A0A077ZD18_TRITR Loading...

BAR domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZD18, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 221 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
1M50.5Low66.7Low172 Ų17295.7 Ų95.785%0.84750%0.501SS*.  0124.20-155.6156.1122.600107.6I6M1-I6 HydrophobicContact CE-CD1 4.45Å; M1-I6 HydrophobicContact CE-CG1 3.69Å; M1-I6 HydrophobicContact CG-CG1 4.22Å
2K61Low67.4Low176 Ų17688.2 Ų88.277%0.76546%0.462SS*.  trans-70.9137.4-176.2-71-176177.3-177.50109.6G4 T5 I6K2-G4 PolarHBondContact O-N 2.79Å; K2-T5 WeakPolarHBondContact O-CB 3.41Å; K2-T5 PolarHBondContact O-N 3.08Å; K2-T5 PolarHBondContact O-OG1 3.07Å; K2-I6 PolarHBondContact O-N 3.19Å
3L62.7Low68Low139 Ų13992.5 Ų92.573%0.72847%0.469SS*.Hα-helixtrans-48.8-38.2-177.3-121.3105.7000112.9T5 I6 L7L3-T5 VanDerWaalsContact C-N 3.34Å; L3-T5 PolarHBondContact O-N 3.16Å; L3-I6 WeakPolarHBondContact O-CB 3.49Å; L3-I6 PolarHBondContact O-N 3.43Å; L3-L7 PolarHBondContact O-N 3.47Å; L3-L7 VanDerWaalsContact O-N 3.11Å
4G63.4Low68.3Low52 Ų5293 Ų9354%0.53647%0.472SS..Hα-helixtrans-59.4-38.7176.800000113.8K2 I6 H8K2-G4 PolarHBondContact O-N 2.79Å; G4-I6 VanDerWaalsContact C-N 3.34Å; G4-I6 PolarHBondContact O-N 3.05Å; G4-H8 VanDerWaalsContact O-CB 3.31Å; G4-H8 WeakPolarHBondContact O-CB 3.45Å; G4-H8 PolarHBondContact O-N 3.49Å
5T64.9Low68.6Low53 Ų5387.2 Ų87.233%0.32544%0.444SS..Hα-helixtrans-66.8-37.5177.5-44.90000111.4K2 L3 H8 H9K2-T5 WeakPolarHBondContact O-CB 3.41Å; K2-T5 PolarHBondContact O-N 3.08Å; K2-T5 PolarHBondContact O-OG1 3.07Å; L3-T5 VanDerWaalsContact C-N 3.34Å; L3-T5 PolarHBondContact O-N 3.16Å; T5-H8 WeakPolarHBondContact O-CB 3.44Å; T5-H8 PolarHBondContact O-N 2.98Å; T5-H9 PolarHBondContact O-N 3.21Å
6I69.3Low69Low64 Ų6484.9 Ų84.933%0.32843%0.429SS..Hα-helixtrans-64.5-54.5179.1-54.9-173.5000110.2M1 K2 L3 G4 H8 H9 Y10M1-I6 HydrophobicContact CE-CD1 4.45Å; M1-I6 HydrophobicContact CE-CG1 3.69Å; M1-I6 HydrophobicContact CG-CG1 4.22Å; K2-I6 PolarHBondContact O-N 3.19Å; L3-I6 WeakPolarHBondContact O-CB 3.49Å; L3-I6 PolarHBondContact O-N 3.43Å; G4-I6 VanDerWaalsContact C-N 3.34Å; G4-I6 PolarHBondContact O-N 3.05Å; I6-H8 PolarHBondContact O-N 3.06Å; I6-H9 PolarHBondContact O-N 2.94Å; I6-H9 VanDerWaalsContact O-N 3.15Å; I6-Y10 HydrophobicContact CG2-CD2 3.8Å; I6-Y10 HydrophobicContact CG2-CE2 3.52Å; I6-Y10 VanDerWaalsContact O-CD2 3.22Å; I6-Y10 WeakPolarHBondContact O-CD2 3.38Å; I6-Y10 PolarHBondContact O-N 3.14Å; I6-Y10 VanDerWaalsContact O-N 3.1Å
7L70.6Confident69.2Low115 Ų11585.1 Ų85.160%0.60245%0.447SS*.Hα-helixtrans-55-37.5175.7-83.5156.2000111.6L3 Y10 S11L3-L7 PolarHBondContact O-N 3.47Å; L3-L7 VanDerWaalsContact O-N 3.11Å; L7-Y10 PolarHBondContact O-N 2.84Å; L7-S11 PolarHBondContact O-N 3.36Å
8H67.1Low69.6Low47 Ų4786.2 Ų86.222%0.21845%0.452CS..Hα-helixtrans-64.8-45.2179.1-154.632000112.8G4 T5 I6 Y10 S11 T12 S145 K149G4-H8 VanDerWaalsContact O-CB 3.31Å; G4-H8 WeakPolarHBondContact O-CB 3.45Å; G4-H8 PolarHBondContact O-N 3.49Å; T5-H8 WeakPolarHBondContact O-CB 3.44Å; T5-H8 PolarHBondContact O-N 2.98Å; I6-H8 PolarHBondContact O-N 3.06Å; H8-Y10 PolarHBondContact O-N 3.43Å; H8-S11 PolarHBondContact O-N 3.31Å; H8-T12 PolarHBondContact O-N 3.39Å; H8-T12 VanDerWaalsContact O-N 3.1Å; H8-T12 PolarHBondContact O-OG1 2.98Å; H8-S145 PolarHBondContact CE1-OG 2.93Å; H8-S145 PolarHBondContact ND1-OG 2.87Å; H8-S145 PolarHBondContact NE2-OG 3.47Å; H8-K149 WeakPolarHBondContact CE1-CE 3.39Å; H8-K149 PolarHBondContact CE1-NZ 3.49Å; H8-K149 PolarHBondContact NE2-NZ 3.29Å
9H73.4Confident69.9Low21 Ų2185.2 Ų85.210%0.09746%0.464CS..Hα-helixtrans-63.5-40.5176.5-70.1-178.7000112.2T5 I6 T12 R13T5-H9 PolarHBondContact O-N 3.21Å; I6-H9 PolarHBondContact O-N 2.94Å; I6-H9 VanDerWaalsContact O-N 3.15Å; H9-T12 PolarHBondContact O-N 3.03Å; H9-R13 WeakPolarHBondContact O-CB 3.46Å; H9-R13 WeakPolarHBondContact O-CG 3.32Å; H9-R13 PolarHBondContact O-N 2.99Å
10Y75.9Confident69.8Low139 Ų13986 Ų8655%0.54547%0.467SS..Hα-helixtrans-62.3-43.3175-80-71.4000111.7I6 L7 H8 T12 R13 I14I6-Y10 HydrophobicContact CG2-CD2 3.8Å; I6-Y10 HydrophobicContact CG2-CE2 3.52Å; I6-Y10 VanDerWaalsContact O-CD2 3.22Å; I6-Y10 WeakPolarHBondContact O-CD2 3.38Å; I6-Y10 PolarHBondContact O-N 3.14Å; I6-Y10 VanDerWaalsContact O-N 3.1Å; L7-Y10 PolarHBondContact O-N 2.84Å; H8-Y10 PolarHBondContact O-N 3.43Å; Y10-T12 PolarHBondContact O-N 3.02Å; Y10-R13 PolarHBondContact O-N 3.26Å; Y10-I14 WeakPolarHBondContact O-CB 3.38Å; Y10-I14 VanDerWaalsContact O-CG1 3.27Å; Y10-I14 WeakPolarHBondContact O-CG1 3.37Å; Y10-I14 PolarHBondContact O-N 3.39Å
11S75.3Confident69.9Low75 Ų7582.7 Ų82.752%0.52445%0.45SS..Hα-helixtrans-60.3-44.8177.6-1780000112.4L7 H8 I14 G15L7-S11 PolarHBondContact O-N 3.36Å; H8-S11 PolarHBondContact O-N 3.31Å; S11-I14 PolarHBondContact O-N 3.31Å; S11-G15 PolarHBondContact O-N 3.1Å
12T74.3Confident70.9Confident5 Ų583 Ų833%0.03145%0.45CS..Hα-helixtrans-63.9-42.1175.6-58.50000111.7H8 H9 Y10 G15 Y16 T21 L141 D144 S145H8-T12 PolarHBondContact O-N 3.39Å; H8-T12 VanDerWaalsContact O-N 3.1Å; H8-T12 PolarHBondContact O-OG1 2.98Å; H9-T12 PolarHBondContact O-N 3.03Å; Y10-T12 PolarHBondContact O-N 3.02Å; T12-G15 CarbonylContact O-C 3.58Å; T12-G15 WeakPolarHBondContact O-CA 3.45Å; T12-G15 PolarHBondContact O-N 3.35Å; T12-G15 VanDerWaalsContact O-N 3.12Å; T12-Y16 HydrophobicContact CG2-CE1 4.06Å; T12-Y16 HydrophobicContact CG2-CE2 3.99Å; T12-Y16 PolarHBondContact O-N 3.23Å; T12-T21 HydrophobicContact CG2-CG2 4.35Å; T12-L141 HydrophobicContact CG2-CD2 4.19Å; T12-D144 HydrophobicContact CG2-CB 4.1Å; T12-S145 VanDerWaalsContact OG1-CB 3.22Å; T12-S145 WeakPolarHBondContact OG1-CB 3.35Å; T12-S145 PolarHBondContact OG1-OG 3.47Å
13R75Confident71.6Confident145 Ų14583.3 Ų83.355%0.54745%0.446SS..Hα-helixtrans-63.4-42.1177.3-74.4178.9179.3-167.4-0.5112.8H9 Y10 G15 Y16 A17 L141H9-R13 WeakPolarHBondContact O-CB 3.46Å; H9-R13 WeakPolarHBondContact O-CG 3.32Å; H9-R13 PolarHBondContact O-N 2.99Å; Y10-R13 PolarHBondContact O-N 3.26Å; R13-G15 VanDerWaalsContact C-N 3.29Å; R13-Y16 WeakPolarHBondContact O-CB 3.43Å; R13-Y16 PolarHBondContact O-N 3.38Å; R13-A17 PolarHBondContact O-N 3.38Å; R13-L141 HydrophobicContact CG-CD2 4.12Å
14I73.1Confident72.3Confident99 Ų9977.7 Ų77.751%0.50842%0.417SS..Hα-helixtrans-61.7-43.3172-68.4165.3000109.2Y10 S11 Y16 A17 I18Y10-I14 WeakPolarHBondContact O-CB 3.38Å; Y10-I14 VanDerWaalsContact O-CG1 3.27Å; Y10-I14 WeakPolarHBondContact O-CG1 3.37Å; Y10-I14 PolarHBondContact O-N 3.39Å; S11-I14 PolarHBondContact O-N 3.31Å; I14-Y16 VanDerWaalsContact C-N 3.3Å; I14-Y16 PolarHBondContact O-N 3.4Å; I14-A17 WeakPolarHBondContact O-CA 3.43Å; I14-A17 WeakPolarHBondContact O-CB 3.46Å; I14-A17 PolarHBondContact O-N 2.86Å; I14-I18 HydrophobicContact CG2-CD1 4.18Å; I14-I18 WeakPolarHBondContact O-CG1 3.45Å; I14-I18 PolarHBondContact O-N 2.96Å
15G72Confident73.1Confident6 Ų682.9 Ų82.96%0.06243%0.428CS..Hα-helixtrans-53.3-42.1175.200000113.5S11 T12 R13 G19 L20 T21S11-G15 PolarHBondContact O-N 3.1Å; T12-G15 CarbonylContact O-C 3.58Å; T12-G15 WeakPolarHBondContact O-CA 3.45Å; T12-G15 PolarHBondContact O-N 3.35Å; T12-G15 VanDerWaalsContact O-N 3.12Å; R13-G15 VanDerWaalsContact C-N 3.29Å; G15-G19 PolarHBondContact O-N 3.15Å; G15-G19 VanDerWaalsContact O-N 3.16Å; G15-L20 PolarHBondContact O-N 3.23Å; G15-T21 PolarHBondContact O-N 3.43Å
16Y76Confident73.9Confident51 Ų5182.2 Ų82.220%0.242%0.422CS..Hα-helixtrans-62.1-47171.7-57.7-42000111.9T12 R13 I14 I18 G19 T21 R23 L141 D144T12-Y16 HydrophobicContact CG2-CE1 4.06Å; T12-Y16 HydrophobicContact CG2-CE2 3.99Å; T12-Y16 PolarHBondContact O-N 3.23Å; R13-Y16 WeakPolarHBondContact O-CB 3.43Å; R13-Y16 PolarHBondContact O-N 3.38Å; I14-Y16 VanDerWaalsContact C-N 3.3Å; I14-Y16 PolarHBondContact O-N 3.4Å; Y16-I18 PolarHBondContact O-N 2.89Å; Y16-G19 PolarHBondContact O-N 2.83Å; Y16-T21 HydrophobicContact CD1-CG2 4.07Å; Y16-T21 WeakPolarHBondContact CD1-O 3.36Å; Y16-T21 HydrophobicContact CE1-CG2 3.77Å; Y16-R23 HydrophobicContact CD1-CB 4.29Å; Y16-R23 HydrophobicContact CE1-CB 3.96Å; Y16-R23 HydrophobicContact CE1-CG 4.21Å; Y16-L141 HydrophobicContact CE2-CD2 3.69Å; Y16-D144 HydrophobicContact CE1-CB 4.15Å; Y16-D144 WeakPolarHBondContact OH-CB 3.4Å; Y16-D144 PolarHBondContact OH-OD2 3.42Å
17A71.9Confident74.7Confident88 Ų8883.3 Ų83.373%0.72743%0.428SS*.Hα-helixtrans-63.2-29.7-17600000113.3R13 I14R13-A17 PolarHBondContact O-N 3.38Å; I14-A17 WeakPolarHBondContact O-CA 3.43Å; I14-A17 WeakPolarHBondContact O-CB 3.46Å; I14-A17 PolarHBondContact O-N 2.86Å
18I77Confident75.5Confident105 Ų10586.4 Ų86.454%0.53844%0.437SS..THydrogen-bonded Turntrans-102.3717967-176.7000113.7I14 Y16 L20I14-I18 HydrophobicContact CG2-CD1 4.18Å; I14-I18 WeakPolarHBondContact O-CG1 3.45Å; I14-I18 PolarHBondContact O-N 2.96Å; Y16-I18 PolarHBondContact O-N 2.89Å; I18-L20 VanDerWaalsContact C-N 3.29Å; I18-L20 HydrophobicContact CD1-CB 4.39Å; I18-L20 HydrophobicContact CD1-CD1 3.48Å; I18-L20 VanDerWaalsContact CD1-CD1 3.48Å; I18-L20 HydrophobicContact CD1-CG 3.93Å; I18-L20 HydrophobicContact CG1-CB 4.09Å; I18-L20 HydrophobicContact CG1-CD1 3.99Å; I18-L20 HydrophobicContact CG1-CG 3.83Å; I18-L20 PolarHBondContact O-N 3.02Å
19G73.9Confident76.6Confident67 Ų6789.7 Ų89.769%0.69146%0.456SS*.THydrogen-bonded Turntrans71.814.6177.500000115.6G15 Y16G15-G19 PolarHBondContact O-N 3.15Å; G15-G19 VanDerWaalsContact O-N 3.16Å; Y16-G19 PolarHBondContact O-N 2.83Å
20L69.6Low77.5Confident101 Ų10190 Ų9053%0.52946%0.459SS..SBendtrans-88.1-1.6177.7-70.6-176000113.5G15 I18G15-L20 PolarHBondContact O-N 3.23Å; I18-L20 VanDerWaalsContact C-N 3.29Å; I18-L20 HydrophobicContact CD1-CB 4.39Å; I18-L20 HydrophobicContact CD1-CD1 3.48Å; I18-L20 VanDerWaalsContact CD1-CD1 3.48Å; I18-L20 HydrophobicContact CD1-CG 3.93Å; I18-L20 HydrophobicContact CG1-CB 4.09Å; I18-L20 HydrophobicContact CG1-CD1 3.99Å; I18-L20 HydrophobicContact CG1-CG 3.83Å; I18-L20 PolarHBondContact O-N 3.02Å
21T70.3Confident78.2Confident17 Ų1790.7 Ų90.710%0.10446%0.46CS..SBendtrans-144.2126179.3-530000109.4T12 G15 Y16 D144 S148T12-T21 HydrophobicContact CG2-CG2 4.35Å; G15-T21 PolarHBondContact O-N 3.43Å; Y16-T21 HydrophobicContact CD1-CG2 4.07Å; Y16-T21 WeakPolarHBondContact CD1-O 3.36Å; Y16-T21 HydrophobicContact CE1-CG2 3.77Å; T21-D144 HydrophobicContact CG2-CB 4.09Å; T21-S148 PolarHBondContact OG1-OG 2.89Å
22E71.9Confident79.1Confident179 Ų17989.8 Ų89.884%0.83646%0.457SS*.PPolyproline II helixtrans-79.3139.1171.2-69.4177.5-179.100109.5
23R75.8Confident80Confident181 Ų18191.4 Ų91.468%0.68347%0.466SS*.PPolyproline II helixtrans-85.3131.8179.6-169.2171.9-178.6172.4-0.7109.2Y16 E25 D144Y16-R23 HydrophobicContact CD1-CB 4.29Å; Y16-R23 HydrophobicContact CE1-CB 3.96Å; Y16-R23 HydrophobicContact CE1-CG 4.21Å; R23-E25 PolarHBondContact O-N 2.91Å; R23-E25 VanDerWaalsContact O-N 3.08Å; R23-D144 WeakPolarHBondContact CA-OD2 3.45Å
24T78.6Confident80.9Confident21 Ų2186 Ų8613%0.12945%0.447CS..PPolyproline II helixtrans-63.2116.2168.6-64.20000108.8L143 D144 K147 Y171T24-L143 HydrophobicContact CG2-CD2 4.21Å; T24-D144 WeakPolarHBondContact CB-OD1 3.44Å; T24-D144 PolarHBondContact N-OD1 3.46Å; T24-D144 PolarHBondContact N-OD2 2.98Å; T24-D144 PolarHBondContact OG1-OD1 3.46Å; T24-K147 PolarHBondContact OG1-NZ 3.43Å; T24-Y171 HydrophobicContact CG2-CE1 4.39Å; T24-Y171 HydrophobicContact CG2-CE2 4.39Å
25E78.4Confident82Confident162 Ų16284.7 Ų84.776%0.75744%0.44SS*.PPolyproline II helixtrans-82.5135.5178-61.5-164.115600110.3R23R23-E25 PolarHBondContact O-N 2.91Å; R23-E25 VanDerWaalsContact O-N 3.08Å
26L82Confident83.2Confident39 Ų3989.2 Ų89.220%0.20446%0.455CS..PPolyproline II helixtrans-75.4147.9166.5-69.6170.1000109.2K28 L136 L175L26-K28 PolarHBondContact O-N 2.83Å; L26-L136 HydrophobicContact CD1-CD2 4.24Å; L26-L136 HydrophobicContact CD2-CD2 3.97Å; L26-L175 HydrophobicContact CD2-CD1 3.57Å
27D86.9Confident84.2Confident87 Ų8786.8 Ų86.847%0.46545%0.445SS..PPolyproline II helixtrans-49.9138.6170-179.7-94000110.3N29 I30 R31D27-N29 PolarHBondContact O-N 2.99Å; D27-N29 WeakPolarHBondContact OD1-CA 3.48Å; D27-N29 WeakPolarHBondContact OD1-CB 3.23Å; D27-N29 PolarHBondContact OD1-N 3.34Å; D27-N29 PolarHBondContact OD1-ND2 3Å; D27-N29 VanDerWaalsContact OD1-ND2 3.1Å; D27-I30 HydrophobicContact CB-CB 4.33Å; D27-I30 HydrophobicContact CB-CD1 3.88Å; D27-I30 HydrophobicContact CB-CG1 4.01Å; D27-I30 PolarHBondContact O-N 2.83Å; D27-R31 PolarHBondContact O-N 2.53Å
28K88.1Confident85.4Confident179 Ų17984.5 Ų84.578%0.77842%0.42SS*.Hα-helixtrans-57.7-35-174.8-69.7-178.8-179.6176.40111.9L26 A32L26-K28 PolarHBondContact O-N 2.83Å; K28-A32 WeakPolarHBondContact O-CB 3.42Å; K28-A32 PolarHBondContact O-N 3.18Å
29N90.1Very high86.3Confident116 Ų11685.8 Ų85.862%0.6242%0.421SS*.Hα-helixtrans-70.6-43.1178.4-54.9-52000111.1D27 R31 A32 L33D27-N29 PolarHBondContact O-N 2.99Å; D27-N29 WeakPolarHBondContact OD1-CA 3.48Å; D27-N29 WeakPolarHBondContact OD1-CB 3.23Å; D27-N29 PolarHBondContact OD1-N 3.34Å; D27-N29 PolarHBondContact OD1-ND2 3Å; D27-N29 VanDerWaalsContact OD1-ND2 3.1Å; N29-R31 VanDerWaalsContact C-N 3.31Å; N29-R31 PolarHBondContact O-N 3.24Å; N29-A32 PolarHBondContact O-N 2.97Å; N29-L33 WeakPolarHBondContact O-CG 3.42Å; N29-L33 PolarHBondContact O-N 3.1Å
30I91.4Very high87.5Confident29 Ų2983.8 Ų83.815%0.14939%0.394CS..Hα-helixtrans-61-43.7176.3-62.2175000110.2D27 L33 Q34 L175 F178 V179D27-I30 HydrophobicContact CB-CB 4.33Å; D27-I30 HydrophobicContact CB-CD1 3.88Å; D27-I30 HydrophobicContact CB-CG1 4.01Å; D27-I30 PolarHBondContact O-N 2.83Å; I30-L33 PolarHBondContact O-N 3.22Å; I30-Q34 PolarHBondContact O-N 3.38Å; I30-L175 HydrophobicContact CD1-CD1 4.14Å; I30-F178 HydrophobicContact CG2-CD1 4.03Å; I30-F178 HydrophobicContact CG2-CE1 3.8Å; I30-V179 HydrophobicContact CD1-CG2 3.59Å; I30-V179 HydrophobicContact CG1-CG2 4.08Å; I30-V179 HydrophobicContact CG2-CG2 4.41Å
31R91.7Very high88.8Confident152 Ų15279 Ų7957%0.57437%0.369SS*.Hα-helixtrans-64.6-39.9177-170.4172.8-177.6179-1.7112.2D27 N29 Q34 I35D27-R31 PolarHBondContact O-N 2.53Å; N29-R31 VanDerWaalsContact C-N 3.31Å; N29-R31 PolarHBondContact O-N 3.24Å; R31-Q34 PolarHBondContact O-N 2.95Å; R31-I35 HydrophobicContact CG-CD1 4.25Å; R31-I35 WeakPolarHBondContact O-CG1 3.33Å; R31-I35 PolarHBondContact O-N 2.83Å; R31-I35 VanDerWaalsContact O-N 3.08Å
32A93.1Very high90Very high57 Ų5783.4 Ų83.447%0.47139%0.388SS..Hα-helixtrans-63.3-43174.600000111.7K28 N29 I35 R36K28-A32 WeakPolarHBondContact O-CB 3.42Å; K28-A32 PolarHBondContact O-N 3.18Å; N29-A32 PolarHBondContact O-N 2.97Å; A32-I35 PolarHBondContact O-N 3.4Å; A32-R36 WeakPolarHBondContact O-CB 3.46Å; A32-R36 PolarHBondContact O-N 2.9Å
33L93.5Very high91.1Very high39 Ų3978.5 Ų78.520%0.20437%0.373CS..Hα-helixtrans-63.3-42.1175.2-73.5172.6000112.1N29 I30 R36 F37 V182N29-L33 WeakPolarHBondContact O-CG 3.42Å; N29-L33 PolarHBondContact O-N 3.1Å; I30-L33 PolarHBondContact O-N 3.22Å; L33-R36 PolarHBondContact O-N 2.8Å; L33-F37 WeakPolarHBondContact O-CB 3.47Å; L33-F37 PolarHBondContact O-N 3.45Å; L33-V182 HydrophobicContact CB-CB 4.15Å; L33-V182 HydrophobicContact CB-CG2 4.14Å; L33-V182 HydrophobicContact CD1-CG2 4.25Å
34Q94.4Very high92.1Very high32 Ų3270 Ų7015%0.1534%0.341CS..Hα-helixtrans-55.3-54173.6176.4-176.7-700111.3I30 R31 R36 F37 E38 F129 E133 F178I30-Q34 PolarHBondContact O-N 3.38Å; R31-Q34 PolarHBondContact O-N 2.95Å; Q34-R36 VanDerWaalsContact C-N 3.27Å; Q34-R36 PolarHBondContact O-N 2.96Å; Q34-F37 WeakPolarHBondContact O-CB 3.42Å; Q34-F37 PolarHBondContact O-N 3.14Å; Q34-E38 WeakPolarHBondContact CG-OE1 3.33Å; Q34-E38 PolarHBondContact NE2-OE1 3.26Å; Q34-E38 WeakPolarHBondContact O-CG 3.37Å; Q34-E38 PolarHBondContact O-N 2.84Å; Q34-F129 HydrophobicContact CG-CE2 4.35Å; Q34-F129 HydrophobicContact CG-CZ 4.01Å; Q34-E133 PolarHBondContact NE2-OE1 2.9Å; Q34-F178 HydrophobicContact CB-CE1 4.27Å; Q34-F178 HydrophobicContact CB-CZ 3.85Å; Q34-F178 HydrophobicContact CG-CZ 3.87Å
35I95.1Very high92.9Very high71 Ų7174 Ų7436%0.36435%0.354SS..Hα-helixtrans-61.3-39.5-178.3-67.5165.5000110.7R31 A32 E38 K39R31-I35 HydrophobicContact CG-CD1 4.25Å; R31-I35 WeakPolarHBondContact O-CG1 3.33Å; R31-I35 PolarHBondContact O-N 2.83Å; R31-I35 VanDerWaalsContact O-N 3.08Å; A32-I35 PolarHBondContact O-N 3.4Å; I35-E38 PolarHBondContact O-N 3.24Å; I35-K39 HydrophobicContact CG2-CD 4.26Å; I35-K39 WeakPolarHBondContact O-CG 3.49Å; I35-K39 PolarHBondContact O-N 3.23Å
36R96.8Very high93.7Very high101 Ų10170 Ų7038%0.38134%0.338SS..Hα-helixtrans-65.9-43.4177.4-168.5-172.9169.1-169.210.4111.3A32 L33 Q34 E38 K39 F40 L185 N186 E189A32-R36 WeakPolarHBondContact O-CB 3.46Å; A32-R36 PolarHBondContact O-N 2.9Å; L33-R36 PolarHBondContact O-N 2.8Å; Q34-R36 VanDerWaalsContact C-N 3.27Å; Q34-R36 PolarHBondContact O-N 2.96Å; R36-E38 VanDerWaalsContact C-N 3.29Å; R36-E38 PolarHBondContact O-N 3.41Å; R36-K39 PolarHBondContact O-N 3.1Å; R36-F40 WeakPolarHBondContact O-CB 3.42Å; R36-F40 PolarHBondContact O-N 3.04Å; R36-L185 HydrophobicContact CB-CD2 3.81Å; R36-L185 HydrophobicContact CG-CD2 3.72Å; R36-N186 PolarHBondContact NH1-OD1 3.29Å; R36-N186 PolarHBondContact NH2-OD1 2.9Å; R36-E189 IonicContact CZ-OE1 2.75Å; R36-E189 IonicContact CZ-OE2 3.33Å; R36-E189 VanDerWaalsContact CZ-OE2 3.28Å; R36-E189 IonicContact NE-OE1 2.56Å; R36-E189 PolarHBondContact NE-OE1 2.92Å; R36-E189 IonicContact NE-OE2 2.8Å; R36-E189 IonicContact NH2-OE1 3.28Å; R36-E189 PolarHBondContact NH2-OE1 2.96Å; R36-E189 IonicContact NH2-OE2 3.4Å; R36-E189 PolarHBondContact NH2-OE2 3.25Å
37F97.6Very high94.3Very high0 Ų070.4 Ų70.40%034%0.338CS..Hα-helixtrans-60.1-43175.3-150.1-64000110.5L33 Q34 F40 G41 F121 W126 F129 I181 V182 L185 Y188L33-F37 WeakPolarHBondContact O-CB 3.47Å; L33-F37 PolarHBondContact O-N 3.45Å; Q34-F37 WeakPolarHBondContact O-CB 3.42Å; Q34-F37 PolarHBondContact O-N 3.14Å; F37-F40 PolarHBondContact O-N 3.1Å; F37-G41 PolarHBondContact O-N 3.29Å; F37-F121 AromaticContact CE1-CZ 3.9Å; F37-F121 HydrophobicContact CE1-CZ 3.9Å; F37-F121 HydrophobicContact CZ-CE2 4.5Å; F37-F121 HydrophobicContact CZ-CZ 4.19Å; F37-W126 AromaticContact CD1-CE3 3.92Å; F37-W126 HydrophobicContact CD1-CE3 3.92Å; F37-W126 AromaticContact CD1-CZ3 3.96Å; F37-W126 HydrophobicContact CD1-CZ3 3.96Å; F37-W126 HydrophobicContact CE1-CE3 4.06Å; F37-W126 VanDerWaalsContact O-CZ3 3.31Å; F37-W126 WeakPolarHBondContact O-CZ3 3.44Å; F37-F129 HydrophobicContact CB-CD2 4.2Å; F37-F129 HydrophobicContact CB-CE1 4.46Å; F37-F129 HydrophobicContact CB-CE2 3.84Å; F37-F129 HydrophobicContact CB-CZ 3.99Å; F37-F129 HydrophobicContact CD1-CB 4.01Å; F37-F129 AromaticContact CD1-CD1 3.77Å; F37-F129 HydrophobicContact CD1-CD1 3.77Å; F37-F129 AromaticContact CD1-CD2 3.8Å; F37-F129 HydrophobicContact CD1-CD2 3.8Å; F37-F129 HydrophobicContact CD1-CE1 4.21Å; F37-F129 HydrophobicContact CD1-CE2 4.23Å; F37-F129 AromaticContact CD1-CG 3.55Å; F37-F129 HydrophobicContact CD1-CG 3.55Å; F37-F129 HydrophobicContact CD1-CZ 4.43Å; F37-F129 HydrophobicContact CD2-CD2 4.19Å; F37-F129 HydrophobicContact CE1-CB 3.67Å; F37-F129 HydrophobicContact CE1-CD1 4.23Å; F37-F129 HydrophobicContact CE1-CD2 4.22Å; F37-F129 AromaticContact CE1-CG 3.76Å; F37-F129 HydrophobicContact CE1-CG 3.76Å; F37-F129 HydrophobicContact CG-CD1 4.45Å; F37-F129 AromaticContact CG-CD2 3.79Å; F37-F129 HydrophobicContact CG-CD2 3.79Å; F37-F129 AromaticContact CG-CE2 3.96Å; F37-F129 HydrophobicContact CG-CE2 3.96Å; F37-F129 HydrophobicContact CG-CG 4.06Å; F37-F129 HydrophobicContact CG-CZ 4.38Å; F37-F129 HydrophobicContact CZ-CB 4.12Å; F37-F129 HydrophobicContact CZ-CG 4.43Å; F37-I181 HydrophobicContact CE2-CG2 4.39Å; F37-I181 HydrophobicContact CZ-CG2 4.47Å; F37-V182 HydrophobicContact CD2-CB 4.38Å; F37-V182 HydrophobicContact CD2-CG1 4.33Å; F37-L185 HydrophobicContact CB-CD1 4.31Å; F37-L185 HydrophobicContact CB-CD2 4.05Å; F37-L185 HydrophobicContact CD2-CB 3.71Å; F37-L185 HydrophobicContact CD2-CD1 3.78Å; F37-L185 HydrophobicContact CD2-CD2 4.17Å; F37-L185 HydrophobicContact CD2-CG 4.09Å; F37-L185 HydrophobicContact CE2-CB 4Å; F37-L185 HydrophobicContact CE2-CD1 4.18Å; F37-L185 HydrophobicContact CG-CD1 3.98Å; F37-L185 HydrophobicContact CG-CD2 4.42Å; F37-Y188 HydrophobicContact CE2-CD2 4.17Å; F37-Y188 HydrophobicContact CE2-CE2 4.28Å; F37-Y188 AromaticContact CZ-CD2 3.98Å; F37-Y188 HydrophobicContact CZ-CD2 3.98Å; F37-Y188 HydrophobicContact CZ-CE2 4.03Å
38E96.9Very high94.6Very high39 Ų3966.4 Ų66.418%0.18232%0.317CS..Hα-helixtrans-58.2-53.2177.2-78.2168.1-167.500112.6Q34 I35 R36 F40 G41 E42 W126 F129 K130 E133Q34-E38 WeakPolarHBondContact CG-OE1 3.33Å; Q34-E38 PolarHBondContact NE2-OE1 3.26Å; Q34-E38 WeakPolarHBondContact O-CG 3.37Å; Q34-E38 PolarHBondContact O-N 2.84Å; I35-E38 PolarHBondContact O-N 3.24Å; R36-E38 VanDerWaalsContact C-N 3.29Å; R36-E38 PolarHBondContact O-N 3.41Å; E38-F40 VanDerWaalsContact C-N 3.28Å; E38-F40 PolarHBondContact O-N 3.05Å; E38-G41 PolarHBondContact O-N 3.03Å; E38-E42 WeakPolarHBondContact O-CG 3.37Å; E38-E42 PolarHBondContact O-N 3.48Å; E38-W126 HydrophobicContact CB-CH2 4.29Å; E38-W126 HydrophobicContact CG-CH2 4.19Å; E38-F129 HydrophobicContact CG-CE1 3.61Å; E38-F129 HydrophobicContact CG-CZ 3.72Å; E38-K130 IonicContact OE1-NZ 2.62Å; E38-E133 VanDerWaalsContact OE1-OE1 3.06Å
39K97.3Very high94.8Very high133 Ų13362.3 Ų62.358%0.57830%0.304SS*.Hα-helixtrans-60.5-38.5178.1-74.1179173-175.20112.3I35 R36 S43I35-K39 HydrophobicContact CG2-CD 4.26Å; I35-K39 WeakPolarHBondContact O-CG 3.49Å; I35-K39 PolarHBondContact O-N 3.23Å; R36-K39 PolarHBondContact O-N 3.1Å; K39-S43 VanDerWaalsContact O-CB 3.25Å; K39-S43 WeakPolarHBondContact O-CB 3.46Å; K39-S43 PolarHBondContact O-N 3.11Å; K39-S43 PolarHBondContact O-OG 3.02Å
40F97.4Very high94.9Very high25 Ų2562.6 Ų62.611%0.1130%0.299CS..Hα-helixtrans-62.7-50.3176.6178.6-109.5000111.2R36 F37 E38 E42 S43 L44 F121 L185 E189 H192R36-F40 WeakPolarHBondContact O-CB 3.42Å; R36-F40 PolarHBondContact O-N 3.04Å; F37-F40 PolarHBondContact O-N 3.1Å; E38-F40 VanDerWaalsContact C-N 3.28Å; E38-F40 PolarHBondContact O-N 3.05Å; F40-E42 VanDerWaalsContact C-N 3.34Å; F40-E42 PolarHBondContact O-N 2.78Å; F40-S43 PolarHBondContact O-N 3.49Å; F40-L44 HydrophobicContact CE1-CD2 4.3Å; F40-L44 HydrophobicContact CZ-CD2 4.29Å; F40-L44 VanDerWaalsContact O-CB 3.28Å; F40-L44 WeakPolarHBondContact O-CB 3.4Å; F40-L44 PolarHBondContact O-N 2.75Å; F40-F121 AromaticContact CD1-CE1 3.96Å; F40-F121 HydrophobicContact CD1-CE1 3.96Å; F40-F121 AromaticContact CD1-CZ 3.72Å; F40-F121 HydrophobicContact CD1-CZ 3.72Å; F40-F121 HydrophobicContact CE1-CD1 4.4Å; F40-F121 AromaticContact CE1-CE1 3.7Å; F40-F121 HydrophobicContact CE1-CE1 3.7Å; F40-F121 AromaticContact CE1-CE2 4Å; F40-F121 HydrophobicContact CE1-CE2 4Å; F40-F121 AromaticContact CE1-CZ 3.47Å; F40-F121 HydrophobicContact CE1-CZ 3.47Å; F40-F121 VanDerWaalsContact CE1-CZ 3.47Å; F40-L185 HydrophobicContact CB-CD1 4.05Å; F40-L185 HydrophobicContact CD1-CD1 3.88Å; F40-L185 HydrophobicContact CG-CD1 4.07Å; F40-E189 HydrophobicContact CD2-CG 3.81Å; F40-E189 HydrophobicContact CE2-CB 4.46Å; F40-E189 HydrophobicContact CE2-CG 3.88Å; F40-E189 HydrophobicContact CG-CG 4.24Å; F40-E189 HydrophobicContact CZ-CG 4.35Å; F40-H192 HydrophobicContact CE2-CB 4.04Å; F40-H192 HydrophobicContact CZ-CB 3.82Å
41G96.9Very high94.7Very high0 Ų063 Ų630%030%0.301CS..Hα-helixtrans-63.1-36.417800000113.9F37 E38 R45 L122F37-G41 PolarHBondContact O-N 3.29Å; E38-G41 PolarHBondContact O-N 3.03Å; G41-R45 WeakPolarHBondContact O-CB 3.29Å; G41-R45 PolarHBondContact O-N 3.5Å; G41-R45 VanDerWaalsContact O-N 3.15Å; G41-L122 WeakPolarHBondContact O-CD2 3.25Å
42E96.4Very high94.5Very high110 Ų11057.7 Ų57.751%0.51429%0.285SS..Hα-helixtrans-68.8-46.1174.6-72.6175.8175.300112.3E38 F40 L44 R45 D46E38-E42 WeakPolarHBondContact O-CG 3.37Å; E38-E42 PolarHBondContact O-N 3.48Å; F40-E42 VanDerWaalsContact C-N 3.34Å; F40-E42 PolarHBondContact O-N 2.78Å; E42-L44 VanDerWaalsContact C-N 3.31Å; E42-L44 PolarHBondContact O-N 3.41Å; E42-R45 WeakPolarHBondContact O-CB 3.36Å; E42-R45 PolarHBondContact O-N 2.88Å; E42-D46 PolarHBondContact O-N 3.39Å
43S95.9Very high93.9Very high75 Ų7561.5 Ų61.552%0.52430%0.298SS..Hα-helixtrans-63.4-39.8178.4-570000111.4K39 F40 R45 D46 F47K39-S43 VanDerWaalsContact O-CB 3.25Å; K39-S43 WeakPolarHBondContact O-CB 3.46Å; K39-S43 PolarHBondContact O-N 3.11Å; K39-S43 PolarHBondContact O-OG 3.02Å; F40-S43 PolarHBondContact O-N 3.49Å; S43-R45 VanDerWaalsContact C-N 3.34Å; S43-D46 PolarHBondContact O-N 3.06Å; S43-F47 WeakPolarHBondContact O-CB 3.47Å; S43-F47 PolarHBondContact O-N 3.1Å
44L95.8Very high93.3Very high2 Ų265.1 Ų65.11%0.0132%0.321CS..Hα-helixtrans-67.7-35.3178.2-173.458.5000112.2F40 E42 F47 C48 F121 L122 H192F40-L44 HydrophobicContact CE1-CD2 4.3Å; F40-L44 HydrophobicContact CZ-CD2 4.29Å; F40-L44 VanDerWaalsContact O-CB 3.28Å; F40-L44 WeakPolarHBondContact O-CB 3.4Å; F40-L44 PolarHBondContact O-N 2.75Å; E42-L44 VanDerWaalsContact C-N 3.31Å; E42-L44 PolarHBondContact O-N 3.41Å; L44-F47 HydrophobicContact CD1-CD1 4.1Å; L44-F47 PolarHBondContact O-N 2.85Å; L44-C48 WeakPolarHBondContact O-CB 3.41Å; L44-C48 PolarHBondContact O-N 3.08Å; L44-C48 PolarHBondContact O-SG 3.28Å; L44-F121 HydrophobicContact CD2-CB 4.26Å; L44-F121 HydrophobicContact CD2-CD1 3.31Å; L44-F121 HydrophobicContact CD2-CE1 3.87Å; L44-F121 HydrophobicContact CD2-CG 3.97Å; L44-L122 HydrophobicContact CB-CD2 4.4Å; L44-L122 HydrophobicContact CD2-CD2 4.46Å; L44-L122 HydrophobicContact CD2-CG 4.41Å; L44-L122 HydrophobicContact CG-CD1 4.49Å; L44-L122 HydrophobicContact CG-CD2 4.47Å; L44-L122 HydrophobicContact CG-CG 4.42Å; L44-H192 WeakPolarHBondContact CD1-CE1 3.39Å; L44-H192 WeakPolarHBondContact CD1-ND1 3.35Å
45R95.6Very high92.5Very high106 Ų10664.3 Ų64.340%0.432%0.318SS..Hα-helixtrans-63.9-50.2173.2-169.4-175.7-48.1156.516.8111.4G41 E42 S43 F47 C48 D49 L122G41-R45 WeakPolarHBondContact O-CB 3.29Å; G41-R45 PolarHBondContact O-N 3.5Å; G41-R45 VanDerWaalsContact O-N 3.15Å; E42-R45 WeakPolarHBondContact O-CB 3.36Å; E42-R45 PolarHBondContact O-N 2.88Å; S43-R45 VanDerWaalsContact C-N 3.34Å; R45-F47 VanDerWaalsContact C-N 3.29Å; R45-F47 PolarHBondContact O-N 3.23Å; R45-C48 PolarHBondContact O-N 2.99Å; R45-C48 VanDerWaalsContact O-N 3.15Å; R45-D49 VanDerWaalsContact O-CG 3.29Å; R45-D49 PolarHBondContact O-N 3.42Å; R45-L122 HydrophobicContact CB-CD1 4.15Å; R45-L122 HydrophobicContact CB-CD2 4.34Å; R45-L122 HydrophobicContact CG-CD1 4.46Å
46D95.3Very high91Very high77 Ų7763.6 Ų63.641%0.41232%0.32SS..Hα-helixtrans-59.5-40.5177-179.552.6000111.8E42 S43 D49 K50E42-D46 PolarHBondContact O-N 3.39Å; S43-D46 PolarHBondContact O-N 3.06Å; D46-D49 PolarHBondContact O-N 3.36Å; D46-K50 VanDerWaalsContact CG-NZ 3.31Å; D46-K50 WeakPolarHBondContact O-CB 3.34Å; D46-K50 VanDerWaalsContact O-CG 3.3Å; D46-K50 WeakPolarHBondContact O-CG 3.48Å; D46-K50 PolarHBondContact O-N 3.13Å; D46-K50 WeakPolarHBondContact OD1-CE 3.39Å; D46-K50 IonicContact OD1-NZ 3.74Å; D46-K50 PolarHBondContact OD1-NZ 2.96Å; D46-K50 WeakPolarHBondContact OD2-CE 3.46Å; D46-K50 IonicContact OD2-NZ 3.31Å; D46-K50 PolarHBondContact OD2-NZ 3.01Å
47F94.3Very high89.1Confident49 Ų4961.7 Ų61.722%0.21532%0.32CS..Hα-helixtrans-58.2-51.4172.1170.3-96.2000112S43 L44 R45 D49 K50 M51 V114 L115 H192S43-F47 WeakPolarHBondContact O-CB 3.47Å; S43-F47 PolarHBondContact O-N 3.1Å; L44-F47 HydrophobicContact CD1-CD1 4.1Å; L44-F47 PolarHBondContact O-N 2.85Å; R45-F47 VanDerWaalsContact C-N 3.29Å; R45-F47 PolarHBondContact O-N 3.23Å; F47-D49 PolarHBondContact O-N 2.56Å; F47-K50 PolarHBondContact O-N 3.45Å; F47-M51 HydrophobicContact CD1-CG 4.46Å; F47-M51 HydrophobicContact CD2-CG 3.96Å; F47-M51 HydrophobicContact CE1-CG 4.13Å; F47-M51 HydrophobicContact CE2-CG 3.58Å; F47-M51 HydrophobicContact CE2-SD 4.24Å; F47-M51 HydrophobicContact CG-CG 4.39Å; F47-M51 HydrophobicContact CZ-CG 3.68Å; F47-M51 VanDerWaalsContact O-CB 3.31Å; F47-M51 WeakPolarHBondContact O-CB 3.34Å; F47-M51 VanDerWaalsContact O-CG 3.29Å; F47-M51 WeakPolarHBondContact O-CG 3.43Å; F47-M51 PolarHBondContact O-N 2.73Å; F47-V114 HydrophobicContact CE1-CG1 4.02Å; F47-V114 HydrophobicContact CZ-CG1 3.87Å; F47-L115 HydrophobicContact CE1-CD2 4.11Å; F47-H192 AromaticContact CD1-CE1 3.94Å; F47-H192 AromaticContact CE1-CE1 3.94Å
48C92.9Very high87.1Confident3 Ų365.1 Ų65.12%0.0234%0.344CS..Hα-helixtrans-60-44.9179.1-76.50000111.9L44 R45 M51 T52 S118 L122L44-C48 WeakPolarHBondContact O-CB 3.41Å; L44-C48 PolarHBondContact O-N 3.08Å; L44-C48 PolarHBondContact O-SG 3.28Å; R45-C48 PolarHBondContact O-N 2.99Å; R45-C48 VanDerWaalsContact O-N 3.15Å; C48-M51 PolarHBondContact O-N 2.87Å; C48-T52 VanDerWaalsContact O-CB 3.31Å; C48-T52 WeakPolarHBondContact O-CB 3.46Å; C48-T52 PolarHBondContact O-N 3.38Å; C48-T52 PolarHBondContact O-OG1 2.92Å; C48-S118 VanDerWaalsContact SG-CB 3.51Å; C48-L122 HydrophobicContact CB-CD1 4.49Å
49D92.1Very high85.2Confident93 Ų9369.9 Ų69.950%0.49738%0.377SS..Hα-helixtrans-62.8-47.4-179.6-68.5-18000110.7R45 D46 F47 T52 N53R45-D49 VanDerWaalsContact O-CG 3.29Å; R45-D49 PolarHBondContact O-N 3.42Å; D46-D49 PolarHBondContact O-N 3.36Å; F47-D49 PolarHBondContact O-N 2.56Å; D49-T52 PolarHBondContact O-N 3.42Å; D49-N53 PolarHBondContact O-N 2.88Å; D49-N53 PolarHBondContact O-ND2 3.34Å
50K91.7Very high83.1Confident121 Ų12172.3 Ų72.353%0.52639%0.39SS..Hα-helixtrans-63.7-45.2177.6-74.7171.6176165.10112.4D46 F47 T52 N53 V54D46-K50 VanDerWaalsContact CG-NZ 3.31Å; D46-K50 WeakPolarHBondContact O-CB 3.34Å; D46-K50 VanDerWaalsContact O-CG 3.3Å; D46-K50 WeakPolarHBondContact O-CG 3.48Å; D46-K50 PolarHBondContact O-N 3.13Å; D46-K50 WeakPolarHBondContact OD1-CE 3.39Å; D46-K50 IonicContact OD1-NZ 3.74Å; D46-K50 PolarHBondContact OD1-NZ 2.96Å; D46-K50 WeakPolarHBondContact OD2-CE 3.46Å; D46-K50 IonicContact OD2-NZ 3.31Å; D46-K50 PolarHBondContact OD2-NZ 3.01Å; F47-K50 PolarHBondContact O-N 3.45Å; K50-T52 VanDerWaalsContact C-N 3.34Å; K50-T52 PolarHBondContact O-N 3.23Å; K50-N53 PolarHBondContact O-N 3.44Å; K50-V54 PolarHBondContact O-N 3.44Å
51M89.1Confident81.2Confident39 Ų3980.3 Ų80.319%0.19242%0.419CS..Hα-helixtrans-68.5-34.4-179.8-74.7-65.7-7000112.4F47 C48 N53 V54 V55 M110 L115F47-M51 HydrophobicContact CD1-CG 4.46Å; F47-M51 HydrophobicContact CD2-CG 3.96Å; F47-M51 HydrophobicContact CE1-CG 4.13Å; F47-M51 HydrophobicContact CE2-CG 3.58Å; F47-M51 HydrophobicContact CE2-SD 4.24Å; F47-M51 HydrophobicContact CG-CG 4.39Å; F47-M51 HydrophobicContact CZ-CG 3.68Å; F47-M51 VanDerWaalsContact O-CB 3.31Å; F47-M51 WeakPolarHBondContact O-CB 3.34Å; F47-M51 VanDerWaalsContact O-CG 3.29Å; F47-M51 WeakPolarHBondContact O-CG 3.43Å; F47-M51 PolarHBondContact O-N 2.73Å; C48-M51 PolarHBondContact O-N 2.87Å; M51-N53 PolarHBondContact O-N 3.31Å; M51-V54 PolarHBondContact O-N 3.46Å; M51-V55 HydrophobicContact CE-CG2 3.84Å; M51-V55 WeakPolarHBondContact O-CB 3.15Å; M51-V55 VanDerWaalsContact O-CG2 3.29Å; M51-V55 WeakPolarHBondContact O-CG2 3.36Å; M51-V55 PolarHBondContact O-N 3.07Å; M51-M110 HydrophobicContact CE-CE 4.17Å; M51-M110 HydrophobicContact CE-CG 4Å; M51-M110 HydrophobicContact CE-SD 3.77Å; M51-L115 HydrophobicContact CB-CD1 4.25Å; M51-L115 HydrophobicContact CB-CD2 3.44Å; M51-L115 VanDerWaalsContact CB-CD2 3.44Å; M51-L115 HydrophobicContact CB-CG 4.47Å; M51-L115 HydrophobicContact CG-CD2 4.15Å
52T85.7Confident79.8Confident39 Ų3983.1 Ų83.124%0.23944%0.439CS..Hα-helixtrans-59.4-38.1175.8-58.60000110.8C48 D49 K50 V54 S56 R119C48-T52 VanDerWaalsContact O-CB 3.31Å; C48-T52 WeakPolarHBondContact O-CB 3.46Å; C48-T52 PolarHBondContact O-N 3.38Å; C48-T52 PolarHBondContact O-OG1 2.92Å; D49-T52 PolarHBondContact O-N 3.42Å; K50-T52 VanDerWaalsContact C-N 3.34Å; K50-T52 PolarHBondContact O-N 3.23Å; T52-V54 VanDerWaalsContact C-N 3.29Å; T52-V54 PolarHBondContact O-N 3.22Å; T52-S56 WeakPolarHBondContact CG2-OG 3.41Å; T52-S56 WeakPolarHBondContact O-CB 3.31Å; T52-S56 PolarHBondContact O-N 3.47Å; T52-S56 PolarHBondContact O-OG 3.36Å; T52-R119 PolarHBondContact OG1-NH2 3.29Å
53N81.4Confident78.8Confident137 Ų13778.9 Ų78.973%0.73342%0.421SS*.Hα-helixtrans-69.5-24176.8-65.5-33.8000114D49 K50 M51D49-N53 PolarHBondContact O-N 2.88Å; D49-N53 PolarHBondContact O-ND2 3.34Å; K50-N53 PolarHBondContact O-N 3.44Å; M51-N53 PolarHBondContact O-N 3.31Å
54V80.7Confident78.2Confident116 Ų11686.2 Ų86.270%0.70344%0.437SS*.Hα-helixtrans-91.5-38.7-179.2176.50000111.6K50 M51 T52K50-V54 PolarHBondContact O-N 3.44Å; M51-V54 PolarHBondContact O-N 3.46Å; T52-V54 VanDerWaalsContact C-N 3.29Å; T52-V54 PolarHBondContact O-N 3.22Å
55V76.7Confident77.7Confident14 Ų1487.3 Ų87.39%0.08545%0.445CS..Hα-helixtrans-93.2-32.4-170.41800000112.1M51 P57 Q107 M110 L115M51-V55 HydrophobicContact CE-CG2 3.84Å; M51-V55 WeakPolarHBondContact O-CB 3.15Å; M51-V55 VanDerWaalsContact O-CG2 3.29Å; M51-V55 WeakPolarHBondContact O-CG2 3.36Å; M51-V55 PolarHBondContact O-N 3.07Å; V55-P57 VanDerWaalsContact O-CD 3.27Å; V55-P57 WeakPolarHBondContact O-CD 3.45Å; V55-Q107 HydrophobicContact CG1-CB 4.35Å; V55-Q107 HydrophobicContact CG1-CG 4.49Å; V55-Q107 WeakPolarHBondContact O-CG 3.41Å; V55-M110 HydrophobicContact CG1-CB 3.92Å; V55-M110 HydrophobicContact CG1-CG 4.02Å; V55-M110 HydrophobicContact CG2-CB 4.4Å; V55-M110 HydrophobicContact CG2-CG 3.64Å; V55-L115 HydrophobicContact CB-CD1 4.18Å; V55-L115 HydrophobicContact CG1-CD1 4.34Å; V55-L115 HydrophobicContact CG2-CD1 4.3Å
56S64.9Low77.3Confident57 Ų5785.1 Ų85.140%0.39944%0.44SS..SBendtrans-67.3120.2-175.9-56.80000109.7T52 S58T52-S56 WeakPolarHBondContact CG2-OG 3.41Å; T52-S56 WeakPolarHBondContact O-CB 3.31Å; T52-S56 PolarHBondContact O-N 3.47Å; T52-S56 PolarHBondContact O-OG 3.36Å; S56-S58 PolarHBondContact O-N 3.4Å
57P57.3Low77Confident60 Ų6084 Ų8439%0.3944%0.438SS..  trans-60.8128.5163.626-29.2000106V55 T59V55-P57 VanDerWaalsContact O-CD 3.27Å; V55-P57 WeakPolarHBondContact O-CD 3.45Å; P57-T59 VanDerWaalsContact C-N 3.32Å; P57-T59 PolarHBondContact O-N 2.91Å
58S54.9Low76.8Confident72 Ų7286.8 Ų86.850%0.50345%0.45SS..  trans-51.6106.2164.747.20000106.6S56 E60 R61S56-S58 PolarHBondContact O-N 3.4Å; S58-E60 PolarHBondContact O-N 3.12Å; S58-R61 PolarHBondContact O-N 2.86Å; S58-R61 VanDerWaalsContact O-O 3.1Å; S58-R61 PolarHBondContact OG-O 3.43Å
59T57.2Low76.6Confident140 Ų14087 Ų8786%0.85945%0.452SS*.THydrogen-bonded Turntrans-57.8-8-169.231.30000114P57P57-T59 VanDerWaalsContact C-N 3.32Å; P57-T59 PolarHBondContact O-N 2.91Å
60E53.8Low76.6Confident183 Ų18387.5 Ų87.586%0.85545%0.451SS*.THydrogen-bonded Turntrans-117.2-8.7-178.6-64.3-179.3170.700114.3S58S58-E60 PolarHBondContact O-N 3.12Å
61R56.3Low76.7Confident194 Ų19485 Ų8573%0.73245%0.446SS*.SBendtrans-125.4125.9-178-65.3-177.6-175.7-179.81.1109.9S58 S63S58-R61 PolarHBondContact O-N 2.86Å; S58-R61 VanDerWaalsContact O-O 3.1Å; S58-R61 PolarHBondContact OG-O 3.43Å; R61-S63 PolarHBondContact O-N 2.88Å
62S67.6Low76.9Confident58 Ų5883.9 Ų83.941%0.40644%0.441SS..  trans-44.9136164.638.20000109E66S62-E66 VanDerWaalsContact CA-OE2 3.26Å; S62-E66 WeakPolarHBondContact CA-OE2 3.41Å; S62-E66 VanDerWaalsContact CB-OE2 3.23Å; S62-E66 WeakPolarHBondContact CB-OE2 3.33Å
63S75.6Confident77.2Confident21 Ų2186 Ų8615%0.14745%0.451CS..  trans-58.7155.6178.267.90000108.9R61 S65 E66 S67R61-S63 PolarHBondContact O-N 2.88Å; S63-S65 PolarHBondContact O-N 3.34Å; S63-S65 PolarHBondContact OG-OG 2.95Å; S63-E66 WeakPolarHBondContact O-CB 3.29Å; S63-E66 PolarHBondContact O-N 3.43Å; S63-E66 VanDerWaalsContact OG-CB 3.28Å; S63-E66 WeakPolarHBondContact OG-CB 3.45Å; S63-E66 PolarHBondContact OG-N 2.95Å; S63-S67 PolarHBondContact O-N 3.41Å
64R82.5Confident77.8Confident229 Ų22985.7 Ų85.786%0.86444%0.443SS*.Hα-helixtrans-55.6-37.1177.1-172.8-176-67167.1-0.7111.2F68R64-F68 VanDerWaalsContact O-CB 3.26Å; R64-F68 WeakPolarHBondContact O-CB 3.43Å; R64-F68 PolarHBondContact O-N 3.05Å
65S85.2Confident78.3Confident25 Ų2583.4 Ų83.418%0.17543%0.427CS..Hα-helixtrans-65.4-40.7175.448.60000112.2S63 F68 A69 V96 V100 E103S63-S65 PolarHBondContact O-N 3.34Å; S63-S65 PolarHBondContact OG-OG 2.95Å; S65-F68 PolarHBondContact O-N 2.91Å; S65-A69 WeakPolarHBondContact O-CB 3.24Å; S65-A69 PolarHBondContact O-N 3.49Å; S65-V96 WeakPolarHBondContact O-CG1 3.44Å; S65-V100 VanDerWaalsContact C-CG2 3.48Å; S65-E103 WeakPolarHBondContact CB-OE2 3.4Å; S65-E103 PolarHBondContact OG-OE2 3.41Å
66E87.1Confident79Confident61 Ų6183.3 Ų83.329%0.28543%0.427SS..Hα-helixtrans-67.4-47.3176.2-174.6-180-164.400111.7S62 S63 F68 A69 Q70 V100S62-E66 VanDerWaalsContact CA-OE2 3.26Å; S62-E66 WeakPolarHBondContact CA-OE2 3.41Å; S62-E66 VanDerWaalsContact CB-OE2 3.23Å; S62-E66 WeakPolarHBondContact CB-OE2 3.33Å; S63-E66 WeakPolarHBondContact O-CB 3.29Å; S63-E66 PolarHBondContact O-N 3.43Å; S63-E66 VanDerWaalsContact OG-CB 3.28Å; S63-E66 WeakPolarHBondContact OG-CB 3.45Å; S63-E66 PolarHBondContact OG-N 2.95Å; E66-F68 PolarHBondContact O-N 3.49Å; E66-A69 PolarHBondContact O-N 3.44Å; E66-Q70 WeakPolarHBondContact O-CB 3.4Å; E66-Q70 VanDerWaalsContact O-CG 3.32Å; E66-Q70 WeakPolarHBondContact O-CG 3.46Å; E66-Q70 PolarHBondContact O-N 3.25Å; E66-V100 HydrophobicContact CB-CG1 4.01Å; E66-V100 HydrophobicContact CB-CG2 4.31Å; E66-V100 HydrophobicContact CG-CG1 4.36Å
67S89Confident80.2Confident53 Ų5385.2 Ų85.237%0.37144%0.439SS..Hα-helixtrans-59.7-38.4175.1179.40000111.5S63 T71S63-S67 PolarHBondContact O-N 3.41Å; S67-T71 WeakPolarHBondContact O-CB 3.5Å; S67-T71 PolarHBondContact O-N 3.33Å; S67-T71 PolarHBondContact O-OG1 3.15Å
68F91Very high81.9Confident108 Ų10889.8 Ų89.847%0.47445%0.453SS..Hα-helixtrans-65.6-45.5174.6-175.8-121.1000112.2R64 S65 E66 Q70 T71 L72 V96R64-F68 VanDerWaalsContact O-CB 3.26Å; R64-F68 WeakPolarHBondContact O-CB 3.43Å; R64-F68 PolarHBondContact O-N 3.05Å; S65-F68 PolarHBondContact O-N 2.91Å; E66-F68 PolarHBondContact O-N 3.49Å; F68-Q70 PolarHBondContact O-N 3.1Å; F68-T71 PolarHBondContact O-N 3.28Å; F68-L72 HydrophobicContact CD1-CD1 4Å; F68-L72 HydrophobicContact CE1-CD1 3.6Å; F68-L72 HydrophobicContact CE1-CG 4.43Å; F68-L72 HydrophobicContact CE2-CD1 4.26Å; F68-L72 HydrophobicContact CE2-CD2 4.36Å; F68-L72 HydrophobicContact CE2-CG 4.22Å; F68-L72 HydrophobicContact CG-CD1 4.48Å; F68-L72 HydrophobicContact CZ-CD1 3.74Å; F68-L72 HydrophobicContact CZ-CD2 4.27Å; F68-L72 HydrophobicContact CZ-CG 4.16Å; F68-L72 WeakPolarHBondContact O-CG 3.33Å; F68-L72 PolarHBondContact O-N 3.46Å; F68-V96 HydrophobicContact CD1-CG1 3.91Å; F68-V96 HydrophobicContact CD1-CG2 3.98Å; F68-V96 HydrophobicContact CE1-CG2 3.91Å
69A89.9Confident83.6Confident7 Ų787.4 Ų87.46%0.05844%0.435CS..Hα-helixtrans-59.5-46.7175.900000112S65 E66 T71 L72 D73 V96 Q97S65-A69 WeakPolarHBondContact O-CB 3.24Å; S65-A69 PolarHBondContact O-N 3.49Å; E66-A69 PolarHBondContact O-N 3.44Å; A69-T71 VanDerWaalsContact C-N 3.3Å; A69-T71 PolarHBondContact O-N 3.11Å; A69-L72 PolarHBondContact O-N 2.98Å; A69-D73 PolarHBondContact O-N 3.22Å; A69-V96 HydrophobicContact CB-CB 4.08Å; A69-V96 HydrophobicContact CB-CG1 3.72Å; A69-Q97 HydrophobicContact CB-CB 4.39Å
70Q91.2Very high85.2Confident103 Ų10385.1 Ų85.148%0.48142%0.418SS..Hα-helixtrans-61.7-38.6177.4-70.7173.62.700111.8E66 F68 D73 F74E66-Q70 WeakPolarHBondContact O-CB 3.4Å; E66-Q70 VanDerWaalsContact O-CG 3.32Å; E66-Q70 WeakPolarHBondContact O-CG 3.46Å; E66-Q70 PolarHBondContact O-N 3.25Å; F68-Q70 PolarHBondContact O-N 3.1Å; Q70-D73 PolarHBondContact O-N 3.5Å; Q70-F74 WeakPolarHBondContact O-CB 3.4Å; Q70-F74 PolarHBondContact O-N 3.2Å
71T93.6Very high86.9Confident69 Ų6987 Ų8742%0.42342%0.417SS..Hα-helixtrans-65.4-44176.7-58.40000111.2S67 F68 A69 F74 I75S67-T71 WeakPolarHBondContact O-CB 3.5Å; S67-T71 PolarHBondContact O-N 3.33Å; S67-T71 PolarHBondContact O-OG1 3.15Å; F68-T71 PolarHBondContact O-N 3.28Å; A69-T71 VanDerWaalsContact C-N 3.3Å; A69-T71 PolarHBondContact O-N 3.11Å; T71-F74 PolarHBondContact O-N 3.44Å; T71-I75 HydrophobicContact CG2-CD1 4Å; T71-I75 VanDerWaalsContact O-CG1 3.26Å; T71-I75 WeakPolarHBondContact O-CG1 3.22Å; T71-I75 PolarHBondContact O-N 3.17Å
72L93.6Very high88.5Confident16 Ų1683.2 Ų83.28%0.08442%0.416CS..Hα-helixtrans-63.4-43.7176.8-70.5170.4000111.8F68 A69 F74 I75 A76 V89 L92 A93 V96F68-L72 HydrophobicContact CD1-CD1 4Å; F68-L72 HydrophobicContact CE1-CD1 3.6Å; F68-L72 HydrophobicContact CE1-CG 4.43Å; F68-L72 HydrophobicContact CE2-CD1 4.26Å; F68-L72 HydrophobicContact CE2-CD2 4.36Å; F68-L72 HydrophobicContact CE2-CG 4.22Å; F68-L72 HydrophobicContact CG-CD1 4.48Å; F68-L72 HydrophobicContact CZ-CD1 3.74Å; F68-L72 HydrophobicContact CZ-CD2 4.27Å; F68-L72 HydrophobicContact CZ-CG 4.16Å; F68-L72 WeakPolarHBondContact O-CG 3.33Å; F68-L72 PolarHBondContact O-N 3.46Å; A69-L72 PolarHBondContact O-N 2.98Å; L72-F74 VanDerWaalsContact C-N 3.32Å; L72-F74 PolarHBondContact O-N 2.94Å; L72-I75 PolarHBondContact O-N 2.89Å; L72-A76 PolarHBondContact O-N 3.15Å; L72-V89 HydrophobicContact CB-CG1 4.38Å; L72-V89 HydrophobicContact CD2-CG1 4.19Å; L72-V89 VanDerWaalsContact O-CG1 3.27Å; L72-V89 WeakPolarHBondContact O-CG1 3.15Å; L72-L92 HydrophobicContact CD1-CB 4.42Å; L72-L92 HydrophobicContact CD1-CD2 3.95Å; L72-L92 HydrophobicContact CD1-CG 3.75Å; L72-L92 HydrophobicContact CD2-CD2 4.06Å; L72-A93 HydrophobicContact CB-CB 3.7Å; L72-V96 HydrophobicContact CD1-CG2 3.96Å
73D91.5Very high89.5Confident84 Ų8484.5 Ų84.545%0.44942%0.418SS..Hα-helixtrans-62.3-41177.9-168.347.1000111.7A69 Q70 I75 A76 C77 A93A69-D73 PolarHBondContact O-N 3.22Å; Q70-D73 PolarHBondContact O-N 3.5Å; D73-I75 PolarHBondContact O-N 3.3Å; D73-A76 PolarHBondContact O-N 3.33Å; D73-C77 PolarHBondContact O-N 3.06Å; D73-C77 PolarHBondContact O-SG 3.23Å; D73-A93 HydrophobicContact CB-CB 4.21Å
74F93.5Very high90Very high129 Ų12988 Ų8857%0.56644%0.44SS*.Hα-helixtrans-60.8-44.5172.9178.6-96.8000112.3Q70 T71 L72 C77 K78Q70-F74 WeakPolarHBondContact O-CB 3.4Å; Q70-F74 PolarHBondContact O-N 3.2Å; T71-F74 PolarHBondContact O-N 3.44Å; L72-F74 VanDerWaalsContact C-N 3.32Å; L72-F74 PolarHBondContact O-N 2.94Å; F74-C77 PolarHBondContact O-N 3.27Å; F74-K78 HydrophobicContact CD1-CG 4.48Å; F74-K78 HydrophobicContact CE1-CG 4.05Å; F74-K78 HydrophobicContact CE2-CG 4.35Å; F74-K78 HydrophobicContact CZ-CG 3.99Å; F74-K78 WeakPolarHBondContact O-CG 3.38Å; F74-K78 PolarHBondContact O-N 2.92Å; F74-K78 VanDerWaalsContact O-N 3.15Å
75I92.5Very high90.3Very high69 Ų6982 Ų8235%0.35442%0.423SS..Hα-helixtrans-63.3-43.9176.8-67164.8000110.4T71 L72 D73 C77 K78 T79 V89T71-I75 HydrophobicContact CG2-CD1 4Å; T71-I75 VanDerWaalsContact O-CG1 3.26Å; T71-I75 WeakPolarHBondContact O-CG1 3.22Å; T71-I75 PolarHBondContact O-N 3.17Å; L72-I75 PolarHBondContact O-N 2.89Å; D73-I75 PolarHBondContact O-N 3.3Å; I75-C77 VanDerWaalsContact C-N 3.28Å; I75-C77 PolarHBondContact O-N 3.26Å; I75-K78 PolarHBondContact O-N 3.02Å; I75-K78 VanDerWaalsContact O-N 3.08Å; I75-T79 WeakPolarHBondContact O-CB 3.48Å; I75-T79 PolarHBondContact O-N 3.43Å; I75-T79 PolarHBondContact O-OG1 3.42Å; I75-V89 HydrophobicContact CB-CG1 4.12Å; I75-V89 HydrophobicContact CG2-CG1 3.98Å
76A90.6Very high90.6Very high11 Ų1182.3 Ų82.39%0.09142%0.422CS..Hα-helixtrans-59.1-39.7176.300000111.6L72 D73 K78 N86 V89L72-A76 PolarHBondContact O-N 3.15Å; D73-A76 PolarHBondContact O-N 3.33Å; A76-K78 VanDerWaalsContact C-N 3.29Å; A76-K78 PolarHBondContact O-N 3.04Å; A76-N86 PolarHBondContact O-ND2 2.96Å; A76-V89 HydrophobicContact CB-CB 4.36Å; A76-V89 HydrophobicContact CB-CG1 3.98Å
77C90.9Very high90.7Very high97 Ų9782 Ų8266%0.65543%0.427SS*.Hα-helixtrans-67.7-26.8176.4-710000113.9D73 F74 I75D73-C77 PolarHBondContact O-N 3.06Å; D73-C77 PolarHBondContact O-SG 3.23Å; F74-C77 PolarHBondContact O-N 3.27Å; I75-C77 VanDerWaalsContact C-N 3.28Å; I75-C77 PolarHBondContact O-N 3.26Å
78K92.4Very high90.7Very high157 Ų15782.1 Ų82.168%0.68342%0.424SS*.Hα-helixtrans-94.6-19-179.4-68.2-63.9-175.7-177.20114F74 I75 A76F74-K78 HydrophobicContact CD1-CG 4.48Å; F74-K78 HydrophobicContact CE1-CG 4.05Å; F74-K78 HydrophobicContact CE2-CG 4.35Å; F74-K78 HydrophobicContact CZ-CG 3.99Å; F74-K78 WeakPolarHBondContact O-CG 3.38Å; F74-K78 PolarHBondContact O-N 2.92Å; F74-K78 VanDerWaalsContact O-N 3.15Å; I75-K78 PolarHBondContact O-N 3.02Å; I75-K78 VanDerWaalsContact O-N 3.08Å; A76-K78 VanDerWaalsContact C-N 3.29Å; A76-K78 PolarHBondContact O-N 3.04Å
79T90.8Very high90.8Very high21 Ų2178 Ų7813%0.12941%0.407CS..SBendtrans-74.8139.5179.6-58.10000110I75 R81 M85 N86I75-T79 WeakPolarHBondContact O-CB 3.48Å; I75-T79 PolarHBondContact O-N 3.43Å; I75-T79 PolarHBondContact O-OG1 3.42Å; T79-R81 PolarHBondContact O-N 2.86Å; T79-M85 HydrophobicContact CG2-CE 3.67Å; T79-N86 HydrophobicContact CG2-CB 4.01Å; T79-N86 PolarHBondContact O-ND2 3.25Å
80D90.4Very high90.9Very high92 Ų9278.5 Ų78.549%0.49241%0.413SS..  trans-57.3123.6174.4-174.5-22.8000110.4T82 L83 N86D80-T82 PolarHBondContact O-N 3.19Å; D80-T82 VanDerWaalsContact O-N 3.15Å; D80-T82 WeakPolarHBondContact OD1-CB 3.47Å; D80-T82 WeakPolarHBondContact OD1-CG2 3.4Å; D80-T82 PolarHBondContact OD1-N 3.16Å; D80-T82 PolarHBondContact OD1-OG1 3.27Å; D80-T82 PolarHBondContact OD2-OG1 3.04Å; D80-L83 HydrophobicContact CB-CD1 4.03Å; D80-L83 HydrophobicContact CB-CG 4.08Å; D80-L83 WeakPolarHBondContact O-CB 3.22Å; D80-L83 PolarHBondContact O-N 2.97Å; D80-N86 WeakPolarHBondContact O-CB 3.38Å
81R89.8Confident90.9Very high223 Ų22376.2 Ų76.284%0.84240%0.404SS*.THydrogen-bonded Turntrans-65-15-177.4-67-177.4178.9171.8-1113.7T79 L83T79-R81 PolarHBondContact O-N 2.86Å; R81-L83 VanDerWaalsContact C-N 3.31Å
82T89.5Confident90.9Very high114 Ų11474.8 Ų74.870%0.69939%0.394SS*.THydrogen-bonded Turntrans-79.2-16.7175.565.30000112.7D80D80-T82 PolarHBondContact O-N 3.19Å; D80-T82 VanDerWaalsContact O-N 3.15Å; D80-T82 WeakPolarHBondContact OD1-CB 3.47Å; D80-T82 WeakPolarHBondContact OD1-CG2 3.4Å; D80-T82 PolarHBondContact OD1-N 3.16Å; D80-T82 PolarHBondContact OD1-OG1 3.27Å; D80-T82 PolarHBondContact OD2-OG1 3.04Å
83L89.5Confident90.9Very high86 Ų8674.1 Ų74.145%0.4539%0.391SS..SBendtrans-86133.7178.8-60.9176.9000110.5D80 R81 M85 N86D80-L83 HydrophobicContact CB-CD1 4.03Å; D80-L83 HydrophobicContact CB-CG 4.08Å; D80-L83 WeakPolarHBondContact O-CB 3.22Å; D80-L83 PolarHBondContact O-N 2.97Å; R81-L83 VanDerWaalsContact C-N 3.31Å; L83-M85 PolarHBondContact O-N 3.21Å; L83-M85 VanDerWaalsContact O-N 3.1Å; L83-N86 VanDerWaalsContact O-CB 3.27Å; L83-N86 WeakPolarHBondContact O-CB 3.48Å; L83-N86 PolarHBondContact O-N 3.32Å
84P86.5Confident90.9Very high94 Ų9473.5 Ų73.561%0.6139%0.393SS*.Hα-helixtrans-54-31.6174.7-27.234.7000113.5N86 S87 D88P84-N86 PolarHBondContact O-N 3.33Å; P84-N86 VanDerWaalsContact O-N 3.1Å; P84-S87 PolarHBondContact O-N 2.99Å; P84-S87 VanDerWaalsContact O-N 3.14Å; P84-S87 PolarHBondContact O-OG 3.24Å; P84-D88 PolarHBondContact O-N 2.85Å
85M88.8Confident90.9Very high102 Ų10267.9 Ų67.950%0.50237%0.369SS..Hα-helixtrans-57.6-27.5175.9-169.6179.574.400113.1T79 L83 D88 V89T79-M85 HydrophobicContact CG2-CE 3.67Å; L83-M85 PolarHBondContact O-N 3.21Å; L83-M85 VanDerWaalsContact O-N 3.1Å; M85-D88 PolarHBondContact O-N 3.47Å; M85-V89 HydrophobicContact CG-CG2 4.02Å; M85-V89 WeakPolarHBondContact O-CB 3.41Å; M85-V89 VanDerWaalsContact O-CG2 3.23Å; M85-V89 WeakPolarHBondContact O-CG2 3.4Å; M85-V89 PolarHBondContact O-N 3.36Å
86N90.7Very high91Very high32 Ų3265.1 Ų65.117%0.17136%0.356CS..Hα-helixtrans-61.8-48.2177-175.8-86.7000111.6A76 T79 D80 L83 P84 G90A76-N86 PolarHBondContact O-ND2 2.96Å; T79-N86 HydrophobicContact CG2-CB 4.01Å; T79-N86 PolarHBondContact O-ND2 3.25Å; D80-N86 WeakPolarHBondContact O-CB 3.38Å; L83-N86 VanDerWaalsContact O-CB 3.27Å; L83-N86 WeakPolarHBondContact O-CB 3.48Å; L83-N86 PolarHBondContact O-N 3.32Å; P84-N86 PolarHBondContact O-N 3.33Å; P84-N86 VanDerWaalsContact O-N 3.1Å; N86-G90 PolarHBondContact O-N 2.9Å
87S88.9Confident91.1Very high55 Ų5570 Ų7039%0.38538%0.377SS..Hα-helixtrans-66.1-39.9178.2470000111.5P84 G90 N91P84-S87 PolarHBondContact O-N 2.99Å; P84-S87 VanDerWaalsContact O-N 3.14Å; P84-S87 PolarHBondContact O-OG 3.24Å; S87-G90 PolarHBondContact O-N 3.44Å; S87-N91 VanDerWaalsContact O-CB 3.3Å; S87-N91 WeakPolarHBondContact O-CB 3.5Å; S87-N91 PolarHBondContact O-N 3.24Å; S87-N91 PolarHBondContact O-ND2 3.15Å
88D90.3Very high91.2Very high56 Ų5666.7 Ų66.730%0.29936%0.356SS..Hα-helixtrans-62.9-48.2179.8-64.9-16.3000111.6P84 M85 G90 N91 L92P84-D88 PolarHBondContact O-N 2.85Å; M85-D88 PolarHBondContact O-N 3.47Å; D88-G90 VanDerWaalsContact C-N 3.34Å; D88-G90 PolarHBondContact O-N 2.93Å; D88-N91 PolarHBondContact O-N 3.28Å; D88-L92 WeakPolarHBondContact O-CB 3.49Å; D88-L92 PolarHBondContact O-N 3.27Å
89V92Very high91.3Very high21 Ų2159.8 Ų59.813%0.12733%0.327CS..Hα-helixtrans-65-39.9178.8178.70000110.6L72 I75 A76 M85 L92 A93L72-V89 HydrophobicContact CB-CG1 4.38Å; L72-V89 HydrophobicContact CD2-CG1 4.19Å; L72-V89 VanDerWaalsContact O-CG1 3.27Å; L72-V89 WeakPolarHBondContact O-CG1 3.15Å; I75-V89 HydrophobicContact CB-CG1 4.12Å; I75-V89 HydrophobicContact CG2-CG1 3.98Å; A76-V89 HydrophobicContact CB-CB 4.36Å; A76-V89 HydrophobicContact CB-CG1 3.98Å; M85-V89 HydrophobicContact CG-CG2 4.02Å; M85-V89 WeakPolarHBondContact O-CB 3.41Å; M85-V89 VanDerWaalsContact O-CG2 3.23Å; M85-V89 WeakPolarHBondContact O-CG2 3.4Å; M85-V89 PolarHBondContact O-N 3.36Å; V89-L92 PolarHBondContact O-N 3.19Å; V89-A93 WeakPolarHBondContact O-CB 3.35Å; V89-A93 PolarHBondContact O-N 3.47Å
90G91.3Very high91.3Very high18 Ų1859.2 Ų59.219%0.18632%0.323CS..Hα-helixtrans-65-41.4176.100000113.4N86 S87 D88 A93 S94N86-G90 PolarHBondContact O-N 2.9Å; S87-G90 PolarHBondContact O-N 3.44Å; D88-G90 VanDerWaalsContact C-N 3.34Å; D88-G90 PolarHBondContact O-N 2.93Å; G90-A93 PolarHBondContact O-N 3.42Å; G90-S94 WeakPolarHBondContact O-CB 3.31Å; G90-S94 PolarHBondContact O-N 2.83Å; G90-S94 PolarHBondContact O-OG 3.1Å
91N92.2Very high91.4Very high55 Ų5559.4 Ų59.429%0.29433%0.327SS..Hα-helixtrans-66.1-39.7175.3-73.3-24000111.3S87 D88 S94 C95 Y217S87-N91 VanDerWaalsContact O-CB 3.3Å; S87-N91 WeakPolarHBondContact O-CB 3.5Å; S87-N91 PolarHBondContact O-N 3.24Å; S87-N91 PolarHBondContact O-ND2 3.15Å; D88-N91 PolarHBondContact O-N 3.28Å; N91-S94 PolarHBondContact O-N 3.46Å; N91-C95 WeakPolarHBondContact O-CB 3.38Å; N91-C95 PolarHBondContact O-N 2.88Å; N91-Y217 HydrophobicContact CB-CD2 4.03Å; N91-Y217 HydrophobicContact CB-CE2 4.18Å
92L93.5Very high91.5Very high38 Ų3849.3 Ų49.320%0.19929%0.291CS..Hα-helixtrans-65.3-45.1175-173.859.2000111L72 D88 V89 S94 C95 V96 Y217L72-L92 HydrophobicContact CD1-CB 4.42Å; L72-L92 HydrophobicContact CD1-CD2 3.95Å; L72-L92 HydrophobicContact CD1-CG 3.75Å; L72-L92 HydrophobicContact CD2-CD2 4.06Å; D88-L92 WeakPolarHBondContact O-CB 3.49Å; D88-L92 PolarHBondContact O-N 3.27Å; V89-L92 PolarHBondContact O-N 3.19Å; L92-S94 VanDerWaalsContact C-N 3.31Å; L92-S94 PolarHBondContact O-N 2.95Å; L92-C95 WeakPolarHBondContact O-CB 3.48Å; L92-C95 PolarHBondContact O-N 3.42Å; L92-C95 VanDerWaalsContact O-N 3.14Å; L92-V96 HydrophobicContact CD1-CG2 4.32Å; L92-V96 HydrophobicContact CG-CG2 4.45Å; L92-V96 WeakPolarHBondContact O-CG2 3.43Å; L92-V96 PolarHBondContact O-N 3.4Å; L92-Y217 HydrophobicContact CB-CD2 4.18Å; L92-Y217 HydrophobicContact CB-CE2 3.54Å; L92-Y217 HydrophobicContact CD1-CD1 4.19Å; L92-Y217 HydrophobicContact CD1-CD2 4.32Å; L92-Y217 HydrophobicContact CD1-CE1 3.91Å; L92-Y217 HydrophobicContact CD1-CE2 4.05Å; L92-Y217 HydrophobicContact CD1-CG 4.39Å; L92-Y217 HydrophobicContact CG-CE2 4.33Å
93A92.6Very high91.6Very high3 Ų345.9 Ų45.93%0.02527%0.267CS..Hα-helixtrans-55.2-48.6175.500000110.9L72 D73 V89 G90 C95 V96 Q97L72-A93 HydrophobicContact CB-CB 3.7Å; D73-A93 HydrophobicContact CB-CB 4.21Å; V89-A93 WeakPolarHBondContact O-CB 3.35Å; V89-A93 PolarHBondContact O-N 3.47Å; G90-A93 PolarHBondContact O-N 3.42Å; A93-C95 VanDerWaalsContact C-N 3.34Å; A93-C95 PolarHBondContact O-N 3.17Å; A93-V96 PolarHBondContact O-N 2.84Å; A93-Q97 WeakPolarHBondContact O-CB 3.48Å; A93-Q97 PolarHBondContact O-N 3.4Å
94S92.2Very high91.6Very high71 Ų7144.8 Ų44.850%0.49726%0.26SS..Hα-helixtrans-61-40.4176.9-61.40000112.7G90 N91 L92 A98G90-S94 WeakPolarHBondContact O-CB 3.31Å; G90-S94 PolarHBondContact O-N 2.83Å; G90-S94 PolarHBondContact O-OG 3.1Å; N91-S94 PolarHBondContact O-N 3.46Å; L92-S94 VanDerWaalsContact C-N 3.31Å; L92-S94 PolarHBondContact O-N 2.95Å; S94-A98 PolarHBondContact O-N 2.97Å; S94-A98 VanDerWaalsContact O-N 3.1Å
95C93.9Very high91.9Very high10 Ų1045.9 Ų45.97%0.06826%0.255CS..Hα-helixtrans-61.7-50.6175.4178.10000111.5N91 L92 A93 Q97 A98 I99 K213N91-C95 WeakPolarHBondContact O-CB 3.38Å; N91-C95 PolarHBondContact O-N 2.88Å; L92-C95 WeakPolarHBondContact O-CB 3.48Å; L92-C95 PolarHBondContact O-N 3.42Å; L92-C95 VanDerWaalsContact O-N 3.14Å; A93-C95 VanDerWaalsContact C-N 3.34Å; A93-C95 PolarHBondContact O-N 3.17Å; C95-Q97 VanDerWaalsContact C-N 3.35Å; C95-Q97 PolarHBondContact O-N 2.85Å; C95-A98 PolarHBondContact O-N 2.8Å; C95-I99 WeakPolarHBondContact O-CG1 3.31Å; C95-I99 PolarHBondContact O-N 3.09Å; C95-K213 VanDerWaalsContact SG-C 3.54Å; C95-K213 PolarHBondContact SG-O 3.1Å
96V93.9Very high92Very high11 Ų1142.4 Ų42.47%0.06724%0.239CC..Hα-helixtrans-63.8-41.9180-179.10000110.5S65 F68 A69 L72 L92 A93 A98 I99 V100S65-V96 WeakPolarHBondContact O-CG1 3.44Å; F68-V96 HydrophobicContact CD1-CG1 3.91Å; F68-V96 HydrophobicContact CD1-CG2 3.98Å; F68-V96 HydrophobicContact CE1-CG2 3.91Å; A69-V96 HydrophobicContact CB-CB 4.08Å; A69-V96 HydrophobicContact CB-CG1 3.72Å; L72-V96 HydrophobicContact CD1-CG2 3.96Å; L92-V96 HydrophobicContact CD1-CG2 4.32Å; L92-V96 HydrophobicContact CG-CG2 4.45Å; L92-V96 WeakPolarHBondContact O-CG2 3.43Å; L92-V96 PolarHBondContact O-N 3.4Å; A93-V96 PolarHBondContact O-N 2.84Å; V96-A98 VanDerWaalsContact C-N 3.29Å; V96-A98 PolarHBondContact O-N 3.4Å; V96-I99 CarbonylContact O-C 3.6Å; V96-I99 WeakPolarHBondContact O-CA 3.47Å; V96-I99 WeakPolarHBondContact O-CB 3.43Å; V96-I99 PolarHBondContact O-N 2.92Å; V96-V100 HydrophobicContact CG1-CG2 4.45Å; V96-V100 WeakPolarHBondContact O-CG2 3.44Å; V96-V100 PolarHBondContact O-N 3.19Å
97Q93.3Very high92.1Very high115 Ų11542.1 Ų42.154%0.53724%0.236SC..Hα-helixtrans-61.5-37.9178.6-158.9173.826.400112.1A69 A93 C95 I99 V100 V101A69-Q97 HydrophobicContact CB-CB 4.39Å; A93-Q97 WeakPolarHBondContact O-CB 3.48Å; A93-Q97 PolarHBondContact O-N 3.4Å; C95-Q97 VanDerWaalsContact C-N 3.35Å; C95-Q97 PolarHBondContact O-N 2.85Å; Q97-I99 VanDerWaalsContact C-N 3.31Å; Q97-I99 PolarHBondContact O-N 3.24Å; Q97-V100 WeakPolarHBondContact O-CB 3.22Å; Q97-V100 PolarHBondContact O-N 2.56Å; Q97-V101 WeakPolarHBondContact O-CG2 3.4Å; Q97-V101 PolarHBondContact O-N 2.8Å; Q97-V101 VanDerWaalsContact O-N 3.1Å
98A93.2Very high92.2Very high26 Ų2647 Ų4722%0.21525%0.246CC..Hα-helixtrans-65.5-33173.200000113S94 C95 V96 A102 K213S94-A98 PolarHBondContact O-N 2.97Å; S94-A98 VanDerWaalsContact O-N 3.1Å; C95-A98 PolarHBondContact O-N 2.8Å; V96-A98 VanDerWaalsContact C-N 3.29Å; V96-A98 PolarHBondContact O-N 3.4Å; A98-A102 PolarHBondContact O-N 3.38Å; A98-K213 HydrophobicContact CB-CD 3.81Å; A98-K213 HydrophobicContact CB-CG 4.15Å
99I93.9Very high92.4Very high13 Ų1346.6 Ų46.67%0.06724%0.244CC..Hα-helixtrans-70.8-39.9174.7-65.4170.5000110.6C95 V96 Q97 V101 A102 E103 Y206 A210 K213 F214C95-I99 WeakPolarHBondContact O-CG1 3.31Å; C95-I99 PolarHBondContact O-N 3.09Å; V96-I99 CarbonylContact O-C 3.6Å; V96-I99 WeakPolarHBondContact O-CA 3.47Å; V96-I99 WeakPolarHBondContact O-CB 3.43Å; V96-I99 PolarHBondContact O-N 2.92Å; Q97-I99 VanDerWaalsContact C-N 3.31Å; Q97-I99 PolarHBondContact O-N 3.24Å; I99-V101 VanDerWaalsContact C-N 3.33Å; I99-V101 PolarHBondContact O-N 3.07Å; I99-A102 CarbonylContact O-C 3.53Å; I99-A102 WeakPolarHBondContact O-CA 3.33Å; I99-A102 WeakPolarHBondContact O-CB 3.27Å; I99-A102 PolarHBondContact O-N 2.85Å; I99-E103 PolarHBondContact O-N 2.9Å; I99-Y206 HydrophobicContact CG2-CE2 4.29Å; I99-A210 HydrophobicContact CD1-CB 4.35Å; I99-A210 HydrophobicContact CG1-CB 4.25Å; I99-A210 HydrophobicContact CG2-CB 4.43Å; I99-K213 HydrophobicContact CD1-CB 4.44Å; I99-K213 HydrophobicContact CG1-CB 4.18Å; I99-F214 HydrophobicContact CD1-CD1 4.23Å; I99-F214 HydrophobicContact CD1-CD2 4.17Å; I99-F214 HydrophobicContact CD1-CE1 3.63Å; I99-F214 HydrophobicContact CD1-CE2 3.57Å; I99-F214 HydrophobicContact CD1-CG 4.47Å; I99-F214 HydrophobicContact CD1-CZ 3.26Å
100V91.9Very high92.5Very high8 Ų845.9 Ų45.95%0.04824%0.239CC..Hα-helixtrans-57.9-45174.51720000111S65 E66 V96 Q97 A102 E103 H104S65-V100 VanDerWaalsContact C-CG2 3.48Å; E66-V100 HydrophobicContact CB-CG1 4.01Å; E66-V100 HydrophobicContact CB-CG2 4.31Å; E66-V100 HydrophobicContact CG-CG1 4.36Å; V96-V100 HydrophobicContact CG1-CG2 4.45Å; V96-V100 WeakPolarHBondContact O-CG2 3.44Å; V96-V100 PolarHBondContact O-N 3.19Å; Q97-V100 WeakPolarHBondContact O-CB 3.22Å; Q97-V100 PolarHBondContact O-N 2.56Å; V100-A102 VanDerWaalsContact C-N 3.26Å; V100-A102 PolarHBondContact O-N 3.35Å; V100-E103 WeakPolarHBondContact O-CB 3.4Å; V100-E103 PolarHBondContact O-N 3.08Å; V100-E103 VanDerWaalsContact O-N 3.15Å; V100-H104 PolarHBondContact O-CD2 2.96Å; V100-H104 VanDerWaalsContact O-CD2 3.25Å; V100-H104 PolarHBondContact O-N 2.93Å
101V91.3Very high92.6Very high96 Ų9648 Ų4858%0.58224%0.244SC*.Hα-helixtrans-59.8-39.3174.9173.80000111.5Q97 I99 H104 K105Q97-V101 WeakPolarHBondContact O-CG2 3.4Å; Q97-V101 PolarHBondContact O-N 2.8Å; Q97-V101 VanDerWaalsContact O-N 3.1Å; I99-V101 VanDerWaalsContact C-N 3.33Å; I99-V101 PolarHBondContact O-N 3.07Å; V101-H104 PolarHBondContact O-N 3.3Å; V101-K105 PolarHBondContact O-N 3.02Å; V101-K105 VanDerWaalsContact O-N 3.12Å
102A92.4Very high92.6Very high11 Ų1149.8 Ų49.89%0.09126%0.257CS..Hα-helixtrans-69.5-35.7176.700000112.5A98 I99 V100 K105 L106 Y206 L209A98-A102 PolarHBondContact O-N 3.38Å; I99-A102 CarbonylContact O-C 3.53Å; I99-A102 WeakPolarHBondContact O-CA 3.33Å; I99-A102 WeakPolarHBondContact O-CB 3.27Å; I99-A102 PolarHBondContact O-N 2.85Å; V100-A102 VanDerWaalsContact C-N 3.26Å; V100-A102 PolarHBondContact O-N 3.35Å; A102-K105 WeakPolarHBondContact O-CB 3.43Å; A102-K105 PolarHBondContact O-N 3.32Å; A102-L106 WeakPolarHBondContact O-CB 3.5Å; A102-L106 PolarHBondContact O-N 3.14Å; A102-Y206 HydrophobicContact CB-CD2 3.98Å; A102-Y206 HydrophobicContact CB-CE2 4.2Å; A102-L209 HydrophobicContact CB-CD1 4.48Å; A102-L209 HydrophobicContact CB-CD2 3.5Å; A102-L209 VanDerWaalsContact CB-CD2 3.5Å; A102-L209 HydrophobicContact CB-CG 4.48Å
103E90.9Very high92.7Very high42 Ų4252.9 Ų52.920%0.19627%0.269CS..Hα-helixtrans-63.9-43.5173.9-171.6179.5176.600110.9S65 I99 V100 K105 L106 Q107 Y206S65-E103 WeakPolarHBondContact CB-OE2 3.4Å; S65-E103 PolarHBondContact OG-OE2 3.41Å; I99-E103 PolarHBondContact O-N 2.9Å; V100-E103 WeakPolarHBondContact O-CB 3.4Å; V100-E103 PolarHBondContact O-N 3.08Å; V100-E103 VanDerWaalsContact O-N 3.15Å; E103-K105 VanDerWaalsContact C-N 3.26Å; E103-K105 PolarHBondContact O-N 3Å; E103-L106 VanDerWaalsContact O-CB 3.31Å; E103-L106 WeakPolarHBondContact O-CB 3.48Å; E103-L106 PolarHBondContact O-N 2.77Å; E103-Q107 VanDerWaalsContact O-CG 3.3Å; E103-Q107 WeakPolarHBondContact O-CG 3.33Å; E103-Q107 PolarHBondContact O-N 2.88Å; E103-Y206 HydrophobicContact CB-CE2 4.02Å
104H90.3Very high92.8Very high64 Ų6452.8 Ų52.830%0.29627%0.268SS..Hα-helixtrans-63.5-32173-69.1-48.8000113.2V100 V101 Q107 R108V100-H104 PolarHBondContact O-CD2 2.96Å; V100-H104 VanDerWaalsContact O-CD2 3.25Å; V100-H104 PolarHBondContact O-N 2.93Å; V101-H104 PolarHBondContact O-N 3.3Å; H104-Q107 PolarHBondContact ND1-OE1 3.29Å; H104-R108 WeakPolarHBondContact O-CG 3.45Å; H104-R108 PolarHBondContact O-N 3.47Å; H104-R108 PolarHBondContact O-NE 3.39Å
105K91.8Very high92.9Very high117 Ų11749.4 Ų49.451%0.50924%0.244SC..Hα-helixtrans-68.7-46.9172.1-173.7-176.2174.8-171.60111V101 A102 E103 Q107 R108 D109V101-K105 PolarHBondContact O-N 3.02Å; V101-K105 VanDerWaalsContact O-N 3.12Å; A102-K105 WeakPolarHBondContact O-CB 3.43Å; A102-K105 PolarHBondContact O-N 3.32Å; E103-K105 VanDerWaalsContact C-N 3.26Å; E103-K105 PolarHBondContact O-N 3Å; K105-Q107 VanDerWaalsContact C-N 3.29Å; K105-Q107 PolarHBondContact O-N 3.01Å; K105-R108 PolarHBondContact O-N 2.95Å; K105-D109 VanDerWaalsContact CE-OD2 3.29Å; K105-D109 WeakPolarHBondContact CE-OD2 3.24Å; K105-D109 WeakPolarHBondContact O-CB 3.31Å; K105-D109 PolarHBondContact O-N 3.41Å
106L92.5Very high92.9Very high29 Ų2954.4 Ų54.415%0.15227%0.265CS..Hα-helixtrans-50.9-50.4174.5175.281.6000110.7A102 E103 D109 M110 I202 L203 Y206A102-L106 WeakPolarHBondContact O-CB 3.5Å; A102-L106 PolarHBondContact O-N 3.14Å; E103-L106 VanDerWaalsContact O-CB 3.31Å; E103-L106 WeakPolarHBondContact O-CB 3.48Å; E103-L106 PolarHBondContact O-N 2.77Å; L106-D109 PolarHBondContact O-N 2.92Å; L106-M110 WeakPolarHBondContact O-CB 3.49Å; L106-M110 PolarHBondContact O-N 2.97Å; L106-I202 HydrophobicContact CD1-CG2 3.47Å; L106-I202 VanDerWaalsContact CD1-CG2 3.47Å; L106-I202 HydrophobicContact CG-CG2 4.4Å; L106-L203 HydrophobicContact CD1-CD2 3.8Å; L106-L203 HydrophobicContact CD1-CG 4.33Å; L106-L203 HydrophobicContact CD2-CD2 4.4Å; L106-Y206 HydrophobicContact CB-CD2 4.19Å; L106-Y206 HydrophobicContact CB-CG 4.33Å; L106-Y206 HydrophobicContact CD1-CG 4.15Å; L106-Y206 HydrophobicContact CD2-CD1 4.19Å; L106-Y206 HydrophobicContact CD2-CD2 4.34Å; L106-Y206 HydrophobicContact CD2-CG 4.09Å; L106-Y206 HydrophobicContact CG-CG 4.44Å
107Q91Very high92.9Very high26 Ų2655.4 Ų55.412%0.12127%0.272CS..Hα-helixtrans-59.8-49.3179.9-69.5172-13.600112V55 E103 H104 K105 M110 E111V55-Q107 HydrophobicContact CG1-CB 4.35Å; V55-Q107 HydrophobicContact CG1-CG 4.49Å; V55-Q107 WeakPolarHBondContact O-CG 3.41Å; E103-Q107 VanDerWaalsContact O-CG 3.3Å; E103-Q107 WeakPolarHBondContact O-CG 3.33Å; E103-Q107 PolarHBondContact O-N 2.88Å; H104-Q107 PolarHBondContact ND1-OE1 3.29Å; K105-Q107 VanDerWaalsContact C-N 3.29Å; K105-Q107 PolarHBondContact O-N 3.01Å; Q107-M110 PolarHBondContact O-N 3.42Å; Q107-E111 VanDerWaalsContact O-CB 3.27Å; Q107-E111 WeakPolarHBondContact O-CB 3.49Å; Q107-E111 PolarHBondContact O-N 3.38Å
108R91.6Very high93.1Very high158 Ų15850 Ų5060%0.59625%0.246SC*.Hα-helixtrans-62.7-43.9179-75.4-175.8-66.1160.9-2.4112.7H104 K105 T112H104-R108 WeakPolarHBondContact O-CG 3.45Å; H104-R108 PolarHBondContact O-N 3.47Å; H104-R108 PolarHBondContact O-NE 3.39Å; K105-R108 PolarHBondContact O-N 2.95Å; R108-T112 VanDerWaalsContact O-CB 3.3Å; R108-T112 WeakPolarHBondContact O-CB 3.31Å; R108-T112 PolarHBondContact O-N 3.3Å; R108-T112 PolarHBondContact O-OG1 3.05Å
109D94.3Very high93.2Very high46 Ų4651.7 Ų51.725%0.24625%0.247CC..Hα-helixtrans-67.8-42.6-178.7-72.5-13.7000110.5K105 L106 T112 K113 I202K105-D109 VanDerWaalsContact CE-OD2 3.29Å; K105-D109 WeakPolarHBondContact CE-OD2 3.24Å; K105-D109 WeakPolarHBondContact O-CB 3.31Å; K105-D109 PolarHBondContact O-N 3.41Å; L106-D109 PolarHBondContact O-N 2.92Å; D109-T112 PolarHBondContact O-N 2.92Å; D109-K113 VanDerWaalsContact O-CB 3.3Å; D109-K113 WeakPolarHBondContact O-CB 3.16Å; D109-K113 PolarHBondContact O-N 3.39Å; D109-I202 HydrophobicContact CB-CD1 3.98Å; D109-I202 HydrophobicContact CB-CG1 4.07Å; D109-I202 HydrophobicContact CB-CG2 4.02Å
110M94.3Very high93.3Very high6 Ų654.1 Ų54.13%0.0326%0.26CS..Hα-helixtrans-63.3-45.5176.6-168.773.377.400111.6M51 V55 L106 Q107 V114 L115 A199 I202 L203M51-M110 HydrophobicContact CE-CE 4.17Å; M51-M110 HydrophobicContact CE-CG 4Å; M51-M110 HydrophobicContact CE-SD 3.77Å; V55-M110 HydrophobicContact CG1-CB 3.92Å; V55-M110 HydrophobicContact CG1-CG 4.02Å; V55-M110 HydrophobicContact CG2-CB 4.4Å; V55-M110 HydrophobicContact CG2-CG 3.64Å; L106-M110 WeakPolarHBondContact O-CB 3.49Å; L106-M110 PolarHBondContact O-N 2.97Å; Q107-M110 PolarHBondContact O-N 3.42Å; M110-V114 WeakPolarHBondContact O-CA 3.42Å; M110-V114 VanDerWaalsContact O-CB 3.24Å; M110-V114 WeakPolarHBondContact O-CB 3.4Å; M110-V114 PolarHBondContact O-N 3.44Å; M110-V114 HydrophobicContact SD-CB 4.16Å; M110-V114 HydrophobicContact SD-CG2 3.8Å; M110-L115 PolarHBondContact O-N 3.39Å; M110-L115 VanDerWaalsContact O-N 3.1Å; M110-A199 HydrophobicContact CE-CB 4.26Å; M110-A199 HydrophobicContact SD-CB 3.68Å; M110-I202 HydrophobicContact CE-CG2 4.44Å; M110-L203 HydrophobicContact CE-CD1 4.27Å; M110-L203 HydrophobicContact CE-CD2 4.25Å; M110-L203 HydrophobicContact CE-CG 3.96Å
111E92.8Very high93.5Very high64 Ų6454 Ų5430%0.29926%0.259SS..Iπ-helixtrans-61.3-46176.5178.861.2-162.100111.4Q107 L115 K116 R119Q107-E111 VanDerWaalsContact O-CB 3.27Å; Q107-E111 WeakPolarHBondContact O-CB 3.49Å; Q107-E111 PolarHBondContact O-N 3.38Å; E111-L115 PolarHBondContact O-N 3.05Å; E111-L115 WeakPolarHBondContact OE2-CD1 3.47Å; E111-K116 VanDerWaalsContact O-CB 3.28Å; E111-K116 WeakPolarHBondContact O-CB 3.48Å; E111-K116 PolarHBondContact O-N 3.19Å; E111-R119 VanDerWaalsContact CD-NH1 3.32Å; E111-R119 IonicContact OE1-CZ 3.99Å; E111-R119 IonicContact OE1-NH1 2.67Å; E111-R119 PolarHBondContact OE1-NH1 3.15Å; E111-R119 IonicContact OE1-NH2 2.77Å; E111-R119 IonicContact OE2-CZ 3.57Å; E111-R119 IonicContact OE2-NH1 3.98Å; E111-R119 PolarHBondContact OE2-NH1 2.9Å; E111-R119 IonicContact OE2-NH2 3.18Å; E111-R119 PolarHBondContact OE2-NH2 3.34Å
112T93.3Very high93.8Very high91 Ų9150.8 Ų50.856%0.55824%0.238SC*.Iπ-helixtrans-75.2-42-174.2-54.30000113.1R108 D109 P117R108-T112 VanDerWaalsContact O-CB 3.3Å; R108-T112 WeakPolarHBondContact O-CB 3.31Å; R108-T112 PolarHBondContact O-N 3.3Å; R108-T112 PolarHBondContact O-OG1 3.05Å; D109-T112 PolarHBondContact O-N 2.92Å; T112-P117 VanDerWaalsContact O-CD 3.31Å; T112-P117 WeakPolarHBondContact O-CD 3.25Å
113K94.7Very high93.9Very high104 Ų10456.2 Ų56.245%0.45226%0.262SS..Iπ-helixtrans-92-26.6-172.8-65.3-179.7172.3-174.50113.4D109 I202D109-K113 VanDerWaalsContact O-CB 3.3Å; D109-K113 WeakPolarHBondContact O-CB 3.16Å; D109-K113 PolarHBondContact O-N 3.39Å; K113-I202 HydrophobicContact CB-CD1 4.23Å; K113-I202 HydrophobicContact CD-CD1 3.94Å
114V94.7Very high94.2Very high0 Ų058.8 Ų58.80%028%0.277CS..Iπ-helixtrans-114.3-57.6-170.7-170.40000110.9F47 M110 S118 R195 A199 I202F47-V114 HydrophobicContact CE1-CG1 4.02Å; F47-V114 HydrophobicContact CZ-CG1 3.87Å; M110-V114 WeakPolarHBondContact O-CA 3.42Å; M110-V114 VanDerWaalsContact O-CB 3.24Å; M110-V114 WeakPolarHBondContact O-CB 3.4Å; M110-V114 PolarHBondContact O-N 3.44Å; M110-V114 HydrophobicContact SD-CB 4.16Å; M110-V114 HydrophobicContact SD-CG2 3.8Å; V114-S118 VanDerWaalsContact O-CB 3.29Å; V114-S118 WeakPolarHBondContact O-CB 3.3Å; V114-S118 PolarHBondContact O-N 3.41Å; V114-S118 PolarHBondContact O-OG 3.01Å; V114-R195 HydrophobicContact CG1-CB 4.46Å; V114-A199 HydrophobicContact CG1-CB 4.22Å; V114-A199 HydrophobicContact CG2-CB 3.77Å; V114-I202 HydrophobicContact CG2-CD1 4.33Å
115L93.9Very high94.5Very high0 Ų058.2 Ų58.20%028%0.275CS..Iπ-helixtrans-76.7-49.6-170.6-58.8-178.8000112.6F47 M51 V55 M110 E111 S118 R119F47-L115 HydrophobicContact CE1-CD2 4.11Å; M51-L115 HydrophobicContact CB-CD1 4.25Å; M51-L115 HydrophobicContact CB-CD2 3.44Å; M51-L115 VanDerWaalsContact CB-CD2 3.44Å; M51-L115 HydrophobicContact CB-CG 4.47Å; M51-L115 HydrophobicContact CG-CD2 4.15Å; V55-L115 HydrophobicContact CB-CD1 4.18Å; V55-L115 HydrophobicContact CG1-CD1 4.34Å; V55-L115 HydrophobicContact CG2-CD1 4.3Å; M110-L115 PolarHBondContact O-N 3.39Å; M110-L115 VanDerWaalsContact O-N 3.1Å; E111-L115 PolarHBondContact O-N 3.05Å; E111-L115 WeakPolarHBondContact OE2-CD1 3.47Å; L115-S118 CarbonylContact O-C 3.58Å; L115-S118 WeakPolarHBondContact O-CB 3.47Å; L115-S118 PolarHBondContact O-N 2.94Å; L115-S118 VanDerWaalsContact O-N 3.08Å; L115-R119 WeakPolarHBondContact O-CG 3.38Å; L115-R119 PolarHBondContact O-N 2.7Å
116K94.1Very high94.7Very high116 Ų11653.5 Ų53.550%0.50425%0.254SS..Hα-helixtrans-57-51.5179.9176.9177.7-178.9-179.30112.4E111 S118 R119 D120E111-K116 VanDerWaalsContact O-CB 3.28Å; E111-K116 WeakPolarHBondContact O-CB 3.48Å; E111-K116 PolarHBondContact O-N 3.19Å; K116-S118 PolarHBondContact O-N 3.36Å; K116-R119 PolarHBondContact O-N 3.26Å; K116-R119 VanDerWaalsContact O-N 3.1Å; K116-D120 PolarHBondContact O-N 2.88Å
117P95.7Very high94.9Very high32 Ų3258.8 Ų58.821%0.20828%0.275CS..Hα-helixtrans-62.5-27.9176.8-24.936.5000113.9T112 F121 R195T112-P117 VanDerWaalsContact O-CD 3.31Å; T112-P117 WeakPolarHBondContact O-CD 3.25Å; P117-F121 PolarHBondContact O-N 3.34Å; P117-R195 VanDerWaalsContact C-NH1 3.34Å; P117-R195 PolarHBondContact O-NH1 2.86Å
118S95.5Very high95.2Very high0 Ų061.7 Ų61.70%029%0.289CS..Hα-helixtrans-76-35.9176.2-60.70000112C48 V114 L115 K116 L122C48-S118 VanDerWaalsContact SG-CB 3.51Å; V114-S118 VanDerWaalsContact O-CB 3.29Å; V114-S118 WeakPolarHBondContact O-CB 3.3Å; V114-S118 PolarHBondContact O-N 3.41Å; V114-S118 PolarHBondContact O-OG 3.01Å; L115-S118 CarbonylContact O-C 3.58Å; L115-S118 WeakPolarHBondContact O-CB 3.47Å; L115-S118 PolarHBondContact O-N 2.94Å; L115-S118 VanDerWaalsContact O-N 3.08Å; K116-S118 PolarHBondContact O-N 3.36Å; S118-L122 WeakPolarHBondContact O-CG 3.39Å; S118-L122 PolarHBondContact O-N 2.89Å
119R95.4Very high95.5Very high62 Ų6254.2 Ų54.223%0.23426%0.261CS..Hα-helixtrans-70.3-41171.4-66.7-175.2-163.6125.21.8111.5T52 E111 L115 K116 F121 L122 E123T52-R119 PolarHBondContact OG1-NH2 3.29Å; E111-R119 VanDerWaalsContact CD-NH1 3.32Å; E111-R119 IonicContact OE1-CZ 3.99Å; E111-R119 IonicContact OE1-NH1 2.67Å; E111-R119 PolarHBondContact OE1-NH1 3.15Å; E111-R119 IonicContact OE1-NH2 2.77Å; E111-R119 IonicContact OE2-CZ 3.57Å; E111-R119 IonicContact OE2-NH1 3.98Å; E111-R119 PolarHBondContact OE2-NH1 2.9Å; E111-R119 IonicContact OE2-NH2 3.18Å; E111-R119 PolarHBondContact OE2-NH2 3.34Å; L115-R119 WeakPolarHBondContact O-CG 3.38Å; L115-R119 PolarHBondContact O-N 2.7Å; K116-R119 PolarHBondContact O-N 3.26Å; K116-R119 VanDerWaalsContact O-N 3.1Å; R119-F121 PolarHBondContact O-N 3.18Å; R119-L122 WeakPolarHBondContact O-CA 3.39Å; R119-L122 WeakPolarHBondContact O-CB 3.27Å; R119-L122 PolarHBondContact O-N 3.01Å; R119-E123 WeakPolarHBondContact O-CG 3.28Å; R119-E123 PolarHBondContact O-N 2.82Å
120D96.2Very high95.6Very high64 Ų6455 Ų5534%0.34226%0.262SS..Hα-helixtrans-56.6-41174.6-66.7-18.4000110.7K116 L122 E123 N124K116-D120 PolarHBondContact O-N 2.88Å; D120-L122 PolarHBondContact O-N 3.08Å; D120-E123 PolarHBondContact O-N 3.36Å; D120-N124 WeakPolarHBondContact O-CB 3.49Å; D120-N124 PolarHBondContact O-N 3.19Å; D120-N124 PolarHBondContact O-ND2 2.83Å
121F96.9Very high95.7Very high7 Ų757.5 Ų57.53%0.03128%0.278CS..Hα-helixtrans-59.6-43.7172.6173.2-86.9000113F37 F40 L44 P117 R119 E123 E125 W126 Y188F37-F121 AromaticContact CE1-CZ 3.9Å; F37-F121 HydrophobicContact CE1-CZ 3.9Å; F37-F121 HydrophobicContact CZ-CE2 4.5Å; F37-F121 HydrophobicContact CZ-CZ 4.19Å; F40-F121 AromaticContact CD1-CE1 3.96Å; F40-F121 HydrophobicContact CD1-CE1 3.96Å; F40-F121 AromaticContact CD1-CZ 3.72Å; F40-F121 HydrophobicContact CD1-CZ 3.72Å; F40-F121 HydrophobicContact CE1-CD1 4.4Å; F40-F121 AromaticContact CE1-CE1 3.7Å; F40-F121 HydrophobicContact CE1-CE1 3.7Å; F40-F121 AromaticContact CE1-CE2 4Å; F40-F121 HydrophobicContact CE1-CE2 4Å; F40-F121 AromaticContact CE1-CZ 3.47Å; F40-F121 HydrophobicContact CE1-CZ 3.47Å; F40-F121 VanDerWaalsContact CE1-CZ 3.47Å; L44-F121 HydrophobicContact CD2-CB 4.26Å; L44-F121 HydrophobicContact CD2-CD1 3.31Å; L44-F121 HydrophobicContact CD2-CE1 3.87Å; L44-F121 HydrophobicContact CD2-CG 3.97Å; P117-F121 PolarHBondContact O-N 3.34Å; R119-F121 PolarHBondContact O-N 3.18Å; F121-E123 VanDerWaalsContact C-N 3.34Å; F121-E125 VanDerWaalsContact CA-OE2 3.25Å; F121-E125 WeakPolarHBondContact CA-OE2 3.5Å; F121-E125 HydrophobicContact CD2-CB 3.6Å; F121-E125 HydrophobicContact CD2-CG 3.94Å; F121-E125 HydrophobicContact CE2-CB 3.54Å; F121-E125 HydrophobicContact CE2-CG 4.15Å; F121-E125 HydrophobicContact CG-CB 4.34Å; F121-E125 HydrophobicContact CZ-CB 4.27Å; F121-E125 PolarHBondContact O-N 3.15Å; F121-E125 VanDerWaalsContact O-N 3.14Å; F121-W126 HydrophobicContact CD1-CB 4.42Å; F121-W126 HydrophobicContact CE1-CB 4.07Å; F121-W126 PolarHBondContact O-N 2.91Å; F121-Y188 HydrophobicContact CD2-CD1 4.09Å; F121-Y188 HydrophobicContact CD2-CD2 4.5Å; F121-Y188 HydrophobicContact CD2-CG 4.07Å; F121-Y188 AromaticContact CE2-CD1 3.97Å; F121-Y188 HydrophobicContact CE2-CD1 3.97Å; F121-Y188 AromaticContact CE2-CD2 3.6Å; F121-Y188 HydrophobicContact CE2-CD2 3.6Å; F121-Y188 HydrophobicContact CE2-CE1 4.47Å; F121-Y188 HydrophobicContact CE2-CE2 4.14Å; F121-Y188 AromaticContact CE2-CG 3.5Å; F121-Y188 HydrophobicContact CE2-CG 3.5Å; F121-Y188 HydrophobicContact CZ-CD2 4.41Å
122L96.5Very high95.9Very high27 Ų2755.1 Ų55.114%0.14127%0.269CS..Hα-helixtrans-69.3-33.2-178.5-69.1170.4000112.3G41 L44 R45 C48 S118 R119 D120 W126G41-L122 WeakPolarHBondContact O-CD2 3.25Å; L44-L122 HydrophobicContact CB-CD2 4.4Å; L44-L122 HydrophobicContact CD2-CD2 4.46Å; L44-L122 HydrophobicContact CD2-CG 4.41Å; L44-L122 HydrophobicContact CG-CD1 4.49Å; L44-L122 HydrophobicContact CG-CD2 4.47Å; L44-L122 HydrophobicContact CG-CG 4.42Å; R45-L122 HydrophobicContact CB-CD1 4.15Å; R45-L122 HydrophobicContact CB-CD2 4.34Å; R45-L122 HydrophobicContact CG-CD1 4.46Å; C48-L122 HydrophobicContact CB-CD1 4.49Å; S118-L122 WeakPolarHBondContact O-CG 3.39Å; S118-L122 PolarHBondContact O-N 2.89Å; R119-L122 WeakPolarHBondContact O-CA 3.39Å; R119-L122 WeakPolarHBondContact O-CB 3.27Å; R119-L122 PolarHBondContact O-N 3.01Å; D120-L122 PolarHBondContact O-N 3.08Å; L122-W126 HydrophobicContact CD2-CB 4.34Å; L122-W126 HydrophobicContact CD2-CG 4.22Å
123E95.9Very high96Very high125 Ų12552.9 Ų52.958%0.58425%0.252SS*.Hα-helixtrans-78.3-33.3-179.9-71.8-177.2-175.300112.9R119 D120 F121 K127R119-E123 WeakPolarHBondContact O-CG 3.28Å; R119-E123 PolarHBondContact O-N 2.82Å; D120-E123 PolarHBondContact O-N 3.36Å; F121-E123 VanDerWaalsContact C-N 3.34Å; E123-K127 VanDerWaalsContact O-CB 3.3Å; E123-K127 WeakPolarHBondContact O-CB 3.4Å; E123-K127 WeakPolarHBondContact O-CD 3.42Å
124N96.5Very high96.1Very high96 Ų9655.3 Ų55.351%0.51326%0.258SS..THydrogen-bonded Turntrans-104.6-78.9-174.4-58.6-59000111.6D120 W126 K127 E128D120-N124 WeakPolarHBondContact O-CB 3.49Å; D120-N124 PolarHBondContact O-N 3.19Å; D120-N124 PolarHBondContact O-ND2 2.83Å; N124-W126 PolarHBondContact O-N 2.99Å; N124-K127 WeakPolarHBondContact O-CB 3.31Å; N124-K127 PolarHBondContact O-N 3.1Å; N124-K127 VanDerWaalsContact O-N 3.17Å; N124-E128 PolarHBondContact O-N 2.94Å
125E96.5Very high96.1Very high53 Ų5357.7 Ų57.725%0.24827%0.271CS..Hα-helixtrans-61.8-43.5-171.5-71.678.9175.700112.8F121 K127 E128 F129 Y188F121-E125 VanDerWaalsContact CA-OE2 3.25Å; F121-E125 WeakPolarHBondContact CA-OE2 3.5Å; F121-E125 HydrophobicContact CD2-CB 3.6Å; F121-E125 HydrophobicContact CD2-CG 3.94Å; F121-E125 HydrophobicContact CE2-CB 3.54Å; F121-E125 HydrophobicContact CE2-CG 4.15Å; F121-E125 HydrophobicContact CG-CB 4.34Å; F121-E125 HydrophobicContact CZ-CB 4.27Å; F121-E125 PolarHBondContact O-N 3.15Å; F121-E125 VanDerWaalsContact O-N 3.14Å; E125-K127 VanDerWaalsContact C-N 3.32Å; E125-K127 PolarHBondContact O-N 3.38Å; E125-E128 WeakPolarHBondContact O-CB 3.46Å; E125-E128 PolarHBondContact O-N 3.2Å; E125-F129 WeakPolarHBondContact O-CB 3.28Å; E125-F129 PolarHBondContact O-N 3.38Å; E125-Y188 HydrophobicContact CB-CE2 4.33Å; E125-Y188 HydrophobicContact CG-CE1 3.67Å; E125-Y188 HydrophobicContact CG-CE2 4.08Å; E125-Y188 VanDerWaalsContact CG-CZ 3.42Å; E125-Y188 WeakPolarHBondContact CG-OH 3.36Å
126W96.7Very high96.1Very high18 Ų1857.9 Ų57.97%0.06827%0.272CS..Hα-helixtrans-66.1-37.2178174.4-113.6000112.1F37 E38 F121 L122 N124 F129 K130F37-W126 AromaticContact CD1-CE3 3.92Å; F37-W126 HydrophobicContact CD1-CE3 3.92Å; F37-W126 AromaticContact CD1-CZ3 3.96Å; F37-W126 HydrophobicContact CD1-CZ3 3.96Å; F37-W126 HydrophobicContact CE1-CE3 4.06Å; F37-W126 VanDerWaalsContact O-CZ3 3.31Å; F37-W126 WeakPolarHBondContact O-CZ3 3.44Å; E38-W126 HydrophobicContact CB-CH2 4.29Å; E38-W126 HydrophobicContact CG-CH2 4.19Å; F121-W126 HydrophobicContact CD1-CB 4.42Å; F121-W126 HydrophobicContact CE1-CB 4.07Å; F121-W126 PolarHBondContact O-N 2.91Å; L122-W126 HydrophobicContact CD2-CB 4.34Å; L122-W126 HydrophobicContact CD2-CG 4.22Å; N124-W126 PolarHBondContact O-N 2.99Å; W126-F129 HydrophobicContact CD2-CD1 4.49Å; W126-F129 AromaticContact CE3-CD1 3.65Å; W126-F129 HydrophobicContact CE3-CD1 3.65Å; W126-F129 HydrophobicContact CE3-CE1 4.26Å; W126-F129 HydrophobicContact CE3-CG 4.48Å; W126-F129 HydrophobicContact CH2-CD1 4.11Å; W126-F129 AromaticContact CH2-CE1 3.97Å; W126-F129 HydrophobicContact CH2-CE1 3.97Å; W126-F129 AromaticContact CZ3-CD1 3.4Å; W126-F129 HydrophobicContact CZ3-CD1 3.4Å; W126-F129 VanDerWaalsContact CZ3-CD1 3.4Å; W126-F129 AromaticContact CZ3-CE1 3.54Å; W126-F129 HydrophobicContact CZ3-CE1 3.54Å; W126-F129 HydrophobicContact CZ3-CG 4.49Å; W126-F129 PolarHBondContact O-N 3.01Å; W126-K130 HydrophobicContact CD2-CG 4.48Å; W126-K130 HydrophobicContact CH2-CD 4.39Å; W126-K130 HydrophobicContact CZ2-CD 4.19Å; W126-K130 HydrophobicContact CZ2-CG 4.11Å; W126-K130 PolarHBondContact O-N 3.04Å
127K95.9Very high96Very high139 Ų13954.8 Ų54.860%0.60427%0.268SS*.Hα-helixtrans-70.6-38176.1-172.4-179.5179-178.40111.7E123 N124 E125 K130 T131E123-K127 VanDerWaalsContact O-CB 3.3Å; E123-K127 WeakPolarHBondContact O-CB 3.4Å; E123-K127 WeakPolarHBondContact O-CD 3.42Å; N124-K127 WeakPolarHBondContact O-CB 3.31Å; N124-K127 PolarHBondContact O-N 3.1Å; N124-K127 VanDerWaalsContact O-N 3.17Å; E125-K127 VanDerWaalsContact C-N 3.32Å; E125-K127 PolarHBondContact O-N 3.38Å; K127-K130 PolarHBondContact O-N 3.26Å; K127-T131 WeakPolarHBondContact O-CB 3.44Å; K127-T131 PolarHBondContact O-N 3.03Å; K127-T131 PolarHBondContact O-OG1 3.31Å
128E97.1Very high95.9Very high88 Ų8856 Ų5641%0.41127%0.273SS..Hα-helixtrans-58.9-50.5171.7-171.3-171.617900109.9N124 E125 K130 T131 A132 I181N124-E128 PolarHBondContact O-N 2.94Å; E125-E128 WeakPolarHBondContact O-CB 3.46Å; E125-E128 PolarHBondContact O-N 3.2Å; E128-K130 PolarHBondContact O-N 2.69Å; E128-T131 PolarHBondContact O-N 2.93Å; E128-T131 VanDerWaalsContact O-N 3.15Å; E128-A132 WeakPolarHBondContact O-CB 3.46Å; E128-A132 PolarHBondContact O-N 3.32Å; E128-I181 HydrophobicContact CG-CD1 3.81Å; E128-I181 HydrophobicContact CG-CG1 4.3Å
129F97.6Very high95.7Very high0 Ų056.4 Ų56.40%028%0.276CS..Hα-helixtrans-54.8-51.4174.6167.5-101.1000112.1Q34 F37 E38 E125 W126 T131 A132 E133 F178 I181 V182Q34-F129 HydrophobicContact CG-CE2 4.35Å; Q34-F129 HydrophobicContact CG-CZ 4.01Å; F37-F129 HydrophobicContact CB-CD2 4.2Å; F37-F129 HydrophobicContact CB-CE1 4.46Å; F37-F129 HydrophobicContact CB-CE2 3.84Å; F37-F129 HydrophobicContact CB-CZ 3.99Å; F37-F129 HydrophobicContact CD1-CB 4.01Å; F37-F129 AromaticContact CD1-CD1 3.77Å; F37-F129 HydrophobicContact CD1-CD1 3.77Å; F37-F129 AromaticContact CD1-CD2 3.8Å; F37-F129 HydrophobicContact CD1-CD2 3.8Å; F37-F129 HydrophobicContact CD1-CE1 4.21Å; F37-F129 HydrophobicContact CD1-CE2 4.23Å; F37-F129 AromaticContact CD1-CG 3.55Å; F37-F129 HydrophobicContact CD1-CG 3.55Å; F37-F129 HydrophobicContact CD1-CZ 4.43Å; F37-F129 HydrophobicContact CD2-CD2 4.19Å; F37-F129 HydrophobicContact CE1-CB 3.67Å; F37-F129 HydrophobicContact CE1-CD1 4.23Å; F37-F129 HydrophobicContact CE1-CD2 4.22Å; F37-F129 AromaticContact CE1-CG 3.76Å; F37-F129 HydrophobicContact CE1-CG 3.76Å; F37-F129 HydrophobicContact CG-CD1 4.45Å; F37-F129 AromaticContact CG-CD2 3.79Å; F37-F129 HydrophobicContact CG-CD2 3.79Å; F37-F129 AromaticContact CG-CE2 3.96Å; F37-F129 HydrophobicContact CG-CE2 3.96Å; F37-F129 HydrophobicContact CG-CG 4.06Å; F37-F129 HydrophobicContact CG-CZ 4.38Å; F37-F129 HydrophobicContact CZ-CB 4.12Å; F37-F129 HydrophobicContact CZ-CG 4.43Å; E38-F129 HydrophobicContact CG-CE1 3.61Å; E38-F129 HydrophobicContact CG-CZ 3.72Å; E125-F129 WeakPolarHBondContact O-CB 3.28Å; E125-F129 PolarHBondContact O-N 3.38Å; W126-F129 HydrophobicContact CD2-CD1 4.49Å; W126-F129 AromaticContact CE3-CD1 3.65Å; W126-F129 HydrophobicContact CE3-CD1 3.65Å; W126-F129 HydrophobicContact CE3-CE1 4.26Å; W126-F129 HydrophobicContact CE3-CG 4.48Å; W126-F129 HydrophobicContact CH2-CD1 4.11Å; W126-F129 AromaticContact CH2-CE1 3.97Å; W126-F129 HydrophobicContact CH2-CE1 3.97Å; W126-F129 AromaticContact CZ3-CD1 3.4Å; W126-F129 HydrophobicContact CZ3-CD1 3.4Å; W126-F129 VanDerWaalsContact CZ3-CD1 3.4Å; W126-F129 AromaticContact CZ3-CE1 3.54Å; W126-F129 HydrophobicContact CZ3-CE1 3.54Å; W126-F129 HydrophobicContact CZ3-CG 4.49Å; W126-F129 PolarHBondContact O-N 3.01Å; F129-T131 VanDerWaalsContact C-N 3.25Å; F129-T131 PolarHBondContact O-N 3.44Å; F129-A132 PolarHBondContact O-N 2.88Å; F129-E133 VanDerWaalsContact O-CB 3.31Å; F129-E133 WeakPolarHBondContact O-CB 3.33Å; F129-E133 PolarHBondContact O-N 3.41Å; F129-F178 HydrophobicContact CD2-CE2 4.04Å; F129-F178 AromaticContact CE2-CE2 3.63Å; F129-F178 HydrophobicContact CE2-CE2 3.63Å; F129-F178 AromaticContact CE2-CZ 3.84Å; F129-F178 HydrophobicContact CE2-CZ 3.84Å; F129-F178 HydrophobicContact CZ-CE2 4.49Å; F129-I181 HydrophobicContact CB-CG2 4Å; F129-I181 HydrophobicContact CD2-CG2 4.38Å; F129-V182 HydrophobicContact CD2-CG1 3.99Å; F129-V182 HydrophobicContact CE2-CG1 3.78Å
130K97.4Very high95.5Very high63 Ų6354.1 Ų54.127%0.27427%0.269SS..Hα-helixtrans-62.2-32178.8-79.5-48.9-152.9-1720113.7E38 W126 K127 E128 E133 R134E38-K130 IonicContact OE1-NZ 2.62Å; W126-K130 HydrophobicContact CD2-CG 4.48Å; W126-K130 HydrophobicContact CH2-CD 4.39Å; W126-K130 HydrophobicContact CZ2-CD 4.19Å; W126-K130 HydrophobicContact CZ2-CG 4.11Å; W126-K130 PolarHBondContact O-N 3.04Å; K127-K130 PolarHBondContact O-N 3.26Å; E128-K130 PolarHBondContact O-N 2.69Å; K130-E133 WeakPolarHBondContact CD-OE2 3.11Å; K130-E133 IonicContact NZ-OE2 2.77Å; K130-E133 PolarHBondContact NZ-OE2 2.94Å; K130-R134 WeakPolarHBondContact O-CB 3.36Å; K130-R134 PolarHBondContact O-N 3.5Å
131T97.3Very high95.1Very high59 Ų5951.8 Ų51.836%0.36226%0.256SS..Hα-helixtrans-72.8-46.6176.6-57.20000110.6K127 E128 F129 E133 R134 D135K127-T131 WeakPolarHBondContact O-CB 3.44Å; K127-T131 PolarHBondContact O-N 3.03Å; K127-T131 PolarHBondContact O-OG1 3.31Å; E128-T131 PolarHBondContact O-N 2.93Å; E128-T131 VanDerWaalsContact O-N 3.15Å; F129-T131 VanDerWaalsContact C-N 3.25Å; F129-T131 PolarHBondContact O-N 3.44Å; T131-E133 VanDerWaalsContact C-N 3.34Å; T131-E133 PolarHBondContact O-N 3.38Å; T131-R134 PolarHBondContact O-N 2.89Å; T131-D135 WeakPolarHBondContact O-CB 3.35Å; T131-D135 PolarHBondContact O-N 2.94Å
132A96.7Very high94.8Very high13 Ų1354.2 Ų54.211%0.10727%0.268CS..Hα-helixtrans-63-40.3176.900000112.3E128 F129 R134 D135 L136 F178 I181E128-A132 WeakPolarHBondContact O-CB 3.46Å; E128-A132 PolarHBondContact O-N 3.32Å; F129-A132 PolarHBondContact O-N 2.88Å; A132-R134 PolarHBondContact O-N 3.15Å; A132-D135 PolarHBondContact O-N 2.83Å; A132-L136 WeakPolarHBondContact O-CB 3.48Å; A132-L136 PolarHBondContact O-N 3.49Å; A132-F178 HydrophobicContact CB-CD2 4Å; A132-I181 HydrophobicContact CB-CD1 3.38Å
133E95.7Very high94.4Very high45 Ų4553.1 Ų53.121%0.2126%0.262CS..Hα-helixtrans-57.3-49.2174-168.7-158.8168.400111Q34 E38 F129 K130 T131 L136 A137 F178Q34-E133 PolarHBondContact NE2-OE1 2.9Å; E38-E133 VanDerWaalsContact OE1-OE1 3.06Å; F129-E133 VanDerWaalsContact O-CB 3.31Å; F129-E133 WeakPolarHBondContact O-CB 3.33Å; F129-E133 PolarHBondContact O-N 3.41Å; K130-E133 WeakPolarHBondContact CD-OE2 3.11Å; K130-E133 IonicContact NZ-OE2 2.77Å; K130-E133 PolarHBondContact NZ-OE2 2.94Å; T131-E133 VanDerWaalsContact C-N 3.34Å; T131-E133 PolarHBondContact O-N 3.38Å; E133-L136 PolarHBondContact O-N 3.1Å; E133-A137 WeakPolarHBondContact O-CB 3.48Å; E133-A137 PolarHBondContact O-N 3.45Å; E133-F178 HydrophobicContact CB-CE2 3.98Å; E133-F178 HydrophobicContact CG-CE2 4.34Å
134R95.6Very high94Very high155 Ų15547.2 Ų47.259%0.58524%0.235SC*.Hα-helixtrans-63.9-43.1178.3-173.3-173.5-62.3138.10.8111.9K130 T131 A132 A137 N138K130-R134 WeakPolarHBondContact O-CB 3.36Å; K130-R134 PolarHBondContact O-N 3.5Å; T131-R134 PolarHBondContact O-N 2.89Å; A132-R134 PolarHBondContact O-N 3.15Å; R134-A137 PolarHBondContact O-N 2.93Å; R134-N138 VanDerWaalsContact O-CG 3.29Å; R134-N138 PolarHBondContact O-N 2.96Å; R134-N138 PolarHBondContact O-ND2 3.4Å
135D95.4Very high93.4Very high49 Ų4942.9 Ų42.926%0.26221%0.212SC..Hα-helixtrans-63.3-42.1178.7-82.21.6000111.5T131 A132 N138 A139 R174T131-D135 WeakPolarHBondContact O-CB 3.35Å; T131-D135 PolarHBondContact O-N 2.94Å; A132-D135 PolarHBondContact O-N 2.83Å; D135-N138 PolarHBondContact O-N 3.23Å; D135-A139 WeakPolarHBondContact O-CB 3.29Å; D135-A139 PolarHBondContact O-N 3.44Å; D135-R174 IonicContact OD2-CZ 3.94Å; D135-R174 IonicContact OD2-NH1 3.82Å; D135-R174 PolarHBondContact OD2-NH1 3.33Å; D135-R174 IonicContact OD2-NH2 3.43Å
136L94.1Very high92.9Very high5 Ų543.4 Ų43.43%0.02621%0.212CC..Hα-helixtrans-65.5-42.6175.2-179.658.5000111.6L26 A132 E133 N138 A139 T140 Y171 R174 L175 F178L26-L136 HydrophobicContact CD1-CD2 4.24Å; L26-L136 HydrophobicContact CD2-CD2 3.97Å; A132-L136 WeakPolarHBondContact O-CB 3.48Å; A132-L136 PolarHBondContact O-N 3.49Å; E133-L136 PolarHBondContact O-N 3.1Å; L136-N138 VanDerWaalsContact C-N 3.35Å; L136-N138 PolarHBondContact O-N 2.62Å; L136-A139 PolarHBondContact O-N 2.77Å; L136-T140 WeakPolarHBondContact O-CB 3.3Å; L136-T140 PolarHBondContact O-N 2.9Å; L136-T140 PolarHBondContact O-OG1 3.06Å; L136-Y171 HydrophobicContact CD1-CD2 4.04Å; L136-Y171 HydrophobicContact CD1-CE2 3.7Å; L136-R174 HydrophobicContact CD1-CB 4.36Å; L136-L175 HydrophobicContact CD1-CB 4Å; L136-L175 HydrophobicContact CD1-CD1 4.22Å; L136-L175 HydrophobicContact CD2-CD1 4.06Å; L136-F178 HydrophobicContact CD2-CB 3.88Å; L136-F178 HydrophobicContact CD2-CD1 3.57Å; L136-F178 HydrophobicContact CD2-CD2 4.24Å; L136-F178 HydrophobicContact CD2-CE1 4.14Å; L136-F178 HydrophobicContact CD2-CG 3.62Å
137A91.9Very high92.2Very high50 Ų5046 Ų4641%0.41322%0.224SC..Hα-helixtrans-61.7-41.7176.100000112.1E133 R134 T140 L141E133-A137 WeakPolarHBondContact O-CB 3.48Å; E133-A137 PolarHBondContact O-N 3.45Å; R134-A137 PolarHBondContact O-N 2.93Å; A137-T140 WeakPolarHBondContact O-CB 3.24Å; A137-T140 PolarHBondContact O-N 3.17Å; A137-L141 WeakPolarHBondContact O-CG 3.47Å; A137-L141 PolarHBondContact O-N 3.07Å
138N92.3Very high91.6Very high58 Ų5840.1 Ų40.131%0.3120%0.2SC..Hα-helixtrans-65.4-44.7175.2-72.2-30.2000111.8R134 D135 L136 T140 L141 E142R134-N138 VanDerWaalsContact O-CG 3.29Å; R134-N138 PolarHBondContact O-N 2.96Å; R134-N138 PolarHBondContact O-ND2 3.4Å; D135-N138 PolarHBondContact O-N 3.23Å; L136-N138 VanDerWaalsContact C-N 3.35Å; L136-N138 PolarHBondContact O-N 2.62Å; N138-T140 VanDerWaalsContact C-N 3.27Å; N138-T140 PolarHBondContact O-N 2.86Å; N138-L141 PolarHBondContact O-N 3.08Å; N138-E142 PolarHBondContact O-N 3.33Å
139A91.8Very high90.9Very high9 Ų938.9 Ų38.97%0.07419%0.194CC..Hα-helixtrans-62.7-35.9177.200000112.1D135 L136 E142 L143 Y171 R174D135-A139 WeakPolarHBondContact O-CB 3.29Å; D135-A139 PolarHBondContact O-N 3.44Å; L136-A139 PolarHBondContact O-N 2.77Å; A139-E142 PolarHBondContact O-N 3.29Å; A139-L143 WeakPolarHBondContact O-CB 3.41Å; A139-L143 PolarHBondContact O-N 3.29Å; A139-Y171 HydrophobicContact CB-CD2 4.29Å; A139-R174 HydrophobicContact CB-CB 4.32Å; A139-R174 HydrophobicContact CB-CG 4.16Å
140T90.8Very high90Very high14 Ų1440 Ų409%0.08620%0.2CC..Hα-helixtrans-62.5-46.4174.2-56.90000111.3L136 A137 N138 E142 L143 D144 Y171L136-T140 WeakPolarHBondContact O-CB 3.3Å; L136-T140 PolarHBondContact O-N 2.9Å; L136-T140 PolarHBondContact O-OG1 3.06Å; A137-T140 WeakPolarHBondContact O-CB 3.24Å; A137-T140 PolarHBondContact O-N 3.17Å; N138-T140 VanDerWaalsContact C-N 3.27Å; N138-T140 PolarHBondContact O-N 2.86Å; T140-E142 PolarHBondContact O-N 3.41Å; T140-L143 PolarHBondContact O-N 2.67Å; T140-D144 WeakPolarHBondContact O-CB 3.45Å; T140-D144 PolarHBondContact O-N 2.88Å; T140-Y171 WeakPolarHBondContact OG1-CE2 3.44Å
141L89.2Confident89.1Confident14 Ų1442.6 Ų42.67%0.07322%0.221CC..Hα-helixtrans-62.3-41.4177.6-72.9170.8000112.2T12 R13 Y16 A137 N138 S145T12-L141 HydrophobicContact CG2-CD2 4.19Å; R13-L141 HydrophobicContact CG-CD2 4.12Å; Y16-L141 HydrophobicContact CE2-CD2 3.69Å; A137-L141 WeakPolarHBondContact O-CG 3.47Å; A137-L141 PolarHBondContact O-N 3.07Å; N138-L141 PolarHBondContact O-N 3.08Å; L141-S145 WeakPolarHBondContact O-CB 3.45Å; L141-S145 PolarHBondContact O-N 3.47Å; L141-S145 VanDerWaalsContact O-N 3.11Å
142E89Confident88.1Confident58 Ų5846.1 Ų46.127%0.27123%0.231SC..Hα-helixtrans-61.3-47.9174.2-71.9-172.9-176.100110.7N138 A139 T140 S145 Y146 V167 K170N138-E142 PolarHBondContact O-N 3.33Å; A139-E142 PolarHBondContact O-N 3.29Å; T140-E142 PolarHBondContact O-N 3.41Å; E142-S145 WeakPolarHBondContact O-CB 3.45Å; E142-S145 PolarHBondContact O-N 3.36Å; E142-Y146 WeakPolarHBondContact O-CD2 3.3Å; E142-Y146 PolarHBondContact O-N 2.91Å; E142-Y146 VanDerWaalsContact O-N 3.1Å; E142-V167 HydrophobicContact CB-CG1 3.82Å; E142-K170 IonicContact OE2-NZ 3.73Å
143L88.1Confident86.8Confident5 Ų549.6 Ų49.63%0.02625%0.247CC..Hα-helixtrans-58.5-51.8-179.5179.765.5000111.6T24 A139 T140 S145 Y146 K147 Y164 V167 I168 Y171T24-L143 HydrophobicContact CG2-CD2 4.21Å; A139-L143 WeakPolarHBondContact O-CB 3.41Å; A139-L143 PolarHBondContact O-N 3.29Å; T140-L143 PolarHBondContact O-N 2.67Å; L143-S145 PolarHBondContact O-N 3.23Å; L143-Y146 PolarHBondContact O-N 3.42Å; L143-Y146 VanDerWaalsContact O-N 3.14Å; L143-K147 HydrophobicContact CG-CD 4.4Å; L143-K147 WeakPolarHBondContact O-CG 3.35Å; L143-K147 PolarHBondContact O-N 3.31Å; L143-Y164 HydrophobicContact CD1-CD2 4.1Å; L143-Y164 HydrophobicContact CD1-CE2 3.53Å; L143-V167 VanDerWaalsContact CA-CG1 3.47Å; L143-V167 HydrophobicContact CB-CG1 3.98Å; L143-V167 HydrophobicContact CD1-CG1 4.3Å; L143-I168 HydrophobicContact CD1-CB 4.41Å; L143-I168 HydrophobicContact CD1-CG1 3.5Å; L143-Y171 HydrophobicContact CD2-CD1 3.91Å; L143-Y171 HydrophobicContact CD2-CD2 4.19Å; L143-Y171 HydrophobicContact CD2-CE1 4.32Å; L143-Y171 HydrophobicContact CD2-CG 3.84Å
144D88.1Confident85.2Confident0 Ų053.5 Ų53.50%027%0.268CS..Hα-helixtrans-63.7-31.7-178.7-70-10000111.8T12 Y16 T21 R23 T24 T140 K147 S148T12-D144 HydrophobicContact CG2-CB 4.1Å; Y16-D144 HydrophobicContact CE1-CB 4.15Å; Y16-D144 WeakPolarHBondContact OH-CB 3.4Å; Y16-D144 PolarHBondContact OH-OD2 3.42Å; T21-D144 HydrophobicContact CG2-CB 4.09Å; R23-D144 WeakPolarHBondContact CA-OD2 3.45Å; T24-D144 WeakPolarHBondContact CB-OD1 3.44Å; T24-D144 PolarHBondContact N-OD1 3.46Å; T24-D144 PolarHBondContact N-OD2 2.98Å; T24-D144 PolarHBondContact OG1-OD1 3.46Å; T140-D144 WeakPolarHBondContact O-CB 3.45Å; T140-D144 PolarHBondContact O-N 2.88Å; D144-K147 PolarHBondContact O-N 2.84Å; D144-S148 WeakPolarHBondContact O-CB 3.47Å; D144-S148 PolarHBondContact O-N 3.23Å
145S85Confident83.6Confident6 Ų654.3 Ų54.34%0.04228%0.276CS..Hα-helixtrans-67.4-43.1174.6-147.10000112.9H8 T12 L141 E142 L143 S148 K149H8-S145 PolarHBondContact CE1-OG 2.93Å; H8-S145 PolarHBondContact ND1-OG 2.87Å; H8-S145 PolarHBondContact NE2-OG 3.47Å; T12-S145 VanDerWaalsContact OG1-CB 3.22Å; T12-S145 WeakPolarHBondContact OG1-CB 3.35Å; T12-S145 PolarHBondContact OG1-OG 3.47Å; L141-S145 WeakPolarHBondContact O-CB 3.45Å; L141-S145 PolarHBondContact O-N 3.47Å; L141-S145 VanDerWaalsContact O-N 3.11Å; E142-S145 WeakPolarHBondContact O-CB 3.45Å; E142-S145 PolarHBondContact O-N 3.36Å; L143-S145 PolarHBondContact O-N 3.23Å; S145-S148 PolarHBondContact O-N 3.38Å; S145-K149 WeakPolarHBondContact O-CG 3.24Å; S145-K149 PolarHBondContact O-N 3.18Å
146Y84.9Confident82.1Confident64 Ų6456.6 Ų56.625%0.25130%0.296SS..Hα-helixtrans-66.7-38.3174-86.7-91.1000111.7E142 L143 K149 L150 V167E142-Y146 WeakPolarHBondContact O-CD2 3.3Å; E142-Y146 PolarHBondContact O-N 2.91Å; E142-Y146 VanDerWaalsContact O-N 3.1Å; L143-Y146 PolarHBondContact O-N 3.42Å; L143-Y146 VanDerWaalsContact O-N 3.14Å; Y146-K149 PolarHBondContact O-N 2.76Å; Y146-L150 WeakPolarHBondContact O-CB 3.12Å; Y146-L150 WeakPolarHBondContact O-CG 3.41Å; Y146-L150 PolarHBondContact O-N 3.26Å; Y146-V167 HydrophobicContact CD2-CB 4.28Å; Y146-V167 HydrophobicContact CD2-CG1 4.42Å; Y146-V167 HydrophobicContact CD2-CG2 3.71Å; Y146-V167 HydrophobicContact CE2-CG2 3.6Å; Y146-V167 HydrophobicContact CG-CG2 4.45Å
147K82.6Confident81.2Confident71 Ų7159.8 Ų59.831%0.30931%0.313SS..Hα-helixtrans-56.2-51.7171.6-71.1-179.3176.3175.30110.7T24 L143 D144 K149 L150 T151 Y164T24-K147 PolarHBondContact OG1-NZ 3.43Å; L143-K147 HydrophobicContact CG-CD 4.4Å; L143-K147 WeakPolarHBondContact O-CG 3.35Å; L143-K147 PolarHBondContact O-N 3.31Å; D144-K147 PolarHBondContact O-N 2.84Å; K147-K149 PolarHBondContact O-N 2.64Å; K147-L150 PolarHBondContact O-N 2.89Å; K147-T151 PolarHBondContact O-N 3.47Å; K147-T151 PolarHBondContact O-OG1 2.99Å; K147-Y164 HydrophobicContact CD-CE2 4.49Å; K147-Y164 WeakPolarHBondContact CE-OH 3.27Å; K147-Y164 HydrophobicContact CG-CD2 4.44Å; K147-Y164 HydrophobicContact CG-CE2 3.52Å
148S82.9Confident80.6Confident16 Ų1660.9 Ų60.911%0.11232%0.322CS..Hα-helixtrans-59.2-43.4178.8-170.60000112.5T21 D144 S145 T151 K152T21-S148 PolarHBondContact OG1-OG 2.89Å; D144-S148 WeakPolarHBondContact O-CB 3.47Å; D144-S148 PolarHBondContact O-N 3.23Å; S145-S148 PolarHBondContact O-N 3.38Å; S148-T151 PolarHBondContact O-N 2.89Å; S148-K152 WeakPolarHBondContact O-CG 3.34Å; S148-K152 PolarHBondContact O-N 3.29Å
149K81.8Confident80.2Confident63 Ų6362.4 Ų62.427%0.27434%0.338SS..Hα-helixtrans-63.5-43.9176.8-77.1171.1169.8169.70112.5H8 S145 Y146 K147 T151 K152 L153 Y160H8-K149 WeakPolarHBondContact CE1-CE 3.39Å; H8-K149 PolarHBondContact CE1-NZ 3.49Å; H8-K149 PolarHBondContact NE2-NZ 3.29Å; S145-K149 WeakPolarHBondContact O-CG 3.24Å; S145-K149 PolarHBondContact O-N 3.18Å; Y146-K149 PolarHBondContact O-N 2.76Å; K147-K149 PolarHBondContact O-N 2.64Å; K149-T151 VanDerWaalsContact C-N 3.3Å; K149-T151 PolarHBondContact O-N 2.74Å; K149-K152 PolarHBondContact O-N 3.37Å; K149-L153 VanDerWaalsContact O-CB 3.32Å; K149-L153 WeakPolarHBondContact O-CB 3.29Å; K149-L153 PolarHBondContact O-N 3.47Å; K149-Y160 HydrophobicContact CB-CD1 4.46Å; K149-Y160 HydrophobicContact CB-CE1 4.48Å; K149-Y160 HydrophobicContact CD-CD1 4.48Å; K149-Y160 HydrophobicContact CD-CE1 4.02Å
150L78.9Confident79.7Confident24 Ų2465.5 Ų65.513%0.12635%0.348CS..Hα-helixtrans-64.1-36.4176.9-79.8172000112.2Y146 K147 Y164Y146-L150 WeakPolarHBondContact O-CB 3.12Å; Y146-L150 WeakPolarHBondContact O-CG 3.41Å; Y146-L150 PolarHBondContact O-N 3.26Å; K147-L150 PolarHBondContact O-N 2.89Å; L150-Y164 HydrophobicContact CD1-CD1 3.7Å; L150-Y164 HydrophobicContact CD1-CD2 3.94Å; L150-Y164 HydrophobicContact CD1-CE1 4.37Å; L150-Y164 HydrophobicContact CD1-CG 3.44Å; L150-Y164 VanDerWaalsContact CD1-CG 3.44Å
151T79Confident79.3Confident116 Ų11669.4 Ų69.471%0.71237%0.365SS*.Hα-helixtrans-66.5-38.8174-55.50000111.6K147 S148 K149K147-T151 PolarHBondContact O-N 3.47Å; K147-T151 PolarHBondContact O-OG1 2.99Å; S148-T151 PolarHBondContact O-N 2.89Å; K149-T151 VanDerWaalsContact C-N 3.3Å; K149-T151 PolarHBondContact O-N 2.74Å
152K77.1Confident79.1Confident133 Ų13376.3 Ų76.358%0.57839%0.394SS*.Hα-helixtrans-81.6-38.4-177.9-71177-177177.70114.8S148 K149S148-K152 WeakPolarHBondContact O-CG 3.34Å; S148-K152 PolarHBondContact O-N 3.29Å; K149-K152 PolarHBondContact O-N 3.37Å
153L68.7Low79Confident87 Ų8774.2 Ų74.246%0.45539%0.389SS..SBendtrans-9819.8-166.3-71.9170000115K149 Y160K149-L153 VanDerWaalsContact O-CB 3.32Å; K149-L153 WeakPolarHBondContact O-CB 3.29Å; K149-L153 PolarHBondContact O-N 3.47Å; L153-Y160 HydrophobicContact CD1-CD2 4.39Å; L153-Y160 HydrophobicContact CD1-CE1 4.29Å; L153-Y160 HydrophobicContact CD1-CE2 3.64Å
154I61.9Low79Confident127 Ų12776.9 Ų76.965%0.65140%0.399SS*.  trans66.2121.3-174-50173.4000110.1S156 N157I154-S156 WeakPolarHBondContact CG2-OG 3.31Å; I154-S156 PolarHBondContact O-N 3.07Å; I154-N157 PolarHBondContact O-N 3.18Å
155K62.3Low79Confident171 Ų17182 Ų8274%0.74342%0.423SS*.THydrogen-bonded Turntrans-52.9-12.9-175.2-66.7-178.8178.71790115.2
156S63.7Low79.3Confident98 Ų9888.7 Ų88.769%0.68545%0.451SS*.THydrogen-bonded Turntrans-83.4-3.9-172.759.10000115.6I154 A158I154-S156 WeakPolarHBondContact CG2-OG 3.31Å; I154-S156 PolarHBondContact O-N 3.07Å; S156-A158 PolarHBondContact O-N 3.5Å; S156-A158 VanDerWaalsContact O-N 3.08Å
157N74.7Confident79.7Confident71 Ų7186 Ų8638%0.3844%0.441SS..  trans-78.399.7177.6-168.8-32.1000111.2I154 S159 Y160 Q161I154-N157 PolarHBondContact O-N 3.18Å; N157-S159 PolarHBondContact O-N 3.1Å; N157-S159 WeakPolarHBondContact OD1-CB 3.35Å; N157-S159 PolarHBondContact OD1-N 3.19Å; N157-Y160 HydrophobicContact CB-CD2 3.81Å; N157-Y160 PolarHBondContact O-N 3.45Å; N157-Q161 PolarHBondContact O-N 3.3Å; N157-Q161 VanDerWaalsContact O-N 3.16Å
158A81.1Confident80.1Confident74 Ų7484.4 Ų84.461%0.61244%0.436SS*.Hα-helixtrans-52.5-30.9-177.800000114.2S156 Q161 K162S156-A158 PolarHBondContact O-N 3.5Å; S156-A158 VanDerWaalsContact O-N 3.08Å; A158-Q161 PolarHBondContact O-N 2.84Å; A158-K162 WeakPolarHBondContact O-CB 3.3Å; A158-K162 PolarHBondContact O-N 3.33Å
159S83.2Confident80.5Confident90 Ų9084.9 Ų84.963%0.62944%0.443SS*.Hα-helixtrans-66.1-43.8176.9-174.90000111.9N157 G163N157-S159 PolarHBondContact O-N 3.1Å; N157-S159 WeakPolarHBondContact OD1-CB 3.35Å; N157-S159 PolarHBondContact OD1-N 3.19Å; S159-G163 PolarHBondContact O-N 3.02Å
160Y80.2Confident81.1Confident73 Ų7386.4 Ų86.429%0.28645%0.45SS..Hα-helixtrans-70.1-35.8177.3-76.3-70.8000112.1K149 L153 N157 G163 Y164K149-Y160 HydrophobicContact CB-CD1 4.46Å; K149-Y160 HydrophobicContact CB-CE1 4.48Å; K149-Y160 HydrophobicContact CD-CD1 4.48Å; K149-Y160 HydrophobicContact CD-CE1 4.02Å; L153-Y160 HydrophobicContact CD1-CD2 4.39Å; L153-Y160 HydrophobicContact CD1-CE1 4.29Å; L153-Y160 HydrophobicContact CD1-CE2 3.64Å; N157-Y160 HydrophobicContact CB-CD2 3.81Å; N157-Y160 PolarHBondContact O-N 3.45Å; Y160-G163 PolarHBondContact O-N 3.22Å; Y160-Y164 WeakPolarHBondContact O-CB 3.21Å; Y160-Y164 PolarHBondContact O-N 3.4Å
161Q82.2Confident81.8Confident96 Ų9686.3 Ų86.345%0.44945%0.448SS..Hα-helixtrans-63.1-47.9176.3-172.3172.7-8.200111.4N157 A158 G163 Y164 E165N157-Q161 PolarHBondContact O-N 3.3Å; N157-Q161 VanDerWaalsContact O-N 3.16Å; A158-Q161 PolarHBondContact O-N 2.84Å; Q161-G163 VanDerWaalsContact C-N 3.29Å; Q161-G163 PolarHBondContact O-N 2.9Å; Q161-Y164 WeakPolarHBondContact O-CB 3.29Å; Q161-Y164 PolarHBondContact O-N 3.04Å; Q161-Y164 VanDerWaalsContact O-N 3.14Å; Q161-E165 WeakPolarHBondContact O-CG 3.37Å; Q161-E165 PolarHBondContact O-N 2.7Å
162K86.5Confident82.6Confident159 Ų15986.2 Ų86.269%0.69144%0.439SS*.Hα-helixtrans-61.7-37.6174.9-170.8175.7-176.2174.50112.5A158 K166A158-K162 WeakPolarHBondContact O-CB 3.3Å; A158-K162 PolarHBondContact O-N 3.33Å; K162-K166 PolarHBondContact O-N 3.43Å
163G87.4Confident83.5Confident15 Ų1587 Ų8716%0.15544%0.442CS..Hα-helixtrans-63.3-43.1173.600000112.6S159 Y160 Q161 K166 V167S159-G163 PolarHBondContact O-N 3.02Å; Y160-G163 PolarHBondContact O-N 3.22Å; Q161-G163 VanDerWaalsContact C-N 3.29Å; Q161-G163 PolarHBondContact O-N 2.9Å; G163-K166 PolarHBondContact O-N 3.25Å; G163-V167 WeakPolarHBondContact O-CG2 3.41Å; G163-V167 PolarHBondContact O-N 2.85Å; G163-V167 VanDerWaalsContact O-N 3.1Å
164Y87Confident84.8Confident60 Ų6088.4 Ų88.424%0.23544%0.442CS..Hα-helixtrans-64.4-46.8177.6176.4-114.6000112.3L143 K147 L150 Y160 Q161 K166 V167 I168L143-Y164 HydrophobicContact CD1-CD2 4.1Å; L143-Y164 HydrophobicContact CD1-CE2 3.53Å; K147-Y164 HydrophobicContact CD-CE2 4.49Å; K147-Y164 WeakPolarHBondContact CE-OH 3.27Å; K147-Y164 HydrophobicContact CG-CD2 4.44Å; K147-Y164 HydrophobicContact CG-CE2 3.52Å; L150-Y164 HydrophobicContact CD1-CD1 3.7Å; L150-Y164 HydrophobicContact CD1-CD2 3.94Å; L150-Y164 HydrophobicContact CD1-CE1 4.37Å; L150-Y164 HydrophobicContact CD1-CG 3.44Å; L150-Y164 VanDerWaalsContact CD1-CG 3.44Å; Y160-Y164 WeakPolarHBondContact O-CB 3.21Å; Y160-Y164 PolarHBondContact O-N 3.4Å; Q161-Y164 WeakPolarHBondContact O-CB 3.29Å; Q161-Y164 PolarHBondContact O-N 3.04Å; Q161-Y164 VanDerWaalsContact O-N 3.14Å; Y164-K166 VanDerWaalsContact C-N 3.27Å; Y164-K166 PolarHBondContact O-N 2.8Å; Y164-V167 PolarHBondContact O-N 3.31Å; Y164-I168 HydrophobicContact CD1-CD1 3.52Å; Y164-I168 HydrophobicContact CD1-CG1 4.37Å; Y164-I168 HydrophobicContact CD2-CD1 4.25Å; Y164-I168 HydrophobicContact CD2-CG1 4.26Å; Y164-I168 HydrophobicContact CE1-CD1 3.09Å; Y164-I168 HydrophobicContact CE1-CG1 4.04Å; Y164-I168 HydrophobicContact CE2-CD1 3.88Å; Y164-I168 HydrophobicContact CE2-CG1 3.89Å; Y164-I168 HydrophobicContact CG-CD1 4.1Å; Y164-I168 HydrophobicContact CG-CG1 4.49Å; Y164-I168 WeakPolarHBondContact O-CG1 3.33Å; Y164-I168 PolarHBondContact O-N 3.44Å
165E89Confident86.3Confident107 Ų10784.2 Ų84.250%0.542%0.421SS..Hα-helixtrans-55.5-43.1175.1-72.7167.9-172.600111.7Q161 V167 I168 G169Q161-E165 WeakPolarHBondContact O-CG 3.37Å; Q161-E165 PolarHBondContact O-N 2.7Å; E165-V167 VanDerWaalsContact C-N 3.33Å; E165-V167 PolarHBondContact O-N 3.12Å; E165-I168 PolarHBondContact O-N 3.49Å; E165-G169 PolarHBondContact O-N 2.95Å
166K91.5Very high87.8Confident148 Ų14882 Ų8264%0.64341%0.413SS*.Hα-helixtrans-63.8-37.3176.3-174.7175.7-178175.60112.6K162 G163 Y164 K170K162-K166 PolarHBondContact O-N 3.43Å; G163-K166 PolarHBondContact O-N 3.25Å; Y164-K166 VanDerWaalsContact C-N 3.27Å; Y164-K166 PolarHBondContact O-N 2.8Å; K166-K170 WeakPolarHBondContact O-CG 3.06Å; K166-K170 PolarHBondContact O-N 3.43Å
167V91.5Very high89.4Confident7 Ų779.4 Ų79.44%0.04240%0.397CS..Hα-helixtrans-76.7-37.5-179.8173.10000111.6E142 L143 Y146 G163 Y164 E165 K170 Y171E142-V167 HydrophobicContact CB-CG1 3.82Å; L143-V167 VanDerWaalsContact CA-CG1 3.47Å; L143-V167 HydrophobicContact CB-CG1 3.98Å; L143-V167 HydrophobicContact CD1-CG1 4.3Å; Y146-V167 HydrophobicContact CD2-CB 4.28Å; Y146-V167 HydrophobicContact CD2-CG1 4.42Å; Y146-V167 HydrophobicContact CD2-CG2 3.71Å; Y146-V167 HydrophobicContact CE2-CG2 3.6Å; Y146-V167 HydrophobicContact CG-CG2 4.45Å; G163-V167 WeakPolarHBondContact O-CG2 3.41Å; G163-V167 PolarHBondContact O-N 2.85Å; G163-V167 VanDerWaalsContact O-N 3.1Å; Y164-V167 PolarHBondContact O-N 3.31Å; E165-V167 VanDerWaalsContact C-N 3.33Å; E165-V167 PolarHBondContact O-N 3.12Å; V167-K170 WeakPolarHBondContact O-CB 3.31Å; V167-K170 PolarHBondContact O-N 2.98Å; V167-Y171 PolarHBondContact O-N 3.48Å
168I91.4Very high90.4Very high38 Ų3876 Ų7620%0.19538%0.379CS..Hα-helixtrans-55.9-53.4170.2-70.5164.5000110L143 Y164 E165 K170 Y171 E172L143-I168 HydrophobicContact CD1-CB 4.41Å; L143-I168 HydrophobicContact CD1-CG1 3.5Å; Y164-I168 HydrophobicContact CD1-CD1 3.52Å; Y164-I168 HydrophobicContact CD1-CG1 4.37Å; Y164-I168 HydrophobicContact CD2-CD1 4.25Å; Y164-I168 HydrophobicContact CD2-CG1 4.26Å; Y164-I168 HydrophobicContact CE1-CD1 3.09Å; Y164-I168 HydrophobicContact CE1-CG1 4.04Å; Y164-I168 HydrophobicContact CE2-CD1 3.88Å; Y164-I168 HydrophobicContact CE2-CG1 3.89Å; Y164-I168 HydrophobicContact CG-CD1 4.1Å; Y164-I168 HydrophobicContact CG-CG1 4.49Å; Y164-I168 WeakPolarHBondContact O-CG1 3.33Å; Y164-I168 PolarHBondContact O-N 3.44Å; E165-I168 PolarHBondContact O-N 3.49Å; I168-K170 PolarHBondContact O-N 2.9Å; I168-K170 VanDerWaalsContact O-N 3.15Å; I168-Y171 WeakPolarHBondContact O-CA 3.33Å; I168-Y171 WeakPolarHBondContact O-CB 3.34Å; I168-Y171 PolarHBondContact O-N 2.9Å; I168-E172 HydrophobicContact CG2-CG 4.08Å; I168-E172 WeakPolarHBondContact CG2-OE1 3.49Å; I168-E172 WeakPolarHBondContact O-CG 3.45Å; I168-E172 PolarHBondContact O-N 3.19Å
169G92.6Very high91.1Very high25 Ų2574.2 Ų74.226%0.25836%0.36SS..Hα-helixtrans-62.6-26.6-178.300000113.4E165 K173E165-G169 PolarHBondContact O-N 2.95Å; G169-K173 WeakPolarHBondContact O-CD 3.45Å; G169-K173 VanDerWaalsContact O-CG 3.23Å; G169-K173 WeakPolarHBondContact O-CG 3.34Å; G169-K173 PolarHBondContact O-N 3.45Å
170K94.3Very high91.7Very high96 Ų9674.3 Ų74.342%0.41735%0.353SS..Hα-helixtrans-71.7-47.3169.4-76.1176.4175.3-174.20111.6E142 K166 V167 I168 K173 R174E142-K170 IonicContact OE2-NZ 3.73Å; K166-K170 WeakPolarHBondContact O-CG 3.06Å; K166-K170 PolarHBondContact O-N 3.43Å; V167-K170 WeakPolarHBondContact O-CB 3.31Å; V167-K170 PolarHBondContact O-N 2.98Å; I168-K170 PolarHBondContact O-N 2.9Å; I168-K170 VanDerWaalsContact O-N 3.15Å; K170-K173 PolarHBondContact O-N 2.96Å; K170-R174 WeakPolarHBondContact O-CG 3.35Å; K170-R174 PolarHBondContact O-N 3.24Å
171Y93.8Very high92.5Very high21 Ų2171.3 Ų71.38%0.08234%0.342CS..Hα-helixtrans-57.4-48.5178.4169.2-95.5000111.2T24 L136 A139 T140 L143 V167 I168 K173 R174 L175T24-Y171 HydrophobicContact CG2-CE1 4.39Å; T24-Y171 HydrophobicContact CG2-CE2 4.39Å; L136-Y171 HydrophobicContact CD1-CD2 4.04Å; L136-Y171 HydrophobicContact CD1-CE2 3.7Å; A139-Y171 HydrophobicContact CB-CD2 4.29Å; T140-Y171 WeakPolarHBondContact OG1-CE2 3.44Å; L143-Y171 HydrophobicContact CD2-CD1 3.91Å; L143-Y171 HydrophobicContact CD2-CD2 4.19Å; L143-Y171 HydrophobicContact CD2-CE1 4.32Å; L143-Y171 HydrophobicContact CD2-CG 3.84Å; V167-Y171 PolarHBondContact O-N 3.48Å; I168-Y171 WeakPolarHBondContact O-CA 3.33Å; I168-Y171 WeakPolarHBondContact O-CB 3.34Å; I168-Y171 PolarHBondContact O-N 2.9Å; Y171-K173 PolarHBondContact O-N 3.21Å; Y171-R174 PolarHBondContact O-N 2.81Å; Y171-R174 VanDerWaalsContact O-N 3.1Å; Y171-L175 HydrophobicContact CE1-CD2 4.01Å; Y171-L175 WeakPolarHBondContact O-CB 3.31Å; Y171-L175 PolarHBondContact O-N 3.42Å
172E93.7Very high93.2Very high114 Ų11466.8 Ų66.853%0.53332%0.321SS..Hα-helixtrans-58.6-45.2178.9-70.7172.9163.300111.9I168 R174 L175 E176I168-E172 HydrophobicContact CG2-CG 4.08Å; I168-E172 WeakPolarHBondContact CG2-OE1 3.49Å; I168-E172 WeakPolarHBondContact O-CG 3.45Å; I168-E172 PolarHBondContact O-N 3.19Å; E172-R174 VanDerWaalsContact C-N 3.33Å; E172-R174 PolarHBondContact O-N 3.15Å; E172-L175 WeakPolarHBondContact O-CB 3.29Å; E172-L175 PolarHBondContact O-N 2.55Å; E172-E176 WeakPolarHBondContact O-CB 3.27Å; E172-E176 PolarHBondContact O-N 3.25Å
173K96Very high93.5Very high149 Ų14963.8 Ų63.865%0.64831%0.313SS*.Hα-helixtrans-61.9-38.9175.4-73.4176.6-177.3-171.30113G169 K170 Y171 A177G169-K173 WeakPolarHBondContact O-CD 3.45Å; G169-K173 VanDerWaalsContact O-CG 3.23Å; G169-K173 WeakPolarHBondContact O-CG 3.34Å; G169-K173 PolarHBondContact O-N 3.45Å; K170-K173 PolarHBondContact O-N 2.96Å; Y171-K173 PolarHBondContact O-N 3.21Å; K173-A177 WeakPolarHBondContact O-CB 3.44Å; K173-A177 PolarHBondContact O-N 2.96Å; K173-A177 VanDerWaalsContact O-N 3.1Å
174R96.3Very high93.9Very high118 Ų11867 Ų6745%0.44532%0.322SS..Hα-helixtrans-71.5-36.2176.6-64.6-51.2-177153.96.5111.7D135 L136 A139 K170 Y171 E172 F178D135-R174 IonicContact OD2-CZ 3.94Å; D135-R174 IonicContact OD2-NH1 3.82Å; D135-R174 PolarHBondContact OD2-NH1 3.33Å; D135-R174 IonicContact OD2-NH2 3.43Å; L136-R174 HydrophobicContact CD1-CB 4.36Å; A139-R174 HydrophobicContact CB-CB 4.32Å; A139-R174 HydrophobicContact CB-CG 4.16Å; K170-R174 WeakPolarHBondContact O-CG 3.35Å; K170-R174 PolarHBondContact O-N 3.24Å; Y171-R174 PolarHBondContact O-N 2.81Å; Y171-R174 VanDerWaalsContact O-N 3.1Å; E172-R174 VanDerWaalsContact C-N 3.33Å; E172-R174 PolarHBondContact O-N 3.15Å; R174-F178 VanDerWaalsContact O-CB 3.29Å; R174-F178 WeakPolarHBondContact O-CB 3.3Å; R174-F178 PolarHBondContact O-N 3.04Å
175L94.1Very high94.3Very high39 Ų3964.2 Ų64.220%0.20431%0.311CS..Hα-helixtrans-64.5-46.7174.8-179.561.9000110.6L26 I30 L136 Y171 E172 F178 V179L26-L175 HydrophobicContact CD2-CD1 3.57Å; I30-L175 HydrophobicContact CD1-CD1 4.14Å; L136-L175 HydrophobicContact CD1-CB 4Å; L136-L175 HydrophobicContact CD1-CD1 4.22Å; L136-L175 HydrophobicContact CD2-CD1 4.06Å; Y171-L175 HydrophobicContact CE1-CD2 4.01Å; Y171-L175 WeakPolarHBondContact O-CB 3.31Å; Y171-L175 PolarHBondContact O-N 3.42Å; E172-L175 WeakPolarHBondContact O-CB 3.29Å; E172-L175 PolarHBondContact O-N 2.55Å; L175-F178 PolarHBondContact O-N 3.1Å; L175-V179 HydrophobicContact CD1-CG2 4.24Å; L175-V179 HydrophobicContact CG-CG2 4.42Å; L175-V179 WeakPolarHBondContact O-CB 3.12Å; L175-V179 VanDerWaalsContact O-CG2 3.24Å; L175-V179 WeakPolarHBondContact O-CG2 3.3Å; L175-V179 PolarHBondContact O-N 3.31Å
176E94.7Very high94.6Very high123 Ų12363 Ų6358%0.57531%0.308SS*.Hα-helixtrans-58.5-49.7176.5-176-179.3-168.400111.6E172 F178 V179 I180E172-E176 WeakPolarHBondContact O-CB 3.27Å; E172-E176 PolarHBondContact O-N 3.25Å; E176-F178 VanDerWaalsContact C-N 3.31Å; E176-F178 PolarHBondContact O-N 2.9Å; E176-V179 PolarHBondContact O-N 3.25Å; E176-I180 HydrophobicContact CG-CD1 4.24Å; E176-I180 WeakPolarHBondContact O-CG1 3.46Å; E176-I180 PolarHBondContact O-N 3.41Å
177A95.8Very high94.9Very high44 Ų4458.3 Ų58.336%0.36430%0.297SS..Hα-helixtrans-58.8-42.7176.300000112.2K173 I180 I181K173-A177 WeakPolarHBondContact O-CB 3.44Å; K173-A177 PolarHBondContact O-N 2.96Å; K173-A177 VanDerWaalsContact O-N 3.1Å; A177-I180 PolarHBondContact O-N 3.23Å; A177-I181 WeakPolarHBondContact O-CG1 3.38Å; A177-I181 PolarHBondContact O-N 3.46Å
178F96.5Very high95.1Very high0 Ų059 Ų590%030%0.299CS..Hα-helixtrans-63.6-44.7176.4-178.9-100.1000112.1I30 Q34 F129 A132 E133 L136 R174 L175 E176 I180 I181 V182I30-F178 HydrophobicContact CG2-CD1 4.03Å; I30-F178 HydrophobicContact CG2-CE1 3.8Å; Q34-F178 HydrophobicContact CB-CE1 4.27Å; Q34-F178 HydrophobicContact CB-CZ 3.85Å; Q34-F178 HydrophobicContact CG-CZ 3.87Å; F129-F178 HydrophobicContact CD2-CE2 4.04Å; F129-F178 AromaticContact CE2-CE2 3.63Å; F129-F178 HydrophobicContact CE2-CE2 3.63Å; F129-F178 AromaticContact CE2-CZ 3.84Å; F129-F178 HydrophobicContact CE2-CZ 3.84Å; F129-F178 HydrophobicContact CZ-CE2 4.49Å; A132-F178 HydrophobicContact CB-CD2 4Å; E133-F178 HydrophobicContact CB-CE2 3.98Å; E133-F178 HydrophobicContact CG-CE2 4.34Å; L136-F178 HydrophobicContact CD2-CB 3.88Å; L136-F178 HydrophobicContact CD2-CD1 3.57Å; L136-F178 HydrophobicContact CD2-CD2 4.24Å; L136-F178 HydrophobicContact CD2-CE1 4.14Å; L136-F178 HydrophobicContact CD2-CG 3.62Å; R174-F178 VanDerWaalsContact O-CB 3.29Å; R174-F178 WeakPolarHBondContact O-CB 3.3Å; R174-F178 PolarHBondContact O-N 3.04Å; L175-F178 PolarHBondContact O-N 3.1Å; E176-F178 VanDerWaalsContact C-N 3.31Å; E176-F178 PolarHBondContact O-N 2.9Å; F178-I180 VanDerWaalsContact C-N 3.33Å; F178-I180 PolarHBondContact O-N 3.04Å; F178-I181 PolarHBondContact O-N 3.01Å; F178-I181 VanDerWaalsContact O-N 3.13Å; F178-V182 HydrophobicContact CD1-CG1 4.21Å; F178-V182 HydrophobicContact CD2-CG1 4.46Å; F178-V182 HydrophobicContact CE1-CG1 3.69Å; F178-V182 HydrophobicContact CE1-CG2 4.42Å; F178-V182 HydrophobicContact CE2-CG1 3.97Å; F178-V182 HydrophobicContact CZ-CG1 3.56Å; F178-V182 PolarHBondContact O-N 2.79Å
179V94.9Very high95.3Very high36 Ų3659.6 Ų59.622%0.21830%0.301CS..Hα-helixtrans-59.3-43.6177.2168.80000111.1I30 L175 E176 I181 V182 N183I30-V179 HydrophobicContact CD1-CG2 3.59Å; I30-V179 HydrophobicContact CG1-CG2 4.08Å; I30-V179 HydrophobicContact CG2-CG2 4.41Å; L175-V179 HydrophobicContact CD1-CG2 4.24Å; L175-V179 HydrophobicContact CG-CG2 4.42Å; L175-V179 WeakPolarHBondContact O-CB 3.12Å; L175-V179 VanDerWaalsContact O-CG2 3.24Å; L175-V179 WeakPolarHBondContact O-CG2 3.3Å; L175-V179 PolarHBondContact O-N 3.31Å; E176-V179 PolarHBondContact O-N 3.25Å; V179-I181 VanDerWaalsContact C-N 3.28Å; V179-I181 PolarHBondContact O-N 3.42Å; V179-V182 WeakPolarHBondContact O-CG2 3.4Å; V179-V182 PolarHBondContact O-N 2.96Å; V179-N183 WeakPolarHBondContact CG1-ND2 3.45Å; V179-N183 VanDerWaalsContact O-CB 3.29Å; V179-N183 WeakPolarHBondContact O-CB 3.35Å; V179-N183 PolarHBondContact O-N 3.47Å; V179-N183 PolarHBondContact O-ND2 3.11Å
180I96.6Very high95.5Very high93 Ų9363.2 Ų63.248%0.47731%0.313SS..Hα-helixtrans-57.2-43.1175.7-69.9165.3000111E176 A177 F178 K184E176-I180 HydrophobicContact CG-CD1 4.24Å; E176-I180 WeakPolarHBondContact O-CG1 3.46Å; E176-I180 PolarHBondContact O-N 3.41Å; A177-I180 PolarHBondContact O-N 3.23Å; F178-I180 VanDerWaalsContact C-N 3.33Å; F178-I180 PolarHBondContact O-N 3.04Å; I180-K184 WeakPolarHBondContact O-CG 3.45Å
181I96.8Very high95.6Very high9 Ų962.4 Ų62.45%0.04631%0.311CS..Hα-helixtrans-68.2-51.3-179.9-66.7160.1000111F37 E128 F129 A132 A177 F178 V179 N183 K184F37-I181 HydrophobicContact CE2-CG2 4.39Å; F37-I181 HydrophobicContact CZ-CG2 4.47Å; E128-I181 HydrophobicContact CG-CD1 3.81Å; E128-I181 HydrophobicContact CG-CG1 4.3Å; F129-I181 HydrophobicContact CB-CG2 4Å; F129-I181 HydrophobicContact CD2-CG2 4.38Å; A132-I181 HydrophobicContact CB-CD1 3.38Å; A177-I181 WeakPolarHBondContact O-CG1 3.38Å; A177-I181 PolarHBondContact O-N 3.46Å; F178-I181 PolarHBondContact O-N 3.01Å; F178-I181 VanDerWaalsContact O-N 3.13Å; V179-I181 VanDerWaalsContact C-N 3.28Å; V179-I181 PolarHBondContact O-N 3.42Å; I181-N183 PolarHBondContact O-N 3.44Å; I181-K184 WeakPolarHBondContact O-CB 3.46Å; I181-K184 PolarHBondContact O-N 3.41Å
182V95.9Very high95.7Very high1 Ų162.5 Ų62.51%0.00631%0.312CS..Hα-helixtrans-66.8-26.9-176.3-60.90000112.8L33 F37 F129 F178 V179 K184 L185L33-V182 HydrophobicContact CB-CB 4.15Å; L33-V182 HydrophobicContact CB-CG2 4.14Å; L33-V182 HydrophobicContact CD1-CG2 4.25Å; F37-V182 HydrophobicContact CD2-CB 4.38Å; F37-V182 HydrophobicContact CD2-CG1 4.33Å; F129-V182 HydrophobicContact CD2-CG1 3.99Å; F129-V182 HydrophobicContact CE2-CG1 3.78Å; F178-V182 HydrophobicContact CD1-CG1 4.21Å; F178-V182 HydrophobicContact CD2-CG1 4.46Å; F178-V182 HydrophobicContact CE1-CG1 3.69Å; F178-V182 HydrophobicContact CE1-CG2 4.42Å; F178-V182 HydrophobicContact CE2-CG1 3.97Å; F178-V182 HydrophobicContact CZ-CG1 3.56Å; F178-V182 PolarHBondContact O-N 2.79Å; V179-V182 WeakPolarHBondContact O-CG2 3.4Å; V179-V182 PolarHBondContact O-N 2.96Å; V182-K184 PolarHBondContact O-N 2.98Å; V182-L185 WeakPolarHBondContact O-CB 3.37Å; V182-L185 PolarHBondContact O-N 3.2Å; V182-L185 VanDerWaalsContact O-N 3.15Å
183N94.5Very high95.8Very high97 Ų9759.3 Ų59.352%0.51931%0.306SS..Hα-helixtrans-68.2-19.6174.6-76.4-19.6000113.3V179 I181 L185V179-N183 WeakPolarHBondContact CG1-ND2 3.45Å; V179-N183 VanDerWaalsContact O-CB 3.29Å; V179-N183 WeakPolarHBondContact O-CB 3.35Å; V179-N183 PolarHBondContact O-N 3.47Å; V179-N183 PolarHBondContact O-ND2 3.11Å; I181-N183 PolarHBondContact O-N 3.44Å; N183-L185 PolarHBondContact O-N 3.48Å
184K96Very high95.8Very high82 Ų8257.2 Ų57.236%0.35730%0.298SS..THydrogen-bonded Turntrans-74.9-11.7173.4-61.7175.6-171.6173.50113I180 I181 V182 N186 A187 Y188I180-K184 WeakPolarHBondContact O-CG 3.45Å; I181-K184 WeakPolarHBondContact O-CB 3.46Å; I181-K184 PolarHBondContact O-N 3.41Å; V182-K184 PolarHBondContact O-N 2.98Å; K184-N186 VanDerWaalsContact C-N 3.34Å; K184-N186 PolarHBondContact O-N 2.99Å; K184-A187 WeakPolarHBondContact O-CB 3.23Å; K184-A187 PolarHBondContact O-N 3.3Å; K184-Y188 HydrophobicContact CB-CD2 4.07Å; K184-Y188 HydrophobicContact CB-CE2 3.37Å; K184-Y188 HydrophobicContact CD-CE2 4.33Å; K184-Y188 WeakPolarHBondContact CD-OH 3.49Å; K184-Y188 HydrophobicContact CG-CE2 4.5Å; K184-Y188 VanDerWaalsContact O-CD2 3.31Å; K184-Y188 WeakPolarHBondContact O-CD2 3.41Å; K184-Y188 PolarHBondContact O-N 3.38Å
185L95.3Very high95.7Very high1 Ų153.4 Ų53.41%0.00528%0.284CS..Hα-helixtrans-52.3-46.5-174.7-179.857.2000113.8R36 F37 F40 V182 N183 A187 Y188 E189R36-L185 HydrophobicContact CB-CD2 3.81Å; R36-L185 HydrophobicContact CG-CD2 3.72Å; F37-L185 HydrophobicContact CB-CD1 4.31Å; F37-L185 HydrophobicContact CB-CD2 4.05Å; F37-L185 HydrophobicContact CD2-CB 3.71Å; F37-L185 HydrophobicContact CD2-CD1 3.78Å; F37-L185 HydrophobicContact CD2-CD2 4.17Å; F37-L185 HydrophobicContact CD2-CG 4.09Å; F37-L185 HydrophobicContact CE2-CB 4Å; F37-L185 HydrophobicContact CE2-CD1 4.18Å; F37-L185 HydrophobicContact CG-CD1 3.98Å; F37-L185 HydrophobicContact CG-CD2 4.42Å; F40-L185 HydrophobicContact CB-CD1 4.05Å; F40-L185 HydrophobicContact CD1-CD1 3.88Å; F40-L185 HydrophobicContact CG-CD1 4.07Å; V182-L185 WeakPolarHBondContact O-CB 3.37Å; V182-L185 PolarHBondContact O-N 3.2Å; V182-L185 VanDerWaalsContact O-N 3.15Å; N183-L185 PolarHBondContact O-N 3.48Å; L185-A187 PolarHBondContact O-N 3.49Å; L185-Y188 PolarHBondContact O-N 3.44Å; L185-Y188 VanDerWaalsContact O-N 3.07Å; L185-E189 HydrophobicContact CD1-CG 4.09Å; L185-E189 HydrophobicContact CG-CG 4.36Å; L185-E189 PolarHBondContact O-N 3.34Å
186N95.1Very high95.7Very high83 Ų8355.2 Ų55.244%0.44429%0.293SS..Hα-helixtrans-59.2-37.7-178.9-72.3-22.4000111.7R36 K184 I190R36-N186 PolarHBondContact NH1-OD1 3.29Å; R36-N186 PolarHBondContact NH2-OD1 2.9Å; K184-N186 VanDerWaalsContact C-N 3.34Å; K184-N186 PolarHBondContact O-N 2.99Å; N186-I190 WeakPolarHBondContact O-CD1 3.16Å; N186-I190 VanDerWaalsContact O-CG1 3.24Å; N186-I190 WeakPolarHBondContact O-CG1 3.3Å; N186-I190 PolarHBondContact O-N 2.89Å; N186-I190 VanDerWaalsContact O-N 3.09Å
187A96.7Very high95.8Very high49 Ų4956 Ų5641%0.40529%0.294SS..Hα-helixtrans-66.7-41.317700000111.3K184 L185 I190 Q191K184-A187 WeakPolarHBondContact O-CB 3.23Å; K184-A187 PolarHBondContact O-N 3.3Å; L185-A187 PolarHBondContact O-N 3.49Å; A187-I190 PolarHBondContact O-N 3.42Å; A187-Q191 VanDerWaalsContact O-CG 3.31Å; A187-Q191 WeakPolarHBondContact O-CG 3.4Å; A187-Q191 PolarHBondContact O-N 3Å
188Y96.3Very high95.8Very high22 Ų2257 Ų579%0.08629%0.293CS..Hα-helixtrans-66.2-39.4177.7-58.9-46.5000112.9F37 F121 E125 K184 L185 Q191 H192F37-Y188 HydrophobicContact CE2-CD2 4.17Å; F37-Y188 HydrophobicContact CE2-CE2 4.28Å; F37-Y188 AromaticContact CZ-CD2 3.98Å; F37-Y188 HydrophobicContact CZ-CD2 3.98Å; F37-Y188 HydrophobicContact CZ-CE2 4.03Å; F121-Y188 HydrophobicContact CD2-CD1 4.09Å; F121-Y188 HydrophobicContact CD2-CD2 4.5Å; F121-Y188 HydrophobicContact CD2-CG 4.07Å; F121-Y188 AromaticContact CE2-CD1 3.97Å; F121-Y188 HydrophobicContact CE2-CD1 3.97Å; F121-Y188 AromaticContact CE2-CD2 3.6Å; F121-Y188 HydrophobicContact CE2-CD2 3.6Å; F121-Y188 HydrophobicContact CE2-CE1 4.47Å; F121-Y188 HydrophobicContact CE2-CE2 4.14Å; F121-Y188 AromaticContact CE2-CG 3.5Å; F121-Y188 HydrophobicContact CE2-CG 3.5Å; F121-Y188 HydrophobicContact CZ-CD2 4.41Å; E125-Y188 HydrophobicContact CB-CE2 4.33Å; E125-Y188 HydrophobicContact CG-CE1 3.67Å; E125-Y188 HydrophobicContact CG-CE2 4.08Å; E125-Y188 VanDerWaalsContact CG-CZ 3.42Å; E125-Y188 WeakPolarHBondContact CG-OH 3.36Å; K184-Y188 HydrophobicContact CB-CD2 4.07Å; K184-Y188 HydrophobicContact CB-CE2 3.37Å; K184-Y188 HydrophobicContact CD-CE2 4.33Å; K184-Y188 WeakPolarHBondContact CD-OH 3.49Å; K184-Y188 HydrophobicContact CG-CE2 4.5Å; K184-Y188 VanDerWaalsContact O-CD2 3.31Å; K184-Y188 WeakPolarHBondContact O-CD2 3.41Å; K184-Y188 PolarHBondContact O-N 3.38Å; L185-Y188 PolarHBondContact O-N 3.44Å; L185-Y188 VanDerWaalsContact O-N 3.07Å; Y188-Q191 PolarHBondContact O-N 2.72Å; Y188-H192 WeakPolarHBondContact O-CB 3.26Å; Y188-H192 PolarHBondContact O-N 3.1Å
189E95.8Very high95.7Very high49 Ų4957.4 Ų57.423%0.22930%0.297CS..Hα-helixtrans-64.3-41.7175-72.9-177.5174.900112R36 F40 L185 H192 A193R36-E189 IonicContact CZ-OE1 2.75Å; R36-E189 IonicContact CZ-OE2 3.33Å; R36-E189 VanDerWaalsContact CZ-OE2 3.28Å; R36-E189 IonicContact NE-OE1 2.56Å; R36-E189 PolarHBondContact NE-OE1 2.92Å; R36-E189 IonicContact NE-OE2 2.8Å; R36-E189 IonicContact NH2-OE1 3.28Å; R36-E189 PolarHBondContact NH2-OE1 2.96Å; R36-E189 IonicContact NH2-OE2 3.4Å; R36-E189 PolarHBondContact NH2-OE2 3.25Å; F40-E189 HydrophobicContact CD2-CG 3.81Å; F40-E189 HydrophobicContact CE2-CB 4.46Å; F40-E189 HydrophobicContact CE2-CG 3.88Å; F40-E189 HydrophobicContact CG-CG 4.24Å; F40-E189 HydrophobicContact CZ-CG 4.35Å; L185-E189 HydrophobicContact CD1-CG 4.09Å; L185-E189 HydrophobicContact CG-CG 4.36Å; L185-E189 PolarHBondContact O-N 3.34Å; E189-H192 PolarHBondContact O-N 2.88Å; E189-A193 WeakPolarHBondContact O-CB 3.45Å; E189-A193 PolarHBondContact O-N 3.17Å
190I97Very high95.7Very high102 Ų10259.1 Ų59.152%0.52331%0.307SS..Hα-helixtrans-60.8-48.8175.3-69.9165000110.3N186 A187 H192 A193 E194N186-I190 WeakPolarHBondContact O-CD1 3.16Å; N186-I190 VanDerWaalsContact O-CG1 3.24Å; N186-I190 WeakPolarHBondContact O-CG1 3.3Å; N186-I190 PolarHBondContact O-N 2.89Å; N186-I190 VanDerWaalsContact O-N 3.09Å; A187-I190 PolarHBondContact O-N 3.42Å; I190-H192 VanDerWaalsContact C-N 3.28Å; I190-H192 PolarHBondContact O-N 3.05Å; I190-A193 WeakPolarHBondContact O-CB 3.48Å; I190-A193 PolarHBondContact O-N 2.89Å; I190-A193 VanDerWaalsContact O-N 3.15Å; I190-E194 WeakPolarHBondContact O-CG 3.28Å; I190-E194 PolarHBondContact O-N 3.2Å
191Q96.2Very high95.8Very high78 Ų7859 Ų5936%0.36431%0.308SS..Hα-helixtrans-59.1-40.5177.5-72.4175.11300111.9A187 Y188 E194 R195A187-Q191 VanDerWaalsContact O-CG 3.31Å; A187-Q191 WeakPolarHBondContact O-CG 3.4Å; A187-Q191 PolarHBondContact O-N 3Å; Y188-Q191 PolarHBondContact O-N 2.72Å; Q191-E194 PolarHBondContact O-N 3.49Å; Q191-R195 VanDerWaalsContact O-CG 3.27Å; Q191-R195 WeakPolarHBondContact O-CG 3.46Å; Q191-R195 PolarHBondContact O-N 2.93Å
192H95Very high95.8Very high23 Ų2359.3 Ų59.311%0.10631%0.309CS..Hα-helixtrans-69.1-37.9177.6-173.959.3000112.3F40 L44 F47 Y188 E189 I190 E194 R195 I196F40-H192 HydrophobicContact CE2-CB 4.04Å; F40-H192 HydrophobicContact CZ-CB 3.82Å; L44-H192 WeakPolarHBondContact CD1-CE1 3.39Å; L44-H192 WeakPolarHBondContact CD1-ND1 3.35Å; F47-H192 AromaticContact CD1-CE1 3.94Å; F47-H192 AromaticContact CE1-CE1 3.94Å; Y188-H192 WeakPolarHBondContact O-CB 3.26Å; Y188-H192 PolarHBondContact O-N 3.1Å; E189-H192 PolarHBondContact O-N 2.88Å; I190-H192 VanDerWaalsContact C-N 3.28Å; I190-H192 PolarHBondContact O-N 3.05Å; H192-E194 VanDerWaalsContact C-N 3.3Å; H192-E194 PolarHBondContact O-N 3.08Å; H192-R195 WeakPolarHBondContact O-CB 3.49Å; H192-R195 PolarHBondContact O-N 3.27Å; H192-I196 WeakPolarHBondContact O-CG1 3.32Å; H192-I196 PolarHBondContact O-N 3.38Å
193A95.6Very high95.7Very high48 Ų4862.4 Ų62.440%0.39733%0.325SS..Hα-helixtrans-61.8-37.7173.500000112.3E189 I190 I196 K197E189-A193 WeakPolarHBondContact O-CB 3.45Å; E189-A193 PolarHBondContact O-N 3.17Å; I190-A193 WeakPolarHBondContact O-CB 3.48Å; I190-A193 PolarHBondContact O-N 2.89Å; I190-A193 VanDerWaalsContact O-N 3.15Å; A193-I196 PolarHBondContact O-N 2.89Å; A193-K197 PolarHBondContact O-N 3.37Å
194E96.8Very high95.9Very high105 Ų10561.1 Ų61.149%0.49132%0.318SS..Hα-helixtrans-63.9-43172.6-70.7173.4167.500111.7I190 Q191 H192 I196 K197 D198I190-E194 WeakPolarHBondContact O-CG 3.28Å; I190-E194 PolarHBondContact O-N 3.2Å; Q191-E194 PolarHBondContact O-N 3.49Å; H192-E194 VanDerWaalsContact C-N 3.3Å; H192-E194 PolarHBondContact O-N 3.08Å; E194-I196 VanDerWaalsContact C-N 3.27Å; E194-I196 PolarHBondContact O-N 3.26Å; E194-K197 WeakPolarHBondContact O-CA 3.5Å; E194-K197 WeakPolarHBondContact O-CB 3.3Å; E194-K197 PolarHBondContact O-N 2.93Å; E194-D198 PolarHBondContact O-N 3.45Å
195R94.6Very high95.9Very high37 Ų3762.4 Ų62.414%0.1433%0.325CS..Hα-helixtrans-61.7-34.7175.6-66.1166.1-159.9173.51.6112.7V114 P117 Q191 H192 K197 D198 A199V114-R195 HydrophobicContact CG1-CB 4.46Å; P117-R195 VanDerWaalsContact C-NH1 3.34Å; P117-R195 PolarHBondContact O-NH1 2.86Å; Q191-R195 VanDerWaalsContact O-CG 3.27Å; Q191-R195 WeakPolarHBondContact O-CG 3.46Å; Q191-R195 PolarHBondContact O-N 2.93Å; H192-R195 WeakPolarHBondContact O-CB 3.49Å; H192-R195 PolarHBondContact O-N 3.27Å; R195-K197 VanDerWaalsContact C-N 3.32Å; R195-D198 PolarHBondContact O-N 2.99Å; R195-A199 PolarHBondContact O-N 2.98Å
196I94Very high95.9Very high78 Ų7864.6 Ų64.640%0.433%0.334SS..Hα-helixtrans-64.8-39.3173.3-67.6169.9000110.4H192 A193 E194 A199 V200H192-I196 WeakPolarHBondContact O-CG1 3.32Å; H192-I196 PolarHBondContact O-N 3.38Å; A193-I196 PolarHBondContact O-N 2.89Å; E194-I196 VanDerWaalsContact C-N 3.27Å; E194-I196 PolarHBondContact O-N 3.26Å; I196-A199 WeakPolarHBondContact O-CB 3.41Å; I196-A199 PolarHBondContact O-N 3.4Å; I196-V200 WeakPolarHBondContact O-CG2 3.4Å; I196-V200 PolarHBondContact O-N 3.4Å; I196-V200 VanDerWaalsContact O-N 3.07Å
197K96.5Very high96Very high138 Ų13866 Ų6660%0.634%0.337SS*.Hα-helixtrans-64.1-44.4174.4-64.7173.1-176.7174.80111.2A193 E194 R195 A199 V200 D201A193-K197 PolarHBondContact O-N 3.37Å; E194-K197 WeakPolarHBondContact O-CA 3.5Å; E194-K197 WeakPolarHBondContact O-CB 3.3Å; E194-K197 PolarHBondContact O-N 2.93Å; R195-K197 VanDerWaalsContact C-N 3.32Å; K197-A199 VanDerWaalsContact C-N 3.26Å; K197-A199 PolarHBondContact O-N 3.41Å; K197-V200 WeakPolarHBondContact O-CB 3.5Å; K197-V200 PolarHBondContact O-N 2.85Å; K197-D201 PolarHBondContact O-N 3.48Å
198D95.2Very high96Very high65 Ų6569.4 Ų69.435%0.34834%0.343SS..Hα-helixtrans-56.8-42.6174.3-71.9-26.4000111.3E194 R195 V200 D201 I202E194-D198 PolarHBondContact O-N 3.45Å; R195-D198 PolarHBondContact O-N 2.99Å; D198-V200 VanDerWaalsContact C-N 3.31Å; D198-V200 PolarHBondContact O-N 3.17Å; D198-D201 PolarHBondContact O-N 2.96Å; D198-I202 WeakPolarHBondContact O-CB 3.11Å; D198-I202 VanDerWaalsContact O-CD1 3.24Å; D198-I202 WeakPolarHBondContact O-CD1 3.39Å; D198-I202 WeakPolarHBondContact O-CG1 3.32Å; D198-I202 PolarHBondContact O-N 2.98Å
199A94.6Very high95.9Very high10 Ų1071.8 Ų71.88%0.08336%0.357CS..Hα-helixtrans-58.1-43.7175.700000112M110 V114 R195 I196 K197 L203M110-A199 HydrophobicContact CE-CB 4.26Å; M110-A199 HydrophobicContact SD-CB 3.68Å; V114-A199 HydrophobicContact CG1-CB 4.22Å; V114-A199 HydrophobicContact CG2-CB 3.77Å; R195-A199 PolarHBondContact O-N 2.98Å; I196-A199 WeakPolarHBondContact O-CB 3.41Å; I196-A199 PolarHBondContact O-N 3.4Å; K197-A199 VanDerWaalsContact C-N 3.26Å; K197-A199 PolarHBondContact O-N 3.41Å; A199-L203 WeakPolarHBondContact O-CG 3.35Å; A199-L203 PolarHBondContact O-N 3.14Å; A199-L203 VanDerWaalsContact O-N 3.08Å
200V96.3Very high95.9Very high71 Ų7169.9 Ų69.943%0.4335%0.349SS..Hα-helixtrans-65.9-44.6177.9172.20000110.9I196 K197 D198 I202 L203 I204I196-V200 WeakPolarHBondContact O-CG2 3.4Å; I196-V200 PolarHBondContact O-N 3.4Å; I196-V200 VanDerWaalsContact O-N 3.07Å; K197-V200 WeakPolarHBondContact O-CB 3.5Å; K197-V200 PolarHBondContact O-N 2.85Å; D198-V200 VanDerWaalsContact C-N 3.31Å; D198-V200 PolarHBondContact O-N 3.17Å; V200-I202 VanDerWaalsContact C-N 3.34Å; V200-I202 PolarHBondContact O-N 3.48Å; V200-L203 WeakPolarHBondContact O-CB 3.38Å; V200-L203 PolarHBondContact O-N 2.97Å; V200-L203 VanDerWaalsContact O-N 3.17Å; V200-I204 HydrophobicContact CG1-CD1 3.8Å; V200-I204 HydrophobicContact CG1-CG1 4.35Å; V200-I204 WeakPolarHBondContact O-CG1 3.26Å; V200-I204 PolarHBondContact O-N 3.24Å
201D97.5Very high95.8Very high91 Ų9169.1 Ų69.149%0.48735%0.346SS..Hα-helixtrans-63.7-40.9179.1-73.4-23.1000111.8K197 D198 L203 I204 E205K197-D201 PolarHBondContact O-N 3.48Å; D198-D201 PolarHBondContact O-N 2.96Å; D201-L203 VanDerWaalsContact C-N 3.32Å; D201-L203 PolarHBondContact O-N 3.34Å; D201-I204 PolarHBondContact O-N 3.41Å; D201-E205 WeakPolarHBondContact O-CG 3.38Å; D201-E205 PolarHBondContact O-N 2.97Å
202I96Very high95.8Very high15 Ų1573.9 Ų73.98%0.07736%0.361CS..Hα-helixtrans-58.5-44.6173.6-70.3160.9000110.7L106 D109 M110 K113 V114 D198 V200 E205 Y206L106-I202 HydrophobicContact CD1-CG2 3.47Å; L106-I202 VanDerWaalsContact CD1-CG2 3.47Å; L106-I202 HydrophobicContact CG-CG2 4.4Å; D109-I202 HydrophobicContact CB-CD1 3.98Å; D109-I202 HydrophobicContact CB-CG1 4.07Å; D109-I202 HydrophobicContact CB-CG2 4.02Å; M110-I202 HydrophobicContact CE-CG2 4.44Å; K113-I202 HydrophobicContact CB-CD1 4.23Å; K113-I202 HydrophobicContact CD-CD1 3.94Å; V114-I202 HydrophobicContact CG2-CD1 4.33Å; D198-I202 WeakPolarHBondContact O-CB 3.11Å; D198-I202 VanDerWaalsContact O-CD1 3.24Å; D198-I202 WeakPolarHBondContact O-CD1 3.39Å; D198-I202 WeakPolarHBondContact O-CG1 3.32Å; D198-I202 PolarHBondContact O-N 2.98Å; V200-I202 VanDerWaalsContact C-N 3.34Å; V200-I202 PolarHBondContact O-N 3.48Å; I202-E205 PolarHBondContact O-N 3.35Å; I202-Y206 PolarHBondContact O-N 3.04Å; I202-Y206 VanDerWaalsContact O-N 3.1Å
203L95.7Very high95.7Very high66 Ų6676.4 Ų76.435%0.34637%0.371SS..Hα-helixtrans-65.1-42.6175.9-73.5166.7000112.1L106 M110 A199 V200 D201 E205 Y206 H207L106-L203 HydrophobicContact CD1-CD2 3.8Å; L106-L203 HydrophobicContact CD1-CG 4.33Å; L106-L203 HydrophobicContact CD2-CD2 4.4Å; M110-L203 HydrophobicContact CE-CD1 4.27Å; M110-L203 HydrophobicContact CE-CD2 4.25Å; M110-L203 HydrophobicContact CE-CG 3.96Å; A199-L203 WeakPolarHBondContact O-CG 3.35Å; A199-L203 PolarHBondContact O-N 3.14Å; A199-L203 VanDerWaalsContact O-N 3.08Å; V200-L203 WeakPolarHBondContact O-CB 3.38Å; V200-L203 PolarHBondContact O-N 2.97Å; V200-L203 VanDerWaalsContact O-N 3.17Å; D201-L203 VanDerWaalsContact C-N 3.32Å; D201-L203 PolarHBondContact O-N 3.34Å; L203-E205 VanDerWaalsContact C-N 3.34Å; L203-E205 PolarHBondContact O-N 2.84Å; L203-Y206 PolarHBondContact O-N 3.26Å; L203-H207 PolarHBondContact O-N 2.95Å; L203-H207 PolarHBondContact O-ND1 2.73Å
204I97.4Very high95.6Very high70 Ų7078.3 Ų78.336%0.35937%0.371SS..Hα-helixtrans-59.2-47.4178.1-73.3168.6000110.3V200 D201 Y206 H207 K208V200-I204 HydrophobicContact CG1-CD1 3.8Å; V200-I204 HydrophobicContact CG1-CG1 4.35Å; V200-I204 WeakPolarHBondContact O-CG1 3.26Å; V200-I204 PolarHBondContact O-N 3.24Å; D201-I204 PolarHBondContact O-N 3.41Å; I204-Y206 PolarHBondContact O-N 3.5Å; I204-H207 PolarHBondContact O-N 3.08Å; I204-K208 HydrophobicContact CG2-CD 4Å; I204-K208 VanDerWaalsContact CG2-CE 3.4Å; I204-K208 HydrophobicContact CG2-CG 4.33Å; I204-K208 WeakPolarHBondContact O-CB 3.3Å; I204-K208 WeakPolarHBondContact O-CG 3.47Å; I204-K208 PolarHBondContact O-N 3.26Å
205E96.4Very high95.5Very high110 Ų11081 Ų8151%0.51438%0.377SS..Hα-helixtrans-65.1-39.1-179-71-55.2119.900112.3D201 I202 L203 K208 L209D201-E205 WeakPolarHBondContact O-CG 3.38Å; D201-E205 PolarHBondContact O-N 2.97Å; I202-E205 PolarHBondContact O-N 3.35Å; L203-E205 VanDerWaalsContact C-N 3.34Å; L203-E205 PolarHBondContact O-N 2.84Å; E205-K208 WeakPolarHBondContact OE1-CD 3.24Å; E205-K208 IonicContact OE1-NZ 3.26Å; E205-K208 PolarHBondContact OE1-NZ 3.34Å; E205-L209 WeakPolarHBondContact O-CB 3.41Å; E205-L209 PolarHBondContact O-N 3.46Å; E205-L209 VanDerWaalsContact O-N 3.07Å
206Y95.5Very high95.4Very high47 Ų4782.8 Ų82.818%0.18439%0.388CS..Hα-helixtrans-58.6-52171.6168.3-101.9000111.8I99 A102 E103 L106 I202 L203 I204 K208 L209 A210I99-Y206 HydrophobicContact CG2-CE2 4.29Å; A102-Y206 HydrophobicContact CB-CD2 3.98Å; A102-Y206 HydrophobicContact CB-CE2 4.2Å; E103-Y206 HydrophobicContact CB-CE2 4.02Å; L106-Y206 HydrophobicContact CB-CD2 4.19Å; L106-Y206 HydrophobicContact CB-CG 4.33Å; L106-Y206 HydrophobicContact CD1-CG 4.15Å; L106-Y206 HydrophobicContact CD2-CD1 4.19Å; L106-Y206 HydrophobicContact CD2-CD2 4.34Å; L106-Y206 HydrophobicContact CD2-CG 4.09Å; L106-Y206 HydrophobicContact CG-CG 4.44Å; I202-Y206 PolarHBondContact O-N 3.04Å; I202-Y206 VanDerWaalsContact O-N 3.1Å; L203-Y206 PolarHBondContact O-N 3.26Å; I204-Y206 PolarHBondContact O-N 3.5Å; Y206-K208 PolarHBondContact O-N 3.31Å; Y206-L209 PolarHBondContact O-N 3.44Å; Y206-A210 PolarHBondContact O-N 3.48Å
207H96.2Very high95.3Very high112 Ų11282.2 Ų82.252%0.51938%0.381SS..Hα-helixtrans-65.9-37.9-177.5-72.492.7000112.4L203 I204 L209 A210 L211L203-H207 PolarHBondContact O-N 2.95Å; L203-H207 PolarHBondContact O-ND1 2.73Å; I204-H207 PolarHBondContact O-N 3.08Å; H207-L209 VanDerWaalsContact C-N 3.33Å; H207-L209 PolarHBondContact O-N 2.99Å; H207-A210 PolarHBondContact O-N 3.45Å; H207-L211 VanDerWaalsContact O-CB 3.3Å; H207-L211 WeakPolarHBondContact O-CB 3.37Å; H207-L211 PolarHBondContact O-N 3.26Å
208K96.7Very high95Very high121 Ų12182 Ų8253%0.52639%0.385SS..Hα-helixtrans-59.1-45.5173.3-78.3176.4-175.6165.10111.3I204 E205 Y206 R212I204-K208 HydrophobicContact CG2-CD 4Å; I204-K208 VanDerWaalsContact CG2-CE 3.4Å; I204-K208 HydrophobicContact CG2-CG 4.33Å; I204-K208 WeakPolarHBondContact O-CB 3.3Å; I204-K208 WeakPolarHBondContact O-CG 3.47Å; I204-K208 PolarHBondContact O-N 3.26Å; E205-K208 WeakPolarHBondContact OE1-CD 3.24Å; E205-K208 IonicContact OE1-NZ 3.26Å; E205-K208 PolarHBondContact OE1-NZ 3.34Å; Y206-K208 PolarHBondContact O-N 3.31Å; K208-R212 WeakPolarHBondContact O-CB 3.27Å; K208-R212 PolarHBondContact O-N 2.85Å
209L95.2Very high94.7Very high71 Ų7182.5 Ų82.537%0.37240%0.399SS..Hα-helixtrans-66.9-45.7179.6-174.3150000111.1A102 E205 Y206 H207 L211 R212 K213A102-L209 HydrophobicContact CB-CD1 4.48Å; A102-L209 HydrophobicContact CB-CD2 3.5Å; A102-L209 VanDerWaalsContact CB-CD2 3.5Å; A102-L209 HydrophobicContact CB-CG 4.48Å; E205-L209 WeakPolarHBondContact O-CB 3.41Å; E205-L209 PolarHBondContact O-N 3.46Å; E205-L209 VanDerWaalsContact O-N 3.07Å; Y206-L209 PolarHBondContact O-N 3.44Å; H207-L209 VanDerWaalsContact C-N 3.33Å; H207-L209 PolarHBondContact O-N 2.99Å; L209-L211 PolarHBondContact O-N 3.39Å; L209-R212 WeakPolarHBondContact O-CB 3.43Å; L209-R212 PolarHBondContact O-N 3.27Å; L209-K213 HydrophobicContact CD2-CG 3.99Å; L209-K213 WeakPolarHBondContact O-CG 3.26Å; L209-K213 PolarHBondContact O-N 2.95Å
210A94.5Very high93.5Very high9 Ų987.6 Ų87.67%0.07442%0.419CS..Hα-helixtrans-58.2-47.8176.900000111.7I99 Y206 H207 R212 K213 F214I99-A210 HydrophobicContact CD1-CB 4.35Å; I99-A210 HydrophobicContact CG1-CB 4.25Å; I99-A210 HydrophobicContact CG2-CB 4.43Å; Y206-A210 PolarHBondContact O-N 3.48Å; H207-A210 PolarHBondContact O-N 3.45Å; A210-R212 VanDerWaalsContact C-N 3.32Å; A210-R212 PolarHBondContact O-N 3.15Å; A210-K213 PolarHBondContact O-N 3.14Å; A210-K213 VanDerWaalsContact O-N 3.11Å; A210-F214 HydrophobicContact CB-CE2 4.44Å; A210-F214 WeakPolarHBondContact O-CD2 3.27Å; A210-F214 PolarHBondContact O-N 2.8Å
211L95.6Very high91.7Very high87 Ų8792.1 Ų92.146%0.45545%0.45SS..Hα-helixtrans-60.3-41.2176.6-177.163.3000112.1H207 L209 K213 F214 R215H207-L211 VanDerWaalsContact O-CB 3.3Å; H207-L211 WeakPolarHBondContact O-CB 3.37Å; H207-L211 PolarHBondContact O-N 3.26Å; L209-L211 PolarHBondContact O-N 3.39Å; L211-K213 VanDerWaalsContact C-N 3.32Å; L211-K213 PolarHBondContact O-N 3.18Å; L211-F214 PolarHBondContact O-N 2.98Å; L211-R215 WeakPolarHBondContact O-CG 3.48Å; L211-R215 PolarHBondContact O-N 3.29Å
212R95.5Very high91.4Very high178 Ų17892.2 Ų92.267%0.67245%0.448SS*.Hα-helixtrans-61.1-41.6175.3-177179.2178.3-177.80.5111.4K208 L209 A210 R215 I216K208-R212 WeakPolarHBondContact O-CB 3.27Å; K208-R212 PolarHBondContact O-N 2.85Å; L209-R212 WeakPolarHBondContact O-CB 3.43Å; L209-R212 PolarHBondContact O-N 3.27Å; A210-R212 VanDerWaalsContact C-N 3.32Å; A210-R212 PolarHBondContact O-N 3.15Å; R212-R215 PolarHBondContact O-N 2.8Å; R212-I216 HydrophobicContact CG-CD1 4.13Å; R212-I216 VanDerWaalsContact O-CG1 3.3Å; R212-I216 WeakPolarHBondContact O-CG1 3.43Å; R212-I216 PolarHBondContact O-N 2.91Å
213K94.5Very high91.1Very high75 Ų7596.2 Ų96.233%0.32647%0.468SS..Hα-helixtrans-65.4-44.3178.2-66.6-65.2178.9172.90111.8C95 A98 I99 L209 A210 L211 R215 I216 Y217C95-K213 VanDerWaalsContact SG-C 3.54Å; C95-K213 PolarHBondContact SG-O 3.1Å; A98-K213 HydrophobicContact CB-CD 3.81Å; A98-K213 HydrophobicContact CB-CG 4.15Å; I99-K213 HydrophobicContact CD1-CB 4.44Å; I99-K213 HydrophobicContact CG1-CB 4.18Å; L209-K213 HydrophobicContact CD2-CG 3.99Å; L209-K213 WeakPolarHBondContact O-CG 3.26Å; L209-K213 PolarHBondContact O-N 2.95Å; A210-K213 PolarHBondContact O-N 3.14Å; A210-K213 VanDerWaalsContact O-N 3.11Å; L211-K213 VanDerWaalsContact C-N 3.32Å; L211-K213 PolarHBondContact O-N 3.18Å; K213-R215 VanDerWaalsContact C-N 3.35Å; K213-R215 PolarHBondContact O-N 2.92Å; K213-I216 PolarHBondContact O-N 3.25Å; K213-Y217 PolarHBondContact O-N 3.1Å
214F93.9Very high90.9Very high88 Ų8897.9 Ų97.939%0.38647%0.474SS..Hα-helixtrans-61.8-40.8174.3-69.6-54.7000113I99 A210 L211 I216 Y217 I218I99-F214 HydrophobicContact CD1-CD1 4.23Å; I99-F214 HydrophobicContact CD1-CD2 4.17Å; I99-F214 HydrophobicContact CD1-CE1 3.63Å; I99-F214 HydrophobicContact CD1-CE2 3.57Å; I99-F214 HydrophobicContact CD1-CG 4.47Å; I99-F214 HydrophobicContact CD1-CZ 3.26Å; A210-F214 HydrophobicContact CB-CE2 4.44Å; A210-F214 WeakPolarHBondContact O-CD2 3.27Å; A210-F214 PolarHBondContact O-N 2.8Å; L211-F214 PolarHBondContact O-N 2.98Å; F214-I216 VanDerWaalsContact C-N 3.32Å; F214-I216 PolarHBondContact O-N 3.39Å; F214-Y217 PolarHBondContact O-N 3.36Å; F214-I218 VanDerWaalsContact O-CG1 3.32Å; F214-I218 WeakPolarHBondContact O-CG1 3.23Å; F214-I218 PolarHBondContact O-N 3.06Å
215R94.5Very high90.5Very high163 Ų16399.5 Ų99.562%0.61548%0.481SS*.Hα-helixtrans-62.9-39.2175.8-76177.4178173.5-0.4112.6L211 R212 K213 A219L211-R215 WeakPolarHBondContact O-CG 3.48Å; L211-R215 PolarHBondContact O-N 3.29Å; R212-R215 PolarHBondContact O-N 2.8Å; K213-R215 VanDerWaalsContact C-N 3.35Å; K213-R215 PolarHBondContact O-N 2.92Å; R215-A219 VanDerWaalsContact O-CB 3.3Å; R215-A219 WeakPolarHBondContact O-CB 3.41Å; R215-A219 PolarHBondContact O-N 2.75Å; R215-A219 VanDerWaalsContact O-N 3.08Å
216I92Very high90.1Very high74 Ų7498.9 Ų98.938%0.37948%0.479SS..Hα-helixtrans-62.4-47.8175-70.7165.2000109.7R212 K213 F214 I218 A219 F220R212-I216 HydrophobicContact CG-CD1 4.13Å; R212-I216 VanDerWaalsContact O-CG1 3.3Å; R212-I216 WeakPolarHBondContact O-CG1 3.43Å; R212-I216 PolarHBondContact O-N 2.91Å; K213-I216 PolarHBondContact O-N 3.25Å; F214-I216 VanDerWaalsContact C-N 3.32Å; F214-I216 PolarHBondContact O-N 3.39Å; I216-I218 PolarHBondContact O-N 2.73Å; I216-A219 PolarHBondContact O-N 2.88Å; I216-F220 HydrophobicContact CG2-CD2 4.11Å; I216-F220 HydrophobicContact CG2-CE2 3.56Å; I216-F220 WeakPolarHBondContact O-CD2 3.43Å; I216-F220 PolarHBondContact O-N 3.08Å
217Y90.7Very high89.8Confident65 Ų65102.3 Ų102.326%0.25550%0.499SS..Hα-helixtrans-57.2-49.6176.9168.8-103.8000112.7N91 L92 K213 F214 A219 F220N91-Y217 HydrophobicContact CB-CD2 4.03Å; N91-Y217 HydrophobicContact CB-CE2 4.18Å; L92-Y217 HydrophobicContact CB-CD2 4.18Å; L92-Y217 HydrophobicContact CB-CE2 3.54Å; L92-Y217 HydrophobicContact CD1-CD1 4.19Å; L92-Y217 HydrophobicContact CD1-CD2 4.32Å; L92-Y217 HydrophobicContact CD1-CE1 3.91Å; L92-Y217 HydrophobicContact CD1-CE2 4.05Å; L92-Y217 HydrophobicContact CD1-CG 4.39Å; L92-Y217 HydrophobicContact CG-CE2 4.33Å; K213-Y217 PolarHBondContact O-N 3.1Å; F214-Y217 PolarHBondContact O-N 3.36Å; Y217-A219 PolarHBondContact O-N 3.26Å; Y217-F220 PolarHBondContact O-N 2.87Å; Y217-F220 VanDerWaalsContact O-N 3.08Å
218I91Very high89.3Confident133 Ų133101.6 Ų101.668%0.68250%0.497SS*.Hα-helixtrans-63.8-28.6-180-66.5166000112F214 I216 F220F214-I218 VanDerWaalsContact O-CG1 3.32Å; F214-I218 WeakPolarHBondContact O-CG1 3.23Å; F214-I218 PolarHBondContact O-N 3.06Å; I216-I218 PolarHBondContact O-N 2.73Å; I218-F220 VanDerWaalsContact C-N 3.27Å; I218-F220 PolarHBondContact O-N 3.15Å
219A88.4Confident88.7Confident77 Ų77100.2 Ų100.264%0.63650%0.495SS*.THydrogen-bonded Turntrans-79.4-7.5178.500000113.6R215 I216 Y217 P221R215-A219 VanDerWaalsContact O-CB 3.3Å; R215-A219 WeakPolarHBondContact O-CB 3.41Å; R215-A219 PolarHBondContact O-N 2.75Å; R215-A219 VanDerWaalsContact O-N 3.08Å; I216-A219 PolarHBondContact O-N 2.88Å; Y217-A219 PolarHBondContact O-N 3.26Å; A219-P221 VanDerWaalsContact O-CD 3.24Å; A219-P221 WeakPolarHBondContact O-CD 3.47Å
220F70.5Confident88.2Confident117 Ų117102.6 Ų102.651%0.51351%0.506SS..  trans-86.5110169.1-79.1-75.8000109I216 Y217 I218I216-F220 HydrophobicContact CG2-CD2 4.11Å; I216-F220 HydrophobicContact CG2-CE2 3.56Å; I216-F220 WeakPolarHBondContact O-CD2 3.43Å; I216-F220 PolarHBondContact O-N 3.08Å; Y217-F220 PolarHBondContact O-N 2.87Å; Y217-F220 VanDerWaalsContact O-N 3.08Å; I218-F220 VanDerWaalsContact C-N 3.27Å; I218-F220 PolarHBondContact O-N 3.15Å
221P57.5Low87.6Confident165 Ų165111.1 Ų111.1100%1.07155%0.545SS*.  trans-75.10169.233.9-34.4000111.7A219A219-P221 VanDerWaalsContact O-CD 3.24Å; A219-P221 WeakPolarHBondContact O-CD 3.47Å

Retrieved 221 of 221 residues in 155.9 ms (Link to these results)

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