G4VFM1_SCHMA Loading...

Inhibitor of growth protein

Component of an histone acetyltransferase complex.

AlphaFold DB , UniProt , Accession G4VFM1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 217 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
1M64.5Low80Confident197 Ų197101.4 Ų101.497%0.9748%0.482SS*.  0-52.70-63.8-55-82.700110.8Y3 L4 Q5M1-Y3 PolarHBondContact O-N 3.38Å; M1-L4 PolarHBondContact O-N 3.31Å; M1-Q5 PolarHBondContact O-N 3.36Å; M1-Q5 VanDerWaalsContact O-N 3.09Å
2E82.9Confident80.5Confident168 Ų168104.3 Ų104.379%0.78550%0.495SS*.Hα-helixtrans-54-42.9-179.8-68.4-178.9163.500115.2Q5 K6E2-Q5 PolarHBondContact O-N 3.24Å; E2-K6 WeakPolarHBondContact O-CB 3.39Å; E2-K6 PolarHBondContact O-N 3.15Å
3Y79.7Confident80.9Confident75 Ų75106.8 Ų106.829%0.29451%0.506SS..Hα-helixtrans-61.1-47.5178.3169.2-89.1000112.4M1 Q5 K6 Y7 D100 F104M1-Y3 PolarHBondContact O-N 3.38Å; Y3-Q5 VanDerWaalsContact C-N 3.27Å; Y3-Q5 PolarHBondContact O-N 3.4Å; Y3-K6 PolarHBondContact O-N 3.09Å; Y3-Y7 WeakPolarHBondContact O-CB 3.23Å; Y3-Y7 PolarHBondContact O-N 3.19Å; Y3-D100 HydrophobicContact CE2-CB 4.12Å; Y3-D100 WeakPolarHBondContact CE2-OD2 3.44Å; Y3-D100 VanDerWaalsContact CZ-OD2 3.3Å; Y3-D100 WeakPolarHBondContact OH-CB 3.44Å; Y3-D100 PolarHBondContact OH-OD2 2.96Å; Y3-F104 AromaticContact CD1-CE2 3.66Å; Y3-F104 HydrophobicContact CD1-CE2 3.66Å; Y3-F104 AromaticContact CD1-CZ 3.55Å; Y3-F104 HydrophobicContact CD1-CZ 3.55Å; Y3-F104 HydrophobicContact CD2-CE2 4.34Å; Y3-F104 AromaticContact CD2-CZ 3.89Å; Y3-F104 HydrophobicContact CD2-CZ 3.89Å; Y3-F104 AromaticContact CE1-CE2 3.5Å; Y3-F104 HydrophobicContact CE1-CE2 3.5Å; Y3-F104 AromaticContact CE1-CZ 3.88Å; Y3-F104 HydrophobicContact CE1-CZ 3.88Å; Y3-F104 HydrophobicContact CE2-CE2 4.17Å; Y3-F104 HydrophobicContact CE2-CZ 4.16Å; Y3-F104 HydrophobicContact CG-CE2 4.12Å; Y3-F104 AromaticContact CG-CZ 3.59Å; Y3-F104 HydrophobicContact CG-CZ 3.59Å; Y3-F104 AromaticContact CZ-CE2 3.79Å
4L77.8Confident81.5Confident100 Ų100100.9 Ų100.952%0.52448%0.479SS..Hα-helixtrans-63.7-39.3-179.7-177.366000110.3M1 Y7 M8M1-L4 PolarHBondContact O-N 3.31Å; L4-Y7 PolarHBondContact O-N 3.2Å; L4-M8 HydrophobicContact CD1-CG 4.49Å; L4-M8 HydrophobicContact CG-CG 4.43Å; L4-M8 WeakPolarHBondContact O-CB 3.07Å; L4-M8 WeakPolarHBondContact O-CG 3.41Å; L4-M8 PolarHBondContact O-N 3.41Å
5Q80.1Confident82.3Confident116 Ų11697.9 Ų97.954%0.54247%0.471SS..Hα-helixtrans-62.4-47.2176.2-171.9172.6-9.600111.5M1 E2 Y3 Y7 M8 E9M1-Q5 PolarHBondContact O-N 3.36Å; M1-Q5 VanDerWaalsContact O-N 3.09Å; E2-Q5 PolarHBondContact O-N 3.24Å; Y3-Q5 VanDerWaalsContact C-N 3.27Å; Y3-Q5 PolarHBondContact O-N 3.4Å; Q5-Y7 VanDerWaalsContact C-N 3.33Å; Q5-Y7 PolarHBondContact O-N 3.48Å; Q5-M8 PolarHBondContact O-N 3.35Å; Q5-E9 WeakPolarHBondContact O-CG 3.48Å; Q5-E9 PolarHBondContact O-N 3.11Å
6K82.5Confident82.9Confident124 Ų12495.7 Ų95.754%0.53947%0.467SS..Hα-helixtrans-60.8-41.1175.2-175.3176.7179.8177.90112.5E2 Y3 E9 D10E2-K6 WeakPolarHBondContact O-CB 3.39Å; E2-K6 PolarHBondContact O-N 3.15Å; Y3-K6 PolarHBondContact O-N 3.09Å; K6-E9 PolarHBondContact O-N 3.1Å; K6-D10 VanDerWaalsContact O-CG 3.27Å; K6-D10 PolarHBondContact O-N 3.48Å
7Y83Confident83.4Confident15 Ų1594.4 Ų94.46%0.05946%0.46CS..Hα-helixtrans-65.4-40.9177-176.7-97.8000111.8Y3 L4 Q5 D10 L11 L97Y3-Y7 WeakPolarHBondContact O-CB 3.23Å; Y3-Y7 PolarHBondContact O-N 3.19Å; L4-Y7 PolarHBondContact O-N 3.2Å; Q5-Y7 VanDerWaalsContact C-N 3.33Å; Q5-Y7 PolarHBondContact O-N 3.48Å; Y7-D10 PolarHBondContact O-N 3.21Å; Y7-L11 HydrophobicContact CD1-CD1 3.97Å; Y7-L11 HydrophobicContact CD1-CG 4.23Å; Y7-L11 HydrophobicContact CE1-CD1 3.18Å; Y7-L11 HydrophobicContact CE1-CD2 4.39Å; Y7-L11 HydrophobicContact CE1-CG 3.64Å; Y7-L11 HydrophobicContact CE2-CG 4.46Å; Y7-L11 WeakPolarHBondContact O-CG 3.47Å; Y7-L11 PolarHBondContact O-N 3.01Å; Y7-L97 HydrophobicContact CD1-CD2 4.02Å; Y7-L97 HydrophobicContact CD2-CD2 4.14Å; Y7-L97 HydrophobicContact CE1-CD1 4.01Å; Y7-L97 HydrophobicContact CE1-CD2 3.47Å; Y7-L97 VanDerWaalsContact CE1-CD2 3.47Å; Y7-L97 HydrophobicContact CE1-CG 3.91Å; Y7-L97 HydrophobicContact CE2-CD2 3.63Å; Y7-L97 HydrophobicContact CE2-CG 3.71Å; Y7-L97 HydrophobicContact CG-CD2 4.34Å; Y7-L97 WeakPolarHBondContact OH-CD1 3.29Å; Y7-L97 WeakPolarHBondContact OH-CG 3.49Å
8M82.3Confident84Confident118 Ų11890.4 Ų90.458%0.58144%0.441SS*.Hα-helixtrans-64.5-41174.7-70.9-71.5-64.900112.2L4 Q5 L11 E12L4-M8 HydrophobicContact CD1-CG 4.49Å; L4-M8 HydrophobicContact CG-CG 4.43Å; L4-M8 WeakPolarHBondContact O-CB 3.07Å; L4-M8 WeakPolarHBondContact O-CG 3.41Å; L4-M8 PolarHBondContact O-N 3.41Å; Q5-M8 PolarHBondContact O-N 3.35Å; M8-L11 CarbonylContact O-C 3.48Å; M8-L11 PolarHBondContact O-N 3.45Å; M8-E12 PolarHBondContact O-N 3.32Å
9E82.4Confident84.6Confident94 Ų9493.1 Ų93.144%0.43945%0.446SS..Hα-helixtrans-61.3-42.4174.2-74.5169.1-168.700111.5Q5 K6 L11 E12 H13Q5-E9 WeakPolarHBondContact O-CG 3.48Å; Q5-E9 PolarHBondContact O-N 3.11Å; K6-E9 PolarHBondContact O-N 3.1Å; E9-L11 VanDerWaalsContact C-N 3.31Å; E9-L11 PolarHBondContact O-N 3.27Å; E9-E12 WeakPolarHBondContact O-CB 3.49Å; E9-E12 PolarHBondContact O-N 3.1Å; E9-H13 PolarHBondContact O-ND1 3.05Å
10D79.5Confident85.1Confident66 Ų6694 Ų9435%0.35345%0.449SS..Hα-helixtrans-65-36.3175.8-71-25.4000111.8K6 Y7 R96K6-D10 VanDerWaalsContact O-CG 3.27Å; K6-D10 PolarHBondContact O-N 3.48Å; Y7-D10 PolarHBondContact O-N 3.21Å; D10-R96 IonicContact OD2-CZ 2.63Å; D10-R96 IonicContact OD2-NH1 3.45Å; D10-R96 PolarHBondContact OD2-NH1 3.29Å; D10-R96 IonicContact OD2-NH2 3.37Å; D10-R96 PolarHBondContact OD2-NH2 3.09Å
11L85.1Confident85.6Confident42 Ų4290.8 Ų90.822%0.2243%0.434CS..Hα-helixtrans-76.1-22.1176.4-77.3-167.6000114Y7 M8 E9 H13 L14 P15 Q93Y7-L11 HydrophobicContact CD1-CD1 3.97Å; Y7-L11 HydrophobicContact CD1-CG 4.23Å; Y7-L11 HydrophobicContact CE1-CD1 3.18Å; Y7-L11 HydrophobicContact CE1-CD2 4.39Å; Y7-L11 HydrophobicContact CE1-CG 3.64Å; Y7-L11 HydrophobicContact CE2-CG 4.46Å; Y7-L11 WeakPolarHBondContact O-CG 3.47Å; Y7-L11 PolarHBondContact O-N 3.01Å; M8-L11 CarbonylContact O-C 3.48Å; M8-L11 PolarHBondContact O-N 3.45Å; E9-L11 VanDerWaalsContact C-N 3.31Å; E9-L11 PolarHBondContact O-N 3.27Å; L11-H13 PolarHBondContact O-N 3.11Å; L11-H13 VanDerWaalsContact O-N 3.08Å; L11-L14 HydrophobicContact CD2-CD2 3.92Å; L11-L14 WeakPolarHBondContact O-CB 3.3Å; L11-L14 PolarHBondContact O-N 3.49Å; L11-P15 WeakPolarHBondContact O-CD 3.44Å; L11-Q93 HydrophobicContact CD2-CB 4.05Å; L11-Q93 HydrophobicContact CD2-CG 3.74Å
12E86.1Confident87.1Confident136 Ų13687.2 Ų87.264%0.63641%0.413SS*.Hα-helixtrans-56-33.8-174.4-170.9174.2-177.200112.6M8 E9 P16M8-E12 PolarHBondContact O-N 3.32Å; E9-E12 WeakPolarHBondContact O-CB 3.49Å; E9-E12 PolarHBondContact O-N 3.1Å; E12-P16 WeakPolarHBondContact O-CD 2.95Å
13H85.5Confident87.8Confident138 Ų13884.3 Ų84.364%0.63940%0.4SS*.THydrogen-bonded Turntrans-80.1-19.5-179.3-54.384.2000113.3E9 L11 P16 H17E9-H13 PolarHBondContact O-ND1 3.05Å; L11-H13 PolarHBondContact O-N 3.11Å; L11-H13 VanDerWaalsContact O-N 3.08Å; H13-P16 WeakPolarHBondContact O-CD 3.36Å; H13-H17 WeakPolarHBondContact O-CB 3.16Å; H13-H17 PolarHBondContact O-N 3.41Å
14L90.2Very high88.6Confident23 Ų2383 Ų8312%0.1240%0.397CS..Hα-helixtrans-70.6-52.2-174174.868000112.8L11 H17 L18 L89 Q93L11-L14 HydrophobicContact CD2-CD2 3.92Å; L11-L14 WeakPolarHBondContact O-CB 3.3Å; L11-L14 PolarHBondContact O-N 3.49Å; L14-H17 PolarHBondContact O-N 3.34Å; L14-L18 HydrophobicContact CD1-CD1 3.86Å; L14-L18 HydrophobicContact CD1-CD2 4.37Å; L14-L18 HydrophobicContact CD1-CG 3.84Å; L14-L18 HydrophobicContact CD2-CD1 4.38Å; L14-L18 HydrophobicContact CG-CD1 3.83Å; L14-L18 HydrophobicContact CG-CG 4.23Å; L14-L18 WeakPolarHBondContact O-CG 3.4Å; L14-L18 PolarHBondContact O-N 3.05Å; L14-L89 HydrophobicContact CD1-CB 4.42Å; L14-L89 HydrophobicContact CD1-CD1 4.35Å; L14-L89 HydrophobicContact CD1-CD2 3.22Å; L14-L89 HydrophobicContact CD1-CG 3.38Å; L14-Q93 HydrophobicContact CD2-CG 3.84Å
15P92.4Very high89.6Confident57 Ų5779.1 Ų79.137%0.3738%0.377SS..Hα-helixtrans-59.5-42.8179.6-21.329.8000114.5L11 H17 L18 R19L11-P15 WeakPolarHBondContact O-CD 3.44Å; P15-H17 VanDerWaalsContact C-N 3.34Å; P15-H17 PolarHBondContact O-N 2.92Å; P15-L18 PolarHBondContact O-N 3.49Å; P15-R19 WeakPolarHBondContact O-CB 3.42Å; P15-R19 WeakPolarHBondContact O-CG 3Å; P15-R19 PolarHBondContact O-N 3.27Å
16P92.7Very high90.4Very high62 Ų6281.3 Ų81.340%0.40338%0.38SS..Hα-helixtrans-58.4-44.5173-23.232.4000112.7E12 H13 R19 Q20E12-P16 WeakPolarHBondContact O-CD 2.95Å; H13-P16 WeakPolarHBondContact O-CD 3.36Å; P16-R19 PolarHBondContact O-N 3.36Å; P16-Q20 PolarHBondContact O-N 3.29Å
17H91.6Very high91.2Very high73 Ų7379.4 Ų79.434%0.33838%0.376SS..Hα-helixtrans-62.8-47.3178-177.4-89.4000111.9H13 L14 P15 R19 Q20 E21 L89H13-H17 WeakPolarHBondContact O-CB 3.16Å; H13-H17 PolarHBondContact O-N 3.41Å; L14-H17 PolarHBondContact O-N 3.34Å; P15-H17 VanDerWaalsContact C-N 3.34Å; P15-H17 PolarHBondContact O-N 2.92Å; H17-R19 VanDerWaalsContact C-N 3.33Å; H17-R19 PolarHBondContact O-N 2.62Å; H17-Q20 WeakPolarHBondContact O-CB 3.35Å; H17-Q20 PolarHBondContact O-N 3.07Å; H17-E21 IonicContact CE1-OE1 2.73Å; H17-E21 PolarHBondContact O-N 3.21Å; H17-L89 WeakPolarHBondContact ND1-CD2 3.45Å
18L94.1Very high91.9Very high24 Ų2479.4 Ų79.413%0.12638%0.377CS..Hα-helixtrans-61.8-40176.9-70.7175000112.2L14 P15 Q20 E21 F22 A86 L89 V90L14-L18 HydrophobicContact CD1-CD1 3.86Å; L14-L18 HydrophobicContact CD1-CD2 4.37Å; L14-L18 HydrophobicContact CD1-CG 3.84Å; L14-L18 HydrophobicContact CD2-CD1 4.38Å; L14-L18 HydrophobicContact CG-CD1 3.83Å; L14-L18 HydrophobicContact CG-CG 4.23Å; L14-L18 WeakPolarHBondContact O-CG 3.4Å; L14-L18 PolarHBondContact O-N 3.05Å; P15-L18 PolarHBondContact O-N 3.49Å; L18-Q20 VanDerWaalsContact C-N 3.32Å; L18-Q20 PolarHBondContact O-N 3.29Å; L18-E21 PolarHBondContact O-N 3.11Å; L18-F22 HydrophobicContact CB-CD2 4.4Å; L18-F22 HydrophobicContact CB-CE2 3.97Å; L18-F22 WeakPolarHBondContact O-CD2 3.5Å; L18-F22 VanDerWaalsContact O-CG 3.3Å; L18-F22 WeakPolarHBondContact O-CG 3.36Å; L18-F22 PolarHBondContact O-N 2.93Å; L18-A86 HydrophobicContact CD2-CB 3.95Å; L18-L89 HydrophobicContact CD2-CD2 4.4Å; L18-V90 HydrophobicContact CD1-CG2 3.61Å; L18-V90 HydrophobicContact CD2-CG2 4.03Å; L18-V90 HydrophobicContact CG-CG2 4.44Å
19R95Very high92.6Very high141 Ų14176.6 Ų76.653%0.53236%0.364SS..Hα-helixtrans-58.2-46.3174.1-80.5-173.5-71.5-89.84.5111.4P15 P16 H17 E21 F22 E23P15-R19 WeakPolarHBondContact O-CB 3.42Å; P15-R19 WeakPolarHBondContact O-CG 3Å; P15-R19 PolarHBondContact O-N 3.27Å; P16-R19 PolarHBondContact O-N 3.36Å; H17-R19 VanDerWaalsContact C-N 3.33Å; H17-R19 PolarHBondContact O-N 2.62Å; R19-E21 VanDerWaalsContact C-N 3.35Å; R19-E21 PolarHBondContact O-N 3.43Å; R19-F22 PolarHBondContact O-N 2.86Å; R19-E23 WeakPolarHBondContact O-CG 3.47Å; R19-E23 PolarHBondContact O-N 3.38Å
20Q94.8Very high93.4Very high111 Ų11177.1 Ų77.152%0.51937%0.366SS..Hα-helixtrans-60.1-44.4176.2-175.7178.50.800111.6P16 H17 L18 F22 E23 I24P16-Q20 PolarHBondContact O-N 3.29Å; H17-Q20 WeakPolarHBondContact O-CB 3.35Å; H17-Q20 PolarHBondContact O-N 3.07Å; L18-Q20 VanDerWaalsContact C-N 3.32Å; L18-Q20 PolarHBondContact O-N 3.29Å; Q20-F22 PolarHBondContact O-N 3.18Å; Q20-E23 PolarHBondContact O-N 3.42Å; Q20-I24 HydrophobicContact CG-CD1 4.05Å; Q20-I24 VanDerWaalsContact O-CG1 3.3Å; Q20-I24 WeakPolarHBondContact O-CG1 3.46Å; Q20-I24 PolarHBondContact O-N 2.89Å
21E94.5Very high94.3Very high27 Ų2779.4 Ų79.413%0.12637%0.373CS..Hα-helixtrans-61.4-41.6176-70.7-55.6140.300112.3H17 L18 R19 I24 M25 A86H17-E21 IonicContact CE1-OE1 2.73Å; H17-E21 PolarHBondContact O-N 3.21Å; L18-E21 PolarHBondContact O-N 3.11Å; R19-E21 VanDerWaalsContact C-N 3.35Å; R19-E21 PolarHBondContact O-N 3.43Å; E21-I24 PolarHBondContact O-N 3.22Å; E21-M25 HydrophobicContact CB-CE 4.34Å; E21-M25 WeakPolarHBondContact O-CB 3.48Å; E21-M25 WeakPolarHBondContact O-CG 3.3Å; E21-M25 PolarHBondContact O-N 3.44Å; E21-A86 HydrophobicContact CB-CB 4.49Å
22F96.9Very high94.9Very high122 Ų12278.3 Ų78.354%0.53537%0.368SS..Hα-helixtrans-66.2-38.7176.2-65.7-47.5000113L18 R19 Q20 M25 R26L18-F22 HydrophobicContact CB-CD2 4.4Å; L18-F22 HydrophobicContact CB-CE2 3.97Å; L18-F22 WeakPolarHBondContact O-CD2 3.5Å; L18-F22 VanDerWaalsContact O-CG 3.3Å; L18-F22 WeakPolarHBondContact O-CG 3.36Å; L18-F22 PolarHBondContact O-N 2.93Å; R19-F22 PolarHBondContact O-N 2.86Å; Q20-F22 PolarHBondContact O-N 3.18Å; F22-M25 HydrophobicContact CD1-CE 3.41Å; F22-M25 VanDerWaalsContact CD1-CE 3.41Å; F22-M25 HydrophobicContact CE1-CE 3.8Å; F22-M25 HydrophobicContact CG-CE 4.4Å; F22-M25 PolarHBondContact O-N 2.99Å; F22-R26 WeakPolarHBondContact O-CB 3.28Å; F22-R26 PolarHBondContact O-N 3.36Å
23E97.4Very high95.5Very high107 Ų10777 Ų7750%0.536%0.362SS..Hα-helixtrans-62.3-46.7174.4-75.2175.9178.500111.2R19 Q20 M25 R26 D27R19-E23 WeakPolarHBondContact O-CG 3.47Å; R19-E23 PolarHBondContact O-N 3.38Å; Q20-E23 PolarHBondContact O-N 3.42Å; E23-M25 PolarHBondContact O-N 2.88Å; E23-R26 WeakPolarHBondContact O-CB 3.24Å; E23-R26 PolarHBondContact O-N 3.35Å; E23-D27 PolarHBondContact O-N 2.91Å
24I97.3Very high96.1Very high48 Ų4872.5 Ų72.525%0.24634%0.343CS..Hα-helixtrans-62.9-44.3177.4-63.6164.5000110.6Q20 E21 R26 D27 L28 R82Q20-I24 HydrophobicContact CG-CD1 4.05Å; Q20-I24 VanDerWaalsContact O-CG1 3.3Å; Q20-I24 WeakPolarHBondContact O-CG1 3.46Å; Q20-I24 PolarHBondContact O-N 2.89Å; E21-I24 PolarHBondContact O-N 3.22Å; I24-R26 VanDerWaalsContact C-N 3.29Å; I24-R26 PolarHBondContact O-N 2.88Å; I24-D27 PolarHBondContact O-N 3.48Å; I24-L28 HydrophobicContact CG2-CD1 4.01Å; I24-L28 HydrophobicContact CG2-CG 4.26Å; I24-L28 VanDerWaalsContact O-CG 3.29Å; I24-L28 WeakPolarHBondContact O-CG 3.37Å; I24-L28 PolarHBondContact O-N 3.19Å; I24-R82 VanDerWaalsContact CG2-NE 3.3Å
25M97.9Very high96.4Very high18 Ų1872 Ų729%0.08934%0.34CS..Hα-helixtrans-59.5-39.6176.8-79.6-170.8-86.200112.4E21 F22 E23 L28 D29 K79 R82 A83E21-M25 HydrophobicContact CB-CE 4.34Å; E21-M25 WeakPolarHBondContact O-CB 3.48Å; E21-M25 WeakPolarHBondContact O-CG 3.3Å; E21-M25 PolarHBondContact O-N 3.44Å; F22-M25 HydrophobicContact CD1-CE 3.41Å; F22-M25 VanDerWaalsContact CD1-CE 3.41Å; F22-M25 HydrophobicContact CE1-CE 3.8Å; F22-M25 HydrophobicContact CG-CE 4.4Å; F22-M25 PolarHBondContact O-N 2.99Å; E23-M25 PolarHBondContact O-N 2.88Å; M25-L28 PolarHBondContact O-N 3.03Å; M25-D29 WeakPolarHBondContact O-CB 3.4Å; M25-D29 PolarHBondContact O-N 3.41Å; M25-K79 HydrophobicContact CB-CG 4.34Å; M25-K79 HydrophobicContact CG-CG 4.11Å; M25-R82 HydrophobicContact CG-CB 3.98Å; M25-R82 HydrophobicContact SD-CB 4.38Å; M25-A83 HydrophobicContact SD-CB 3.74Å
26R97.8Very high96.7Very high161 Ų16172.6 Ų72.661%0.60834%0.339SS*.Hα-helixtrans-64.1-41.6175.2-174.8-174.666.1-167.8-4.9111.9F22 E23 I24 D29 Q30F22-R26 WeakPolarHBondContact O-CB 3.28Å; F22-R26 PolarHBondContact O-N 3.36Å; E23-R26 WeakPolarHBondContact O-CB 3.24Å; E23-R26 PolarHBondContact O-N 3.35Å; I24-R26 VanDerWaalsContact C-N 3.29Å; I24-R26 PolarHBondContact O-N 2.88Å; R26-D29 WeakPolarHBondContact O-CB 3.48Å; R26-D29 PolarHBondContact O-N 3.27Å; R26-Q30 PolarHBondContact O-N 3.46Å
27D98.1Very high96.9Very high84 Ų8475.6 Ų75.645%0.44934%0.343SS..Hα-helixtrans-67.5-37.3177.8-70.7-5.1000111.8E23 I24 Q30 K31E23-D27 PolarHBondContact O-N 2.91Å; I24-D27 PolarHBondContact O-N 3.48Å; D27-Q30 PolarHBondContact O-N 3.36Å; D27-K31 WeakPolarHBondContact O-CG 3.16Å; D27-K31 PolarHBondContact O-N 3.28Å; D27-K31 VanDerWaalsContact O-N 3.07Å
28L97.8Very high97.2Very high16 Ų1676 Ų768%0.08435%0.345CS..Hα-helixtrans-65.2-43172.9-66.4171.5000111.1I24 M25 Q30 K31 V32 I75 K79I24-L28 HydrophobicContact CG2-CD1 4.01Å; I24-L28 HydrophobicContact CG2-CG 4.26Å; I24-L28 VanDerWaalsContact O-CG 3.29Å; I24-L28 WeakPolarHBondContact O-CG 3.37Å; I24-L28 PolarHBondContact O-N 3.19Å; M25-L28 PolarHBondContact O-N 3.03Å; L28-Q30 VanDerWaalsContact C-N 3.33Å; L28-Q30 PolarHBondContact O-N 3.07Å; L28-K31 WeakPolarHBondContact O-CB 3.47Å; L28-K31 PolarHBondContact O-N 2.99Å; L28-V32 WeakPolarHBondContact O-CG2 2.94Å; L28-V32 PolarHBondContact O-N 3.44Å; L28-I75 HydrophobicContact CB-CG2 4.02Å; L28-I75 HydrophobicContact CD2-CG2 3.82Å; L28-I75 HydrophobicContact CG-CG2 4.49Å; L28-K79 HydrophobicContact CB-CB 4.41Å; L28-K79 HydrophobicContact CD1-CB 4.3Å
29D98.1Very high97.4Very high58 Ų5876 Ų7631%0.3135%0.345SS..Hα-helixtrans-57-46.7173.9-91.8-25000112M25 R26 K31 V32 Q33 K79M25-D29 WeakPolarHBondContact O-CB 3.4Å; M25-D29 PolarHBondContact O-N 3.41Å; R26-D29 WeakPolarHBondContact O-CB 3.48Å; R26-D29 PolarHBondContact O-N 3.27Å; D29-K31 VanDerWaalsContact C-N 3.31Å; D29-K31 PolarHBondContact O-N 2.73Å; D29-V32 PolarHBondContact O-N 3.34Å; D29-V32 VanDerWaalsContact O-N 3.16Å; D29-Q33 WeakPolarHBondContact O-CG 3.46Å; D29-Q33 PolarHBondContact O-N 2.96Å; D29-K79 WeakPolarHBondContact OD1-CD 3.4Å; D29-K79 WeakPolarHBondContact OD1-CE 3.46Å; D29-K79 IonicContact OD1-NZ 3.99Å; D29-K79 PolarHBondContact OD1-NZ 3.24Å; D29-K79 WeakPolarHBondContact OD2-CE 3.32Å; D29-K79 IonicContact OD2-NZ 3.86Å; D29-K79 PolarHBondContact OD2-NZ 3.03Å
30Q98.1Very high97.5Very high105 Ų10574.8 Ų74.849%0.49135%0.346SS..Hα-helixtrans-60.7-42.3178.1-172.556.555.200111.4R26 D27 L28 V32 Q33 D34R26-Q30 PolarHBondContact O-N 3.46Å; D27-Q30 PolarHBondContact O-N 3.36Å; L28-Q30 VanDerWaalsContact C-N 3.33Å; L28-Q30 PolarHBondContact O-N 3.07Å; Q30-V32 VanDerWaalsContact C-N 3.35Å; Q30-V32 PolarHBondContact O-N 3.36Å; Q30-Q33 PolarHBondContact O-N 2.99Å; Q30-D34 PolarHBondContact NE2-OD1 3.48Å; Q30-D34 PolarHBondContact O-N 3.08Å
31K98.1Very high97.7Very high114 Ų11475 Ų7550%0.49635%0.347SS..Hα-helixtrans-61.7-40.8175-72.1168.9-176.4170.90112.3D27 L28 D29 D34 I35 I75D27-K31 WeakPolarHBondContact O-CG 3.16Å; D27-K31 PolarHBondContact O-N 3.28Å; D27-K31 VanDerWaalsContact O-N 3.07Å; L28-K31 WeakPolarHBondContact O-CB 3.47Å; L28-K31 PolarHBondContact O-N 2.99Å; D29-K31 VanDerWaalsContact C-N 3.31Å; D29-K31 PolarHBondContact O-N 2.73Å; K31-D34 PolarHBondContact O-N 2.92Å; K31-I35 WeakPolarHBondContact O-CG1 3.18Å; K31-I35 PolarHBondContact O-N 3.23Å; K31-I75 HydrophobicContact CB-CD1 4.26Å; K31-I75 HydrophobicContact CB-CG2 4.45Å
32V98.1Very high97.8Very high19 Ų1977.9 Ų77.912%0.11536%0.357CS..Hα-helixtrans-64-45.1175.8173.10000110.4L28 D29 Q30 D34 I35 I36 I75L28-V32 WeakPolarHBondContact O-CG2 2.94Å; L28-V32 PolarHBondContact O-N 3.44Å; D29-V32 PolarHBondContact O-N 3.34Å; D29-V32 VanDerWaalsContact O-N 3.16Å; Q30-V32 VanDerWaalsContact C-N 3.35Å; Q30-V32 PolarHBondContact O-N 3.36Å; V32-D34 VanDerWaalsContact C-N 3.33Å; V32-D34 PolarHBondContact O-N 2.93Å; V32-I35 PolarHBondContact O-N 2.71Å; V32-I36 HydrophobicContact CG1-CD1 3.83Å; V32-I36 HydrophobicContact CG1-CG1 4.36Å; V32-I36 WeakPolarHBondContact O-CG1 3.02Å; V32-I36 PolarHBondContact O-N 3.1Å; V32-I75 HydrophobicContact CG2-CB 3.91Å; V32-I75 HydrophobicContact CG2-CG2 3.52Å
33Q98.1Very high97.8Very high109 Ų10975.3 Ų75.351%0.50935%0.351SS..Hα-helixtrans-61-41.5177-68.9-60.4-27.700112.2D29 Q30 I35 I36 R37D29-Q33 WeakPolarHBondContact O-CG 3.46Å; D29-Q33 PolarHBondContact O-N 2.96Å; Q30-Q33 PolarHBondContact O-N 2.99Å; Q33-I35 VanDerWaalsContact C-N 3.34Å; Q33-I35 PolarHBondContact O-N 2.8Å; Q33-I36 PolarHBondContact O-N 3.35Å; Q33-R37 PolarHBondContact O-N 3.35Å
34D98.3Very high97.8Very high44 Ų4473.6 Ų73.624%0.23535%0.348CS..Hα-helixtrans-64.1-39175.6-71.8-32.7000112.1Q30 K31 V32 R37 Q38Q30-D34 PolarHBondContact NE2-OD1 3.48Å; Q30-D34 PolarHBondContact O-N 3.08Å; K31-D34 PolarHBondContact O-N 2.92Å; V32-D34 VanDerWaalsContact C-N 3.33Å; V32-D34 PolarHBondContact O-N 2.93Å; D34-R37 PolarHBondContact O-N 2.79Å; D34-R37 IonicContact OD1-CZ 2.72Å; D34-R37 IonicContact OD1-NH1 2.99Å; D34-R37 PolarHBondContact OD1-NH1 3.03Å; D34-R37 IonicContact OD1-NH2 2.66Å; D34-R37 PolarHBondContact OD1-NH2 3.42Å; D34-Q38 WeakPolarHBondContact O-CB 3.3Å; D34-Q38 VanDerWaalsContact O-CG 3.27Å; D34-Q38 WeakPolarHBondContact O-CG 3.39Å; D34-Q38 PolarHBondContact O-N 2.93Å
35I98Very high97.7Very high13 Ų1376.6 Ų76.67%0.06736%0.357CS..Hα-helixtrans-65.1-43174.1-72169.5000110.8K31 V32 Q33 R37 Q38 T39 L68 K71 I75K31-I35 WeakPolarHBondContact O-CG1 3.18Å; K31-I35 PolarHBondContact O-N 3.23Å; V32-I35 PolarHBondContact O-N 2.71Å; Q33-I35 VanDerWaalsContact C-N 3.34Å; Q33-I35 PolarHBondContact O-N 2.8Å; I35-R37 VanDerWaalsContact C-N 3.34Å; I35-R37 PolarHBondContact O-N 2.51Å; I35-Q38 PolarHBondContact O-N 3.24Å; I35-T39 VanDerWaalsContact O-CB 3.3Å; I35-T39 WeakPolarHBondContact O-CB 3.41Å; I35-T39 PolarHBondContact O-N 2.98Å; I35-T39 PolarHBondContact O-OG1 3.35Å; I35-L68 HydrophobicContact CG2-CB 4.35Å; I35-L68 VanDerWaalsContact CG2-O 3.28Å; I35-L68 WeakPolarHBondContact CG2-O 3.44Å; I35-K71 HydrophobicContact CD1-CB 4.44Å; I35-K71 HydrophobicContact CD1-CD 4.15Å; I35-K71 HydrophobicContact CD1-CG 3.97Å; I35-I75 HydrophobicContact CD1-CD1 3.6Å
36I98Very high97.6Very high68 Ų6876.9 Ų76.935%0.34936%0.359SS..Hα-helixtrans-59.3-48.1176.7-70.6167.3000109.7V32 Q33 Q38 T39 Q40V32-I36 HydrophobicContact CG1-CD1 3.83Å; V32-I36 HydrophobicContact CG1-CG1 4.36Å; V32-I36 WeakPolarHBondContact O-CG1 3.02Å; V32-I36 PolarHBondContact O-N 3.1Å; Q33-I36 PolarHBondContact O-N 3.35Å; I36-Q38 PolarHBondContact O-N 2.93Å; I36-T39 WeakPolarHBondContact O-CB 3.15Å; I36-T39 PolarHBondContact O-N 3.43Å; I36-Q40 HydrophobicContact CG2-CG 4.43Å; I36-Q40 WeakPolarHBondContact O-CB 3Å; I36-Q40 WeakPolarHBondContact O-CG 3.47Å; I36-Q40 PolarHBondContact O-N 3.28Å
37R98.1Very high97.5Very high125 Ų12578.4 Ų78.447%0.47237%0.366SS..Hα-helixtrans-59.4-46.9177.4-175.3177.365.5-136.6-10.7111.8Q33 D34 I35 T39 Q40 Q41Q33-R37 PolarHBondContact O-N 3.35Å; D34-R37 PolarHBondContact O-N 2.79Å; D34-R37 IonicContact OD1-CZ 2.72Å; D34-R37 IonicContact OD1-NH1 2.99Å; D34-R37 PolarHBondContact OD1-NH1 3.03Å; D34-R37 IonicContact OD1-NH2 2.66Å; D34-R37 PolarHBondContact OD1-NH2 3.42Å; I35-R37 VanDerWaalsContact C-N 3.34Å; I35-R37 PolarHBondContact O-N 2.51Å; R37-T39 VanDerWaalsContact C-N 3.31Å; R37-T39 PolarHBondContact O-N 3.27Å; R37-Q40 PolarHBondContact O-N 3.29Å; R37-Q41 WeakPolarHBondContact O-CG 3.04Å; R37-Q41 PolarHBondContact O-N 3.28Å
38Q97.7Very high97.4Very high83 Ų8380.1 Ų80.139%0.38837%0.371SS..Hα-helixtrans-62.3-39.8177.2-74.1175.448.400112.3D34 I35 I36 Q41 R42 L68D34-Q38 WeakPolarHBondContact O-CB 3.3Å; D34-Q38 VanDerWaalsContact O-CG 3.27Å; D34-Q38 WeakPolarHBondContact O-CG 3.39Å; D34-Q38 PolarHBondContact O-N 2.93Å; I35-Q38 PolarHBondContact O-N 3.24Å; I36-Q38 PolarHBondContact O-N 2.93Å; Q38-Q41 PolarHBondContact O-N 3.2Å; Q38-R42 WeakPolarHBondContact O-CG 3.39Å; Q38-R42 PolarHBondContact O-N 3.46Å; Q38-L68 HydrophobicContact CB-CD1 4.46Å
39T97.5Very high97.3Very high22 Ų2281.9 Ų81.914%0.13538%0.379CS..Hα-helixtrans-64.7-44.5177.5-56.20000110.4I35 I36 R37 R42 T43 I65I35-T39 VanDerWaalsContact O-CB 3.3Å; I35-T39 WeakPolarHBondContact O-CB 3.41Å; I35-T39 PolarHBondContact O-N 2.98Å; I35-T39 PolarHBondContact O-OG1 3.35Å; I36-T39 WeakPolarHBondContact O-CB 3.15Å; I36-T39 PolarHBondContact O-N 3.43Å; R37-T39 VanDerWaalsContact C-N 3.31Å; R37-T39 PolarHBondContact O-N 3.27Å; T39-R42 PolarHBondContact O-N 2.88Å; T39-T43 WeakPolarHBondContact O-CB 3.38Å; T39-T43 PolarHBondContact O-N 3.12Å; T39-T43 PolarHBondContact O-OG1 3.23Å; T39-I65 HydrophobicContact CG2-CG2 3.97Å
40Q97.6Very high97.1Very high117 Ų11780 Ų8055%0.54737%0.372SS..Hα-helixtrans-60.9-49.5175.6-73.9171.3-15.400111.5I36 R37 R42 T43 T44I36-Q40 HydrophobicContact CG2-CG 4.43Å; I36-Q40 WeakPolarHBondContact O-CB 3Å; I36-Q40 WeakPolarHBondContact O-CG 3.47Å; I36-Q40 PolarHBondContact O-N 3.28Å; R37-Q40 PolarHBondContact O-N 3.29Å; Q40-R42 VanDerWaalsContact C-N 3.31Å; Q40-R42 PolarHBondContact O-N 3.32Å; Q40-T43 WeakPolarHBondContact O-CB 3.44Å; Q40-T43 PolarHBondContact O-N 3.5Å; Q40-T43 VanDerWaalsContact O-N 3.11Å; Q40-T44 PolarHBondContact O-N 3.44Å; Q40-T44 PolarHBondContact O-OG1 3.34Å; Q40-T44 VanDerWaalsContact O-OG1 3.13Å
41Q97.5Very high96.9Very high116 Ų11685.5 Ų85.554%0.54239%0.39SS..Hα-helixtrans-56.1-44.7177.5-74.2173.4-24.100112.2R37 Q38 T44 Y45R37-Q41 WeakPolarHBondContact O-CG 3.04Å; R37-Q41 PolarHBondContact O-N 3.28Å; Q38-Q41 PolarHBondContact O-N 3.2Å; Q41-T44 PolarHBondContact O-N 2.95Å; Q41-Y45 WeakPolarHBondContact O-CB 3.47Å; Q41-Y45 PolarHBondContact O-N 2.87Å
42R96.8Very high96.7Very high86 Ų8687.7 Ų87.733%0.32540%0.402SS..Hα-helixtrans-68-36.9177.2-74.3175170.3-84.57.7112.9Q38 T39 Q40 Y45 L46 I65 L68Q38-R42 WeakPolarHBondContact O-CG 3.39Å; Q38-R42 PolarHBondContact O-N 3.46Å; T39-R42 PolarHBondContact O-N 2.88Å; Q40-R42 VanDerWaalsContact C-N 3.31Å; Q40-R42 PolarHBondContact O-N 3.32Å; R42-Y45 PolarHBondContact O-N 3.48Å; R42-L46 WeakPolarHBondContact O-CB 3.08Å; R42-L46 PolarHBondContact O-N 3.05Å; R42-I65 HydrophobicContact CB-CD1 4.17Å; R42-I65 HydrophobicContact CB-CG1 3.83Å; R42-L68 VanDerWaalsContact CD-CD1 3.47Å
43T97.3Very high96.4Very high69 Ų6988.1 Ų88.142%0.42340%0.403SS..Hα-helixtrans-65.6-44.9176.8-56.20000110.5T39 Q40 L46 Y47T39-T43 WeakPolarHBondContact O-CB 3.38Å; T39-T43 PolarHBondContact O-N 3.12Å; T39-T43 PolarHBondContact O-OG1 3.23Å; Q40-T43 WeakPolarHBondContact O-CB 3.44Å; Q40-T43 PolarHBondContact O-N 3.5Å; Q40-T43 VanDerWaalsContact O-N 3.11Å; T43-L46 PolarHBondContact O-N 3.07Å; T43-Y47 PolarHBondContact O-N 3.15Å
44T97.4Very high96.3Very high71 Ų7185.2 Ų85.244%0.43640%0.395SS..Hα-helixtrans-61.2-47.8174.3-60.10000111.3Q40 Q41 L46 Y47 E48Q40-T44 PolarHBondContact O-N 3.44Å; Q40-T44 PolarHBondContact O-OG1 3.34Å; Q40-T44 VanDerWaalsContact O-OG1 3.13Å; Q41-T44 PolarHBondContact O-N 2.95Å; T44-L46 VanDerWaalsContact C-N 3.32Å; T44-L46 PolarHBondContact O-N 2.97Å; T44-Y47 WeakPolarHBondContact O-CB 3.43Å; T44-Y47 PolarHBondContact O-N 3.03Å; T44-Y47 VanDerWaalsContact O-N 3.11Å; T44-E48 HydrophobicContact CG2-CG 4.42Å; T44-E48 WeakPolarHBondContact CG2-OE1 3.38Å; T44-E48 WeakPolarHBondContact O-CG 3.22Å; T44-E48 PolarHBondContact O-N 3.12Å
45Y96.1Very high96.2Very high110 Ų11090.5 Ų90.543%0.43142%0.415SS..Hα-helixtrans-57.2-45.3177180-90.7000112.2Q41 R42 Y47 E48 H49 M53Q41-Y45 WeakPolarHBondContact O-CB 3.47Å; Q41-Y45 PolarHBondContact O-N 2.87Å; R42-Y45 PolarHBondContact O-N 3.48Å; Y45-Y47 VanDerWaalsContact C-N 3.34Å; Y45-Y47 PolarHBondContact O-N 3.3Å; Y45-E48 PolarHBondContact O-N 3.09Å; Y45-H49 AromaticContact CD2-CE1 3.79Å; Y45-H49 AromaticContact CD2-ND1 3.56Å; Y45-H49 HydrophobicContact CE1-CB 4.34Å; Y45-H49 AromaticContact CE2-CE1 3.77Å; Y45-H49 AromaticContact CE2-CG 3.97Å; Y45-H49 AromaticContact CE2-ND1 3.62Å; Y45-H49 AromaticContact CG-ND1 4Å; Y45-H49 WeakPolarHBondContact O-CB 3.45Å; Y45-H49 PolarHBondContact O-N 3.2Å; Y45-H49 PolarHBondContact O-ND1 3.39Å; Y45-M53 HydrophobicContact CE1-SD 4.24Å
46L95.7Very high96.1Very high25 Ų2596.4 Ų96.413%0.13144%0.443CS..Hα-helixtrans-62.6-41.5177.2178.661.8000111.3R42 T43 T44 A50 M53 R58 Q61 I62 I65R42-L46 WeakPolarHBondContact O-CB 3.08Å; R42-L46 PolarHBondContact O-N 3.05Å; T43-L46 PolarHBondContact O-N 3.07Å; T44-L46 VanDerWaalsContact C-N 3.32Å; T44-L46 PolarHBondContact O-N 2.97Å; L46-A50 WeakPolarHBondContact O-CA 3.38Å; L46-A50 WeakPolarHBondContact O-CB 3.16Å; L46-A50 PolarHBondContact O-N 3.23Å; L46-M53 HydrophobicContact CD1-SD 4.44Å; L46-R58 HydrophobicContact CD1-CB 4.35Å; L46-R58 HydrophobicContact CD1-CG 4.06Å; L46-Q61 HydrophobicContact CD1-CB 4.04Å; L46-Q61 HydrophobicContact CD2-CB 4.43Å; L46-I62 HydrophobicContact CD2-CD1 4.44Å; L46-I62 HydrophobicContact CD2-CG1 3.64Å; L46-I65 HydrophobicContact CD2-CD1 4.02Å
47Y94.5Very high96Very high193 Ų19398 Ų9876%0.75745%0.449SS*.Hα-helixtrans-62.6-43.8177.5179-100000112T43 T44 Y45T43-Y47 PolarHBondContact O-N 3.15Å; T44-Y47 WeakPolarHBondContact O-CB 3.43Å; T44-Y47 PolarHBondContact O-N 3.03Å; T44-Y47 VanDerWaalsContact O-N 3.11Å; Y45-Y47 VanDerWaalsContact C-N 3.34Å; Y45-Y47 PolarHBondContact O-N 3.3Å
48E96.3Very high95.9Very high119 Ų11996.5 Ų96.556%0.55644%0.443SS*.Hα-helixtrans-71.7-39-177.7-70171.3174.800112.8T44 Y45T44-E48 HydrophobicContact CG2-CG 4.42Å; T44-E48 WeakPolarHBondContact CG2-OE1 3.38Å; T44-E48 WeakPolarHBondContact O-CG 3.22Å; T44-E48 PolarHBondContact O-N 3.12Å; Y45-E48 PolarHBondContact O-N 3.09Å
49H95.3Very high95.8Very high53 Ų5398.8 Ų98.825%0.24545%0.452CS..Hα-helixtrans-106.83.4-171.3-56.778.7000113.6Y45 Y51 E52 M53Y45-H49 AromaticContact CD2-CE1 3.79Å; Y45-H49 AromaticContact CD2-ND1 3.56Å; Y45-H49 HydrophobicContact CE1-CB 4.34Å; Y45-H49 AromaticContact CE2-CE1 3.77Å; Y45-H49 AromaticContact CE2-CG 3.97Å; Y45-H49 AromaticContact CE2-ND1 3.62Å; Y45-H49 AromaticContact CG-ND1 4Å; Y45-H49 WeakPolarHBondContact O-CB 3.45Å; Y45-H49 PolarHBondContact O-N 3.2Å; Y45-H49 PolarHBondContact O-ND1 3.39Å; H49-Y51 PolarHBondContact O-N 3.27Å; H49-E52 IonicContact CD2-OE2 2.68Å; H49-E52 PolarHBondContact O-N 3.24Å; H49-M53 HydrophobicContact CB-SD 4.32Å; H49-M53 VanDerWaalsContact O-CG 3.3Å; H49-M53 WeakPolarHBondContact O-CG 3.1Å; H49-M53 PolarHBondContact O-N 3.05Å
50A94Very high95.8Very high20 Ų2099.6 Ų99.617%0.16546%0.461CS..THydrogen-bonded Turntrans-56.9-26.9-175.900000114.8L46 R58L46-A50 WeakPolarHBondContact O-CA 3.38Å; L46-A50 WeakPolarHBondContact O-CB 3.16Å; L46-A50 PolarHBondContact O-N 3.23Å; A50-R58 VanDerWaalsContact O-CD 3.25Å; A50-R58 WeakPolarHBondContact O-CD 3.39Å; A50-R58 PolarHBondContact O-NH1 3.48Å
51Y93.8Very high95.7Very high219 Ų21995.7 Ų95.786%0.85944%0.442SS*.THydrogen-bonded Turntrans-80.1-25.4179.3-69.2-80.5000112.9H49H49-Y51 PolarHBondContact O-N 3.27Å
52E94.6Very high95.6Very high160 Ų16093.8 Ų93.875%0.74844%0.435SS*.THydrogen-bonded Turntrans-86.7-18.4-179.7-59.8177.8-175.500111.9H49H49-E52 IonicContact CD2-OE2 2.68Å; H49-E52 PolarHBondContact O-N 3.24Å
53M92.7Very high95.7Very high28 Ų2894.5 Ų94.514%0.13844%0.442CS..SBendtrans-90.7144.7-177.8-63.4178.277.400112.5Y45 L46 H49 E57 R58 Q61Y45-M53 HydrophobicContact CE1-SD 4.24Å; L46-M53 HydrophobicContact CD1-SD 4.44Å; H49-M53 HydrophobicContact CB-SD 4.32Å; H49-M53 VanDerWaalsContact O-CG 3.3Å; H49-M53 WeakPolarHBondContact O-CG 3.1Å; H49-M53 PolarHBondContact O-N 3.05Å; M53-E57 HydrophobicContact CB-CB 4.24Å; M53-E57 HydrophobicContact CE-CB 3.65Å; M53-R58 HydrophobicContact CB-CG 3.8Å; M53-Q61 HydrophobicContact CE-CG 3.6Å
54S96.1Very high95.6Very high49 Ų4995 Ų9534%0.34344%0.44SS..  trans-62.9164.8167.964.60000111.8E56 E57 R58S54-E56 VanDerWaalsContact C-N 3.27Å; S54-E56 PolarHBondContact O-N 2.72Å; S54-E57 WeakPolarHBondContact CB-OE2 3.4Å; S54-E57 PolarHBondContact N-OE2 3.23Å; S54-E57 PolarHBondContact O-N 2.8Å; S54-E57 WeakPolarHBondContact OG-CB 3.31Å; S54-E57 WeakPolarHBondContact OG-CG 3.37Å; S54-E57 PolarHBondContact OG-N 3.16Å; S54-E57 PolarHBondContact OG-OE2 2.73Å; S54-R58 WeakPolarHBondContact O-CG 3.43Å; S54-R58 PolarHBondContact O-N 2.91Å
55K95Very high95.6Very high154 Ų15492.9 Ų92.967%0.6743%0.425SS*.Hα-helixtrans-63-38.4177.6-174.1-178.7178.2-177.10111.3K59K55-K59 WeakPolarHBondContact O-CB 3.3Å; K55-K59 PolarHBondContact O-N 3.46Å
56E95.8Very high95.7Very high137 Ų13793.5 Ų93.564%0.6443%0.432SS*.Hα-helixtrans-66-46.1179.5-67.664.6-143.800110.7S54 K59 A60S54-E56 VanDerWaalsContact C-N 3.27Å; S54-E56 PolarHBondContact O-N 2.72Å; E56-K59 PolarHBondContact O-N 3.18Å; E56-A60 PolarHBondContact O-N 3.05Å
57E95.4Very high95.8Very high102 Ų10296 Ų9648%0.47745%0.452SS..Hα-helixtrans-64.5-42176.8-71.6164.2145.600112M53 S54 K59 A60 Q61M53-E57 HydrophobicContact CB-CB 4.24Å; M53-E57 HydrophobicContact CE-CB 3.65Å; S54-E57 WeakPolarHBondContact CB-OE2 3.4Å; S54-E57 PolarHBondContact N-OE2 3.23Å; S54-E57 PolarHBondContact O-N 2.8Å; S54-E57 WeakPolarHBondContact OG-CB 3.31Å; S54-E57 WeakPolarHBondContact OG-CG 3.37Å; S54-E57 PolarHBondContact OG-N 3.16Å; S54-E57 PolarHBondContact OG-OE2 2.73Å; E57-K59 VanDerWaalsContact C-N 3.34Å; E57-K59 PolarHBondContact O-N 3.37Å; E57-A60 PolarHBondContact O-N 3.26Å; E57-Q61 WeakPolarHBondContact O-CG 3.18Å; E57-Q61 PolarHBondContact O-N 3.36Å
58R96.6Very high96Very high94 Ų9488.2 Ų88.236%0.35542%0.423SS..Hα-helixtrans-60.2-44.5173.9-76-171.3-75.4-1667.4112L46 A50 M53 S54 A60 Q61 I62L46-R58 HydrophobicContact CD1-CB 4.35Å; L46-R58 HydrophobicContact CD1-CG 4.06Å; A50-R58 VanDerWaalsContact O-CD 3.25Å; A50-R58 WeakPolarHBondContact O-CD 3.39Å; A50-R58 PolarHBondContact O-NH1 3.48Å; M53-R58 HydrophobicContact CB-CG 3.8Å; S54-R58 WeakPolarHBondContact O-CG 3.43Å; S54-R58 PolarHBondContact O-N 2.91Å; R58-A60 VanDerWaalsContact C-N 3.33Å; R58-A60 PolarHBondContact O-N 3.25Å; R58-Q61 PolarHBondContact O-N 2.89Å; R58-I62 WeakPolarHBondContact O-CG1 3.48Å; R58-I62 PolarHBondContact O-N 3.3Å
59K96.2Very high96Very high131 Ų13189.1 Ų89.157%0.5743%0.426SS*.Hα-helixtrans-60.2-45177.1-172.2-174.2178-157.50111K55 E56 E57 Q61 I62 E63K55-K59 WeakPolarHBondContact O-CB 3.3Å; K55-K59 PolarHBondContact O-N 3.46Å; E56-K59 PolarHBondContact O-N 3.18Å; E57-K59 VanDerWaalsContact C-N 3.34Å; E57-K59 PolarHBondContact O-N 3.37Å; K59-Q61 VanDerWaalsContact C-N 3.32Å; K59-Q61 PolarHBondContact O-N 3.24Å; K59-I62 PolarHBondContact O-N 2.94Å; K59-E63 WeakPolarHBondContact CE-OE1 3.41Å; K59-E63 IonicContact NZ-OE1 3.82Å; K59-E63 WeakPolarHBondContact O-CG 3.41Å; K59-E63 PolarHBondContact O-N 3.17Å
60A96.4Very high96.1Very high39 Ų3993 Ų9332%0.32244%0.442SS..Hα-helixtrans-60.9-39.2177.200000112.5E56 E57 R58 E63 Q64E56-A60 PolarHBondContact O-N 3.05Å; E57-A60 PolarHBondContact O-N 3.26Å; R58-A60 VanDerWaalsContact C-N 3.33Å; R58-A60 PolarHBondContact O-N 3.25Å; A60-E63 PolarHBondContact O-N 3.4Å; A60-Q64 WeakPolarHBondContact O-CG 3.3Å; A60-Q64 PolarHBondContact O-N 3.25Å
61Q95.8Very high96.3Very high34 Ų3497.7 Ų97.716%0.15946%0.458CS..Hα-helixtrans-64.7-43.3174.3-70.9-59.6-28.700112.3L46 M53 E57 R58 K59 E63 Q64 I65L46-Q61 HydrophobicContact CD1-CB 4.04Å; L46-Q61 HydrophobicContact CD2-CB 4.43Å; M53-Q61 HydrophobicContact CE-CG 3.6Å; E57-Q61 WeakPolarHBondContact O-CG 3.18Å; E57-Q61 PolarHBondContact O-N 3.36Å; R58-Q61 PolarHBondContact O-N 2.89Å; K59-Q61 VanDerWaalsContact C-N 3.32Å; K59-Q61 PolarHBondContact O-N 3.24Å; Q61-E63 VanDerWaalsContact C-N 3.32Å; Q61-E63 PolarHBondContact O-N 2.95Å; Q61-Q64 PolarHBondContact O-N 2.87Å; Q61-I65 WeakPolarHBondContact O-CG1 3.4Å; Q61-I65 PolarHBondContact O-N 3.27Å
62I96.8Very high96.5Very high76 Ų7687.7 Ų87.739%0.3942%0.422SS..Hα-helixtrans-60.9-43.7176.8-67.2166.8000110.4L46 R58 K59 Q64 I65 Q66L46-I62 HydrophobicContact CD2-CD1 4.44Å; L46-I62 HydrophobicContact CD2-CG1 3.64Å; R58-I62 WeakPolarHBondContact O-CG1 3.48Å; R58-I62 PolarHBondContact O-N 3.3Å; K59-I62 PolarHBondContact O-N 2.94Å; I62-Q64 VanDerWaalsContact C-N 3.32Å; I62-Q64 PolarHBondContact O-N 2.87Å; I62-I65 PolarHBondContact O-N 3.39Å; I62-Q66 HydrophobicContact CG2-CG 4.41Å; I62-Q66 WeakPolarHBondContact O-CB 3.43Å; I62-Q66 VanDerWaalsContact O-CG 3.31Å; I62-Q66 WeakPolarHBondContact O-CG 3.25Å; I62-Q66 PolarHBondContact O-N 3.11Å
63E97.6Very high96.6Very high101 Ų10186 Ų8647%0.47241%0.412SS..Hα-helixtrans-61.4-39.7176.4-73.5174.6-178.400111.9K59 A60 Q61 Q66 S67K59-E63 WeakPolarHBondContact CE-OE1 3.41Å; K59-E63 IonicContact NZ-OE1 3.82Å; K59-E63 WeakPolarHBondContact O-CG 3.41Å; K59-E63 PolarHBondContact O-N 3.17Å; A60-E63 PolarHBondContact O-N 3.4Å; Q61-E63 VanDerWaalsContact C-N 3.32Å; Q61-E63 PolarHBondContact O-N 2.95Å; E63-Q66 PolarHBondContact O-N 2.91Å; E63-S67 WeakPolarHBondContact O-CB 3.26Å; E63-S67 PolarHBondContact O-N 2.72Å
64Q96.7Very high96.9Very high80 Ų8089.4 Ų89.437%0.37443%0.428SS..Hα-helixtrans-65.5-42.7175-71.9177.426.400112.4A60 Q61 I62 S67 L68A60-Q64 WeakPolarHBondContact O-CG 3.3Å; A60-Q64 PolarHBondContact O-N 3.25Å; Q61-Q64 PolarHBondContact O-N 2.87Å; I62-Q64 VanDerWaalsContact C-N 3.32Å; I62-Q64 PolarHBondContact O-N 2.87Å; Q64-S67 WeakPolarHBondContact O-CB 3.26Å; Q64-S67 PolarHBondContact O-N 3.27Å; Q64-L68 WeakPolarHBondContact O-CG 3.47Å; Q64-L68 PolarHBondContact O-N 3.26Å
65I97.4Very high97Very high26 Ų2688.1 Ų88.113%0.13342%0.417CS..Hα-helixtrans-61-45.8175.3-70.9168.2000110.4T39 R42 L46 Q61 I62 S67 L68 F69T39-I65 HydrophobicContact CG2-CG2 3.97Å; R42-I65 HydrophobicContact CB-CD1 4.17Å; R42-I65 HydrophobicContact CB-CG1 3.83Å; L46-I65 HydrophobicContact CD2-CD1 4.02Å; Q61-I65 WeakPolarHBondContact O-CG1 3.4Å; Q61-I65 PolarHBondContact O-N 3.27Å; I62-I65 PolarHBondContact O-N 3.39Å; I65-S67 VanDerWaalsContact C-N 3.33Å; I65-S67 PolarHBondContact O-N 3.19Å; I65-L68 PolarHBondContact O-N 3.47Å; I65-F69 PolarHBondContact O-N 2.97Å
66Q97.8Very high97.1Very high123 Ų12383 Ų8358%0.57540%0.401SS*.Hα-helixtrans-62.3-39.8176.9-72.8176.2-7.700112.1I62 E63 F69 K70I62-Q66 HydrophobicContact CG2-CG 4.41Å; I62-Q66 WeakPolarHBondContact O-CB 3.43Å; I62-Q66 VanDerWaalsContact O-CG 3.31Å; I62-Q66 WeakPolarHBondContact O-CG 3.25Å; I62-Q66 PolarHBondContact O-N 3.11Å; E63-Q66 PolarHBondContact O-N 2.91Å; Q66-F69 PolarHBondContact O-N 3.49Å; Q66-K70 WeakPolarHBondContact O-CB 3.44Å; Q66-K70 PolarHBondContact O-N 3.39Å
67S97.9Very high97.2Very high79 Ų7980.8 Ų80.855%0.55239%0.393SS*.Hα-helixtrans-62.5-44.4175.4-177.70000112E63 Q64 I65 K70 K71E63-S67 WeakPolarHBondContact O-CB 3.26Å; E63-S67 PolarHBondContact O-N 2.72Å; Q64-S67 WeakPolarHBondContact O-CB 3.26Å; Q64-S67 PolarHBondContact O-N 3.27Å; I65-S67 VanDerWaalsContact C-N 3.33Å; I65-S67 PolarHBondContact O-N 3.19Å; S67-K70 PolarHBondContact O-N 2.98Å; S67-K71 PolarHBondContact O-N 3.29Å
68L97.6Very high97.3Very high28 Ų2879.9 Ų79.915%0.14739%0.391CS..Hα-helixtrans-61.5-44.8174.9-74.5170.9000111.8I35 Q38 R42 Q64 I65 K70 K71 G72I35-L68 HydrophobicContact CG2-CB 4.35Å; I35-L68 VanDerWaalsContact CG2-O 3.28Å; I35-L68 WeakPolarHBondContact CG2-O 3.44Å; Q38-L68 HydrophobicContact CB-CD1 4.46Å; R42-L68 VanDerWaalsContact CD-CD1 3.47Å; Q64-L68 WeakPolarHBondContact O-CG 3.47Å; Q64-L68 PolarHBondContact O-N 3.26Å; I65-L68 PolarHBondContact O-N 3.47Å; L68-K70 VanDerWaalsContact C-N 3.33Å; L68-K70 PolarHBondContact O-N 2.77Å; L68-K71 PolarHBondContact O-N 3.35Å; L68-G72 PolarHBondContact O-N 3.3Å
69F96.9Very high97.3Very high139 Ų13978.2 Ų78.261%0.6139%0.387SS*.Hα-helixtrans-60.2-44176.7-176.2-95000111.8I65 Q66 K71 G72 K73I65-F69 PolarHBondContact O-N 2.97Å; Q66-F69 PolarHBondContact O-N 3.49Å; F69-K71 PolarHBondContact O-N 2.84Å; F69-G72 PolarHBondContact O-N 3.19Å; F69-K73 WeakPolarHBondContact O-CB 3.13Å; F69-K73 PolarHBondContact O-N 3.5Å
70K97.8Very high97.4Very high135 Ų13575.4 Ų75.459%0.58738%0.38SS*.Hα-helixtrans-59.2-47.4176.2-174.6-178.8175.8-173.10111.3Q66 S67 L68 G72 K73 E74Q66-K70 WeakPolarHBondContact O-CB 3.44Å; Q66-K70 PolarHBondContact O-N 3.39Å; S67-K70 PolarHBondContact O-N 2.98Å; L68-K70 VanDerWaalsContact C-N 3.33Å; L68-K70 PolarHBondContact O-N 2.77Å; K70-G72 PolarHBondContact O-N 3.02Å; K70-K73 WeakPolarHBondContact O-CB 3.27Å; K70-K73 PolarHBondContact O-N 3.35Å; K70-E74 WeakPolarHBondContact CE-OE1 3.18Å; K70-E74 WeakPolarHBondContact O-CG 3.26Å; K70-E74 PolarHBondContact O-N 2.94Å
71K97.7Very high97.5Very high117 Ų11776.9 Ų76.951%0.50939%0.388SS..Hα-helixtrans-61-43.3176.7-174.5179.81801790112.2I35 S67 L68 F69 K73 E74 I75I35-K71 HydrophobicContact CD1-CB 4.44Å; I35-K71 HydrophobicContact CD1-CD 4.15Å; I35-K71 HydrophobicContact CD1-CG 3.97Å; S67-K71 PolarHBondContact O-N 3.29Å; L68-K71 PolarHBondContact O-N 3.35Å; F69-K71 PolarHBondContact O-N 2.84Å; K71-K73 VanDerWaalsContact C-N 3.31Å; K71-K73 PolarHBondContact O-N 3.26Å; K71-E74 PolarHBondContact O-N 2.77Å; K71-I75 HydrophobicContact CG-CD1 4.31Å; K71-I75 WeakPolarHBondContact O-CG1 3.28Å; K71-I75 PolarHBondContact O-N 3.27Å; K71-I75 VanDerWaalsContact O-N 3.1Å
72G97.8Very high97.5Very high9 Ų979 Ų799%0.09340%0.395CS..Hα-helixtrans-61.3-40.6176.200000112.1L68 F69 K70 I75 S76L68-G72 PolarHBondContact O-N 3.3Å; F69-G72 PolarHBondContact O-N 3.19Å; K70-G72 PolarHBondContact O-N 3.02Å; G72-I75 PolarHBondContact O-N 2.83Å; G72-S76 WeakPolarHBondContact O-CB 3.37Å; G72-S76 PolarHBondContact O-N 3.38Å
73K97.4Very high97.5Very high126 Ų12677.5 Ų77.555%0.54839%0.393SS..Hα-helixtrans-64.3-43.2175.7-174.1177.81801790112.4F69 K70 K71 S76 N77F69-K73 WeakPolarHBondContact O-CB 3.13Å; F69-K73 PolarHBondContact O-N 3.5Å; K70-K73 WeakPolarHBondContact O-CB 3.27Å; K70-K73 PolarHBondContact O-N 3.35Å; K71-K73 VanDerWaalsContact C-N 3.31Å; K71-K73 PolarHBondContact O-N 3.26Å; K73-S76 PolarHBondContact O-N 3.11Å; K73-N77 VanDerWaalsContact O-CG 3.27Å; K73-N77 PolarHBondContact O-N 3.42Å; K73-N77 PolarHBondContact O-OD1 3.37Å
74E98.2Very high97.5Very high98 Ų9878.2 Ų78.246%0.45840%0.397SS..Hα-helixtrans-58.9-48.8176.4-72.8167.3-175.400111.2K70 K71 S76 N77 D78K70-E74 WeakPolarHBondContact CE-OE1 3.18Å; K70-E74 WeakPolarHBondContact O-CG 3.26Å; K70-E74 PolarHBondContact O-N 2.94Å; K71-E74 PolarHBondContact O-N 2.77Å; E74-S76 VanDerWaalsContact C-N 3.31Å; E74-S76 PolarHBondContact O-N 2.92Å; E74-N77 WeakPolarHBondContact O-CB 2.98Å; E74-N77 PolarHBondContact O-N 3.31Å; E74-D78 PolarHBondContact O-N 2.97Å
75I97.9Very high97.4Very high22 Ų2277.6 Ų77.611%0.11340%0.401CS..Hα-helixtrans-62.9-39.1177.3-62.9172.9000111.5L28 K31 V32 I35 K71 G72 N77 D78 K79L28-I75 HydrophobicContact CB-CG2 4.02Å; L28-I75 HydrophobicContact CD2-CG2 3.82Å; L28-I75 HydrophobicContact CG-CG2 4.49Å; K31-I75 HydrophobicContact CB-CD1 4.26Å; K31-I75 HydrophobicContact CB-CG2 4.45Å; V32-I75 HydrophobicContact CG2-CB 3.91Å; V32-I75 HydrophobicContact CG2-CG2 3.52Å; I35-I75 HydrophobicContact CD1-CD1 3.6Å; K71-I75 HydrophobicContact CG-CD1 4.31Å; K71-I75 WeakPolarHBondContact O-CG1 3.28Å; K71-I75 PolarHBondContact O-N 3.27Å; K71-I75 VanDerWaalsContact O-N 3.1Å; G72-I75 PolarHBondContact O-N 2.83Å; I75-N77 VanDerWaalsContact C-N 3.33Å; I75-N77 PolarHBondContact O-N 3.21Å; I75-D78 PolarHBondContact O-N 3.49Å; I75-K79 PolarHBondContact O-N 3.42Å
76S98Very high97.2Very high48 Ų4876.6 Ų76.634%0.33640%0.397SS..Hα-helixtrans-63.8-39176.4-171.80000112.1G72 K73 E74 K79 V80G72-S76 WeakPolarHBondContact O-CB 3.37Å; G72-S76 PolarHBondContact O-N 3.38Å; K73-S76 PolarHBondContact O-N 3.11Å; E74-S76 VanDerWaalsContact C-N 3.31Å; E74-S76 PolarHBondContact O-N 2.92Å; S76-K79 WeakPolarHBondContact O-CB 3.3Å; S76-K79 PolarHBondContact O-N 3.45Å; S76-V80 WeakPolarHBondContact O-CG2 3.23Å; S76-V80 PolarHBondContact O-N 3Å; S76-V80 VanDerWaalsContact O-N 3.11Å
77N97.8Very high97.1Very high89 Ų8978 Ų7848%0.47640%0.398SS..Hα-helixtrans-65-42.6175.4-68.9-15.6000111K73 E74 I75 K79 V80 S81K73-N77 VanDerWaalsContact O-CG 3.27Å; K73-N77 PolarHBondContact O-N 3.42Å; K73-N77 PolarHBondContact O-OD1 3.37Å; E74-N77 WeakPolarHBondContact O-CB 2.98Å; E74-N77 PolarHBondContact O-N 3.31Å; I75-N77 VanDerWaalsContact C-N 3.33Å; I75-N77 PolarHBondContact O-N 3.21Å; N77-K79 PolarHBondContact O-N 2.91Å; N77-V80 PolarHBondContact O-N 3.43Å; N77-V80 VanDerWaalsContact O-N 3.16Å; N77-S81 PolarHBondContact O-N 2.92Å
78D97.7Very high96.9Very high83 Ų8379.3 Ų79.344%0.44440%0.396SS..Hα-helixtrans-60.6-35.4176.1-73.1-4.7000112.3E74 I75 R82E74-D78 PolarHBondContact O-N 2.97Å; I75-D78 PolarHBondContact O-N 3.49Å; D78-R82 WeakPolarHBondContact O-CG 3.35Å; D78-R82 PolarHBondContact O-N 3.23Å; D78-R82 VanDerWaalsContact O-N 3.13Å
79K97.1Very high96.6Very high60 Ų6080.3 Ų80.326%0.26140%0.401SS..Hα-helixtrans-65.6-46.6174.1-175-160.2174.6-172.60111.3M25 L28 D29 I75 S76 N77 S81 R82 A83M25-K79 HydrophobicContact CB-CG 4.34Å; M25-K79 HydrophobicContact CG-CG 4.11Å; L28-K79 HydrophobicContact CB-CB 4.41Å; L28-K79 HydrophobicContact CD1-CB 4.3Å; D29-K79 WeakPolarHBondContact OD1-CD 3.4Å; D29-K79 WeakPolarHBondContact OD1-CE 3.46Å; D29-K79 IonicContact OD1-NZ 3.99Å; D29-K79 PolarHBondContact OD1-NZ 3.24Å; D29-K79 WeakPolarHBondContact OD2-CE 3.32Å; D29-K79 IonicContact OD2-NZ 3.86Å; D29-K79 PolarHBondContact OD2-NZ 3.03Å; I75-K79 PolarHBondContact O-N 3.42Å; S76-K79 WeakPolarHBondContact O-CB 3.3Å; S76-K79 PolarHBondContact O-N 3.45Å; N77-K79 PolarHBondContact O-N 2.91Å; K79-S81 VanDerWaalsContact C-N 3.34Å; K79-S81 PolarHBondContact O-N 2.91Å; K79-R82 PolarHBondContact O-N 3.34Å; K79-A83 PolarHBondContact O-N 3.36Å
80V97.9Very high96.5Very high71 Ų7176.2 Ų76.243%0.4339%0.387SS..Hα-helixtrans-60.4-46.2178.11730000110.4S76 N77 R82 A83 E84S76-V80 WeakPolarHBondContact O-CG2 3.23Å; S76-V80 PolarHBondContact O-N 3Å; S76-V80 VanDerWaalsContact O-N 3.11Å; N77-V80 PolarHBondContact O-N 3.43Å; N77-V80 VanDerWaalsContact O-N 3.16Å; V80-R82 VanDerWaalsContact C-N 3.28Å; V80-R82 PolarHBondContact O-N 2.95Å; V80-A83 WeakPolarHBondContact O-CB 3.49Å; V80-A83 PolarHBondContact O-N 2.9Å; V80-A83 VanDerWaalsContact O-N 3.08Å; V80-E84 HydrophobicContact CG1-CG 4.41Å; V80-E84 WeakPolarHBondContact O-CG 3.48Å; V80-E84 PolarHBondContact O-N 3.29Å
81S97.3Very high96.3Very high70 Ų7071 Ų7149%0.4937%0.366SS..Hα-helixtrans-59.3-38177.8-178.80000112.8N77 K79 S85N77-S81 PolarHBondContact O-N 2.92Å; K79-S81 VanDerWaalsContact C-N 3.34Å; K79-S81 PolarHBondContact O-N 2.91Å; S81-S85 PolarHBondContact O-N 3.25Å
82R96.9Very high96Very high80 Ų8072.1 Ų72.130%0.30237%0.371SS..Hα-helixtrans-66.4-43.5173-77.6-176.9170.781.7-1.3112.8I24 M25 D78 K79 V80 E84 S85 A86I24-R82 VanDerWaalsContact CG2-NE 3.3Å; M25-R82 HydrophobicContact CG-CB 3.98Å; M25-R82 HydrophobicContact SD-CB 4.38Å; D78-R82 WeakPolarHBondContact O-CG 3.35Å; D78-R82 PolarHBondContact O-N 3.23Å; D78-R82 VanDerWaalsContact O-N 3.13Å; K79-R82 PolarHBondContact O-N 3.34Å; V80-R82 VanDerWaalsContact C-N 3.28Å; V80-R82 PolarHBondContact O-N 2.95Å; R82-E84 VanDerWaalsContact C-N 3.3Å; R82-E84 PolarHBondContact O-N 2.66Å; R82-S85 PolarHBondContact O-N 3.35Å; R82-A86 WeakPolarHBondContact O-CB 3.4Å; R82-A86 PolarHBondContact O-N 3.37Å
83A97Very high95.6Very high43 Ų4373 Ų7336%0.35537%0.372SS..Hα-helixtrans-60-42.817700000111.4M25 K79 V80 A86 Y87M25-A83 HydrophobicContact SD-CB 3.74Å; K79-A83 PolarHBondContact O-N 3.36Å; V80-A83 WeakPolarHBondContact O-CB 3.49Å; V80-A83 PolarHBondContact O-N 2.9Å; V80-A83 VanDerWaalsContact O-N 3.08Å; A83-A86 PolarHBondContact O-N 3.48Å; A83-Y87 WeakPolarHBondContact O-CB 3.07Å; A83-Y87 PolarHBondContact O-N 2.77Å
84E96.5Very high95.3Very high116 Ų11670.8 Ų70.854%0.54237%0.366SS..Hα-helixtrans-60.2-48174.2-70.6172.1168.600111.5V80 R82 A86 Y87 E88V80-E84 HydrophobicContact CG1-CG 4.41Å; V80-E84 WeakPolarHBondContact O-CG 3.48Å; V80-E84 PolarHBondContact O-N 3.29Å; R82-E84 VanDerWaalsContact C-N 3.3Å; R82-E84 PolarHBondContact O-N 2.66Å; E84-A86 VanDerWaalsContact C-N 3.31Å; E84-A86 PolarHBondContact O-N 3.03Å; E84-Y87 WeakPolarHBondContact O-CB 3.49Å; E84-Y87 PolarHBondContact O-N 2.92Å; E84-E88 WeakPolarHBondContact O-CG 3.45Å; E84-E88 PolarHBondContact O-N 3.06Å
85S94Very high95Very high67 Ų6773.4 Ų73.447%0.46937%0.371SS..Hα-helixtrans-61.4-38.1177.3-173.20000112.7S81 R82 L89S81-S85 PolarHBondContact O-N 3.25Å; R82-S85 PolarHBondContact O-N 3.35Å; S85-L89 WeakPolarHBondContact O-CB 3.41Å; S85-L89 PolarHBondContact O-N 2.81Å; S85-L89 VanDerWaalsContact O-N 3.11Å
86A94.6Very high94.6Very high6 Ų676.1 Ų76.15%0.0538%0.38CS..Hα-helixtrans-68.2-40.8177.400000111.4L18 E21 R82 A83 E84 L89 V90L18-A86 HydrophobicContact CD2-CB 3.95Å; E21-A86 HydrophobicContact CB-CB 4.49Å; R82-A86 WeakPolarHBondContact O-CB 3.4Å; R82-A86 PolarHBondContact O-N 3.37Å; A83-A86 PolarHBondContact O-N 3.48Å; E84-A86 VanDerWaalsContact C-N 3.31Å; E84-A86 PolarHBondContact O-N 3.03Å; A86-L89 PolarHBondContact O-N 3.25Å; A86-V90 PolarHBondContact O-N 3.49Å
87Y94.8Very high94.2Very high152 Ų15276.6 Ų76.660%0.59638%0.379SS*.Hα-helixtrans-61.2-50.6174.9-178.7-90.7000111.5A83 E84 L89 V90 D91A83-Y87 WeakPolarHBondContact O-CB 3.07Å; A83-Y87 PolarHBondContact O-N 2.77Å; E84-Y87 WeakPolarHBondContact O-CB 3.49Å; E84-Y87 PolarHBondContact O-N 2.92Å; Y87-L89 PolarHBondContact O-N 3.26Å; Y87-V90 PolarHBondContact O-N 2.98Å; Y87-V90 VanDerWaalsContact O-N 3.17Å; Y87-D91 HydrophobicContact CD1-CB 4.49Å; Y87-D91 HydrophobicContact CE1-CB 4.23Å; Y87-D91 WeakPolarHBondContact O-CB 3.11Å; Y87-D91 PolarHBondContact O-N 3.31Å
88E94.4Very high93.8Very high106 Ų10676.7 Ų76.750%0.49538%0.379SS..Hα-helixtrans-58.8-36.3178.1-73.9-63.414500112.5E84 K92E84-E88 WeakPolarHBondContact O-CG 3.45Å; E84-E88 PolarHBondContact O-N 3.06Å; E88-K92 VanDerWaalsContact O-CB 3.25Å; E88-K92 WeakPolarHBondContact O-CB 3.45Å; E88-K92 PolarHBondContact O-N 3.02Å
89L91.6Very high93.5Very high49 Ų4975.2 Ų75.226%0.25738%0.378SS..Hα-helixtrans-65.6-42.2178.5-174.466.7000112.1L14 H17 L18 S85 A86 Y87L14-L89 HydrophobicContact CD1-CB 4.42Å; L14-L89 HydrophobicContact CD1-CD1 4.35Å; L14-L89 HydrophobicContact CD1-CD2 3.22Å; L14-L89 HydrophobicContact CD1-CG 3.38Å; H17-L89 WeakPolarHBondContact ND1-CD2 3.45Å; L18-L89 HydrophobicContact CD2-CD2 4.4Å; S85-L89 WeakPolarHBondContact O-CB 3.41Å; S85-L89 PolarHBondContact O-N 2.81Å; S85-L89 VanDerWaalsContact O-N 3.11Å; A86-L89 PolarHBondContact O-N 3.25Å; Y87-L89 PolarHBondContact O-N 3.26Å
90V93.4Very high93Very high54 Ų5474.3 Ų74.333%0.32738%0.377SS..Hα-helixtrans-69.5-47.8176175.20000110.5L18 A86 Y87 K92 Q93 I94L18-V90 HydrophobicContact CD1-CG2 3.61Å; L18-V90 HydrophobicContact CD2-CG2 4.03Å; L18-V90 HydrophobicContact CG-CG2 4.44Å; A86-V90 PolarHBondContact O-N 3.49Å; Y87-V90 PolarHBondContact O-N 2.98Å; Y87-V90 VanDerWaalsContact O-N 3.17Å; V90-K92 VanDerWaalsContact C-N 3.27Å; V90-K92 PolarHBondContact O-N 3.07Å; V90-Q93 WeakPolarHBondContact O-CB 3.2Å; V90-Q93 PolarHBondContact O-N 3.36Å; V90-I94 HydrophobicContact CG1-CD1 4Å; V90-I94 HydrophobicContact CG1-CG1 4.46Å; V90-I94 PolarHBondContact O-N 3.33Å; V90-I94 VanDerWaalsContact O-N 3.07Å
91D94.5Very high92.6Very high26 Ų2675.7 Ų75.714%0.13938%0.379CS..Hα-helixtrans-59-39-179.2-172.165.6000111.7Y87 Q93 I94 R95Y87-D91 HydrophobicContact CD1-CB 4.49Å; Y87-D91 HydrophobicContact CE1-CB 4.23Å; Y87-D91 WeakPolarHBondContact O-CB 3.11Å; Y87-D91 PolarHBondContact O-N 3.31Å; D91-Q93 VanDerWaalsContact C-N 3.28Å; D91-Q93 PolarHBondContact O-N 3.01Å; D91-I94 PolarHBondContact O-N 3.23Å; D91-I94 VanDerWaalsContact O-N 3.15Å; D91-R95 WeakPolarHBondContact O-CG 3.35Å; D91-R95 PolarHBondContact O-N 2.89Å; D91-R95 IonicContact OD2-CZ 2.72Å; D91-R95 IonicContact OD2-NE 2.71Å; D91-R95 PolarHBondContact OD2-NE 3.47Å; D91-R95 IonicContact OD2-NH2 3.67Å; D91-R95 PolarHBondContact OD2-NH2 3.39Å
92K91.4Very high92.2Very high140 Ų14078.3 Ų78.361%0.60938%0.382SS*.Hα-helixtrans-56.6-39.7172.1-178.5179.2178.6-177.80112.9E88 V90 R96E88-K92 VanDerWaalsContact O-CB 3.25Å; E88-K92 WeakPolarHBondContact O-CB 3.45Å; E88-K92 PolarHBondContact O-N 3.02Å; V90-K92 VanDerWaalsContact C-N 3.27Å; V90-K92 PolarHBondContact O-N 3.07Å; K92-R96 WeakPolarHBondContact O-CB 3.47Å; K92-R96 PolarHBondContact O-N 2.91Å; K92-R96 VanDerWaalsContact O-N 3.12Å
93Q89.2Confident91.9Very high27 Ų2779.3 Ų79.313%0.12639%0.39CS..Hα-helixtrans-73.1-35.1177.9-58-47.9-36.500112.4L11 L14 V90 D91 R96 L97L11-Q93 HydrophobicContact CD2-CB 4.05Å; L11-Q93 HydrophobicContact CD2-CG 3.74Å; L14-Q93 HydrophobicContact CD2-CG 3.84Å; V90-Q93 WeakPolarHBondContact O-CB 3.2Å; V90-Q93 PolarHBondContact O-N 3.36Å; D91-Q93 VanDerWaalsContact C-N 3.28Å; D91-Q93 PolarHBondContact O-N 3.01Å; Q93-R96 PolarHBondContact O-N 3.18Å; Q93-L97 PolarHBondContact O-N 2.95Å
94I91.4Very high91.5Very high80 Ų8082 Ų8241%0.4139%0.394SS..Hα-helixtrans-63.5-51.2174.4-64.1171.8000109.7V90 D91 R96 L97 D98V90-I94 HydrophobicContact CG1-CD1 4Å; V90-I94 HydrophobicContact CG1-CG1 4.46Å; V90-I94 PolarHBondContact O-N 3.33Å; V90-I94 VanDerWaalsContact O-N 3.07Å; D91-I94 PolarHBondContact O-N 3.23Å; D91-I94 VanDerWaalsContact O-N 3.15Å; I94-R96 PolarHBondContact O-N 3.38Å; I94-L97 WeakPolarHBondContact O-CB 3.47Å; I94-L97 PolarHBondContact O-N 3.5Å; I94-D98 PolarHBondContact O-N 3.08Å
95R91.9Very high90.9Very high152 Ų15280.5 Ų80.557%0.57439%0.386SS*.Hα-helixtrans-58.4-37.3177.9-68.1-176.1-164.8-179.39.7112.7D91 A99D91-R95 WeakPolarHBondContact O-CG 3.35Å; D91-R95 PolarHBondContact O-N 2.89Å; D91-R95 IonicContact OD2-CZ 2.72Å; D91-R95 IonicContact OD2-NE 2.71Å; D91-R95 PolarHBondContact OD2-NE 3.47Å; D91-R95 IonicContact OD2-NH2 3.67Å; D91-R95 PolarHBondContact OD2-NH2 3.39Å; R95-A99 WeakPolarHBondContact O-CB 3.44Å; R95-A99 PolarHBondContact O-N 3.13Å
96R89.4Confident90.7Very high80 Ų8082.2 Ų82.230%0.30239%0.385SS..Hα-helixtrans-64.8-47.2174.9179.6-179.3175.3-173.70.1111.4D10 K92 Q93 I94 D98 A99 D100D10-R96 IonicContact OD2-CZ 2.63Å; D10-R96 IonicContact OD2-NH1 3.45Å; D10-R96 PolarHBondContact OD2-NH1 3.29Å; D10-R96 IonicContact OD2-NH2 3.37Å; D10-R96 PolarHBondContact OD2-NH2 3.09Å; K92-R96 WeakPolarHBondContact O-CB 3.47Å; K92-R96 PolarHBondContact O-N 2.91Å; K92-R96 VanDerWaalsContact O-N 3.12Å; Q93-R96 PolarHBondContact O-N 3.18Å; I94-R96 PolarHBondContact O-N 3.38Å; R96-D98 VanDerWaalsContact C-N 3.33Å; R96-D98 PolarHBondContact O-N 3.3Å; R96-A99 PolarHBondContact O-N 2.92Å; R96-D100 IonicContact NE-OD2 3.17Å; R96-D100 WeakPolarHBondContact O-CB 3.41Å; R96-D100 PolarHBondContact O-N 3.39Å
97L88.9Confident90.4Very high58 Ų5883.8 Ų83.830%0.30440%0.398SS..Hα-helixtrans-58.2-46.8175.6-82.3173.1000111.8Y7 Q93 I94 A99 D100 M101Y7-L97 HydrophobicContact CD1-CD2 4.02Å; Y7-L97 HydrophobicContact CD2-CD2 4.14Å; Y7-L97 HydrophobicContact CE1-CD1 4.01Å; Y7-L97 HydrophobicContact CE1-CD2 3.47Å; Y7-L97 VanDerWaalsContact CE1-CD2 3.47Å; Y7-L97 HydrophobicContact CE1-CG 3.91Å; Y7-L97 HydrophobicContact CE2-CD2 3.63Å; Y7-L97 HydrophobicContact CE2-CG 3.71Å; Y7-L97 HydrophobicContact CG-CD2 4.34Å; Y7-L97 WeakPolarHBondContact OH-CD1 3.29Å; Y7-L97 WeakPolarHBondContact OH-CG 3.49Å; Q93-L97 PolarHBondContact O-N 2.95Å; I94-L97 WeakPolarHBondContact O-CB 3.47Å; I94-L97 PolarHBondContact O-N 3.5Å; L97-A99 VanDerWaalsContact C-N 3.32Å; L97-A99 PolarHBondContact O-N 2.98Å; L97-D100 PolarHBondContact O-N 3.26Å; L97-M101 VanDerWaalsContact O-CB 3.3Å; L97-M101 WeakPolarHBondContact O-CB 3.42Å; L97-M101 VanDerWaalsContact O-CG 3.28Å; L97-M101 WeakPolarHBondContact O-CG 3.25Å; L97-M101 PolarHBondContact O-N 2.92Å
98D91.1Very high90.1Very high90 Ų9081.3 Ų81.348%0.48139%0.394SS..Hα-helixtrans-60.9-43.2-179.9-70.6-24000111.5I94 R96 F102I94-D98 PolarHBondContact O-N 3.08Å; R96-D98 VanDerWaalsContact C-N 3.33Å; R96-D98 PolarHBondContact O-N 3.3Å; D98-F102 WeakPolarHBondContact O-CB 3.35Å; D98-F102 PolarHBondContact O-N 3.47Å
99A89.5Confident89.8Confident52 Ų5278.1 Ų78.143%0.4339%0.387SS..Hα-helixtrans-63.4-45.5176.100000112.1R95 R96 L97 F102 E103R95-A99 WeakPolarHBondContact O-CB 3.44Å; R95-A99 PolarHBondContact O-N 3.13Å; R96-A99 PolarHBondContact O-N 2.92Å; L97-A99 VanDerWaalsContact C-N 3.32Å; L97-A99 PolarHBondContact O-N 2.98Å; A99-F102 WeakPolarHBondContact O-CB 3.35Å; A99-F102 PolarHBondContact O-N 3.08Å; A99-E103 PolarHBondContact O-N 2.91Å
100D88.6Confident89.7Confident42 Ų4280.3 Ų80.323%0.22540%0.396CS..Hα-helixtrans-68.2-39.9179.7-70.4-25.1000111.1Y3 R96 L97 F102 E103 F104Y3-D100 HydrophobicContact CE2-CB 4.12Å; Y3-D100 WeakPolarHBondContact CE2-OD2 3.44Å; Y3-D100 VanDerWaalsContact CZ-OD2 3.3Å; Y3-D100 WeakPolarHBondContact OH-CB 3.44Å; Y3-D100 PolarHBondContact OH-OD2 2.96Å; R96-D100 IonicContact NE-OD2 3.17Å; R96-D100 WeakPolarHBondContact O-CB 3.41Å; R96-D100 PolarHBondContact O-N 3.39Å; L97-D100 PolarHBondContact O-N 3.26Å; D100-F102 VanDerWaalsContact C-N 3.29Å; D100-F102 PolarHBondContact O-N 2.88Å; D100-E103 PolarHBondContact O-N 3.39Å; D100-F104 HydrophobicContact CB-CE2 4.28Å; D100-F104 WeakPolarHBondContact O-CD2 3.07Å; D100-F104 WeakPolarHBondContact O-CG 3.33Å; D100-F104 PolarHBondContact O-N 3.07Å
101M88.6Confident89.4Confident99 Ų9984.3 Ų84.349%0.48841%0.408SS..Hα-helixtrans-59.3-40.4171.9-78.1-171.469.800111.8L97 F104 K105L97-M101 VanDerWaalsContact O-CB 3.3Å; L97-M101 WeakPolarHBondContact O-CB 3.42Å; L97-M101 VanDerWaalsContact O-CG 3.28Å; L97-M101 WeakPolarHBondContact O-CG 3.25Å; L97-M101 PolarHBondContact O-N 2.92Å; M101-F104 PolarHBondContact O-N 3.21Å; M101-K105 WeakPolarHBondContact O-CB 3.09Å; M101-K105 VanDerWaalsContact O-CG 3.24Å; M101-K105 WeakPolarHBondContact O-CG 3.14Å; M101-K105 PolarHBondContact O-N 3.45Å
102F89.8Confident88.8Confident126 Ų12686 Ų8655%0.55342%0.416SS*.Hα-helixtrans-62.7-46.1175.8178.7-97.4000111.8D98 A99 D100 F104 K105 K106D98-F102 WeakPolarHBondContact O-CB 3.35Å; D98-F102 PolarHBondContact O-N 3.47Å; A99-F102 WeakPolarHBondContact O-CB 3.35Å; A99-F102 PolarHBondContact O-N 3.08Å; D100-F102 VanDerWaalsContact C-N 3.29Å; D100-F102 PolarHBondContact O-N 2.88Å; F102-F104 PolarHBondContact O-N 3.4Å; F102-K105 PolarHBondContact O-N 3.44Å; F102-K106 PolarHBondContact O-N 3.16Å
103E89.4Confident88.2Confident100 Ų10082.7 Ų82.747%0.46741%0.41SS..Hα-helixtrans-65-38.9176.9-71-57.7141.200112.3A99 D100 K105 K106 A107A99-E103 PolarHBondContact O-N 2.91Å; D100-E103 PolarHBondContact O-N 3.39Å; E103-K105 PolarHBondContact O-N 2.9Å; E103-K106 PolarHBondContact O-N 2.68Å; E103-A107 WeakPolarHBondContact O-CB 3.42Å; E103-A107 PolarHBondContact O-N 2.94Å
104F88.1Confident87.7Confident100 Ų10088.2 Ų88.244%0.43943%0.433SS..Hα-helixtrans-62.3-42.8173.8-73.4-53.1000112.3Y3 D100 M101 F102 A107 L108Y3-F104 AromaticContact CD1-CE2 3.66Å; Y3-F104 HydrophobicContact CD1-CE2 3.66Å; Y3-F104 AromaticContact CD1-CZ 3.55Å; Y3-F104 HydrophobicContact CD1-CZ 3.55Å; Y3-F104 HydrophobicContact CD2-CE2 4.34Å; Y3-F104 AromaticContact CD2-CZ 3.89Å; Y3-F104 HydrophobicContact CD2-CZ 3.89Å; Y3-F104 AromaticContact CE1-CE2 3.5Å; Y3-F104 HydrophobicContact CE1-CE2 3.5Å; Y3-F104 AromaticContact CE1-CZ 3.88Å; Y3-F104 HydrophobicContact CE1-CZ 3.88Å; Y3-F104 HydrophobicContact CE2-CE2 4.17Å; Y3-F104 HydrophobicContact CE2-CZ 4.16Å; Y3-F104 HydrophobicContact CG-CE2 4.12Å; Y3-F104 AromaticContact CG-CZ 3.59Å; Y3-F104 HydrophobicContact CG-CZ 3.59Å; Y3-F104 AromaticContact CZ-CE2 3.79Å; D100-F104 HydrophobicContact CB-CE2 4.28Å; D100-F104 WeakPolarHBondContact O-CD2 3.07Å; D100-F104 WeakPolarHBondContact O-CG 3.33Å; D100-F104 PolarHBondContact O-N 3.07Å; M101-F104 PolarHBondContact O-N 3.21Å; F102-F104 PolarHBondContact O-N 3.4Å; F104-A107 PolarHBondContact O-N 3.34Å; F104-L108 WeakPolarHBondContact O-CG 3.46Å; F104-L108 PolarHBondContact O-N 3.11Å
105K85.4Confident86.8Confident85 Ų8591.9 Ų91.937%0.3745%0.446SS..Hα-helixtrans-60.5-46.6176.1-74.7170.5-1781760111.4M101 F102 E103 A107 L108 A109M101-K105 WeakPolarHBondContact O-CB 3.09Å; M101-K105 VanDerWaalsContact O-CG 3.24Å; M101-K105 WeakPolarHBondContact O-CG 3.14Å; M101-K105 PolarHBondContact O-N 3.45Å; F102-K105 PolarHBondContact O-N 3.44Å; E103-K105 PolarHBondContact O-N 2.9Å; K105-A107 VanDerWaalsContact C-N 3.35Å; K105-A107 PolarHBondContact O-N 3.02Å; K105-L108 PolarHBondContact O-N 3.31Å; K105-A109 PolarHBondContact O-N 3.17Å; K105-A109 VanDerWaalsContact O-N 3.07Å
106K88.5Confident85.7Confident102 Ų10288.8 Ų88.844%0.44344%0.444SS..Hα-helixtrans-58.8-45.6176.7-176.6-178.5173.8-172.20111.8F102 E103 L108 A109 E110F102-K106 PolarHBondContact O-N 3.16Å; E103-K106 PolarHBondContact O-N 2.68Å; K106-L108 VanDerWaalsContact C-N 3.29Å; K106-L108 PolarHBondContact O-N 3.49Å; K106-A109 PolarHBondContact O-N 2.94Å; K106-E110 WeakPolarHBondContact O-CG 3.47Å; K106-E110 PolarHBondContact O-N 2.63Å
107A88.9Confident84.4Confident39 Ų3992.6 Ų92.632%0.32246%0.463SS..Hα-helixtrans-63.5-32.9178.100000113.1E103 F104 K105 K111E103-A107 WeakPolarHBondContact O-CB 3.42Å; E103-A107 PolarHBondContact O-N 2.94Å; F104-A107 PolarHBondContact O-N 3.34Å; K105-A107 VanDerWaalsContact C-N 3.35Å; K105-A107 PolarHBondContact O-N 3.02Å; A107-K111 VanDerWaalsContact O-CG 3.3Å; A107-K111 WeakPolarHBondContact O-CG 3.44Å; A107-K111 PolarHBondContact O-N 3.34Å
108L87.7Confident82.9Confident100 Ų10098 Ų9852%0.52448%0.484SS..Hα-helixtrans-68-48.4174.1-71.6172.3000111.5F104 K105 K106 E110 K111 E112F104-L108 WeakPolarHBondContact O-CG 3.46Å; F104-L108 PolarHBondContact O-N 3.11Å; K105-L108 PolarHBondContact O-N 3.31Å; K106-L108 VanDerWaalsContact C-N 3.29Å; K106-L108 PolarHBondContact O-N 3.49Å; L108-E110 VanDerWaalsContact C-N 3.3Å; L108-E110 PolarHBondContact O-N 3.16Å; L108-K111 PolarHBondContact O-N 3.03Å; L108-K111 VanDerWaalsContact O-N 3.11Å; L108-E112 WeakPolarHBondContact O-CG 3.38Å; L108-E112 PolarHBondContact O-N 2.92Å
109A88.5Confident81.2Confident40 Ų4097.5 Ų97.533%0.33149%0.487SS..Hα-helixtrans-59.6-38.4178.500000112.7K105 K106 E112 S113K105-A109 PolarHBondContact O-N 3.17Å; K105-A109 VanDerWaalsContact O-N 3.07Å; K106-A109 PolarHBondContact O-N 2.94Å; A109-E112 PolarHBondContact O-N 3.44Å; A109-S113 WeakPolarHBondContact O-CB 3.32Å; A109-S113 PolarHBondContact O-N 3.27Å; A109-S113 PolarHBondContact O-OG 3.46Å
110E89.4Confident79.6Confident95 Ų95105.7 Ų105.744%0.44451%0.507SS..Hα-helixtrans-67.1-39.4175.1-72.7-177.5-171.800112.9K106 L108 E112 S113 K114K106-E110 WeakPolarHBondContact O-CG 3.47Å; K106-E110 PolarHBondContact O-N 2.63Å; L108-E110 VanDerWaalsContact C-N 3.3Å; L108-E110 PolarHBondContact O-N 3.16Å; E110-E112 VanDerWaalsContact C-N 3.34Å; E110-S113 PolarHBondContact O-N 3.47Å; E110-K114 WeakPolarHBondContact O-CG 3.32Å; E110-K114 PolarHBondContact O-N 3.45Å; E110-K114 VanDerWaalsContact O-N 3.11Å
111K86.3Confident77.7Confident137 Ų137109.4 Ų109.460%0.59653%0.531SS*.Hα-helixtrans-65.5-38.8177-78.3174.3-178.9175.50111.5A107 L108 K114 K115A107-K111 VanDerWaalsContact O-CG 3.3Å; A107-K111 WeakPolarHBondContact O-CG 3.44Å; A107-K111 PolarHBondContact O-N 3.34Å; L108-K111 PolarHBondContact O-N 3.03Å; L108-K111 VanDerWaalsContact O-N 3.11Å; K111-K114 PolarHBondContact O-N 3.45Å; K111-K115 PolarHBondContact O-N 2.72Å; K111-K115 VanDerWaalsContact O-N 3.09Å
112E81.8Confident75.9Confident63 Ų63113.7 Ų113.729%0.29455%0.547SS..Hα-helixtrans-67.3-44.4177-70.4176.2170.700111.9L108 A109 E110 K114 K115 V116 T136L108-E112 WeakPolarHBondContact O-CG 3.38Å; L108-E112 PolarHBondContact O-N 2.92Å; A109-E112 PolarHBondContact O-N 3.44Å; E110-E112 VanDerWaalsContact C-N 3.34Å; E112-K114 PolarHBondContact O-N 3.43Å; E112-K115 PolarHBondContact O-N 3.27Å; E112-K115 VanDerWaalsContact O-N 3.1Å; E112-V116 WeakPolarHBondContact O-CG2 3.42Å; E112-V116 PolarHBondContact O-N 2.86Å; E112-V116 VanDerWaalsContact O-N 3.11Å; E112-T136 WeakPolarHBondContact OE1-CB 3.48Å; E112-T136 VanDerWaalsContact OE1-CG2 3.23Å; E112-T136 WeakPolarHBondContact OE1-CG2 3.38Å; E112-T136 PolarHBondContact OE1-OG1 2.92Å; E112-T136 WeakPolarHBondContact OE2-CB 3.46Å; E112-T136 PolarHBondContact OE2-OG1 3.33Å
113S79Confident73.6Confident69 Ų69116.1 Ų116.148%0.48356%0.56SS.*Hα-helixtrans-58.4-36.2174.8-63.10000112.6A109 E110 K117A109-S113 WeakPolarHBondContact O-CB 3.32Å; A109-S113 PolarHBondContact O-N 3.27Å; A109-S113 PolarHBondContact O-OG 3.46Å; E110-S113 PolarHBondContact O-N 3.47Å; S113-K117 WeakPolarHBondContact O-CG 3.43Å; S113-K117 PolarHBondContact O-N 3.18Å
114K80.4Confident71.1Confident143 Ų143120.3 Ų120.362%0.62258%0.58SS**Hα-helixtrans-72.1-37.2175.6-73.6172.8-178169.80112.8E110 K111 E112 K117 K118E110-K114 WeakPolarHBondContact O-CG 3.32Å; E110-K114 PolarHBondContact O-N 3.45Å; E110-K114 VanDerWaalsContact O-N 3.11Å; K111-K114 PolarHBondContact O-N 3.45Å; E112-K114 PolarHBondContact O-N 3.43Å; K114-K117 PolarHBondContact O-N 3.02Å; K114-K118 PolarHBondContact O-N 3.28Å
115K72.2Confident68.6Low158 Ų158124.2 Ų124.269%0.68760%0.599SS**Hα-helixtrans-62.8-45.9176.2-78-178178.2179.30111.3K111 E112 K117 K118 S119K111-K115 PolarHBondContact O-N 2.72Å; K111-K115 VanDerWaalsContact O-N 3.09Å; E112-K115 PolarHBondContact O-N 3.27Å; E112-K115 VanDerWaalsContact O-N 3.1Å; K115-K117 VanDerWaalsContact C-N 3.33Å; K115-K117 PolarHBondContact O-N 3.47Å; K115-K118 PolarHBondContact O-N 3.38Å; K115-S119 PolarHBondContact O-N 3.45Å; K115-S119 VanDerWaalsContact O-N 3.15Å; K115-S119 PolarHBondContact O-OG 3.47Å
116V68.5Low66.3Low86 Ų86129 Ų12952%0.52162%0.623SS.*Hα-helixtrans-61.2-40178.7177.40000111.9E112 K118 S119 R120E112-V116 WeakPolarHBondContact O-CG2 3.42Å; E112-V116 PolarHBondContact O-N 2.86Å; E112-V116 VanDerWaalsContact O-N 3.11Å; V116-K118 PolarHBondContact O-N 3.1Å; V116-S119 PolarHBondContact O-OG 3.29Å; V116-R120 PolarHBondContact O-N 2.87Å
117K62.6Low63.9Low161 Ų161129.8 Ų129.870%0.764%0.639SS**Hα-helixtrans-65.1-36.8177-73.7-179.5-179.2-178.10112.7S113 K114 K115 T121S113-K117 WeakPolarHBondContact O-CG 3.43Å; S113-K117 PolarHBondContact O-N 3.18Å; K114-K117 PolarHBondContact O-N 3.02Å; K115-K117 VanDerWaalsContact C-N 3.33Å; K115-K117 PolarHBondContact O-N 3.47Å; K117-T121 PolarHBondContact O-OG1 2.95Å; K117-T121 VanDerWaalsContact O-OG1 3.1Å
118K57.4Low61.5Low172 Ų172134.8 Ų134.875%0.74867%0.665SS**Hα-helixtrans-74.9-32.7-178.5-162.3173.4-177176.30113K114 K115 V116K114-K118 PolarHBondContact O-N 3.28Å; K115-K118 PolarHBondContact O-N 3.38Å; V116-K118 PolarHBondContact O-N 3.1Å
119S55.3Low58.9Low78 Ų78136.1 Ų136.155%0.54568%0.677SS.*Hα-helixtrans-71.6-32.2173.826.60000112.4K115 V116 T121 K122K115-S119 PolarHBondContact O-N 3.45Å; K115-S119 VanDerWaalsContact O-N 3.15Å; K115-S119 PolarHBondContact O-OG 3.47Å; V116-S119 PolarHBondContact O-OG 3.29Å; S119-T121 VanDerWaalsContact C-N 3.26Å; S119-T121 PolarHBondContact O-N 3.22Å; S119-K122 PolarHBondContact O-N 2.92Å
120R54.2Low56.4Low225 Ų225138.6 Ų138.685%0.84969%0.692SS**Hα-helixtrans-70.9-16.3179.1-164.6167.9160.7173.3-5.7114.2V116V116-R120 PolarHBondContact O-N 2.87Å
121T49.7Very low54.2Low120 Ų120140.1 Ų140.174%0.73671%0.71SS**THydrogen-bonded Turntrans-83.9-5.8177.5-24.90000114K117 S119K117-T121 PolarHBondContact O-OG1 2.95Å; K117-T121 VanDerWaalsContact O-OG1 3.1Å; S119-T121 VanDerWaalsContact C-N 3.26Å; S119-T121 PolarHBondContact O-N 3.22Å
122K49.9Very low51.9Low189 Ų189143 Ų14382%0.82272%0.723SS**SBendtrans-115.78.9-173.3-139.3-178.4-178.6-174.90115.7S119S119-K122 PolarHBondContact O-N 2.92Å
123Q41.8Very low49.9Very low176 Ų176147.1 Ų147.182%0.82275%0.745SS**  trans-13471.5176.7-76.5-179.7-27.800110.2Q125Q123-Q125 PolarHBondContact O-N 3.33Å
124E37Very low48.1Very low188 Ų188147.4 Ų147.488%0.87975%0.745SS**  trans-76.893.6149.8-75177.9144.500106.9
125Q37Very low46.6Very low182 Ų182145 Ų14585%0.8575%0.752SS**SBendtrans177.4106.3144.4-95.8161.924.700110.2Q123Q123-Q125 PolarHBondContact O-N 3.33Å
126E35.2Very low45.6Very low187 Ų187140.5 Ų140.587%0.87474%0.738SS**  trans69.8143.4152.3-64-16815500122
127P39.9Very low44.5Very low118 Ų118139 Ų13977%0.76673%0.734SS**  trans-106.3124.8-156.234.1-19.3000111.6
128V36.9Very low43.6Very low144 Ų144133.9 Ų133.987%0.87372%0.722SS**  trans-136.4115.7160.2-170.10000110.8
129V34.8Very low43.3Very low127 Ų127131.2 Ų131.277%0.7772%0.715SS**  trans-20.2120.5163.8-174.90000115.4
130S35.5Very low42.8Very low93 Ų93130.8 Ų130.865%0.6572%0.716SS**  169.7119.2124-75.50000110.1K132S130-K132 PolarHBondContact O-N 2.97Å
131P42Very low42.6Very low127 Ų127125.9 Ų125.983%0.82571%0.706SS**  trans-7996.8-174.231.1-30.7000110.4I133P131-I133 PolarHBondContact O-N 3.49Å
132K37.8Very low42.5Very low198 Ų198122 Ų12286%0.86169%0.687SS**  trans-82.3101.1162.8-67.8-175.3-179.5-178.50107.7S130S130-K132 PolarHBondContact O-N 2.97Å
133I40.7Very low42.5Very low148 Ų148118 Ų11876%0.75967%0.673SS**  trans-62.2126.6174-57.8173.9000107.4P131P131-I133 PolarHBondContact O-N 3.49Å
134P41.4Very low42.8Very low76 Ų76114 Ų11449%0.49466%0.661SS.*  trans-73.3133-176.426.8-30.3000110.7T136 A137P134-T136 PolarHBondContact O-N 3.46Å; P134-A137 PolarHBondContact O-N 3.45Å
135A49.5Very low43.2Very low92 Ų92112.8 Ų112.876%0.7666%0.661SS**THydrogen-bonded Turntrans-55.6-10.4-171.400000116.1
136T50.8Low43.5Very low64 Ų64108 Ų10839%0.39364%0.641SS.*Hα-helixtrans-87.5-21.3-172.968.90000114E112 P134 A138E112-T136 WeakPolarHBondContact OE1-CB 3.48Å; E112-T136 VanDerWaalsContact OE1-CG2 3.23Å; E112-T136 WeakPolarHBondContact OE1-CG2 3.38Å; E112-T136 PolarHBondContact OE1-OG1 2.92Å; E112-T136 WeakPolarHBondContact OE2-CB 3.46Å; E112-T136 PolarHBondContact OE2-OG1 3.33Å; P134-T136 PolarHBondContact O-N 3.46Å; T136-A138 VanDerWaalsContact C-N 3.27Å; T136-A138 PolarHBondContact O-N 2.96Å
137A44.1Very low44.3Very low54 Ų54104.4 Ų104.445%0.44663%0.634SS.*Hα-helixtrans-70.8-23.7174.800000112.8P134P134-A137 PolarHBondContact O-N 3.45Å
138A44.9Very low44.6Very low53 Ų53109.7 Ų109.744%0.43864%0.639SS.*Hα-helixtrans-68.4-37.7-179.900000112.3T136 A140 L141T136-A138 VanDerWaalsContact C-N 3.27Å; T136-A138 PolarHBondContact O-N 2.96Å; A138-A140 VanDerWaalsContact C-N 3.32Å; A138-A140 PolarHBondContact O-N 3.48Å; A138-L141 PolarHBondContact O-N 2.86Å
139L50Low45.2Very low117 Ų117109 Ų10961%0.61363%0.626SS**Hα-helixtrans-70.6-26.5-176.2-166.966.3000113.2L141L139-L141 VanDerWaalsContact C-N 3.34Å
140A46.7Very low45.9Very low68 Ų68108 Ų10856%0.56262%0.62SS**Hα-helixtrans-75.1-22179.800000113.3A138A138-A140 VanDerWaalsContact C-N 3.32Å; A138-A140 PolarHBondContact O-N 3.48Å
141L48.2Very low46.7Very low123 Ų123111 Ų11164%0.64463%0.628SS**Hα-helixtrans-86.5-16.3180-81156000113.2A138 L139 L143 M153A138-L141 PolarHBondContact O-N 2.86Å; L139-L141 VanDerWaalsContact C-N 3.34Å; L141-L143 VanDerWaalsContact C-N 3.34Å; L141-L143 PolarHBondContact O-N 3.21Å; L141-M153 HydrophobicContact CB-CE 4.29Å
142A48Very low47.1Very low39 Ų39112.2 Ų112.232%0.32263%0.627SS.*THydrogen-bonded Turntrans-74-12.7-17200000117M153A142-M153 HydrophobicContact CB-CE 3.62Å; A142-M153 HydrophobicContact CB-SD 4.22Å
143L49.7Very low47.9Very low103 Ų103106.8 Ų106.854%0.53961%0.606SS.*THydrogen-bonded Turntrans-131.424.6-163.2-61.5171.5000114.1L141 N145L141-L143 VanDerWaalsContact C-N 3.34Å; L141-L143 PolarHBondContact O-N 3.21Å; L143-N145 PolarHBondContact O-N 2.68Å
144T48.4Very low48.7Very low92 Ų92105 Ų10556%0.56460%0.604SS**  trans-76.7107.4163.950.30000108.7N146T144-N146 PolarHBondContact O-N 2.82Å
145N45.2Very low49.5Very low163 Ų163104 Ų10487%0.87260%0.596SS**  trans-63.746.2176.9-89-14.4000113.8L143 P147L143-N145 PolarHBondContact O-N 2.68Å; N145-P147 WeakPolarHBondContact O-CD 3.18Å
146N43.9Very low50Low83 Ų83102.2 Ų102.244%0.44457%0.574SS.*  trans-101.1102.9171.4-161.7-6000109T144 R148 E149T144-N146 PolarHBondContact O-N 2.82Å; N146-R148 PolarHBondContact O-N 3.29Å; N146-E149 PolarHBondContact O-N 2.98Å; N146-E149 VanDerWaalsContact O-N 3.11Å
147P51Low50.7Low111 Ų111105 Ų10572%0.72159%0.594SS**THydrogen-bonded Turntrans-62.5-9-172.621.7-32.9000114.7N145N145-P147 WeakPolarHBondContact O-CD 3.18Å
148R46.8Very low51.8Low228 Ų228109.7 Ų109.786%0.8661%0.611SS**THydrogen-bonded Turntrans-87-14.7175.8-78.5-169.2169.2-177.4-2.4115.4N146N146-R148 PolarHBondContact O-N 3.29Å
149E49.3Very low52.8Low130 Ų130111.8 Ų111.861%0.60761%0.611SS**SBendtrans-100-1.1179.7-74.8-178.2167.400113.7N146 L151 D152N146-E149 PolarHBondContact O-N 2.98Å; N146-E149 VanDerWaalsContact O-N 3.11Å; E149-L151 PolarHBondContact O-N 3.31Å; E149-D152 PolarHBondContact O-N 2.97Å
150V50.5Low54Low106 Ų106109.8 Ų109.864%0.64261%0.606SS**G310 helixtrans-66.2-19.6-179.4179.40000113
151L51.3Low55.7Low155 Ų155109.7 Ų109.781%0.81260%0.598SS**G310 helixtrans-81.6-16-176.2-65.2-179.2000114.8E149E149-L151 PolarHBondContact O-N 3.31Å
152D51.8Low57.4Low153 Ų153107.3 Ų107.382%0.81858%0.581SS**G310 helixtrans-12731.2-176.5-72.5-42.7000112.6E149E149-D152 PolarHBondContact O-N 2.97Å
153M53.9Low59.3Low85 Ų85105.6 Ų105.642%0.41957%0.567SS.*  trans-84.6127.4176.2-160.1178.9179.200111.1L141 A142 V155L141-M153 HydrophobicContact CB-CE 4.29Å; A142-M153 HydrophobicContact CB-CE 3.62Å; A142-M153 HydrophobicContact CB-SD 4.22Å; M153-V155 PolarHBondContact O-N 3.48Å
154P58.3Low61Low109 Ų109104.6 Ų104.671%0.70856%0.561SS**  trans-66.312217526.1-32.3000109.9D156P154-D156 PolarHBondContact O-N 3.27Å
155V56.8Low62.9Low55 Ų55102.3 Ų102.333%0.33355%0.548SS..  trans-42.5124.7176.6-173.60000111M153 P157 T161 V168M153-V155 PolarHBondContact O-N 3.48Å; V155-P157 WeakPolarHBondContact O-CD 3.33Å; V155-T161 HydrophobicContact CG1-CG2 3.93Å; V155-V168 HydrophobicContact CG1-CG1 4.26Å
156D60.2Low64.5Low55 Ų55101.2 Ų101.229%0.29454%0.538SS..  trans-60.3119.8177.7-172.8-25.6000109.6P154 N158 E159P154-D156 PolarHBondContact O-N 3.27Å; D156-N158 PolarHBondContact O-N 3.44Å; D156-N158 VanDerWaalsContact O-N 3.1Å; D156-N158 WeakPolarHBondContact OD1-CA 3.5Å; D156-N158 VanDerWaalsContact OD1-CB 3.3Å; D156-N158 WeakPolarHBondContact OD1-CB 3.49Å; D156-N158 PolarHBondContact OD1-N 2.93Å; D156-E159 HydrophobicContact CB-CB 4.17Å; D156-E159 PolarHBondContact O-N 3.37Å
157P65Low66.2Low124 Ų124100.6 Ų100.681%0.80553%0.532SS*.THydrogen-bonded Turntrans-66.3-10.9179.918.3-22.1000114V155V155-P157 WeakPolarHBondContact O-CD 3.33Å
158N67Low67.7Low151 Ų15196.8 Ų96.881%0.80751%0.507SS*.THydrogen-bonded Turntrans-100.4-6.2-178.9-133.462000113.2D156D156-N158 PolarHBondContact O-N 3.44Å; D156-N158 VanDerWaalsContact O-N 3.1Å; D156-N158 WeakPolarHBondContact OD1-CA 3.5Å; D156-N158 VanDerWaalsContact OD1-CB 3.3Å; D156-N158 WeakPolarHBondContact OD1-CB 3.49Å; D156-N158 PolarHBondContact OD1-N 2.93Å
159E67.5Low69.3Low97 Ų9789.5 Ų89.545%0.45349%0.491SS..SBendtrans-92.7123.7173.3-162.3164-163.700108.7D156 T161 V168D156-E159 HydrophobicContact CB-CB 4.17Å; D156-E159 PolarHBondContact O-N 3.37Å; E159-T161 PolarHBondContact O-N 2.96Å; E159-T161 VanDerWaalsContact O-N 3.12Å; E159-V168 HydrophobicContact CB-CG1 3.73Å; E159-V168 HydrophobicContact CG-CB 4.12Å; E159-V168 HydrophobicContact CG-CG1 3.57Å; E159-V168 WeakPolarHBondContact OE2-CG1 3.4Å
160P73.8Confident70.8Confident76 Ų7687.7 Ų87.749%0.49448%0.479SS..PPolyproline II helixtrans-59.6123.7-176.522.9-32000109.3Y162P160-Y162 HydrophobicContact CB-CE1 4.42Å; P160-Y162 HydrophobicContact CB-CE2 3.99Å; P160-Y162 WeakPolarHBondContact CB-OH 3.3Å; P160-Y162 HydrophobicContact CG-CE2 3.89Å; P160-Y162 WeakPolarHBondContact CG-OH 3.47Å; P160-Y162 WeakPolarHBondContact O-CD2 3.27Å; P160-Y162 WeakPolarHBondContact O-CE2 3.47Å
161T82.7Confident72.5Confident66 Ų6686.3 Ų86.341%0.40549%0.486SS..PPolyproline II helixtrans-86.913817952.80000109.7V155 E159 Q166V155-T161 HydrophobicContact CG1-CG2 3.93Å; E159-T161 PolarHBondContact O-N 2.96Å; E159-T161 VanDerWaalsContact O-N 3.12Å; T161-Q166 VanDerWaalsContact CB-C 3.49Å; T161-Q166 VanDerWaalsContact CB-O 3.31Å; T161-Q166 WeakPolarHBondContact CB-O 3.39Å; T161-Q166 WeakPolarHBondContact CG2-O 3.33Å
162Y84.2Confident74.3Confident73 Ų7384.8 Ų84.829%0.28648%0.475SS..BIsolated β-bridgetrans-125171.9-178.1-56-77.4000109.2P160 Q166 Q167 M173 W185P160-Y162 HydrophobicContact CB-CE1 4.42Å; P160-Y162 HydrophobicContact CB-CE2 3.99Å; P160-Y162 WeakPolarHBondContact CB-OH 3.3Å; P160-Y162 HydrophobicContact CG-CE2 3.89Å; P160-Y162 WeakPolarHBondContact CG-OH 3.47Å; P160-Y162 WeakPolarHBondContact O-CD2 3.27Å; P160-Y162 WeakPolarHBondContact O-CE2 3.47Å; Y162-Q166 WeakPolarHBondContact O-CA 3.28Å; Y162-Q166 PolarHBondContact O-N 2.94Å; Y162-Q167 PolarHBondContact N-O 2.69Å; Y162-Q167 PolarHBondContact O-N 3.48Å; Y162-Q167 VanDerWaalsContact O-N 3.16Å; Y162-Q167 VanDerWaalsContact O-O 3.05Å; Y162-M173 HydrophobicContact CG-CE 4.29Å; Y162-W185 HydrophobicContact CD1-CB 4Å; Y162-W185 HydrophobicContact CD1-CG 4.41Å; Y162-W185 HydrophobicContact CG-CB 4.29Å
163C88.4Confident76.1Confident2 Ų279.2 Ų79.21%0.01445%0.445CS..THydrogen-bonded Turntrans64.6171.8180-164.30000113.9C165 Q166 I183 W185 F186 H187 C190C163-C165 PolarHBondContact O-N 3.32Å; C163-Q166 PolarHBondContact O-N 3.44Å; C163-I183 VanDerWaalsContact N-CG2 3.3Å; C163-W185 WeakPolarHBondContact CA-O 3.49Å; C163-W185 PolarHBondContact N-O 3.11Å; C163-F186 HydrophobicContact CB-CD1 4.46Å; C163-H187 WeakPolarHBondContact CB-ND1 3.31Å; C163-H187 PolarHBondContact SG-N 3.04Å; C163-H187 VanDerWaalsContact SG-N 3.37Å; C163-H187 PolarHBondContact SG-ND1 3.26Å; C163-C190 WeakPolarHBondContact SG-CB 3.46Å; C163-C190 VanDerWaalsContact SG-SG 3.66Å
164I86Confident77.9Confident83 Ų8375.9 Ų75.943%0.42643%0.429SS..THydrogen-bonded Turntrans-64.7-21.3173.956.3176.8000113.1Q166 I183 F186 C190I164-Q166 VanDerWaalsContact C-N 3.27Å; I164-I183 HydrophobicContact CG2-CD1 4.25Å; I164-F186 HydrophobicContact CG2-CD1 4.19Å; I164-F186 HydrophobicContact CG2-CE1 3.77Å; I164-C190 HydrophobicContact CG1-CB 4.28Å
165C87.1Confident79.4Confident44 Ų4472.5 Ų72.530%0.29741%0.41SS..THydrogen-bonded Turntrans-80.8-7.4177.561.30000113C163 Q167 H187C163-C165 PolarHBondContact O-N 3.32Å; C165-Q167 HydrophobicContact CB-CG 3.97Å; C165-Q167 PolarHBondContact O-N 3.4Å; C165-H187 VanDerWaalsContact SG-CE1 3.56Å; C165-H187 PolarHBondContact SG-ND1 3Å; C165-H187 VanDerWaalsContact SG-ND1 3.35Å
166Q79.7Confident81Confident139 Ų13970.5 Ų70.565%0.6540%0.398SS*.THydrogen-bonded Turntrans49.942.6-174.8-59.2178.330.700111.7T161 Y162 C163 I164T161-Q166 VanDerWaalsContact CB-C 3.49Å; T161-Q166 VanDerWaalsContact CB-O 3.31Å; T161-Q166 WeakPolarHBondContact CB-O 3.39Å; T161-Q166 WeakPolarHBondContact CG2-O 3.33Å; Y162-Q166 WeakPolarHBondContact O-CA 3.28Å; Y162-Q166 PolarHBondContact O-N 2.94Å; C163-Q166 PolarHBondContact O-N 3.44Å; I164-Q166 VanDerWaalsContact C-N 3.27Å
167Q78.6Confident82.3Confident70 Ų7071.7 Ų71.733%0.32741%0.405SS..BIsolated β-bridgetrans-105.4161.6175.8-64.9-62.4-39.800109.9Y162 C165 Y170Y162-Q167 PolarHBondContact N-O 2.69Å; Y162-Q167 PolarHBondContact O-N 3.48Å; Y162-Q167 VanDerWaalsContact O-N 3.16Å; Y162-Q167 VanDerWaalsContact O-O 3.05Å; C165-Q167 HydrophobicContact CB-CG 3.97Å; C165-Q167 PolarHBondContact O-N 3.4Å; Q167-Y170 HydrophobicContact CB-CD1 4.46Å; Q167-Y170 HydrophobicContact CB-CE1 3.89Å
168V82.9Confident83.2Confident32 Ų3266.4 Ų66.419%0.19437%0.37CS..  trans-63.6167.9176.6-58.30000111.3V155 E159 Y170 H187V155-V168 HydrophobicContact CG1-CG1 4.26Å; E159-V168 HydrophobicContact CB-CG1 3.73Å; E159-V168 HydrophobicContact CG-CB 4.12Å; E159-V168 HydrophobicContact CG-CG1 3.57Å; E159-V168 WeakPolarHBondContact OE2-CG1 3.4Å; V168-Y170 VanDerWaalsContact O-CD1 3.23Å; V168-Y170 WeakPolarHBondContact O-CD1 3.35Å; V168-Y170 PolarHBondContact O-N 2.89Å; V168-H187 PolarHBondContact O-CE1 3.4Å; V168-H187 PolarHBondContact O-NE2 3.43Å
169S79.9Confident84Confident75 Ų7570.2 Ų70.252%0.52437%0.373SS..  trans-66.9121.1176.9-179.90000110.4M173S169-M173 VanDerWaalsContact CB-SD 3.6Å; S169-M173 PolarHBondContact OG-SD 3.3Å
170Y82Confident84.7Confident92 Ų9272.5 Ų72.536%0.36139%0.388SS..  trans-145.4149.6174.968.1-96.6000111.2Q167 V168 H187Q167-Y170 HydrophobicContact CB-CD1 4.46Å; Q167-Y170 HydrophobicContact CB-CE1 3.89Å; V168-Y170 VanDerWaalsContact O-CD1 3.23Å; V168-Y170 WeakPolarHBondContact O-CD1 3.35Å; V168-Y170 PolarHBondContact O-N 2.89Å; Y170-H187 AromaticContact CD1-CD2 3.7Å; Y170-H187 AromaticContact CD1-CE1 3.82Å; Y170-H187 AromaticContact CD1-NE2 3.26Å; Y170-H187 VanDerWaalsContact CD1-NE2 3.26Å; Y170-H187 WeakPolarHBondContact CD1-NE2 3.17Å; Y170-H187 AromaticContact CE1-CD2 3.64Å; Y170-H187 AromaticContact CE1-CE1 3.37Å; Y170-H187 WeakPolarHBondContact CE1-CE1 3.43Å; Y170-H187 AromaticContact CE1-CG 3.9Å; Y170-H187 AromaticContact CE1-ND1 3.79Å; Y170-H187 AromaticContact CE1-NE2 3.27Å; Y170-H187 VanDerWaalsContact CE1-NE2 3.27Å; Y170-H187 WeakPolarHBondContact CE1-NE2 3.34Å; Y170-H187 AromaticContact CG-CD2 3.95Å; Y170-H187 AromaticContact CG-NE2 3.92Å; Y170-H187 AromaticContact CZ-CD2 3.86Å; Y170-H187 AromaticContact CZ-CG 3.83Å; Y170-H187 AromaticContact CZ-ND1 3.98Å; Y170-H187 AromaticContact CZ-NE2 3.97Å; Y170-H187 PolarHBondContact O-CD2 2.93Å; Y170-H187 VanDerWaalsContact O-CD2 3.26Å
171G86.3Confident85.2Confident76 Ų7669.2 Ų69.278%0.78437%0.367SS*.SBendtrans59.2-147.9178.100000114.2
172E87.4Confident85.2Confident124 Ų12471 Ų7158%0.57939%0.389SS*.SBendtrans-83.7128.3176.3-62.9-167.5126.300111F188E172-F188 HydrophobicContact CB-CB 4.36Å; E172-F188 HydrophobicContact CB-CD1 4.02Å; E172-F188 HydrophobicContact CB-CD2 3.65Å; E172-F188 HydrophobicContact CB-CE1 4.12Å; E172-F188 HydrophobicContact CB-CE2 3.76Å; E172-F188 HydrophobicContact CB-CG 3.78Å; E172-F188 HydrophobicContact CB-CZ 4Å; E172-F188 HydrophobicContact CG-CE2 4.43Å; E172-F188 WeakPolarHBondContact O-CD1 3.41Å; E172-F188 PolarHBondContact O-N 3.44Å; E172-F188 WeakPolarHBondContact OE2-CD2 3.34Å; E172-F188 VanDerWaalsContact OE2-CE2 3.25Å; E172-F188 WeakPolarHBondContact OE2-CE2 3.48Å
173M90.8Very high85.2Confident36 Ų3669.6 Ų69.618%0.17739%0.385CS..EExtended strand (participates in β ladder)trans-122.3147.8178.8-63.1-171.979.500111.9Y162 S169 W185 F186Y162-M173 HydrophobicContact CG-CE 4.29Å; S169-M173 VanDerWaalsContact CB-SD 3.6Å; S169-M173 PolarHBondContact OG-SD 3.3Å; M173-W185 HydrophobicContact CB-CE3 4.13Å; M173-W185 HydrophobicContact CE-CB 3.73Å; M173-F186 CarbonylContact C-O 3.47Å; M173-F186 WeakPolarHBondContact CA-O 3.49Å
174V91.1Very high85.2Confident15 Ų1574.6 Ų74.69%0.09141%0.408CS..EExtended strand (participates in β ladder)trans-116.5138.8175.162.50000109.8W185 F186 F188 V191 L193 P197 W201V174-W185 CarbonylContact O-C 3.59Å; V174-W185 WeakPolarHBondContact O-CA 3.36Å; V174-F186 HydrophobicContact CG1-CB 4.1Å; V174-F186 PolarHBondContact N-O 2.92Å; V174-F186 PolarHBondContact O-N 2.91Å; V174-F188 HydrophobicContact CB-CD1 4.22Å; V174-F188 HydrophobicContact CB-CE1 3.8Å; V174-F188 HydrophobicContact CG1-CD1 4.39Å; V174-F188 HydrophobicContact CG1-CE1 4.44Å; V174-V191 HydrophobicContact CG1-CG2 4.14Å; V174-L193 HydrophobicContact CB-CD1 4.16Å; V174-L193 HydrophobicContact CG1-CD1 3.7Å; V174-L193 HydrophobicContact CG2-CD1 4.41Å; V174-P197 HydrophobicContact CG2-CG 3.94Å; V174-W201 HydrophobicContact CB-CE3 4.3Å; V174-W201 HydrophobicContact CB-CZ3 4.37Å; V174-W201 HydrophobicContact CG1-CD2 4.18Å; V174-W201 HydrophobicContact CG1-CE3 3.83Å; V174-W201 HydrophobicContact CG1-CH2 3.57Å; V174-W201 HydrophobicContact CG1-CZ2 3.95Å; V174-W201 HydrophobicContact CG1-CZ3 3.51Å; V174-W201 HydrophobicContact CG2-CB 4.41Å; V174-W201 HydrophobicContact CG2-CD2 3.79Å; V174-W201 HydrophobicContact CG2-CE3 3.51Å; V174-W201 HydrophobicContact CG2-CG 4.19Å; V174-W201 HydrophobicContact CG2-CZ3 4.05Å
175A89.9Confident85.5Confident37 Ų3775.8 Ų75.831%0.30641%0.408SS..EExtended strand (participates in β ladder)trans-92138.9170.400000110.3E184 W185A175-E184 CarbonylContact C-O 3.59Å; A175-E184 VanDerWaalsContact CA-O 3.26Å; A175-E184 WeakPolarHBondContact CA-O 3.49Å; A175-W185 HydrophobicContact CB-CD2 4.06Å; A175-W185 HydrophobicContact CB-CE3 3.92Å; A175-W185 HydrophobicContact CB-CH2 3.91Å; A175-W185 HydrophobicContact CB-CZ2 4.03Å; A175-W185 HydrophobicContact CB-CZ3 3.85Å
176C89.5Confident85.7Confident13 Ų1373.7 Ų73.79%0.08839%0.393CS..  trans-72.9130.6169.9-172.20000109.5N178 C181 E184 F186 W201 C203 C206C176-N178 PolarHBondContact O-N 2.94Å; C176-C181 HydrophobicContact CB-CB 4.07Å; C176-E184 PolarHBondContact N-O 2.96Å; C176-F186 HydrophobicContact CB-CE2 4.05Å; C176-W201 HydrophobicContact CB-CZ3 4.21Å; C176-C203 HydrophobicContact CB-CB 4.32Å; C176-C203 PolarHBondContact SG-N 3.44Å; C176-C203 VanDerWaalsContact SG-N 3.35Å; C176-C206 VanDerWaalsContact SG-SG 3.62Å
177D89.2Confident86.3Confident81 Ų8167.1 Ų67.143%0.43336%0.363SS..SBendtrans-73.9-8.7177.8-75.4-64.6000113.7R179 Q200 W201 Y202D177-R179 PolarHBondContact O-N 2.91Å; D177-Q200 HydrophobicContact CB-CB 4.44Å; D177-Q200 HydrophobicContact CB-CG 4.49Å; D177-Q200 WeakPolarHBondContact OD2-CA 3.02Å; D177-W201 PolarHBondContact N-O 3.27Å; D177-W201 PolarHBondContact OD2-N 2.96Å; D177-Y202 HydrophobicContact CB-CE1 4.05Å
178N83.4Confident86.8Confident12 Ų1264.5 Ų64.56%0.06435%0.35CS..  trans-72.9112.6170.1179.818.9000109.9C176 D180 C181 Y202 C206 F211C176-N178 PolarHBondContact O-N 2.94Å; N178-D180 PolarHBondContact O-N 3.47Å; N178-D180 PolarHBondContact OD1-N 3.47Å; N178-D180 VanDerWaalsContact OD1-N 3.09Å; N178-C181 HydrophobicContact CB-CB 4.31Å; N178-C181 WeakPolarHBondContact O-CB 3.49Å; N178-C181 PolarHBondContact O-N 3.03Å; N178-Y202 HydrophobicContact CB-CD1 3.99Å; N178-Y202 HydrophobicContact CB-CE1 4.16Å; N178-C206 HydrophobicContact CB-CB 4.34Å; N178-C206 PolarHBondContact ND2-SG 2.81Å; N178-F211 HydrophobicContact CB-CE1 4.5Å; N178-F211 HydrophobicContact CB-CZ 4.34Å; N178-F211 WeakPolarHBondContact ND2-CE2 3.25Å
179R83.6Confident86.8Confident232 Ų23270.7 Ų70.788%0.87538%0.377SS*.THydrogen-bonded Turntrans-63.3-21.1178.7-63.5-172.1179.3-167.4-0.7113.9D177 C181D177-R179 PolarHBondContact O-N 2.91Å; R179-C181 VanDerWaalsContact C-N 3.34Å
180D82.7Confident87.2Confident144 Ų14469 Ų6977%0.7737%0.365SS*.THydrogen-bonded Turntrans-95.413.9177.6-59.6-39.4000112.1N178 A182N178-D180 PolarHBondContact O-N 3.47Å; N178-D180 PolarHBondContact OD1-N 3.47Å; N178-D180 VanDerWaalsContact OD1-N 3.09Å; D180-A182 PolarHBondContact O-N 3.13Å
181C83.9Confident87.5Confident8 Ų866.1 Ų66.15%0.05436%0.357CS..  trans-73.5120.2177.5-170.40000110.8C176 N178 R179 I183 E184C176-C181 HydrophobicContact CB-CB 4.07Å; N178-C181 HydrophobicContact CB-CB 4.31Å; N178-C181 WeakPolarHBondContact O-CB 3.49Å; N178-C181 PolarHBondContact O-N 3.03Å; R179-C181 VanDerWaalsContact C-N 3.34Å; C181-I183 VanDerWaalsContact C-N 3.26Å; C181-I183 PolarHBondContact O-N 2.84Å; C181-E184 VanDerWaalsContact O-CG 3.22Å; C181-E184 WeakPolarHBondContact O-CG 3.35Å
182A81.9Confident87.5Confident104 Ų10465.5 Ų65.586%0.8635%0.35SS*.SBendtrans-65.4-23.8-178.200000115D180D180-A182 PolarHBondContact O-N 3.13Å
183I84.2Confident87.4Confident43 Ų4361 Ų6122%0.22133%0.331CS..SBendtrans-99.9-32.2-176.4-61174.5000111.3C163 I164 C181 W185 F186C163-I183 VanDerWaalsContact N-CG2 3.3Å; I164-I183 HydrophobicContact CG2-CD1 4.25Å; C181-I183 VanDerWaalsContact C-N 3.26Å; C181-I183 PolarHBondContact O-N 2.84Å; I183-W185 WeakPolarHBondContact CG2-O 3.39Å; I183-W185 PolarHBondContact O-N 3.38Å; I183-F186 HydrophobicContact CB-CE1 4.15Å; I183-F186 HydrophobicContact CB-CE2 4.27Å; I183-F186 HydrophobicContact CB-CZ 3.65Å; I183-F186 HydrophobicContact CD1-CE1 4.06Å; I183-F186 HydrophobicContact CD1-CZ 4.2Å; I183-F186 HydrophobicContact CG1-CZ 4.48Å; I183-F186 HydrophobicContact CG2-CD1 4.38Å; I183-F186 HydrophobicContact CG2-CE1 3.79Å; I183-F186 HydrophobicContact CG2-CE2 4.17Å; I183-F186 HydrophobicContact CG2-CZ 3.67Å
184E88.8Confident87.1Confident106 Ų10665.9 Ų65.950%0.49536%0.362SS..  trans60.7-53-177.2-55.6-176.1168.300115.3A175 C176 C181A175-E184 CarbonylContact C-O 3.59Å; A175-E184 VanDerWaalsContact CA-O 3.26Å; A175-E184 WeakPolarHBondContact CA-O 3.49Å; C176-E184 PolarHBondContact N-O 2.96Å; C181-E184 VanDerWaalsContact O-CG 3.22Å; C181-E184 WeakPolarHBondContact O-CG 3.35Å
185W92.1Very high86.9Confident108 Ų10869 Ų6941%0.40939%0.385SS..EExtended strand (participates in β ladder)trans-112.4138.5-170.5-69.193.3000113.1Y162 C163 M173 V174 A175 I183Y162-W185 HydrophobicContact CD1-CB 4Å; Y162-W185 HydrophobicContact CD1-CG 4.41Å; Y162-W185 HydrophobicContact CG-CB 4.29Å; C163-W185 WeakPolarHBondContact CA-O 3.49Å; C163-W185 PolarHBondContact N-O 3.11Å; M173-W185 HydrophobicContact CB-CE3 4.13Å; M173-W185 HydrophobicContact CE-CB 3.73Å; V174-W185 CarbonylContact O-C 3.59Å; V174-W185 WeakPolarHBondContact O-CA 3.36Å; A175-W185 HydrophobicContact CB-CD2 4.06Å; A175-W185 HydrophobicContact CB-CE3 3.92Å; A175-W185 HydrophobicContact CB-CH2 3.91Å; A175-W185 HydrophobicContact CB-CZ2 4.03Å; A175-W185 HydrophobicContact CB-CZ3 3.85Å; I183-W185 WeakPolarHBondContact CG2-O 3.39Å; I183-W185 PolarHBondContact O-N 3.38Å
186F91.4Very high86.7Confident0 Ų075.5 Ų75.50%041%0.406CS..EExtended strand (participates in β ladder)trans-137.2140.3-177.3-59.8-95.7000111.4C163 I164 M173 V174 C176 I183 V191 W201 C203C163-F186 HydrophobicContact CB-CD1 4.46Å; I164-F186 HydrophobicContact CG2-CD1 4.19Å; I164-F186 HydrophobicContact CG2-CE1 3.77Å; M173-F186 CarbonylContact C-O 3.47Å; M173-F186 WeakPolarHBondContact CA-O 3.49Å; V174-F186 HydrophobicContact CG1-CB 4.1Å; V174-F186 PolarHBondContact N-O 2.92Å; V174-F186 PolarHBondContact O-N 2.91Å; C176-F186 HydrophobicContact CB-CE2 4.05Å; I183-F186 HydrophobicContact CB-CE1 4.15Å; I183-F186 HydrophobicContact CB-CE2 4.27Å; I183-F186 HydrophobicContact CB-CZ 3.65Å; I183-F186 HydrophobicContact CD1-CE1 4.06Å; I183-F186 HydrophobicContact CD1-CZ 4.2Å; I183-F186 HydrophobicContact CG1-CZ 4.48Å; I183-F186 HydrophobicContact CG2-CD1 4.38Å; I183-F186 HydrophobicContact CG2-CE1 3.79Å; I183-F186 HydrophobicContact CG2-CE2 4.17Å; I183-F186 HydrophobicContact CG2-CZ 3.67Å; F186-V191 HydrophobicContact CB-CG1 3.78Å; F186-V191 HydrophobicContact CD1-CG1 4.06Å; F186-V191 HydrophobicContact CG-CG1 4.13Å; F186-W201 HydrophobicContact CB-CH2 4.11Å; F186-W201 AromaticContact CD2-CH2 3.85Å; F186-W201 HydrophobicContact CD2-CH2 3.85Å; F186-W201 AromaticContact CD2-CZ3 3.81Å; F186-W201 HydrophobicContact CD2-CZ3 3.81Å; F186-W201 HydrophobicContact CE2-CZ3 4.44Å; F186-W201 HydrophobicContact CG-CH2 4.01Å; F186-W201 HydrophobicContact CG-CZ3 4.41Å; F186-C203 HydrophobicContact CD1-CB 4.37Å; F186-C203 HydrophobicContact CD2-CB 3.91Å; F186-C203 HydrophobicContact CE1-CB 3.88Å; F186-C203 HydrophobicContact CE2-CB 3.37Å; F186-C203 HydrophobicContact CG-CB 4.4Å; F186-C203 HydrophobicContact CZ-CB 3.34Å; F186-C203 VanDerWaalsContact CZ-SG 3.54Å
187H92.2Very high86.2Confident2 Ų276 Ų761%0.00941%0.409CS..EExtended strand (participates in β ladder)trans-72.8140.8171.8-48.8102.6000110.7C163 C165 V168 Y170 E189 C190 V191C163-H187 WeakPolarHBondContact CB-ND1 3.31Å; C163-H187 PolarHBondContact SG-N 3.04Å; C163-H187 VanDerWaalsContact SG-N 3.37Å; C163-H187 PolarHBondContact SG-ND1 3.26Å; C165-H187 VanDerWaalsContact SG-CE1 3.56Å; C165-H187 PolarHBondContact SG-ND1 3Å; C165-H187 VanDerWaalsContact SG-ND1 3.35Å; V168-H187 PolarHBondContact O-CE1 3.4Å; V168-H187 PolarHBondContact O-NE2 3.43Å; Y170-H187 AromaticContact CD1-CD2 3.7Å; Y170-H187 AromaticContact CD1-CE1 3.82Å; Y170-H187 AromaticContact CD1-NE2 3.26Å; Y170-H187 VanDerWaalsContact CD1-NE2 3.26Å; Y170-H187 WeakPolarHBondContact CD1-NE2 3.17Å; Y170-H187 AromaticContact CE1-CD2 3.64Å; Y170-H187 AromaticContact CE1-CE1 3.37Å; Y170-H187 WeakPolarHBondContact CE1-CE1 3.43Å; Y170-H187 AromaticContact CE1-CG 3.9Å; Y170-H187 AromaticContact CE1-ND1 3.79Å; Y170-H187 AromaticContact CE1-NE2 3.27Å; Y170-H187 VanDerWaalsContact CE1-NE2 3.27Å; Y170-H187 WeakPolarHBondContact CE1-NE2 3.34Å; Y170-H187 AromaticContact CG-CD2 3.95Å; Y170-H187 AromaticContact CG-NE2 3.92Å; Y170-H187 AromaticContact CZ-CD2 3.86Å; Y170-H187 AromaticContact CZ-CG 3.83Å; Y170-H187 AromaticContact CZ-ND1 3.98Å; Y170-H187 AromaticContact CZ-NE2 3.97Å; Y170-H187 PolarHBondContact O-CD2 2.93Å; Y170-H187 VanDerWaalsContact O-CD2 3.26Å; H187-E189 VanDerWaalsContact C-N 3.3Å; H187-E189 PolarHBondContact O-N 3.33Å; H187-C190 HydrophobicContact CB-CB 4.26Å; H187-C190 PolarHBondContact O-N 3.2Å; H187-C190 VanDerWaalsContact O-N 3.07Å; H187-V191 WeakPolarHBondContact O-CG2 3.47Å; H187-V191 PolarHBondContact O-N 3.45Å
188F89.3Confident85.8Confident15 Ų1582.7 Ų82.77%0.06643%0.428CS..Hα-helixtrans-53.7-46.1179.1-88.731.5000112.5E172 V174 C190 V191 G192 L193 S195 K196E172-F188 HydrophobicContact CB-CB 4.36Å; E172-F188 HydrophobicContact CB-CD1 4.02Å; E172-F188 HydrophobicContact CB-CD2 3.65Å; E172-F188 HydrophobicContact CB-CE1 4.12Å; E172-F188 HydrophobicContact CB-CE2 3.76Å; E172-F188 HydrophobicContact CB-CG 3.78Å; E172-F188 HydrophobicContact CB-CZ 4Å; E172-F188 HydrophobicContact CG-CE2 4.43Å; E172-F188 WeakPolarHBondContact O-CD1 3.41Å; E172-F188 PolarHBondContact O-N 3.44Å; E172-F188 WeakPolarHBondContact OE2-CD2 3.34Å; E172-F188 VanDerWaalsContact OE2-CE2 3.25Å; E172-F188 WeakPolarHBondContact OE2-CE2 3.48Å; V174-F188 HydrophobicContact CB-CD1 4.22Å; V174-F188 HydrophobicContact CB-CE1 3.8Å; V174-F188 HydrophobicContact CG1-CD1 4.39Å; V174-F188 HydrophobicContact CG1-CE1 4.44Å; F188-C190 VanDerWaalsContact C-N 3.31Å; F188-C190 PolarHBondContact O-N 3.01Å; F188-V191 CarbonylContact O-C 3.58Å; F188-V191 PolarHBondContact O-N 3.21Å; F188-G192 PolarHBondContact O-N 2.94Å; F188-L193 CarbonylContact C-O 3.59Å; F188-L193 HydrophobicContact CB-CB 4.2Å; F188-L193 WeakPolarHBondContact CB-O 3.49Å; F188-L193 HydrophobicContact CD1-CB 4.31Å; F188-L193 HydrophobicContact CD1-CD1 4.36Å; F188-L193 HydrophobicContact CD2-CB 4.18Å; F188-L193 HydrophobicContact CG-CB 3.94Å; F188-L193 PolarHBondContact O-N 2.93Å; F188-S195 VanDerWaalsContact CE2-C 3.45Å; F188-K196 HydrophobicContact CZ-CB 4.21Å
189E84.2Confident85.9Confident161 Ų16185 Ų8575%0.75245%0.454SS*.Hα-helixtrans-61.2-37.4178.5-63.5179.1172.700112.7H187 V191H187-E189 VanDerWaalsContact C-N 3.3Å; H187-E189 PolarHBondContact O-N 3.33Å; E189-V191 VanDerWaalsContact C-N 3.35Å; E189-V191 PolarHBondContact O-N 3.43Å
190C87.1Confident85.9Confident41 Ų4179.7 Ų79.728%0.27744%0.44SS..Hα-helixtrans-72.2-27.9-179.3-65.30000113.2C163 I164 H187 F188C163-C190 WeakPolarHBondContact SG-CB 3.46Å; C163-C190 VanDerWaalsContact SG-SG 3.66Å; I164-C190 HydrophobicContact CG1-CB 4.28Å; H187-C190 HydrophobicContact CB-CB 4.26Å; H187-C190 PolarHBondContact O-N 3.2Å; H187-C190 VanDerWaalsContact O-N 3.07Å; F188-C190 VanDerWaalsContact C-N 3.31Å; F188-C190 PolarHBondContact O-N 3.01Å
191V88.1Confident86.2Confident30 Ų3074.5 Ų74.518%0.18241%0.409CS..Hα-helixtrans-104.74178-62.70000113.4V174 F186 H187 F188 E189 L193 W201V174-V191 HydrophobicContact CG1-CG2 4.14Å; F186-V191 HydrophobicContact CB-CG1 3.78Å; F186-V191 HydrophobicContact CD1-CG1 4.06Å; F186-V191 HydrophobicContact CG-CG1 4.13Å; H187-V191 WeakPolarHBondContact O-CG2 3.47Å; H187-V191 PolarHBondContact O-N 3.45Å; F188-V191 CarbonylContact O-C 3.58Å; F188-V191 PolarHBondContact O-N 3.21Å; E189-V191 VanDerWaalsContact C-N 3.35Å; E189-V191 PolarHBondContact O-N 3.43Å; V191-L193 VanDerWaalsContact C-N 3.35Å; V191-L193 HydrophobicContact CG2-CB 4.26Å; V191-L193 HydrophobicContact CG2-CD1 3.64Å; V191-L193 HydrophobicContact CG2-CG 3.78Å; V191-W201 HydrophobicContact CB-CH2 4.38Å; V191-W201 HydrophobicContact CB-CZ2 3.9Å; V191-W201 HydrophobicContact CG1-CH2 3.99Å; V191-W201 HydrophobicContact CG1-CZ2 3.98Å; V191-W201 HydrophobicContact CG2-CH2 4.25Å; V191-W201 HydrophobicContact CG2-CZ2 3.81Å
192G86.3Confident86.4Confident63 Ų6375.7 Ų75.765%0.64941%0.413SS*.THydrogen-bonded Turntrans71.923.6178.200000114.6F188F188-G192 PolarHBondContact O-N 2.94Å
193L86.5Confident86.8Confident31 Ų3170.8 Ų70.816%0.16237%0.372CS..  trans-86.1132.8173.9-69.8171.7000109.9V174 F188 V191 P197 W201V174-L193 HydrophobicContact CB-CD1 4.16Å; V174-L193 HydrophobicContact CG1-CD1 3.7Å; V174-L193 HydrophobicContact CG2-CD1 4.41Å; F188-L193 CarbonylContact C-O 3.59Å; F188-L193 HydrophobicContact CB-CB 4.2Å; F188-L193 WeakPolarHBondContact CB-O 3.49Å; F188-L193 HydrophobicContact CD1-CB 4.31Å; F188-L193 HydrophobicContact CD1-CD1 4.36Å; F188-L193 HydrophobicContact CD2-CB 4.18Å; F188-L193 HydrophobicContact CG-CB 3.94Å; F188-L193 PolarHBondContact O-N 2.93Å; V191-L193 VanDerWaalsContact C-N 3.35Å; V191-L193 HydrophobicContact CG2-CB 4.26Å; V191-L193 HydrophobicContact CG2-CD1 3.64Å; V191-L193 HydrophobicContact CG2-CG 3.78Å; L193-P197 HydrophobicContact CD1-CG 4.1Å; L193-P197 HydrophobicContact CD2-CB 4.47Å; L193-W201 HydrophobicContact CD1-CZ2 4.27Å
194V84.3Confident86.8Confident137 Ų13772 Ų7283%0.8338%0.383SS*.SBendtrans-97-23.9173.7-179.40000111.2
195S85.8Confident86.7Confident82 Ų8271.3 Ų71.357%0.57338%0.38SS*.SBendtrans-149.9162.3-179.964.40000109.9F188F188-S195 VanDerWaalsContact CE2-C 3.45Å
196K85.5Confident86.4Confident172 Ų17266.3 Ų66.375%0.74836%0.361SS*.  trans-54.8122.4-179.6-176.7175.8180172.80111.2F188F188-K196 HydrophobicContact CZ-CB 4.21Å
197P80.5Confident86.1Confident24 Ų2468.2 Ų68.216%0.15637%0.371CS..  trans-65.7148.5-179.324.6-31.2000111.1V174 L193 W201V174-P197 HydrophobicContact CG2-CG 3.94Å; L193-P197 HydrophobicContact CD1-CG 4.1Å; L193-P197 HydrophobicContact CD2-CB 4.47Å; P197-W201 HydrophobicContact CB-CB 4.12Å; P197-W201 HydrophobicContact CB-CG 4.24Å; P197-W201 HydrophobicContact CG-CB 3.7Å; P197-W201 HydrophobicContact CG-CG 3.77Å
198R80.1Confident85.7Confident221 Ų22172.4 Ų72.483%0.83441%0.406SS*.SBendtrans-93.5111.9-178.7-61.7-169.2-140.1-1496111.7K214R198-K214 PolarHBondContact O-NZ 3.05Å; R198-K214 VanDerWaalsContact O-NZ 3.08Å
199G84.5Confident85.2Confident60 Ų6078.1 Ų78.162%0.61943%0.433SS*.SBendtrans92.1-146.9179.900000111.2
200Q84Confident85Confident122 Ų12273.7 Ų73.757%0.5743%0.43SS*.  trans-75.5132.6-177.4-68.3178.6-1.200111.9D177 Y202D177-Q200 HydrophobicContact CB-CB 4.44Å; D177-Q200 HydrophobicContact CB-CG 4.49Å; D177-Q200 WeakPolarHBondContact OD2-CA 3.02Å; Q200-Y202 HydrophobicContact CB-CE2 4.06Å; Q200-Y202 PolarHBondContact OE1-OH 3.01Å
201W89.5Confident84.4Confident34 Ų3475.2 Ų75.213%0.12943%0.432CS..  trans-125136.7176.6-179.588.5000110.7V174 C176 D177 F186 V191 L193 P197 C203V174-W201 HydrophobicContact CB-CE3 4.3Å; V174-W201 HydrophobicContact CB-CZ3 4.37Å; V174-W201 HydrophobicContact CG1-CD2 4.18Å; V174-W201 HydrophobicContact CG1-CE3 3.83Å; V174-W201 HydrophobicContact CG1-CH2 3.57Å; V174-W201 HydrophobicContact CG1-CZ2 3.95Å; V174-W201 HydrophobicContact CG1-CZ3 3.51Å; V174-W201 HydrophobicContact CG2-CB 4.41Å; V174-W201 HydrophobicContact CG2-CD2 3.79Å; V174-W201 HydrophobicContact CG2-CE3 3.51Å; V174-W201 HydrophobicContact CG2-CG 4.19Å; V174-W201 HydrophobicContact CG2-CZ3 4.05Å; C176-W201 HydrophobicContact CB-CZ3 4.21Å; D177-W201 PolarHBondContact N-O 3.27Å; D177-W201 PolarHBondContact OD2-N 2.96Å; F186-W201 HydrophobicContact CB-CH2 4.11Å; F186-W201 AromaticContact CD2-CH2 3.85Å; F186-W201 HydrophobicContact CD2-CH2 3.85Å; F186-W201 AromaticContact CD2-CZ3 3.81Å; F186-W201 HydrophobicContact CD2-CZ3 3.81Å; F186-W201 HydrophobicContact CE2-CZ3 4.44Å; F186-W201 HydrophobicContact CG-CH2 4.01Å; F186-W201 HydrophobicContact CG-CZ3 4.41Å; V191-W201 HydrophobicContact CB-CH2 4.38Å; V191-W201 HydrophobicContact CB-CZ2 3.9Å; V191-W201 HydrophobicContact CG1-CH2 3.99Å; V191-W201 HydrophobicContact CG1-CZ2 3.98Å; V191-W201 HydrophobicContact CG2-CH2 4.25Å; V191-W201 HydrophobicContact CG2-CZ2 3.81Å; L193-W201 HydrophobicContact CD1-CZ2 4.27Å; P197-W201 HydrophobicContact CB-CB 4.12Å; P197-W201 HydrophobicContact CB-CG 4.24Å; P197-W201 HydrophobicContact CG-CB 3.7Å; P197-W201 HydrophobicContact CG-CG 3.77Å; W201-C203 HydrophobicContact CH2-CB 3.66Å; W201-C203 HydrophobicContact CZ2-CB 4.48Å; W201-C203 HydrophobicContact CZ3-CB 3.92Å
202Y88.9Confident83.7Confident34 Ų3478.1 Ų78.113%0.13345%0.452CS..  trans-121.4140179.4-62.5-82.5000109.1D177 N178 Q200 I207 F211D177-Y202 HydrophobicContact CB-CE1 4.05Å; N178-Y202 HydrophobicContact CB-CD1 3.99Å; N178-Y202 HydrophobicContact CB-CE1 4.16Å; Q200-Y202 HydrophobicContact CB-CE2 4.06Å; Q200-Y202 PolarHBondContact OE1-OH 3.01Å; Y202-I207 WeakPolarHBondContact O-CD1 3.36Å; Y202-F211 HydrophobicContact CD1-CB 4.06Å; Y202-F211 HydrophobicContact CD1-CD1 4.14Å; Y202-F211 HydrophobicContact CD1-CG 4.2Å; Y202-F211 HydrophobicContact CE1-CB 4.47Å; Y202-F211 AromaticContact CE1-CD1 3.85Å; Y202-F211 HydrophobicContact CE1-CD1 3.85Å; Y202-F211 HydrophobicContact CE1-CE1 4.48Å; Y202-F211 HydrophobicContact CE1-CG 4.37Å; Y202-F211 HydrophobicContact CG-CB 4.11Å
203C88.8Confident82.6Confident0 Ų080.7 Ų80.70%045%0.45CS..  trans-71.6159.1178.474.30000111.7C176 F186 W201 Q205 C206 I207C176-C203 HydrophobicContact CB-CB 4.32Å; C176-C203 PolarHBondContact SG-N 3.44Å; C176-C203 VanDerWaalsContact SG-N 3.35Å; F186-C203 HydrophobicContact CD1-CB 4.37Å; F186-C203 HydrophobicContact CD2-CB 3.91Å; F186-C203 HydrophobicContact CE1-CB 3.88Å; F186-C203 HydrophobicContact CE2-CB 3.37Å; F186-C203 HydrophobicContact CG-CB 4.4Å; F186-C203 HydrophobicContact CZ-CB 3.34Å; F186-C203 VanDerWaalsContact CZ-SG 3.54Å; W201-C203 HydrophobicContact CH2-CB 3.66Å; W201-C203 HydrophobicContact CZ2-CB 4.48Å; W201-C203 HydrophobicContact CZ3-CB 3.92Å; C203-Q205 PolarHBondContact O-N 2.97Å; C203-C206 PolarHBondContact O-N 3.11Å; C203-C206 PolarHBondContact SG-N 3.36Å; C203-C206 PolarHBondContact SG-SG 2.7Å; C203-I207 WeakPolarHBondContact O-CD1 3.44Å; C203-I207 WeakPolarHBondContact O-CG1 3.37Å; C203-I207 PolarHBondContact O-N 3.48Å
204P85.6Confident81.1Confident69 Ų6985.7 Ų85.745%0.44847%0.47SS..Hα-helixtrans-54.8-31-178.6-27.935.3000114.3A208P204-A208 WeakPolarHBondContact O-CB 3.34Å; P204-A208 PolarHBondContact O-N 3.04Å
205Q85.5Confident79.6Confident92 Ų9288.2 Ų88.243%0.4347%0.47SS..Hα-helixtrans-70.4-41.8176.1-65.7-178.5-6.500112.2C203 A208 Q209C203-Q205 PolarHBondContact O-N 2.97Å; Q205-A208 PolarHBondContact O-N 3.36Å; Q205-Q209 VanDerWaalsContact O-CG 3.3Å; Q205-Q209 WeakPolarHBondContact O-CG 3.42Å; Q205-Q209 PolarHBondContact O-N 3.48Å
206C86.9Confident78.1Confident2 Ų290 Ų901%0.01447%0.474CS..Hα-helixtrans-69.6-39.7175.7-67.20000110.7C176 N178 C203 A208 Q209 G210 F211C176-C206 VanDerWaalsContact SG-SG 3.62Å; N178-C206 HydrophobicContact CB-CB 4.34Å; N178-C206 PolarHBondContact ND2-SG 2.81Å; C203-C206 PolarHBondContact O-N 3.11Å; C203-C206 PolarHBondContact SG-N 3.36Å; C203-C206 PolarHBondContact SG-SG 2.7Å; C206-A208 VanDerWaalsContact C-N 3.29Å; C206-A208 PolarHBondContact O-N 3.49Å; C206-Q209 CarbonylContact O-C 3.57Å; C206-Q209 WeakPolarHBondContact O-CA 3.13Å; C206-Q209 WeakPolarHBondContact O-CB 3.36Å; C206-Q209 PolarHBondContact O-N 3.29Å; C206-G210 PolarHBondContact O-N 2.97Å; C206-F211 HydrophobicContact CB-CD2 3.94Å; C206-F211 HydrophobicContact CB-CG 4.43Å; C206-F211 VanDerWaalsContact O-CD2 3.26Å; C206-F211 WeakPolarHBondContact O-CD2 3.3Å; C206-F211 PolarHBondContact O-N 2.98Å
207I85.3Confident75.9Confident41 Ų4193.2 Ų93.221%0.2150%0.499CS..Hα-helixtrans-55.8-46173.1-72.9156.1000111Y202 C203 Q209 G210 L213Y202-I207 WeakPolarHBondContact O-CD1 3.36Å; C203-I207 WeakPolarHBondContact O-CD1 3.44Å; C203-I207 WeakPolarHBondContact O-CG1 3.37Å; C203-I207 PolarHBondContact O-N 3.48Å; I207-Q209 PolarHBondContact O-N 3.2Å; I207-G210 PolarHBondContact O-N 3.45Å; I207-L213 HydrophobicContact CB-CD2 4.36Å; I207-L213 HydrophobicContact CB-CG 4.26Å; I207-L213 HydrophobicContact CD1-CD2 3.29Å; I207-L213 HydrophobicContact CD1-CG 4.06Å; I207-L213 HydrophobicContact CG1-CD2 3.72Å; I207-L213 HydrophobicContact CG1-CG 3.9Å; I207-L213 HydrophobicContact CG2-CD1 3.51Å; I207-L213 HydrophobicContact CG2-CD2 3.78Å; I207-L213 HydrophobicContact CG2-CG 3.39Å
208A82.3Confident75.6Confident89 Ų8996.7 Ų96.774%0.73652%0.516SS*.Hα-helixtrans-64.4-24176.800000113.4P204 Q205 C206 G210P204-A208 WeakPolarHBondContact O-CB 3.34Å; P204-A208 PolarHBondContact O-N 3.04Å; Q205-A208 PolarHBondContact O-N 3.36Å; C206-A208 VanDerWaalsContact C-N 3.29Å; C206-A208 PolarHBondContact O-N 3.49Å; A208-G210 VanDerWaalsContact C-N 3.26Å; A208-G210 PolarHBondContact O-N 3.28Å
209Q80.5Confident75.4Confident136 Ų13690.2 Ų90.264%0.63650%0.499SS*.THydrogen-bonded Turntrans-81.50.7174.3-68.6170.610.300113.5Q205 C206 I207 F211Q205-Q209 VanDerWaalsContact O-CG 3.3Å; Q205-Q209 WeakPolarHBondContact O-CG 3.42Å; Q205-Q209 PolarHBondContact O-N 3.48Å; C206-Q209 CarbonylContact O-C 3.57Å; C206-Q209 WeakPolarHBondContact O-CA 3.13Å; C206-Q209 WeakPolarHBondContact O-CB 3.36Å; C206-Q209 PolarHBondContact O-N 3.29Å; I207-Q209 PolarHBondContact O-N 3.2Å; Q209-F211 HydrophobicContact CB-CD2 4.44Å
210G79.2Confident74.9Confident68 Ų6891.8 Ų91.870%0.70149%0.493SS*.THydrogen-bonded Turntrans102.710.4174.900000115.1C206 I207 A208C206-G210 PolarHBondContact O-N 2.97Å; I207-G210 PolarHBondContact O-N 3.45Å; A208-G210 VanDerWaalsContact C-N 3.26Å; A208-G210 PolarHBondContact O-N 3.28Å
211F75.4Confident74.4Confident73 Ų7390.1 Ų90.132%0.3249%0.488SS..PPolyproline II helixtrans-74.2142.8171.1-71.8-88.3000111N178 Y202 C206 Q209 L213N178-F211 HydrophobicContact CB-CE1 4.5Å; N178-F211 HydrophobicContact CB-CZ 4.34Å; N178-F211 WeakPolarHBondContact ND2-CE2 3.25Å; Y202-F211 HydrophobicContact CD1-CB 4.06Å; Y202-F211 HydrophobicContact CD1-CD1 4.14Å; Y202-F211 HydrophobicContact CD1-CG 4.2Å; Y202-F211 HydrophobicContact CE1-CB 4.47Å; Y202-F211 AromaticContact CE1-CD1 3.85Å; Y202-F211 HydrophobicContact CE1-CD1 3.85Å; Y202-F211 HydrophobicContact CE1-CE1 4.48Å; Y202-F211 HydrophobicContact CE1-CG 4.37Å; Y202-F211 HydrophobicContact CG-CB 4.11Å; C206-F211 HydrophobicContact CB-CD2 3.94Å; C206-F211 HydrophobicContact CB-CG 4.43Å; C206-F211 VanDerWaalsContact O-CD2 3.26Å; C206-F211 WeakPolarHBondContact O-CD2 3.3Å; C206-F211 PolarHBondContact O-N 2.98Å; Q209-F211 HydrophobicContact CB-CD2 4.44Å; F211-L213 PolarHBondContact O-N 3.42Å
212P73Confident73.4Confident90 Ų9093.6 Ų93.658%0.58451%0.51SS*.PPolyproline II helixtrans-65.5125.1-173.624.5-32.4000111.8K214P212-K214 PolarHBondContact O-N 3Å
213L62.9Low72.4Confident118 Ų11897.5 Ų97.562%0.61854%0.536SS*.PPolyproline II helixtrans-70.2120.8163.2-85.8162.7000109.3I207 F211 K215I207-L213 HydrophobicContact CB-CD2 4.36Å; I207-L213 HydrophobicContact CB-CG 4.26Å; I207-L213 HydrophobicContact CD1-CD2 3.29Å; I207-L213 HydrophobicContact CD1-CG 4.06Å; I207-L213 HydrophobicContact CG1-CD2 3.72Å; I207-L213 HydrophobicContact CG1-CG 3.9Å; I207-L213 HydrophobicContact CG2-CD1 3.51Å; I207-L213 HydrophobicContact CG2-CD2 3.78Å; I207-L213 HydrophobicContact CG2-CG 3.39Å; F211-L213 PolarHBondContact O-N 3.42Å; L213-K215 PolarHBondContact O-N 3.26Å
214K55.7Low71.2Confident135 Ų135104.5 Ų104.559%0.58757%0.574SS**  trans-74.3115.9155.4-116.7-178.4172.8-176.70107.2R198 P212 D216R198-K214 PolarHBondContact O-NZ 3.05Å; R198-K214 VanDerWaalsContact O-NZ 3.08Å; P212-K214 PolarHBondContact O-N 3Å; K214-D216 PolarHBondContact O-N 3.07Å
215K53.1Low70.1Confident190 Ų190107.2 Ų107.283%0.82658%0.584SS**  trans-75.7114.3161.9-75.7-175.5176.9-178.90106.5L213L213-K215 PolarHBondContact O-N 3.26Å
216D54.2Low68.8Low121 Ų121108.5 Ų108.565%0.64760%0.596SS**  trans-71.7120.6163.7-65.6-51.6000107.2K214K214-D216 PolarHBondContact O-N 3.07Å
217D37.5Very low67.2Low239 Ų239118.2 Ų118.2100%1.27865%0.649SS**  trans-75.10167.2-85.4-42.8000110.6

Retrieved 217 of 217 residues in 192.1 ms (Link to these results)

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