Å; R328-F332 PolarHBondContact O-N 3.03Å; R328-F332 VanDerWaalsContact O-N 3.09Å; R328-D333 IonicContact CZ-OD1 3.25Å; R328-D333 VanDerWaalsContact CZ-OD1 3.25Å; R328-D333 IonicContact CZ-OD2 3.81Å; R328-D333 IonicContact NH1-OD1 2.81Å; R328-D333 PolarHBondContact NH1-OD1 2.95Å; R328-D333 IonicContact NH1-OD2 2.7Å; R328-D333 PolarHBondContact NH1-OD2 2.93Å; R328-D333 IonicContact NH2-OD1 2.77Å; R328-D333 PolarHBondContact NH2-OD1 2.84Å; R328-D354 HydrophobicContact CG-CB 3.9Å; R328-D354 IonicContact CZ-OD2 2.82Å; R328-D354 IonicContact NE-OD2 3.51Å; R328-D354 PolarHBondContact NE-OD2 3.34Å; R328-D354 IonicContact NH2-OD2 3.14Å; R328-D354 PolarHBondContact NH2-OD2 3.5Å; R328-Y355 HydrophobicContact CB-CD1 4.38Å; R328-Y355 HydrophobicContact CB-CE1 3.77Å; R328-Y355 HydrophobicContact CG-CD1 4.38Å; R328-Y355 HydrophobicContact CG-CE1 3.94Å; R328-L358 HydrophobicContact CB-CD1 3.78Å; R328-L358 HydrophobicContact CG-CD1 4.11Å
329R93.6Very high80.5Confident103 Ų10369.8 Ų69.839%0.38936%0.363SS..Hα-helixtrans-61.5-48.6177.5-169.2-169.270.175.20.9111.1F325 E326 A331 F332 D333F325-R329 WeakPolarHBondContact O-CB 3.38Å; F325-R329 PolarHBondContact O-N 3.49Å; E326-R329 PolarHBondContact O-N 3.06Å; E326-R329 IonicContact OE1-CZ 3.58Å; E326-R329 IonicContact OE1-NE 3.01Å; E326-R329 IonicContact OE1-NH2 3.55Å; E326-R329 PolarHBondContact OE1-NH2 3.47Å; E326-R329 IonicContact OE2-CZ 2.75Å; E326-R329 IonicContact OE2-NE 3.42Å; E326-R329 PolarHBondContact OE2-NE 3.43Å; E326-R329 IonicContact OE2-NH2 2.69Å; E326-R329 PolarHBondContact OE2-NH2 2.94Å; R329-A331 PolarHBondContact O-N 2.98Å; R329-F332 PolarHBondContact O-N 3.48Å; R329-D333 HydrophobicContact CG-CB 3.94Å; R329-D333 WeakPolarHBondContact O-CB 3.27Å; R329-D333 PolarHBondContact O-N 3.27Å
330I94.1Very high78.7Confident7 Ų771.9 Ų71.94%0.03637%0.366CS..Hα-helixtrans-60.2-36.1178.7-66.1168.2000111.2E326 V334 A387 K388 Q391 Y394E326-I330 HydrophobicContact CG-CD1 3.99Å; E326-I330 HydrophobicContact CG-CG1 4.48Å; E326-I330 VanDerWaalsContact O-CG1 3.29Å; E326-I330 WeakPolarHBondContact O-CG1 3.47Å; E326-I330 PolarHBondContact O-N 3.07Å; I330-V334 VanDerWaalsContact O-CG2 3.23Å; I330-V334 WeakPolarHBondContact O-CG2 3.45Å; I330-A387 HydrophobicContact CD1-CB 3.97Å; I330-A387 HydrophobicContact CG2-CB 4.32Å; I330-K388 HydrophobicContact CD1-CG 4.22Å; I330-Q391 HydrophobicContact CG2-CG 3.82Å; I330-Y394 HydrophobicContact CB-CE1 4.09Å; I330-Y394 HydrophobicContact CG2-CD1 3.79Å; I330-Y394 HydrophobicContact CG2-CE1 3.77Å
331A91.5Very high76.6Confident3 Ų374.3 Ų74.33%0.02540%0.401CS..Hα-helixtrans-77.3-37.5-177.600000114.8L327 R328 R329 L358 Y394 V398L327-A331 PolarHBondContact O-N 3.49Å; R328-A331 PolarHBondContact O-N 3.14Å; R329-A331 PolarHBondContact O-N 2.98Å; A331-L358 HydrophobicContact CB-CD2 4.24Å; A331-Y394 HydrophobicContact CB-CE1 3.88Å; A331-V398 HydrophobicContact CB-CB 4.31Å; A331-V398 HydrophobicContact CB-CG1 3.86Å; A331-V398 HydrophobicContact CB-CG2 4.48Å
332F89.4Confident75Confident35 Ų3570.4 Ų70.415%0.15439%0.393CS..Hα-helixtrans-122-18.5-168-57.1-61.9000115.5R328 R329 D354 K357 L358 V398 L399R328-F332 HydrophobicContact CG-CD2 4.05Å; R328-F332 HydrophobicContact CG-CE2 4.45Å; R328-F332 WeakPolarHBondContact O-CD2 3.14Å; R328-F332 PolarHBondContact O-N 3.03Å; R328-F332 VanDerWaalsContact O-N 3.09Å; R329-F332 PolarHBondContact O-N 3.48Å; F332-D354 HydrophobicContact CD2-CB 3.85Å; F332-D354 HydrophobicContact CE2-CB 3.75Å; F332-K357 HydrophobicContact CE1-CB 4.35Å; F332-K357 HydrophobicContact CE1-CD 4.48Å; F332-K357 HydrophobicContact CZ-CB 3.72Å; F332-L358 HydrophobicContact CE2-CD1 3.84Å; F332-L358 HydrophobicContact CE2-CD2 4.33Å; F332-L358 HydrophobicContact CE2-CG 3.71Å; F332-L358 HydrophobicContact CZ-CG 4.06Å; F332-V398 HydrophobicContact CE1-CG1 3.92Å; F332-V398 HydrophobicContact CZ-CG1 3.7Å; F332-L399 HydrophobicContact CD1-CD2 3.97Å; F332-L399 HydrophobicContact CE1-CD2 4.01Å
333D80.9Confident73.7Confident53 Ų5370 Ų7028%0.28340%0.397SS..THydrogen-bonded Turntrans-979.9-174.7-66.2-8.4000113.3R328 R329 E335R328-D333 IonicContact CZ-OD1 3.25Å; R328-D333 VanDerWaalsContact CZ-OD1 3.25Å; R328-D333 IonicContact CZ-OD2 3.81Å; R328-D333 IonicContact NH1-OD1 2.81Å; R328-D333 PolarHBondContact NH1-OD1 2.95Å; R328-D333 IonicContact NH1-OD2 2.7Å; R328-D333 PolarHBondContact NH1-OD2 2.93Å; R328-D333 IonicContact NH2-OD1 2.77Å; R328-D333 PolarHBondContact NH2-OD1 2.84Å; R329-D333 HydrophobicContact CG-CB 3.94Å; R329-D333 WeakPolarHBondContact O-CB 3.27Å; R329-D333 PolarHBondContact O-N 3.27Å; D333-E335 PolarHBondContact O-N 3.3Å
334V61.1Low72.4Confident93 Ų9373.1 Ų73.156%0.56441%0.413SS*.THydrogen-bonded Turntrans-69.5-16.8177.5-177.80000112.1I330 I395I330-V334 VanDerWaalsContact O-CG2 3.23Å; I330-V334 WeakPolarHBondContact O-CG2 3.45Å; V334-I395 HydrophobicContact CG2-CD1 4.01Å
335E48.8Very low71.2Confident184 Ų18480.4 Ų80.486%0.8645%0.447SS*.SBendtrans-126.84.2-176.4-64.2-17416100115.2D333D333-E335 PolarHBondContact O-N 3.3Å
336S47.3Very low70.4Confident81 Ų8184.7 Ų84.757%0.56647%0.465SS*.  trans-92.4115.8-173.6-66.40000112.7
337E43.6Very low69.5Low171 Ų17187.5 Ų87.580%0.79947%0.474SS*.  trans-58.4151.4173.3-78.2-134.3153.400113N339E337-N339 PolarHBondContact O-N 2.94Å
338P47.8Very low68.7Low125 Ų12594.1 Ų94.181%0.81250%0.502SS*.SBendtrans-72.15.7-164.2-12.928.4000115.7N340P338-N340 VanDerWaalsContact C-N 3.3Å; P338-N340 PolarHBondContact O-N 2.76Å
339N50.5Low68.1Low157 Ų15797.8 Ų97.884%0.8453%0.529SS*.  trans-91.456.4-165-136.411.3000112.4E337E337-N339 PolarHBondContact O-N 2.94Å
340N54.5Low67.8Low108 Ų10894.8 Ų94.858%0.57852%0.52SS*.  trans-106.260.8-176.4-123.9-4.6000112.6P338 G342P338-N340 VanDerWaalsContact C-N 3.3Å; P338-N340 PolarHBondContact O-N 2.76Å; N340-G342 PolarHBondContact O-N 3.07Å
341G49.4Very low67.5Low89 Ų8997.4 Ų97.492%0.91853%0.53SS*.  trans-75.339.3171.600000114.4
342G59.3Low67.3Low23 Ų2399.6 Ų99.624%0.23754%0.543CS..  trans-87.1145.7-177.100000114.3N340 R347N340-G342 PolarHBondContact O-N 3.07Å; G342-R347 PolarHBondContact O-NE 3.15Å
343S66.6Low67.3Low71 Ų71104.7 Ų104.750%0.49756%0.561SS.*  trans-47.2146.9169.2173.20000112.1E345 K346 R347S343-E345 PolarHBondContact O-N 3.37Å; S343-E345 VanDerWaalsContact O-N 3.15Å; S343-K346 PolarHBondContact O-N 2.83Å; S343-R347 PolarHBondContact O-N 2.85Å
344I68.1Low67.9Low108 Ų108102.5 Ų102.555%0.55455%0.55SS*.Hα-helixtrans-53-36.6-178.8-66.8169.1000111.7R347 K348I344-R347 PolarHBondContact O-N 3.33Å; I344-K348 PolarHBondContact O-N 3.33Å
345E70.4Confident69.5Low155 Ų15599.3 Ų99.372%0.72453%0.528SS*.Hα-helixtrans-68.1-38.1179-68.9-179.4160.200112.9S343 R347 K348 S349S343-E345 PolarHBondContact O-N 3.37Å; S343-E345 VanDerWaalsContact O-N 3.15Å; E345-R347 VanDerWaalsContact C-N 3.33Å; E345-R347 PolarHBondContact O-N 2.9Å; E345-K348 PolarHBondContact O-N 3.49Å; E345-S349 PolarHBondContact O-N 2.79Å
346K75.9Confident71.5Confident157 Ų15797 Ų9768%0.68352%0.515SS*.Hα-helixtrans-64.9-38.6175.6-70.6-174176.4-178.10111.2S343 M350S343-K346 PolarHBondContact O-N 2.83Å; K346-M350 WeakPolarHBondContact O-CB 3.33Å; K346-M350 PolarHBondContact O-N 2.78Å
347R76.4Confident73.6Confident105 Ų10597.3 Ų97.340%0.39651%0.506SS..Hα-helixtrans-65.7-44.9175.1-85.1-175.7-79.5160.8-5.5112.4G342 S343 I344 E345 S349 M350 Y351G342-R347 PolarHBondContact O-NE 3.15Å; S343-R347 PolarHBondContact O-N 2.85Å; I344-R347 PolarHBondContact O-N 3.33Å; E345-R347 VanDerWaalsContact C-N 3.33Å; E345-R347 PolarHBondContact O-N 2.9Å; R347-S349 PolarHBondContact O-N 2.81Å; R347-M350 WeakPolarHBondContact O-CB 3.05Å; R347-M350 PolarHBondContact O-N 3.5Å; R347-Y351 HydrophobicContact CB-CE2 4.29Å; R347-Y351 WeakPolarHBondContact O-CD2 3.13Å; R347-Y351 VanDerWaalsContact O-CG 3.23Å; R347-Y351 PolarHBondContact O-N 3.48Å
348K78Confident76Confident140 Ų14089.2 Ų89.261%0.60947%0.468SS*.Hα-helixtrans-59.7-45.6175.9-74.4-176.6178.2-177.60111.9I344 E345 M350 Y351 T352I344-K348 PolarHBondContact O-N 3.33Å; E345-K348 PolarHBondContact O-N 3.49Å; K348-M350 VanDerWaalsContact C-N 3.32Å; K348-M350 PolarHBondContact O-N 3.33Å; K348-Y351 PolarHBondContact O-N 2.95Å; K348-T352 PolarHBondContact O-N 3.05Å; K348-T352 PolarHBondContact O-OG1 3.48Å
349S83.6Confident78.2Confident85 Ų8583.7 Ų83.759%0.59443%0.434SS*.Hα-helixtrans-62-38.6176.8178.50000112.7E345 R347 R353E345-S349 PolarHBondContact O-N 2.79Å; R347-S349 PolarHBondContact O-N 2.81Å; S349-R353 PolarHBondContact O-N 3.01Å
350M86.6Confident80.3Confident41 Ų4176.4 Ų76.420%0.20240%0.395CS..Hα-helixtrans-62.2-48.7174.8-175.4-17676.700111.2K346 R347 K348 T352 R353 D354K346-M350 WeakPolarHBondContact O-CB 3.33Å; K346-M350 PolarHBondContact O-N 2.78Å; R347-M350 WeakPolarHBondContact O-CB 3.05Å; R347-M350 PolarHBondContact O-N 3.5Å; K348-M350 VanDerWaalsContact C-N 3.32Å; K348-M350 PolarHBondContact O-N 3.33Å; M350-T352 PolarHBondContact O-N 2.85Å; M350-R353 WeakPolarHBondContact O-CB 3.48Å; M350-R353 PolarHBondContact O-N 3.37Å; M350-R353 VanDerWaalsContact O-N 3.14Å; M350-D354 VanDerWaalsContact O-CG 3.24Å; M350-D354 PolarHBondContact O-N 3.36Å
351Y87.4Confident82.1Confident62 Ų6276.1 Ų76.124%0.24339%0.392CS..Hα-helixtrans-61.2-43.2179.5-59.1-28.1000112.6F325 R347 K348 R353 D354 Y355F325-Y351 HydrophobicContact CE2-CE1 4.11Å; R347-Y351 HydrophobicContact CB-CE2 4.29Å; R347-Y351 WeakPolarHBondContact O-CD2 3.13Å; R347-Y351 VanDerWaalsContact O-CG 3.23Å; R347-Y351 PolarHBondContact O-N 3.48Å; K348-Y351 PolarHBondContact O-N 2.95Å; Y351-R353 VanDerWaalsContact C-N 3.28Å; Y351-R353 PolarHBondContact O-N 3.44Å; Y351-D354 PolarHBondContact O-N 3.1Å; Y351-D354 VanDerWaalsContact O-N 3.12Å; Y351-Y355 WeakPolarHBondContact O-CD2 3.42Å; Y351-Y355 VanDerWaalsContact O-CG 3.3Å; Y351-Y355 PolarHBondContact O-N 3.45Å
352T88.6Confident84.2Confident48 Ų4874.4 Ų74.429%0.29436%0.362SS..Hα-helixtrans-59.4-39.8175.4-60.70000112.1K348 M350 K356 H363 V364K348-T352 PolarHBondContact O-N 3.05Å; K348-T352 PolarHBondContact O-OG1 3.48Å; M350-T352 PolarHBondContact O-N 2.85Å; T352-K356 WeakPolarHBondContact O-CB 3.4Å; T352-K356 PolarHBondContact O-N 3.26Å; T352-H363 WeakPolarHBondContact CA-O 3.09Å; T352-H363 HydrophobicContact CG2-CB 4.23Å; T352-V364 HydrophobicContact CG2-CG2 4.19Å
353R89.4Confident85.7Confident142 Ų14276.2 Ų76.254%0.53636%0.364SS..Hα-helixtrans-65.5-40.1175.1-175.4-175.965.6-171.3-1111.7S349 M350 Y351 K356 K357S349-R353 PolarHBondContact O-N 3.01Å; M350-R353 WeakPolarHBondContact O-CB 3.48Å; M350-R353 PolarHBondContact O-N 3.37Å; M350-R353 VanDerWaalsContact O-N 3.14Å; Y351-R353 VanDerWaalsContact C-N 3.28Å; Y351-R353 PolarHBondContact O-N 3.44Å; R353-K356 WeakPolarHBondContact O-CB 3.5Å; R353-K356 PolarHBondContact O-N 2.84Å; R353-K357 WeakPolarHBondContact O-CG 3.27Å; R353-K357 PolarHBondContact O-N 3.41Å
354D92.4Very high86.8Confident7 Ų778.1 Ų78.14%0.03737%0.372CS..Hα-helixtrans-70.8-38-179.3-64-8.5000111.6R328 F332 M350 Y351 K356 K357 L358R328-D354 HydrophobicContact CG-CB 3.9Å; R328-D354 IonicContact CZ-OD2 2.82Å; R328-D354 IonicContact NE-OD2 3.51Å; R328-D354 PolarHBondContact NE-OD2 3.34Å; R328-D354 IonicContact NH2-OD2 3.14Å; R328-D354 PolarHBondContact NH2-OD2 3.5Å; F332-D354 HydrophobicContact CD2-CB 3.85Å; F332-D354 HydrophobicContact CE2-CB 3.75Å; M350-D354 VanDerWaalsContact O-CG 3.24Å; M350-D354 PolarHBondContact O-N 3.36Å; Y351-D354 PolarHBondContact O-N 3.1Å; Y351-D354 VanDerWaalsContact O-N 3.12Å; D354-K356 VanDerWaalsContact C-N 3.3Å; D354-K356 PolarHBondContact O-N 3.42Å; D354-K357 CarbonylContact O-C 3.25Å; D354-K357 WeakPolarHBondContact O-CB 3.02Å; D354-K357 PolarHBondContact O-N 3.47Å; D354-K357 VanDerWaalsContact O-N 3.16Å; D354-L358 WeakPolarHBondContact O-CG 3.19Å; D354-L358 PolarHBondContact O-N 3.15Å
355Y94.4Very high88Confident27 Ų2775 Ų7511%0.10636%0.357CS..Hα-helixtrans-66.6-32.5171.7-61.6-43.1000112.5I324 R328 Y351 L358 G359 F360 P366I324-Y355 HydrophobicContact CG2-CD1 4.34Å; I324-Y355 HydrophobicContact CG2-CE1 3.82Å; R328-Y355 HydrophobicContact CB-CD1 4.38Å; R328-Y355 HydrophobicContact CB-CE1 3.77Å; R328-Y355 HydrophobicContact CG-CD1 4.38Å; R328-Y355 HydrophobicContact CG-CE1 3.94Å; Y351-Y355 WeakPolarHBondContact O-CD2 3.42Å; Y351-Y355 VanDerWaalsContact O-CG 3.3Å; Y351-Y355 PolarHBondContact O-N 3.45Å; Y355-L358 HydrophobicContact CD1-CD1 4.03Å; Y355-L358 PolarHBondContact O-N 3.47Å; Y355-G359 PolarHBondContact O-N 3.04Å; Y355-F360 HydrophobicContact CD1-CD2 4.24Å; Y355-F360 HydrophobicContact CD1-CE2 4.17Å; Y355-F360 WeakPolarHBondContact O-CD2 3.46Å; Y355-F360 PolarHBondContact O-N 3.33Å; Y355-P366 HydrophobicContact CD1-CG 4Å; Y355-P366 HydrophobicContact CD2-CG 3.96Å; Y355-P366 HydrophobicContact CE1-CG 4.23Å; Y355-P366 HydrophobicContact CE2-CG 4.18Å; Y355-P366 HydrophobicContact CG-CG 3.89Å
356K91.6Very high89.1Confident135 Ų13567.9 Ų67.959%0.58732%0.324SS*.Hα-helixtrans-63-45.8167.8-178.4172-177.3-175.60111.8T352 R353 D354 L358 G359 H363T352-K356 WeakPolarHBondContact O-CB 3.4Å; T352-K356 PolarHBondContact O-N 3.26Å; R353-K356 WeakPolarHBondContact O-CB 3.5Å; R353-K356 PolarHBondContact O-N 2.84Å; D354-K356 VanDerWaalsContact C-N 3.3Å; D354-K356 PolarHBondContact O-N 3.42Å; K356-L358 VanDerWaalsContact C-N 3.3Å; K356-L358 PolarHBondContact O-N 3.43Å; K356-G359 WeakPolarHBondContact O-CA 3.03Å; K356-G359 PolarHBondContact O-N 3.48Å; K356-H363 WeakPolarHBondContact CA-ND1 3.42Å; K356-H363 HydrophobicContact CB-CB 3.95Å
357K91.1Very high90Very high88 Ų8860.4 Ų60.438%0.38329%0.292SS..Hα-helixtrans-63.7-32.2176.3-79.5-175.2171.3-161.30113.5F332 R353 D354 G359F332-K357 HydrophobicContact CE1-CB 4.35Å; F332-K357 HydrophobicContact CE1-CD 4.48Å; F332-K357 HydrophobicContact CZ-CB 3.72Å; R353-K357 WeakPolarHBondContact O-CG 3.27Å; R353-K357 PolarHBondContact O-N 3.41Å; D354-K357 CarbonylContact O-C 3.25Å; D354-K357 WeakPolarHBondContact O-CB 3.02Å; D354-K357 PolarHBondContact O-N 3.47Å; D354-K357 VanDerWaalsContact O-N 3.16Å; K357-G359 PolarHBondContact O-N 2.8Å
358L93.7Very high90.9Very high1 Ų158 Ų581%0.00529%0.289CS..THydrogen-bonded Turntrans-71.2-9.7171-78.2156.8000113R328 A331 F332 D354 Y355 K356 F360 V398 F412 G413R328-L358 HydrophobicContact CB-CD1 3.78Å; R328-L358 HydrophobicContact CG-CD1 4.11Å; A331-L358 HydrophobicContact CB-CD2 4.24Å; F332-L358 HydrophobicContact CE2-CD1 3.84Å; F332-L358 HydrophobicContact CE2-CD2 4.33Å; F332-L358 HydrophobicContact CE2-CG 3.71Å; F332-L358 HydrophobicContact CZ-CG 4.06Å; D354-L358 WeakPolarHBondContact O-CG 3.19Å; D354-L358 PolarHBondContact O-N 3.15Å; Y355-L358 HydrophobicContact CD1-CD1 4.03Å; Y355-L358 PolarHBondContact O-N 3.47Å; K356-L358 VanDerWaalsContact C-N 3.3Å; K356-L358 PolarHBondContact O-N 3.43Å; L358-F360 HydrophobicContact CB-CD2 3.79Å; L358-F360 HydrophobicContact CB-CE2 3.72Å; L358-F360 HydrophobicContact CD1-CE2 4Å; L358-F360 HydrophobicContact CG-CE2 4.41Å; L358-V398 HydrophobicContact CD2-CG1 3.75Å; L358-V398 HydrophobicContact CD2-CG2 3.93Å; L358-V398 HydrophobicContact CG-CG1 4.44Å; L358-F412 HydrophobicContact CD2-CD1 4.49Å; L358-F412 WeakPolarHBondContact O-CB 3.26Å; L358-F412 PolarHBondContact O-N 3.02Å; L358-G413 PolarHBondContact O-N 3.09Å
359G93.4Very high91.8Very high9 Ų951.9 Ų51.99%0.09326%0.263CS..THydrogen-bonded Turntrans7428.7176.700000114.4Y355 K356 K357 P411 R414Y355-G359 PolarHBondContact O-N 3.04Å; K356-G359 WeakPolarHBondContact O-CA 3.03Å; K356-G359 PolarHBondContact O-N 3.48Å; K357-G359 PolarHBondContact O-N 2.8Å; G359-P411 WeakPolarHBondContact O-CB 3.23Å; G359-R414 PolarHBondContact O-N 3.3Å
360F95.6Very high92.4Very high3 Ų347.9 Ų47.91%0.01324%0.235CC..  trans-67.1154.5164.7-69.6-68.9000110.4I324 Y355 L358 H363 P366 F370 M383I324-F360 HydrophobicContact CG2-CE2 4.25Å; I324-F360 HydrophobicContact CG2-CZ 4.19Å; Y355-F360 HydrophobicContact CD1-CD2 4.24Å; Y355-F360 HydrophobicContact CD1-CE2 4.17Å; Y355-F360 WeakPolarHBondContact O-CD2 3.46Å; Y355-F360 PolarHBondContact O-N 3.33Å; L358-F360 HydrophobicContact CB-CD2 3.79Å; L358-F360 HydrophobicContact CB-CE2 3.72Å; L358-F360 HydrophobicContact CD1-CE2 4Å; L358-F360 HydrophobicContact CG-CE2 4.41Å; F360-H363 PolarHBondContact O-CE1 3.01Å; F360-H363 PolarHBondContact O-ND1 2.92Å; F360-P366 HydrophobicContact CB-CB 3.98Å; F360-P366 HydrophobicContact CD1-CB 3.8Å; F360-P366 HydrophobicContact CD2-CB 3.7Å; F360-P366 HydrophobicContact CD2-CG 4.47Å; F360-P366 HydrophobicContact CE1-CB 4.19Å; F360-P366 HydrophobicContact CE2-CB 4.09Å; F360-P366 HydrophobicContact CG-CB 3.54Å; F360-P366 HydrophobicContact CZ-CB 4.33Å; F360-F370 HydrophobicContact CD1-CE2 4.48Å; F360-F370 AromaticContact CE1-CE2 3.77Å; F360-F370 HydrophobicContact CE1-CE2 3.77Å; F360-F370 AromaticContact CE1-CZ 3.76Å; F360-F370 HydrophobicContact CE1-CZ 3.76Å; F360-F370 HydrophobicContact CZ-CE2 4.49Å; F360-F370 HydrophobicContact CZ-CZ 4.49Å; F360-M383 HydrophobicContact CE1-CE 3.85Å; F360-M383 HydrophobicContact CZ-CE 3.79Å
361I92.9Very high92.9Very high103 Ų10348 Ų4853%0.52824%0.238SC..SBendtrans-75.5-50.4174.3-57.5173.9000109H363 D369 R414I361-H363 PolarHBondContact O-N 2.94Å; I361-D369 WeakPolarHBondContact CB-OD2 3.13Å; I361-D369 PolarHBondContact N-OD2 3.37Å; I361-R414 HydrophobicContact CD1-CG 4.12Å; I361-R414 HydrophobicContact CG1-CB 4.15Å; I361-R414 HydrophobicContact CG1-CG 4.17Å
362N92.4Very high93.2Very high53 Ų5351 Ų5128%0.28325%0.254SS..  trans-92.391.2174.6-167.6-24000111.3V364 N365 P366 V368 D369N362-V364 PolarHBondContact O-N 3.22Å; N362-V364 PolarHBondContact OD1-N 3.07Å; N362-N365 WeakPolarHBondContact CB-O 3.5Å; N362-N365 CarbonylContact O-C 3.43Å; N362-N365 PolarHBondContact O-N 3.36Å; N362-N365 PolarHBondContact OD1-N 3.25Å; N362-P366 VanDerWaalsContact O-CA 3.22Å; N362-P366 WeakPolarHBondContact O-CA 3.3Å; N362-V368 HydrophobicContact CB-CB 4.42Å; N362-D369 VanDerWaalsContact CB-OD1 3.23Å; N362-D369 WeakPolarHBondContact CB-OD1 3.37Å; N362-D369 PolarHBondContact N-OD1 3.42Å
363H90.4Very high93.4Very high60 Ų6051.7 Ų51.728%0.27826%0.255SS..SBendtrans-68.6-20.5-179.1-41.7-47.5000114.1T352 K356 F360 I361T352-H363 WeakPolarHBondContact CA-O 3.09Å; T352-H363 HydrophobicContact CG2-CB 4.23Å; K356-H363 WeakPolarHBondContact CA-ND1 3.42Å; K356-H363 HydrophobicContact CB-CB 3.95Å; F360-H363 PolarHBondContact O-CE1 3.01Å; F360-H363 PolarHBondContact O-ND1 2.92Å; I361-H363 PolarHBondContact O-N 2.94Å
364V90.9Very high93.6Very high111 Ų11147.3 Ų47.367%0.67325%0.245SC*.SBendtrans-80.9-42.5179.2179.20000110.1T352 N362T352-V364 HydrophobicContact CG2-CG2 4.19Å; N362-V364 PolarHBondContact O-N 3.22Å; N362-V364 PolarHBondContact OD1-N 3.07Å
365N91.9Very high93.8Very high42 Ų4247 Ų4723%0.22524%0.244CC..  trans-139.186176.4-170.37.5000110.9N362 A367 V368N362-N365 WeakPolarHBondContact CB-O 3.5Å; N362-N365 CarbonylContact O-C 3.43Å; N362-N365 PolarHBondContact O-N 3.36Å; N362-N365 PolarHBondContact OD1-N 3.25Å; N365-A367 PolarHBondContact O-N 2.69Å; N365-A367 VanDerWaalsContact O-N 3.1Å; N365-A367 WeakPolarHBondContact OD1-CB 3.3Å; N365-A367 PolarHBondContact OD1-N 2.93Å; N365-V368 HydrophobicContact CB-CG2 4.21Å; N365-V368 WeakPolarHBondContact O-CG2 3.45Å; N365-V368 PolarHBondContact O-N 2.96Å; N365-V368 VanDerWaalsContact O-N 3.14Å
366P94.2Very high93.8Very high6 Ų645.8 Ų45.84%0.03924%0.239CC..G310 helixtrans-63.6-16.7-177.725.6-37.4000113.7I324 Y355 F360 N362 V368 D369 F370I324-P366 HydrophobicContact CD1-CB 4.32Å; I324-P366 HydrophobicContact CD1-CG 4.18Å; I324-P366 HydrophobicContact CG2-CB 4.24Å; I324-P366 HydrophobicContact CG2-CG 3.71Å; Y355-P366 HydrophobicContact CD1-CG 4Å; Y355-P366 HydrophobicContact CD2-CG 3.96Å; Y355-P366 HydrophobicContact CE1-CG 4.23Å; Y355-P366 HydrophobicContact CE2-CG 4.18Å; Y355-P366 HydrophobicContact CG-CG 3.89Å; F360-P366 HydrophobicContact CB-CB 3.98Å; F360-P366 HydrophobicContact CD1-CB 3.8Å; F360-P366 HydrophobicContact CD2-CB 3.7Å; F360-P366 HydrophobicContact CD2-CG 4.47Å; F360-P366 HydrophobicContact CE1-CB 4.19Å; F360-P366 HydrophobicContact CE2-CB 4.09Å; F360-P366 HydrophobicContact CG-CB 3.54Å; F360-P366 HydrophobicContact CZ-CB 4.33Å; N362-P366 VanDerWaalsContact O-CA 3.22Å; N362-P366 WeakPolarHBondContact O-CA 3.3Å; P366-V368 PolarHBondContact O-N 3.15Å; P366-D369 WeakPolarHBondContact O-CB 3.39Å; P366-D369 PolarHBondContact O-N 2.86Å; P366-D369 VanDerWaalsContact O-N 3.13Å; P366-F370 WeakPolarHBondContact O-CD2 3.37Å
367A95.4Very high94.1Very high1 Ų139.7 Ų39.71%0.00821%0.213CC..G310 helixtrans-60.3-27.617500000112.8M313 P315 I324 N365 D369 F370M313-A367 HydrophobicContact CE-CB 3.76Å; M313-A367 HydrophobicContact CG-CB 4.4Å; M313-A367 VanDerWaalsContact SD-CA 3.5Å; M313-A367 HydrophobicContact SD-CB 3.51Å; M313-A367 VanDerWaalsContact SD-CB 3.51Å; P315-A367 HydrophobicContact CB-CB 3.96Å; P315-A367 HydrophobicContact CG-CB 4.46Å; I324-A367 HydrophobicContact CD1-CB 4.06Å; N365-A367 PolarHBondContact O-N 2.69Å; N365-A367 VanDerWaalsContact O-N 3.1Å; N365-A367 WeakPolarHBondContact OD1-CB 3.3Å; N365-A367 PolarHBondContact OD1-N 2.93Å; A367-D369 PolarHBondContact O-N 3.21Å; A367-F370 PolarHBondContact O-N 3.1Å
368V95.8Very high94.5Very high55 Ų5535.7 Ų35.733%0.33320%0.196SC..G310 helixtrans-62.8-32.1177.8178.80000111.6P315 N362 N365 P366 F370 T371P315-V368 HydrophobicContact CG-CG2 4.48Å; N362-V368 HydrophobicContact CB-CB 4.42Å; N365-V368 HydrophobicContact CB-CG2 4.21Å; N365-V368 WeakPolarHBondContact O-CG2 3.45Å; N365-V368 PolarHBondContact O-N 2.96Å; N365-V368 VanDerWaalsContact O-N 3.14Å; P366-V368 PolarHBondContact O-N 3.15Å; V368-F370 PolarHBondContact O-N 2.91Å; V368-T371 WeakPolarHBondContact O-CB 3.32Å; V368-T371 WeakPolarHBondContact O-CG2 3.21Å; V368-T371 PolarHBondContact O-N 3.08Å; V368-T371 VanDerWaalsContact O-N 3.11Å; V368-T371 PolarHBondContact O-OG1 2.96Å
369D95.4Very high94.7Very high11 Ų1135.6 Ų35.66%0.05920%0.195CC..G310 helixtrans-64.4-30.3-179.1-64.318.4000111.6I361 N362 P366 A367 T371 I417I361-D369 WeakPolarHBondContact CB-OD2 3.13Å; I361-D369 PolarHBondContact N-OD2 3.37Å; N362-D369 VanDerWaalsContact CB-OD1 3.23Å; N362-D369 WeakPolarHBondContact CB-OD1 3.37Å; N362-D369 PolarHBondContact N-OD1 3.42Å; P366-D369 WeakPolarHBondContact O-CB 3.39Å; P366-D369 PolarHBondContact O-N 2.86Å; P366-D369 VanDerWaalsContact O-N 3.13Å; A367-D369 PolarHBondContact O-N 3.21Å; D369-T371 VanDerWaalsContact C-N 3.32Å; D369-T371 PolarHBondContact O-N 3.11Å; D369-I417 HydrophobicContact CB-CD1 3.65Å
370F97.6Very high94.9Very high1 Ų135.2 Ų35.20%0.00419%0.191CC..G310 helixtrans-88.26.4178.5-57-80.3000113.7M313 I324 F360 P366 A367 V368 Q372 A379 L380 M383 I417M313-F370 HydrophobicContact CB-CB 3.57Å; M313-F370 HydrophobicContact CG-CB 4.34Å; M313-F370 PolarHBondContact N-O 3.25Å; M313-F370 VanDerWaalsContact N-O 3.09Å; M313-F370 HydrophobicContact SD-CB 3.92Å; M313-F370 HydrophobicContact SD-CD2 3.77Å; M313-F370 HydrophobicContact SD-CG 4.16Å; I324-F370 HydrophobicContact CD1-CD2 4.02Å; I324-F370 HydrophobicContact CD1-CE2 3.79Å; I324-F370 HydrophobicContact CG1-CE2 4.23Å; F360-F370 HydrophobicContact CD1-CE2 4.48Å; F360-F370 AromaticContact CE1-CE2 3.77Å; F360-F370 HydrophobicContact CE1-CE2 3.77Å; F360-F370 AromaticContact CE1-CZ 3.76Å; F360-F370 HydrophobicContact CE1-CZ 3.76Å; F360-F370 HydrophobicContact CZ-CE2 4.49Å; F360-F370 HydrophobicContact CZ-CZ 4.49Å; P366-F370 WeakPolarHBondContact O-CD2 3.37Å; A367-F370 PolarHBondContact O-N 3.1Å; V368-F370 PolarHBondContact O-N 2.91Å; F370-Q372 VanDerWaalsContact C-N 3.29Å; F370-A379 HydrophobicContact CD1-CB 4.28Å; F370-A379 HydrophobicContact CE1-CB 4.08Å; F370-L380 HydrophobicContact CD1-CB 3.91Å; F370-L380 HydrophobicContact CE1-CB 3.71Å; F370-L380 HydrophobicContact CE1-CD1 4.24Å; F370-L380 HydrophobicContact CE2-CD1 4.12Å; F370-L380 HydrophobicContact CZ-CB 4.14Å; F370-L380 HydrophobicContact CZ-CD1 3.79Å; F370-M383 HydrophobicContact CE1-SD 3.89Å; F370-M383 HydrophobicContact CZ-CE 4.39Å; F370-M383 HydrophobicContact CZ-SD 3.76Å; F370-I417 HydrophobicContact CD1-CD1 4.16Å; F370-I417 HydrophobicContact CD1-CG1 4.26Å; F370-I417 HydrophobicContact CE1-CD1 3.97Å; F370-I417 HydrophobicContact CE1-CG1 3.9Å; F370-I417 HydrophobicContact CZ-CD1 4.31Å
371T96.1Very high95.1Very high44 Ų4436.7 Ų36.727%0.2720%0.199SC..G310 helixtrans-81.5-13171.1670000112.4K312 P315 V368 D369K312-T371 VanDerWaalsContact CD-O 3.3Å; K312-T371 WeakPolarHBondContact CD-O 3.22Å; K312-T371 WeakPolarHBondContact CE-O 3.32Å; K312-T371 WeakPolarHBondContact CG-O 3.47Å; P315-T371 HydrophobicContact CG-CG2 3.9Å; V368-T371 WeakPolarHBondContact O-CB 3.32Å; V368-T371 WeakPolarHBondContact O-CG2 3.21Å; V368-T371 PolarHBondContact O-N 3.08Å; V368-T371 VanDerWaalsContact O-N 3.11Å; V368-T371 PolarHBondContact O-OG1 2.96Å; D369-T371 VanDerWaalsContact C-N 3.32Å; D369-T371 PolarHBondContact O-N 3.11Å
372Q93.5Very high95.3Very high124 Ų12431.8 Ų31.858%0.57917%0.174SC*.SBendtrans-80.8130.5175.4-60.6-171.21100110.1F370 G376F370-Q372 VanDerWaalsContact C-N 3.29Å; Q372-G376 WeakPolarHBondContact O-CA 3.24Å; Q372-G376 PolarHBondContact O-N 3.28Å
373I93.4Very high95.6Very high62 Ų6229.2 Ų29.232%0.31816%0.16SC..THydrogen-bonded Turntrans-125.4138.6176.157171.7000109.8M310 K312M310-I373 HydrophobicContact CE-CD1 4.07Å; M310-I373 HydrophobicContact SD-CB 4.47Å; K312-I373 HydrophobicContact CG-CD1 4.4Å; K312-I373 HydrophobicContact CG-CG1 4.48Å; K312-I373 HydrophobicContact CG-CG2 3.72Å
374P92.8Very high96Very high50 Ų5027.8 Ų27.833%0.32515%0.154SC..THydrogen-bonded Turncis-63.4156.2-17.329.8-35.9000111.7M309 K421M309-P374 HydrophobicContact CG-CB 3.81Å; M309-P374 HydrophobicContact SD-CB 4.1Å; P374-K421 HydrophobicContact CB-CG 4.36Å; P374-K421 HydrophobicContact CG-CD 4.21Å; P374-K421 HydrophobicContact CG-CG 3.98Å
375P96.6Very high96.4Very high2 Ų223.7 Ų23.71%0.01313%0.127CC..THydrogen-bonded Turncis-108.957.142.2-36.8000115.4M309 M377 L378 A379 I417 T420 K421M309-P375 CarbonylContact C-O 3.56Å; M309-P375 VanDerWaalsContact CA-O 3.29Å; M309-P375 WeakPolarHBondContact CA-O 3.49Å; M309-P375 CarbonylContact O-C 3.54Å; M309-P375 VanDerWaalsContact O-O 3.09Å; P375-M377 PolarHBondContact O-N 3.36Å; P375-L378 WeakPolarHBondContact O-CB 3.4Å; P375-L378 PolarHBondContact O-N 3.23Å; P375-A379 HydrophobicContact CB-CB 4.39Å; P375-A379 HydrophobicContact CG-CB 3.62Å; P375-I417 HydrophobicContact CG-CG2 3.94Å; P375-I417 WeakPolarHBondContact CG-O 3.48Å; P375-T420 HydrophobicContact CB-CG2 3.55Å; P375-T420 HydrophobicContact CG-CG2 4.06Å; P375-K421 HydrophobicContact CB-CB 4.47Å; P375-K421 HydrophobicContact CG-CB 4.42Å
376G96.3Very high96.7Very high1 Ų121.7 Ų21.71%0.0112%0.116CC..THydrogen-bonded Turntrans53.5-134.5175.800000114.5M309 T311 Q372 L378 A379M309-G376 PolarHBondContact O-N 3.14Å; T311-G376 CarbonylContact O-C 3.6Å; T311-G376 VanDerWaalsContact O-CA 3.31Å; T311-G376 WeakPolarHBondContact O-CA 3.31Å; Q372-G376 WeakPolarHBondContact O-CA 3.24Å; Q372-G376 PolarHBondContact O-N 3.28Å; G376-L378 VanDerWaalsContact C-N 3.27Å; G376-L378 PolarHBondContact O-N 3.39Å; G376-A379 PolarHBondContact O-N 2.97Å
377M97.9Very high96.8Very high7 Ų721.4 Ų21.43%0.03411%0.114CC..Hα-helixtrans-65.6-23.8-179.2-70.4-62.8-75.200113.9R308 T311 M313 Q320 P375 A379 L380 D381R308-M377 PolarHBondContact O-N 2.63Å; T311-M377 HydrophobicContact CG2-CB 4.39Å; T311-M377 HydrophobicContact CG2-CG 3.76Å; T311-M377 WeakPolarHBondContact O-CG 3.47Å; T311-M377 PolarHBondContact O-N 2.88Å; M313-M377 VanDerWaalsContact CA-SD 3.55Å; M313-M377 HydrophobicContact CB-SD 3.44Å; M313-M377 WeakPolarHBondContact CB-SD 3.2Å; M313-M377 HydrophobicContact CG-SD 3.58Å; M313-M377 VanDerWaalsContact CG-SD 3.58Å; M313-M377 HydrophobicContact SD-SD 4.44Å; Q320-M377 HydrophobicContact CB-CE 4.39Å; Q320-M377 HydrophobicContact CG-CE 4.01Å; P375-M377 PolarHBondContact O-N 3.36Å; M377-A379 VanDerWaalsContact C-N 3.27Å; M377-A379 PolarHBondContact O-N 3.45Å; M377-L380 HydrophobicContact CE-CD2 3.97Å; M377-L380 WeakPolarHBondContact O-CB 3.38Å; M377-L380 PolarHBondContact O-N 2.83Å; M377-L380 HydrophobicContact SD-CD2 4.22Å; M377-D381 PolarHBondContact O-N 3.11Å
378L98.4Very high96.9Very high3 Ų326.8 Ų26.82%0.01614%0.138CC..Hα-helixtrans-60.6-36.5179.2-179.161.6000112.3L305 R308 M309 P375 G376 L380 D381 N382 T420 F451L305-L378 HydrophobicContact CB-CD1 4.44Å; L305-L378 HydrophobicContact CB-CD2 4.14Å; L305-L378 HydrophobicContact CD2-CD1 4.19Å; R308-L378 HydrophobicContact CB-CB 4.12Å; R308-L378 HydrophobicContact CB-CD1 4.36Å; R308-L378 PolarHBondContact O-N 3.39Å; R308-L378 VanDerWaalsContact O-N 3.09Å; M309-L378 HydrophobicContact CB-CB 4.44Å; M309-L378 HydrophobicContact CB-CD2 3.96Å; M309-L378 HydrophobicContact CG-CD2 4.42Å; P375-L378 WeakPolarHBondContact O-CB 3.4Å; P375-L378 PolarHBondContact O-N 3.23Å; G376-L378 VanDerWaalsContact C-N 3.27Å; G376-L378 PolarHBondContact O-N 3.39Å; L378-L380 VanDerWaalsContact C-N 3.32Å; L378-L380 PolarHBondContact O-N 3.29Å; L378-D381 PolarHBondContact O-N 3.21Å; L378-N382 PolarHBondContact O-N 3.12Å; L378-N382 PolarHBondContact O-ND2 2.99Å; L378-T420 HydrophobicContact CB-CG2 4.39Å; L378-T420 HydrophobicContact CD2-CG2 4.04Å; L378-T420 HydrophobicContact CG-CG2 3.9Å; L378-F451 HydrophobicContact CD1-CE1 4.11Å; L378-F451 HydrophobicContact CD2-CE1 4.06Å; L378-F451 HydrophobicContact CD2-CZ 4.15Å; L378-F451 HydrophobicContact CG-CE1 4.23Å
379A98.4Very high97Very high0 Ų029.7 Ų29.70%015%0.147CC..Hα-helixtrans-64.4-38.7175.300000112F370 P375 G376 M377 D381 N382 M383 I417 T420F370-A379 HydrophobicContact CD1-CB 4.28Å; F370-A379 HydrophobicContact CE1-CB 4.08Å; P375-A379 HydrophobicContact CB-CB 4.39Å; P375-A379 HydrophobicContact CG-CB 3.62Å; G376-A379 PolarHBondContact O-N 2.97Å; M377-A379 VanDerWaalsContact C-N 3.27Å; M377-A379 PolarHBondContact O-N 3.45Å; A379-D381 VanDerWaalsContact C-N 3.34Å; A379-N382 PolarHBondContact O-N 2.91Å; A379-M383 WeakPolarHBondContact O-CG 3.41Å; A379-M383 PolarHBondContact O-N 2.94Å; A379-I417 HydrophobicContact CB-CB 4.4Å; A379-I417 HydrophobicContact CB-CG1 3.96Å; A379-T420 HydrophobicContact CB-CG2 4.24Å
380L98Very high97.1Very high0 Ų032 Ų320%016%0.158CC..Hα-helixtrans-65.5-40.2177-175.459.8000111M313 I323 I324 L327 F370 M377 L378 M383 L384M313-L380 HydrophobicContact CE-CD2 4.16Å; M313-L380 HydrophobicContact SD-CD2 4.2Å; I323-L380 HydrophobicContact CB-CD2 4.12Å; I323-L380 HydrophobicContact CB-CG 4.44Å; I323-L380 HydrophobicContact CD1-CD2 4.41Å; I323-L380 HydrophobicContact CG2-CD1 3.9Å; I323-L380 HydrophobicContact CG2-CD2 3.99Å; I323-L380 HydrophobicContact CG2-CG 3.76Å; I324-L380 HydrophobicContact CG1-CD1 3.84Å; I324-L380 HydrophobicContact CG1-CD2 4.3Å; L327-L380 HydrophobicContact CD1-CD1 3.69Å; F370-L380 HydrophobicContact CD1-CB 3.91Å; F370-L380 HydrophobicContact CE1-CB 3.71Å; F370-L380 HydrophobicContact CE1-CD1 4.24Å; F370-L380 HydrophobicContact CE2-CD1 4.12Å; F370-L380 HydrophobicContact CZ-CB 4.14Å; F370-L380 HydrophobicContact CZ-CD1 3.79Å; M377-L380 HydrophobicContact CE-CD2 3.97Å; M377-L380 WeakPolarHBondContact O-CB 3.38Å; M377-L380 PolarHBondContact O-N 2.83Å; M377-L380 HydrophobicContact SD-CD2 4.22Å; L378-L380 VanDerWaalsContact C-N 3.32Å; L378-L380 PolarHBondContact O-N 3.29Å; L380-M383 PolarHBondContact O-N 3.1Å; L380-L384 WeakPolarHBondContact O-CB 3.15Å; L380-L384 PolarHBondContact O-N 3.24Å
381D98.3Very high97Very high34 Ų3436 Ų3618%0.18218%0.176CC..Hα-helixtrans-61.3-46.2175.4-63.8-29.5000111.5R308 M377 L378 A379 L384 Y385R308-D381 IonicContact CZ-OD1 2.94Å; R308-D381 IonicContact CZ-OD2 3.83Å; R308-D381 IonicContact NE-OD2 2.6Å; R308-D381 PolarHBondContact NE-OD2 2.97Å; R308-D381 IonicContact NH2-OD1 2.88Å; R308-D381 PolarHBondContact NH2-OD1 3.43Å; R308-D381 IonicContact NH2-OD2 2.76Å; R308-D381 PolarHBondContact NH2-OD2 3.16Å; M377-D381 PolarHBondContact O-N 3.11Å; L378-D381 PolarHBondContact O-N 3.21Å; A379-D381 VanDerWaalsContact C-N 3.34Å; D381-L384 PolarHBondContact O-N 3.02Å; D381-Y385 WeakPolarHBondContact O-CB 3.35Å; D381-Y385 PolarHBondContact O-N 3.39Å
382N98.6Very high97Very high0 Ų039.7 Ų39.70%020%0.195CC..Hα-helixtrans-62-43.9177.3-70.4-22.4000112.4L378 A379 Y385 F386 T420 F451 F455L378-N382 PolarHBondContact O-N 3.12Å; L378-N382 PolarHBondContact O-ND2 2.99Å; A379-N382 PolarHBondContact O-N 2.91Å; N382-Y385 PolarHBondContact O-N 3.23Å; N382-F386 WeakPolarHBondContact O-CB 3.33Å; N382-F386 PolarHBondContact O-N 3.21Å; N382-T420 WeakPolarHBondContact ND2-CG2 3.47Å; N382-T420 PolarHBondContact ND2-OG1 3.16Å; N382-T420 VanDerWaalsContact ND2-OG1 3.11Å; N382-F451 WeakPolarHBondContact ND2-CE1 3.43Å; N382-F455 HydrophobicContact CB-CD1 3.69Å; N382-F455 HydrophobicContact CB-CD2 4Å; N382-F455 HydrophobicContact CB-CE1 3.79Å; N382-F455 HydrophobicContact CB-CE2 4.1Å; N382-F455 HydrophobicContact CB-CG 3.8Å; N382-F455 HydrophobicContact CB-CZ 4.01Å
383M98.5Very high97.2Very high0 Ų034.5 Ų34.50%017%0.173CC..Hα-helixtrans-62.3-45.2176.7-69.5166.177.300111L327 F360 F370 A379 L380 Y385 F386 A387 F412 S416L327-M383 HydrophobicContact CD1-CB 3.9Å; L327-M383 HydrophobicContact CD1-CE 4.03Å; L327-M383 HydrophobicContact CD2-CB 4.11Å; L327-M383 WeakPolarHBondContact CD2-O 3.3Å; F360-M383 HydrophobicContact CE1-CE 3.85Å; F360-M383 HydrophobicContact CZ-CE 3.79Å; F370-M383 HydrophobicContact CE1-SD 3.89Å; F370-M383 HydrophobicContact CZ-CE 4.39Å; F370-M383 HydrophobicContact CZ-SD 3.76Å; A379-M383 WeakPolarHBondContact O-CG 3.41Å; A379-M383 PolarHBondContact O-N 2.94Å; L380-M383 PolarHBondContact O-N 3.1Å; M383-Y385 VanDerWaalsContact C-N 3.34Å; M383-F386 PolarHBondContact O-N 3.35Å; M383-A387 WeakPolarHBondContact O-CB 3.3Å; M383-A387 PolarHBondContact O-N 3.28Å; M383-F412 HydrophobicContact CB-CE1 4.48Å; M383-F412 HydrophobicContact CB-CZ 4.46Å; M383-F412 HydrophobicContact CE-CD1 3.89Å; M383-F412 HydrophobicContact CE-CE1 3.39Å; M383-F412 HydrophobicContact CE-CZ 4.3Å; M383-F412 HydrophobicContact CG-CE1 4.15Å; M383-F412 HydrophobicContact CG-CZ 4.16Å; M383-S416 VanDerWaalsContact CG-CB 3.5Å
384L98.3Very high97.4Very high29 Ų2931.6 Ų31.615%0.15216%0.158CC..Hα-helixtrans-64.9-40.8178.8-174.468000111.3I323 E326 L327 L380 D381 A387 K388I323-L384 HydrophobicContact CG2-CB 4.25Å; I323-L384 HydrophobicContact CG2-CD1 4.08Å; I323-L384 HydrophobicContact CG2-CD2 3.77Å; I323-L384 HydrophobicContact CG2-CG 4.24Å; E326-L384 HydrophobicContact CG-CD1 4.15Å; L327-L384 HydrophobicContact CD2-CB 4.46Å; L327-L384 HydrophobicContact CD2-CD1 4.35Å; L380-L384 WeakPolarHBondContact O-CB 3.15Å; L380-L384 PolarHBondContact O-N 3.24Å; D381-L384 PolarHBondContact O-N 3.02Å; L384-A387 PolarHBondContact O-N 3.45Å; L384-K388 HydrophobicContact CD1-CD 4.23Å; L384-K388 HydrophobicContact CD1-CG 4.43Å; L384-K388 HydrophobicContact CG-CD 4.15Å; L384-K388 WeakPolarHBondContact O-CB 3.17Å; L384-K388 WeakPolarHBondContact O-CG 3.44Å; L384-K388 PolarHBondContact O-N 2.92Å
385Y98.6Very high97.5Very high25 Ų2530.5 Ų30.510%0.09815%0.149CC..Hα-helixtrans-58.8-50.8174.7-172.7-86.1000110.7D381 N382 M383 A387 K388 H389 H447 R449 E452 E453D381-Y385 WeakPolarHBondContact O-CB 3.35Å; D381-Y385 PolarHBondContact O-N 3.39Å; N382-Y385 PolarHBondContact O-N 3.23Å; M383-Y385 VanDerWaalsContact C-N 3.34Å; Y385-A387 VanDerWaalsContact C-N 3.33Å; Y385-A387 PolarHBondContact O-N 3.14Å; Y385-K388 PolarHBondContact O-N 3.43Å; Y385-H389 HydrophobicContact CD1-CB 4.3Å; Y385-H389 AromaticContact CD2-CD2 3.39Å; Y385-H389 WeakPolarHBondContact CD2-CD2 3.42Å; Y385-H389 AromaticContact CD2-NE2 3.71Å; Y385-H389 HydrophobicContact CE1-CB 3.99Å; Y385-H389 AromaticContact CE2-CD2 3.37Å; Y385-H389 WeakPolarHBondContact CE2-CD2 3.48Å; Y385-H389 AromaticContact CE2-CG 3.9Å; Y385-H389 AromaticContact CE2-NE2 3.5Å; Y385-H389 WeakPolarHBondContact CE2-NE2 3.44Å; Y385-H389 AromaticContact CG-CD2 3.74Å; Y385-H389 AromaticContact CZ-CD2 3.72Å; Y385-H389 AromaticContact CZ-CG 3.78Å; Y385-H389 WeakPolarHBondContact O-CB 3.36Å; Y385-H389 PolarHBondContact O-CD2 3.01Å; Y385-H389 PolarHBondContact O-N 3.28Å; Y385-H447 PolarHBondContact OH-CE1 2.76Å; Y385-R449 HydrophobicContact CE2-CB 3.88Å; Y385-R449 HydrophobicContact CE2-CG 4.01Å; Y385-E452 HydrophobicContact CD1-CB 3.39Å; Y385-E452 HydrophobicContact CD1-CG 4.22Å; Y385-E452 HydrophobicContact CD2-CB 3.98Å; Y385-E452 HydrophobicContact CD2-CG 4.04Å; Y385-E452 HydrophobicContact CE1-CB 3.6Å; Y385-E452 HydrophobicContact CE2-CB 4.19Å; Y385-E452 HydrophobicContact CG-CB 3.58Å; Y385-E452 HydrophobicContact CG-CG 3.88Å; Y385-E453 HydrophobicContact CE1-CG 4.46Å; Y385-E453 WeakPolarHBondContact CE1-OE1 3.21Å; Y385-E453 PolarHBondContact OH-OE1 2.9Å; Y385-E453 VanDerWaalsContact OH-OE1 3.14Å
386F98.6Very high97.4Very high0 Ų037.1 Ų37.10%017%0.174CC..Hα-helixtrans-59.1-43.5177.7-176.1-131000112.1N382 M383 K388 H390 A393 Y394 I397 F412 F455 C456 I459 Q460N382-F386 WeakPolarHBondContact O-CB 3.33Å; N382-F386 PolarHBondContact O-N 3.21Å; M383-F386 PolarHBondContact O-N 3.35Å; F386-K388 VanDerWaalsContact C-N 3.34Å; F386-K388 PolarHBondContact O-N 2.72Å; F386-H390 HydrophobicContact CD2-CB 3.61Å; F386-H390 HydrophobicContact CE2-CB 3.64Å; F386-H390 CarbonylContact O-C 3.59Å; F386-H390 VanDerWaalsContact O-C 3.25Å; F386-H390 WeakPolarHBondContact O-CA 3.41Å; F386-H390 PolarHBondContact O-N 2.8Å; F386-A393 HydrophobicContact CE2-CB 3.91Å; F386-A393 HydrophobicContact CZ-CB 3.84Å; F386-Y394 AromaticContact CD1-CD2 3.8Å; F386-Y394 HydrophobicContact CD1-CD2 3.8Å; F386-Y394 HydrophobicContact CD1-CG 4.28Å; F386-Y394 VanDerWaalsContact CE1-CA 3.46Å; F386-Y394 HydrophobicContact CE1-CD2 4.09Å; F386-Y394 HydrophobicContact CE1-CG 4.45Å; F386-I397 HydrophobicContact CE1-CD1 3.93Å; F386-I397 HydrophobicContact CZ-CD1 3.81Å; F386-F412 HydrophobicContact CD1-CE2 4.05Å; F386-F412 HydrophobicContact CD1-CZ 4.24Å; F386-F412 HydrophobicContact CE1-CE2 4.19Å; F386-F455 HydrophobicContact CB-CE1 4.15Å; F386-C456 HydrophobicContact CD2-CB 3.77Å; F386-C456 WeakPolarHBondContact CD2-SG 3.49Å; F386-C456 HydrophobicContact CE2-CB 4.24Å; F386-I459 HydrophobicContact CD1-CG2 4.11Å; F386-I459 HydrophobicContact CE1-CG2 3.89Å; F386-I459 HydrophobicContact CE2-CG2 4.36Å; F386-I459 HydrophobicContact CG-CG2 4.44Å; F386-I459 HydrophobicContact CZ-CG2 4.04Å; F386-Q460 HydrophobicContact CZ-CG 4.3Å
387A97.8Very high97.3Very high0 Ų037.6 Ų37.60%018%0.176CC..Hα-helixtrans-64.4-34.7178.800000113.6L327 I330 M383 L384 Y385 Q391 Y394L327-A387 HydrophobicContact CD2-CB 3.64Å; I330-A387 HydrophobicContact CD1-CB 3.97Å; I330-A387 HydrophobicContact CG2-CB 4.32Å; M383-A387 WeakPolarHBondContact O-CB 3.3Å; M383-A387 PolarHBondContact O-N 3.28Å; L384-A387 PolarHBondContact O-N 3.45Å; Y385-A387 VanDerWaalsContact C-N 3.33Å; Y385-A387 PolarHBondContact O-N 3.14Å; A387-Q391 WeakPolarHBondContact O-CA 3.29Å; A387-Q391 WeakPolarHBondContact O-CB 3.5Å; A387-Y394 HydrophobicContact CB-CD1 3.57Å; A387-Y394 HydrophobicContact CB-CD2 4.16Å; A387-Y394 HydrophobicContact CB-CE1 3.64Å; A387-Y394 HydrophobicContact CB-CE2 4.22Å; A387-Y394 HydrophobicContact CB-CG 3.83Å
388K97.3Very high97.1Very high115 Ų11537.3 Ų37.350%0.518%0.175SC..Hα-helixtrans-87.9-38-178.3-74-177.1173.3176.50113.9I330 L384 Y385 F386I330-K388 HydrophobicContact CD1-CG 4.22Å; L384-K388 HydrophobicContact CD1-CD 4.23Å; L384-K388 HydrophobicContact CD1-CG 4.43Å; L384-K388 HydrophobicContact CG-CD 4.15Å; L384-K388 WeakPolarHBondContact O-CB 3.17Å; L384-K388 WeakPolarHBondContact O-CG 3.44Å; L384-K388 PolarHBondContact O-N 2.92Å; Y385-K388 PolarHBondContact O-N 3.43Å; F386-K388 VanDerWaalsContact C-N 3.34Å; F386-K388 PolarHBondContact O-N 2.72Å
389H97.4Very high96.8Very high115 Ų11540.7 Ų40.753%0.53219%0.192SC..Hα-helixtrans-95.1-28.7-173.4-69.1-86.5000113.1Y385Y385-H389 HydrophobicContact CD1-CB 4.3Å; Y385-H389 AromaticContact CD2-CD2 3.39Å; Y385-H389 WeakPolarHBondContact CD2-CD2 3.42Å; Y385-H389 AromaticContact CD2-NE2 3.71Å; Y385-H389 HydrophobicContact CE1-CB 3.99Å; Y385-H389 AromaticContact CE2-CD2 3.37Å; Y385-H389 WeakPolarHBondContact CE2-CD2 3.48Å; Y385-H389 AromaticContact CE2-CG 3.9Å; Y385-H389 AromaticContact CE2-NE2 3.5Å; Y385-H389 WeakPolarHBondContact CE2-NE2 3.44Å; Y385-H389 AromaticContact CG-CD2 3.74Å; Y385-H389 AromaticContact CZ-CD2 3.72Å; Y385-H389 AromaticContact CZ-CG 3.78Å; Y385-H389 WeakPolarHBondContact O-CB 3.36Å; Y385-H389 PolarHBondContact O-CD2 3.01Å; Y385-H389 PolarHBondContact O-N 3.28Å
390H97.2Very high96.4Very high61 Ų6144 Ų4428%0.28221%0.208SC..SBendtrans-126.146.2179.3-62.4-80.9000110.6F386 D392 A393 Y394 E453F386-H390 HydrophobicContact CD2-CB 3.61Å; F386-H390 HydrophobicContact CE2-CB 3.64Å; F386-H390 CarbonylContact O-C 3.59Å; F386-H390 VanDerWaalsContact O-C 3.25Å; F386-H390 WeakPolarHBondContact O-CA 3.41Å; F386-H390 PolarHBondContact O-N 2.8Å; H390-D392 VanDerWaalsContact C-N 3.32Å; H390-D392 PolarHBondContact O-N 2.98Å; H390-A393 HydrophobicContact CB-CB 4.37Å; H390-A393 PolarHBondContact O-N 3.3Å; H390-Y394 PolarHBondContact O-N 3.47Å; H390-E453 IonicContact CD2-OE1 2.64Å; H390-E453 IonicContact CE1-OE1 3.32Å; H390-E453 IonicContact CE1-OE2 3.69Å; H390-E453 PolarHBondContact CE1-OE2 2.86Å; H390-E453 VanDerWaalsContact NE2-CD 3.29Å; H390-E453 IonicContact NE2-OE1 2.65Å; H390-E453 PolarHBondContact NE2-OE1 3.43Å; H390-E453 IonicContact NE2-OE2 3.61Å; H390-E453 PolarHBondContact NE2-OE2 2.62Å
391Q96Very high95.8Very high83 Ų8344.3 Ų44.339%0.38821%0.21SC..Hα-helixtrans-51.2-45.4-170.3-173175.91.900113.3I330 A387 A393 Y394 I395I330-Q391 HydrophobicContact CG2-CG 3.82Å; A387-Q391 WeakPolarHBondContact O-CA 3.29Å; A387-Q391 WeakPolarHBondContact O-CB 3.5Å; Q391-A393 VanDerWaalsContact C-N 3.33Å; Q391-A393 PolarHBondContact O-N 3.36Å; Q391-Y394 PolarHBondContact O-N 2.74Å; Q391-I395 HydrophobicContact CG-CD1 3.67Å; Q391-I395 HydrophobicContact CG-CG1 4.24Å; Q391-I395 WeakPolarHBondContact O-CB 3.26Å; Q391-I395 VanDerWaalsContact O-CG1 3.31Å; Q391-I395 WeakPolarHBondContact O-CG1 3.28Å; Q391-I395 PolarHBondContact O-N 3.4Å
392D96.3Very high95.1Very high123 Ų12343.6 Ų43.666%0.65821%0.207SC*.Hα-helixtrans-62.1-39.3179.3-68.7-23.7000112.8H390 R396H390-D392 VanDerWaalsContact C-N 3.32Å; H390-D392 PolarHBondContact O-N 2.98Å; D392-R396 WeakPolarHBondContact O-CB 3.45Å; D392-R396 PolarHBondContact O-N 3.3Å; D392-R396 VanDerWaalsContact O-N 3.08Å
393A96.7Very high93.9Very high15 Ų1548 Ų4812%0.12424%0.238CC..Hα-helixtrans-72.1-39.7177.500000110.9F386 H390 Q391 R396 I397F386-A393 HydrophobicContact CE2-CB 3.91Å; F386-A393 HydrophobicContact CZ-CB 3.84Å; H390-A393 HydrophobicContact CB-CB 4.37Å; H390-A393 PolarHBondContact O-N 3.3Å; Q391-A393 VanDerWaalsContact C-N 3.33Å; Q391-A393 PolarHBondContact O-N 3.36Å; A393-R396 PolarHBondContact O-N 2.9Å; A393-I397 VanDerWaalsContact O-CG1 3.31Å; A393-I397 WeakPolarHBondContact O-CG1 3.39Å; A393-I397 PolarHBondContact O-N 2.97Å
394Y97.4Very high92.7Very high0 Ų052.9 Ų52.90%026%0.256CS..Hα-helixtrans-60.2-54.9174.8169.2-109.9000112.1L327 I330 A331 F386 A387 H390 Q391 R396 I397 V398 F412L327-Y394 PolarHBondContact O-OH 3.39Å; I330-Y394 HydrophobicContact CB-CE1 4.09Å; I330-Y394 HydrophobicContact CG2-CD1 3.79Å; I330-Y394 HydrophobicContact CG2-CE1 3.77Å; A331-Y394 HydrophobicContact CB-CE1 3.88Å; F386-Y394 AromaticContact CD1-CD2 3.8Å; F386-Y394 HydrophobicContact CD1-CD2 3.8Å; F386-Y394 HydrophobicContact CD1-CG 4.28Å; F386-Y394 VanDerWaalsContact CE1-CA 3.46Å; F386-Y394 HydrophobicContact CE1-CD2 4.09Å; F386-Y394 HydrophobicContact CE1-CG 4.45Å; A387-Y394 HydrophobicContact CB-CD1 3.57Å; A387-Y394 HydrophobicContact CB-CD2 4.16Å; A387-Y394 HydrophobicContact CB-CE1 3.64Å; A387-Y394 HydrophobicContact CB-CE2 4.22Å; A387-Y394 HydrophobicContact CB-CG 3.83Å; H390-Y394 PolarHBondContact O-N 3.47Å; Q391-Y394 PolarHBondContact O-N 2.74Å; Y394-R396 VanDerWaalsContact C-N 3.28Å; Y394-R396 PolarHBondContact O-N 2.93Å; Y394-I397 PolarHBondContact O-N 3.43Å; Y394-V398 HydrophobicContact CD2-CG2 4.04Å; Y394-V398 HydrophobicContact CE2-CG2 3.61Å; Y394-V398 WeakPolarHBondContact O-CG2 3.28Å; Y394-V398 PolarHBondContact O-N 3.37Å; Y394-F412 HydrophobicContact CD2-CE1 4.21Å; Y394-F412 HydrophobicContact CD2-CE2 4.13Å; Y394-F412 AromaticContact CD2-CZ 3.73Å; Y394-F412 HydrophobicContact CD2-CZ 3.73Å; Y394-F412 HydrophobicContact CE2-CD1 4.23Å; Y394-F412 AromaticContact CE2-CE1 3.51Å; Y394-F412 HydrophobicContact CE2-CE1 3.51Å; Y394-F412 HydrophobicContact CE2-CE2 4.22Å; Y394-F412 AromaticContact CE2-CZ 3.5Å; Y394-F412 HydrophobicContact CE2-CZ 3.5Å
395I95.2Very high91.2Very high28 Ų2861.2 Ų61.214%0.14429%0.294CS..Hα-helixtrans-57.1-45.8178.8-68.7171.6000109.8V334 Q391 I397 V398 L399V334-I395 HydrophobicContact CG2-CD1 4.01Å; Q391-I395 HydrophobicContact CG-CD1 3.67Å; Q391-I395 HydrophobicContact CG-CG1 4.24Å; Q391-I395 WeakPolarHBondContact O-CB 3.26Å; Q391-I395 VanDerWaalsContact O-CG1 3.31Å; Q391-I395 WeakPolarHBondContact O-CG1 3.28Å; Q391-I395 PolarHBondContact O-N 3.4Å; I395-I397 PolarHBondContact O-N 3.25Å; I395-V398 PolarHBondContact O-N 2.93Å; I395-L399 HydrophobicContact CG2-CD1 3.49Å; I395-L399 VanDerWaalsContact CG2-CD1 3.49Å; I395-L399 HydrophobicContact CG2-CG 3.95Å; I395-L399 WeakPolarHBondContact O-CB 3.27Å; I395-L399 WeakPolarHBondContact O-CG 3.37Å; I395-L399 PolarHBondContact O-N 3.23Å
396R94.3Very high90.1Very high140 Ų14063.4 Ų63.453%0.52831%0.308SS..Hα-helixtrans-57.7-49.3178-172.9-174.2-43.9152.410.6112D392 A393 Y394 V398 L399 E400D392-R396 WeakPolarHBondContact O-CB 3.45Å; D392-R396 PolarHBondContact O-N 3.3Å; D392-R396 VanDerWaalsContact O-N 3.08Å; A393-R396 PolarHBondContact O-N 2.9Å; Y394-R396 VanDerWaalsContact C-N 3.28Å; Y394-R396 PolarHBondContact O-N 2.93Å; R396-V398 VanDerWaalsContact C-N 3.34Å; R396-V398 PolarHBondContact O-N 3.46Å; R396-L399 PolarHBondContact O-N 2.82Å; R396-E400 HydrophobicContact CG-CG 4.15Å; R396-E400 WeakPolarHBondContact CG-OE1 3.32Å; R396-E400 WeakPolarHBondContact O-CB 3.42Å; R396-E400 WeakPolarHBondContact O-CG 3.41Å; R396-E400 PolarHBondContact O-N 2.93Å
397I94.9Very high89.5Confident11 Ų1171.4 Ų71.46%0.05634%0.343CS..Hα-helixtrans-60.7-43.8178.5-71177.3000111F386 A393 Y394 I395 N401 F412 Q460 N463F386-I397 HydrophobicContact CE1-CD1 3.93Å; F386-I397 HydrophobicContact CZ-CD1 3.81Å; A393-I397 VanDerWaalsContact O-CG1 3.31Å; A393-I397 WeakPolarHBondContact O-CG1 3.39Å; A393-I397 PolarHBondContact O-N 2.97Å; Y394-I397 PolarHBondContact O-N 3.43Å; I395-I397 PolarHBondContact O-N 3.25Å; I397-N401 PolarHBondContact O-N 3.03Å; I397-N401 PolarHBondContact O-ND2 3Å; I397-F412 HydrophobicContact CG2-CD2 3.95Å; I397-Q460 HydrophobicContact CD1-CG 3.95Å; I397-N463 HydrophobicContact CD1-CB 4.4Å; I397-N463 HydrophobicContact CG1-CB 4.49Å
398V94.1Very high89Confident2 Ų274.4 Ų74.41%0.01236%0.356CS..Hα-helixtrans-68.5-46.6-178.7175.40000111.5A331 F332 L358 Y394 I395 R396 N401 S402 F412A331-V398 HydrophobicContact CB-CB 4.31Å; A331-V398 HydrophobicContact CB-CG1 3.86Å; A331-V398 HydrophobicContact CB-CG2 4.48Å; F332-V398 HydrophobicContact CE1-CG1 3.92Å; F332-V398 HydrophobicContact CZ-CG1 3.7Å; L358-V398 HydrophobicContact CD2-CG1 3.75Å; L358-V398 HydrophobicContact CD2-CG2 3.93Å; L358-V398 HydrophobicContact CG-CG1 4.44Å; Y394-V398 HydrophobicContact CD2-CG2 4.04Å; Y394-V398 HydrophobicContact CE2-CG2 3.61Å; Y394-V398 WeakPolarHBondContact O-CG2 3.28Å; Y394-V398 PolarHBondContact O-N 3.37Å; I395-V398 PolarHBondContact O-N 2.93Å; R396-V398 VanDerWaalsContact C-N 3.34Å; R396-V398 PolarHBondContact O-N 3.46Å; V398-N401 PolarHBondContact O-N 3.38Å; V398-S402 WeakPolarHBondContact O-CB 3.46Å; V398-S402 PolarHBondContact O-N 2.98Å; V398-S402 PolarHBondContact O-OG 2.94Å; V398-F412 HydrophobicContact CG2-CD1 4.31Å; V398-F412 HydrophobicContact CG2-CG 4.23Å
399L91.1Very high88.7Confident73 Ų7372.5 Ų72.538%0.38235%0.349SS..Hα-helixtrans-70.7-39-177.4-65.9-175.6000112.6F332 I395 R396 N401 S402 S403F332-L399 HydrophobicContact CD1-CD2 3.97Å; F332-L399 HydrophobicContact CE1-CD2 4.01Å; I395-L399 HydrophobicContact CG2-CD1 3.49Å; I395-L399 VanDerWaalsContact CG2-CD1 3.49Å; I395-L399 HydrophobicContact CG2-CG 3.95Å; I395-L399 WeakPolarHBondContact O-CB 3.27Å; I395-L399 WeakPolarHBondContact O-CG 3.37Å; I395-L399 PolarHBondContact O-N 3.23Å; R396-L399 PolarHBondContact O-N 2.82Å; L399-N401 PolarHBondContact O-N 3.17Å; L399-S402 WeakPolarHBondContact CA-OG 3.48Å; L399-S402 PolarHBondContact O-N 2.89Å; L399-S402 PolarHBondContact O-OG 3.35Å; L399-S403 WeakPolarHBondContact O-CB 3.37Å; L399-S403 PolarHBondContact O-N 3.26Å; L399-S403 VanDerWaalsContact O-N 3.12Å; L399-S403 PolarHBondContact O-OG 2.94Å
400E89.4Confident88.5Confident71 Ų7167.3 Ų67.333%0.33233%0.326SS..Hα-helixtrans-61.9-32.5177.1-76.7175.2170.600112.9R396 R404 K467R396-E400 HydrophobicContact CG-CG 4.15Å; R396-E400 WeakPolarHBondContact CG-OE1 3.32Å; R396-E400 WeakPolarHBondContact O-CB 3.42Å; R396-E400 WeakPolarHBondContact O-CG 3.41Å; R396-E400 PolarHBondContact O-N 2.93Å; E400-R404 WeakPolarHBondContact O-CD 3.45Å; E400-R404 WeakPolarHBondContact O-CG 3.46Å; E400-K467 IonicContact OE2-NZ 3.81Å; E400-K467 PolarHBondContact OE2-NZ 3.31Å
401N86.9Confident88.4Confident6 Ų665.2 Ų65.23%0.03232%0.318CS..Hα-helixtrans-92.3-30.3-179.8-71.3-65.8000112.5I397 V398 L399 E409 C410 N463I397-N401 PolarHBondContact O-N 3.03Å; I397-N401 PolarHBondContact O-ND2 3Å; V398-N401 PolarHBondContact O-N 3.38Å; L399-N401 PolarHBondContact O-N 3.17Å; N401-E409 WeakPolarHBondContact O-CB 3.46Å; N401-C410 WeakPolarHBondContact OD1-CB 3.27Å; N401-C410 PolarHBondContact OD1-N 2.93Å; N401-N463 PolarHBondContact ND2-OD1 3.5Å
402S83.2Confident88.4Confident18 Ų1861.5 Ų61.513%0.12630%0.3CS..Hα-helixtrans-82.9-17.1-179.1620000115.3V398 L399V398-S402 WeakPolarHBondContact O-CB 3.46Å; V398-S402 PolarHBondContact O-N 2.98Å; V398-S402 PolarHBondContact O-OG 2.94Å; L399-S402 WeakPolarHBondContact CA-OG 3.48Å; L399-S402 PolarHBondContact O-N 2.89Å; L399-S402 PolarHBondContact O-OG 3.35Å
403S73.8Confident88.4Confident92 Ų9255.7 Ų55.764%0.64327%0.269SS*.SBendtrans-89-8175.656.60000113.3L399L399-S403 WeakPolarHBondContact O-CB 3.37Å; L399-S403 PolarHBondContact O-N 3.26Å; L399-S403 VanDerWaalsContact O-N 3.12Å; L399-S403 PolarHBondContact O-OG 2.94Å
404R72.7Confident88.4Confident103 Ų10358.8 Ų58.839%0.38928%0.278SS..  trans-80126.1176.5-76.1177.3165.9-131.3-8.5110.1E400E400-R404 WeakPolarHBondContact O-CD 3.45Å; E400-R404 WeakPolarHBondContact O-CG 3.46Å
405E66.4Low88.4Confident204 Ų20458.9 Ų58.995%0.95328%0.278SS*.  trans-95.80.7172-61.4-171.6165.900112.2
406D75.5Confident88.6Confident72 Ų7257.5 Ų57.539%0.38527%0.271SS..SBendtrans-85.6172.2174.167.315.3000111.7H408D406-H408 PolarHBondContact O-N 2.97Å; D406-H408 WeakPolarHBondContact OD1-CB 3.25Å; D406-H408 PolarHBondContact OD1-N 3.28Å; D406-H408 IonicContact OD2-CD2 3.03Å
407K85.6Confident88.8Confident167 Ų16751.7 Ų51.773%0.72625%0.25SS*.THydrogen-bonded Turntrans-7913.2-179.8-61.4-177.6177.9-177.70113.6E409 T472K407-E409 WeakPolarHBondContact CA-OE2 2.84Å; K407-T472 HydrophobicContact CB-CG2 4.26Å; K407-T472 WeakPolarHBondContact O-CA 3.39Å; K407-T472 WeakPolarHBondContact O-CB 3.43Å; K407-T472 WeakPolarHBondContact O-CG2 3.3Å
408H88.8Confident89Confident63 Ų6354.2 Ų54.229%0.29226%0.262SS..THydrogen-bonded Turntrans-107.915.6-170.8-62.4-67.6000113D406 C410 W466 R470 A471D406-H408 PolarHBondContact O-N 2.97Å; D406-H408 WeakPolarHBondContact OD1-CB 3.25Å; D406-H408 PolarHBondContact OD1-N 3.28Å; D406-H408 IonicContact OD2-CD2 3.03Å; H408-C410 PolarHBondContact O-N 3.1Å; H408-W466 PolarHBondContact O-NE1 3.06Å; H408-R470 PolarHBondContact CE1-O 3.16Å; H408-R470 PolarHBondContact ND1-O 3.02Å; H408-A471 WeakPolarHBondContact CA-O 3.28Å; H408-A471 PolarHBondContact ND1-O 3.36Å
409E90.4Very high89.2Confident75 Ų7554.1 Ų54.135%0.3526%0.261SS..  trans-68.2127.1174.273.8-77-15600111.2N401 K407 P411 W466N401-E409 WeakPolarHBondContact O-CB 3.46Å; K407-E409 WeakPolarHBondContact CA-OE2 2.84Å; E409-P411 WeakPolarHBondContact O-CD 3.31Å; E409-W466 VanDerWaalsContact O-CZ2 3.25Å; E409-W466 WeakPolarHBondContact O-CZ2 3.36Å
410C93.1Very high89.6Confident6 Ų650.7 Ų50.74%0.04124%0.243CC..  trans-82.6118.1172-173.90000109.5N401 H408 F412 S415 L462 W466N401-C410 WeakPolarHBondContact OD1-CB 3.27Å; N401-C410 PolarHBondContact OD1-N 2.93Å; H408-C410 PolarHBondContact O-N 3.1Å; C410-F412 PolarHBondContact O-N 2.85Å; C410-S415 PolarHBondContact SG-OG 3.38Å; C410-L462 VanDerWaalsContact SG-CD2 3.6Å; C410-W466 HydrophobicContact CB-CB 4.45Å; C410-W466 HydrophobicContact CB-CD2 3.87Å; C410-W466 HydrophobicContact CB-CG 3.76Å
411P94.6Very high90Very high17 Ų1750.2 Ų50.211%0.1124%0.24CC..  trans-76100-176.429.9-34000110.4G359 E409 G413 R414 S415 F476G359-P411 WeakPolarHBondContact O-CB 3.23Å; E409-P411 WeakPolarHBondContact O-CD 3.31Å; P411-G413 PolarHBondContact O-N 3.38Å; P411-R414 HydrophobicContact CB-CB 4.1Å; P411-R414 HydrophobicContact CG-CB 4.13Å; P411-R414 PolarHBondContact O-N 3.46Å; P411-S415 WeakPolarHBondContact O-CB 3.42Å; P411-S415 PolarHBondContact O-N 2.89Å; P411-S415 PolarHBondContact O-OG 3.19Å; P411-F476 HydrophobicContact CG-CD2 4.24Å; P411-F476 HydrophobicContact CG-CE2 4.17Å
412F96.7Very high90.5Very high6 Ų650.3 Ų50.33%0.02624%0.241CC..Hα-helixtrans-56.8-46.6-173.5171.5-95.5000113.3L358 M383 F386 Y394 I397 V398 C410 S415 S416 I459L358-F412 HydrophobicContact CD2-CD1 4.49Å; L358-F412 WeakPolarHBondContact O-CB 3.26Å; L358-F412 PolarHBondContact O-N 3.02Å; M383-F412 HydrophobicContact CB-CE1 4.48Å; M383-F412 HydrophobicContact CB-CZ 4.46Å; M383-F412 HydrophobicContact CE-CD1 3.89Å; M383-F412 HydrophobicContact CE-CE1 3.39Å; M383-F412 HydrophobicContact CE-CZ 4.3Å; M383-F412 HydrophobicContact CG-CE1 4.15Å; M383-F412 HydrophobicContact CG-CZ 4.16Å; F386-F412 HydrophobicContact CD1-CE2 4.05Å; F386-F412 HydrophobicContact CD1-CZ 4.24Å; F386-F412 HydrophobicContact CE1-CE2 4.19Å; Y394-F412 HydrophobicContact CD2-CE1 4.21Å; Y394-F412 HydrophobicContact CD2-CE2 4.13Å; Y394-F412 AromaticContact CD2-CZ 3.73Å; Y394-F412 HydrophobicContact CD2-CZ 3.73Å; Y394-F412 HydrophobicContact CE2-CD1 4.23Å; Y394-F412 AromaticContact CE2-CE1 3.51Å; Y394-F412 HydrophobicContact CE2-CE1 3.51Å; Y394-F412 HydrophobicContact CE2-CE2 4.22Å; Y394-F412 AromaticContact CE2-CZ 3.5Å; Y394-F412 HydrophobicContact CE2-CZ 3.5Å; I397-F412 HydrophobicContact CG2-CD2 3.95Å; V398-F412 HydrophobicContact CG2-CD1 4.31Å; V398-F412 HydrophobicContact CG2-CG 4.23Å; C410-F412 PolarHBondContact O-N 2.85Å; F412-S415 PolarHBondContact O-N 2.67Å; F412-S416 WeakPolarHBondContact CE2-OG 2.8Å; F412-S416 WeakPolarHBondContact CZ-OG 3.36Å; F412-S416 VanDerWaalsContact O-CB 3.3Å; F412-S416 WeakPolarHBondContact O-CB 3.38Å; F412-S416 PolarHBondContact O-N 3.26Å; F412-S416 PolarHBondContact O-OG 2.87Å; F412-I459 HydrophobicContact CD2-CG1 4.39Å; F412-I459 HydrophobicContact CE2-CG1 4.09Å
413G96.2Very high91.3Very high0 Ų049.5 Ų49.50%024%0.235CC..Hα-helixtrans-58.9-56.8178.900000112.5L358 P411 S415 S416 I417L358-G413 PolarHBondContact O-N 3.09Å; P411-G413 PolarHBondContact O-N 3.38Å; G413-S415 VanDerWaalsContact C-N 3.33Å; G413-S415 PolarHBondContact O-N 2.87Å; G413-S416 PolarHBondContact O-N 2.93Å; G413-I417 WeakPolarHBondContact O-CG1 3.42Å; G413-I417 PolarHBondContact O-N 3.44Å
414R96.6Very high92.4Very high81 Ų8145.3 Ų45.331%0.30621%0.206SC..Hα-helixtrans-57.8-43.9176.6-178.2-179176.4-169.2-2.3112.4G359 I361 P411 E418 F476G359-R414 PolarHBondContact O-N 3.3Å; I361-R414 HydrophobicContact CD1-CG 4.12Å; I361-R414 HydrophobicContact CG1-CB 4.15Å; I361-R414 HydrophobicContact CG1-CG 4.17Å; P411-R414 HydrophobicContact CB-CB 4.1Å; P411-R414 HydrophobicContact CG-CB 4.13Å; P411-R414 PolarHBondContact O-N 3.46Å; R414-E418 PolarHBondContact O-N 3.37Å; R414-E418 VanDerWaalsContact O-N 3.09Å; R414-F476 HydrophobicContact CG-CE1 4.33Å; R414-F476 HydrophobicContact CG-CE2 4Å; R414-F476 HydrophobicContact CG-CZ 3.76Å
415S98Very high93.6Very high1 Ų144.6 Ų44.61%0.00721%0.207CC..Hα-helixtrans-64.6-39.6-179.6-56.50000112.1C410 P411 F412 G413 L419C410-S415 PolarHBondContact SG-OG 3.38Å; P411-S415 WeakPolarHBondContact O-CB 3.42Å; P411-S415 PolarHBondContact O-N 2.89Å; P411-S415 PolarHBondContact O-OG 3.19Å; F412-S415 PolarHBondContact O-N 2.67Å; G413-S415 VanDerWaalsContact C-N 3.33Å; G413-S415 PolarHBondContact O-N 2.87Å; S415-L419 WeakPolarHBondContact O-CB 3.28Å; S415-L419 PolarHBondContact O-N 3.43Å
416S98.3Very high95Very high0 Ų036.4 Ų36.40%017%0.169CC..Hα-helixtrans-67.5-39.9-179.6-61.80000112.4M383 F412 G413 T420M383-S416 VanDerWaalsContact CG-CB 3.5Å; F412-S416 WeakPolarHBondContact CE2-OG 2.8Å; F412-S416 WeakPolarHBondContact CZ-OG 3.36Å; F412-S416 VanDerWaalsContact O-CB 3.3Å; F412-S416 WeakPolarHBondContact O-CB 3.38Å; F412-S416 PolarHBondContact O-N 3.26Å; F412-S416 PolarHBondContact O-OG 2.87Å; G413-S416 PolarHBondContact O-N 2.93Å; S416-T420 WeakPolarHBondContact O-CB 2.73Å; S416-T420 PolarHBondContact O-N 3.41Å; S416-T420 PolarHBondContact O-OG1 3.07Å
417I98.5Very high96Very high17 Ų1733.7 Ų33.79%0.08715%0.154CC..Hα-helixtrans-65.2-53175.8-65.4170.7000110D369 F370 P375 A379 G413 L419 T420 K421D369-I417 HydrophobicContact CB-CD1 3.65Å; F370-I417 HydrophobicContact CD1-CD1 4.16Å; F370-I417 HydrophobicContact CD1-CG1 4.26Å; F370-I417 HydrophobicContact CE1-CD1 3.97Å; F370-I417 HydrophobicContact CE1-CG1 3.9Å; F370-I417 HydrophobicContact CZ-CD1 4.31Å; P375-I417 HydrophobicContact CG-CG2 3.94Å; P375-I417 WeakPolarHBondContact CG-O 3.48Å; A379-I417 HydrophobicContact CB-CB 4.4Å; A379-I417 HydrophobicContact CB-CG1 3.96Å; G413-I417 WeakPolarHBondContact O-CG1 3.42Å; G413-I417 PolarHBondContact O-N 3.44Å; I417-L419 VanDerWaalsContact C-N 3.32Å; I417-L419 PolarHBondContact O-N 3.34Å; I417-T420 PolarHBondContact O-N 3.37Å; I417-K421 PolarHBondContact O-N 3.11Å; I417-K421 VanDerWaalsContact O-N 3.11Å
418E98.4Very high96.4Very high65 Ų6530.4 Ų30.430%0.30414%0.14SC..Hα-helixtrans-64.4-38.4-179.1-170.863.2-158.900112R414 K421 M422 F476 M480R414-E418 PolarHBondContact O-N 3.37Å; R414-E418 VanDerWaalsContact O-N 3.09Å; E418-K421 PolarHBondContact O-N 3.4Å; E418-M422 WeakPolarHBondContact O-CB 3.36Å; E418-M422 PolarHBondContact O-N 3.03Å; E418-F476 HydrophobicContact CB-CE1 4.13Å; E418-F476 HydrophobicContact CB-CZ 4.01Å; E418-F476 HydrophobicContact CG-CE1 4.05Å; E418-F476 HydrophobicContact CG-CZ 4.38Å; E418-M480 HydrophobicContact CB-CE 3.9Å; E418-M480 HydrophobicContact CG-CE 3.56Å; E418-M480 HydrophobicContact CG-CG 4.1Å; E418-M480 HydrophobicContact CG-SD 4.4Å
419L98.8Very high96.6Very high0 Ų028 Ų280%013%0.13CC..Hα-helixtrans-63-47.3176.5178.161.8000110.6S415 I417 K421 M422 L423 F455 C458 I459 L462 M480 V483 I487S415-L419 WeakPolarHBondContact O-CB 3.28Å; S415-L419 PolarHBondContact O-N 3.43Å; I417-L419 VanDerWaalsContact C-N 3.32Å; I417-L419 PolarHBondContact O-N 3.34Å; L419-K421 VanDerWaalsContact C-N 3.29Å; L419-K421 PolarHBondContact O-N 3.34Å; L419-M422 WeakPolarHBondContact O-CB 3.48Å; L419-M422 PolarHBondContact O-N 3.13Å; L419-M422 VanDerWaalsContact O-N 3.1Å; L419-L423 HydrophobicContact CD1-CD1 4.41Å; L419-L423 HydrophobicContact CD1-CD2 3.97Å; L419-L423 HydrophobicContact CD1-CG 4.03Å; L419-L423 HydrophobicContact CG-CD1 4.21Å; L419-L423 HydrophobicContact CG-CG 4.2Å; L419-L423 VanDerWaalsContact O-CG 3.3Å; L419-L423 WeakPolarHBondContact O-CG 3.33Å; L419-L423 PolarHBondContact O-N 2.79Å; L419-F455 HydrophobicContact CB-CE2 4.49Å; L419-F455 HydrophobicContact CD2-CD2 3.99Å; L419-F455 HydrophobicContact CD2-CE2 3.94Å; L419-F455 HydrophobicContact CG-CD2 4.29Å; L419-F455 HydrophobicContact CG-CE2 4.34Å; L419-C458 HydrophobicContact CD1-CB 4Å; L419-C458 HydrophobicContact CD2-CB 3.87Å; L419-C458 HydrophobicContact CG-CB 4.39Å; L419-I459 HydrophobicContact CD2-CB 3.77Å; L419-I459 HydrophobicContact CD2-CD1 3.9Å; L419-I459 HydrophobicContact CD2-CG1 4.43Å; L419-L462 HydrophobicContact CB-CD1 4.19Å; L419-L462 HydrophobicContact CD2-CD1 4.39Å; L419-M480 HydrophobicContact CB-CE 4.24Å; L419-V483 HydrophobicContact CD1-CG1 4.48Å; L419-I487 HydrophobicContact CD1-CD1 4.36Å
420T98.8Very high96.5Very high0 Ų025.7 Ų25.70%013%0.126CC..Hα-helixtrans-58-44.7180-61.10000111P375 L378 A379 N382 S416 I417 L423 C424P375-T420 HydrophobicContact CB-CG2 3.55Å; P375-T420 HydrophobicContact CG-CG2 4.06Å; L378-T420 HydrophobicContact CB-CG2 4.39Å; L378-T420 HydrophobicContact CD2-CG2 4.04Å; L378-T420 HydrophobicContact CG-CG2 3.9Å; A379-T420 HydrophobicContact CB-CG2 4.24Å; N382-T420 WeakPolarHBondContact ND2-CG2 3.47Å; N382-T420 PolarHBondContact ND2-OG1 3.16Å; N382-T420 VanDerWaalsContact ND2-OG1 3.11Å; S416-T420 WeakPolarHBondContact O-CB 2.73Å; S416-T420 PolarHBondContact O-N 3.41Å; S416-T420 PolarHBondContact O-OG1 3.07Å; I417-T420 PolarHBondContact O-N 3.37Å; T420-L423 PolarHBondContact O-N 3.1Å; T420-C424 PolarHBondContact O-N 2.9Å; T420-C424 PolarHBondContact O-SG 2.92Å
421K98.5Very high96.1Very high62 Ų6229.9 Ų29.927%0.2715%0.145SC..Hα-helixtrans-57.4-49.9173.8176-179.8172.3-163.30111.7P374 P375 I417 E418 L419 L423 C424 E425P374-K421 HydrophobicContact CB-CG 4.36Å; P374-K421 HydrophobicContact CG-CD 4.21Å; P374-K421 HydrophobicContact CG-CG 3.98Å; P375-K421 HydrophobicContact CB-CB 4.47Å; P375-K421 HydrophobicContact CG-CB 4.42Å; I417-K421 PolarHBondContact O-N 3.11Å; I417-K421 VanDerWaalsContact O-N 3.11Å; E418-K421 PolarHBondContact O-N 3.4Å; L419-K421 VanDerWaalsContact C-N 3.29Å; L419-K421 PolarHBondContact O-N 3.34Å; K421-L423 VanDerWaalsContact C-N 3.33Å; K421-L423 PolarHBondContact O-N 3.02Å; K421-C424 WeakPolarHBondContact O-CB 3.22Å; K421-C424 PolarHBondContact O-N 3.46Å; K421-E425 WeakPolarHBondContact CE-OE1 3.39Å; K421-E425 WeakPolarHBondContact O-CG 3.23Å; K421-E425 PolarHBondContact O-N 2.93Å
422M98.6Very high95.4Very high8 Ų835.4 Ų35.44%0.03917%0.173CC..Hα-helixtrans-58.5-42.1178179.7-168.4-6700112.6E418 L419 C424 E425 I426 M480 R484E418-M422 WeakPolarHBondContact O-CB 3.36Å; E418-M422 PolarHBondContact O-N 3.03Å; L419-M422 WeakPolarHBondContact O-CB 3.48Å; L419-M422 PolarHBondContact O-N 3.13Å; L419-M422 VanDerWaalsContact O-N 3.1Å; M422-C424 VanDerWaalsContact C-N 3.34Å; M422-E425 PolarHBondContact O-N 2.84Å; M422-I426 HydrophobicContact CG-CD1 3.94Å; M422-I426 HydrophobicContact CG-CG1 4.47Å; M422-I426 VanDerWaalsContact O-CG1 3.31Å; M422-I426 WeakPolarHBondContact O-CG1 3.42Å; M422-I426 PolarHBondContact O-N 3.43Å; M422-I426 HydrophobicContact SD-CD1 4.47Å; M422-M480 HydrophobicContact CE-CB 3.76Å; M422-M480 HydrophobicContact CE-CE 3.36Å; M422-M480 WeakPolarHBondContact CE-O 3.26Å; M422-M480 HydrophobicContact CE-SD 4.44Å; M422-M480 HydrophobicContact SD-CE 4.34Å; M422-R484 HydrophobicContact CE-CB 3.91Å; M422-R484 HydrophobicContact CE-CG 4.46Å; M422-R484 HydrophobicContact CG-CB 4.43Å; M422-R484 HydrophobicContact CG-CG 4.07Å; M422-R484 HydrophobicContact SD-CB 3.61Å; M422-R484 HydrophobicContact SD-CG 3.89Å
423L98.6Very high94.5Very high0 Ų036.2 Ų36.20%018%0.179CC..Hα-helixtrans-65.3-39.1177.9-61.8-174.3000111.3L419 T420 K421 E425 I426 L427 F451 F454 F455 C458 I487L419-L423 HydrophobicContact CD1-CD1 4.41Å; L419-L423 HydrophobicContact CD1-CD2 3.97Å; L419-L423 HydrophobicContact CD1-CG 4.03Å; L419-L423 HydrophobicContact CG-CD1 4.21Å; L419-L423 HydrophobicContact CG-CG 4.2Å; L419-L423 VanDerWaalsContact O-CG 3.3Å; L419-L423 WeakPolarHBondContact O-CG 3.33Å; L419-L423 PolarHBondContact O-N 2.79Å; T420-L423 PolarHBondContact O-N 3.1Å; K421-L423 VanDerWaalsContact C-N 3.33Å; K421-L423 PolarHBondContact O-N 3.02Å; L423-E425 VanDerWaalsContact C-N 3.34Å; L423-E425 PolarHBondContact O-N 2.98Å; L423-I426 PolarHBondContact O-N 3.1Å; L423-L427 WeakPolarHBondContact O-CB 3.25Å; L423-L427 WeakPolarHBondContact O-CG 3.28Å; L423-L427 PolarHBondContact O-N 2.96Å; L423-F451 HydrophobicContact CB-CE2 4.19Å; L423-F451 HydrophobicContact CB-CZ 4.42Å; L423-F454 HydrophobicContact CB-CE1 4.33Å; L423-F454 HydrophobicContact CD1-CD1 3.95Å; L423-F454 HydrophobicContact CD1-CE1 4.09Å; L423-F454 HydrophobicContact CD2-CD1 4.29Å; L423-F454 HydrophobicContact CD2-CE1 3.6Å; L423-F454 HydrophobicContact CD2-CZ 4.13Å; L423-F454 HydrophobicContact CG-CE1 4.18Å; L423-F455 HydrophobicContact CD1-CB 4.02Å; L423-F455 HydrophobicContact CD1-CD2 4.24Å; L423-C458 HydrophobicContact CD1-CB 4.31Å; L423-C458 HydrophobicContact CD2-CB 4.3Å; L423-I487 HydrophobicContact CD2-CD1 3.87Å
424C98.2Very high93.5Very high5 Ų536.7 Ų36.73%0.03418%0.182CC..Hα-helixtrans-62.6-40.7174.7-63.40000111.8M309 T420 K421 M422 L427 K428 V429M309-C424 HydrophobicContact SD-CB 3.55Å; M309-C424 VanDerWaalsContact SD-CB 3.55Å; M309-C424 VanDerWaalsContact SD-SG 3.68Å; T420-C424 PolarHBondContact O-N 2.9Å; T420-C424 PolarHBondContact O-SG 2.92Å; K421-C424 WeakPolarHBondContact O-CB 3.22Å; K421-C424 PolarHBondContact O-N 3.46Å; M422-C424 VanDerWaalsContact C-N 3.34Å; C424-L427 CarbonylContact O-C 3.6Å; C424-K428 WeakPolarHBondContact O-CA 3.33Å; C424-K428 PolarHBondContact O-N 3.44Å; C424-V429 HydrophobicContact CB-CB 4.07Å; C424-V429 HydrophobicContact CB-CG2 4.05Å; C424-V429 PolarHBondContact O-N 3.41Å
425E96.8Very high92.1Very high87 Ų8738 Ų3841%0.40719%0.192SC..Hα-helixtrans-66.8-42.1175.8-68.3169.6-176.200112.6K421 M422 L423 L427 K428 R484K421-E425 WeakPolarHBondContact CE-OE1 3.39Å; K421-E425 WeakPolarHBondContact O-CG 3.23Å; K421-E425 PolarHBondContact O-N 2.93Å; M422-E425 PolarHBondContact O-N 2.84Å; L423-E425 VanDerWaalsContact C-N 3.34Å; L423-E425 PolarHBondContact O-N 2.98Å; E425-L427 VanDerWaalsContact C-N 3.32Å; E425-K428 PolarHBondContact O-N 3.5Å; E425-R484 IonicContact OE2-CZ 3.08Å; E425-R484 IonicContact OE2-NH1 3.42Å; E425-R484 PolarHBondContact OE2-NH1 2.94Å; E425-R484 IonicContact OE2-NH2 3.64Å
426I96.6Very high90.4Very high32 Ų3239.4 Ų39.416%0.16420%0.199CC..Hα-helixtrans-63.5-41.3177.6-71.2170.1000110.6M422 L423 K428 R484 I487 M488 L491M422-I426 HydrophobicContact CG-CD1 3.94Å; M422-I426 HydrophobicContact CG-CG1 4.47Å; M422-I426 VanDerWaalsContact O-CG1 3.31Å; M422-I426 WeakPolarHBondContact O-CG1 3.42Å; M422-I426 PolarHBondContact O-N 3.43Å; M422-I426 HydrophobicContact SD-CD1 4.47Å; L423-I426 PolarHBondContact O-N 3.1Å; I426-K428 VanDerWaalsContact C-N 3.35Å; I426-R484 HydrophobicContact CD1-CG 4.06Å; I426-R484 HydrophobicContact CG1-CG 4.49Å; I426-I487 HydrophobicContact CD1-CB 4.3Å; I426-I487 HydrophobicContact CD1-CG2 3.81Å; I426-M488 HydrophobicContact CD1-CG 4.36Å; I426-M488 HydrophobicContact CG1-CG 4.44Å; I426-L491 HydrophobicContact CG2-CD1 3.53Å
427L95.9Very high89.2Confident15 Ų1541 Ų418%0.07921%0.21CC..THydrogen-bonded Turntrans-89.71-178-61.2177.2000113.6F302 L423 C424 E425 V429 F444 F451 F454F302-L427 HydrophobicContact CD2-CB 4.2Å; F302-L427 HydrophobicContact CE1-CD1 4.31Å; F302-L427 HydrophobicContact CE2-CB 4.14Å; F302-L427 HydrophobicContact CE2-CD1 4.39Å; F302-L427 HydrophobicContact CE2-CD2 4.08Å; F302-L427 HydrophobicContact CE2-CG 4.43Å; F302-L427 HydrophobicContact CZ-CD1 4.11Å; F302-L427 HydrophobicContact CZ-CD2 4.21Å; L423-L427 WeakPolarHBondContact O-CB 3.25Å; L423-L427 WeakPolarHBondContact O-CG 3.28Å; L423-L427 PolarHBondContact O-N 2.96Å; C424-L427 CarbonylContact O-C 3.6Å; E425-L427 VanDerWaalsContact C-N 3.32Å; L427-V429 VanDerWaalsContact C-N 3.31Å; L427-V429 HydrophobicContact CB-CG2 4.32Å; L427-V429 PolarHBondContact O-N 2.93Å; L427-F444 HydrophobicContact CD1-CE1 4.28Å; L427-F444 HydrophobicContact CD1-CZ 3.9Å; L427-F444 HydrophobicContact CD2-CE2 3.86Å; L427-F444 HydrophobicContact CD2-CZ 3.74Å; L427-F444 HydrophobicContact CG-CZ 4.5Å; L427-F451 HydrophobicContact CD1-CD2 3.8Å; L427-F451 HydrophobicContact CD1-CE2 3.97Å; L427-F454 HydrophobicContact CD1-CD1 4.22Å; L427-F454 HydrophobicContact CD1-CE1 3.99Å; L427-F454 HydrophobicContact CG-CE1 4.47Å
428K93.6Very high88.4Confident98 Ų9843.7 Ų43.743%0.42622%0.222SC..THydrogen-bonded Turntrans53.643.1179.1-63.2174.5157.8-150.90113.5C424 E425 I426 G430 E431 E635C424-K428 WeakPolarHBondContact O-CA 3.33Å; C424-K428 PolarHBondContact O-N 3.44Å; E425-K428 PolarHBondContact O-N 3.5Å; I426-K428 VanDerWaalsContact C-N 3.35Å; K428-G430 PolarHBondContact O-N 2.67Å; K428-E431 HydrophobicContact CB-CB 4.3Å; K428-E431 HydrophobicContact CB-CG 4.12Å; K428-E431 VanDerWaalsContact CD-OE2 3.32Å; K428-E431 WeakPolarHBondContact CD-OE2 3.24Å; K428-E431 IonicContact NZ-OE2 3.11Å; K428-E431 WeakPolarHBondContact O-CB 3.31Å; K428-E431 PolarHBondContact O-N 2.88Å; K428-E431 VanDerWaalsContact O-N 3.15Å; K428-E635 IonicContact NZ-OE1 2.82Å; K428-E635 PolarHBondContact NZ-OE1 2.83Å
429V94.1Very high87.8Confident14 Ų1444.1 Ų44.19%0.08523%0.226CC..THydrogen-bonded Turntrans-60.8126.7179.1176.10000110.1F302 L305 E306 M309 C424 L427F302-V429 HydrophobicContact CB-CG2 4.27Å; L305-V429 HydrophobicContact CB-CG1 4.1Å; E306-V429 HydrophobicContact CB-CG1 4.34Å; M309-V429 HydrophobicContact CE-CG1 4.14Å; M309-V429 HydrophobicContact SD-CB 4.26Å; M309-V429 HydrophobicContact SD-CG1 4.05Å; C424-V429 HydrophobicContact CB-CB 4.07Å; C424-V429 HydrophobicContact CB-CG2 4.05Å; C424-V429 PolarHBondContact O-N 3.41Å; L427-V429 VanDerWaalsContact C-N 3.31Å; L427-V429 HydrophobicContact CB-CG2 4.32Å; L427-V429 PolarHBondContact O-N 2.93Å
430G86.8Confident87.6Confident25 Ų2545.1 Ų45.126%0.25823%0.23SC..THydrogen-bonded Turntrans95.6-5.7-178.200000114.3N303 E306 K428N303-G430 WeakPolarHBondContact OD1-CA 3.36Å; N303-G430 PolarHBondContact OD1-N 3.2Å; E306-G430 VanDerWaalsContact CD-CA 3.47Å; K428-G430 PolarHBondContact O-N 2.67Å
431E85.9Confident87.5Confident95 Ų9546.5 Ų46.544%0.44424%0.237SC..PPolyproline II helixtrans-82.8142.2174.5-64-173.6-173.700111.3V299 N303 K428V299-E431 VanDerWaalsContact CG1-O 3.22Å; V299-E431 WeakPolarHBondContact CG1-O 3.39Å; N303-E431 PolarHBondContact ND2-O 3.32Å; K428-E431 HydrophobicContact CB-CB 4.3Å; K428-E431 HydrophobicContact CB-CG 4.12Å; K428-E431 VanDerWaalsContact CD-OE2 3.32Å; K428-E431 WeakPolarHBondContact CD-OE2 3.24Å; K428-E431 IonicContact NZ-OE2 3.11Å; K428-E431 WeakPolarHBondContact O-CB 3.31Å; K428-E431 PolarHBondContact O-N 2.88Å; K428-E431 VanDerWaalsContact O-N 3.15Å
432L80.4Confident87.4Confident132 Ų13244.2 Ų44.269%0.69123%0.228SC*.PPolyproline II helixtrans-71.4148.3173.2-69.7175.6000110.6
433P77Confident87.3Confident23 Ų2343.8 Ų43.815%0.14923%0.226CC..PPolyproline II helixtrans-64.3137.6178.426.6-33.9000111.5Y295 V296 V299Y295-P433 HydrophobicContact CE1-CB 4.11Å; V296-P433 HydrophobicContact CB-CB 4.35Å; V296-P433 HydrophobicContact CG1-CB 4.16Å; V296-P433 HydrophobicContact CG1-CG 4.13Å; V296-P433 HydrophobicContact CG2-CB 4.05Å; V299-P433 HydrophobicContact CB-CB 4.32Å; V299-P433 HydrophobicContact CG1-CB 4.2Å
434S76.1Confident87.2Confident11 Ų1144.2 Ų44.28%0.07723%0.228CC..PPolyproline II helixtrans-81.8138175.5-171.80000111.9H292 Y295 N436 C437 E635H292-S434 PolarHBondContact CE1-O 3.01Å; Y295-S434 WeakPolarHBondContact CE1-O 2.98Å; Y295-S434 PolarHBondContact OH-N 2.92Å; Y295-S434 VanDerWaalsContact OH-N 3.16Å; S434-N436 PolarHBondContact O-N 3.16Å; S434-C437 PolarHBondContact O-N 3.48Å; S434-E635 WeakPolarHBondContact CB-OE2 3.43Å; S434-E635 PolarHBondContact OG-OE2 2.95Å
435E67.3Low87.1Confident109 Ų10944.3 Ų44.351%0.50923%0.228SC..THydrogen-bonded Turntrans-66.7-17.7-174.9-67.4176.7-17300115H292 R562 N633H292-E435 PolarHBondContact CE1-O 3.42Å; E435-R562 PolarHBondContact O-NH1 3.49Å; E435-R562 VanDerWaalsContact O-NH1 3.08Å; E435-N633 PolarHBondContact OE1-ND2 2.83Å
436N62.3Low87.1Confident29 Ų2941.9 Ų41.916%0.15522%0.219CC..THydrogen-bonded Turntrans-121.56.2-174.1-61.3-25.8000113S434 H438 R562S434-N436 PolarHBondContact O-N 3.16Å; N436-H438 PolarHBondContact O-CD2 2.64Å; N436-H438 PolarHBondContact O-NE2 2.93Å; N436-R562 PolarHBondContact OD1-NH1 3.42Å
437C72.5Confident86.9Confident33 Ų3343.5 Ų43.522%0.22323%0.226CC..  trans-87.7131178.9-174.70000110.2H292 Y295 S434H292-C437 PolarHBondContact ND1-O 2.88Å; Y295-C437 HydrophobicContact CD1-CB 3.85Å; Y295-C437 WeakPolarHBondContact CD1-O 3.48Å; Y295-C437 HydrophobicContact CD2-CB 4.35Å; Y295-C437 HydrophobicContact CE1-CB 3.5Å; Y295-C437 VanDerWaalsContact CE1-CB 3.5Å; Y295-C437 HydrophobicContact CE2-CB 4Å; Y295-C437 VanDerWaalsContact CE2-SG 3.5Å; Y295-C437 HydrophobicContact CG-CB 4.26Å; S434-C437 PolarHBondContact O-N 3.48Å
438H81.1Confident86.6Confident75 Ų7547.4 Ų47.435%0.34725%0.247SC..  trans-114.93.5178.3-52.8-80.9000111.9D288 A291 N436D288-H438 PolarHBondContact O-ND1 3.48Å; A291-H438 HydrophobicContact CB-CB 4.1Å; N436-H438 PolarHBondContact O-CD2 2.64Å; N436-H438 PolarHBondContact O-NE2 2.93Å
439D85.2Confident86.6Confident73 Ų7348.9 Ų48.939%0.3925%0.25SC..  trans-89.5110.7-172.5-165.99.7000112.4Y295 K494Y295-D439 WeakPolarHBondContact CD2-O 3.31Å; D439-K494 VanDerWaalsContact CG-NZ 3.35Å; D439-K494 WeakPolarHBondContact OD1-CE 3.16Å; D439-K494 IonicContact OD1-NZ 3.72Å; D439-K494 PolarHBondContact OD1-NZ 2.82Å; D439-K494 IonicContact OD2-NZ 3.14Å
440F95Very high86.6Confident21 Ų2148.9 Ų48.99%0.09225%0.251CS..  trans-126.4163.9174.178.3-80.9000111.5I280 I286 A291 L294 P442 F445I280-F440 HydrophobicContact CD1-CE2 4.12Å; I280-F440 HydrophobicContact CG1-CE2 4.31Å; I286-F440 HydrophobicContact CD1-CE1 4.4Å; I286-F440 HydrophobicContact CD1-CZ 3.94Å; A291-F440 HydrophobicContact CB-CE1 4.49Å; L294-F440 HydrophobicContact CB-CD1 4.05Å; L294-F440 HydrophobicContact CB-CD2 4.24Å; L294-F440 HydrophobicContact CB-CE1 4.26Å; L294-F440 HydrophobicContact CB-CE2 4.43Å; L294-F440 HydrophobicContact CB-CG 4.05Å; L294-F440 HydrophobicContact CB-CZ 4.44Å; L294-F440 HydrophobicContact CD1-CD1 4.49Å; L294-F440 HydrophobicContact CD1-CE1 3.86Å; L294-F440 HydrophobicContact CD1-CE2 4.01Å; L294-F440 HydrophobicContact CD1-CZ 3.59Å; F440-P442 HydrophobicContact CD2-CG 4.35Å; F440-P442 HydrophobicContact CE2-CB 4.23Å; F440-P442 HydrophobicContact CE2-CG 3.77Å; F440-P442 HydrophobicContact CZ-CG 4.27Å; F440-P442 WeakPolarHBondContact O-CD 3.39Å; F440-F445 HydrophobicContact CD2-CD2 4.32Å; F440-F445 AromaticContact CD2-CE2 3.83Å; F440-F445 HydrophobicContact CD2-CE2 3.83Å; F440-F445 HydrophobicContact CE2-CE2 4.42Å
441H96.3Very high87.2Confident30 Ų3048 Ų4814%0.13924%0.24CC..  trans-112.8101.3-176.4-69.8-49.8000110.2Q298 M443 F444Q298-H441 PolarHBondContact OE1-O 2.89Å; H441-M443 PolarHBondContact O-N 3.31Å; H441-F444 HydrophobicContact CB-CD2 3.49Å; H441-F444 VanDerWaalsContact CB-CD2 3.49Å; H441-F444 HydrophobicContact CB-CE2 3.69Å; H441-F444 AromaticContact CD2-CE2 3.94Å; H441-F444 PolarHBondContact O-N 3.47Å; H441-F444 VanDerWaalsContact O-N 3.09Å
442P96.2Very high87.8Confident13 Ų1343.9 Ų43.98%0.08422%0.22CC..G310 helixtrans-57.3-29.2-173.3-25.132.7000114.3I280 F440 F444 F445I280-P442 HydrophobicContact CG2-CB 4.04Å; F440-P442 HydrophobicContact CD2-CG 4.35Å; F440-P442 HydrophobicContact CE2-CB 4.23Å; F440-P442 HydrophobicContact CE2-CG 3.77Å; F440-P442 HydrophobicContact CZ-CG 4.27Å; F440-P442 WeakPolarHBondContact O-CD 3.39Å; P442-F444 PolarHBondContact O-N 3.36Å; P442-F445 WeakPolarHBondContact O-CA 3.35Å; P442-F445 WeakPolarHBondContact O-CB 3.14Å; P442-F445 PolarHBondContact O-N 3.5Å
443M97.1Very high88.6Confident0 Ų039 Ų390%019%0.194CC..G310 helixtrans-58-29.5177.967.6175.9-166.700114.3H441 F445 T446 F454 L491 P495 L498 F501H441-M443 PolarHBondContact O-N 3.31Å; M443-F445 PolarHBondContact O-N 2.86Å; M443-T446 PolarHBondContact O-N 3.08Å; M443-T446 PolarHBondContact O-OG1 2.86Å; M443-F454 HydrophobicContact CE-CD2 3.83Å; M443-F454 HydrophobicContact CE-CE2 3.72Å; M443-L491 HydrophobicContact CE-CD2 3.3Å; M443-L491 HydrophobicContact SD-CD2 4.48Å; M443-P495 WeakPolarHBondContact CB-O 3.5Å; M443-P495 PolarHBondContact N-O 3.29Å; M443-P495 HydrophobicContact SD-CG 3.72Å; M443-L498 HydrophobicContact CG-CD2 4.49Å; M443-L498 HydrophobicContact SD-CD2 4.22Å; M443-F501 HydrophobicContact CE-CD2 4.4Å; M443-F501 HydrophobicContact CE-CG 4.44Å; M443-F501 HydrophobicContact SD-CB 3.73Å; M443-F501 HydrophobicContact SD-CD2 4.14Å; M443-F501 HydrophobicContact SD-CG 3.88Å
444F97.2Very high89.6Confident8 Ų837.9 Ų37.94%0.03519%0.187CC..G310 helixtrans-72.4-15.7177.6-64.8-72.6000112.4R272 F302 L427 H441 P442 T446 S450 F454R272-F444 PolarHBondContact NH1-O 3.23Å; F302-F444 HydrophobicContact CE1-CB 4.46Å; F302-F444 AromaticContact CE1-CD1 3.96Å; F302-F444 HydrophobicContact CE1-CD1 3.96Å; F302-F444 HydrophobicContact CE1-CD2 4.35Å; F302-F444 HydrophobicContact CE1-CE1 4.27Å; F302-F444 HydrophobicContact CE1-CG 4.02Å; F302-F444 HydrophobicContact CZ-CB 4.31Å; F302-F444 AromaticContact CZ-CD1 3.97Å; F302-F444 HydrophobicContact CZ-CD1 3.97Å; F302-F444 AromaticContact CZ-CD2 3.58Å; F302-F444 HydrophobicContact CZ-CD2 3.58Å; F302-F444 HydrophobicContact CZ-CE1 4.15Å; F302-F444 AromaticContact CZ-CE2 3.75Å; F302-F444 HydrophobicContact CZ-CE2 3.75Å; F302-F444 AromaticContact CZ-CG 3.69Å; F302-F444 HydrophobicContact CZ-CG 3.69Å; F302-F444 HydrophobicContact CZ-CZ 4.03Å; L427-F444 HydrophobicContact CD1-CE1 4.28Å; L427-F444 HydrophobicContact CD1-CZ 3.9Å; L427-F444 HydrophobicContact CD2-CE2 3.86Å; L427-F444 HydrophobicContact CD2-CZ 3.74Å; L427-F444 HydrophobicContact CG-CZ 4.5Å; H441-F444 HydrophobicContact CB-CD2 3.49Å; H441-F444 VanDerWaalsContact CB-CD2 3.49Å; H441-F444 HydrophobicContact CB-CE2 3.69Å; H441-F444 AromaticContact CD2-CE2 3.94Å; H441-F444 PolarHBondContact O-N 3.47Å; H441-F444 VanDerWaalsContact O-N 3.09Å; P442-F444 PolarHBondContact O-N 3.36Å; F444-T446 VanDerWaalsContact C-N 3.33Å; F444-S450 WeakPolarHBondContact O-CB 3.19Å; F444-S450 PolarHBondContact O-OG 3.47Å; F444-F454 HydrophobicContact CE1-CB 3.96Å; F444-F454 HydrophobicContact CE1-CD1 4.11Å; F444-F454 HydrophobicContact CE1-CD2 4.37Å; F444-F454 AromaticContact CE1-CG 3.93Å; F444-F454 HydrophobicContact CE1-CG 3.93Å; F444-F454 HydrophobicContact CZ-CD1 4.18Å; F444-F454 HydrophobicContact CZ-CD2 4.31Å; F444-F454 HydrophobicContact CZ-CE1 4.31Å; F444-F454 HydrophobicContact CZ-CE2 4.44Å; F444-F454 HydrophobicContact CZ-CG 4.17Å; F444-F454 HydrophobicContact CZ-CZ 4.46Å
445F96.4Very high90.7Very high7 Ų737.4 Ų37.43%0.03118%0.183CC..G310 helixtrans-87.27.1169.7-60.5-96.8000113.2R272 I275 L276 I280 L294 L297 Q298 F440 P442 M443R272-F445 HydrophobicContact CG-CB 4.5Å; R272-F445 HydrophobicContact CG-CD1 4.19Å; R272-F445 PolarHBondContact NH1-O 3.4Å; I275-F445 HydrophobicContact CG2-CD1 4.05Å; I275-F445 HydrophobicContact CG2-CE1 4.16Å; L276-F445 HydrophobicContact CD1-CB 4.27Å; L276-F445 WeakPolarHBondContact CD2-O 3.36Å; I280-F445 HydrophobicContact CD1-CB 3.5Å; I280-F445 HydrophobicContact CD1-CD1 3.9Å; I280-F445 HydrophobicContact CD1-CD2 3.73Å; I280-F445 HydrophobicContact CD1-CE2 4.41Å; I280-F445 HydrophobicContact CD1-CG 3.43Å; I280-F445 VanDerWaalsContact CD1-CG 3.43Å; L294-F445 HydrophobicContact CD2-CE1 4.4Å; L294-F445 HydrophobicContact CD2-CZ 4.41Å; L297-F445 HydrophobicContact CD2-CE1 4.15Å; Q298-F445 HydrophobicContact CB-CE2 4.32Å; Q298-F445 HydrophobicContact CB-CZ 4.28Å; F440-F445 HydrophobicContact CD2-CD2 4.32Å; F440-F445 AromaticContact CD2-CE2 3.83Å; F440-F445 HydrophobicContact CD2-CE2 3.83Å; F440-F445 HydrophobicContact CE2-CE2 4.42Å; P442-F445 WeakPolarHBondContact O-CA 3.35Å; P442-F445 WeakPolarHBondContact O-CB 3.14Å; P442-F445 PolarHBondContact O-N 3.5Å; M443-F445 PolarHBondContact O-N 2.86Å
446T95.9Very high92.2Very high36 Ų3632.2 Ų32.222%0.22116%0.159CC..THydrogen-bonded Turntrans-96.6-28.5171.870.70000117.3R272 L276 M443 F444 N496R272-T446 PolarHBondContact NH2-O 3.13Å; L276-T446 HydrophobicContact CD1-CG2 4.2Å; L276-T446 HydrophobicContact CD2-CG2 4.28Å; M443-T446 PolarHBondContact O-N 3.08Å; M443-T446 PolarHBondContact O-OG1 2.86Å; F444-T446 VanDerWaalsContact C-N 3.33Å; T446-N496 VanDerWaalsContact CG2-O 3.3Å; T446-N496 WeakPolarHBondContact CG2-O 3.42Å
447H93.7Very high93.9Very high66 Ų6631.6 Ų31.631%0.30616%0.156SC..  trans-124.8143.5171.7-165.1-101.8000116.9R272 Y385 R449 S450 E453 L498R272-H447 VanDerWaalsContact CZ-N 3.26Å; R272-H447 PolarHBondContact NE-O 3.23Å; R272-H447 VanDerWaalsContact NH1-CA 3.32Å; R272-H447 PolarHBondContact NH1-O 2.75Å; R272-H447 VanDerWaalsContact NH2-N 3.19Å; Y385-H447 PolarHBondContact OH-CE1 2.76Å; H447-R449 VanDerWaalsContact C-N 3.29Å; H447-R449 VanDerWaalsContact ND1-C 3.29Å; H447-R449 PolarHBondContact ND1-N 3.16Å; H447-R449 VanDerWaalsContact ND1-N 3.12Å; H447-R449 PolarHBondContact ND1-O 3.2Å; H447-R449 VanDerWaalsContact ND1-O 3.17Å; H447-R449 PolarHBondContact O-N 2.68Å; H447-S450 WeakPolarHBondContact O-CB 3.44Å; H447-S450 PolarHBondContact O-N 2.88Å; H447-S450 PolarHBondContact O-OG 3.15Å; H447-E453 HydrophobicContact CB-CG 4.42Å; H447-E453 WeakPolarHBondContact ND1-CG 3.41Å; H447-L498 HydrophobicContact CB-CD1 3.79Å
448D89.1Confident95.2Very high98 Ų9830 Ų3052%0.52415%0.145SC..THydrogen-bonded Turntrans-67.7-31.6-175.3-69.1-15000112.6R272R272-D448 VanDerWaalsContact CZ-N 3.3Å; R272-D448 IonicContact CZ-OD1 3.81Å; R272-D448 VanDerWaalsContact CZ-OD1 3.3Å; R272-D448 IonicContact NE-OD1 3.84Å; R272-D448 PolarHBondContact NE-OD1 2.93Å; R272-D448 IonicContact NH2-OD1 3.45Å; R272-D448 PolarHBondContact NH2-OD1 3.04Å
449R93.2Very high96Very high128 Ų12826.6 Ų26.648%0.48313%0.129SC..THydrogen-bonded Turntrans-107.353.6170.4-59.6-58-69.3-147.2-7.2109.2Y385 H447 F451 E452 E453Y385-R449 HydrophobicContact CE2-CB 3.88Å; Y385-R449 HydrophobicContact CE2-CG 4.01Å; H447-R449 VanDerWaalsContact C-N 3.29Å; H447-R449 VanDerWaalsContact ND1-C 3.29Å; H447-R449 PolarHBondContact ND1-N 3.16Å; H447-R449 VanDerWaalsContact ND1-N 3.12Å; H447-R449 PolarHBondContact ND1-O 3.2Å; H447-R449 VanDerWaalsContact ND1-O 3.17Å; H447-R449 PolarHBondContact O-N 2.68Å; R449-F451 VanDerWaalsContact C-N 3.32Å; R449-F451 PolarHBondContact O-N 3.41Å; R449-E452 WeakPolarHBondContact CA-OE2 3.45Å; R449-E452 HydrophobicContact CB-CB 4.37Å; R449-E452 WeakPolarHBondContact CB-OE2 3.44Å; R449-E452 IonicContact CZ-OE1 3.65Å; R449-E452 VanDerWaalsContact NE-CD 3.25Å; R449-E452 IonicContact NE-OE1 3.06Å; R449-E452 PolarHBondContact NE-OE1 3.3Å; R449-E452 IonicContact NE-OE2 3.51Å; R449-E452 PolarHBondContact NE-OE2 2.94Å; R449-E452 IonicContact NH2-OE1 3.3Å; R449-E452 PolarHBondContact NH2-OE1 2.91Å; R449-E452 PolarHBondContact O-N 2.99Å; R449-E453 WeakPolarHBondContact O-CG 3.4Å; R449-E453 PolarHBondContact O-N 3.34Å; R449-E453 VanDerWaalsContact O-N 3.08Å
450S94.9Very high96.6Very high15 Ų1525.9 Ų25.911%0.10512%0.124CC..Hα-helixtrans-68.5-30.8-171.749.90000112.9F444 H447 F454F444-S450 WeakPolarHBondContact O-CB 3.19Å; F444-S450 PolarHBondContact O-OG 3.47Å; H447-S450 WeakPolarHBondContact O-CB 3.44Å; H447-S450 PolarHBondContact O-N 2.88Å; H447-S450 PolarHBondContact O-OG 3.15Å; S450-F454 WeakPolarHBondContact O-CB 3.38Å; S450-F454 PolarHBondContact O-N 3.34Å
451F97.7Very high96.8Very high6 Ų625.3 Ų25.33%0.02612%0.122CC..Hα-helixtrans-65.3-42.9173.7178.6-96.1000111.7L305 L378 N382 L423 L427 R449 F454 F455L305-F451 HydrophobicContact CD1-CB 3.92Å; L305-F451 HydrophobicContact CD1-CD1 3.69Å; L305-F451 HydrophobicContact CD1-CD2 3.63Å; L305-F451 HydrophobicContact CD1-CE1 4.05Å; L305-F451 HydrophobicContact CD1-CE2 4.01Å; L305-F451 HydrophobicContact CD1-CG 3.46Å; L305-F451 VanDerWaalsContact CD1-CG 3.46Å; L305-F451 HydrophobicContact CD1-CZ 4.21Å; L305-F451 HydrophobicContact CD2-CD1 4.49Å; L378-F451 HydrophobicContact CD1-CE1 4.11Å; L378-F451 HydrophobicContact CD2-CE1 4.06Å; L378-F451 HydrophobicContact CD2-CZ 4.15Å; L378-F451 HydrophobicContact CG-CE1 4.23Å; N382-F451 WeakPolarHBondContact ND2-CE1 3.43Å; L423-F451 HydrophobicContact CB-CE2 4.19Å; L423-F451 HydrophobicContact CB-CZ 4.42Å; L427-F451 HydrophobicContact CD1-CD2 3.8Å; L427-F451 HydrophobicContact CD1-CE2 3.97Å; R449-F451 VanDerWaalsContact C-N 3.32Å; R449-F451 PolarHBondContact O-N 3.41Å; F451-F454 WeakPolarHBondContact O-CB 3.45Å; F451-F454 PolarHBondContact O-N 3.25Å; F451-F455 PolarHBondContact O-N 2.92Å
452E98.3Very high96.9Very high8 Ų824 Ų244%0.03712%0.115CC..Hα-helixtrans-69.3-41.3178.9-63.681169.200111.9Y385 R449 F454 F455 C456Y385-E452 HydrophobicContact CD1-CB 3.39Å; Y385-E452 HydrophobicContact CD1-CG 4.22Å; Y385-E452 HydrophobicContact CD2-CB 3.98Å; Y385-E452 HydrophobicContact CD2-CG 4.04Å; Y385-E452 HydrophobicContact CE1-CB 3.6Å; Y385-E452 HydrophobicContact CE2-CB 4.19Å; Y385-E452 HydrophobicContact CG-CB 3.58Å; Y385-E452 HydrophobicContact CG-CG 3.88Å; R449-E452 WeakPolarHBondContact CA-OE2 3.45Å; R449-E452 HydrophobicContact CB-CB 4.37Å; R449-E452 WeakPolarHBondContact CB-OE2 3.44Å; R449-E452 IonicContact CZ-OE1 3.65Å; R449-E452 VanDerWaalsContact NE-CD 3.25Å; R449-E452 IonicContact NE-OE1 3.06Å; R449-E452 PolarHBondContact NE-OE1 3.3Å; R449-E452 IonicContact NE-OE2 3.51Å; R449-E452 PolarHBondContact NE-OE2 2.94Å; R449-E452 IonicContact NH2-OE1 3.3Å; R449-E452 PolarHBondContact NH2-OE1 2.91Å; R449-E452 PolarHBondContact O-N 2.99Å; E452-F454 VanDerWaalsContact C-N 3.3Å; E452-F454 PolarHBondContact O-N 3.49Å; E452-F455 WeakPolarHBondContact O-CB 3.25Å; E452-F455 PolarHBondContact O-N 3.15Å; E452-C456 PolarHBondContact O-N 3.03Å; E452-C456 PolarHBondContact O-SG 2.89Å
453E98.4Very high96.9Very high30 Ų3023.9 Ų23.914%0.1411%0.114CC..Hα-helixtrans-62.1-40.2172.7-73.7-61.1143.500111.7Y385 H390 H447 R449 C456 I457 L498Y385-E453 HydrophobicContact CE1-CG 4.46Å; Y385-E453 WeakPolarHBondContact CE1-OE1 3.21Å; Y385-E453 PolarHBondContact OH-OE1 2.9Å; Y385-E453 VanDerWaalsContact OH-OE1 3.14Å; H390-E453 IonicContact CD2-OE1 2.64Å; H390-E453 IonicContact CE1-OE1 3.32Å; H390-E453 IonicContact CE1-OE2 3.69Å; H390-E453 PolarHBondContact CE1-OE2 2.86Å; H390-E453 VanDerWaalsContact NE2-CD 3.29Å; H390-E453 IonicContact NE2-OE1 2.65Å; H390-E453 PolarHBondContact NE2-OE1 3.43Å; H390-E453 IonicContact NE2-OE2 3.61Å; H390-E453 PolarHBondContact NE2-OE2 2.62Å; H447-E453 HydrophobicContact CB-CG 4.42Å; H447-E453 WeakPolarHBondContact ND1-CG 3.41Å; R449-E453 WeakPolarHBondContact O-CG 3.4Å; R449-E453 PolarHBondContact O-N 3.34Å; R449-E453 VanDerWaalsContact O-N 3.08Å; E453-C456 WeakPolarHBondContact O-CB 3.36Å; E453-C456 PolarHBondContact O-N 3.21Å; E453-I457 WeakPolarHBondContact O-CG1 3.32Å; E453-I457 PolarHBondContact O-N 3.39Å; E453-L498 HydrophobicContact CB-CD1 3.7Å; E453-L498 HydrophobicContact CG-CD1 4.41Å
454F98.6Very high96.9Very high0 Ų027.2 Ų27.20%013%0.129CC..Hα-helixtrans-61.3-42.8173.2178.3-115000111.7L423 L427 M443 F444 S450 F451 E452 I457 C458 I487 L491 L498 F501L423-F454 HydrophobicContact CB-CE1 4.33Å; L423-F454 HydrophobicContact CD1-CD1 3.95Å; L423-F454 HydrophobicContact CD1-CE1 4.09Å; L423-F454 HydrophobicContact CD2-CD1 4.29Å; L423-F454 HydrophobicContact CD2-CE1 3.6Å; L423-F454 HydrophobicContact CD2-CZ 4.13Å; L423-F454 HydrophobicContact CG-CE1 4.18Å; L427-F454 HydrophobicContact CD1-CD1 4.22Å; L427-F454 HydrophobicContact CD1-CE1 3.99Å; L427-F454 HydrophobicContact CG-CE1 4.47Å; M443-F454 HydrophobicContact CE-CD2 3.83Å; M443-F454 HydrophobicContact CE-CE2 3.72Å; F444-F454 HydrophobicContact CE1-CB 3.96Å; F444-F454 HydrophobicContact CE1-CD1 4.11Å; F444-F454 HydrophobicContact CE1-CD2 4.37Å; F444-F454 AromaticContact CE1-CG 3.93Å; F444-F454 HydrophobicContact CE1-CG 3.93Å; F444-F454 HydrophobicContact CZ-CD1 4.18Å; F444-F454 HydrophobicContact CZ-CD2 4.31Å; F444-F454 HydrophobicContact CZ-CE1 4.31Å; F444-F454 HydrophobicContact CZ-CE2 4.44Å; F444-F454 HydrophobicContact CZ-CG 4.17Å; F444-F454 HydrophobicContact CZ-CZ 4.46Å; S450-F454 WeakPolarHBondContact O-CB 3.38Å; S450-F454 PolarHBondContact O-N 3.34Å; F451-F454 WeakPolarHBondContact O-CB 3.45Å; F451-F454 PolarHBondContact O-N 3.25Å; E452-F454 VanDerWaalsContact C-N 3.3Å; E452-F454 PolarHBondContact O-N 3.49Å; F454-I457 PolarHBondContact O-N 3.24Å; F454-C458 WeakPolarHBondContact O-CB 3.35Å; F454-C458 PolarHBondContact O-N 2.78Å; F454-C458 PolarHBondContact O-SG 2.78Å; F454-I487 HydrophobicContact CZ-CG2 3.9Å; F454-L491 HydrophobicContact CE2-CD2 4.3Å; F454-L491 HydrophobicContact CZ-CD1 4.33Å; F454-L491 HydrophobicContact CZ-CD2 4.47Å; F454-L498 HydrophobicContact CB-CD2 4.27Å; F454-F501 HydrophobicContact CD2-CD1 4.07Å; F454-F501 AromaticContact CD2-CE1 3.61Å; F454-F501 HydrophobicContact CD2-CE1 3.61Å; F454-F501 HydrophobicContact CD2-CZ 4.09Å; F454-F501 HydrophobicContact CE2-CD1 4.1Å; F454-F501 AromaticContact CE2-CE1 3.36Å; F454-F501 HydrophobicContact CE2-CE1 3.36Å; F454-F501 HydrophobicContact CE2-CE2 4.04Å; F454-F501 AromaticContact CE2-CZ 3.34Å; F454-F501 HydrophobicContact CE2-CZ 3.34Å; F454-F501 HydrophobicContact CZ-CZ 4.22Å
455F98.8Very high96.9Very high0 Ų026.9 Ų26.90%013%0.127CC..Hα-helixtrans-58.4-46.3170.6168.3-92.5000111.9N382 F386 L419 L423 F451 E452 I457 C458 I459N382-F455 HydrophobicContact CB-CD1 3.69Å; N382-F455 HydrophobicContact CB-CD2 4Å; N382-F455 HydrophobicContact CB-CE1 3.79Å; N382-F455 HydrophobicContact CB-CE2 4.1Å; N382-F455 HydrophobicContact CB-CG 3.8Å; N382-F455 HydrophobicContact CB-CZ 4.01Å; F386-F455 HydrophobicContact CB-CE1 4.15Å; L419-F455 HydrophobicContact CB-CE2 4.49Å; L419-F455 HydrophobicContact CD2-CD2 3.99Å; L419-F455 HydrophobicContact CD2-CE2 3.94Å; L419-F455 HydrophobicContact CG-CD2 4.29Å; L419-F455 HydrophobicContact CG-CE2 4.34Å; L423-F455 HydrophobicContact CD1-CB 4.02Å; L423-F455 HydrophobicContact CD1-CD2 4.24Å; F451-F455 PolarHBondContact O-N 2.92Å; E452-F455 WeakPolarHBondContact O-CB 3.25Å; E452-F455 PolarHBondContact O-N 3.15Å; F455-I457 VanDerWaalsContact C-N 3.29Å; F455-I457 PolarHBondContact O-N 3.2Å; F455-C458 CarbonylContact O-C 3.55Å; F455-C458 PolarHBondContact O-N 3.34Å; F455-C458 VanDerWaalsContact O-N 3.09Å; F455-I459 HydrophobicContact CE1-CB 4.46Å; F455-I459 HydrophobicContact CE1-CG2 4.28Å; F455-I459 HydrophobicContact CZ-CB 4.29Å; F455-I459 HydrophobicContact CZ-CG1 4.43Å; F455-I459 PolarHBondContact O-N 3.22Å
456C98.7Very high97Very high1 Ų126.6 Ų26.61%0.00713%0.126CC..Hα-helixtrans-60.7-38.1-179.8-65.50000112.1F386 E452 E453 I459 Q460F386-C456 HydrophobicContact CD2-CB 3.77Å; F386-C456 WeakPolarHBondContact CD2-SG 3.49Å; F386-C456 HydrophobicContact CE2-CB 4.24Å; E452-C456 PolarHBondContact O-N 3.03Å; E452-C456 PolarHBondContact O-SG 2.89Å; E453-C456 WeakPolarHBondContact O-CB 3.36Å; E453-C456 PolarHBondContact O-N 3.21Å; C456-I459 WeakPolarHBondContact O-CG2 3.38Å; C456-Q460 WeakPolarHBondContact O-CG 3.33Å; C456-Q460 PolarHBondContact O-N 2.74Å; C456-Q460 PolarHBondContact O-NE2 3.02Å
457I98.6Very high96.9Very high16 Ų1628.3 Ų28.38%0.08213%0.13CC..Hα-helixtrans-67.4-45.4173.4-67.2164.5000110.4E453 F454 F455 Q460 L461 L498 F501 K502 L505E453-I457 WeakPolarHBondContact O-CG1 3.32Å; E453-I457 PolarHBondContact O-N 3.39Å; F454-I457 PolarHBondContact O-N 3.24Å; F455-I457 VanDerWaalsContact C-N 3.29Å; F455-I457 PolarHBondContact O-N 3.2Å; I457-Q460 PolarHBondContact O-N 3.33Å; I457-L461 PolarHBondContact O-N 3.3Å; I457-L498 HydrophobicContact CD1-CB 3.97Å; I457-L498 HydrophobicContact CD1-CD2 4.29Å; I457-F501 HydrophobicContact CD1-CD1 4.49Å; I457-F501 HydrophobicContact CG2-CD1 4.01Å; I457-F501 HydrophobicContact CG2-CE1 3.98Å; I457-K502 HydrophobicContact CD1-CB 4.31Å; I457-K502 HydrophobicContact CG2-CB 4.15Å; I457-K502 HydrophobicContact CG2-CG 4.3Å; I457-L505 HydrophobicContact CG2-CD1 3.72Å
458C98.7Very high97Very high0 Ų028.5 Ų28.50%013%0.131CC..Hα-helixtrans-70-33.4-176.3-65.60000113.3L419 L423 F454 F455 L461 L462 I487L419-C458 HydrophobicContact CD1-CB 4Å; L419-C458 HydrophobicContact CD2-CB 3.87Å; L419-C458 HydrophobicContact CG-CB 4.39Å; L423-C458 HydrophobicContact CD1-CB 4.31Å; L423-C458 HydrophobicContact CD2-CB 4.3Å; F454-C458 WeakPolarHBondContact O-CB 3.35Å; F454-C458 PolarHBondContact O-N 2.78Å; F454-C458 PolarHBondContact O-SG 2.78Å; F455-C458 CarbonylContact O-C 3.55Å; F455-C458 PolarHBondContact O-N 3.34Å; F455-C458 VanDerWaalsContact O-N 3.09Å; C458-L461 WeakPolarHBondContact O-CB 3.37Å; C458-L461 PolarHBondContact O-N 2.85Å; C458-L462 WeakPolarHBondContact O-CB 3.2Å; C458-L462 PolarHBondContact O-N 3.4Å; C458-I487 HydrophobicContact CB-CD1 4.1Å
459I98.4Very high97.3Very high3 Ų325.6 Ų25.62%0.01512%0.115CC..Hα-helixtrans-71.5-33.6177-165.961.4000111.6F386 F412 L419 F455 C456 L462 N463F386-I459 HydrophobicContact CD1-CG2 4.11Å; F386-I459 HydrophobicContact CE1-CG2 3.89Å; F386-I459 HydrophobicContact CE2-CG2 4.36Å; F386-I459 HydrophobicContact CG-CG2 4.44Å; F386-I459 HydrophobicContact CZ-CG2 4.04Å; F412-I459 HydrophobicContact CD2-CG1 4.39Å; F412-I459 HydrophobicContact CE2-CG1 4.09Å; L419-I459 HydrophobicContact CD2-CB 3.77Å; L419-I459 HydrophobicContact CD2-CD1 3.9Å; L419-I459 HydrophobicContact CD2-CG1 4.43Å; F455-I459 HydrophobicContact CE1-CB 4.46Å; F455-I459 HydrophobicContact CE1-CG2 4.28Å; F455-I459 HydrophobicContact CZ-CB 4.29Å; F455-I459 HydrophobicContact CZ-CG1 4.43Å; F455-I459 PolarHBondContact O-N 3.22Å; C456-I459 WeakPolarHBondContact O-CG2 3.38Å; I459-L462 HydrophobicContact CD1-CD1 4.26Å; I459-L462 PolarHBondContact O-N 2.9Å; I459-N463 PolarHBondContact O-N 2.79Å
460Q98.1Very high97.4Very high58 Ų5829.2 Ų29.227%0.27113%0.129SC..Hα-helixtrans-66.6-42.5170.7-73.9172.576.400111.4F386 I397 C456 I457 N463 K464F386-Q460 HydrophobicContact CZ-CG 4.3Å; I397-Q460 HydrophobicContact CD1-CG 3.95Å; C456-Q460 WeakPolarHBondContact O-CG 3.33Å; C456-Q460 PolarHBondContact O-N 2.74Å; C456-Q460 PolarHBondContact O-NE2 3.02Å; I457-Q460 PolarHBondContact O-N 3.33Å; Q460-N463 PolarHBondContact O-N 2.82Å; Q460-K464 WeakPolarHBondContact O-CB 3.47Å; Q460-K464 PolarHBondContact O-N 2.9Å
461L98.3Very high97.3Very high9 Ų928.6 Ų28.65%0.04712%0.124CC..Hα-helixtrans-58.4-48.3172.3172.769.5000111I457 C458 N463 K464 T465 V483 Q486 I487 L505I457-L461 PolarHBondContact O-N 3.3Å; C458-L461 WeakPolarHBondContact O-CB 3.37Å; C458-L461 PolarHBondContact O-N 2.85Å; L461-N463 VanDerWaalsContact C-N 3.34Å; L461-N463 PolarHBondContact O-N 2.88Å; L461-K464 WeakPolarHBondContact O-CB 3.34Å; L461-K464 PolarHBondContact O-N 2.64Å; L461-K464 VanDerWaalsContact O-N 3.11Å; L461-T465 PolarHBondContact O-N 3.19Å; L461-T465 PolarHBondContact O-OG1 3.44Å; L461-V483 HydrophobicContact CD2-CG1 4.26Å; L461-Q486 HydrophobicContact CD2-CB 4.05Å; L461-I487 HydrophobicContact CD2-CG1 4.01Å; L461-L505 HydrophobicContact CD1-CB 4.37Å; L461-L505 HydrophobicContact CD2-CD1 3.89Å; L461-L505 HydrophobicContact CD2-CD2 3.66Å; L461-L505 HydrophobicContact CD2-CG 4.27Å
462L98.4Very high97.1Very high2 Ų229.7 Ų29.71%0.0113%0.132CC..Hα-helixtrans-56.8-48.8179.7-174.8164.4000110.9C410 L419 C458 I459 K464 T465 W466 M480 V483C410-L462 VanDerWaalsContact SG-CD2 3.6Å; L419-L462 HydrophobicContact CB-CD1 4.19Å; L419-L462 HydrophobicContact CD2-CD1 4.39Å; C458-L462 WeakPolarHBondContact O-CB 3.2Å; C458-L462 PolarHBondContact O-N 3.4Å; I459-L462 HydrophobicContact CD1-CD1 4.26Å; I459-L462 PolarHBondContact O-N 2.9Å; L462-K464 VanDerWaalsContact C-N 3.31Å; L462-K464 PolarHBondContact O-N 2.89Å; L462-T465 PolarHBondContact O-N 3.45Å; L462-W466 VanDerWaalsContact O-CB 3.31Å; L462-W466 WeakPolarHBondContact O-CB 3.31Å; L462-W466 PolarHBondContact O-N 3.43Å; L462-M480 HydrophobicContact CD1-CE 4.07Å; L462-M480 HydrophobicContact CD1-SD 3.5Å; L462-M480 VanDerWaalsContact CD1-SD 3.5Å; L462-M480 HydrophobicContact CG-SD 4.27Å; L462-V483 HydrophobicContact CB-CG1 4.45Å; L462-V483 HydrophobicContact CB-CG2 4.21Å; L462-V483 HydrophobicContact CG-CG2 4.28Å
463N96.8Very high96.8Very high10 Ų1032.1 Ų32.15%0.05315%0.149CC..Hα-helixtrans-63.2-36.4177.8-170.853.4000112.4I397 N401 I459 Q460 L461 K467I397-N463 HydrophobicContact CD1-CB 4.4Å; I397-N463 HydrophobicContact CG1-CB 4.49Å; N401-N463 PolarHBondContact ND2-OD1 3.5Å; I459-N463 PolarHBondContact O-N 2.79Å; Q460-N463 PolarHBondContact O-N 2.82Å; L461-N463 VanDerWaalsContact C-N 3.34Å; L461-N463 PolarHBondContact O-N 2.88Å; N463-K467 PolarHBondContact ND2-NZ 2.9Å; N463-K467 WeakPolarHBondContact O-CG 3.29Å; N463-K467 PolarHBondContact O-N 3Å
464K96.8Very high96.5Very high71 Ų7139.3 Ų39.331%0.30918%0.183SC..Hα-helixtrans-63.8-53.5173.5175.5-176.9168.4-174.60110.9Q460 L461 L462 W466 K467 E468 Q506Q460-K464 WeakPolarHBondContact O-CB 3.47Å; Q460-K464 PolarHBondContact O-N 2.9Å; L461-K464 WeakPolarHBondContact O-CB 3.34Å; L461-K464 PolarHBondContact O-N 2.64Å; L461-K464 VanDerWaalsContact O-N 3.11Å; L462-K464 VanDerWaalsContact C-N 3.31Å; L462-K464 PolarHBondContact O-N 2.89Å; K464-W466 VanDerWaalsContact C-N 3.32Å; K464-W466 PolarHBondContact O-N 3.4Å; K464-K467 PolarHBondContact O-N 3.38Å; K464-K467 VanDerWaalsContact O-N 3.13Å; K464-E468 WeakPolarHBondContact CE-OE1 3.46Å; K464-E468 HydrophobicContact CG-CG 4.43Å; K464-E468 IonicContact NZ-OE1 2.68Å; K464-E468 WeakPolarHBondContact O-CG 3.45Å; K464-E468 PolarHBondContact O-N 3.06Å; K464-Q506 PolarHBondContact NZ-O 3.29Å
465T97.8Very high96.2Very high0 Ų041.3 Ų41.30%019%0.194CC..Hα-helixtrans-61.1-40.6-178.9-60.90000111.5L461 L462 K467 E468 M469 V479 V482 V483 Q486L461-T465 PolarHBondContact O-N 3.19Å; L461-T465 PolarHBondContact O-OG1 3.44Å; L462-T465 PolarHBondContact O-N 3.45Å; T465-K467 VanDerWaalsContact C-N 3.32Å; T465-K467 PolarHBondContact O-N 2.91Å; T465-E468 PolarHBondContact O-N 2.93Å; T465-M469 HydrophobicContact CG2-CG 4.34Å; T465-M469 HydrophobicContact CG2-SD 3.87Å; T465-M469 WeakPolarHBondContact O-CB 3.37Å; T465-M469 VanDerWaalsContact O-CG 3.29Å; T465-M469 WeakPolarHBondContact O-CG 3.34Å; T465-M469 PolarHBondContact O-N 2.97Å; T465-V479 HydrophobicContact CG2-CG1 4.34Å; T465-V482 HydrophobicContact CG2-CB 4.25Å; T465-V482 HydrophobicContact CG2-CG1 3.66Å; T465-V483 HydrophobicContact CG2-CG2 4.08Å; T465-Q486 PolarHBondContact OG1-NE2 3.33Å; T465-Q486 VanDerWaalsContact OG1-NE2 3.16Å; T465-Q486 PolarHBondContact OG1-OE1 3.09Å
466W96.8Very high96.1Very high2 Ų241.5 Ų41.51%0.00820%0.195CC..Hα-helixtrans-53.3-48173.2179.7-83.7000112.2H408 E409 C410 L462 K464 M469 R470 A471 T472 F476 V479H408-W466 PolarHBondContact O-NE1 3.06Å; E409-W466 VanDerWaalsContact O-CZ2 3.25Å; E409-W466 WeakPolarHBondContact O-CZ2 3.36Å; C410-W466 HydrophobicContact CB-CB 4.45Å; C410-W466 HydrophobicContact CB-CD2 3.87Å; C410-W466 HydrophobicContact CB-CG 3.76Å; L462-W466 VanDerWaalsContact O-CB 3.31Å; L462-W466 WeakPolarHBondContact O-CB 3.31Å; L462-W466 PolarHBondContact O-N 3.43Å; K464-W466 VanDerWaalsContact C-N 3.32Å; K464-W466 PolarHBondContact O-N 3.4Å; W466-M469 PolarHBondContact O-N 3.34Å; W466-R470 PolarHBondContact O-N 3.45Å; W466-A471 HydrophobicContact CD2-CB 3.74Å; W466-A471 HydrophobicContact CE3-CB 3.92Å; W466-A471 HydrophobicContact CG-CB 4.2Å; W466-A471 HydrophobicContact CH2-CB 4.35Å; W466-A471 HydrophobicContact CZ2-CB 4.2Å; W466-A471 HydrophobicContact CZ3-CB 4.21Å; W466-A471 PolarHBondContact O-N 3.24Å; W466-A471 VanDerWaalsContact O-N 3.09Å; W466-T472 VanDerWaalsContact CH2-C 3.44Å; W466-T472 WeakPolarHBondContact CH2-O 3.38Å; W466-F476 HydrophobicContact CH2-CD2 4.47Å; W466-F476 HydrophobicContact CZ3-CB 4.24Å; W466-F476 AromaticContact CZ3-CD2 3.87Å; W466-F476 HydrophobicContact CZ3-CD2 3.87Å; W466-V479 HydrophobicContact CB-CG1 4.33Å; W466-V479 HydrophobicContact CE3-CB 4.2Å; W466-V479 HydrophobicContact CE3-CG1 4.11Å; W466-V479 HydrophobicContact CE3-CG2 3.84Å; W466-V479 HydrophobicContact CZ3-CG2 4.25Å
467K94.9Very high95.9Very high72 Ų7246.4 Ų46.431%0.31322%0.221SC..Hα-helixtrans-68.2-42.2178.5-69.2172.6-176.6-179.30112.3E400 N463 K464 T465 M469 R470E400-K467 IonicContact OE2-NZ 3.81Å; E400-K467 PolarHBondContact OE2-NZ 3.31Å; N463-K467 PolarHBondContact ND2-NZ 2.9Å; N463-K467 WeakPolarHBondContact O-CG 3.29Å; N463-K467 PolarHBondContact O-N 3Å; K464-K467 PolarHBondContact O-N 3.38Å; K464-K467 VanDerWaalsContact O-N 3.13Å; T465-K467 VanDerWaalsContact C-N 3.32Å; T465-K467 PolarHBondContact O-N 2.91Å; K467-M469 VanDerWaalsContact C-N 3.25Å; K467-M469 PolarHBondContact O-N 2.89Å; K467-R470 PolarHBondContact O-N 3.17Å
468E95.8Very high95.7Very high70 Ų7051.2 Ų51.233%0.32724%0.241SC..Hα-helixtrans-61-36.7177.1-71.2178.7171.700112K464 T465 R470 Y510K464-E468 WeakPolarHBondContact CE-OE1 3.46Å; K464-E468 HydrophobicContact CG-CG 4.43Å; K464-E468 IonicContact NZ-OE1 2.68Å; K464-E468 WeakPolarHBondContact O-CG 3.45Å; K464-E468 PolarHBondContact O-N 3.06Å; T465-E468 PolarHBondContact O-N 2.93Å; E468-R470 VanDerWaalsContact C-N 3.27Å; E468-R470 PolarHBondContact O-N 2.97Å; E468-Y510 HydrophobicContact CB-CD1 4.46Å; E468-Y510 VanDerWaalsContact OE2-CB 3.27Å; E468-Y510 WeakPolarHBondContact OE2-CB 3.16Å; E468-Y510 PolarHBondContact OE2-N 3.24Å
469M95.8Very high95.6Very high36 Ų3651.3 Ų51.318%0.17724%0.241CC..THydrogen-bonded Turntrans-77.2-10.4175.8-69-178.765.800113.5T465 W466 K467 A471 K478 V479 V482 Y510T465-M469 HydrophobicContact CG2-CG 4.34Å; T465-M469 HydrophobicContact CG2-SD 3.87Å; T465-M469 WeakPolarHBondContact O-CB 3.37Å; T465-M469 VanDerWaalsContact O-CG 3.29Å; T465-M469 WeakPolarHBondContact O-CG 3.34Å; T465-M469 PolarHBondContact O-N 2.97Å; W466-M469 PolarHBondContact O-N 3.34Å; K467-M469 VanDerWaalsContact C-N 3.25Å; K467-M469 PolarHBondContact O-N 2.89Å; M469-A471 HydrophobicContact CB-CB 4.15Å; M469-A471 PolarHBondContact O-N 3.03Å; M469-K478 HydrophobicContact CE-CB 4.41Å; M469-V479 HydrophobicContact CE-CG2 3.94Å; M469-V479 HydrophobicContact SD-CB 4.21Å; M469-V479 HydrophobicContact SD-CG1 4.38Å; M469-V479 HydrophobicContact SD-CG2 3.73Å; M469-V482 HydrophobicContact CE-CG2 4.26Å; M469-V482 HydrophobicContact SD-CB 4.26Å; M469-V482 HydrophobicContact SD-CG1 4.47Å; M469-V482 HydrophobicContact SD-CG2 4.03Å; M469-Y510 HydrophobicContact CB-CE1 4.39Å; M469-Y510 HydrophobicContact CE-CE2 4.11Å; M469-Y510 HydrophobicContact CG-CD1 3.66Å; M469-Y510 HydrophobicContact CG-CD2 3.62Å; M469-Y510 HydrophobicContact CG-CE1 3.7Å; M469-Y510 HydrophobicContact CG-CE2 3.65Å; M469-Y510 HydrophobicContact CG-CG 3.61Å; M469-Y510 HydrophobicContact SD-CD2 4Å; M469-Y510 HydrophobicContact SD-CE2 3.93Å
470R93.9Very high95.6Very high205 Ų20551.5 Ų51.577%0.77424%0.242SC*.THydrogen-bonded Turntrans47.142.1-167-57.6-177.3-179.8-172.9-0.2111.1H408 W466 K467 E468H408-R470 PolarHBondContact CE1-O 3.16Å; H408-R470 PolarHBondContact ND1-O 3.02Å; W466-R470 PolarHBondContact O-N 3.45Å; K467-R470 PolarHBondContact O-N 3.17Å; E468-R470 VanDerWaalsContact C-N 3.27Å; E468-R470 PolarHBondContact O-N 2.97Å
471A94.1Very high95.5Very high1 Ų155 Ų551%0.00826%0.259CS..  trans-67.4156-170.900000111.9H408 W466 M469 D475 V479H408-A471 WeakPolarHBondContact CA-O 3.28Å; H408-A471 PolarHBondContact ND1-O 3.36Å; W466-A471 HydrophobicContact CD2-CB 3.74Å; W466-A471 HydrophobicContact CE3-CB 3.92Å; W466-A471 HydrophobicContact CG-CB 4.2Å; W466-A471 HydrophobicContact CH2-CB 4.35Å; W466-A471 HydrophobicContact CZ2-CB 4.2Å; W466-A471 HydrophobicContact CZ3-CB 4.21Å; W466-A471 PolarHBondContact O-N 3.24Å; W466-A471 VanDerWaalsContact O-N 3.09Å; M469-A471 HydrophobicContact CB-CB 4.15Å; M469-A471 PolarHBondContact O-N 3.03Å; A471-D475 HydrophobicContact CB-CB 4.08Å; A471-V479 HydrophobicContact CB-CG2 3.45Å; A471-V479 VanDerWaalsContact CB-CG2 3.45Å
472T94.1Very high95.5Very high30 Ų3054.8 Ų54.818%0.18426%0.258CS..  trans-117.3174.7167.967.70000109.8K407 W466 E474 D475K407-T472 HydrophobicContact CB-CG2 4.26Å; K407-T472 WeakPolarHBondContact O-CA 3.39Å; K407-T472 WeakPolarHBondContact O-CB 3.43Å; K407-T472 WeakPolarHBondContact O-CG2 3.3Å; W466-T472 VanDerWaalsContact CH2-C 3.44Å; W466-T472 WeakPolarHBondContact CH2-O 3.38Å; T472-E474 PolarHBondContact O-N 3.35Å; T472-E474 PolarHBondContact OG1-N 2.85Å; T472-D475 PolarHBondContact N-OD2 3.44Å; T472-D475 PolarHBondContact O-N 3.49Å; T472-D475 PolarHBondContact OG1-OD2 3.02Å
473S90.3Very high95.5Very high59 Ų5954.7 Ų54.741%0.41326%0.257SS..G310 helixtrans-53-26.3175.4-75.10000114.6F476S473-F476 WeakPolarHBondContact O-CB 3.33Å
474E92.7Very high95.6Very high181 Ų18157.7 Ų57.785%0.84627%0.268SS*.G310 helixtrans-74.8-27.2177.3-64.1178.4-172.100112.7T472 F476T472-E474 PolarHBondContact O-N 3.35Å; T472-E474 PolarHBondContact OG1-N 2.85Å; E474-F476 VanDerWaalsContact C-N 3.32Å
475D93.4Very high95.6Very high41 Ų4155.7 Ų55.722%0.21926%0.26CS..G310 helixtrans-88.2-0-180-62.5-62.4000113.2A471 T472 N477 K478 V479A471-D475 HydrophobicContact CB-CB 4.08Å; T472-D475 PolarHBondContact N-OD2 3.44Å; T472-D475 PolarHBondContact O-N 3.49Å; T472-D475 PolarHBondContact OG1-OD2 3.02Å; D475-N477 VanDerWaalsContact C-N 3.31Å; D475-N477 PolarHBondContact O-N 2.95Å; D475-K478 WeakPolarHBondContact O-CA 3.49Å; D475-K478 WeakPolarHBondContact O-CB 3.29Å; D475-K478 PolarHBondContact O-N 3.34Å; D475-K478 IonicContact OD1-NZ 3.6Å; D475-K478 PolarHBondContact OD1-NZ 3.32Å; D475-V479 PolarHBondContact O-N 3.47Å
476F95.2Very high95.6Very high5 Ų555.7 Ų55.72%0.02226%0.26CS..Hα-helixtrans-47.6-50.6-174-177.6-89.1000113.1P411 R414 E418 W466 S473 E474 K478 V479 M480P411-F476 HydrophobicContact CG-CD2 4.24Å; P411-F476 HydrophobicContact CG-CE2 4.17Å; R414-F476 HydrophobicContact CG-CE1 4.33Å; R414-F476 HydrophobicContact CG-CE2 4Å; R414-F476 HydrophobicContact CG-CZ 3.76Å; E418-F476 HydrophobicContact CB-CE1 4.13Å; E418-F476 HydrophobicContact CB-CZ 4.01Å; E418-F476 HydrophobicContact CG-CE1 4.05Å; E418-F476 HydrophobicContact CG-CZ 4.38Å; W466-F476 HydrophobicContact CH2-CD2 4.47Å; W466-F476 HydrophobicContact CZ3-CB 4.24Å; W466-F476 AromaticContact CZ3-CD2 3.87Å; W466-F476 HydrophobicContact CZ3-CD2 3.87Å; S473-F476 WeakPolarHBondContact O-CB 3.33Å; E474-F476 VanDerWaalsContact C-N 3.32Å; F476-K478 VanDerWaalsContact C-N 3.3Å; F476-K478 PolarHBondContact O-N 2.81Å; F476-V479 PolarHBondContact O-N 3.39Å; F476-M480 HydrophobicContact CD1-CG 4.14Å; F476-M480 HydrophobicContact CE1-CG 3.78Å; F476-M480 HydrophobicContact CZ-CG 4.1Å; F476-M480 HydrophobicContact CZ-SD 4.28Å; F476-M480 WeakPolarHBondContact O-CG 3.35Å; F476-M480 PolarHBondContact O-N 3.37Å
477N94.3Very high95.7Very high104 Ų10455.6 Ų55.656%0.55626%0.259SS*.Hα-helixtrans-64-35-179.6-65.5-21.1000112.5D475 M480 Q481D475-N477 VanDerWaalsContact C-N 3.31Å; D475-N477 PolarHBondContact O-N 2.95Å; N477-M480 PolarHBondContact O-N 2.91Å; N477-Q481 WeakPolarHBondContact O-CG 3.5Å; N477-Q481 PolarHBondContact O-N 2.88Å
478K95Very high95.9Very high117 Ų11756.3 Ų56.351%0.50927%0.265SS..Hα-helixtrans-69.2-41.7177-59.8175.3-168.2155.70111M469 D475 F476 M480 Q481 V482M469-K478 HydrophobicContact CE-CB 4.41Å; D475-K478 WeakPolarHBondContact O-CA 3.49Å; D475-K478 WeakPolarHBondContact O-CB 3.29Å; D475-K478 PolarHBondContact O-N 3.34Å; D475-K478 IonicContact OD1-NZ 3.6Å; D475-K478 PolarHBondContact OD1-NZ 3.32Å; F476-K478 VanDerWaalsContact C-N 3.3Å; F476-K478 PolarHBondContact O-N 2.81Å; K478-M480 VanDerWaalsContact C-N 3.32Å; K478-M480 PolarHBondContact O-N 2.97Å; K478-Q481 PolarHBondContact O-N 3.11Å; K478-V482 WeakPolarHBondContact O-CG2 3.3Å; K478-V482 PolarHBondContact O-N 3.32Å
479V97.8Very high95.9Very high1 Ų156.5 Ų56.51%0.00626%0.263CS..Hα-helixtrans-59.6-46.6174.7179.20000109.7T465 W466 M469 A471 D475 F476 Q481 V482 V483T465-V479 HydrophobicContact CG2-CG1 4.34Å; W466-V479 HydrophobicContact CB-CG1 4.33Å; W466-V479 HydrophobicContact CE3-CB 4.2Å; W466-V479 HydrophobicContact CE3-CG1 4.11Å; W466-V479 HydrophobicContact CE3-CG2 3.84Å; W466-V479 HydrophobicContact CZ3-CG2 4.25Å; M469-V479 HydrophobicContact CE-CG2 3.94Å; M469-V479 HydrophobicContact SD-CB 4.21Å; M469-V479 HydrophobicContact SD-CG1 4.38Å; M469-V479 HydrophobicContact SD-CG2 3.73Å; A471-V479 HydrophobicContact CB-CG2 3.45Å; A471-V479 VanDerWaalsContact CB-CG2 3.45Å; D475-V479 PolarHBondContact O-N 3.47Å; F476-V479 PolarHBondContact O-N 3.39Å; V479-Q481 VanDerWaalsContact C-N 3.31Å; V479-Q481 PolarHBondContact O-N 3.27Å; V479-V482 PolarHBondContact O-N 2.86Å; V479-V482 VanDerWaalsContact O-N 3.16Å; V479-V483 HydrophobicContact CG1-CG2 4.24Å; V479-V483 WeakPolarHBondContact O-CG2 3.33Å; V479-V483 PolarHBondContact O-N 2.84Å
480M98Very high95.9Very high8 Ų854.8 Ų54.84%0.03925%0.254CS..Hα-helixtrans-58.4-41.6176.6-68.1-51.4-71.600112.2E418 L419 M422 L462 F476 N477 K478 V483 R484E418-M480 HydrophobicContact CB-CE 3.9Å; E418-M480 HydrophobicContact CG-CE 3.56Å; E418-M480 HydrophobicContact CG-CG 4.1Å; E418-M480 HydrophobicContact CG-SD 4.4Å; L419-M480 HydrophobicContact CB-CE 4.24Å; M422-M480 HydrophobicContact CE-CB 3.76Å; M422-M480 HydrophobicContact CE-CE 3.36Å; M422-M480 WeakPolarHBondContact CE-O 3.26Å; M422-M480 HydrophobicContact CE-SD 4.44Å; M422-M480 HydrophobicContact SD-CE 4.34Å; L462-M480 HydrophobicContact CD1-CE 4.07Å; L462-M480 HydrophobicContact CD1-SD 3.5Å; L462-M480 VanDerWaalsContact CD1-SD 3.5Å; L462-M480 HydrophobicContact CG-SD 4.27Å; F476-M480 HydrophobicContact CD1-CG 4.14Å; F476-M480 HydrophobicContact CE1-CG 3.78Å; F476-M480 HydrophobicContact CZ-CG 4.1Å; F476-M480 HydrophobicContact CZ-SD 4.28Å; F476-M480 WeakPolarHBondContact O-CG 3.35Å; F476-M480 PolarHBondContact O-N 3.37Å; N477-M480 PolarHBondContact O-N 2.91Å; K478-M480 VanDerWaalsContact C-N 3.32Å; K478-M480 PolarHBondContact O-N 2.97Å; M480-V483 PolarHBondContact O-N 3.43Å; M480-R484 WeakPolarHBondContact O-CB 3.3Å; M480-R484 PolarHBondContact O-N 3.09Å
481Q96.6Very high96.1Very high131 Ų13145.5 Ų45.561%0.61222%0.22SC*.Hα-helixtrans-63-42.5175.4-73.2173-6.900112.9N477 K478 V479 R484 E485N477-Q481 WeakPolarHBondContact O-CG 3.5Å; N477-Q481 PolarHBondContact O-N 2.88Å; K478-Q481 PolarHBondContact O-N 3.11Å; V479-Q481 VanDerWaalsContact C-N 3.31Å; V479-Q481 PolarHBondContact O-N 3.27Å; Q481-R484 WeakPolarHBondContact O-CB 3.42Å; Q481-R484 PolarHBondContact O-N 3.02Å; Q481-E485 PolarHBondContact O-N 3.25Å
482V97.8Very high96Very high4 Ų449.8 Ų49.82%0.02425%0.25CC..Hα-helixtrans-62.9-44.9175.41740000110.6T465 M469 K478 V479 R484 E485 Q486 Y510 I513T465-V482 HydrophobicContact CG2-CB 4.25Å; T465-V482 HydrophobicContact CG2-CG1 3.66Å; M469-V482 HydrophobicContact CE-CG2 4.26Å; M469-V482 HydrophobicContact SD-CB 4.26Å; M469-V482 HydrophobicContact SD-CG1 4.47Å; M469-V482 HydrophobicContact SD-CG2 4.03Å; K478-V482 WeakPolarHBondContact O-CG2 3.3Å; K478-V482 PolarHBondContact O-N 3.32Å; V479-V482 PolarHBondContact O-N 2.86Å; V479-V482 VanDerWaalsContact O-N 3.16Å; V482-R484 VanDerWaalsContact C-N 3.33Å; V482-R484 PolarHBondContact O-N 3.1Å; V482-E485 PolarHBondContact O-N 3.34Å; V482-Q486 HydrophobicContact CG1-CG 4.4Å; V482-Q486 WeakPolarHBondContact O-CG 3.44Å; V482-Q486 PolarHBondContact O-N 3.24Å; V482-Y510 HydrophobicContact CG1-CD2 4Å; V482-Y510 HydrophobicContact CG2-CD2 4.44Å; V482-Y510 HydrophobicContact CG2-CE2 4.29Å; V482-I513 HydrophobicContact CG1-CG2 4.41Å
483V98.6Very high96Very high0 Ų052.4 Ų52.40%027%0.265CS..Hα-helixtrans-61.2-42.4177.11720000111L419 L461 L462 T465 V479 M480 E485 Q486 I487L419-V483 HydrophobicContact CD1-CG1 4.48Å; L461-V483 HydrophobicContact CD2-CG1 4.26Å; L462-V483 HydrophobicContact CB-CG1 4.45Å; L462-V483 HydrophobicContact CB-CG2 4.21Å; L462-V483 HydrophobicContact CG-CG2 4.28Å; T465-V483 HydrophobicContact CG2-CG2 4.08Å; V479-V483 HydrophobicContact CG1-CG2 4.24Å; V479-V483 WeakPolarHBondContact O-CG2 3.33Å; V479-V483 PolarHBondContact O-N 2.84Å; M480-V483 PolarHBondContact O-N 3.43Å; V483-E485 VanDerWaalsContact C-N 3.33Å; V483-E485 PolarHBondContact O-N 3.02Å; V483-Q486 PolarHBondContact O-N 3.49Å; V483-I487 HydrophobicContact CG1-CD1 3.74Å; V483-I487 HydrophobicContact CG1-CG1 4.44Å; V483-I487 VanDerWaalsContact O-CG1 3.28Å; V483-I487 WeakPolarHBondContact O-CG1 3.41Å; V483-I487 PolarHBondContact O-N 3.14Å
484R98.5Very high96.1Very high73 Ų7354.1 Ų54.128%0.27527%0.265SS..Hα-helixtrans-57-47.9173.9-163.1-174.4-176.6101.90.7111.3M422 E425 I426 M480 Q481 V482 I487 M488M422-R484 HydrophobicContact CE-CB 3.91Å; M422-R484 HydrophobicContact CE-CG 4.46Å; M422-R484 HydrophobicContact CG-CB 4.43Å; M422-R484 HydrophobicContact CG-CG 4.07Å; M422-R484 HydrophobicContact SD-CB 3.61Å; M422-R484 HydrophobicContact SD-CG 3.89Å; E425-R484 IonicContact OE2-CZ 3.08Å; E425-R484 IonicContact OE2-NH1 3.42Å; E425-R484 PolarHBondContact OE2-NH1 2.94Å; E425-R484 IonicContact OE2-NH2 3.64Å; I426-R484 HydrophobicContact CD1-CG 4.06Å; I426-R484 HydrophobicContact CG1-CG 4.49Å; M480-R484 WeakPolarHBondContact O-CB 3.3Å; M480-R484 PolarHBondContact O-N 3.09Å; Q481-R484 WeakPolarHBondContact O-CB 3.42Å; Q481-R484 PolarHBondContact O-N 3.02Å; V482-R484 VanDerWaalsContact C-N 3.33Å; V482-R484 PolarHBondContact O-N 3.1Å; R484-I487 PolarHBondContact O-N 2.99Å; R484-M488 HydrophobicContact CG-CE 4.06Å; R484-M488 HydrophobicContact CG-CG 4.48Å; R484-M488 HydrophobicContact CG-SD 4.2Å; R484-M488 WeakPolarHBondContact O-CB 3.32Å; R484-M488 VanDerWaalsContact O-CG 3.31Å; R484-M488 WeakPolarHBondContact O-CG 3.47Å; R484-M488 PolarHBondContact O-N 3.19Å
485E97Very high96.3Very high30 Ų3045.8 Ų45.814%0.1423%0.227CC..Hα-helixtrans-62.9-43.8178.8-172.8-179.1166.400111.9Q481 V482 V483 I487 M488 R489 R517Q481-E485 PolarHBondContact O-N 3.25Å; V482-E485 PolarHBondContact O-N 3.34Å; V483-E485 VanDerWaalsContact C-N 3.33Å; V483-E485 PolarHBondContact O-N 3.02Å; E485-I487 VanDerWaalsContact C-N 3.33Å; E485-I487 PolarHBondContact O-N 3.31Å; E485-M488 PolarHBondContact O-N 3.47Å; E485-R489 HydrophobicContact CG-CG 4.28Å; E485-R489 WeakPolarHBondContact O-CB 3.4Å; E485-R489 WeakPolarHBondContact O-CG 3.49Å; E485-R489 PolarHBondContact O-N 3.34Å; E485-R489 IonicContact OE1-CZ 2.81Å; E485-R489 VanDerWaalsContact OE1-CZ 3.22Å; E485-R489 IonicContact OE1-NE 3.75Å; E485-R489 PolarHBondContact OE1-NE 3.38Å; E485-R489 IonicContact OE1-NH2 2.73Å; E485-R489 PolarHBondContact OE1-NH2 3.29Å; E485-R517 IonicContact OE1-NE 2.63Å; E485-R517 IonicContact OE2-CZ 2.82Å; E485-R517 IonicContact OE2-NE 3.35Å; E485-R517 PolarHBondContact OE2-NE 2.81Å; E485-R517 IonicContact OE2-NH2 2.98Å; E485-R517 PolarHBondContact OE2-NH2 3.39Å
486Q98.3Very high96.3Very high0 Ų048.5 Ų48.50%024%0.241CC..Hα-helixtrans-57.7-45.8175.6-71.9170.2-48.700111.4L461 T465 V482 V483 A490 L505 L508 I513L461-Q486 HydrophobicContact CD2-CB 4.05Å; T465-Q486 PolarHBondContact OG1-NE2 3.33Å; T465-Q486 VanDerWaalsContact OG1-NE2 3.16Å; T465-Q486 PolarHBondContact OG1-OE1 3.09Å; V482-Q486 HydrophobicContact CG1-CG 4.4Å; V482-Q486 WeakPolarHBondContact O-CG 3.44Å; V482-Q486 PolarHBondContact O-N 3.24Å; V483-Q486 PolarHBondContact O-N 3.49Å; Q486-A490 VanDerWaalsContact O-CB 3.31Å; Q486-A490 WeakPolarHBondContact O-CB 3.4Å; Q486-A490 PolarHBondContact O-N 3.13Å; Q486-L505 HydrophobicContact CB-CD2 4.25Å; Q486-L508 PolarHBondContact NE2-O 3.11Å; Q486-I513 HydrophobicContact CG-CD1 3.92Å; Q486-I513 HydrophobicContact CG-CG1 3.71Å
487I98.5Very high96.4Very high0 Ų049.7 Ų49.70%025%0.25CS..Hα-helixtrans-65.2-50.6178.7-67.2165.4000110.5L419 L423 I426 F454 C458 L461 V483 R484 E485 R489 A490 L491 F501L419-I487 HydrophobicContact CD1-CD1 4.36Å; L423-I487 HydrophobicContact CD2-CD1 3.87Å; I426-I487 HydrophobicContact CD1-CB 4.3Å; I426-I487 HydrophobicContact CD1-CG2 3.81Å; F454-I487 HydrophobicContact CZ-CG2 3.9Å; C458-I487 HydrophobicContact CB-CD1 4.1Å; L461-I487 HydrophobicContact CD2-CG1 4.01Å; V483-I487 HydrophobicContact CG1-CD1 3.74Å; V483-I487 HydrophobicContact CG1-CG1 4.44Å; V483-I487 VanDerWaalsContact O-CG1 3.28Å; V483-I487 WeakPolarHBondContact O-CG1 3.41Å; V483-I487 PolarHBondContact O-N 3.14Å; R484-I487 PolarHBondContact O-N 2.99Å; E485-I487 VanDerWaalsContact C-N 3.33Å; E485-I487 PolarHBondContact O-N 3.31Å; I487-R489 PolarHBondContact O-N 2.88Å; I487-A490 PolarHBondContact O-N 3.2Å; I487-A490 VanDerWaalsContact O-N 3.12Å; I487-L491 HydrophobicContact CG2-CD1 3.87Å; I487-L491 HydrophobicContact CG2-CG 4.29Å; I487-L491 WeakPolarHBondContact O-CG 3.49Å; I487-L491 PolarHBondContact O-N 3.35Å; I487-F501 HydrophobicContact CG2-CZ 4.3Å
488M97.6Very high96.6Very high87 Ų8745.5 Ų45.543%0.42923%0.228SC..Hα-helixtrans-61.5-43.8-178.9-69.4-173.3-52.200112I426 R484 E485 A490 L491 S492I426-M488 HydrophobicContact CD1-CG 4.36Å; I426-M488 HydrophobicContact CG1-CG 4.44Å; R484-M488 HydrophobicContact CG-CE 4.06Å; R484-M488 HydrophobicContact CG-CG 4.48Å; R484-M488 HydrophobicContact CG-SD 4.2Å; R484-M488 WeakPolarHBondContact O-CB 3.32Å; R484-M488 VanDerWaalsContact O-CG 3.31Å; R484-M488 WeakPolarHBondContact O-CG 3.47Å; R484-M488 PolarHBondContact O-N 3.19Å; E485-M488 PolarHBondContact O-N 3.47Å; M488-A490 VanDerWaalsContact C-N 3.27Å; M488-A490 PolarHBondContact O-N 3.09Å; M488-L491 PolarHBondContact O-N 3.42Å; M488-S492 PolarHBondContact O-N 3.22Å
489R95.6Very high96.7Very high74 Ų7445.8 Ų45.828%0.27924%0.235SC..Hα-helixtrans-67.1-25.9175.9-70.4-174.5-175-100.59.9113.2E485 I487 S492 L508 E520E485-R489 HydrophobicContact CG-CG 4.28Å; E485-R489 WeakPolarHBondContact O-CB 3.4Å; E485-R489 WeakPolarHBondContact O-CG 3.49Å; E485-R489 PolarHBondContact O-N 3.34Å; E485-R489 IonicContact OE1-CZ 2.81Å; E485-R489 VanDerWaalsContact OE1-CZ 3.22Å; E485-R489 IonicContact OE1-NE 3.75Å; E485-R489 PolarHBondContact OE1-NE 3.38Å; E485-R489 IonicContact OE1-NH2 2.73Å; E485-R489 PolarHBondContact OE1-NH2 3.29Å; I487-R489 PolarHBondContact O-N 2.88Å; R489-S492 PolarHBondContact O-OG 3.29Å; R489-S492 VanDerWaalsContact O-OG 3.06Å; R489-L508 HydrophobicContact CB-CD1 4.24Å; R489-E520 IonicContact CZ-OE1 2.6Å; R489-E520 IonicContact NH1-OE1 2.81Å; R489-E520 PolarHBondContact NH1-OE1 3.01Å; R489-E520 IonicContact NH2-OE1 2.85Å; R489-E520 PolarHBondContact NH2-OE1 3.28Å; R489-E520 IonicContact NH2-OE2 2.99Å
490A97.4Very high96.6Very high0 Ų050 Ų500%026%0.255CS..Hα-helixtrans-79-39173.800000111.9Q486 I487 M488 F501 R504 L505 L508Q486-A490 VanDerWaalsContact O-CB 3.31Å; Q486-A490 WeakPolarHBondContact O-CB 3.4Å; Q486-A490 PolarHBondContact O-N 3.13Å; I487-A490 PolarHBondContact O-N 3.2Å; I487-A490 VanDerWaalsContact O-N 3.12Å; M488-A490 VanDerWaalsContact C-N 3.27Å; M488-A490 PolarHBondContact O-N 3.09Å; A490-F501 HydrophobicContact CB-CD2 3.86Å; A490-F501 HydrophobicContact CB-CE2 3.45Å; A490-F501 VanDerWaalsContact CB-CE2 3.45Å; A490-F501 HydrophobicContact CB-CZ 4.33Å; A490-R504 HydrophobicContact CB-CG 3.96Å; A490-L505 HydrophobicContact CB-CD2 3.67Å; A490-L505 HydrophobicContact CB-CG 4.14Å; A490-L508 HydrophobicContact CB-CD1 4.05Å
491L96.4Very high96.7Very high10 Ų1049.7 Ų49.75%0.05225%0.253CS..Hα-helixtrans-66.6-33.9176.2-73.8176.1000112.9I426 M443 F454 I487 M488 V493 K494 F501I426-L491 HydrophobicContact CG2-CD1 3.53Å; M443-L491 HydrophobicContact CE-CD2 3.3Å; M443-L491 HydrophobicContact SD-CD2 4.48Å; F454-L491 HydrophobicContact CE2-CD2 4.3Å; F454-L491 HydrophobicContact CZ-CD1 4.33Å; F454-L491 HydrophobicContact CZ-CD2 4.47Å; I487-L491 HydrophobicContact CG2-CD1 3.87Å; I487-L491 HydrophobicContact CG2-CG 4.29Å; I487-L491 WeakPolarHBondContact O-CG 3.49Å; I487-L491 PolarHBondContact O-N 3.35Å; M488-L491 PolarHBondContact O-N 3.42Å; L491-V493 PolarHBondContact O-N 3.1Å; L491-K494 PolarHBondContact O-N 3.43Å; L491-F501 HydrophobicContact CD2-CD2 4.4Å; L491-F501 HydrophobicContact CD2-CE2 4.03Å; L491-F501 HydrophobicContact CG-CE2 4.09Å
492S93.8Very high96.7Very high91 Ų9147.2 Ų47.264%0.63624%0.24SC*.THydrogen-bonded Turntrans-62-17.4-17972.10000114.1M488 R489 K494M488-S492 PolarHBondContact O-N 3.22Å; R489-S492 PolarHBondContact O-OG 3.29Å; R489-S492 VanDerWaalsContact O-OG 3.06Å; S492-K494 VanDerWaalsContact C-N 3.34Å
493V93.1Very high96.6Very high84 Ų8449.9 Ų49.951%0.50926%0.259SS..THydrogen-bonded Turntrans-89.6-1.5176.8-167.70000111.9L491L491-V493 PolarHBondContact O-N 3.1Å
494K93.3Very high96.5Very high96 Ų9655 Ų5542%0.41728%0.278SS..  trans47.464.3-180-55.4-167.9-168-170.40113.3D439 L491 S492D439-K494 VanDerWaalsContact CG-NZ 3.35Å; D439-K494 WeakPolarHBondContact OD1-CE 3.16Å; D439-K494 IonicContact OD1-NZ 3.72Å; D439-K494 PolarHBondContact OD1-NZ 2.82Å; D439-K494 IonicContact OD2-NZ 3.14Å; L491-K494 PolarHBondContact O-N 3.43Å; S492-K494 VanDerWaalsContact C-N 3.34Å
495P95.9Very high96.4Very high5 Ų551.8 Ų51.83%0.03227%0.266CS..  trans-60.1143.3178.927-34.9000111.8M443 Q500 F501M443-P495 WeakPolarHBondContact CB-O 3.5Å; M443-P495 PolarHBondContact N-O 3.29Å; M443-P495 HydrophobicContact SD-CG 3.72Å; P495-Q500 HydrophobicContact CB-CB 4.08Å; P495-Q500 HydrophobicContact CB-CG 4.05Å; P495-F501 HydrophobicContact CB-CB 4.14Å; P495-F501 HydrophobicContact CG-CB 3.79Å; P495-F501 HydrophobicContact CG-CD2 3.98Å; P495-F501 HydrophobicContact CG-CG 4.35Å
496N94.3Very high96.2Very high98 Ų9855.7 Ų55.752%0.52429%0.285SS..SBendtrans-84.1-10.1-177.6-70.2-36.5000113.5T446T446-N496 VanDerWaalsContact CG2-O 3.3Å; T446-N496 WeakPolarHBondContact CG2-O 3.42Å
497S97Very high96Very high31 Ų3160.8 Ų60.822%0.21731%0.312CS..SBendtrans-151.9159176.772.30000112D499 Q500 F501S497-D499 PolarHBondContact O-N 3.35Å; S497-Q500 PolarHBondContact O-N 2.9Å; S497-Q500 PolarHBondContact OG-N 3.14Å; S497-Q500 VanDerWaalsContact OG-N 3.14Å; S497-F501 PolarHBondContact O-N 3.39Å
498L97.5Very high95.8Very high15 Ų1561.1 Ų61.18%0.07931%0.314CS..Hα-helixtrans-61.6-32.2174.7-68.8166.4000112.3M443 H447 E453 F454 I457 F501 K502M443-L498 HydrophobicContact CG-CD2 4.49Å; M443-L498 HydrophobicContact SD-CD2 4.22Å; H447-L498 HydrophobicContact CB-CD1 3.79Å; E453-L498 HydrophobicContact CB-CD1 3.7Å; E453-L498 HydrophobicContact CG-CD1 4.41Å; F454-L498 HydrophobicContact CB-CD2 4.27Å; I457-L498 HydrophobicContact CD1-CB 3.97Å; I457-L498 HydrophobicContact CD1-CD2 4.29Å; L498-F501 WeakPolarHBondContact O-CB 3.42Å; L498-F501 PolarHBondContact O-N 2.88Å; L498-K502 WeakPolarHBondContact O-CB 3.38Å; L498-K502 PolarHBondContact O-N 2.87Å
499D96.9Very high95.7Very high123 Ų12358 Ų5866%0.65830%0.3SS*.Hα-helixtrans-68.2-40.2174.4-68.4-43.4000112.5S497 F501 K502 S503S497-D499 PolarHBondContact O-N 3.35Å; D499-F501 VanDerWaalsContact C-N 3.33Å; D499-K502 PolarHBondContact O-N 3.06Å; D499-S503 WeakPolarHBondContact O-CB 3.11Å; D499-S503 PolarHBondContact O-N 3.32Å
500Q97.4Very high95.6Very high91 Ų9156.9 Ų56.943%0.42530%0.296SS..Hα-helixtrans-65-41174.9-172-177.812.500110.7P495 S497 S503 R504P495-Q500 HydrophobicContact CB-CB 4.08Å; P495-Q500 HydrophobicContact CB-CG 4.05Å; S497-Q500 PolarHBondContact O-N 2.9Å; S497-Q500 PolarHBondContact OG-N 3.14Å; S497-Q500 VanDerWaalsContact OG-N 3.14Å; Q500-S503 PolarHBondContact O-N 2.95Å; Q500-R504 WeakPolarHBondContact O-CB 3.38Å; Q500-R504 PolarHBondContact O-N 2.96Å
501F98.3Very high95.5Very high0 Ų060.7 Ų60.70%032%0.32CS..Hα-helixtrans-59.5-47.5172.9178.1-106.5000111.6M443 F454 I457 I487 A490 L491 P495 S497 L498 D499 S503 R504 L505M443-F501 HydrophobicContact CE-CD2 4.4Å; M443-F501 HydrophobicContact CE-CG 4.44Å; M443-F501 HydrophobicContact SD-CB 3.73Å; M443-F501 HydrophobicContact SD-CD2 4.14Å; M443-F501 HydrophobicContact SD-CG 3.88Å; F454-F501 HydrophobicContact CD2-CD1 4.07Å; F454-F501 AromaticContact CD2-CE1 3.61Å; F454-F501 HydrophobicContact CD2-CE1 3.61Å; F454-F501 HydrophobicContact CD2-CZ 4.09Å; F454-F501 HydrophobicContact CE2-CD1 4.1Å; F454-F501 AromaticContact CE2-CE1 3.36Å; F454-F501 HydrophobicContact CE2-CE1 3.36Å; F454-F501 HydrophobicContact CE2-CE2 4.04Å; F454-F501 AromaticContact CE2-CZ 3.34Å; F454-F501 HydrophobicContact CE2-CZ 3.34Å; F454-F501 HydrophobicContact CZ-CZ 4.22Å; I457-F501 HydrophobicContact CD1-CD1 4.49Å; I457-F501 HydrophobicContact CG2-CD1 4.01Å; I457-F501 HydrophobicContact CG2-CE1 3.98Å; I487-F501 HydrophobicContact CG2-CZ 4.3Å; A490-F501 HydrophobicContact CB-CD2 3.86Å; A490-F501 HydrophobicContact CB-CE2 3.45Å; A490-F501 VanDerWaalsContact CB-CE2 3.45Å; A490-F501 HydrophobicContact CB-CZ 4.33Å; L491-F501 HydrophobicContact CD2-CD2 4.4Å; L491-F501 HydrophobicContact CD2-CE2 4.03Å; L491-F501 HydrophobicContact CG-CE2 4.09Å; P495-F501 HydrophobicContact CB-CB 4.14Å; P495-F501 HydrophobicContact CG-CB 3.79Å; P495-F501 HydrophobicContact CG-CD2 3.98Å; P495-F501 HydrophobicContact CG-CG 4.35Å; S497-F501 PolarHBondContact O-N 3.39Å; L498-F501 WeakPolarHBondContact O-CB 3.42Å; L498-F501 PolarHBondContact O-N 2.88Å; D499-F501 VanDerWaalsContact C-N 3.33Å; F501-S503 PolarHBondContact O-N 3.37Å; F501-R504 WeakPolarHBondContact O-CB 3.34Å; F501-R504 PolarHBondContact O-N 3.21Å; F501-L505 HydrophobicContact CD1-CD1 3.89Å; F501-L505 HydrophobicContact CE1-CD1 3.28Å; F501-L505 HydrophobicContact CE1-CG 4.13Å; F501-L505 HydrophobicContact CE2-CD1 4.31Å; F501-L505 HydrophobicContact CE2-CG 4.33Å; F501-L505 HydrophobicContact CZ-CD1 3.51Å; F501-L505 HydrophobicContact CZ-CD2 4.27Å; F501-L505 HydrophobicContact CZ-CG 3.99Å; F501-L505 WeakPolarHBondContact O-CG 3.3Å; F501-L505 PolarHBondContact O-N 2.86Å
502K97.6Very high95.4Very high80 Ų8063.4 Ų63.435%0.34833%0.332SS..Hα-helixtrans-59.4-45.4176.2-176179.1-178.5177.20112.4I457 L498 D499 R504 L505 Q506I457-K502 HydrophobicContact CD1-CB 4.31Å; I457-K502 HydrophobicContact CG2-CB 4.15Å; I457-K502 HydrophobicContact CG2-CG 4.3Å; L498-K502 WeakPolarHBondContact O-CB 3.38Å; L498-K502 PolarHBondContact O-N 2.87Å; D499-K502 PolarHBondContact O-N 3.06Å; K502-R504 VanDerWaalsContact C-N 3.34Å; K502-R504 PolarHBondContact O-N 3.43Å; K502-L505 PolarHBondContact O-N 3.13Å; K502-Q506 WeakPolarHBondContact O-CG 3.46Å; K502-Q506 PolarHBondContact O-N 3.41Å
503S96.6Very high95.4Very high59 Ų5959 Ų5941%0.41330%0.302SS..Hα-helixtrans-61.6-41.3176.1178.40000111.7D499 Q500 F501 L505 Q506 N507D499-S503 WeakPolarHBondContact O-CB 3.11Å; D499-S503 PolarHBondContact O-N 3.32Å; Q500-S503 PolarHBondContact O-N 2.95Å; F501-S503 PolarHBondContact O-N 3.37Å; S503-L505 PolarHBondContact O-N 2.96Å; S503-Q506 WeakPolarHBondContact O-CB 3.24Å; S503-Q506 PolarHBondContact O-N 3.32Å; S503-N507 PolarHBondContact O-N 3.19Å; S503-N507 PolarHBondContact O-ND2 2.88Å
504R95.9Very high95.3Very high108 Ų10857.6 Ų57.641%0.40829%0.291SS..Hα-helixtrans-61.6-44.8175.3-177.258.6175.7178.61.9111.9A490 Q500 F501 K502 Q506 N507 L508A490-R504 HydrophobicContact CB-CG 3.96Å; Q500-R504 WeakPolarHBondContact O-CB 3.38Å; Q500-R504 PolarHBondContact O-N 2.96Å; F501-R504 WeakPolarHBondContact O-CB 3.34Å; F501-R504 PolarHBondContact O-N 3.21Å; K502-R504 VanDerWaalsContact C-N 3.34Å; K502-R504 PolarHBondContact O-N 3.43Å; R504-Q506 VanDerWaalsContact C-N 3.28Å; R504-Q506 PolarHBondContact O-N 3.31Å; R504-N507 PolarHBondContact O-N 3.12Å; R504-N507 VanDerWaalsContact O-N 3.17Å; R504-L508 HydrophobicContact CG-CD1 4.25Å; R504-L508 PolarHBondContact O-N 2.86Å
505L96.7Very high95.2Very high5 Ų558.8 Ų58.83%0.02630%0.296CS..Hα-helixtrans-62.6-32.6176.1-73.8177.6000113.2I457 L461 Q486 A490 F501 K502 S503 N507 L508I457-L505 HydrophobicContact CG2-CD1 3.72Å; L461-L505 HydrophobicContact CD1-CB 4.37Å; L461-L505 HydrophobicContact CD2-CD1 3.89Å; L461-L505 HydrophobicContact CD2-CD2 3.66Å; L461-L505 HydrophobicContact CD2-CG 4.27Å; Q486-L505 HydrophobicContact CB-CD2 4.25Å; A490-L505 HydrophobicContact CB-CD2 3.67Å; A490-L505 HydrophobicContact CB-CG 4.14Å; F501-L505 HydrophobicContact CD1-CD1 3.89Å; F501-L505 HydrophobicContact CE1-CD1 3.28Å; F501-L505 HydrophobicContact CE1-CG 4.13Å; F501-L505 HydrophobicContact CE2-CD1 4.31Å; F501-L505 HydrophobicContact CE2-CG 4.33Å; F501-L505 HydrophobicContact CZ-CD1 3.51Å; F501-L505 HydrophobicContact CZ-CD2 4.27Å; F501-L505 HydrophobicContact CZ-CG 3.99Å; F501-L505 WeakPolarHBondContact O-CG 3.3Å; F501-L505 PolarHBondContact O-N 2.86Å; K502-L505 PolarHBondContact O-N 3.13Å; S503-L505 PolarHBondContact O-N 2.96Å; L505-N507 PolarHBondContact O-N 2.87Å; L505-L508 PolarHBondContact O-N 3.38Å
506Q92.9Very high94.9Very high112 Ų11260.4 Ų60.452%0.52330%0.304SS..Hα-helixtrans-61.1-36.1175.2-73.4173.3-6.600112.2K464 K502 S503 R504K464-Q506 PolarHBondContact NZ-O 3.29Å; K502-Q506 WeakPolarHBondContact O-CG 3.46Å; K502-Q506 PolarHBondContact O-N 3.41Å; S503-Q506 WeakPolarHBondContact O-CB 3.24Å; S503-Q506 PolarHBondContact O-N 3.32Å; R504-Q506 VanDerWaalsContact C-N 3.28Å; R504-Q506 PolarHBondContact O-N 3.31Å
507N92.6Very high94.5Very high107 Ų10759 Ų5957%0.57229%0.291SS*.Hα-helixtrans-78.5-22.3178-64.8-39.2000113.2S503 R504 L505 S509S503-N507 PolarHBondContact O-N 3.19Å; S503-N507 PolarHBondContact O-ND2 2.88Å; R504-N507 PolarHBondContact O-N 3.12Å; R504-N507 VanDerWaalsContact O-N 3.17Å; L505-N507 PolarHBondContact O-N 2.87Å; N507-S509 VanDerWaalsContact C-N 3.29Å; N507-S509 PolarHBondContact O-N 3.09Å
508L94.8Very high93.8Very high8 Ų862.3 Ų62.34%0.04230%0.304CS..SBendtrans-89.756.1176.6-67171.9000111.4Q486 R489 A490 R504 L505 I516Q486-L508 PolarHBondContact NE2-O 3.11Å; R489-L508 HydrophobicContact CB-CD1 4.24Å; A490-L508 HydrophobicContact CB-CD1 4.05Å; R504-L508 HydrophobicContact CG-CD1 4.25Å; R504-L508 PolarHBondContact O-N 2.86Å; L505-L508 PolarHBondContact O-N 3.38Å; L508-I516 HydrophobicContact CD2-CD1 4.46Å
509S94.9Very high92.9Very high20 Ų2064.8 Ų64.814%0.1432%0.322CS..  trans-62.4163.4175.372.60000112.2N507 T511 E512 I513N507-S509 VanDerWaalsContact C-N 3.29Å; N507-S509 PolarHBondContact O-N 3.09Å; S509-T511 PolarHBondContact O-N 3.4Å; S509-T511 PolarHBondContact OG-N 2.88Å; S509-T511 PolarHBondContact OG-OG1 3.4Å; S509-E512 WeakPolarHBondContact O-CB 3.4Å; S509-E512 PolarHBondContact O-N 3.31Å; S509-E512 PolarHBondContact OG-N 2.94Å; S509-I513 PolarHBondContact O-N 2.75Å
510Y95.2Very high92Very high52 Ų5262.9 Ų62.920%0.20431%0.309CS..Hα-helixtrans-54.6-40.8173.3174.7-123.2000112E468 M469 V482 E512 I513 L514E468-Y510 HydrophobicContact CB-CD1 4.46Å; E468-Y510 VanDerWaalsContact OE2-CB 3.27Å; E468-Y510 WeakPolarHBondContact OE2-CB 3.16Å; E468-Y510 PolarHBondContact OE2-N 3.24Å; M469-Y510 HydrophobicContact CB-CE1 4.39Å; M469-Y510 HydrophobicContact CE-CE2 4.11Å; M469-Y510 HydrophobicContact CG-CD1 3.66Å; M469-Y510 HydrophobicContact CG-CD2 3.62Å; M469-Y510 HydrophobicContact CG-CE1 3.7Å; M469-Y510 HydrophobicContact CG-CE2 3.65Å; M469-Y510 HydrophobicContact CG-CG 3.61Å; M469-Y510 HydrophobicContact SD-CD2 4Å; M469-Y510 HydrophobicContact SD-CE2 3.93Å; V482-Y510 HydrophobicContact CG1-CD2 4Å; V482-Y510 HydrophobicContact CG2-CD2 4.44Å; V482-Y510 HydrophobicContact CG2-CE2 4.29Å; Y510-E512 VanDerWaalsContact C-N 3.29Å; Y510-E512 PolarHBondContact O-N 2.93Å; Y510-I513 PolarHBondContact O-N 3.17Å; Y510-L514 HydrophobicContact CD1-CD1 4.13Å; Y510-L514 HydrophobicContact CD2-CG 4.2Å; Y510-L514 HydrophobicContact CE1-CD1 3.52Å; Y510-L514 HydrophobicContact CE1-CG 4.15Å; Y510-L514 HydrophobicContact CE2-CD1 4.05Å; Y510-L514 HydrophobicContact CE2-CD2 3.86Å; Y510-L514 HydrophobicContact CE2-CG 3.75Å; Y510-L514 VanDerWaalsContact CZ-CD1 3.48Å; Y510-L514 WeakPolarHBondContact O-CG 3.28Å; Y510-L514 PolarHBondContact O-N 3.16Å
511T93.8Very high90.8Very high80 Ų8064.8 Ų64.849%0.49131%0.312SS..Hα-helixtrans-63.6-35.917762.80000112.4S509 L514 K515S509-T511 PolarHBondContact O-N 3.4Å; S509-T511 PolarHBondContact OG-N 2.88Å; S509-T511 PolarHBondContact OG-OG1 3.4Å; T511-L514 PolarHBondContact O-N 3.38Å; T511-K515 WeakPolarHBondContact O-CG 3.38Å; T511-K515 PolarHBondContact O-N 3.12Å
512E94.8Very high89Confident66 Ų6669.1 Ų69.131%0.30833%0.334SS..Hα-helixtrans-71.1-42.3177.3-166.958-152.900110.8S509 Y510 L514 K515 I516S509-E512 WeakPolarHBondContact O-CB 3.4Å; S509-E512 PolarHBondContact O-N 3.31Å; S509-E512 PolarHBondContact OG-N 2.94Å; Y510-E512 VanDerWaalsContact C-N 3.29Å; Y510-E512 PolarHBondContact O-N 2.93Å; E512-L514 VanDerWaalsContact C-N 3.29Å; E512-L514 PolarHBondContact O-N 3.06Å; E512-K515 PolarHBondContact O-N 3.27Å; E512-K515 VanDerWaalsContact O-N 3.17Å; E512-K515 IonicContact OE2-NZ 3.5Å; E512-I516 HydrophobicContact CG-CD1 4.19Å; E512-I516 VanDerWaalsContact O-CG1 3.27Å; E512-I516 WeakPolarHBondContact O-CG1 3.43Å; E512-I516 PolarHBondContact O-N 3.39Å
513I94.2Very high87.3Confident0 Ų068 Ų680%033%0.332CS..Hα-helixtrans-58.3-42.6171.9-64.5-63.4000110.9V482 Q486 S509 Y510 I516 R517V482-I513 HydrophobicContact CG1-CG2 4.41Å; Q486-I513 HydrophobicContact CG-CD1 3.92Å; Q486-I513 HydrophobicContact CG-CG1 3.71Å; S509-I513 PolarHBondContact O-N 2.75Å; Y510-I513 PolarHBondContact O-N 3.17Å; I513-I516 PolarHBondContact O-N 3.48Å; I513-R517 HydrophobicContact CG2-CG 4.38Å; I513-R517 WeakPolarHBondContact O-CB 3.33Å; I513-R517 VanDerWaalsContact O-CG 3.28Å; I513-R517 WeakPolarHBondContact O-CG 3.34Å; I513-R517 PolarHBondContact O-N 3.04Å
514L90.9Very high85.4Confident54 Ų5471 Ų7128%0.28334%0.339SS..Hα-helixtrans-63.6-42175.4-74-176.9000112.5Y510 T511 E512 I516 R517 Q518Y510-L514 HydrophobicContact CD1-CD1 4.13Å; Y510-L514 HydrophobicContact CD2-CG 4.2Å; Y510-L514 HydrophobicContact CE1-CD1 3.52Å; Y510-L514 HydrophobicContact CE1-CG 4.15Å; Y510-L514 HydrophobicContact CE2-CD1 4.05Å; Y510-L514 HydrophobicContact CE2-CD2 3.86Å; Y510-L514 HydrophobicContact CE2-CG 3.75Å; Y510-L514 VanDerWaalsContact CZ-CD1 3.48Å; Y510-L514 WeakPolarHBondContact O-CG 3.28Å; Y510-L514 PolarHBondContact O-N 3.16Å; T511-L514 PolarHBondContact O-N 3.38Å; E512-L514 VanDerWaalsContact C-N 3.29Å; E512-L514 PolarHBondContact O-N 3.06Å; L514-I516 VanDerWaalsContact C-N 3.35Å; L514-R517 PolarHBondContact O-N 2.88Å; L514-Q518 WeakPolarHBondContact O-CB 3.35Å; L514-Q518 PolarHBondContact O-N 3.4Å
515K91.6Very high83.6Confident120 Ų12072.4 Ų72.452%0.52235%0.35SS..Hα-helixtrans-62.7-42.4175.5-74.7175.1-170.3170.20111.8T511 E512 Q518 S519T511-K515 WeakPolarHBondContact O-CG 3.38Å; T511-K515 PolarHBondContact O-N 3.12Å; E512-K515 PolarHBondContact O-N 3.27Å; E512-K515 VanDerWaalsContact O-N 3.17Å; E512-K515 IonicContact OE2-NZ 3.5Å; K515-Q518 PolarHBondContact O-N 3.4Å; K515-S519 VanDerWaalsContact O-CB 3.3Å; K515-S519 WeakPolarHBondContact O-CB 3.45Å; K515-S519 PolarHBondContact O-N 3.36Å
516I89.3Confident81.9Confident39 Ų3977.3 Ų77.320%0.238%0.377CS..Hα-helixtrans-60.9-52.4175.7-68.4164.7000109.3L508 E512 I513 L514 Q518 S519 E520L508-I516 HydrophobicContact CD2-CD1 4.46Å; E512-I516 HydrophobicContact CG-CD1 4.19Å; E512-I516 VanDerWaalsContact O-CG1 3.27Å; E512-I516 WeakPolarHBondContact O-CG1 3.43Å; E512-I516 PolarHBondContact O-N 3.39Å; I513-I516 PolarHBondContact O-N 3.48Å; L514-I516 VanDerWaalsContact C-N 3.35Å; I516-Q518 VanDerWaalsContact C-N 3.28Å; I516-Q518 PolarHBondContact O-N 3.14Å; I516-S519 WeakPolarHBondContact O-CB 3.37Å; I516-S519 PolarHBondContact O-N 3.09Å; I516-E520 HydrophobicContact CG2-CG 4.45Å; I516-E520 VanDerWaalsContact CG2-OE1 3.24Å; I516-E520 WeakPolarHBondContact CG2-OE1 3.47Å; I516-E520 WeakPolarHBondContact O-CB 3.1Å; I516-E520 VanDerWaalsContact O-CG 3.23Å; I516-E520 WeakPolarHBondContact O-CG 3.45Å; I516-E520 PolarHBondContact O-N 2.84Å
517R86.6Confident80.5Confident68 Ų6872.5 Ų72.526%0.25735%0.354SS..Hα-helixtrans-61.6-33.3176.8-71.5174.4179.8-176.5-1.4113.4E485 I513 L514 R521E485-R517 IonicContact OE1-NE 2.63Å; E485-R517 IonicContact OE2-CZ 2.82Å; E485-R517 IonicContact OE2-NE 3.35Å; E485-R517 PolarHBondContact OE2-NE 2.81Å; E485-R517 IonicContact OE2-NH2 2.98Å; E485-R517 PolarHBondContact OE2-NH2 3.39Å; I513-R517 HydrophobicContact CG2-CG 4.38Å; I513-R517 WeakPolarHBondContact O-CB 3.33Å; I513-R517 VanDerWaalsContact O-CG 3.28Å; I513-R517 WeakPolarHBondContact O-CG 3.34Å; I513-R517 PolarHBondContact O-N 3.04Å; L514-R517 PolarHBondContact O-N 2.88Å; R517-R521 WeakPolarHBondContact O-CB 3.28Å; R517-R521 VanDerWaalsContact O-CG 3.28Å; R517-R521 WeakPolarHBondContact O-CG 3.49Å; R517-R521 PolarHBondContact O-N 3.04Å; R517-R521 PolarHBondContact O-NE 2.99Å
518Q81.3Confident79.2Confident102 Ų10272.7 Ų72.748%0.47735%0.351SS..Hα-helixtrans-74.6-41.5177.7-178.3177.13.300110.5L514 K515 I516 E520 R521 M522L514-Q518 WeakPolarHBondContact O-CB 3.35Å; L514-Q518 PolarHBondContact O-N 3.4Å; K515-Q518 PolarHBondContact O-N 3.4Å; I516-Q518 VanDerWaalsContact C-N 3.28Å; I516-Q518 PolarHBondContact O-N 3.14Å; Q518-E520 VanDerWaalsContact C-N 3.32Å; Q518-R521 CarbonylContact O-C 3.46Å; Q518-R521 PolarHBondContact O-N 2.97Å; Q518-M522 HydrophobicContact CG-CG 3.97Å; Q518-M522 HydrophobicContact CG-SD 3.8Å; Q518-M522 WeakPolarHBondContact O-CB 3.39Å; Q518-M522 WeakPolarHBondContact O-CG 3.48Å; Q518-M522 PolarHBondContact O-N 3.34Å
519S79.3Confident78.3Confident66 Ų6674.2 Ų74.246%0.46236%0.363SS..Hα-helixtrans-58.8-47170.9-178.40000110.2K515 I516 R521 N523K515-S519 VanDerWaalsContact O-CB 3.3Å; K515-S519 WeakPolarHBondContact O-CB 3.45Å; K515-S519 PolarHBondContact O-N 3.36Å; I516-S519 WeakPolarHBondContact O-CB 3.37Å; I516-S519 PolarHBondContact O-N 3.09Å; S519-R521 VanDerWaalsContact C-N 3.3Å; S519-R521 PolarHBondContact O-N 3.2Å; S519-N523 VanDerWaalsContact O-CB 3.25Å; S519-N523 WeakPolarHBondContact O-CB 3.43Å; S519-N523 PolarHBondContact O-N 2.87Å; S519-N523 VanDerWaalsContact O-N 3.14Å; S519-N523 PolarHBondContact O-ND2 3.42Å
520E78.2Confident77.7Confident84 Ų8481.6 Ų81.639%0.39339%0.387SS..Hα-helixtrans-58.3-37.8174.9-70.5165.8176.800112.1R489 I516 Q518 Q524R489-E520 IonicContact CZ-OE1 2.6Å; R489-E520 IonicContact NH1-OE1 2.81Å; R489-E520 PolarHBondContact NH1-OE1 3.01Å; R489-E520 IonicContact NH2-OE1 2.85Å; R489-E520 PolarHBondContact NH2-OE1 3.28Å; R489-E520 IonicContact NH2-OE2 2.99Å; I516-E520 HydrophobicContact CG2-CG 4.45Å; I516-E520 VanDerWaalsContact CG2-OE1 3.24Å; I516-E520 WeakPolarHBondContact CG2-OE1 3.47Å; I516-E520 WeakPolarHBondContact O-CB 3.1Å; I516-E520 VanDerWaalsContact O-CG 3.23Å; I516-E520 WeakPolarHBondContact O-CG 3.45Å; I516-E520 PolarHBondContact O-N 2.84Å; Q518-E520 VanDerWaalsContact C-N 3.32Å; E520-Q524 WeakPolarHBondContact O-CG 3.3Å
521R70.6Confident77.1Confident130 Ų13080.9 Ų80.949%0.49139%0.389SS..Hα-helixtrans-84.9-38.6179.4-77.3-175.9-69.2165.30.5115.9R517 Q518 S519 N523 Q524 E525R517-R521 WeakPolarHBondContact O-CB 3.28Å; R517-R521 VanDerWaalsContact O-CG 3.28Å; R517-R521 WeakPolarHBondContact O-CG 3.49Å; R517-R521 PolarHBondContact O-N 3.04Å; R517-R521 PolarHBondContact O-NE 2.99Å; Q518-R521 CarbonylContact O-C 3.46Å; Q518-R521 PolarHBondContact O-N 2.97Å; S519-R521 VanDerWaalsContact C-N 3.3Å; S519-R521 PolarHBondContact O-N 3.2Å; R521-N523 PolarHBondContact O-N 2.95Å; R521-Q524 CarbonylContact O-C 3.04Å; R521-Q524 VanDerWaalsContact O-CA 3.3Å; R521-Q524 WeakPolarHBondContact O-CA 3.47Å; R521-Q524 VanDerWaalsContact O-CB 3.3Å; R521-Q524 WeakPolarHBondContact O-CB 3.43Å; R521-Q524 PolarHBondContact O-N 2.88Å; R521-E525 PolarHBondContact O-N 3.37Å
522M61.8Low76.6Confident92 Ų9277.5 Ų77.545%0.45337%0.368SS..Hα-helixtrans-63.7-37.7175.8-76.7-178.161.800109.9Q518 Q524 E525 D526Q518-M522 HydrophobicContact CG-CG 3.97Å; Q518-M522 HydrophobicContact CG-SD 3.8Å; Q518-M522 WeakPolarHBondContact O-CB 3.39Å; Q518-M522 WeakPolarHBondContact O-CG 3.48Å; Q518-M522 PolarHBondContact O-N 3.34Å; M522-Q524 PolarHBondContact O-N 3.04Å; M522-E525 PolarHBondContact O-N 2.69Å; M522-D526 PolarHBondContact O-N 3.45Å
523N60.4Low76.1Confident56 Ų5677.3 Ų77.330%0.29937%0.369SS..Hα-helixtrans-63-2.5167.2-66.9-27.7000113.8S519 R521 F527 K694S519-N523 VanDerWaalsContact O-CB 3.25Å; S519-N523 WeakPolarHBondContact O-CB 3.43Å; S519-N523 PolarHBondContact O-N 2.87Å; S519-N523 VanDerWaalsContact O-N 3.14Å; S519-N523 PolarHBondContact O-ND2 3.42Å; R521-N523 PolarHBondContact O-N 2.95Å; N523-F527 WeakPolarHBondContact O-CD2 3.34Å; N523-F527 WeakPolarHBondContact O-CE2 3.37Å; N523-K694 WeakPolarHBondContact OD1-CE 3.42Å; N523-K694 PolarHBondContact OD1-NZ 3.39Å
524Q58.3Low75.8Confident122 Ų12281.2 Ų81.257%0.5739%0.387SS*.Hα-helixtrans-114.4-35.6175.1-70.1175.8-8.100113.2E520 R521 M522 Q528E520-Q524 WeakPolarHBondContact O-CG 3.3Å; R521-Q524 CarbonylContact O-C 3.04Å; R521-Q524 VanDerWaalsContact O-CA 3.3Å; R521-Q524 WeakPolarHBondContact O-CA 3.47Å; R521-Q524 VanDerWaalsContact O-CB 3.3Å; R521-Q524 WeakPolarHBondContact O-CB 3.43Å; R521-Q524 PolarHBondContact O-N 2.88Å; M522-Q524 PolarHBondContact O-N 3.04Å; Q524-Q528 PolarHBondContact O-NE2 2.77Å
525E57.4Low75.6Confident137 Ų13781.1 Ų81.164%0.6439%0.387SS*.Hα-helixtrans-76-37.6-177.3-77-177.2177.300113.9R521 M522 F527 Q528R521-E525 PolarHBondContact O-N 3.37Å; M522-E525 PolarHBondContact O-N 2.69Å; E525-F527 PolarHBondContact O-N 2.88Å; E525-Q528 PolarHBondContact O-N 3.28Å
526D60.8Low75.4Confident109 Ų10978.3 Ų78.358%0.58337%0.373SS*.THydrogen-bonded Turntrans-60.3-14.9174.6-76.1-25.1000112.3M522 I532M522-D526 PolarHBondContact O-N 3.45Å; D526-I532 WeakPolarHBondContact O-CD1 3.45Å
527F63.1Low75.5Confident10 Ų1083 Ų834%0.04439%0.394CS..THydrogen-bonded Turntrans-94.78.1178.1-59.5-64000115.5N523 E525 I532 L533 S690 M693 K694 L697N523-F527 WeakPolarHBondContact O-CD2 3.34Å; N523-F527 WeakPolarHBondContact O-CE2 3.37Å; E525-F527 PolarHBondContact O-N 2.88Å; F527-I532 HydrophobicContact CB-CG2 4.41Å; F527-I532 HydrophobicContact CD1-CG2 4Å; F527-L533 WeakPolarHBondContact O-CD2 3.48Å; F527-S690 VanDerWaalsContact CE2-OG 3.27Å; F527-S690 WeakPolarHBondContact CE2-OG 3.41Å; F527-S690 WeakPolarHBondContact CZ-O 3.29Å; F527-M693 HydrophobicContact CD1-CB 3.64Å; F527-M693 HydrophobicContact CD1-CE 4.22Å; F527-M693 HydrophobicContact CD1-CG 4.19Å; F527-M693 HydrophobicContact CE1-CB 3.17Å; F527-M693 HydrophobicContact CE1-CG 4.18Å; F527-M693 HydrophobicContact CZ-CB 4.04Å; F527-K694 HydrophobicContact CZ-CG 3.89Å; F527-L697 HydrophobicContact CE1-CD1 4.29Å
528Q66.1Low75.7Confident111 Ų11187.4 Ų87.452%0.51942%0.415SS..  trans-103-6.1-172.1-60-63.8-34.500115.6Q524 E525 L533Q524-Q528 PolarHBondContact O-NE2 2.77Å; E525-Q528 PolarHBondContact O-N 3.28Å; Q528-L533 WeakPolarHBondContact O-CD1 3.45Å
529S76.5Confident76.2Confident41 Ų4182.8 Ų82.829%0.28739%0.393SS..SBendtrans-71148.6176.280.50000111.2I532 L533S529-I532 CarbonylContact O-C 3.59Å; S529-I532 WeakPolarHBondContact O-CA 3.35Å; S529-I532 WeakPolarHBondContact O-CB 3.45Å; S529-I532 PolarHBondContact O-N 3.22Å; S529-I532 WeakPolarHBondContact OG-CB 3.47Å; S529-I532 WeakPolarHBondContact OG-CD1 3.23Å; S529-I532 WeakPolarHBondContact OG-CG1 3.38Å; S529-L533 PolarHBondContact O-N 3.5Å
530R81Confident76.8Confident174 Ų17483.6 Ų83.666%0.65739%0.39SS*.Hα-helixtrans-54.9-47.2-173.9179.7180176.9169.15.8114.3I532 L533 E534R530-I532 PolarHBondContact O-N 3.32Å; R530-L533 PolarHBondContact O-N 2.92Å; R530-E534 HydrophobicContact CG-CG 4.49Å; R530-E534 WeakPolarHBondContact CG-OE1 3.31Å; R530-E534 IonicContact CZ-OE1 3.88Å; R530-E534 IonicContact NE-OE1 3.62Å; R530-E534 PolarHBondContact NE-OE1 2.99Å; R530-E534 IonicContact NH2-OE1 3.51Å; R530-E534 WeakPolarHBondContact O-CG 3.4Å; R530-E534 PolarHBondContact O-N 3.34Å
531P84.3Confident77.5Confident37 Ų3783.6 Ų83.624%0.2440%0.397CS..Hα-helixtrans-62.3-33.1177-2233.6000113L535 I705 P706P531-L535 WeakPolarHBondContact O-CB 3.17Å; P531-L535 PolarHBondContact O-N 2.86Å; P531-I705 HydrophobicContact CB-CG2 4.21Å; P531-I705 HydrophobicContact CG-CG2 4.16Å; P531-P706 WeakPolarHBondContact CG-O 3.48Å
532I82.5Confident78.7Confident10 Ų1082.3 Ų82.35%0.05140%0.397CS..Hα-helixtrans-74.7-37.8179.4-61.1175.2000110.5D526 F527 S529 R530 L535 R536 M693 L697 I705D526-I532 WeakPolarHBondContact O-CD1 3.45Å; F527-I532 HydrophobicContact CB-CG2 4.41Å; F527-I532 HydrophobicContact CD1-CG2 4Å; S529-I532 CarbonylContact O-C 3.59Å; S529-I532 WeakPolarHBondContact O-CA 3.35Å; S529-I532 WeakPolarHBondContact O-CB 3.45Å; S529-I532 PolarHBondContact O-N 3.22Å; S529-I532 WeakPolarHBondContact OG-CB 3.47Å; S529-I532 WeakPolarHBondContact OG-CD1 3.23Å; S529-I532 WeakPolarHBondContact OG-CG1 3.38Å; R530-I532 PolarHBondContact O-N 3.32Å; I532-L535 PolarHBondContact O-N 2.9Å; I532-R536 VanDerWaalsContact O-CB 3.25Å; I532-R536 WeakPolarHBondContact O-CB 3.37Å; I532-R536 PolarHBondContact O-N 2.98Å; I532-M693 HydrophobicContact CB-CE 4.33Å; I532-M693 HydrophobicContact CG2-CE 3.27Å; I532-M693 WeakPolarHBondContact O-CE 3.45Å; I532-L697 HydrophobicContact CD1-CD1 4.18Å; I532-L697 HydrophobicContact CG1-CD1 4.41Å; I532-L697 HydrophobicContact CG2-CD1 4.26Å; I532-I705 HydrophobicContact CD1-CD1 3.64Å; I532-I705 HydrophobicContact CG1-CD1 4.07Å
533L84.7Confident80.2Confident61 Ų6178.1 Ų78.132%0.31938%0.376SS..Hα-helixtrans-64.3-44171.7-69.8173.9000111.8F527 Q528 S529 R530 L535 R536 E537F527-L533 WeakPolarHBondContact O-CD2 3.48Å; Q528-L533 WeakPolarHBondContact O-CD1 3.45Å; S529-L533 PolarHBondContact O-N 3.5Å; R530-L533 PolarHBondContact O-N 2.92Å; L533-L535 VanDerWaalsContact C-N 3.3Å; L533-L535 PolarHBondContact O-N 3.43Å; L533-R536 WeakPolarHBondContact O-CB 3.42Å; L533-R536 PolarHBondContact O-N 3Å; L533-E537 PolarHBondContact O-N 3.36Å
534E86.7Confident81.9Confident83 Ų8378.4 Ų78.439%0.38838%0.376SS..Hα-helixtrans-62.1-37.9175.8-72.5176.1-16600111.7R530 K538R530-E534 HydrophobicContact CG-CG 4.49Å; R530-E534 WeakPolarHBondContact CG-OE1 3.31Å; R530-E534 IonicContact CZ-OE1 3.88Å; R530-E534 IonicContact NE-OE1 3.62Å; R530-E534 PolarHBondContact NE-OE1 2.99Å; R530-E534 IonicContact NH2-OE1 3.51Å; R530-E534 WeakPolarHBondContact O-CG 3.4Å; R530-E534 PolarHBondContact O-N 3.34Å; E534-K538 WeakPolarHBondContact O-CG 3.34Å; E534-K538 PolarHBondContact O-N 3.26Å
535L87.9Confident83.6Confident52 Ų5276.5 Ų76.527%0.27237%0.368SS..Hα-helixtrans-68.3-42.8173-178.261.9000111.5P531 I532 L533 E537 K538 I539 M693 R696P531-L535 WeakPolarHBondContact O-CB 3.17Å; P531-L535 PolarHBondContact O-N 2.86Å; I532-L535 PolarHBondContact O-N 2.9Å; L533-L535 VanDerWaalsContact C-N 3.3Å; L533-L535 PolarHBondContact O-N 3.43Å; L535-E537 PolarHBondContact O-N 2.8Å; L535-K538 PolarHBondContact O-N 2.78Å; L535-K538 VanDerWaalsContact O-N 3.15Å; L535-I539 HydrophobicContact CD1-CD1 3.74Å; L535-I539 HydrophobicContact CD1-CG1 4.16Å; L535-I539 HydrophobicContact CD2-CD1 4.35Å; L535-I539 HydrophobicContact CG-CD1 3.72Å; L535-I539 HydrophobicContact CG-CG1 4.44Å; L535-I539 WeakPolarHBondContact O-CG1 3.38Å; L535-I539 PolarHBondContact O-N 3.29Å; L535-M693 HydrophobicContact CB-CE 4.16Å; L535-M693 HydrophobicContact CB-SD 4.45Å; L535-M693 HydrophobicContact CD2-CE 3.9Å; L535-M693 HydrophobicContact CD2-SD 4.09Å; L535-M693 HydrophobicContact CG-CE 4.08Å; L535-M693 HydrophobicContact CG-SD 3.93Å; L535-R696 HydrophobicContact CD2-CB 4.3Å
536R87.5Confident85.5Confident60 Ų6074 Ų7423%0.22636%0.358CS..Hα-helixtrans-57.5-46.9177.5-175.6-178.9176.7156.93.3111.3I532 L533 K538 I539 Q540 D686 L689 M693I532-R536 VanDerWaalsContact O-CB 3.25Å; I532-R536 WeakPolarHBondContact O-CB 3.37Å; I532-R536 PolarHBondContact O-N 2.98Å; L533-R536 WeakPolarHBondContact O-CB 3.42Å; L533-R536 PolarHBondContact O-N 3Å; R536-K538 VanDerWaalsContact C-N 3.31Å; R536-K538 PolarHBondContact O-N 2.76Å; R536-I539 PolarHBondContact O-N 2.89Å; R536-Q540 WeakPolarHBondContact O-CB 3.42Å; R536-Q540 PolarHBondContact O-N 2.89Å; R536-D686 IonicContact NH2-OD1 3.5Å; R536-D686 PolarHBondContact NH2-OD1 2.89Å; R536-D686 VanDerWaalsContact NH2-OD1 3.08Å; R536-L689 HydrophobicContact CG-CD1 4.06Å; R536-L689 HydrophobicContact CG-CD2 3.51Å; R536-L689 HydrophobicContact CG-CG 3.87Å; R536-L689 VanDerWaalsContact NE-CD2 3.29Å; R536-M693 HydrophobicContact CB-CE 4.33Å; R536-M693 HydrophobicContact CB-SD 4.21Å
537E90Very high87.1Confident137 Ų13768.9 Ų68.964%0.6433%0.331SS*.Hα-helixtrans-62.2-36176.9-74.1-17717400112.6L533 L535 P541L533-E537 PolarHBondContact O-N 3.36Å; L535-E537 PolarHBondContact O-N 2.8Å; E537-P541 WeakPolarHBondContact O-CD 3.48Å
538K90.9Very high88.7Confident162 Ų16271.3 Ų71.370%0.70434%0.341SS*.Hα-helixtrans-71.8-33.6177.5-73.8175-177.2174.20113.2E534 L535 R536 P541E534-K538 WeakPolarHBondContact O-CG 3.34Å; E534-K538 PolarHBondContact O-N 3.26Å; L535-K538 PolarHBondContact O-N 2.78Å; L535-K538 VanDerWaalsContact O-N 3.15Å; R536-K538 VanDerWaalsContact C-N 3.31Å; R536-K538 PolarHBondContact O-N 2.76Å; K538-P541 WeakPolarHBondContact O-CD 3.35Å
539I91.3Very high90.1Very high4 Ų470.5 Ų70.52%0.02134%0.338CS..Hα-helixtrans-84-28.8-178.5-68.1175000111.5L535 R536 P541 E542 I543 L689 E692 M693 R696L535-I539 HydrophobicContact CD1-CD1 3.74Å; L535-I539 HydrophobicContact CD1-CG1 4.16Å; L535-I539 HydrophobicContact CD2-CD1 4.35Å; L535-I539 HydrophobicContact CG-CD1 3.72Å; L535-I539 HydrophobicContact CG-CG1 4.44Å; L535-I539 WeakPolarHBondContact O-CG1 3.38Å; L535-I539 PolarHBondContact O-N 3.29Å; R536-I539 PolarHBondContact O-N 2.89Å; I539-P541 VanDerWaalsContact C-CD 3.45Å; I539-P541 VanDerWaalsContact C-N 3.35Å; I539-E542 WeakPolarHBondContact O-CB 3.44Å; I539-E542 PolarHBondContact O-N 3.04Å; I539-I543 HydrophobicContact CG2-CD1 4.14Å; I539-I543 HydrophobicContact CG2-CG1 3.67Å; I539-I543 PolarHBondContact O-N 3.39Å; I539-I543 VanDerWaalsContact O-N 3.13Å; I539-L689 HydrophobicContact CB-CD1 4.14Å; I539-L689 HydrophobicContact CG2-CD1 3.77Å; I539-E692 HydrophobicContact CD1-CG 4.47Å; I539-E692 HydrophobicContact CG2-CG 3.87Å; I539-M693 HydrophobicContact CD1-SD 3.8Å; I539-R696 HydrophobicContact CD1-CG 4.04Å
540Q92.3Very high91Very high83 Ų8372 Ų7239%0.38834%0.34SS..Hα-helixtrans-51-41.3-176.2-174.5175.3-5.300114.9R536 E542 I543 M544 M685R536-Q540 WeakPolarHBondContact O-CB 3.42Å; R536-Q540 PolarHBondContact O-N 2.89Å; Q540-E542 PolarHBondContact O-N 3.11Å; Q540-I543 PolarHBondContact O-N 2.71Å; Q540-M544 WeakPolarHBondContact O-CB 3.49Å; Q540-M544 PolarHBondContact O-N 2.97Å; Q540-M685 HydrophobicContact CG-CE 3.91Å; Q540-M685 HydrophobicContact CG-SD 3.88Å
541P94.3Very high91.7Very high85 Ų8563.9 Ų63.955%0.55231%0.309SS*.Hα-helixtrans-63.9-37.2175.9-22.534.5000113.6E537 K538 I539 M544 E545E537-P541 WeakPolarHBondContact O-CD 3.48Å; K538-P541 WeakPolarHBondContact O-CD 3.35Å; I539-P541 VanDerWaalsContact C-CD 3.45Å; I539-P541 VanDerWaalsContact C-N 3.35Å; P541-M544 PolarHBondContact O-N 3.3Å; P541-E545 PolarHBondContact O-N 3.19Å
542E94.3Very high92.3Very high103 Ų10362.8 Ų62.848%0.48130%0.301SS..Hα-helixtrans-65.1-45.9177.2-176-177.9-179.300110.5I539 Q540 M544 E545 L546 R696I539-E542 WeakPolarHBondContact O-CB 3.44Å; I539-E542 PolarHBondContact O-N 3.04Å; Q540-E542 PolarHBondContact O-N 3.11Å; E542-M544 VanDerWaalsContact C-N 3.33Å; E542-M544 PolarHBondContact O-N 3.4Å; E542-E545 PolarHBondContact O-N 2.99Å; E542-L546 PolarHBondContact O-N 2.98Å; E542-R696 IonicContact OE2-NH2 3.93Å
543I94.7Very high92.9Very high4 Ų466.5 Ų66.52%0.02132%0.321CS..Hα-helixtrans-63.9-39.4175.8-58.1-59.9000111.3I539 Q540 E545 L546 I547 M685 L688 L689 E692I539-I543 HydrophobicContact CG2-CD1 4.14Å; I539-I543 HydrophobicContact CG2-CG1 3.67Å; I539-I543 PolarHBondContact O-N 3.39Å; I539-I543 VanDerWaalsContact O-N 3.13Å; Q540-I543 PolarHBondContact O-N 2.71Å; I543-E545 VanDerWaalsContact C-N 3.31Å; I543-E545 PolarHBondContact O-N 3.34Å; I543-L546 HydrophobicContact CD1-CD1 4.19Å; I543-L546 WeakPolarHBondContact O-CB 3.44Å; I543-L546 PolarHBondContact O-N 3.33Å; I543-I547 HydrophobicContact CG2-CD1 4.14Å; I543-I547 WeakPolarHBondContact O-CG1 3.46Å; I543-I547 PolarHBondContact O-N 3.47Å; I543-M685 HydrophobicContact CB-CE 4.34Å; I543-M685 HydrophobicContact CB-SD 4Å; I543-M685 HydrophobicContact CG2-CE 4.19Å; I543-M685 HydrophobicContact CG2-SD 3.65Å; I543-L688 HydrophobicContact CG2-CB 3.63Å; I543-L688 HydrophobicContact CG2-CD1 4.29Å; I543-L689 HydrophobicContact CG1-CD1 4.11Å; I543-E692 HydrophobicContact CD1-CB 3.94Å; I543-E692 HydrophobicContact CD1-CG 4.16Å
544M95.2Very high93.3Very high61 Ų6166.9 Ų66.930%0.332%0.319SS..Hα-helixtrans-64.2-38.8177.4-167.758.983.900111.5Q540 P541 E542 L546 I547 K548 M676 T681 M685Q540-M544 WeakPolarHBondContact O-CB 3.49Å; Q540-M544 PolarHBondContact O-N 2.97Å; P541-M544 PolarHBondContact O-N 3.3Å; E542-M544 VanDerWaalsContact C-N 3.33Å; E542-M544 PolarHBondContact O-N 3.4Å; M544-L546 VanDerWaalsContact C-N 3.34Å; M544-I547 PolarHBondContact O-N 3.17Å; M544-K548 VanDerWaalsContact O-CB 3.31Å; M544-K548 WeakPolarHBondContact O-CB 3.41Å; M544-K548 PolarHBondContact O-N 3.29Å; M544-M676 HydrophobicContact CG-CE 4.15Å; M544-M676 HydrophobicContact SD-CE 3.4Å; M544-M676 WeakPolarHBondContact SD-CE 3.49Å; M544-T681 HydrophobicContact CE-CG2 4.29Å; M544-T681 HydrophobicContact SD-CG2 4.04Å; M544-M685 HydrophobicContact CB-CE 3.59Å; M544-M685 HydrophobicContact CE-CE 3.27Å; M544-M685 HydrophobicContact CG-CE 4.2Å; M544-M685 HydrophobicContact SD-CE 3.74Å
545E95Very high93.7Very high83 Ų8362.9 Ų62.939%0.38830%0.3SS..Hα-helixtrans-67.2-35.8176-169.460-152.500111.4P541 E542 I543 K548 Q549P541-E545 PolarHBondContact O-N 3.19Å; E542-E545 PolarHBondContact O-N 2.99Å; I543-E545 VanDerWaalsContact C-N 3.31Å; I543-E545 PolarHBondContact O-N 3.34Å; E545-K548 WeakPolarHBondContact O-CB 3.37Å; E545-K548 PolarHBondContact O-N 2.6Å; E545-K548 IonicContact OE1-NZ 3.34Å; E545-K548 IonicContact OE2-NZ 2.58Å; E545-K548 PolarHBondContact OE2-NZ 3.28Å; E545-Q549 VanDerWaalsContact O-CG 3.29Å; E545-Q549 WeakPolarHBondContact O-CG 3.42Å; E545-Q549 PolarHBondContact O-N 2.85Å
546L95.8Very high94Very high83 Ų8361.2 Ų61.244%0.43529%0.292SS..Hα-helixtrans-63.1-45.9171.9-72.2170.1000112.2E542 I543 M544 K548 Q549 Q550E542-L546 PolarHBondContact O-N 2.98Å; I543-L546 HydrophobicContact CD1-CD1 4.19Å; I543-L546 WeakPolarHBondContact O-CB 3.44Å; I543-L546 PolarHBondContact O-N 3.33Å; M544-L546 VanDerWaalsContact C-N 3.34Å; L546-K548 VanDerWaalsContact C-N 3.3Å; L546-K548 PolarHBondContact O-N 3.4Å; L546-Q549 PolarHBondContact O-N 3.19Å; L546-Q550 PolarHBondContact O-N 3.09Å
547I95.8Very high94.2Very high3 Ų361.7 Ų61.72%0.01530%0.297CS..Hα-helixtrans-60.7-44.8175.7-66166.8000109.7I543 M544 Q549 Q550 R551 M676 T681 D684 M685 L688I543-I547 HydrophobicContact CG2-CD1 4.14Å; I543-I547 WeakPolarHBondContact O-CG1 3.46Å; I543-I547 PolarHBondContact O-N 3.47Å; M544-I547 PolarHBondContact O-N 3.17Å; I547-Q549 PolarHBondContact O-N 3.15Å; I547-Q550 WeakPolarHBondContact O-CB 3.49Å; I547-Q550 PolarHBondContact O-N 3.45Å; I547-Q550 VanDerWaalsContact O-N 3.13Å; I547-R551 HydrophobicContact CG2-CG 4.38Å; I547-R551 WeakPolarHBondContact O-CG 3.4Å; I547-R551 PolarHBondContact O-N 3.31Å; I547-M676 HydrophobicContact CB-CE 4.33Å; I547-M676 HydrophobicContact CG2-CE 3.91Å; I547-T681 HydrophobicContact CG2-CG2 4.29Å; I547-D684 HydrophobicContact CD1-CB 3.9Å; I547-D684 HydrophobicContact CG1-CB 4.18Å; I547-M685 HydrophobicContact CD1-CB 3.93Å; I547-M685 HydrophobicContact CD1-CE 4.2Å; I547-L688 HydrophobicContact CD1-CD1 4.29Å; I547-L688 HydrophobicContact CG1-CD1 3.73Å
548K96.4Very high94.2Very high61 Ų6155.6 Ų55.627%0.26527%0.271SS..Hα-helixtrans-58.5-46.2176.4169.5168.6169.5-147.30111.9M544 E545 L546 Q550 R551 L552 A670 M676M544-K548 VanDerWaalsContact O-CB 3.31Å; M544-K548 WeakPolarHBondContact O-CB 3.41Å; M544-K548 PolarHBondContact O-N 3.29Å; E545-K548 WeakPolarHBondContact O-CB 3.37Å; E545-K548 PolarHBondContact O-N 2.6Å; E545-K548 IonicContact OE1-NZ 3.34Å; E545-K548 IonicContact OE2-NZ 2.58Å; E545-K548 PolarHBondContact OE2-NZ 3.28Å; L546-K548 VanDerWaalsContact C-N 3.3Å; L546-K548 PolarHBondContact O-N 3.4Å; K548-Q550 VanDerWaalsContact C-N 3.3Å; K548-Q550 PolarHBondContact O-N 3.15Å; K548-R551 PolarHBondContact O-N 3.27Å; K548-L552 HydrophobicContact CG-CD1 4.14Å; K548-L552 HydrophobicContact CG-CG 4.5Å; K548-L552 VanDerWaalsContact O-CG 3.28Å; K548-L552 WeakPolarHBondContact O-CG 3.35Å; K548-L552 PolarHBondContact O-N 3.21Å; K548-A670 HydrophobicContact CD-CB 4.02Å; K548-A670 HydrophobicContact CG-CB 3.85Å; K548-M676 HydrophobicContact CB-CE 3.94Å; K548-M676 HydrophobicContact CB-SD 4.41Å
549Q95.3Very high94.2Very high94 Ų9448.4 Ų48.444%0.43924%0.241SC..Hα-helixtrans-59.3-42174.9-74.2173.4900111.5E545 L546 I547 L552 N553E545-Q549 VanDerWaalsContact O-CG 3.29Å; E545-Q549 WeakPolarHBondContact O-CG 3.42Å; E545-Q549 PolarHBondContact O-N 2.85Å; L546-Q549 PolarHBondContact O-N 3.19Å; I547-Q549 PolarHBondContact O-N 3.15Å; Q549-L552 PolarHBondContact O-N 3.02Å; Q549-N553 WeakPolarHBondContact O-CB 3.38Å; Q549-N553 PolarHBondContact O-N 2.99Å; Q549-N553 PolarHBondContact O-ND2 3.36Å; Q549-N553 PolarHBondContact O-OD1 3.43Å
550Q95.4Very high94Very high73 Ų7349.7 Ų49.734%0.34125%0.25SC..Hα-helixtrans-62-44.5175.3-172.2-81.9-10.400111.8L546 I547 K548 L552 N553 R554L546-Q550 PolarHBondContact O-N 3.09Å; I547-Q550 WeakPolarHBondContact O-CB 3.49Å; I547-Q550 PolarHBondContact O-N 3.45Å; I547-Q550 VanDerWaalsContact O-N 3.13Å; K548-Q550 VanDerWaalsContact C-N 3.3Å; K548-Q550 PolarHBondContact O-N 3.15Å; Q550-L552 PolarHBondContact O-N 2.94Å; Q550-N553 PolarHBondContact O-N 3.12Å; Q550-R554 VanDerWaalsContact NE2-CG 3.35Å; Q550-R554 WeakPolarHBondContact O-CG 3.46Å; Q550-R554 PolarHBondContact O-N 3.19Å
551R95.9Very high93.6Very high2 Ų245.7 Ų45.71%0.00823%0.231CC..Hα-helixtrans-61.6-44.1176.7-63.4-57.3-175-100.5-4.6111.4I547 K548 N553 R554 L555 D666 M676 T681 D684I547-R551 HydrophobicContact CG2-CG 4.38Å; I547-R551 WeakPolarHBondContact O-CG 3.4Å; I547-R551 PolarHBondContact O-N 3.31Å; K548-R551 PolarHBondContact O-N 3.27Å; R551-N553 VanDerWaalsContact C-N 3.34Å; R551-N553 PolarHBondContact O-N 2.81Å; R551-R554 PolarHBondContact O-N 3.33Å; R551-L555 WeakPolarHBondContact O-CG 3.31Å; R551-L555 PolarHBondContact O-N 2.94Å; R551-D666 HydrophobicContact CG-CB 4.43Å; R551-M676 HydrophobicContact CG-SD 3.95Å; R551-T681 PolarHBondContact NH2-OG1 3.36Å; R551-T681 VanDerWaalsContact NH2-OG1 3.1Å; R551-D684 IonicContact CZ-OD2 2.63Å; R551-D684 VanDerWaalsContact CZ-OD2 3.24Å; R551-D684 IonicContact NH1-OD2 2.9Å; R551-D684 PolarHBondContact NH1-OD2 2.95Å; R551-D684 IonicContact NH2-OD2 2.72Å; R551-D684 PolarHBondContact NH2-OD2 3.43Å
552L96.1Very high92.6Very high14 Ų1445.4 Ų45.47%0.07322%0.219CC..Hα-helixtrans-61.7-42.1176.4-67.8175.5000111.8K548 Q549 Q550 R554 L555 C556 L578 L671K548-L552 HydrophobicContact CG-CD1 4.14Å; K548-L552 HydrophobicContact CG-CG 4.5Å; K548-L552 VanDerWaalsContact O-CG 3.28Å; K548-L552 WeakPolarHBondContact O-CG 3.35Å; K548-L552 PolarHBondContact O-N 3.21Å; Q549-L552 PolarHBondContact O-N 3.02Å; Q550-L552 PolarHBondContact O-N 2.94Å; L552-R554 VanDerWaalsContact C-N 3.35Å; L552-R554 PolarHBondContact O-N 3.06Å; L552-L555 WeakPolarHBondContact O-CB 3.43Å; L552-L555 PolarHBondContact O-N 3.06Å; L552-C556 PolarHBondContact O-N 2.81Å; L552-L578 HydrophobicContact CD2-CD2 4.35Å; L552-L671 HydrophobicContact CD2-CD1 4.43Å; L552-L671 HydrophobicContact CD2-CD2 3.36Å; L552-L671 HydrophobicContact CD2-CG 3.51Å
553N95Very high91.5Very high88 Ų8844.5 Ų44.547%0.47121%0.214SC..Hα-helixtrans-62-42.1175-68.5-18.5000111.6Q549 Q550 R551 C556 E557Q549-N553 WeakPolarHBondContact O-CB 3.38Å; Q549-N553 PolarHBondContact O-N 2.99Å; Q549-N553 PolarHBondContact O-ND2 3.36Å; Q549-N553 PolarHBondContact O-OD1 3.43Å; Q550-N553 PolarHBondContact O-N 3.12Å; R551-N553 VanDerWaalsContact C-N 3.34Å; R551-N553 PolarHBondContact O-N 2.81Å; N553-C556 CarbonylContact O-C 3.5Å; N553-C556 WeakPolarHBondContact O-CA 3.27Å; N553-C556 WeakPolarHBondContact O-CB 3.42Å; N553-C556 PolarHBondContact O-N 2.73Å; N553-E557 WeakPolarHBondContact O-CG 3.29Å; N553-E557 PolarHBondContact O-N 3Å
554R94.1Very high89.9Confident69 Ų6948.1 Ų48.126%0.2623%0.232SC..Hα-helixtrans-63.7-40.6175.1-70.4-62.4-61.4178.2-3.9112.8Q550 R551 L552 C556 E557 G558 E660 V663Q550-R554 VanDerWaalsContact NE2-CG 3.35Å; Q550-R554 WeakPolarHBondContact O-CG 3.46Å; Q550-R554 PolarHBondContact O-N 3.19Å; R551-R554 PolarHBondContact O-N 3.33Å; L552-R554 VanDerWaalsContact C-N 3.35Å; L552-R554 PolarHBondContact O-N 3.06Å; R554-C556 VanDerWaalsContact C-N 3.25Å; R554-C556 PolarHBondContact O-N 3.39Å; R554-E557 WeakPolarHBondContact CD-OE2 3.5Å; R554-E557 IonicContact CZ-OE2 3.94Å; R554-E557 IonicContact NE-OE2 2.79Å; R554-E557 IonicContact NH1-OE2 3.22Å; R554-E557 PolarHBondContact NH1-OE2 3.15Å; R554-E557 PolarHBondContact O-N 3.22Å; R554-G558 PolarHBondContact O-N 3.34Å; R554-E660 IonicContact NH2-OE1 3.23Å; R554-E660 PolarHBondContact NH2-OE1 3.47Å; R554-V663 HydrophobicContact CB-CG1 3.61Å; R554-V663 HydrophobicContact CG-CG1 4.15Å
555L95.1Very high87.7Confident0 Ų048.9 Ų48.90%024%0.244CC..Hα-helixtrans-60.7-39.4170.5-66.5-170.8000111R551 L552 G558 R577 L578 W664 L671R551-L555 WeakPolarHBondContact O-CG 3.31Å; R551-L555 PolarHBondContact O-N 2.94Å; L552-L555 WeakPolarHBondContact O-CB 3.43Å; L552-L555 PolarHBondContact O-N 3.06Å; L555-G558 PolarHBondContact O-N 3.1Å; L555-R577 CarbonylContact O-C 3.44Å; L555-R577 WeakPolarHBondContact O-CA 3.42Å; L555-L578 HydrophobicContact CB-CB 3.81Å; L555-L578 HydrophobicContact CB-CD2 3.98Å; L555-L578 HydrophobicContact CD1-CD2 4.34Å; L555-L578 PolarHBondContact O-N 3.16Å; L555-W664 HydrophobicContact CD2-CB 4.5Å; L555-W664 HydrophobicContact CD2-CD2 3.37Å; L555-W664 HydrophobicContact CD2-CE3 3.33Å; L555-W664 HydrophobicContact CD2-CG 3.97Å; L555-W664 HydrophobicContact CD2-CH2 3.94Å; L555-W664 HydrophobicContact CD2-CZ2 3.98Å; L555-W664 HydrophobicContact CD2-CZ3 3.63Å; L555-L671 HydrophobicContact CD1-CD1 3.59Å; L555-L671 HydrophobicContact CD1-CG 4.28Å
556C93.9Very high85.1Confident16 Ų1650.6 Ų50.611%0.10827%0.265CS..Hα-helixtrans-67.5-37.9177.7-80.20000113.7L552 N553 R554 R577 L578 H582L552-C556 PolarHBondContact O-N 2.81Å; N553-C556 CarbonylContact O-C 3.5Å; N553-C556 WeakPolarHBondContact O-CA 3.27Å; N553-C556 WeakPolarHBondContact O-CB 3.42Å; N553-C556 PolarHBondContact O-N 2.73Å; R554-C556 VanDerWaalsContact C-N 3.25Å; R554-C556 PolarHBondContact O-N 3.39Å; C556-R577 PolarHBondContact O-NE 3.04Å; C556-R577 PolarHBondContact O-NH2 3.21Å; C556-L578 VanDerWaalsContact CA-O 3.3Å; C556-L578 WeakPolarHBondContact CA-O 3.33Å; C556-L578 PolarHBondContact SG-O 2.84Å; C556-L578 VanDerWaalsContact SG-O 3.34Å; C556-H582 VanDerWaalsContact SG-CD2 3.57Å
557E91.4Very high82.6Confident70 Ų7052.5 Ų52.533%0.32727%0.266SS..Hα-helixtrans-58.6-53.4169.9-71.3167.7-157.800109N553 R554 Y575N553-E557 WeakPolarHBondContact O-CG 3.29Å; N553-E557 PolarHBondContact O-N 3Å; R554-E557 WeakPolarHBondContact CD-OE2 3.5Å; R554-E557 IonicContact CZ-OE2 3.94Å; R554-E557 IonicContact NE-OE2 2.79Å; R554-E557 IonicContact NH1-OE2 3.22Å; R554-E557 PolarHBondContact NH1-OE2 3.15Å; R554-E557 PolarHBondContact O-N 3.22Å; E557-Y575 PolarHBondContact O-OH 3.34Å
558G90.4Very high80.2Confident10 Ų1057.5 Ų57.510%0.10329%0.285CS..  trans97.2160.5176.700000113.7R554 L555 Y575 C576R554-G558 PolarHBondContact O-N 3.34Å; L555-G558 PolarHBondContact O-N 3.1Å; G558-Y575 VanDerWaalsContact C-CZ 3.49Å; G558-Y575 VanDerWaalsContact C-OH 3.29Å; G558-Y575 WeakPolarHBondContact CA-OH 3.16Å; G558-Y575 PolarHBondContact O-OH 3.17Å; G558-Y575 VanDerWaalsContact O-OH 3.1Å; G558-C576 CarbonylContact C-O 3.55Å; G558-C576 WeakPolarHBondContact CA-O 3.4Å
559T89.9Confident77.7Confident10 Ų1056.8 Ų56.86%0.06128%0.28CS..EExtended strand (participates in β ladder)trans-133.1146-174.7-59.90000110.7F561 Y575 C576 P656 E660 W664T559-F561 HydrophobicContact CG2-CE1 4.27Å; T559-F561 HydrophobicContact CG2-CE2 4.12Å; T559-F561 HydrophobicContact CG2-CZ 3.99Å; T559-F561 VanDerWaalsContact O-CD2 3.25Å; T559-F561 WeakPolarHBondContact O-CD2 3.36Å; T559-F561 WeakPolarHBondContact O-CE2 3.32Å; T559-Y575 WeakPolarHBondContact O-CA 3.5Å; T559-Y575 WeakPolarHBondContact O-CD2 3.31Å; T559-C576 PolarHBondContact N-O 3.39Å; T559-C576 PolarHBondContact O-N 3.42Å; T559-P656 HydrophobicContact CG2-CG 4.18Å; T559-E660 HydrophobicContact CG2-CG 4.17Å; T559-E660 WeakPolarHBondContact CG2-OE2 3.43Å; T559-E660 PolarHBondContact OG1-OE2 3.32Å; T559-W664 PolarHBondContact OG1-NE1 3.45Å
560C86.8Confident75.3Confident31 Ų3157.4 Ų57.421%0.20928%0.283CS..EExtended strand (participates in β ladder)trans-87.6124.1173.5-1640000109.4F573 Y575C560-F573 WeakPolarHBondContact SG-CB 3.41Å; C560-F573 WeakPolarHBondContact SG-CD1 3.4Å; C560-F573 VanDerWaalsContact SG-CG 3.54Å; C560-Y575 HydrophobicContact CB-CD2 4.06Å; C560-Y575 HydrophobicContact CB-CE2 4.49Å
561F84.9Confident72.9Confident0 Ų056.4 Ų56.40%028%0.28CS..EExtended strand (participates in β ladder)trans-116.9144.4-177.5-66-83.2000110.4T559 F573 W574 C576 F641 F653 I654 W664T559-F561 HydrophobicContact CG2-CE1 4.27Å; T559-F561 HydrophobicContact CG2-CE2 4.12Å; T559-F561 HydrophobicContact CG2-CZ 3.99Å; T559-F561 VanDerWaalsContact O-CD2 3.25Å; T559-F561 WeakPolarHBondContact O-CD2 3.36Å; T559-F561 WeakPolarHBondContact O-CE2 3.32Å; F561-F573 CarbonylContact O-C 3.59Å; F561-F573 VanDerWaalsContact O-CA 3.25Å; F561-F573 WeakPolarHBondContact O-CA 3.38Å; F561-W574 HydrophobicContact CB-CD2 4.38Å; F561-W574 HydrophobicContact CB-CG 4.33Å; F561-W574 HydrophobicContact CB-CZ2 4.27Å; F561-W574 HydrophobicContact CD2-CZ2 4.34Å; F561-W574 HydrophobicContact CG-CZ2 4.35Å; F561-W574 PolarHBondContact N-O 3.24Å; F561-W574 VanDerWaalsContact O-CD1 3.26Å; F561-W574 PolarHBondContact O-N 3.21Å; F561-C576 HydrophobicContact CD2-CB 4.16Å; F561-C576 HydrophobicContact CE2-CB 3.87Å; F561-F641 HydrophobicContact CE1-CE1 4.18Å; F561-F641 AromaticContact CE1-CZ 3.97Å; F561-F641 HydrophobicContact CE1-CZ 3.97Å; F561-F641 HydrophobicContact CZ-CZ 4.25Å; F561-F653 HydrophobicContact CD1-CB 4.46Å; F561-F653 AromaticContact CD1-CD1 3.9Å; F561-F653 HydrophobicContact CD1-CD1 3.9Å; F561-F653 HydrophobicContact CD2-CD1 4.02Å; F561-F653 HydrophobicContact CD2-CE1 4.24Å; F561-F653 HydrophobicContact CE1-CB 4.46Å; F561-F653 AromaticContact CE1-CD1 3.69Å; F561-F653 HydrophobicContact CE1-CD1 3.69Å; F561-F653 HydrophobicContact CE1-CE1 4.49Å; F561-F653 AromaticContact CE2-CD1 3.82Å; F561-F653 HydrophobicContact CE2-CD1 3.82Å; F561-F653 AromaticContact CE2-CE1 3.87Å; F561-F653 HydrophobicContact CE2-CE1 3.87Å; F561-F653 HydrophobicContact CG-CD1 4.05Å; F561-F653 AromaticContact CZ-CD1 3.63Å; F561-F653 HydrophobicContact CZ-CD1 3.63Å; F561-F653 AromaticContact CZ-CE1 3.99Å; F561-F653 HydrophobicContact CZ-CE1 3.99Å; F561-I654 WeakPolarHBondContact CD1-O 3.43Å; F561-W664 HydrophobicContact CE2-CD2 4.33Å; F561-W664 AromaticContact CE2-CE2 3.85Å; F561-W664 HydrophobicContact CE2-CH2 4.22Å; F561-W664 AromaticContact CE2-CZ2 3.8Å; F561-W664 HydrophobicContact CE2-CZ2 3.8Å; F561-W664 AromaticContact CZ-CD1 3.81Å; F561-W664 AromaticContact CZ-CD2 3.63Å; F561-W664 HydrophobicContact CZ-CD2 3.63Å; F561-W664 AromaticContact CZ-CE2 3.44Å; F561-W664 VanDerWaalsContact CZ-CE2 3.44Å; F561-W664 HydrophobicContact CZ-CE3 4.22Å; F561-W664 AromaticContact CZ-CG 3.9Å; F561-W664 HydrophobicContact CZ-CG 3.9Å; F561-W664 HydrophobicContact CZ-CH2 4.45Å; F561-W664 AromaticContact CZ-CZ2 3.89Å; F561-W664 HydrophobicContact CZ-CZ2 3.89Å; F561-W664 AromaticContact CZ-NE1 3.55Å
562R73.2Confident71.2Confident79 Ų7959.3 Ų59.330%0.29829%0.293SS..EExtended strand (participates in β ladder)trans-78.5132.9174-158.6176.4-169.31747109.4E435 N436 D571E435-R562 PolarHBondContact O-NH1 3.49Å; E435-R562 VanDerWaalsContact O-NH1 3.08Å; N436-R562 PolarHBondContact OD1-NH1 3.42Å; R562-D571 IonicContact CZ-OD1 2.78Å; R562-D571 IonicContact NE-OD1 3.84Å; R562-D571 PolarHBondContact NE-OD1 3.22Å; R562-D571 IonicContact NH2-OD1 2.64Å; R562-D571 PolarHBondContact NH2-OD1 2.95Å; R562-D571 IonicContact NH2-OD2 2.9Å
563K70.9Confident70.1Confident83 Ų8361 Ų6136%0.36130%0.3SS..  trans-67.9140.5169.4-83.6-167.6173.7-173.30111.1S565 K572 W574 D589K563-S565 VanDerWaalsContact C-N 3.35Å; K563-S565 PolarHBondContact O-N 3.42Å; K563-K572 HydrophobicContact CB-CB 4.31Å; K563-K572 WeakPolarHBondContact CB-O 3.36Å; K563-K572 HydrophobicContact CD-CB 4.08Å; K563-K572 HydrophobicContact CG-CB 4.41Å; K563-K572 VanDerWaalsContact CG-O 3.28Å; K563-K572 WeakPolarHBondContact CG-O 3.37Å; K563-K572 PolarHBondContact N-O 2.77Å; K563-W574 HydrophobicContact CG-CB 4.46Å; K563-W574 HydrophobicContact CG-CG 4.35Å; K563-D589 WeakPolarHBondContact CE-OD1 3.22Å; K563-D589 IonicContact NZ-OD1 3.63Å; K563-D589 PolarHBondContact NZ-OD1 3.19Å; K563-D589 IonicContact NZ-OD2 2.65Å; K563-D589 PolarHBondContact NZ-OD2 3.33Å
564I60.3Low69.5Low80 Ų8057.5 Ų57.541%0.4128%0.28SS..  trans-7490.2173.2-44.1-173.7000107.7H623 N652 I654I564-H623 HydrophobicContact CD1-CB 3.96Å; I564-H623 WeakPolarHBondContact CD1-CD2 3.31Å; I564-N652 HydrophobicContact CD1-CB 4.16Å; I564-I654 HydrophobicContact CB-CD1 4.41Å; I564-I654 HydrophobicContact CD1-CD1 3.73Å; I564-I654 HydrophobicContact CD1-CG1 3.79Å; I564-I654 HydrophobicContact CG1-CD1 3.54Å; I564-I654 HydrophobicContact CG1-CG1 3.9Å; I564-I654 HydrophobicContact CG2-CD1 4.36Å
565S50.2Low69.3Low78 Ų7854.8 Ų54.855%0.54527%0.27SS..  trans-108.1133170.9178.40000109K563 R567K563-S565 VanDerWaalsContact C-N 3.35Å; K563-S565 PolarHBondContact O-N 3.42Å; S565-R567 WeakPolarHBondContact CB-O 3.45Å; S565-R567 PolarHBondContact O-N 3.49Å; S565-R567 PolarHBondContact OG-N 3.28Å; S565-R567 VanDerWaalsContact OG-N 3.13Å; S565-R567 PolarHBondContact OG-O 2.84Å
566S39.5Very low69.1Low118 Ų11854.8 Ų54.883%0.82527%0.27SS*.SBendtrans-74.62.2171.4102.70000112.7
567R44.9Very low69.1Low124 Ų12455.2 Ų55.247%0.46827%0.269SS..SBendtrans-144.7145.1-170.2-61.7-173.1176.2157.2-13.3111.8D167 H168 G169 S565 R569D167-R567 WeakPolarHBondContact O-CD 3.23Å; H168-R567 PolarHBondContact O-NH1 3.49Å; G169-R567 VanDerWaalsContact CA-CZ 3.44Å; G169-R567 VanDerWaalsContact CA-NH1 3.25Å; G169-R567 PolarHBondContact O-NH1 3.26Å; G169-R567 PolarHBondContact O-NH2 3.2Å; G169-R567 VanDerWaalsContact O-NH2 3.08Å; S565-R567 WeakPolarHBondContact CB-O 3.45Å; S565-R567 PolarHBondContact O-N 3.49Å; S565-R567 PolarHBondContact OG-N 3.28Å; S565-R567 VanDerWaalsContact OG-N 3.13Å; S565-R567 PolarHBondContact OG-O 2.84Å; R567-R569 PolarHBondContact O-N 2.84Å
568R45Very low69.3Low107 Ų10751.9 Ų51.940%0.40425%0.254SS..  trans-58.798.8169.7-74.6175.6173.7-146.6-17.3109.8D167 E206D167-R568 WeakPolarHBondContact CB-O 3.43Å; E206-R568 VanDerWaalsContact CD-NH2 3.28Å; E206-R568 IonicContact OE1-CZ 2.93Å; E206-R568 VanDerWaalsContact OE1-CZ 3.32Å; E206-R568 IonicContact OE1-NH1 2.74Å; E206-R568 PolarHBondContact OE1-NH1 3.01Å; E206-R568 IonicContact OE1-NH2 3.16Å; E206-R568 PolarHBondContact OE1-NH2 3.14Å; E206-R568 IonicContact OE2-CZ 2.72Å; E206-R568 IonicContact OE2-NH1 2.98Å; E206-R568 PolarHBondContact OE2-NH1 3.2Å; E206-R568 IonicContact OE2-NH2 3.46Å
569R43.6Very low69.4Low47 Ų4751.8 Ų51.818%0.17725%0.251CS..SBendtrans-131.7150.5134-88-170.3-165.6168.40.2106.9S111 R112 E164 D167 H168 R567S111-R569 PolarHBondContact O-NH2 3.23Å; R112-R569 VanDerWaalsContact CA-NH1 3.33Å; R112-R569 PolarHBondContact O-NH1 3.03Å; E164-R569 VanDerWaalsContact CB-NH2 3.33Å; E164-R569 PolarHBondContact O-NH2 3.39Å; E164-R569 WeakPolarHBondContact OE2-CD 3.22Å; E164-R569 IonicContact OE2-CZ 3.7Å; E164-R569 IonicContact OE2-NE 3.82Å; E164-R569 PolarHBondContact OE2-NE 3.05Å; E164-R569 IonicContact OE2-NH1 2.62Å; E164-R569 PolarHBondContact OE2-NH1 3.22Å; E164-R569 IonicContact OE2-NH2 3.66Å; E164-R569 PolarHBondContact OE2-NH2 2.85Å; E164-R569 VanDerWaalsContact OE2-NH2 3.16Å; D167-R569 HydrophobicContact CB-CG 3.59Å; D167-R569 WeakPolarHBondContact OD2-CG 3.43Å; D167-R569 IonicContact OD2-NE 2.99Å; D167-R569 PolarHBondContact OD2-NE 3.46Å; H168-R569 PolarHBondContact CD2-NH2 3.45Å; H168-R569 VanDerWaalsContact CD2-NH2 3.32Å; H168-R569 PolarHBondContact CE1-NH2 3.38Å; H168-R569 PolarHBondContact NE2-NH2 2.92Å; R567-R569 PolarHBondContact O-N 2.84Å
570Q44Very low69.4Low106 Ų10656.1 Ų56.150%0.49528%0.28SS..SBendtrans8.6115.4158.1-69.4169.7-12.400111.1K572Q570-K572 WeakPolarHBondContact O-CA 3.08Å; Q570-K572 PolarHBondContact O-N 3.25Å
571D45.2Very low69.7Low52 Ų5259.3 Ų59.328%0.27829%0.294SS..  trans-4591.9171.5-71.8-36.7000109.5R562 F573R562-D571 IonicContact CZ-OD1 2.78Å; R562-D571 IonicContact NE-OD1 3.84Å; R562-D571 PolarHBondContact NE-OD1 3.22Å; R562-D571 IonicContact NH2-OD1 2.64Å; R562-D571 PolarHBondContact NH2-OD1 2.95Å; R562-D571 IonicContact NH2-OD2 2.9Å; D571-F573 HydrophobicContact CB-CD2 3.8Å; D571-F573 HydrophobicContact CB-CE1 4.13Å; D571-F573 HydrophobicContact CB-CE2 3.22Å; D571-F573 HydrophobicContact CB-CG 4.47Å; D571-F573 HydrophobicContact CB-CZ 3.4Å; D571-F573 VanDerWaalsContact CB-CZ 3.4Å; D571-F573 WeakPolarHBondContact O-CD2 3.49Å; D571-F573 PolarHBondContact O-N 3.36Å
572K60.9Low70.2Confident64 Ų6462.4 Ų62.428%0.27831%0.309SS..  trans-78.888.5178.1-85-166.5176.2-170.60101.2K563 Q570K563-K572 HydrophobicContact CB-CB 4.31Å; K563-K572 WeakPolarHBondContact CB-O 3.36Å; K563-K572 HydrophobicContact CD-CB 4.08Å; K563-K572 HydrophobicContact CG-CB 4.41Å; K563-K572 VanDerWaalsContact CG-O 3.28Å; K563-K572 WeakPolarHBondContact CG-O 3.37Å; K563-K572 PolarHBondContact N-O 2.77Å; Q570-K572 WeakPolarHBondContact O-CA 3.08Å; Q570-K572 PolarHBondContact O-N 3.25Å
573F72.7Confident71.2Confident49 Ų4965.3 Ų65.322%0.21532%0.324CS..EExtended strand (participates in β ladder)trans-66.9144170.5-70-68000107.2C560 F561 D571 L590C560-F573 WeakPolarHBondContact SG-CB 3.41Å; C560-F573 WeakPolarHBondContact SG-CD1 3.4Å; C560-F573 VanDerWaalsContact SG-CG 3.54Å; F561-F573 CarbonylContact O-C 3.59Å; F561-F573 VanDerWaalsContact O-CA 3.25Å; F561-F573 WeakPolarHBondContact O-CA 3.38Å; D571-F573 HydrophobicContact CB-CD2 3.8Å; D571-F573 HydrophobicContact CB-CE1 4.13Å; D571-F573 HydrophobicContact CB-CE2 3.22Å; D571-F573 HydrophobicContact CB-CG 4.47Å; D571-F573 HydrophobicContact CB-CZ 3.4Å; D571-F573 VanDerWaalsContact CB-CZ 3.4Å; D571-F573 WeakPolarHBondContact O-CD2 3.49Å; D571-F573 PolarHBondContact O-N 3.36Å; F573-L590 HydrophobicContact CB-CB 4.2Å; F573-L590 PolarHBondContact O-N 2.82Å
574W83.4Confident72.3Confident14 Ų1463 Ų635%0.05332%0.317CS..EExtended strand (participates in β ladder)trans-127.3141164.673.1-72000106.8F561 K563 C576 Y587 G588 L651 N652 F653F561-W574 HydrophobicContact CB-CD2 4.38Å; F561-W574 HydrophobicContact CB-CG 4.33Å; F561-W574 HydrophobicContact CB-CZ2 4.27Å; F561-W574 HydrophobicContact CD2-CZ2 4.34Å; F561-W574 HydrophobicContact CG-CZ2 4.35Å; F561-W574 PolarHBondContact N-O 3.24Å; F561-W574 VanDerWaalsContact O-CD1 3.26Å; F561-W574 PolarHBondContact O-N 3.21Å; K563-W574 HydrophobicContact CG-CB 4.46Å; K563-W574 HydrophobicContact CG-CG 4.35Å; W574-C576 HydrophobicContact CE3-CB 4.39Å; W574-C576 HydrophobicContact CH2-CB 4.21Å; W574-C576 HydrophobicContact CZ3-CB 3.85Å; W574-Y587 AromaticContact CE3-CD2 3.98Å; W574-Y587 HydrophobicContact CE3-CD2 3.98Å; W574-Y587 HydrophobicContact CE3-CG 4.28Å; W574-Y587 AromaticContact CZ3-CD2 3.72Å; W574-Y587 HydrophobicContact CZ3-CD2 3.72Å; W574-Y587 AromaticContact CZ3-CG 3.81Å; W574-Y587 HydrophobicContact CZ3-CG 3.81Å; W574-G588 CarbonylContact C-O 3.52Å; W574-G588 WeakPolarHBondContact CA-O 3.41Å; W574-G588 WeakPolarHBondContact CB-O 3.14Å; W574-L651 HydrophobicContact CH2-CD1 3.65Å; W574-L651 HydrophobicContact CH2-CD2 3.84Å; W574-L651 HydrophobicContact CH2-CG 3.65Å; W574-L651 HydrophobicContact CZ3-CD1 3.83Å; W574-L651 HydrophobicContact CZ3-CD2 4.07Å; W574-L651 HydrophobicContact CZ3-CG 4.17Å; W574-N652 VanDerWaalsContact CZ2-O 3.28Å; W574-N652 WeakPolarHBondContact CZ2-O 3.4Å; W574-F653 AromaticContact CH2-CD1 3.64Å; W574-F653 HydrophobicContact CH2-CD1 3.64Å; W574-F653 HydrophobicContact CH2-CD2 4.45Å; W574-F653 AromaticContact CH2-CE1 3.21Å; W574-F653 HydrophobicContact CH2-CE1 3.21Å; W574-F653 HydrophobicContact CH2-CE2 4.07Å; W574-F653 HydrophobicContact CH2-CG 4.26Å; W574-F653 AromaticContact CH2-CZ 3.45Å; W574-F653 HydrophobicContact CH2-CZ 3.45Å; W574-F653 VanDerWaalsContact CH2-CZ 3.45Å; W574-F653 AromaticContact CZ2-CD1 3.41Å; W574-F653 HydrophobicContact CZ2-CD1 3.41Å; W574-F653 VanDerWaalsContact CZ2-CD1 3.41Å; W574-F653 HydrophobicContact CZ2-CD2 4.43Å; W574-F653 AromaticContact CZ2-CE1 3.53Å; W574-F653 HydrophobicContact CZ2-CE1 3.53Å; W574-F653 HydrophobicContact CZ2-CE2 4.49Å; W574-F653 AromaticContact CZ2-CG 3.92Å; W574-F653 HydrophobicContact CZ2-CG 3.92Å; W574-F653 HydrophobicContact CZ2-CZ 4.09Å; W574-F653 HydrophobicContact CZ3-CE1 4.23Å; W574-F653 HydrophobicContact CZ3-CZ 4.45Å
575Y88.2Confident74Confident13 Ų1359.2 Ų59.25%0.05130%0.297CS..EExtended strand (participates in β ladder)trans-104.2139.3-176.1-164.3-94.1000108.6E557 G558 T559 C560 R577 Y587 G588 L590 P594 V598 L603E557-Y575 PolarHBondContact O-OH 3.34Å; G558-Y575 VanDerWaalsContact C-CZ 3.49Å; G558-Y575 VanDerWaalsContact C-OH 3.29Å; G558-Y575 WeakPolarHBondContact CA-OH 3.16Å; G558-Y575 PolarHBondContact O-OH 3.17Å; G558-Y575 VanDerWaalsContact O-OH 3.1Å; T559-Y575 WeakPolarHBondContact O-CA 3.5Å; T559-Y575 WeakPolarHBondContact O-CD2 3.31Å; C560-Y575 HydrophobicContact CB-CD2 4.06Å; C560-Y575 HydrophobicContact CB-CE2 4.49Å; Y575-R577 HydrophobicContact CD1-CB 4.47Å; Y575-R577 HydrophobicContact CE1-CB 3.93Å; Y575-R577 HydrophobicContact CE1-CG 4.35Å; Y575-Y587 CarbonylContact O-C 3.54Å; Y575-Y587 WeakPolarHBondContact O-CA 3.12Å; Y575-Y587 VanDerWaalsContact O-CB 3.31Å; Y575-Y587 WeakPolarHBondContact O-CB 3.45Å; Y575-G588 PolarHBondContact N-O 2.86Å; Y575-G588 PolarHBondContact O-N 3.36Å; Y575-L590 HydrophobicContact CD2-CD1 4.17Å; Y575-L590 HydrophobicContact CG-CD1 4.34Å; Y575-P594 HydrophobicContact CD2-CG 4.37Å; Y575-V598 HydrophobicContact CD1-CB 3.84Å; Y575-V598 HydrophobicContact CD1-CG1 4.35Å; Y575-V598 HydrophobicContact CD1-CG2 4.24Å; Y575-V598 HydrophobicContact CD2-CB 4.46Å; Y575-V598 HydrophobicContact CD2-CG2 3.98Å; Y575-V598 HydrophobicContact CE1-CB 3.81Å; Y575-V598 HydrophobicContact CE1-CG2 4.31Å; Y575-V598 HydrophobicContact CE2-CB 4.49Å; Y575-V598 HydrophobicContact CE2-CG2 4.1Å; Y575-V598 HydrophobicContact CG-CB 4.14Å; Y575-V598 HydrophobicContact CG-CG2 4.05Å; Y575-L603 HydrophobicContact CD1-CD1 3.94Å; Y575-L603 HydrophobicContact CD1-CD2 4.18Å
576C92.3Very high76Confident0 Ų056.4 Ų56.40%028%0.275CS..EExtended strand (participates in β ladder)trans-130.7134.6172.6-171.50000109.4G558 T559 F561 W574 H586 F653 W664G558-C576 CarbonylContact C-O 3.55Å; G558-C576 WeakPolarHBondContact CA-O 3.4Å; T559-C576 PolarHBondContact N-O 3.39Å; T559-C576 PolarHBondContact O-N 3.42Å; F561-C576 HydrophobicContact CD2-CB 4.16Å; F561-C576 HydrophobicContact CE2-CB 3.87Å; W574-C576 HydrophobicContact CE3-CB 4.39Å; W574-C576 HydrophobicContact CH2-CB 4.21Å; W574-C576 HydrophobicContact CZ3-CB 3.85Å; C576-H586 CarbonylContact C-O 3.6Å; C576-H586 WeakPolarHBondContact CA-O 3.44Å; C576-F653 HydrophobicContact CB-CE1 4.05Å; C576-W664 HydrophobicContact CB-CH2 3.85Å; C576-W664 HydrophobicContact CB-CZ3 4.39Å; C576-W664 VanDerWaalsContact O-CH2 3.28Å; C576-W664 WeakPolarHBondContact O-CH2 3.49Å; C576-W664 VanDerWaalsContact O-CZ2 3.27Å; C576-W664 WeakPolarHBondContact O-CZ2 3.39Å
577R93.3Very high78.4Confident25 Ų2552 Ų529%0.09424%0.241CC..EExtended strand (participates in β ladder)trans-143.615517476.1-178-63.9171.23.3111.7L555 C556 Y575 L585 H586 E597 V598 L603L555-R577 CarbonylContact O-C 3.44Å; L555-R577 WeakPolarHBondContact O-CA 3.42Å; C556-R577 PolarHBondContact O-NE 3.04Å; C556-R577 PolarHBondContact O-NH2 3.21Å; Y575-R577 HydrophobicContact CD1-CB 4.47Å; Y575-R577 HydrophobicContact CE1-CB 3.93Å; Y575-R577 HydrophobicContact CE1-CG 4.35Å; R577-L585 CarbonylContact O-C 3.53Å; R577-L585 WeakPolarHBondContact O-CA 3.19Å; R577-H586 HydrophobicContact CG-CB 4.22Å; R577-H586 PolarHBondContact N-O 2.86Å; R577-H586 PolarHBondContact O-N 3.3Å; R577-E597 IonicContact NH1-OE2 2.74Å; R577-E597 IonicContact NH2-OE2 3.17Å; R577-E597 PolarHBondContact NH2-OE2 3.32Å; R577-V598 WeakPolarHBondContact CD-O 3.41Å; R577-V598 PolarHBondContact NH1-O 2.88Å; R577-L603 HydrophobicContact CG-CD1 3.72Å
578L95.2Very high80.4Confident0 Ų046.2 Ų46.20%022%0.22CC..EExtended strand (participates in β ladder)trans-91136.9175.4-177.470.6000110.5L552 L555 C556 H582 L585 V609 L671L552-L578 HydrophobicContact CD2-CD2 4.35Å; L555-L578 HydrophobicContact CB-CB 3.81Å; L555-L578 HydrophobicContact CB-CD2 3.98Å; L555-L578 HydrophobicContact CD1-CD2 4.34Å; L555-L578 PolarHBondContact O-N 3.16Å; C556-L578 VanDerWaalsContact CA-O 3.3Å; C556-L578 WeakPolarHBondContact CA-O 3.33Å; C556-L578 PolarHBondContact SG-O 2.84Å; C556-L578 VanDerWaalsContact SG-O 3.34Å; L578-H582 HydrophobicContact CD2-CB 4.04Å; L578-H582 VanDerWaalsContact CD2-CD2 3.43Å; L578-H582 WeakPolarHBondContact CD2-CD2 3.17Å; L578-L585 HydrophobicContact CB-CD2 4.06Å; L578-L585 HydrophobicContact CD1-CD2 3.87Å; L578-L585 HydrophobicContact CD1-CG 4.31Å; L578-V609 HydrophobicContact CD1-CG2 3.81Å; L578-L671 HydrophobicContact CD1-CD1 3.98Å; L578-L671 HydrophobicContact CD2-CD1 3.93Å; L578-L671 HydrophobicContact CD2-CD2 3.94Å; L578-L671 HydrophobicContact CD2-CG 4.41Å
579S92.9Very high82.1Confident8 Ų845.1 Ų45.16%0.05622%0.222CC..  trans-58.2144.1170.658.70000110.9N581 H582 K583 V584S579-N581 PolarHBondContact O-N 3.47Å; S579-N581 PolarHBondContact OG-OD1 2.92Å; S579-H582 WeakPolarHBondContact O-CA 3.35Å; S579-H582 PolarHBondContact O-N 3.49Å; S579-K583 PolarHBondContact OG-N 2.91Å; S579-V584 WeakPolarHBondContact CB-O 3.41Å; S579-V584 PolarHBondContact N-O 3.31Å; S579-V584 PolarHBondContact OG-N 3.2Å; S579-V584 PolarHBondContact OG-O 2.97Å; S579-V584 VanDerWaalsContact OG-O 3.07Å
580P90.8Very high83.3Confident101 Ų10144.3 Ų44.366%0.65622%0.221SC*.THydrogen-bonded Turntrans-57.4-18.7-179.1-27.735000115.9H582P580-H582 VanDerWaalsContact C-N 3.31Å
581N93.2Very high83.9Confident97 Ų9744.8 Ų44.852%0.51922%0.223SC..THydrogen-bonded Turntrans-88.62.517567.912.8000113.5S579 K583S579-N581 PolarHBondContact O-N 3.47Å; S579-N581 PolarHBondContact OG-OD1 2.92Å; N581-K583 VanDerWaalsContact C-N 3.28Å; N581-K583 WeakPolarHBondContact O-CG 3.26Å; N581-K583 PolarHBondContact O-N 3.22Å; N581-K583 WeakPolarHBondContact OD1-CB 3.21Å; N581-K583 PolarHBondContact OD1-N 3.09Å
582H95.1Very high84.4Confident65 Ų6550.1 Ų50.130%0.30125%0.246SC..SBendtrans6125-178.8-51151.1000115.5C556 L578 S579 P580 L671C556-H582 VanDerWaalsContact SG-CD2 3.57Å; L578-H582 HydrophobicContact CD2-CB 4.04Å; L578-H582 VanDerWaalsContact CD2-CD2 3.43Å; L578-H582 WeakPolarHBondContact CD2-CD2 3.17Å; S579-H582 WeakPolarHBondContact O-CA 3.35Å; S579-H582 PolarHBondContact O-N 3.49Å; P580-H582 VanDerWaalsContact C-N 3.31Å; H582-L671 HydrophobicContact CB-CD2 3.85Å
583K94.5Very high84.1Confident141 Ų14150.7 Ų50.761%0.61326%0.259SS*.SBendtrans-107.5-18.6-175.2-62.1-174.6-179.5-177.30115.2S579 N581 V609S579-K583 PolarHBondContact OG-N 2.91Å; N581-K583 VanDerWaalsContact C-N 3.28Å; N581-K583 WeakPolarHBondContact O-CG 3.26Å; N581-K583 PolarHBondContact O-N 3.22Å; N581-K583 WeakPolarHBondContact OD1-CB 3.21Å; N581-K583 PolarHBondContact OD1-N 3.09Å; K583-V609 PolarHBondContact O-N 3.18Å
584V94.1Very high83.5Confident35 Ų3550.6 Ų50.621%0.21226%0.263CS..EExtended strand (participates in β ladder)trans-140.1127.9-174.9-175.30000110.1S579 K606 L607S579-V584 WeakPolarHBondContact CB-O 3.41Å; S579-V584 PolarHBondContact N-O 3.31Å; S579-V584 PolarHBondContact OG-N 3.2Å; S579-V584 PolarHBondContact OG-O 2.97Å; S579-V584 VanDerWaalsContact OG-O 3.07Å; V584-K606 HydrophobicContact CG1-CB 3.81Å; V584-K606 HydrophobicContact CG1-CG 4.2Å; V584-L607 CarbonylContact C-O 3.44Å; V584-L607 WeakPolarHBondContact CA-O 3.41Å
585L94.6Very high82Confident0 Ų059.8 Ų59.80%031%0.306CS..EExtended strand (participates in β ladder)trans-82.8122.1163.9-71.7171.8000108.6R577 L578 K606 L607 I612 W664 L668R577-L585 CarbonylContact O-C 3.53Å; R577-L585 WeakPolarHBondContact O-CA 3.19Å; L578-L585 HydrophobicContact CB-CD2 4.06Å; L578-L585 HydrophobicContact CD1-CD2 3.87Å; L578-L585 HydrophobicContact CD1-CG 4.31Å; L585-K606 CarbonylContact O-C 3.54Å; L585-K606 VanDerWaalsContact O-CA 3.32Å; L585-K606 WeakPolarHBondContact O-CA 3.4Å; L585-L607 HydrophobicContact CB-CB 4.29Å; L585-L607 HydrophobicContact CD1-CD2 4.36Å; L585-L607 PolarHBondContact N-O 3.2Å; L585-L607 PolarHBondContact O-N 3.13Å; L585-I612 HydrophobicContact CD1-CD1 3.85Å; L585-W664 HydrophobicContact CD2-CZ3 4.29Å; L585-L668 HydrophobicContact CD1-CD2 4.12Å
586H92.2Very high80.8Confident18 Ų1861.6 Ų61.68%0.08333%0.329CS..EExtended strand (participates in β ladder)trans-97.7132.7172.7-67.5-101000108.8C576 R577 L603 D605C576-H586 CarbonylContact C-O 3.6Å; C576-H586 WeakPolarHBondContact CA-O 3.44Å; R577-H586 HydrophobicContact CG-CB 4.22Å; R577-H586 PolarHBondContact N-O 2.86Å; R577-H586 PolarHBondContact O-N 3.3Å; H586-L603 HydrophobicContact CB-CB 4.04Å; H586-L603 HydrophobicContact CB-CD1 3.74Å; H586-D605 WeakPolarHBondContact CA-O 3.45Å
587Y90.9Very high79.4Confident26 Ų2667.6 Ų67.610%0.10236%0.357CS..EExtended strand (participates in β ladder)trans-148.8164.717863.9-82.2000113.3W574 Y575 Q604 D605 L607 L651W574-Y587 AromaticContact CE3-CD2 3.98Å; W574-Y587 HydrophobicContact CE3-CD2 3.98Å; W574-Y587 HydrophobicContact CE3-CG 4.28Å; W574-Y587 AromaticContact CZ3-CD2 3.72Å; W574-Y587 HydrophobicContact CZ3-CD2 3.72Å; W574-Y587 AromaticContact CZ3-CG 3.81Å; W574-Y587 HydrophobicContact CZ3-CG 3.81Å; Y575-Y587 CarbonylContact O-C 3.54Å; Y575-Y587 WeakPolarHBondContact O-CA 3.12Å; Y575-Y587 VanDerWaalsContact O-CB 3.31Å; Y575-Y587 WeakPolarHBondContact O-CB 3.45Å; Y587-Q604 PolarHBondContact O-N 3.4Å; Y587-D605 HydrophobicContact CD1-CB 3.95Å; Y587-D605 HydrophobicContact CD2-CB 3.61Å; Y587-D605 HydrophobicContact CE1-CB 3.67Å; Y587-D605 HydrophobicContact CE2-CB 3.31Å; Y587-D605 HydrophobicContact CG-CB 3.92Å; Y587-D605 PolarHBondContact N-O 3.14Å; Y587-D605 WeakPolarHBondContact O-CA 3.42Å; Y587-D605 WeakPolarHBondContact O-CB 3.35Å; Y587-D605 PolarHBondContact O-N 3.4Å; Y587-L607 HydrophobicContact CE1-CB 4.01Å; Y587-L651 HydrophobicContact CD1-CD2 4.17Å; Y587-L651 HydrophobicContact CD2-CD1 4.15Å; Y587-L651 HydrophobicContact CE1-CD2 4.2Å; Y587-L651 HydrophobicContact CE2-CD1 3.85Å; Y587-L651 HydrophobicContact CG-CD2 4.41Å
588G85.4Confident78.6Confident3 Ų366.9 Ų66.93%0.03136%0.356CS..EExtended strand (participates in β ladder)trans173167.6177.800000112.8W574 Y575W574-G588 CarbonylContact C-O 3.52Å; W574-G588 WeakPolarHBondContact CA-O 3.41Å; W574-G588 WeakPolarHBondContact CB-O 3.14Å; Y575-G588 PolarHBondContact N-O 2.86Å; Y575-G588 PolarHBondContact O-N 3.36Å
589D81.7Confident77.7Confident83 Ų8370.6 Ų70.644%0.44438%0.38SS..EExtended strand (participates in β ladder)trans-74.6144.6180-68.30.9000111.8K563K563-D589 WeakPolarHBondContact CE-OD1 3.22Å; K563-D589 IonicContact NZ-OD1 3.63Å; K563-D589 PolarHBondContact NZ-OD1 3.19Å; K563-D589 IonicContact NZ-OD2 2.65Å; K563-D589 PolarHBondContact NZ-OD2 3.33Å
590L69.3Low76.6Confident30 Ų3074 Ų7416%0.15739%0.394CS..EExtended strand (participates in β ladder)trans-115.5136.9170.2-62.4-176.7000109.5F573 Y575 P594 V598F573-L590 HydrophobicContact CB-CB 4.2Å; F573-L590 PolarHBondContact O-N 2.82Å; Y575-L590 HydrophobicContact CD2-CD1 4.17Å; Y575-L590 HydrophobicContact CG-CD1 4.34Å; L590-P594 HydrophobicContact CD1-CB 4.15Å; L590-P594 HydrophobicContact CD1-CG 3.59Å; L590-V598 HydrophobicContact CD1-CG2 4.24Å; L590-V598 HydrophobicContact CD2-CG1 4.37Å; L590-V598 HydrophobicContact CD2-CG2 4.38Å
591E55.3Low75.6Confident117 Ų11775.5 Ų75.555%0.54740%0.397SS..SBendtrans-81.6-24.9174.4-67.5-153.9135.400112.8R112R112-E591 IonicContact CZ-OE1 3.43Å; R112-E591 IonicContact NH1-OE1 3.82Å; R112-E591 PolarHBondContact NH1-OE1 3.39Å; R112-E591 IonicContact NH2-OE1 2.62Å; R112-E591 PolarHBondContact NH2-OE1 3.01Å
592E56.6Low74.7Confident163 Ų16374.1 Ų74.176%0.76240%0.395SS*.SBendtrans-137.5159.5176.8-71.8-174.9170.500111.1
593S55.3Low74Confident77 Ų7771.3 Ų71.354%0.53838%0.382SS..  trans-63125.5173.261.40000110Q595S593-Q595 PolarHBondContact O-N 3.11Å
594P59.3Low73.2Confident46 Ų4671.2 Ų71.230%0.29938%0.384SS..  trans-74126.7-172.628.4-31.2000110.3Y575 L590 G596 V598Y575-P594 HydrophobicContact CD2-CG 4.37Å; L590-P594 HydrophobicContact CD1-CB 4.15Å; L590-P594 HydrophobicContact CD1-CG 3.59Å; P594-G596 PolarHBondContact O-N 3.4Å; P594-V598 HydrophobicContact CB-CG2 3.57Å; P594-V598 HydrophobicContact CG-CG2 3.91Å
595Q51.4Low72.8Confident207 Ų20771.5 Ų71.597%0.96738%0.384SS*.SBendtrans-82.667.5168.7-68.5174.4-0.500109.7S593S593-Q595 PolarHBondContact O-N 3.11Å
596G63Low72.6Confident51 Ų5177.6 Ų77.653%0.52641%0.41SS..SBendtrans130.8-171.2177.300000114.6P594P594-G596 PolarHBondContact O-N 3.4Å
597E64.3Low72.6Confident126 Ų12676.9 Ų76.959%0.58941%0.407SS*.PPolyproline II helixtrans-67.4131.1177.7-82.1-166-162.100111.9R577 P599R577-E597 IonicContact NH1-OE2 2.74Å; R577-E597 IonicContact NH2-OE2 3.17Å; R577-E597 PolarHBondContact NH2-OE2 3.32Å; E597-P599 WeakPolarHBondContact O-CD 3.4Å
598V76Confident72.7Confident11 Ų1178.1 Ų78.17%0.06742%0.419CS..PPolyproline II helixtrans-87.4118.5174.9-179.50000109.3Y575 R577 L590 P594 S602 L603Y575-V598 HydrophobicContact CD1-CB 3.84Å; Y575-V598 HydrophobicContact CD1-CG1 4.35Å; Y575-V598 HydrophobicContact CD1-CG2 4.24Å; Y575-V598 HydrophobicContact CD2-CB 4.46Å; Y575-V598 HydrophobicContact CD2-CG2 3.98Å; Y575-V598 HydrophobicContact CE1-CB 3.81Å; Y575-V598 HydrophobicContact CE1-CG2 4.31Å; Y575-V598 HydrophobicContact CE2-CB 4.49Å; Y575-V598 HydrophobicContact CE2-CG2 4.1Å; Y575-V598 HydrophobicContact CG-CB 4.14Å; Y575-V598 HydrophobicContact CG-CG2 4.05Å; R577-V598 WeakPolarHBondContact CD-O 3.41Å; R577-V598 PolarHBondContact NH1-O 2.88Å; L590-V598 HydrophobicContact CD1-CG2 4.24Å; L590-V598 HydrophobicContact CD2-CG1 4.37Å; L590-V598 HydrophobicContact CD2-CG2 4.38Å; P594-V598 HydrophobicContact CB-CG2 3.57Å; P594-V598 HydrophobicContact CG-CG2 3.91Å; V598-S602 VanDerWaalsContact CG1-OG 3.3Å; V598-S602 WeakPolarHBondContact CG1-OG 3.39Å; V598-L603 HydrophobicContact CG1-CD2 3.92Å; V598-L603 HydrophobicContact CG1-CG 4.22Å
599P75.7Confident73.1Confident78 Ų7878.8 Ų78.851%0.50642%0.422SS..PPolyproline II helixtrans-57.3148.1179.7-25.434.7000113.2E597 D601 S602E597-P599 WeakPolarHBondContact O-CD 3.4Å; P599-D601 PolarHBondContact O-N 3.42Å; P599-S602 PolarHBondContact O-N 3.02Å; P599-S602 PolarHBondContact O-OG 3.46Å
600H69.2Low73.6Confident79 Ų7979.4 Ų79.437%0.36644%0.439SS..G310 helixtrans-62.1-25.3178.455.267.3000113.5
601D70.8Confident74.7Confident133 Ų13381.1 Ų81.171%0.71145%0.448SS*.G310 helixtrans-79.4-19.6-178.4-67.7-25.4000113.5P599 L603P599-D601 PolarHBondContact O-N 3.42Å; D601-L603 VanDerWaalsContact C-N 3.32Å
602S74Confident76.5Confident67 Ų6776.2 Ų76.247%0.46943%0.426SS..G310 helixtrans-82.1-11.7173.746.70000113.3V598 P599V598-S602 VanDerWaalsContact CG1-OG 3.3Å; V598-S602 WeakPolarHBondContact CG1-OG 3.39Å; P599-S602 PolarHBondContact O-N 3.02Å; P599-S602 PolarHBondContact O-OG 3.46Å
603L81Confident78.1Confident6 Ų674.4 Ų74.43%0.03142%0.415CS..  trans-91.2118179.2-60.7173.6000109.5Y575 R577 H586 V598 D601Y575-L603 HydrophobicContact CD1-CD1 3.94Å; Y575-L603 HydrophobicContact CD1-CD2 4.18Å; R577-L603 HydrophobicContact CG-CD1 3.72Å; H586-L603 HydrophobicContact CB-CB 4.04Å; H586-L603 HydrophobicContact CB-CD1 3.74Å; V598-L603 HydrophobicContact CG1-CD2 3.92Å; V598-L603 HydrophobicContact CG1-CG 4.22Å; D601-L603 VanDerWaalsContact C-N 3.32Å
604Q77.6Confident79.9Confident140 Ų14072 Ų7265%0.65440%0.399SS*.  trans-78.9-26.1-166.4-51-175.121.200112.5Y587Y587-Q604 PolarHBondContact O-N 3.4Å
605D85.4Confident81.5Confident41 Ų4170.8 Ų70.822%0.21939%0.391CS..EExtended strand (participates in β ladder)trans-107.5148.5-173.4-56.9-45.9000112.4K70 H586 Y587K70-D605 IonicContact NZ-OD1 3.73Å; K70-D605 PolarHBondContact NZ-OD1 2.78Å; H586-D605 WeakPolarHBondContact CA-O 3.45Å; Y587-D605 HydrophobicContact CD1-CB 3.95Å; Y587-D605 HydrophobicContact CD2-CB 3.61Å; Y587-D605 HydrophobicContact CE1-CB 3.67Å; Y587-D605 HydrophobicContact CE2-CB 3.31Å; Y587-D605 HydrophobicContact CG-CB 3.92Å; Y587-D605 PolarHBondContact N-O 3.14Å; Y587-D605 WeakPolarHBondContact O-CA 3.42Å; Y587-D605 WeakPolarHBondContact O-CB 3.35Å; Y587-D605 PolarHBondContact O-N 3.4Å
606K90.4Very high83.5Confident127 Ų12762.9 Ų62.955%0.55236%0.355SS*.EExtended strand (participates in β ladder)trans-139.7130.4-175.4-64.4-179.7-170.8178.80109.7V584 L585V584-K606 HydrophobicContact CG1-CB 3.81Å; V584-K606 HydrophobicContact CG1-CG 4.2Å; L585-K606 CarbonylContact O-C 3.54Å; L585-K606 VanDerWaalsContact O-CA 3.32Å; L585-K606 WeakPolarHBondContact O-CA 3.4Å
607L91.9Very high84.9Confident3 Ų363 Ų632%0.01635%0.346CS..EExtended strand (participates in β ladder)trans-121.6111.6172.9171.960.1000109V584 L585 Y587 V609 D611 I612 V643 Y645 L651V584-L607 CarbonylContact C-O 3.44Å; V584-L607 WeakPolarHBondContact CA-O 3.41Å; L585-L607 HydrophobicContact CB-CB 4.29Å; L585-L607 HydrophobicContact CD1-CD2 4.36Å; L585-L607 PolarHBondContact N-O 3.2Å; L585-L607 PolarHBondContact O-N 3.13Å; Y587-L607 HydrophobicContact CE1-CB 4.01Å; L607-V609 PolarHBondContact O-N 3.36Å; L607-D611 HydrophobicContact CD1-CB 4.46Å; L607-I612 HydrophobicContact CD2-CD1 4.37Å; L607-I612 HydrophobicContact CD2-CG1 4.09Å; L607-I612 HydrophobicContact CG-CG1 4.3Å; L607-V643 HydrophobicContact CD2-CG1 4.05Å; L607-Y645 HydrophobicContact CD1-CD1 4.09Å; L607-Y645 HydrophobicContact CD1-CD2 3.46Å; L607-Y645 VanDerWaalsContact CD1-CD2 3.46Å; L607-Y645 HydrophobicContact CD1-CE2 4.04Å; L607-Y645 HydrophobicContact CD1-CG 3.48Å; L607-Y645 VanDerWaalsContact CD1-CG 3.48Å; L607-Y645 HydrophobicContact CD2-CD1 3.89Å; L607-Y645 HydrophobicContact CD2-CE1 4.35Å; L607-Y645 HydrophobicContact CD2-CG 4.1Å; L607-Y645 HydrophobicContact CG-CG 4.46Å; L607-L651 HydrophobicContact CD2-CD2 4.43Å
608P93.4Very high86Confident53 Ų5357.5 Ų57.534%0.34432%0.323SS..EExtended strand (participates in β ladder)trans-62132173-20.132.9000110.8A610 D611P608-A610 PolarHBondContact O-N 3.5Å; P608-D611 VanDerWaalsContact CB-OD2 3.3Å; P608-D611 WeakPolarHBondContact CB-OD2 3.2Å; P608-D611 WeakPolarHBondContact CD-OD2 3.31Å; P608-D611 WeakPolarHBondContact CG-OD2 3.37Å; P608-D611 PolarHBondContact O-N 3.5Å
609V93.2Very high86.5Confident16 Ų1663.8 Ų63.810%0.09735%0.35CS..G310 helixtrans-61.8-29.8-179.21730000111.4L578 K583 L607 D611 I612 L671L578-V609 HydrophobicContact CD1-CG2 3.81Å; K583-V609 PolarHBondContact O-N 3.18Å; L607-V609 PolarHBondContact O-N 3.36Å; V609-D611 PolarHBondContact O-N 2.97Å; V609-I612 HydrophobicContact CB-CD1 4.45Å; V609-I612 HydrophobicContact CG1-CD1 4.42Å; V609-I612 HydrophobicContact CG2-CD1 4.44Å; V609-I612 WeakPolarHBondContact O-CB 3.25Å; V609-I612 PolarHBondContact O-N 3.45Å; V609-L671 HydrophobicContact CG1-CB 4.41Å
610A91.9Very high87.1Confident97 Ų9764.1 Ų64.180%0.80235%0.347SS*.G310 helixtrans-63.4-22.6176.600000113.7P608P608-A610 PolarHBondContact O-N 3.5Å
611D92Very high88Confident65 Ų6560.4 Ų60.435%0.34833%0.33SS..G310 helixtrans-89.3-8.7-178.5-57.3-29.2000112.1L607 P608 V609 K613 Y645L607-D611 HydrophobicContact CD1-CB 4.46Å; P608-D611 VanDerWaalsContact CB-OD2 3.3Å; P608-D611 WeakPolarHBondContact CB-OD2 3.2Å; P608-D611 WeakPolarHBondContact CD-OD2 3.31Å; P608-D611 WeakPolarHBondContact CG-OD2 3.37Å; P608-D611 PolarHBondContact O-N 3.5Å; V609-D611 PolarHBondContact O-N 2.97Å; D611-K613 PolarHBondContact O-N 3.05Å; D611-Y645 WeakPolarHBondContact O-CA 3.35Å; D611-Y645 WeakPolarHBondContact O-CB 3.4Å
612I93.6Very high88.6Confident15 Ų1555.9 Ų55.98%0.07731%0.308CS..EExtended strand (participates in β ladder)trans-73.3123.7177.5-59.4175.2000109.8L585 L607 V609 V643 L672L585-I612 HydrophobicContact CD1-CD1 3.85Å; L607-I612 HydrophobicContact CD2-CD1 4.37Å; L607-I612 HydrophobicContact CD2-CG1 4.09Å; L607-I612 HydrophobicContact CG-CG1 4.3Å; V609-I612 HydrophobicContact CB-CD1 4.45Å; V609-I612 HydrophobicContact CG1-CD1 4.42Å; V609-I612 HydrophobicContact CG2-CD1 4.44Å; V609-I612 WeakPolarHBondContact O-CB 3.25Å; V609-I612 PolarHBondContact O-N 3.45Å; I612-V643 HydrophobicContact CB-CG1 4.21Å; I612-V643 HydrophobicContact CD1-CG1 3.82Å; I612-V643 HydrophobicContact CG1-CG1 3.71Å; I612-V643 HydrophobicContact CG2-CG1 3.56Å; I612-L672 HydrophobicContact CB-CD2 4.03Å; I612-L672 HydrophobicContact CG2-CD1 3.89Å; I612-L672 HydrophobicContact CG2-CD2 3.82Å; I612-L672 HydrophobicContact CG2-CG 4.37Å
613K91.1Very high88.8Confident125 Ų12554 Ų5454%0.54329%0.292SS..EExtended strand (participates in β ladder)trans-92.3-44.8178-65.8177177.6172.20112.2D611 L644 E646D611-K613 PolarHBondContact O-N 3.05Å; K613-L644 PolarHBondContact N-O 3.45Å; K613-E646 WeakPolarHBondContact CE-O 3.23Å; K613-E646 PolarHBondContact NZ-O 2.84Å
614A91.8Very high88.8Confident25 Ų2554.4 Ų54.421%0.20729%0.293CS..EExtended strand (participates in β ladder)trans-159.4160.5-174.900000112.2L644A614-L644 HydrophobicContact CB-CD1 4.4Å; A614-L644 PolarHBondContact O-N 3.33Å
615V94Very high88.3Confident21 Ų2154 Ų5413%0.12729%0.29CS..EExtended strand (participates in β ladder)trans-111.1128.7163.7-174.90000106.9F641 S642 V643 L668 L672V615-F641 HydrophobicContact CG1-CB 4.49Å; V615-F641 HydrophobicContact CG1-CD2 4.26Å; V615-S642 CarbonylContact C-O 3.59Å; V615-S642 WeakPolarHBondContact CA-O 3.43Å; V615-V643 HydrophobicContact CG2-CG2 4.46Å; V615-L668 HydrophobicContact CG1-CD1 4.36Å; V615-L668 HydrophobicContact CG2-CB 3.69Å; V615-L668 HydrophobicContact CG2-CD1 4.04Å; V615-L668 HydrophobicContact CG2-CG 4.42Å; V615-L672 HydrophobicContact CG2-CD1 4.05Å
616I93.3Very high87Confident41 Ų4159.2 Ų59.221%0.2131%0.313CS..EExtended strand (participates in β ladder)trans-116.6155.4174.659.2-179.1000109.4D620 P622 F641 S642 L644I616-D620 HydrophobicContact CB-CB 4.4Å; I616-D620 WeakPolarHBondContact CD1-O 3.47Å; I616-P622 HydrophobicContact CD1-CG 4.41Å; I616-F641 CarbonylContact O-C 3.57Å; I616-F641 WeakPolarHBondContact O-CA 3.46Å; I616-F641 WeakPolarHBondContact O-CB 3.27Å; I616-S642 PolarHBondContact N-O 3.01Å; I616-S642 PolarHBondContact O-N 3.4Å; I616-L644 HydrophobicContact CB-CD1 4.11Å; I616-L644 HydrophobicContact CD1-CD1 3.46Å; I616-L644 VanDerWaalsContact CD1-CD1 3.46Å; I616-L644 HydrophobicContact CD1-CD2 4.45Å; I616-L644 HydrophobicContact CD1-CG 4.28Å; I616-L644 HydrophobicContact CG1-CD1 3.46Å; I616-L644 VanDerWaalsContact CG1-CD1 3.46Å; I616-L644 HydrophobicContact CG2-CD1 3.7Å
617T92.8Very high84.7Confident55 Ų5563 Ų6334%0.33733%0.329SS..EExtended strand (participates in β ladder)trans-134.7155.7-171.959.50000112.2K619 D620 C621 A640 F641 Y661 T665T617-K619 PolarHBondContact O-N 2.82Å; T617-D620 PolarHBondContact O-N 3.09Å; T617-C621 VanDerWaalsContact C-SG 3.51Å; T617-A640 WeakPolarHBondContact CA-O 3.43Å; T617-F641 HydrophobicContact CG2-CB 3.94Å; T617-Y661 VanDerWaalsContact CB-OH 3.23Å; T617-Y661 WeakPolarHBondContact CB-OH 3.48Å; T617-Y661 HydrophobicContact CG2-CE2 4.37Å; T617-Y661 VanDerWaalsContact CG2-OH 3.29Å; T617-Y661 WeakPolarHBondContact CG2-OH 3.45Å; T617-T665 HydrophobicContact CG2-CG2 4.05Å
618G88.1Confident82.6Confident10 Ų1065.7 Ų65.710%0.10336%0.358CS..G310 helixtrans49.4-126177.800000114.8D620 C621 L637 A640G618-D620 PolarHBondContact O-N 3.34Å; G618-C621 WeakPolarHBondContact O-CB 3.43Å; G618-C621 PolarHBondContact O-N 2.86Å; G618-C621 PolarHBondContact O-SG 2.74Å; G618-L637 WeakPolarHBondContact CA-O 3.35Å; G618-A640 PolarHBondContact N-O 3.47Å
619K86.2Confident80.2Confident143 Ų14365.7 Ų65.762%0.62236%0.362SS*.G310 helixtrans-58.9-22.6-174.765.1-178.1-178.7-179.30114.3T617 C621 L637T617-K619 PolarHBondContact O-N 2.82Å; K619-C621 VanDerWaalsContact C-N 3.27Å; K619-L637 HydrophobicContact CB-CD2 3.99Å
620D87.1Confident77.8Confident85 Ų8569.6 Ų69.646%0.45538%0.382SS..G310 helixtrans-78.9-19.1-177.7-64.2-42.9000111.4I616 T617 G618 K625I616-D620 HydrophobicContact CB-CB 4.4Å; I616-D620 WeakPolarHBondContact CD1-O 3.47Å; T617-D620 PolarHBondContact O-N 3.09Å; G618-D620 PolarHBondContact O-N 3.34Å; D620-K625 VanDerWaalsContact O-CE 3.24Å; D620-K625 WeakPolarHBondContact O-CE 3.42Å; D620-K625 PolarHBondContact O-NZ 2.98Å
621C87.8Confident75.7Confident0 Ų074.1 Ų74.10%038%0.383CS..SBendtrans-59.8133.5175.5-58.50000111.8T617 G618 K619 H623 M624 F641T617-C621 VanDerWaalsContact C-SG 3.51Å; G618-C621 WeakPolarHBondContact O-CB 3.43Å; G618-C621 PolarHBondContact O-N 2.86Å; G618-C621 PolarHBondContact O-SG 2.74Å; K619-C621 VanDerWaalsContact C-N 3.27Å; C621-H623 WeakPolarHBondContact CB-CE1 3.41Å; C621-H623 PolarHBondContact O-N 3.06Å; C621-M624 HydrophobicContact CB-CB 4.26Å; C621-M624 HydrophobicContact CB-CG 4.07Å; C621-M624 PolarHBondContact O-N 3.36Å; C621-F641 VanDerWaalsContact SG-CA 3.55Å
622P84Confident73.5Confident38 Ų3878.4 Ų78.425%0.24740%0.401CS..G310 helixtrans-57.3-40.1-177.5-25.235.1000112.4I616 M624 K625 Y650I616-P622 HydrophobicContact CD1-CG 4.41Å; P622-M624 PolarHBondContact O-N 3.08Å; P622-K625 PolarHBondContact O-N 3.19Å; P622-Y650 HydrophobicContact CB-CD1 4.17Å; P622-Y650 HydrophobicContact CB-CD2 4.46Å; P622-Y650 HydrophobicContact CB-CE1 3.93Å; P622-Y650 HydrophobicContact CB-CE2 4.27Å; P622-Y650 HydrophobicContact CB-CG 4.41Å; P622-Y650 HydrophobicContact CG-CD1 3.75Å; P622-Y650 HydrophobicContact CG-CD2 4.31Å; P622-Y650 HydrophobicContact CG-CE1 4.03Å; P622-Y650 HydrophobicContact CG-CG 3.88Å
623H79.3Confident71.9Confident29 Ų2979.8 Ų79.813%0.13441%0.409CS..G310 helixtrans-71.5-7.5-179.866.4-92.1000114.3I564 C621 S642 N652I564-H623 HydrophobicContact CD1-CB 3.96Å; I564-H623 WeakPolarHBondContact CD1-CD2 3.31Å; C621-H623 WeakPolarHBondContact CB-CE1 3.41Å; C621-H623 PolarHBondContact O-N 3.06Å; H623-S642 PolarHBondContact CE1-OG 3.4Å; H623-S642 PolarHBondContact ND1-OG 3.35Å; H623-N652 HydrophobicContact CB-CB 4.48Å; H623-N652 WeakPolarHBondContact ND1-CB 3.34Å; H623-N652 PolarHBondContact ND1-OD1 2.87Å
624M79.3Confident70.8Confident13 Ų1381.7 Ų81.76%0.06442%0.417CS..G310 helixtrans-102.2-5.4176.1-69.8-70.1120.100113.2C621 P622 V636 L637 A640 I654C621-M624 HydrophobicContact CB-CB 4.26Å; C621-M624 HydrophobicContact CB-CG 4.07Å; C621-M624 PolarHBondContact O-N 3.36Å; P622-M624 PolarHBondContact O-N 3.08Å; M624-V636 HydrophobicContact CE-CG1 4.11Å; M624-L637 HydrophobicContact SD-CD1 4.15Å; M624-L637 HydrophobicContact SD-CG 4.18Å; M624-A640 HydrophobicContact CE-CB 4.47Å; M624-A640 HydrophobicContact CG-CB 3.89Å; M624-A640 HydrophobicContact SD-CB 4.23Å; M624-I654 HydrophobicContact CE-CD1 4.41Å
625K68.8Low69.7Low133 Ų13384 Ų8458%0.57842%0.423SS*.  trans-84.3-7.3-176.4-70.8177.4-177.5167.10114.3D620 P622D620-K625 VanDerWaalsContact O-CE 3.24Å; D620-K625 WeakPolarHBondContact O-CE 3.42Å; D620-K625 PolarHBondContact O-NZ 2.98Å; P622-K625 PolarHBondContact O-N 3.19Å
626E58.2Low68.8Low150 Ų15083.8 Ų83.870%0.70142%0.422SS*.SBendtrans-73136.2180-70.7-166.6162.800112.8G628 A629E626-G628 PolarHBondContact O-N 3.47Å; E626-A629 PolarHBondContact O-N 3.08Å
627K41.2Very low68.3Low206 Ų20683.7 Ų83.790%0.89642%0.422SS*.THydrogen-bonded Turntrans-63.5-6.7-169.5-76.3-179.9175.6175.70115.8
628G47.2Very low68Low60 Ų6086.3 Ų86.362%0.61943%0.43SS*.THydrogen-bonded Turntrans-97.4-35.7178.700000114.9E626E626-G628 PolarHBondContact O-N 3.47Å
629A43.6Very low68Low52 Ų5287 Ų8743%0.4343%0.432SS..G310 helixtrans-75.2-29.6-174.100000113.3E626 K631 Q632E626-A629 PolarHBondContact O-N 3.08Å; A629-K631 PolarHBondContact O-N 3.03Å; A629-Q632 PolarHBondContact O-N 2.82Å
630L43.7Very low68.1Low98 Ų9880.2 Ų80.251%0.51340%0.402SS..G310 helixtrans-67.4-14.4-176.1-78.7156.6000114.8L637L630-L637 HydrophobicContact CD2-CD1 3.79Å
631K46.2Very low68.5Low192 Ų19276.2 Ų76.284%0.83538%0.381SS*.G310 helixtrans-93.4-12-178.2-87.5-171.7176.3-176.70114.7A629A629-K631 PolarHBondContact O-N 3.03Å
632Q46.1Very low68.7Low156 Ų15676.2 Ų76.273%0.72938%0.381SS*.THydrogen-bonded Turntrans-122.4-25.9-170.1-80.3-176.9-21.200117.3A629A629-Q632 PolarHBondContact O-N 2.82Å
633N60.6Low69.2Low43 Ų4374.4 Ų74.423%0.2337%0.369CS..  trans-137.985.8-175.3-76.8-34.1000114E435 E635 V636 L637E435-N633 PolarHBondContact OE1-ND2 2.83Å; N633-E635 PolarHBondContact O-N 2.95Å; N633-V636 HydrophobicContact CB-CB 4.02Å; N633-V636 HydrophobicContact CB-CG2 3.77Å; N633-V636 PolarHBondContact O-N 3.35Å; N633-L637 PolarHBondContact O-N 3.46Å
634K67.8Low69.9Low165 Ų16575.6 Ų75.672%0.71738%0.376SS*.Hα-helixtrans-57.3-36.1172.4-174.8-175.9172.3-167.50112.1L637 E638K634-L637 WeakPolarHBondContact O-CB 3.49Å; K634-L637 PolarHBondContact O-N 2.83Å; K634-E638 PolarHBondContact O-N 2.91Å
635E68.6Low70.3Confident73 Ų7376.6 Ų76.634%0.34138%0.379SS..Hα-helixtrans-67.7-41.7-178.2-63.8-173.3159.700112.8K428 S434 N633 L637 E638 L639K428-E635 IonicContact NZ-OE1 2.82Å; K428-E635 PolarHBondContact NZ-OE1 2.83Å; S434-E635 WeakPolarHBondContact CB-OE2 3.43Å; S434-E635 PolarHBondContact OG-OE2 2.95Å; N633-E635 PolarHBondContact O-N 2.95Å; E635-L637 PolarHBondContact O-N 3.16Å; E635-E638 PolarHBondContact O-N 3.47Å; E635-L639 PolarHBondContact O-N 3.3Å
636V75.3Confident70.6Confident17 Ų1775.5 Ų75.510%0.10338%0.376CS..Hα-helixtrans-61.3-36.1175.8174.40000110.9M624 N633 E638 L639 A640 I654M624-V636 HydrophobicContact CE-CG1 4.11Å; N633-V636 HydrophobicContact CB-CB 4.02Å; N633-V636 HydrophobicContact CB-CG2 3.77Å; N633-V636 PolarHBondContact O-N 3.35Å; V636-E638 PolarHBondContact O-N 3.36Å; V636-L639 PolarHBondContact O-N 3.42Å; V636-L639 VanDerWaalsContact O-N 3.1Å; V636-A640 WeakPolarHBondContact O-CB 3.47Å; V636-A640 PolarHBondContact O-N 2.83Å; V636-I654 HydrophobicContact CG1-CD1 3.73Å; V636-I654 HydrophobicContact CG1-CG1 4.42Å; V636-I654 HydrophobicContact CG1-CG2 4.24Å
637L82.1Confident70.9Confident40 Ų4073.3 Ų73.321%0.20938%0.378CS..Hα-helixtrans-66.6-27.3177.8-144.1132.6000112.4G618 K619 M624 L630 N633 K634 E635 L639G618-L637 WeakPolarHBondContact CA-O 3.35Å; K619-L637 HydrophobicContact CB-CD2 3.99Å; M624-L637 HydrophobicContact SD-CD1 4.15Å; M624-L637 HydrophobicContact SD-CG 4.18Å; L630-L637 HydrophobicContact CD2-CD1 3.79Å; N633-L637 PolarHBondContact O-N 3.46Å; K634-L637 WeakPolarHBondContact O-CB 3.49Å; K634-L637 PolarHBondContact O-N 2.83Å; E635-L637 PolarHBondContact O-N 3.16Å; L637-L639 VanDerWaalsContact C-N 3.33Å
638E86.2Confident72.2Confident110 Ų11070.9 Ų70.951%0.51437%0.374SS..Hα-helixtrans-79.2-17.1174.5-68.1-179.7-173.500112.7K634 E635 V636K634-E638 PolarHBondContact O-N 2.91Å; E635-E638 PolarHBondContact O-N 3.47Å; V636-E638 PolarHBondContact O-N 3.36Å
639L88.4Confident73.8Confident25 Ų2572.5 Ų72.513%0.13137%0.366CS..Hα-helixtrans-103.3-6179.3-60180000113.7E635 V636 L637 I654 A655 K658 Y661E635-L639 PolarHBondContact O-N 3.3Å; V636-L639 PolarHBondContact O-N 3.42Å; V636-L639 VanDerWaalsContact O-N 3.1Å; L637-L639 VanDerWaalsContact C-N 3.33Å; L639-I654 HydrophobicContact CB-CG2 4.31Å; L639-A655 HydrophobicContact CB-CB 4.39Å; L639-A655 PolarHBondContact O-N 3.01Å; L639-K658 HydrophobicContact CD2-CB 4.2Å; L639-Y661 WeakPolarHBondContact O-CD2 3.48Å
640A89.7Confident75.8Confident0 Ų075.5 Ų75.50%037%0.367CS..EExtended strand (participates in β ladder)trans-82.1132.6-176.800000112.1T617 G618 M624 V636 F653T617-A640 WeakPolarHBondContact CA-O 3.43Å; G618-A640 PolarHBondContact N-O 3.47Å; M624-A640 HydrophobicContact CE-CB 4.47Å; M624-A640 HydrophobicContact CG-CB 3.89Å; M624-A640 HydrophobicContact SD-CB 4.23Å; V636-A640 WeakPolarHBondContact O-CB 3.47Å; V636-A640 PolarHBondContact O-N 2.83Å; A640-F653 WeakPolarHBondContact CA-O 3.48Å
641F93.6Very high78Confident0 Ų071.7 Ų71.70%035%0.347CS..EExtended strand (participates in β ladder)trans-144.5162.5168.966.7-80.1000111.5F561 V615 I616 T617 C621 F653 A655 Y661 W664 T665 L668F561-F641 HydrophobicContact CE1-CE1 4.18Å; F561-F641 AromaticContact CE1-CZ 3.97Å; F561-F641 HydrophobicContact CE1-CZ 3.97Å; F561-F641 HydrophobicContact CZ-CZ 4.25Å; V615-F641 HydrophobicContact CG1-CB 4.49Å; V615-F641 HydrophobicContact CG1-CD2 4.26Å; I616-F641 CarbonylContact O-C 3.57Å; I616-F641 WeakPolarHBondContact O-CA 3.46Å; I616-F641 WeakPolarHBondContact O-CB 3.27Å; T617-F641 HydrophobicContact CG2-CB 3.94Å; C621-F641 VanDerWaalsContact SG-CA 3.55Å; F641-F653 HydrophobicContact CD1-CB 3.68Å; F641-F653 HydrophobicContact CD2-CB 3.85Å; F641-F653 AromaticContact CD2-CD2 3.87Å; F641-F653 HydrophobicContact CD2-CD2 3.87Å; F641-F653 AromaticContact CD2-CG 3.95Å; F641-F653 HydrophobicContact CD2-CG 3.95Å; F641-F653 HydrophobicContact CE1-CB 3.36Å; F641-F653 HydrophobicContact CE1-CD1 4.4Å; F641-F653 HydrophobicContact CE1-CG 4.04Å; F641-F653 HydrophobicContact CE2-CB 3.55Å; F641-F653 AromaticContact CE2-CD1 3.78Å; F641-F653 HydrophobicContact CE2-CD1 3.78Å; F641-F653 AromaticContact CE2-CD2 3.53Å; F641-F653 HydrophobicContact CE2-CD2 3.53Å; F641-F653 HydrophobicContact CE2-CE1 4.29Å; F641-F653 HydrophobicContact CE2-CE2 4.1Å; F641-F653 AromaticContact CE2-CG 3.35Å; F641-F653 HydrophobicContact CE2-CG 3.35Å; F641-F653 HydrophobicContact CE2-CZ 4.43Å; F641-F653 HydrophobicContact CG-CB 3.91Å; F641-F653 HydrophobicContact CZ-CB 3.3Å; F641-F653 AromaticContact CZ-CD1 3.56Å; F641-F653 HydrophobicContact CZ-CD1 3.56Å; F641-F653 HydrophobicContact CZ-CD2 4.1Å; F641-F653 HydrophobicContact CZ-CE1 4.33Å; F641-F653 AromaticContact CZ-CG 3.41Å; F641-F653 HydrophobicContact CZ-CG 3.41Å; F641-F653 VanDerWaalsContact CZ-CG 3.41Å; F641-F653 PolarHBondContact N-O 3.25Å; F641-F653 WeakPolarHBondContact O-CA 3.25Å; F641-F653 PolarHBondContact O-N 2.93Å; F641-A655 HydrophobicContact CE1-CB 4.17Å; F641-Y661 HydrophobicContact CB-CE2 4.15Å; F641-Y661 AromaticContact CD1-CD2 3.83Å; F641-Y661 HydrophobicContact CD1-CD2 3.83Å; F641-Y661 HydrophobicContact CD1-CE2 4.12Å; F641-Y661 HydrophobicContact CE1-CD2 4.49Å; F641-W664 HydrophobicContact CE1-CB 4.23Å; F641-W664 HydrophobicContact CE2-CB 4.1Å; F641-W664 HydrophobicContact CZ-CB 3.58Å; F641-W664 HydrophobicContact CZ-CD2 4.46Å; F641-W664 HydrophobicContact CZ-CG 4.06Å; F641-T665 HydrophobicContact CB-CG2 4.02Å; F641-T665 HydrophobicContact CD1-CG2 4.3Å; F641-T665 HydrophobicContact CD2-CG2 4.31Å; F641-T665 HydrophobicContact CG-CG2 3.97Å; F641-L668 HydrophobicContact CD2-CD1 4.2Å; F641-L668 HydrophobicContact CE2-CD1 3.81Å
642S93.6Very high80.1Confident0 Ų064.4 Ų64.40%032%0.317CS..EExtended strand (participates in β ladder)trans-144.8138.9178.2-53.20000111.3V615 I616 H623 L651 N652V615-S642 CarbonylContact C-O 3.59Å; V615-S642 WeakPolarHBondContact CA-O 3.43Å; I616-S642 PolarHBondContact N-O 3.01Å; I616-S642 PolarHBondContact O-N 3.4Å; H623-S642 PolarHBondContact CE1-OG 3.4Å; H623-S642 PolarHBondContact ND1-OG 3.35Å; S642-L651 CarbonylContact C-O 3.59Å; S642-L651 VanDerWaalsContact CA-O 3.23Å; S642-L651 WeakPolarHBondContact CA-O 3.33Å; S642-N652 PolarHBondContact OG-OD1 3.39Å
643V94.7Very high82.2Confident0 Ų057 Ų570%028%0.282CS..EExtended strand (participates in β ladder)trans-95.6116.1174.2178.40000107.7L607 I612 V615 Y650 L651 F653 L668L607-V643 HydrophobicContact CD2-CG1 4.05Å; I612-V643 HydrophobicContact CB-CG1 4.21Å; I612-V643 HydrophobicContact CD1-CG1 3.82Å; I612-V643 HydrophobicContact CG1-CG1 3.71Å; I612-V643 HydrophobicContact CG2-CG1 3.56Å; V615-V643 HydrophobicContact CG2-CG2 4.46Å; V643-Y650 CarbonylContact O-C 3.52Å; V643-Y650 VanDerWaalsContact O-CA 3.3Å; V643-Y650 WeakPolarHBondContact O-CA 3.27Å; V643-L651 HydrophobicContact CB-CB 4.3Å; V643-L651 PolarHBondContact N-O 2.94Å; V643-L651 PolarHBondContact O-N 3.41Å; V643-F653 HydrophobicContact CB-CE2 4.25Å; V643-F653 HydrophobicContact CG2-CD2 4.38Å; V643-F653 HydrophobicContact CG2-CE2 3.63Å; V643-F653 HydrophobicContact CG2-CZ 4.33Å; V643-L668 HydrophobicContact CG2-CD1 3.8Å; V643-L668 HydrophobicContact CG2-CD2 4.35Å
644L92.3Very high83.4Confident54 Ų5455.7 Ų55.728%0.28328%0.275SS..EExtended strand (participates in β ladder)trans-88.2130.7175.2-65.877.8000109.5K613 A614 I616K613-L644 PolarHBondContact N-O 3.45Å; A614-L644 HydrophobicContact CB-CD1 4.4Å; A614-L644 PolarHBondContact O-N 3.33Å; I616-L644 HydrophobicContact CB-CD1 4.11Å; I616-L644 HydrophobicContact CD1-CD1 3.46Å; I616-L644 VanDerWaalsContact CD1-CD1 3.46Å; I616-L644 HydrophobicContact CD1-CD2 4.45Å; I616-L644 HydrophobicContact CD1-CG 4.28Å; I616-L644 HydrophobicContact CG1-CD1 3.46Å; I616-L644 VanDerWaalsContact CG1-CD1 3.46Å; I616-L644 HydrophobicContact CG2-CD1 3.7Å
645Y89Confident84.4Confident34 Ų3447.8 Ų47.813%0.13324%0.241CC..EExtended strand (participates in β ladder)trans-143.5157177.267.2-81.3000109.8L607 D611 E649 L651L607-Y645 HydrophobicContact CD1-CD1 4.09Å; L607-Y645 HydrophobicContact CD1-CD2 3.46Å; L607-Y645 VanDerWaalsContact CD1-CD2 3.46Å; L607-Y645 HydrophobicContact CD1-CE2 4.04Å; L607-Y645 HydrophobicContact CD1-CG 3.48Å; L607-Y645 VanDerWaalsContact CD1-CG 3.48Å; L607-Y645 HydrophobicContact CD2-CD1 3.89Å; L607-Y645 HydrophobicContact CD2-CE1 4.35Å; L607-Y645 HydrophobicContact CD2-CG 4.1Å; L607-Y645 HydrophobicContact CG-CG 4.46Å; D611-Y645 WeakPolarHBondContact O-CA 3.35Å; D611-Y645 WeakPolarHBondContact O-CB 3.4Å; Y645-E649 HydrophobicContact CD1-CB 4.43Å; Y645-E649 HydrophobicContact CD2-CB 4.16Å; Y645-E649 HydrophobicContact CE1-CB 4.09Å; Y645-E649 HydrophobicContact CE2-CB 3.82Å; Y645-E649 WeakPolarHBondContact CE2-OE2 3.3Å; Y645-E649 HydrophobicContact CG-CB 4.46Å; Y645-E649 PolarHBondContact N-O 3.38Å; Y645-E649 VanDerWaalsContact N-O 3.08Å; Y645-E649 CarbonylContact O-C 3.57Å; Y645-E649 WeakPolarHBondContact O-CA 3.39Å; Y645-E649 WeakPolarHBondContact O-CB 3.39Å; Y645-E649 PolarHBondContact O-N 3.14Å; Y645-E649 PolarHBondContact OH-OE2 3.12Å; Y645-L651 HydrophobicContact CE1-CB 4.09Å
646E75.1Confident84.8Confident111 Ų11147 Ų4752%0.51924%0.242SC..THydrogen-bonded Turntrans46.9-172.3-175.3-65.7-162.5176.300113.8K613 D648K613-E646 WeakPolarHBondContact CE-O 3.23Å; K613-E646 PolarHBondContact NZ-O 2.84Å; E646-D648 PolarHBondContact O-N 3.17Å; E646-D648 VanDerWaalsContact O-N 3.14Å
647S64.4Low85.1Confident104 Ų10449.8 Ų49.873%0.72726%0.256SS*.THydrogen-bonded Turntrans-83.393.2-174.3-57.90000110.7
648D68Low85.3Confident155 Ų15553.2 Ų53.283%0.82927%0.27SS*.THydrogen-bonded Turntrans81.713.4178.5-62.7-29.6000117E646E646-D648 PolarHBondContact O-N 3.17Å; E646-D648 VanDerWaalsContact O-N 3.14Å
649E81.1Confident85.4Confident93 Ų9351.1 Ų51.144%0.43526%0.26SS..EExtended strand (participates in β ladder)trans-88150.6170.4-59.8-166.616700112.1Y645Y645-E649 HydrophobicContact CD1-CB 4.43Å; Y645-E649 HydrophobicContact CD2-CB 4.16Å; Y645-E649 HydrophobicContact CE1-CB 4.09Å; Y645-E649 HydrophobicContact CE2-CB 3.82Å; Y645-E649 WeakPolarHBondContact CE2-OE2 3.3Å; Y645-E649 HydrophobicContact CG-CB 4.46Å; Y645-E649 PolarHBondContact N-O 3.38Å; Y645-E649 VanDerWaalsContact N-O 3.08Å; Y645-E649 CarbonylContact O-C 3.57Å; Y645-E649 WeakPolarHBondContact O-CA 3.39Å; Y645-E649 WeakPolarHBondContact O-CB 3.39Å; Y645-E649 PolarHBondContact O-N 3.14Å; Y645-E649 PolarHBondContact OH-OE2 3.12Å
650Y86.5Confident85.5Confident116 Ų11650.8 Ų50.846%0.45526%0.257SS..EExtended strand (participates in β ladder)trans-146.2143.6-178.448-98.6000111.3P622 V643 N652P622-Y650 HydrophobicContact CB-CD1 4.17Å; P622-Y650 HydrophobicContact CB-CD2 4.46Å; P622-Y650 HydrophobicContact CB-CE1 3.93Å; P622-Y650 HydrophobicContact CB-CE2 4.27Å; P622-Y650 HydrophobicContact CB-CG 4.41Å; P622-Y650 HydrophobicContact CG-CD1 3.75Å; P622-Y650 HydrophobicContact CG-CD2 4.31Å; P622-Y650 HydrophobicContact CG-CE1 4.03Å; P622-Y650 HydrophobicContact CG-CG 3.88Å; V643-Y650 CarbonylContact O-C 3.52Å; V643-Y650 VanDerWaalsContact O-CA 3.3Å; V643-Y650 WeakPolarHBondContact O-CA 3.27Å; Y650-N652 WeakPolarHBondContact CD2-ND2 3.23Å; Y650-N652 WeakPolarHBondContact CD2-OD1 3.38Å; Y650-N652 WeakPolarHBondContact CE2-ND2 3.48Å
651L89.8Confident85.7Confident17 Ų1752.7 Ų52.79%0.08927%0.265CS..EExtended strand (participates in β ladder)trans-106.6113.9168.7-173.662.4000107.8W574 Y587 L607 S642 V643 Y645 F653W574-L651 HydrophobicContact CH2-CD1 3.65Å; W574-L651 HydrophobicContact CH2-CD2 3.84Å; W574-L651 HydrophobicContact CH2-CG 3.65Å; W574-L651 HydrophobicContact CZ3-CD1 3.83Å; W574-L651 HydrophobicContact CZ3-CD2 4.07Å; W574-L651 HydrophobicContact CZ3-CG 4.17Å; Y587-L651 HydrophobicContact CD1-CD2 4.17Å; Y587-L651 HydrophobicContact CD2-CD1 4.15Å; Y587-L651 HydrophobicContact CE1-CD2 4.2Å; Y587-L651 HydrophobicContact CE2-CD1 3.85Å; Y587-L651 HydrophobicContact CG-CD2 4.41Å; L607-L651 HydrophobicContact CD2-CD2 4.43Å; S642-L651 CarbonylContact C-O 3.59Å; S642-L651 VanDerWaalsContact CA-O 3.23Å; S642-L651 WeakPolarHBondContact CA-O 3.33Å; V643-L651 HydrophobicContact CB-CB 4.3Å; V643-L651 PolarHBondContact N-O 2.94Å; V643-L651 PolarHBondContact O-N 3.41Å; Y645-L651 HydrophobicContact CE1-CB 4.09Å; L651-F653 HydrophobicContact CB-CE2 3.98Å; L651-F653 HydrophobicContact CD2-CE2 3.74Å; L651-F653 HydrophobicContact CD2-CZ 3.53Å; L651-F653 HydrophobicContact CG-CD2 4.42Å; L651-F653 HydrophobicContact CG-CE2 3.55Å; L651-F653 HydrophobicContact CG-CZ 3.8Å; L651-F653 VanDerWaalsContact O-CD2 3.27Å; L651-F653 WeakPolarHBondContact O-CD2 3.3Å; L651-F653 WeakPolarHBondContact O-CE2 3.46Å
652N89.6Confident85.7Confident39 Ų3952.9 Ų52.921%0.20927%0.266CS..EExtended strand (participates in β ladder)trans-91.8137.1-173.8-66.5-45000111.3I564 W574 H623 S642 Y650I564-N652 HydrophobicContact CD1-CB 4.16Å; W574-N652 VanDerWaalsContact CZ2-O 3.28Å; W574-N652 WeakPolarHBondContact CZ2-O 3.4Å; H623-N652 HydrophobicContact CB-CB 4.48Å; H623-N652 WeakPolarHBondContact ND1-CB 3.34Å; H623-N652 PolarHBondContact ND1-OD1 2.87Å; S642-N652 PolarHBondContact OG-OD1 3.39Å; Y650-N652 WeakPolarHBondContact CD2-ND2 3.23Å; Y650-N652 WeakPolarHBondContact CD2-OD1 3.38Å; Y650-N652 WeakPolarHBondContact CE2-ND2 3.48Å
653F90.3Very high85.8Confident0 Ų052.9 Ų52.90%027%0.266CS..EExtended strand (participates in β ladder)trans-129.8141.3178.8-61.9-103.6000110.4F561 W574 C576 A640 F641 V643 L651 W664F561-F653 HydrophobicContact CD1-CB 4.46Å; F561-F653 AromaticContact CD1-CD1 3.9Å; F561-F653 HydrophobicContact CD1-CD1 3.9Å; F561-F653 HydrophobicContact CD2-CD1 4.02Å; F561-F653 HydrophobicContact CD2-CE1 4.24Å; F561-F653 HydrophobicContact CE1-CB 4.46Å; F561-F653 AromaticContact CE1-CD1 3.69Å; F561-F653 HydrophobicContact CE1-CD1 3.69Å; F561-F653 HydrophobicContact CE1-CE1 4.49Å; F561-F653 AromaticContact CE2-CD1 3.82Å; F561-F653 HydrophobicContact CE2-CD1 3.82Å; F561-F653 AromaticContact CE2-CE1 3.87Å; F561-F653 HydrophobicContact CE2-CE1 3.87Å; F561-F653 HydrophobicContact CG-CD1 4.05Å; F561-F653 AromaticContact CZ-CD1 3.63Å; F561-F653 HydrophobicContact CZ-CD1 3.63Å; F561-F653 AromaticContact CZ-CE1 3.99Å; F561-F653 HydrophobicContact CZ-CE1 3.99Å; W574-F653 AromaticContact CH2-CD1 3.64Å; W574-F653 HydrophobicContact CH2-CD1 3.64Å; W574-F653 HydrophobicContact CH2-CD2 4.45Å; W574-F653 AromaticContact CH2-CE1 3.21Å; W574-F653 HydrophobicContact CH2-CE1 3.21Å; W574-F653 HydrophobicContact CH2-CE2 4.07Å; W574-F653 HydrophobicContact CH2-CG 4.26Å; W574-F653 AromaticContact CH2-CZ 3.45Å; W574-F653 HydrophobicContact CH2-CZ 3.45Å; W574-F653 VanDerWaalsContact CH2-CZ 3.45Å; W574-F653 AromaticContact CZ2-CD1 3.41Å; W574-F653 HydrophobicContact CZ2-CD1 3.41Å; W574-F653 VanDerWaalsContact CZ2-CD1 3.41Å; W574-F653 HydrophobicContact CZ2-CD2 4.43Å; W574-F653 AromaticContact CZ2-CE1 3.53Å; W574-F653 HydrophobicContact CZ2-CE1 3.53Å; W574-F653 HydrophobicContact CZ2-CE2 4.49Å; W574-F653 AromaticContact CZ2-CG 3.92Å; W574-F653 HydrophobicContact CZ2-CG 3.92Å; W574-F653 HydrophobicContact CZ2-CZ 4.09Å; W574-F653 HydrophobicContact CZ3-CE1 4.23Å; W574-F653 HydrophobicContact CZ3-CZ 4.45Å; C576-F653 HydrophobicContact CB-CE1 4.05Å; A640-F653 WeakPolarHBondContact CA-O 3.48Å; F641-F653 HydrophobicContact CD1-CB 3.68Å; F641-F653 HydrophobicContact CD2-CB 3.85Å; F641-F653 AromaticContact CD2-CD2 3.87Å; F641-F653 HydrophobicContact CD2-CD2 3.87Å; F641-F653 AromaticContact CD2-CG 3.95Å; F641-F653 HydrophobicContact CD2-CG 3.95Å; F641-F653 HydrophobicContact CE1-CB 3.36Å; F641-F653 HydrophobicContact CE1-CD1 4.4Å; F641-F653 HydrophobicContact CE1-CG 4.04Å; F641-F653 HydrophobicContact CE2-CB 3.55Å; F641-F653 AromaticContact CE2-CD1 3.78Å; F641-F653 HydrophobicContact CE2-CD1 3.78Å; F641-F653 AromaticContact CE2-CD2 3.53Å; F641-F653 HydrophobicContact CE2-CD2 3.53Å; F641-F653 HydrophobicContact CE2-CE1 4.29Å; F641-F653 HydrophobicContact CE2-CE2 4.1Å; F641-F653 AromaticContact CE2-CG 3.35Å; F641-F653 HydrophobicContact CE2-CG 3.35Å; F641-F653 HydrophobicContact CE2-CZ 4.43Å; F641-F653 HydrophobicContact CG-CB 3.91Å; F641-F653 HydrophobicContact CZ-CB 3.3Å; F641-F653 AromaticContact CZ-CD1 3.56Å; F641-F653 HydrophobicContact CZ-CD1 3.56Å; F641-F653 HydrophobicContact CZ-CD2 4.1Å; F641-F653 HydrophobicContact CZ-CE1 4.33Å; F641-F653 AromaticContact CZ-CG 3.41Å; F641-F653 HydrophobicContact CZ-CG 3.41Å; F641-F653 VanDerWaalsContact CZ-CG 3.41Å; F641-F653 PolarHBondContact N-O 3.25Å; F641-F653 WeakPolarHBondContact O-CA 3.25Å; F641-F653 PolarHBondContact O-N 2.93Å; V643-F653 HydrophobicContact CB-CE2 4.25Å; V643-F653 HydrophobicContact CG2-CD2 4.38Å; V643-F653 HydrophobicContact CG2-CE2 3.63Å; V643-F653 HydrophobicContact CG2-CZ 4.33Å; L651-F653 HydrophobicContact CB-CE2 3.98Å; L651-F653 HydrophobicContact CD2-CE2 3.74Å; L651-F653 HydrophobicContact CD2-CZ 3.53Å; L651-F653 HydrophobicContact CG-CD2 4.42Å; L651-F653 HydrophobicContact CG-CE2 3.55Å; L651-F653 HydrophobicContact CG-CZ 3.8Å; L651-F653 VanDerWaalsContact O-CD2 3.27Å; L651-F653 WeakPolarHBondContact O-CD2 3.3Å; L651-F653 WeakPolarHBondContact O-CE2 3.46Å; F653-W664 HydrophobicContact CE1-CE3 4.47Å; F653-W664 HydrophobicContact CE1-CZ3 4.38Å
654I86.4Confident85.8Confident16 Ų1652.9 Ų52.98%0.08227%0.266CS..EExtended strand (participates in β ladder)trans-120.5112.8157.9-61.4178.8000105.3F561 I564 M624 V636 L639F561-I654 WeakPolarHBondContact CD1-O 3.43Å; I564-I654 HydrophobicContact CB-CD1 4.41Å; I564-I654 HydrophobicContact CD1-CD1 3.73Å; I564-I654 HydrophobicContact CD1-CG1 3.79Å; I564-I654 HydrophobicContact CG1-CD1 3.54Å; I564-I654 HydrophobicContact CG1-CG1 3.9Å; I564-I654 HydrophobicContact CG2-CD1 4.36Å; M624-I654 HydrophobicContact CE-CD1 4.41Å; V636-I654 HydrophobicContact CG1-CD1 3.73Å; V636-I654 HydrophobicContact CG1-CG1 4.42Å; V636-I654 HydrophobicContact CG1-CG2 4.24Å; L639-I654 HydrophobicContact CB-CG2 4.31Å
655A87.1Confident86Confident0 Ų050.9 Ų50.90%026%0.256CS..  trans-62.5146177.500000110.8L639 F641 D657 Y661L639-A655 HydrophobicContact CB-CB 4.39Å; L639-A655 PolarHBondContact O-N 3.01Å; F641-A655 HydrophobicContact CE1-CB 4.17Å; A655-D657 WeakPolarHBondContact CB-O 3.46Å; A655-D657 PolarHBondContact O-N 3.06Å; A655-Y661 VanDerWaalsContact CB-CA 3.49Å; A655-Y661 HydrophobicContact CB-CD2 4.34Å; A655-Y661 HydrophobicContact CB-CG 4.45Å
656P78.6Confident86.4Confident57 Ų5749.3 Ų49.337%0.3725%0.25SC..SBendtrans-64.2-33.4177.426.4-34.5000111.9T559 E660T559-P656 HydrophobicContact CG2-CG 4.18Å; P656-E660 HydrophobicContact CG-CB 3.72Å; P656-E660 HydrophobicContact CG-CG 3.77Å
657D81.8Confident87.4Confident75 Ų7544 Ų4440%0.40123%0.225SC..SBendtrans-151.1176.7176.863.245.5000111.6A655 H659 E660 Y661A655-D657 WeakPolarHBondContact CB-O 3.46Å; A655-D657 PolarHBondContact O-N 3.06Å; D657-H659 VanDerWaalsContact C-N 3.26Å; D657-H659 PolarHBondContact O-N 2.76Å; D657-H659 VanDerWaalsContact OD1-CA 3.29Å; D657-H659 WeakPolarHBondContact OD1-CA 3.46Å; D657-H659 VanDerWaalsContact OD1-CB 3.23Å; D657-H659 WeakPolarHBondContact OD1-CB 3.37Å; D657-H659 PolarHBondContact OD1-N 3.13Å; D657-E660 PolarHBondContact OD1-N 2.87Å; D657-Y661 WeakPolarHBondContact O-CB 3.36Å; D657-Y661 PolarHBondContact O-N 2.84Å
658K86.3Confident88.9Confident112 Ų11239.1 Ų39.149%0.48719%0.191SC..Hα-helixtrans-65.7-28.6179.5-172.6172.4179.7179.70112.7L639 C662 D679 Y680L639-K658 HydrophobicContact CD2-CB 4.2Å; K658-C662 WeakPolarHBondContact O-CB 3.39Å; K658-C662 PolarHBondContact O-N 2.92Å; K658-C662 VanDerWaalsContact O-N 3.11Å; K658-C662 PolarHBondContact O-SG 3.22Å; K658-D679 IonicContact NZ-OD2 2.86Å; K658-Y680 HydrophobicContact CG-CE2 4.43Å
659H87.2Confident90.2Very high66 Ų6633 Ų3331%0.30616%0.158SC..Hα-helixtrans-68.4-54.3178.817876.1000110.2D657 Y661 C662 V663 Y680D657-H659 VanDerWaalsContact C-N 3.26Å; D657-H659 PolarHBondContact O-N 2.76Å; D657-H659 VanDerWaalsContact OD1-CA 3.29Å; D657-H659 WeakPolarHBondContact OD1-CA 3.46Å; D657-H659 VanDerWaalsContact OD1-CB 3.23Å; D657-H659 WeakPolarHBondContact OD1-CB 3.37Å; D657-H659 PolarHBondContact OD1-N 3.13Å; H659-Y661 VanDerWaalsContact C-N 3.29Å; H659-Y661 PolarHBondContact O-N 3.01Å; H659-C662 PolarHBondContact O-N 3.22Å; H659-C662 VanDerWaalsContact O-N 3.07Å; H659-V663 WeakPolarHBondContact O-CG2 3.49Å; H659-V663 PolarHBondContact O-N 3.04Å; H659-Y680 HydrophobicContact CB-CE1 4.28Å; H659-Y680 HydrophobicContact CB-CE2 4.43Å; H659-Y680 AromaticContact ND1-CD1 3.47Å; H659-Y680 WeakPolarHBondContact ND1-CD1 3.4Å; H659-Y680 AromaticContact ND1-CE1 3.15Å; H659-Y680 WeakPolarHBondContact ND1-CE1 3.39Å; H659-Y680 AromaticContact ND1-CZ 3.72Å
660E90.9Very high90.9Very high17 Ų1728.9 Ų28.98%0.07914%0.14CC..Hα-helixtrans-61.4-37.9177-74.6-64.9143.900111.4R554 T559 P656 D657 C662 V663 W664R554-E660 IonicContact NH2-OE1 3.23Å; R554-E660 PolarHBondContact NH2-OE1 3.47Å; T559-E660 HydrophobicContact CG2-CG 4.17Å; T559-E660 WeakPolarHBondContact CG2-OE2 3.43Å; T559-E660 PolarHBondContact OG1-OE2 3.32Å; P656-E660 HydrophobicContact CG-CB 3.72Å; P656-E660 HydrophobicContact CG-CG 3.77Å; D657-E660 PolarHBondContact OD1-N 2.87Å; E660-C662 VanDerWaalsContact C-N 3.34Å; E660-C662 PolarHBondContact O-N 3.49Å; E660-V663 PolarHBondContact O-N 3.37Å; E660-W664 WeakPolarHBondContact O-CB 3.49Å; E660-W664 VanDerWaalsContact O-CD1 3.27Å; E660-W664 PolarHBondContact O-N 2.95Å; E660-W664 PolarHBondContact OE2-NE1 3.15Å
661Y93.3Very high91.3Very high41 Ų4125.1 Ų25.116%0.16113%0.128CC..Hα-helixtrans-54.5-49.8171.4174.8-98.9000112T617 L639 F641 A655 D657 H659 T665T617-Y661 VanDerWaalsContact CB-OH 3.23Å; T617-Y661 WeakPolarHBondContact CB-OH 3.48Å; T617-Y661 HydrophobicContact CG2-CE2 4.37Å; T617-Y661 VanDerWaalsContact CG2-OH 3.29Å; T617-Y661 WeakPolarHBondContact CG2-OH 3.45Å; L639-Y661 WeakPolarHBondContact O-CD2 3.48Å; F641-Y661 HydrophobicContact CB-CE2 4.15Å; F641-Y661 AromaticContact CD1-CD2 3.83Å; F641-Y661 HydrophobicContact CD1-CD2 3.83Å; F641-Y661 HydrophobicContact CD1-CE2 4.12Å; F641-Y661 HydrophobicContact CE1-CD2 4.49Å; A655-Y661 VanDerWaalsContact CB-CA 3.49Å; A655-Y661 HydrophobicContact CB-CD2 4.34Å; A655-Y661 HydrophobicContact CB-CG 4.45Å; D657-Y661 WeakPolarHBondContact O-CB 3.36Å; D657-Y661 PolarHBondContact O-N 2.84Å; H659-Y661 VanDerWaalsContact C-N 3.29Å; H659-Y661 PolarHBondContact O-N 3.01Å; Y661-T665 HydrophobicContact CD2-CG2 4.2Å; Y661-T665 HydrophobicContact CE1-CG2 4.44Å; Y661-T665 HydrophobicContact CE2-CG2 3.88Å; Y661-T665 WeakPolarHBondContact O-CB 3.49Å; Y661-T665 VanDerWaalsContact O-CG2 3.31Å; Y661-T665 WeakPolarHBondContact O-CG2 3.35Å; Y661-T665 PolarHBondContact O-N 3.26Å; Y661-T665 PolarHBondContact O-OG1 3.34Å
662C94.4Very high91.5Very high4 Ų426.7 Ų26.73%0.02714%0.136CC..Hα-helixtrans-67.4-43-179.4-66.80000111.5K658 H659 E660 W664 T665 D666 Y680K658-C662 WeakPolarHBondContact O-CB 3.39Å; K658-C662 PolarHBondContact O-N 2.92Å; K658-C662 VanDerWaalsContact O-N 3.11Å; K658-C662 PolarHBondContact O-SG 3.22Å; H659-C662 PolarHBondContact O-N 3.22Å; H659-C662 VanDerWaalsContact O-N 3.07Å; E660-C662 VanDerWaalsContact C-N 3.34Å; E660-C662 PolarHBondContact O-N 3.49Å; C662-W664 PolarHBondContact O-N 2.94Å; C662-T665 PolarHBondContact O-OG1 2.86Å; C662-D666 WeakPolarHBondContact O-CB 3.5Å; C662-D666 PolarHBondContact O-N 2.75Å; C662-Y680 HydrophobicContact CB-CD2 3.75Å; C662-Y680 HydrophobicContact CB-CG 4.14Å; C662-Y680 VanDerWaalsContact SG-CD2 3.59Å
663V94.3Very high91.6Very high0 Ų028.1 Ų28.10%016%0.16CC..Hα-helixtrans-60.3-47178.31700000111.1R554 H659 E660 G667R554-V663 HydrophobicContact CB-CG1 3.61Å; R554-V663 HydrophobicContact CG-CG1 4.15Å; H659-V663 WeakPolarHBondContact O-CG2 3.49Å; H659-V663 PolarHBondContact O-N 3.04Å; E660-V663 PolarHBondContact O-N 3.37Å; V663-G667 PolarHBondContact O-N 2.6Å
664W96Very high91.8Very high0 Ų032.6 Ų32.60%018%0.18CC..Hα-helixtrans-69.4-48.3-179.3-85.884.1000112.9L555 T559 F561 C576 L585 F641 F653 E660 C662 D666 G667 L668L555-W664 HydrophobicContact CD2-CB 4.5Å; L555-W664 HydrophobicContact CD2-CD2 3.37Å; L555-W664 HydrophobicContact CD2-CE3 3.33Å; L555-W664 HydrophobicContact CD2-CG 3.97Å; L555-W664 HydrophobicContact CD2-CH2 3.94Å; L555-W664 HydrophobicContact CD2-CZ2 3.98Å; L555-W664 HydrophobicContact CD2-CZ3 3.63Å; T559-W664 PolarHBondContact OG1-NE1 3.45Å; F561-W664 HydrophobicContact CE2-CD2 4.33Å; F561-W664 AromaticContact CE2-CE2 3.85Å; F561-W664 HydrophobicContact CE2-CH2 4.22Å; F561-W664 AromaticContact CE2-CZ2 3.8Å; F561-W664 HydrophobicContact CE2-CZ2 3.8Å; F561-W664 AromaticContact CZ-CD1 3.81Å; F561-W664 AromaticContact CZ-CD2 3.63Å; F561-W664 HydrophobicContact CZ-CD2 3.63Å; F561-W664 AromaticContact CZ-CE2 3.44Å; F561-W664 VanDerWaalsContact CZ-CE2 3.44Å; F561-W664 HydrophobicContact CZ-CE3 4.22Å; F561-W664 AromaticContact CZ-CG 3.9Å; F561-W664 HydrophobicContact CZ-CG 3.9Å; F561-W664 HydrophobicContact CZ-CH2 4.45Å; F561-W664 AromaticContact CZ-CZ2 3.89Å; F561-W664 HydrophobicContact CZ-CZ2 3.89Å; F561-W664 AromaticContact CZ-NE1 3.55Å; C576-W664 HydrophobicContact CB-CH2 3.85Å; C576-W664 HydrophobicContact CB-CZ3 4.39Å; C576-W664 VanDerWaalsContact O-CH2 3.28Å; C576-W664 WeakPolarHBondContact O-CH2 3.49Å; C576-W664 VanDerWaalsContact O-CZ2 3.27Å; C576-W664 WeakPolarHBondContact O-CZ2 3.39Å; L585-W664 HydrophobicContact CD2-CZ3 4.29Å; F641-W664 HydrophobicContact CE1-CB 4.23Å; F641-W664 HydrophobicContact CE2-CB 4.1Å; F641-W664 HydrophobicContact CZ-CB 3.58Å; F641-W664 HydrophobicContact CZ-CD2 4.46Å; F641-W664 HydrophobicContact CZ-CG 4.06Å; F653-W664 HydrophobicContact CE1-CE3 4.47Å; F653-W664 HydrophobicContact CE1-CZ3 4.38Å; E660-W664 WeakPolarHBondContact O-CB 3.49Å; E660-W664 VanDerWaalsContact O-CD1 3.27Å; E660-W664 PolarHBondContact O-N 2.95Å; E660-W664 PolarHBondContact OE2-NE1 3.15Å; C662-W664 PolarHBondContact O-N 2.94Å; W664-D666 PolarHBondContact O-N 3.41Å; W664-G667 PolarHBondContact O-N 3.46Å; W664-L668 HydrophobicContact CE3-CD1 4.3Å; W664-L668 HydrophobicContact CE3-CG 4.47Å; W664-L668 VanDerWaalsContact O-CB 3.31Å; W664-L668 WeakPolarHBondContact O-CB 3.34Å; W664-L668 WeakPolarHBondContact O-CD1 3.42Å; W664-L668 WeakPolarHBondContact O-CG 3.47Å; W664-L668 PolarHBondContact O-N 2.86Å
665T96.4Very high92Very high11 Ų1139.7 Ų39.77%0.06721%0.213CC..Hα-helixtrans-63.8-42.4-179.752.10000111.7T617 F641 Y661 C662 N669T617-T665 HydrophobicContact CG2-CG2 4.05Å; F641-T665 HydrophobicContact CB-CG2 4.02Å; F641-T665 HydrophobicContact CD1-CG2 4.3Å; F641-T665 HydrophobicContact CD2-CG2 4.31Å; F641-T665 HydrophobicContact CG-CG2 3.97Å; Y661-T665 HydrophobicContact CD2-CG2 4.2Å; Y661-T665 HydrophobicContact CE1-CG2 4.44Å; Y661-T665 HydrophobicContact CE2-CG2 3.88Å; Y661-T665 WeakPolarHBondContact O-CB 3.49Å; Y661-T665 VanDerWaalsContact O-CG2 3.31Å; Y661-T665 WeakPolarHBondContact O-CG2 3.35Å; Y661-T665 PolarHBondContact O-N 3.26Å; Y661-T665 PolarHBondContact O-OG1 3.34Å; C662-T665 PolarHBondContact O-OG1 2.86Å; T665-N669 WeakPolarHBondContact O-CB 3.46Å; T665-N669 VanDerWaalsContact O-CG 3.23Å; T665-N669 PolarHBondContact O-N 2.8Å; T665-N669 PolarHBondContact O-ND2 3.46Å; T665-N669 VanDerWaalsContact O-ND2 3.12Å
666D96.8Very high92.4Very high1 Ų140.8 Ų40.81%0.00522%0.218CC..Hα-helixtrans-68.6-43.4175.3-74.5-22.8000112.2R551 C662 W664 L668 N669 A670 M676 T677 S678 T681R551-D666 HydrophobicContact CG-CB 4.43Å; C662-D666 WeakPolarHBondContact O-CB 3.5Å; C662-D666 PolarHBondContact O-N 2.75Å; W664-D666 PolarHBondContact O-N 3.41Å; D666-L668 VanDerWaalsContact C-N 3.34Å; D666-L668 PolarHBondContact O-N 2.88Å; D666-N669 PolarHBondContact O-N 2.91Å; D666-A670 WeakPolarHBondContact O-CB 3.08Å; D666-A670 PolarHBondContact O-N 3.42Å; D666-M676 HydrophobicContact CB-CB 3.87Å; D666-M676 HydrophobicContact CB-CG 3.78Å; D666-M676 HydrophobicContact CB-SD 4Å; D666-M676 WeakPolarHBondContact O-CG 3.42Å; D666-M676 WeakPolarHBondContact OD1-CA 3.41Å; D666-T677 PolarHBondContact OD1-N 3.49Å; D666-S678 PolarHBondContact OD1-N 3.32Å; D666-S678 WeakPolarHBondContact OD2-CB 3.37Å; D666-S678 PolarHBondContact OD2-OG 3.25Å; D666-T681 WeakPolarHBondContact OD2-CB 3.37Å; D666-T681 PolarHBondContact OD2-OG1 3.38Å
667G96.6Very high92.9Very high0 Ų042.3 Ų42.30%023%0.226CC..Hα-helixtrans-60.6-43.1177.100000112.3V663 W664 A670 L671V663-G667 PolarHBondContact O-N 2.6Å; W664-G667 PolarHBondContact O-N 3.46Å; G667-A670 PolarHBondContact O-N 3.44Å; G667-L671 WeakPolarHBondContact O-CG 3.39Å; G667-L671 PolarHBondContact O-N 2.98Å
668L96.6Very high93.4Very high2 Ų239.4 Ų39.41%0.0121%0.212CC..Hα-helixtrans-67.2-40.2175.6-69165.8000111.7L585 V615 F641 V643 W664 D666 A670 L671 L672L585-L668 HydrophobicContact CD1-CD2 4.12Å; V615-L668 HydrophobicContact CG1-CD1 4.36Å; V615-L668 HydrophobicContact CG2-CB 3.69Å; V615-L668 HydrophobicContact CG2-CD1 4.04Å; V615-L668 HydrophobicContact CG2-CG 4.42Å; F641-L668 HydrophobicContact CD2-CD1 4.2Å; F641-L668 HydrophobicContact CE2-CD1 3.81Å; V643-L668 HydrophobicContact CG2-CD1 3.8Å; V643-L668 HydrophobicContact CG2-CD2 4.35Å; W664-L668 HydrophobicContact CE3-CD1 4.3Å; W664-L668 HydrophobicContact CE3-CG 4.47Å; W664-L668 VanDerWaalsContact O-CB 3.31Å; W664-L668 WeakPolarHBondContact O-CB 3.34Å; W664-L668 WeakPolarHBondContact O-CD1 3.42Å; W664-L668 WeakPolarHBondContact O-CG 3.47Å; W664-L668 PolarHBondContact O-N 2.86Å; D666-L668 VanDerWaalsContact C-N 3.34Å; D666-L668 PolarHBondContact O-N 2.88Å; L668-A670 VanDerWaalsContact C-N 3.32Å; L668-A670 PolarHBondContact O-N 2.91Å; L668-L671 HydrophobicContact CD2-CD1 4.32Å; L668-L671 WeakPolarHBondContact O-CB 3.43Å; L668-L671 PolarHBondContact O-N 3.43Å; L668-L672 VanDerWaalsContact O-CG 3.28Å; L668-L672 WeakPolarHBondContact O-CG 3.46Å; L668-L672 PolarHBondContact O-N 3.19Å
669N95.4Very high93.3Very high25 Ų2538.3 Ų38.313%0.13421%0.211CC..Hα-helixtrans-60.4-44.3172.8-78.8-31.5000111T665 D666 L671 L672 G673 K674T665-N669 WeakPolarHBondContact O-CB 3.46Å; T665-N669 VanDerWaalsContact O-CG 3.23Å; T665-N669 PolarHBondContact O-N 2.8Å; T665-N669 PolarHBondContact O-ND2 3.46Å; T665-N669 VanDerWaalsContact O-ND2 3.12Å; D666-N669 PolarHBondContact O-N 2.91Å; N669-L671 PolarHBondContact O-N 3.26Å; N669-L672 CarbonylContact O-C 3.47Å; N669-L672 PolarHBondContact O-N 3.31Å; N669-L672 VanDerWaalsContact O-N 3.11Å; N669-G673 PolarHBondContact O-N 2.98Å; N669-G673 VanDerWaalsContact O-N 3.1Å; N669-K674 CarbonylContact C-O 3.52Å; N669-K674 HydrophobicContact CB-CB 3.97Å; N669-K674 WeakPolarHBondContact O-CA 3.39Å; N669-K674 WeakPolarHBondContact O-CB 2.82Å; N669-K674 PolarHBondContact O-N 3.25Å
670A94.9Very high93.4Very high8 Ų839.1 Ų39.17%0.06621%0.212CC..Hα-helixtrans-64-37.9177.900000113K548 D666 G667 L668 L672 G673 M676K548-A670 HydrophobicContact CD-CB 4.02Å; K548-A670 HydrophobicContact CG-CB 3.85Å; D666-A670 WeakPolarHBondContact O-CB 3.08Å; D666-A670 PolarHBondContact O-N 3.42Å; G667-A670 PolarHBondContact O-N 3.44Å; L668-A670 VanDerWaalsContact C-N 3.32Å; L668-A670 PolarHBondContact O-N 2.91Å; A670-L672 VanDerWaalsContact C-N 3.29Å; A670-L672 PolarHBondContact O-N 2.76Å; A670-G673 PolarHBondContact O-N 3.34Å; A670-M676 HydrophobicContact CB-CG 4.09Å; A670-M676 HydrophobicContact CB-SD 3.9Å
671L94.4Very high93.4Very high37 Ų3738.4 Ų38.419%0.19421%0.209CC..Hα-helixtrans-60.2-39.5171.4-79.4173.1000112.3L552 L555 L578 H582 V609 G667 L668 N669 G673L552-L671 HydrophobicContact CD2-CD1 4.43Å; L552-L671 HydrophobicContact CD2-CD2 3.36Å; L552-L671 HydrophobicContact CD2-CG 3.51Å; L555-L671 HydrophobicContact CD1-CD1 3.59Å; L555-L671 HydrophobicContact CD1-CG 4.28Å; L578-L671 HydrophobicContact CD1-CD1 3.98Å; L578-L671 HydrophobicContact CD2-CD1 3.93Å; L578-L671 HydrophobicContact CD2-CD2 3.94Å; L578-L671 HydrophobicContact CD2-CG 4.41Å; H582-L671 HydrophobicContact CB-CD2 3.85Å; V609-L671 HydrophobicContact CG1-CB 4.41Å; G667-L671 WeakPolarHBondContact O-CG 3.39Å; G667-L671 PolarHBondContact O-N 2.98Å; L668-L671 HydrophobicContact CD2-CD1 4.32Å; L668-L671 WeakPolarHBondContact O-CB 3.43Å; L668-L671 PolarHBondContact O-N 3.43Å; N669-L671 PolarHBondContact O-N 3.26Å; L671-G673 PolarHBondContact O-N 2.94Å
672L93.6Very high93.2Very high49 Ų4942.1 Ų42.126%0.25723%0.226SC..THydrogen-bonded Turntrans-83.54.5179.1-63175.5000113.4I612 V615 L668 N669 A670 K674I612-L672 HydrophobicContact CB-CD2 4.03Å; I612-L672 HydrophobicContact CG2-CD1 3.89Å; I612-L672 HydrophobicContact CG2-CD2 3.82Å; I612-L672 HydrophobicContact CG2-CG 4.37Å; V615-L672 HydrophobicContact CG2-CD1 4.05Å; L668-L672 VanDerWaalsContact O-CG 3.28Å; L668-L672 WeakPolarHBondContact O-CG 3.46Å; L668-L672 PolarHBondContact O-N 3.19Å; N669-L672 CarbonylContact O-C 3.47Å; N669-L672 PolarHBondContact O-N 3.31Å; N669-L672 VanDerWaalsContact O-N 3.11Å; A670-L672 VanDerWaalsContact C-N 3.29Å; A670-L672 PolarHBondContact O-N 2.76Å; L672-K674 HydrophobicContact CB-CD 4.39Å; L672-K674 HydrophobicContact CB-CG 4.26Å; L672-K674 PolarHBondContact O-N 3.45Å
673G92.3Very high92.9Very high70 Ų7045.8 Ų45.872%0.72225%0.249SC*.THydrogen-bonded Turntrans67.122.3-17700000114.2N669 A670 L671N669-G673 PolarHBondContact O-N 2.98Å; N669-G673 VanDerWaalsContact O-N 3.1Å; A670-G673 PolarHBondContact O-N 3.34Å; L671-G673 PolarHBondContact O-N 2.94Å
674K93.8Very high92.7Very high93 Ų9348.1 Ų48.140%0.40426%0.261SS..PPolyproline II helixtrans-94.3159.8174.5-62.3-179.4-178.1175.50110.7N669 L672N669-K674 CarbonylContact C-O 3.52Å; N669-K674 HydrophobicContact CB-CB 3.97Å; N669-K674 WeakPolarHBondContact O-CA 3.39Å; N669-K674 WeakPolarHBondContact O-CB 2.82Å; N669-K674 PolarHBondContact O-N 3.25Å; L672-K674 HydrophobicContact CB-CD 4.39Å; L672-K674 HydrophobicContact CB-CG 4.26Å; L672-K674 PolarHBondContact O-N 3.45Å
675E92Very high92.5Very high166 Ų16648.7 Ų48.778%0.77626%0.264SS*.PPolyproline II helixtrans-66.9141.6175.4-68.7-174.1163.400111.9T677E675-T677 HydrophobicContact CB-CG2 4.35Å
676M94.4Very high91.9Very high22 Ų2252.3 Ų52.311%0.10828%0.283CS..PPolyproline II helixtrans-85.9118.8171.3-63.5-174.5-61.600108.6M544 I547 K548 R551 D666 A670 T681M544-M676 HydrophobicContact CG-CE 4.15Å; M544-M676 HydrophobicContact SD-CE 3.4Å; M544-M676 WeakPolarHBondContact SD-CE 3.49Å; I547-M676 HydrophobicContact CB-CE 4.33Å; I547-M676 HydrophobicContact CG2-CE 3.91Å; K548-M676 HydrophobicContact CB-CE 3.94Å; K548-M676 HydrophobicContact CB-SD 4.41Å; R551-M676 HydrophobicContact CG-SD 3.95Å; D666-M676 HydrophobicContact CB-CB 3.87Å; D666-M676 HydrophobicContact CB-CG 3.78Å; D666-M676 HydrophobicContact CB-SD 4Å; D666-M676 WeakPolarHBondContact O-CG 3.42Å; D666-M676 WeakPolarHBondContact OD1-CA 3.41Å; A670-M676 HydrophobicContact CB-CG 4.09Å; A670-M676 HydrophobicContact CB-SD 3.9Å; M676-T681 HydrophobicContact CB-CG2 3.81Å; M676-T681 HydrophobicContact CE-CG2 4.2Å
677T89.3Confident91.3Very high89 Ų8955.7 Ų55.755%0.54630%0.303SS..  trans-117.3-3.5-166.558.20000114.3D666 E675D666-T677 PolarHBondContact OD1-N 3.49Å; E675-T677 HydrophobicContact CB-CG2 4.35Å
678S91.8Very high91Very high15 Ų1558.8 Ų58.811%0.10532%0.32CS..SBendtrans-64.5156.7-176.384.30000113.1D666 Y680 T681 K682D666-S678 PolarHBondContact OD1-N 3.32Å; D666-S678 WeakPolarHBondContact OD2-CB 3.37Å; D666-S678 PolarHBondContact OD2-OG 3.25Å; S678-Y680 PolarHBondContact O-N 2.88Å; S678-Y680 PolarHBondContact OG-N 2.94Å; S678-T681 PolarHBondContact O-N 3.45Å; S678-T681 PolarHBondContact OG-N 2.72Å; S678-T681 VanDerWaalsContact OG-N 3.1Å; S678-K682 PolarHBondContact O-N 3.42Å
679D85.4Confident90.6Very high88 Ų8858.8 Ų58.847%0.47132%0.32SS..Hα-helixtrans-61.7-28.9173.7-62.8-30.3000112K658 K682 T683K658-D679 IonicContact NZ-OD2 2.86Å; D679-K682 PolarHBondContact O-N 2.97Å; D679-K682 IonicContact OD1-NZ 2.94Å; D679-T683 WeakPolarHBondContact O-CB 3.31Å; D679-T683 PolarHBondContact O-N 3.32Å; D679-T683 PolarHBondContact O-OG1 3.14Å
680Y88.5Confident90Very high83 Ų8358.8 Ų58.833%0.32532%0.322SS..Hα-helixtrans-68.2-43.4175.5-86.1-92.4000111.8K658 H659 C662 S678 K682 T683 D684K658-Y680 HydrophobicContact CG-CE2 4.43Å; H659-Y680 HydrophobicContact CB-CE1 4.28Å; H659-Y680 HydrophobicContact CB-CE2 4.43Å; H659-Y680 AromaticContact ND1-CD1 3.47Å; H659-Y680 WeakPolarHBondContact ND1-CD1 3.4Å; H659-Y680 AromaticContact ND1-CE1 3.15Å; H659-Y680 WeakPolarHBondContact ND1-CE1 3.39Å; H659-Y680 AromaticContact ND1-CZ 3.72Å; C662-Y680 HydrophobicContact CB-CD2 3.75Å; C662-Y680 HydrophobicContact CB-CG 4.14Å; C662-Y680 VanDerWaalsContact SG-CD2 3.59Å; S678-Y680 PolarHBondContact O-N 2.88Å; S678-Y680 PolarHBondContact OG-N 2.94Å; Y680-K682 VanDerWaalsContact C-N 3.29Å; Y680-K682 PolarHBondContact O-N 2.86Å; Y680-T683 PolarHBondContact O-N 3.22Å; Y680-T683 VanDerWaalsContact O-N 3.15Å; Y680-D684 WeakPolarHBondContact O-CB 3.19Å; Y680-D684 PolarHBondContact O-N 3.17Å
681T92.1Very high89.5Confident3 Ų363.7 Ų63.72%0.01835%0.345CS..Hα-helixtrans-63.6-36.5176-72.20000112M544 I547 R551 D666 M676 S678 M685M544-T681 HydrophobicContact CE-CG2 4.29Å; M544-T681 HydrophobicContact SD-CG2 4.04Å; I547-T681 HydrophobicContact CG2-CG2 4.29Å; R551-T681 PolarHBondContact NH2-OG1 3.36Å; R551-T681 VanDerWaalsContact NH2-OG1 3.1Å; D666-T681 WeakPolarHBondContact OD2-CB 3.37Å; D666-T681 PolarHBondContact OD2-OG1 3.38Å; M676-T681 HydrophobicContact CB-CG2 3.81Å; M676-T681 HydrophobicContact CE-CG2 4.2Å; S678-T681 PolarHBondContact O-N 3.45Å; S678-T681 PolarHBondContact OG-N 2.72Å; S678-T681 VanDerWaalsContact OG-N 3.1Å; T681-M685 WeakPolarHBondContact O-CB 3.44Å; T681-M685 PolarHBondContact O-N 2.68Å
682K89.2Confident89.2Confident119 Ų11964 Ų6452%0.51735%0.345SS..Hα-helixtrans-63.2-44.5172.3-64.4173.5-168.31600111.7S678 D679 Y680 M685 D686S678-K682 PolarHBondContact O-N 3.42Å; D679-K682 PolarHBondContact O-N 2.97Å; D679-K682 IonicContact OD1-NZ 2.94Å; Y680-K682 VanDerWaalsContact C-N 3.29Å; Y680-K682 PolarHBondContact O-N 2.86Å; K682-M685 WeakPolarHBondContact O-CB 3.43Å; K682-M685 PolarHBondContact O-N 2.82Å; K682-D686 PolarHBondContact O-N 2.82Å
683T87.3Confident88.8Confident81 Ų8161.8 Ų61.850%0.49733%0.333SS..Hα-helixtrans-64.9-44.5179.7-53.90000111.9D679 Y680 D686 T687D679-T683 WeakPolarHBondContact O-CB 3.31Å; D679-T683 PolarHBondContact O-N 3.32Å; D679-T683 PolarHBondContact O-OG1 3.14Å; Y680-T683 PolarHBondContact O-N 3.22Å; Y680-T683 VanDerWaalsContact O-N 3.15Å; T683-D686 PolarHBondContact O-N 3.21Å; T683-T687 WeakPolarHBondContact O-CB 3.4Å; T683-T687 PolarHBondContact O-N 3.09Å; T683-T687 PolarHBondContact O-OG1 3.32Å
684D90.4Very high88.4Confident48 Ų4862.9 Ų62.926%0.25732%0.318SS..Hα-helixtrans-64-42.9176.1-72.1-12.3000110.8I547 R551 Y680 T687 L688I547-D684 HydrophobicContact CD1-CB 3.9Å; I547-D684 HydrophobicContact CG1-CB 4.18Å; R551-D684 IonicContact CZ-OD2 2.63Å; R551-D684 VanDerWaalsContact CZ-OD2 3.24Å; R551-D684 IonicContact NH1-OD2 2.9Å; R551-D684 PolarHBondContact NH1-OD2 2.95Å; R551-D684 IonicContact NH2-OD2 2.72Å; R551-D684 PolarHBondContact NH2-OD2 3.43Å; Y680-D684 WeakPolarHBondContact O-CB 3.19Å; Y680-D684 PolarHBondContact O-N 3.17Å; D684-T687 PolarHBondContact O-N 3.36Å; D684-L688 WeakPolarHBondContact O-CB 3.47Å; D684-L688 WeakPolarHBondContact O-CG 3.34Å; D684-L688 PolarHBondContact O-N 3.43Å
685M91.4Very high87.9Confident12 Ų1263.3 Ų63.36%0.05932%0.324CS..Hα-helixtrans-57-53.1174.9175.157.375.400110.6Q540 I543 M544 I547 T681 K682 T687 L689Q540-M685 HydrophobicContact CG-CE 3.91Å; Q540-M685 HydrophobicContact CG-SD 3.88Å; I543-M685 HydrophobicContact CB-CE 4.34Å; I543-M685 HydrophobicContact CB-SD 4Å; I543-M685 HydrophobicContact CG2-CE 4.19Å; I543-M685 HydrophobicContact CG2-SD 3.65Å; M544-M685 HydrophobicContact CB-CE 3.59Å; M544-M685 HydrophobicContact CE-CE 3.27Å; M544-M685 HydrophobicContact CG-CE 4.2Å; M544-M685 HydrophobicContact SD-CE 3.74Å; I547-M685 HydrophobicContact CD1-CB 3.93Å; I547-M685 HydrophobicContact CD1-CE 4.2Å; T681-M685 WeakPolarHBondContact O-CB 3.44Å; T681-M685 PolarHBondContact O-N 2.68Å; K682-M685 WeakPolarHBondContact O-CB 3.43Å; K682-M685 PolarHBondContact O-N 2.82Å; M685-T687 VanDerWaalsContact C-N 3.31Å; M685-T687 PolarHBondContact O-N 3.12Å; M685-L689 WeakPolarHBondContact O-CB 3.34Å; M685-L689 PolarHBondContact O-N 3.37Å; M685-L689 HydrophobicContact SD-CB 4.33Å; M685-L689 HydrophobicContact SD-CD2 4.13Å
686D84Confident87.6Confident87 Ų8760.6 Ų60.647%0.46531%0.307SS..Hα-helixtrans-61.4-40.3179.8-77.6-30.3000112.1R536 K682 T683 S690R536-D686 IonicContact NH2-OD1 3.5Å; R536-D686 PolarHBondContact NH2-OD1 2.89Å; R536-D686 VanDerWaalsContact NH2-OD1 3.08Å; K682-D686 PolarHBondContact O-N 2.82Å; T683-D686 PolarHBondContact O-N 3.21Å; D686-S690 WeakPolarHBondContact O-CB 3.38Å; D686-S690 PolarHBondContact O-N 3.18Å
687T84.6Confident87Confident72 Ų7261 Ų6144%0.44231%0.31SS..Hα-helixtrans-68-53.6-178.9-560000111.7T683 D684 M685 S690 M691T683-T687 WeakPolarHBondContact O-CB 3.4Å; T683-T687 PolarHBondContact O-N 3.09Å; T683-T687 PolarHBondContact O-OG1 3.32Å; D684-T687 PolarHBondContact O-N 3.36Å; M685-T687 VanDerWaalsContact C-N 3.31Å; M685-T687 PolarHBondContact O-N 3.12Å; T687-S690 WeakPolarHBondContact O-CB 3.37Å; T687-S690 PolarHBondContact O-N 3.12Å; T687-M691 HydrophobicContact CG2-SD 4.32Å; T687-M691 WeakPolarHBondContact O-CG 3.46Å; T687-M691 PolarHBondContact O-N 3.2Å
688L89.9Confident86.7Confident66 Ų6661.1 Ų61.135%0.34631%0.306SS..Hα-helixtrans-67.6-40.6-177.6-68.3176.4000111.4I543 I547 D684 S690 M691 E692I543-L688 HydrophobicContact CG2-CB 3.63Å; I543-L688 HydrophobicContact CG2-CD1 4.29Å; I547-L688 HydrophobicContact CD1-CD1 4.29Å; I547-L688 HydrophobicContact CG1-CD1 3.73Å; D684-L688 WeakPolarHBondContact O-CB 3.47Å; D684-L688 WeakPolarHBondContact O-CG 3.34Å; D684-L688 PolarHBondContact O-N 3.43Å; L688-S690 VanDerWaalsContact C-N 3.34Å; L688-M691 PolarHBondContact O-N 3.5Å; L688-E692 WeakPolarHBondContact O-CB 3.46Å; L688-E692 PolarHBondContact O-N 2.9Å
689L88.3Confident85.8Confident2 Ų267.4 Ų67.41%0.0134%0.339CS..Hα-helixtrans-64-41.6175.1-172.757.9000110.8R536 I539 I543 M685 M691 E692 M693R536-L689 HydrophobicContact CG-CD1 4.06Å; R536-L689 HydrophobicContact CG-CD2 3.51Å; R536-L689 HydrophobicContact CG-CG 3.87Å; R536-L689 VanDerWaalsContact NE-CD2 3.29Å; I539-L689 HydrophobicContact CB-CD1 4.14Å; I539-L689 HydrophobicContact CG2-CD1 3.77Å; I543-L689 HydrophobicContact CG1-CD1 4.11Å; M685-L689 WeakPolarHBondContact O-CB 3.34Å; M685-L689 PolarHBondContact O-N 3.37Å; M685-L689 HydrophobicContact SD-CB 4.33Å; M685-L689 HydrophobicContact SD-CD2 4.13Å; L689-M691 PolarHBondContact O-N 3.3Å; L689-E692 PolarHBondContact O-N 2.98Å; L689-M693 HydrophobicContact CD1-CG 4.15Å; L689-M693 HydrophobicContact CG-CG 4.37Å; L689-M693 WeakPolarHBondContact O-CB 3.46Å; L689-M693 WeakPolarHBondContact O-CG 3.45Å; L689-M693 PolarHBondContact O-N 3.24Å
690S82.8Confident85.4Confident24 Ų2466.7 Ų66.717%0.16833%0.334CS..Hα-helixtrans-59.9-45.5173.7-174.60000111.6F527 D686 T687 L688 M693 K694F527-S690 VanDerWaalsContact CE2-OG 3.27Å; F527-S690 WeakPolarHBondContact CE2-OG 3.41Å; F527-S690 WeakPolarHBondContact CZ-O 3.29Å; D686-S690 WeakPolarHBondContact O-CB 3.38Å; D686-S690 PolarHBondContact O-N 3.18Å; T687-S690 WeakPolarHBondContact O-CB 3.37Å; T687-S690 PolarHBondContact O-N 3.12Å; L688-S690 VanDerWaalsContact C-N 3.34Å; S690-M693 PolarHBondContact O-N 3.03Å; S690-K694 WeakPolarHBondContact O-CG 3.34Å; S690-K694 PolarHBondContact O-N 3.29Å
691M84.4Confident84.5Confident112 Ų11269.1 Ų69.155%0.55235%0.349SS*.Hα-helixtrans-63.2-48.9178-71.8177.263.700112.5T687 L688 L689 M693 K694 L695T687-M691 HydrophobicContact CG2-SD 4.32Å; T687-M691 WeakPolarHBondContact O-CG 3.46Å; T687-M691 PolarHBondContact O-N 3.2Å; L688-M691 PolarHBondContact O-N 3.5Å; L689-M691 PolarHBondContact O-N 3.3Å; M691-M693 VanDerWaalsContact C-N 3.32Å; M691-M693 PolarHBondContact O-N 3.47Å; M691-K694 WeakPolarHBondContact O-CB 3.42Å; M691-K694 PolarHBondContact O-N 3Å; M691-K694 VanDerWaalsContact O-N 3.17Å; M691-L695 PolarHBondContact O-N 3.06Å
692E88.8Confident83.5Confident44 Ų4476.9 Ų76.921%0.20639%0.39CS..Hα-helixtrans-62.6-42179.3-175.860.2-158.600111I539 I543 L688 L689 K694 L695 R696I539-E692 HydrophobicContact CD1-CG 4.47Å; I539-E692 HydrophobicContact CG2-CG 3.87Å; I543-E692 HydrophobicContact CD1-CB 3.94Å; I543-E692 HydrophobicContact CD1-CG 4.16Å; L688-E692 WeakPolarHBondContact O-CB 3.46Å; L688-E692 PolarHBondContact O-N 2.9Å; L689-E692 PolarHBondContact O-N 2.98Å; E692-K694 VanDerWaalsContact C-N 3.33Å; E692-K694 PolarHBondContact O-N 2.75Å; E692-L695 WeakPolarHBondContact O-CB 3.29Å; E692-L695 PolarHBondContact O-N 3.43Å; E692-L695 VanDerWaalsContact O-N 3.14Å; E692-R696 HydrophobicContact CG-CG 4.48Å; E692-R696 WeakPolarHBondContact O-CG 3.47Å; E692-R696 PolarHBondContact O-N 3.42Å; E692-R696 IonicContact OE1-CZ 2.71Å; E692-R696 IonicContact OE1-NE 3.24Å; E692-R696 PolarHBondContact OE1-NE 3.38Å; E692-R696 IonicContact OE1-NH2 3.69Å; E692-R696 PolarHBondContact OE1-NH2 3.48Å
693M84.9Confident82.9Confident1 Ų176 Ų761%0.00539%0.39CS..Hα-helixtrans-63-38.7175.9-70-68.1-59.100111.7F527 I532 L535 R536 I539 L689 S690 M691 L695 R696 L697F527-M693 HydrophobicContact CD1-CB 3.64Å; F527-M693 HydrophobicContact CD1-CE 4.22Å; F527-M693 HydrophobicContact CD1-CG 4.19Å; F527-M693 HydrophobicContact CE1-CB 3.17Å; F527-M693 HydrophobicContact CE1-CG 4.18Å; F527-M693 HydrophobicContact CZ-CB 4.04Å; I532-M693 HydrophobicContact CB-CE 4.33Å; I532-M693 HydrophobicContact CG2-CE 3.27Å; I532-M693 WeakPolarHBondContact O-CE 3.45Å; L535-M693 HydrophobicContact CB-CE 4.16Å; L535-M693 HydrophobicContact CB-SD 4.45Å; L535-M693 HydrophobicContact CD2-CE 3.9Å; L535-M693 HydrophobicContact CD2-SD 4.09Å; L535-M693 HydrophobicContact CG-CE 4.08Å; L535-M693 HydrophobicContact CG-SD 3.93Å; R536-M693 HydrophobicContact CB-CE 4.33Å; R536-M693 HydrophobicContact CB-SD 4.21Å; I539-M693 HydrophobicContact CD1-SD 3.8Å; L689-M693 HydrophobicContact CD1-CG 4.15Å; L689-M693 HydrophobicContact CG-CG 4.37Å; L689-M693 WeakPolarHBondContact O-CB 3.46Å; L689-M693 WeakPolarHBondContact O-CG 3.45Å; L689-M693 PolarHBondContact O-N 3.24Å; S690-M693 PolarHBondContact O-N 3.03Å; M691-M693 VanDerWaalsContact C-N 3.32Å; M691-M693 PolarHBondContact O-N 3.47Å; M693-L695 VanDerWaalsContact C-N 3.35Å; M693-L695 PolarHBondContact O-N 3.02Å; M693-R696 PolarHBondContact O-N 2.69Å; M693-L697 HydrophobicContact CE-CD1 4.44Å; M693-L697 WeakPolarHBondContact O-CB 3.44Å; M693-L697 WeakPolarHBondContact O-CG 3.12Å; M693-L697 PolarHBondContact O-N 3.15Å
694K82.4Confident82.3Confident93 Ų9381 Ų8140%0.40441%0.408SS..Hα-helixtrans-59.1-46.5171.5-71.9179.2-178.6-177.80111.4N523 F527 S690 M691 E692 R696 L697 L698N523-K694 WeakPolarHBondContact OD1-CE 3.42Å; N523-K694 PolarHBondContact OD1-NZ 3.39Å; F527-K694 HydrophobicContact CZ-CG 3.89Å; S690-K694 WeakPolarHBondContact O-CG 3.34Å; S690-K694 PolarHBondContact O-N 3.29Å; M691-K694 WeakPolarHBondContact O-CB 3.42Å; M691-K694 PolarHBondContact O-N 3Å; M691-K694 VanDerWaalsContact O-N 3.17Å; E692-K694 VanDerWaalsContact C-N 3.33Å; E692-K694 PolarHBondContact O-N 2.75Å; K694-R696 PolarHBondContact O-N 3.02Å; K694-L697 CarbonylContact O-C 3.59Å; K694-L697 PolarHBondContact O-N 3.05Å; K694-L698 WeakPolarHBondContact O-CG 3.34Å; K694-L698 PolarHBondContact O-N 2.68Å
695L84.7Confident81.7Confident102 Ų10281.2 Ų81.253%0.53441%0.408SS..Hα-helixtrans-59.5-46.2179.5-68.7174.5000111.9M691 E692 M693 L697 L698M691-L695 PolarHBondContact O-N 3.06Å; E692-L695 WeakPolarHBondContact O-CB 3.29Å; E692-L695 PolarHBondContact O-N 3.43Å; E692-L695 VanDerWaalsContact O-N 3.14Å; M693-L695 VanDerWaalsContact C-N 3.35Å; M693-L695 PolarHBondContact O-N 3.02Å; L695-L697 PolarHBondContact O-N 3.38Å; L695-L698 HydrophobicContact CD2-CD1 3.77Å; L695-L698 WeakPolarHBondContact O-CB 3.19Å; L695-L698 PolarHBondContact O-N 3.12Å
696R84.8Confident81.1Confident109 Ų10983.7 Ų83.741%0.41143%0.426SS..Hα-helixtrans-66.7-24.5178.5-62-68.4177.294.38.2113.2L535 I539 E542 E692 M693 K694L535-R696 HydrophobicContact CD2-CB 4.3Å; I539-R696 HydrophobicContact CD1-CG 4.04Å; E542-R696 IonicContact OE2-NH2 3.93Å; E692-R696 HydrophobicContact CG-CG 4.48Å; E692-R696 WeakPolarHBondContact O-CG 3.47Å; E692-R696 PolarHBondContact O-N 3.42Å; E692-R696 IonicContact OE1-CZ 2.71Å; E692-R696 IonicContact OE1-NE 3.24Å; E692-R696 PolarHBondContact OE1-NE 3.38Å; E692-R696 IonicContact OE1-NH2 3.69Å; E692-R696 PolarHBondContact OE1-NH2 3.48Å; M693-R696 PolarHBondContact O-N 2.69Å; K694-R696 PolarHBondContact O-N 3.02Å
697L82.6Confident80.8Confident31 Ų3187.7 Ų87.716%0.16244%0.441CS..Hα-helixtrans-96.5-2.2179.9-63.3175.4000113.3F527 I532 M693 K694 L695 D699 L700 E701 I705F527-L697 HydrophobicContact CE1-CD1 4.29Å; I532-L697 HydrophobicContact CD1-CD1 4.18Å; I532-L697 HydrophobicContact CG1-CD1 4.41Å; I532-L697 HydrophobicContact CG2-CD1 4.26Å; M693-L697 HydrophobicContact CE-CD1 4.44Å; M693-L697 WeakPolarHBondContact O-CB 3.44Å; M693-L697 WeakPolarHBondContact O-CG 3.12Å; M693-L697 PolarHBondContact O-N 3.15Å; K694-L697 CarbonylContact O-C 3.59Å; K694-L697 PolarHBondContact O-N 3.05Å; L695-L697 PolarHBondContact O-N 3.38Å; L697-D699 VanDerWaalsContact C-N 3.31Å; L697-D699 PolarHBondContact O-N 3.26Å; L697-L700 HydrophobicContact CD2-CD1 4.11Å; L697-L700 CarbonylContact O-C 3.53Å; L697-L700 WeakPolarHBondContact O-CA 3.41Å; L697-L700 PolarHBondContact O-N 3.46Å; L697-E701 PolarHBondContact O-N 3.08Å; L697-I705 HydrophobicContact CD2-CD1 3.99Å
698L82.2Confident80.5Confident91 Ų9187.7 Ų87.748%0.47645%0.449SS..G310 helixtrans-55.2-44.8178.6-82.3168.8000112.2K694 L695 L700 E701K694-L698 WeakPolarHBondContact O-CG 3.34Å; K694-L698 PolarHBondContact O-N 2.68Å; L695-L698 HydrophobicContact CD2-CD1 3.77Å; L695-L698 WeakPolarHBondContact O-CB 3.19Å; L695-L698 PolarHBondContact O-N 3.12Å; L698-L700 PolarHBondContact O-N 2.94Å; L698-L700 VanDerWaalsContact O-N 3.16Å; L698-E701 VanDerWaalsContact O-CB 3.22Å; L698-E701 WeakPolarHBondContact O-CB 3.19Å; L698-E701 PolarHBondContact O-N 2.99Å; L698-E701 VanDerWaalsContact O-N 3.1Å
699D73.9Confident80.1Confident147 Ų14789.9 Ų89.979%0.78647%0.467SS*.G310 helixtrans-68.6-13.8179.8-65.1-27000113L697L697-D699 VanDerWaalsContact C-N 3.31Å; L697-D699 PolarHBondContact O-N 3.26Å
700L75.3Confident80Confident73 Ų7394.4 Ų94.438%0.38250%0.496SS..G310 helixtrans-106.210.8177.9-59.1175.6000112L697 L698 N702 I703 I705L697-L700 HydrophobicContact CD2-CD1 4.11Å; L697-L700 CarbonylContact O-C 3.53Å; L697-L700 WeakPolarHBondContact O-CA 3.41Å; L697-L700 PolarHBondContact O-N 3.46Å; L698-L700 PolarHBondContact O-N 2.94Å; L698-L700 VanDerWaalsContact O-N 3.16Å; L700-N702 PolarHBondContact O-N 3.5Å; L700-I703 HydrophobicContact CD2-CD1 4.27Å; L700-I703 WeakPolarHBondContact O-CB 3.34Å; L700-I703 PolarHBondContact O-N 2.83Å; L700-I705 HydrophobicContact CD1-CD1 4.49Å; L700-I705 HydrophobicContact CD1-CG1 4.44Å
701E69.9Low80.3Confident135 Ų13599 Ų9963%0.63153%0.526SS*.THydrogen-bonded Turntrans-62122.5179.1-162.8176.4-163.700110L697 L698 I703L697-E701 PolarHBondContact O-N 3.08Å; L698-E701 VanDerWaalsContact O-CB 3.22Å; L698-E701 WeakPolarHBondContact O-CB 3.19Å; L698-E701 PolarHBondContact O-N 2.99Å; L698-E701 VanDerWaalsContact O-N 3.1Å; E701-I703 VanDerWaalsContact C-N 3.25Å; E701-I703 PolarHBondContact O-N 3.39Å
702N71.3Confident80.6Confident166 Ų166101.5 Ų101.589%0.88854%0.54SS*.THydrogen-bonded Turntrans68.88.7-171.4-45.8-72.4000116.2L700L700-N702 PolarHBondContact O-N 3.5Å
703I76.1Confident80.6Confident101 Ų101104.7 Ų104.752%0.51856%0.564SS.*SBendtrans-96.5125.8170.6-56.4-176.2000108.6L700 E701 I705L700-I703 HydrophobicContact CD2-CD1 4.27Å; L700-I703 WeakPolarHBondContact O-CB 3.34Å; L700-I703 PolarHBondContact O-N 2.83Å; E701-I703 VanDerWaalsContact C-N 3.25Å; E701-I703 PolarHBondContact O-N 3.39Å; I703-I705 PolarHBondContact O-N 3.2Å; I703-I705 VanDerWaalsContact O-N 3.12Å
704Q75.5Confident80.7Confident186 Ų186114.3 Ų114.387%0.86961%0.606SS**  trans-69.1113.5178.4-172.2158.10.900110.4P706Q704-P706 WeakPolarHBondContact O-CD 3.37Å
705I77.9Confident81Confident51 Ų51116.1 Ų116.126%0.26262%0.616SS.*  trans-72.2119.9178.6-63.1168.2000108.3P531 I532 L697 L700 I703P531-I705 HydrophobicContact CB-CG2 4.21Å; P531-I705 HydrophobicContact CG-CG2 4.16Å; I532-I705 HydrophobicContact CD1-CD1 3.64Å; I532-I705 HydrophobicContact CG1-CD1 4.07Å; L697-I705 HydrophobicContact CD2-CD1 3.99Å; L700-I705 HydrophobicContact CD1-CD1 4.49Å; L700-I705 HydrophobicContact CD1-CG1 4.44Å; I703-I705 PolarHBondContact O-N 3.2Å; I703-I705 VanDerWaalsContact O-N 3.12Å
706P77.9Confident81.1Confident65 Ų65115.5 Ų115.542%0.42262%0.618SS.*  trans-72.3133.1-177.730-34.5000110.6P531 Q704 A708 P710P531-P706 WeakPolarHBondContact CG-O 3.48Å; Q704-P706 WeakPolarHBondContact O-CD 3.37Å; P706-A708 PolarHBondContact O-N 2.84Å; P706-P710 HydrophobicContact CG-CG 4.42Å
707E77.4Confident81.2Confident170 Ų170116.6 Ų116.679%0.79464%0.642SS**SBendtrans-61.6-29.9177.7-69.2-171.916800113
708A80.3Confident81.2Confident73 Ų73118.9 Ų118.960%0.60366%0.655SS**SBendtrans-113.2126.4173.800000109.6P706P706-A708 PolarHBondContact O-N 2.84Å
709P81.1Confident81.4Confident111 Ų111121.7 Ų121.772%0.72166%0.66SS**PPolyproline II helixtrans-61.1131177.823.9-31.7000110
710P85.5Confident81.8Confident97 Ų97120.8 Ų120.863%0.6366%0.655SS**PPolyproline II helixtrans-55.5142.7174.3-2433.3000110.8P706 I712P706-P710 HydrophobicContact CG-CG 4.42Å; P710-I712 PolarHBondContact O-N 2.94Å
711P89.3Confident82.2Confident121 Ų121124.7 Ų124.779%0.78667%0.669SS**PPolyproline II helixtrans-62.9135.2179.426.7-33.7000110.1P713P711-P713 WeakPolarHBondContact O-CD 3.16Å
712I90.1Very high82.6Confident164 Ų164124.5 Ų124.584%0.84168%0.677SS**PPolyproline II helixtrans-64.2122.3171.1-57.2176.7000107.2P710P710-I712 PolarHBondContact O-N 2.94Å
713P89.6Confident82.9Confident111 Ų111125.5 Ų125.572%0.72167%0.67SS**PPolyproline II helixtrans-57157.3175.9-2434.2000111.5P711 E715P711-P713 WeakPolarHBondContact O-CD 3.16Å; P713-E715 PolarHBondContact O-N 3.48Å
714K87.4Confident83.1Confident204 Ų204128 Ų12889%0.88768%0.684SS**PPolyproline II helixtrans-57.6141.7172.8-70.2-175.5179.4-178.80109.7
715E87.4Confident82.7Confident130 Ų130125.3 Ų125.361%0.60769%0.685SS**PPolyproline II helixtrans-53.3138.2173.6-168.5171.1-163.900110P713 Y719P713-E715 PolarHBondContact O-N 3.48Å; E715-Y719 VanDerWaalsContact CD-OH 3.31Å; E715-Y719 HydrophobicContact CG-CE1 4.46Å; E715-Y719 WeakPolarHBondContact OE1-CE1 3.37Å; E715-Y719 VanDerWaalsContact OE1-CZ 3.22Å; E715-Y719 PolarHBondContact OE1-OH 2.81Å
716P87.1Confident81.5Confident90 Ų90133.9 Ų133.958%0.58473%0.731SS**PPolyproline II helixtrans-53.2146.6175.1-26.335.3000111.5N718P716-N718 WeakPolarHBondContact CB-O 3.31Å; P716-N718 PolarHBondContact O-N 3.31Å; P716-N718 VanDerWaalsContact O-N 3.14Å
717S86.8Confident81.6Confident131 Ų131137.4 Ų137.492%0.91675%0.747SS**SBendtrans-66.1-14.7-179.345.70000114.2
718N83.9Confident81.9Confident79 Ų79135.6 Ų135.642%0.42274%0.744SS.*SBendtrans-146156.6177.858.1-5.9000110.4P716 D720P716-N718 WeakPolarHBondContact CB-O 3.31Å; P716-N718 PolarHBondContact O-N 3.31Å; P716-N718 VanDerWaalsContact O-N 3.14Å; N718-D720 VanDerWaalsContact C-N 3.26Å; N718-D720 PolarHBondContact ND2-OD2 3.01Å; N718-D720 PolarHBondContact O-N 3.4Å
719Y86.4Confident82Confident150 Ų150139.1 Ų139.159%0.58875%0.752SS**  trans-94.828.7175-58.8-72.5000112E715 F721E715-Y719 VanDerWaalsContact CD-OH 3.31Å; E715-Y719 HydrophobicContact CG-CE1 4.46Å; E715-Y719 WeakPolarHBondContact OE1-CE1 3.37Å; E715-Y719 VanDerWaalsContact OE1-CZ 3.22Å; E715-Y719 PolarHBondContact OE1-OH 2.81Å; Y719-F721 VanDerWaalsContact C-N 3.26Å; Y719-F721 HydrophobicContact CD1-CZ 4.12Å; Y719-F721 WeakPolarHBondContact O-CD2 3.46Å; Y719-F721 WeakPolarHBondContact O-CE2 3.23Å; Y719-F721 PolarHBondContact O-N 2.7Å
720D82.6Confident82Confident128 Ų128140.8 Ų140.868%0.68475%0.754SS**  trans-78.880.6173.7-63.8-32.8000108N718 V722N718-D720 VanDerWaalsContact C-N 3.26Å; N718-D720 PolarHBondContact ND2-OD2 3.01Å; N718-D720 PolarHBondContact O-N 3.4Å; D720-V722 PolarHBondContact O-N 3.3Å
721F83.1Confident81.8Confident155 Ų155143.5 Ų143.568%0.6876%0.761SS**  trans-61.7137.5-177.6-60.5-75.9000110.8Y719 Y723Y719-F721 VanDerWaalsContact C-N 3.26Å; Y719-F721 HydrophobicContact CD1-CZ 4.12Å; Y719-F721 WeakPolarHBondContact O-CD2 3.46Å; Y719-F721 WeakPolarHBondContact O-CE2 3.23Å; Y719-F721 PolarHBondContact O-N 2.7Å; F721-Y723 PolarHBondContact O-N 3.02Å
722V77.1Confident81.3Confident131 Ų131145 Ų14579%0.79476%0.76SS**SBendtrans-66.8-21.8-178.6179.60000112.2D720D720-V722 PolarHBondContact O-N 3.3Å
723Y78.3Confident80.7Confident187 Ų187143.6 Ų143.673%0.73375%0.754SS**SBendtrans-127.1134177.4-60.5-76.8000109.2F721 C725F721-Y723 PolarHBondContact O-N 3.02Å; Y723-C725 PolarHBondContact O-N 3.03Å
724D79.9Confident80Confident153 Ų153146.2 Ų146.282%0.81876%0.757SS**  trans-71113.2167.9-68.2-34.1000108.6N726D724-N726 PolarHBondContact O-N 2.89Å
725C67.5Low79.4Confident131 Ų131141.3 Ų141.389%0.88575%0.746SS**  trans-85.394.7167.6-73.20000108.4Y723Y723-C725 PolarHBondContact O-N 3.03Å
726N52.3Low78.6Confident231 Ų231142.4 Ų142.4100%1.23576%0.758SS**  trans-790167.7-87.3-22.1000111.9D724D724-N726 PolarHBondContact O-N 2.89Å

Retrieved 726 of 726 residues in 1778.2 ms (Link to these results)

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