A0A077ZHD7_TRITR Loading...

Ribosomal S30AE and Y2 Tnp domain containing prot ein

AlphaFold DB , UniProt , Accession A0A077ZHD7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 474 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
1M67.7Low80.1Confident169 Ų16988.4 Ų88.483%0.83345%0.445SS*.  01380-159.8167-177.900107.5M8M1-M8 HydrophobicContact CB-CB 4.26Å; M1-M8 HydrophobicContact CB-CE 3.62Å; M1-M8 HydrophobicContact CG-CE 4.43Å; M1-M8 PolarHBondContact N-O 3.19Å; M1-M8 PolarHBondContact O-N 3.16Å; M1-M8 HydrophobicContact SD-CE 3.96Å
2Y76.1Confident80.3Confident156 Ų15688.7 Ų88.761%0.61245%0.446SS*.BIsolated β-bridgetrans-127.5122.7-179.7171.8-105.4000106.6V7 I26Y2-V7 HydrophobicContact CD2-CG2 4.14Å; Y2-I26 HydrophobicContact CD2-CD1 4.5Å; Y2-I26 HydrophobicContact CE2-CD1 3.47Å; Y2-I26 VanDerWaalsContact CE2-CD1 3.47Å; Y2-I26 HydrophobicContact CE2-CG1 3.82Å
3D75.8Confident80.2Confident108 Ų10884.3 Ų84.358%0.57843%0.425SS*.  trans-113.62.5-174.361.67.3000113.4D5 T6D3-D5 PolarHBondContact OD1-N 3.29Å; D3-D5 VanDerWaalsContact OD1-N 3.16Å; D3-T6 VanDerWaalsContact CG-OG1 3.27Å; D3-T6 PolarHBondContact N-O 3.46Å; D3-T6 WeakPolarHBondContact OD1-CA 3.48Å; D3-T6 PolarHBondContact OD1-N 3Å; D3-T6 VanDerWaalsContact OD1-O 3.13Å; D3-T6 PolarHBondContact OD1-OG1 3.45Å; D3-T6 VanDerWaalsContact OD1-OG1 3.08Å; D3-T6 PolarHBondContact OD2-OG1 3.46Å
4G75.1Confident79.8Confident32 Ų3292.5 Ų92.533%0.3346%0.456SS..SBendtrans104.3-22.6179.400000114.2I26G4-I26 WeakPolarHBondContact O-CD1 3.4Å
5D77.2Confident79.7Confident131 Ų131101.8 Ų101.870%0.70148%0.484SS*.SBendtrans-123.5-27.8178.7-70.6-31.3000112.5D3 I26D3-D5 PolarHBondContact OD1-N 3.29Å; D3-D5 VanDerWaalsContact OD1-N 3.16Å; D5-I26 WeakPolarHBondContact O-CG1 3.28Å; D5-I26 PolarHBondContact O-N 3.31Å
6T83.3Confident79.8Confident43 Ų43100.2 Ų100.226%0.26448%0.483SS..EExtended strand (participates in β ladder)trans-130.4156.4-176.778.30000113D3 M24D3-T6 VanDerWaalsContact CG-OG1 3.27Å; D3-T6 PolarHBondContact N-O 3.46Å; D3-T6 WeakPolarHBondContact OD1-CA 3.48Å; D3-T6 PolarHBondContact OD1-N 3Å; D3-T6 VanDerWaalsContact OD1-O 3.13Å; D3-T6 PolarHBondContact OD1-OG1 3.45Å; D3-T6 VanDerWaalsContact OD1-OG1 3.08Å; D3-T6 PolarHBondContact OD2-OG1 3.46Å; T6-M24 CarbonylContact C-O 3.59Å; T6-M24 WeakPolarHBondContact CA-O 3.29Å
7V84.5Confident79.8Confident18 Ų18102.2 Ų102.211%0.10950%0.497CS..EExtended strand (participates in β ladder)trans-120.6117.2175.5-175.20000108.2Y2 F9 T23 M24 I26 F29Y2-V7 HydrophobicContact CD2-CG2 4.14Å; V7-F9 HydrophobicContact CG1-CD1 4.3Å; V7-T23 WeakPolarHBondContact O-CA 3.47Å; V7-M24 PolarHBondContact N-O 3.46Å; V7-M24 PolarHBondContact O-N 2.9Å; V7-I26 HydrophobicContact CG2-CG1 4.07Å; V7-F29 HydrophobicContact CB-CB 4.13Å; V7-F29 HydrophobicContact CB-CD1 4.34Å; V7-F29 HydrophobicContact CB-CD2 4.19Å; V7-F29 HydrophobicContact CB-CG 3.97Å; V7-F29 HydrophobicContact CG1-CD1 4.1Å; V7-F29 HydrophobicContact CG1-CD2 3.82Å; V7-F29 HydrophobicContact CG1-CE1 4.16Å; V7-F29 HydrophobicContact CG1-CE2 3.9Å; V7-F29 HydrophobicContact CG1-CG 3.93Å; V7-F29 HydrophobicContact CG1-CZ 4.07Å; V7-F29 HydrophobicContact CG2-CB 3.98Å; V7-F29 HydrophobicContact CG2-CD1 3.93Å; V7-F29 HydrophobicContact CG2-CG 3.94Å
8M86.9Confident79.7Confident74 Ų74100.4 Ų100.437%0.36549%0.493SS..EExtended strand (participates in β ladder)trans-102.6123.1170.9-175176.959.700110M1 T21 M22 T23M1-M8 HydrophobicContact CB-CB 4.26Å; M1-M8 HydrophobicContact CB-CE 3.62Å; M1-M8 HydrophobicContact CG-CE 4.43Å; M1-M8 PolarHBondContact N-O 3.19Å; M1-M8 PolarHBondContact O-N 3.16Å; M1-M8 HydrophobicContact SD-CE 3.96Å; M8-T21 HydrophobicContact CG-CG2 3.63Å; M8-T21 HydrophobicContact SD-CG2 3.83Å; M8-M22 CarbonylContact C-O 3.6Å; M8-M22 VanDerWaalsContact CA-O 3.32Å; M8-M22 WeakPolarHBondContact CA-O 3.49Å; M8-T23 HydrophobicContact CB-CG2 4.41Å; M8-T23 WeakPolarHBondContact CG-OG1 3.17Å
9F85.8Confident80.1Confident61 Ų61103.3 Ų103.327%0.26850%0.503SS..EExtended strand (participates in β ladder)trans-137.6150.9178.764.3-85.5000111.8V7 Y11 M22 M24 F29V7-F9 HydrophobicContact CG1-CD1 4.3Å; F9-Y11 HydrophobicContact CD2-CD1 4.39Å; F9-Y11 AromaticContact CE2-CD1 3.93Å; F9-Y11 HydrophobicContact CE2-CD1 3.93Å; F9-Y11 HydrophobicContact CE2-CG 4.37Å; F9-M22 HydrophobicContact CE1-CB 4.01Å; F9-M22 HydrophobicContact CE1-CG 4.33Å; F9-M22 HydrophobicContact CE1-SD 4.47Å; F9-M22 HydrophobicContact CE2-CB 4.05Å; F9-M22 HydrophobicContact CZ-CB 3.73Å; F9-M22 HydrophobicContact CZ-CG 4.08Å; F9-M22 HydrophobicContact CZ-SD 3.79Å; F9-M22 PolarHBondContact N-O 3.36Å; F9-M22 PolarHBondContact O-N 3.47Å; F9-M24 HydrophobicContact CE1-CE 3.49Å; F9-M24 VanDerWaalsContact CE1-CE 3.49Å; F9-M24 HydrophobicContact CE1-CG 4.11Å; F9-M24 HydrophobicContact CE1-SD 3.77Å; F9-M24 HydrophobicContact CZ-CE 3.58Å; F9-M24 HydrophobicContact CZ-SD 4.31Å; F9-F29 HydrophobicContact CD1-CD2 4.01Å; F9-F29 AromaticContact CD1-CE2 3.88Å; F9-F29 HydrophobicContact CD1-CE2 3.88Å; F9-F29 AromaticContact CE1-CD2 3.86Å; F9-F29 HydrophobicContact CE1-CD2 3.86Å; F9-F29 HydrophobicContact CE1-CE2 4.05Å; F9-F29 HydrophobicContact CG-CE2 4.43Å
10N85Confident80.4Confident96 Ų96101.1 Ų101.151%0.51349%0.492SS..EExtended strand (participates in β ladder)trans-96.9135.1174-61.6-29.4000108.9E20 T21N10-E20 CarbonylContact C-O 3.45Å; N10-E20 WeakPolarHBondContact CA-O 3.38Å; N10-T21 WeakPolarHBondContact OD1-CG2 3.4Å; N10-T21 PolarHBondContact OD1-OG1 2.88Å
11Y83.4Confident80.8Confident84 Ų84100.4 Ų100.433%0.32949%0.494SS..EExtended strand (participates in β ladder)trans-134.2165.2172.375.6-78000110.6F9 D13 E20 M22F9-Y11 HydrophobicContact CD2-CD1 4.39Å; F9-Y11 AromaticContact CE2-CD1 3.93Å; F9-Y11 HydrophobicContact CE2-CD1 3.93Å; F9-Y11 HydrophobicContact CE2-CG 4.37Å; Y11-D13 HydrophobicContact CD2-CB 4.46Å; Y11-D13 HydrophobicContact CE2-CB 3.77Å; Y11-E20 HydrophobicContact CD1-CB 4.21Å; Y11-E20 WeakPolarHBondContact CD1-O 3.38Å; Y11-E20 HydrophobicContact CE1-CB 3.64Å; Y11-E20 PolarHBondContact N-O 2.94Å; Y11-E20 PolarHBondContact O-N 3.26Å; Y11-E20 PolarHBondContact OH-OE2 3.41Å; Y11-M22 HydrophobicContact CD1-CB 4.23Å; Y11-M22 HydrophobicContact CE1-CB 3.95Å; Y11-M22 HydrophobicContact CE1-SD 4.44Å
12M82.4Confident81.7Confident92 Ų9296.2 Ų96.245%0.45347%0.473SS..EExtended strand (participates in β ladder)trans-102.9104.4179.5-158.859.2-116.600107.2K14 N17 T18 K19M12-K14 PolarHBondContact O-N 3.34Å; M12-N17 WeakPolarHBondContact CE-O 3.45Å; M12-T18 VanDerWaalsContact CE-CA 3.45Å; M12-T18 WeakPolarHBondContact CE-O 3.47Å; M12-K19 HydrophobicContact SD-CB 4.24Å
13D79.7Confident82.3Confident32 Ų3292.7 Ų92.717%0.17147%0.468CS..  trans-71.2118.8177.4-176.81.8000108.6Y11 R15 T16 N17 T18 E20Y11-D13 HydrophobicContact CD2-CB 4.46Å; Y11-D13 HydrophobicContact CE2-CB 3.77Å; D13-R15 PolarHBondContact O-N 3.29Å; D13-R15 WeakPolarHBondContact OD1-CB 3.35Å; D13-R15 WeakPolarHBondContact OD1-CG 3.25Å; D13-R15 PolarHBondContact OD1-N 3.16Å; D13-T16 VanDerWaalsContact CB-OG1 3.29Å; D13-T16 WeakPolarHBondContact CB-OG1 3.33Å; D13-T16 PolarHBondContact OD2-OG1 3.1Å; D13-N17 WeakPolarHBondContact O-CA 3.47Å; D13-N17 PolarHBondContact O-N 2.84Å; D13-T18 PolarHBondContact N-O 3.4Å; D13-E20 HydrophobicContact CB-CG 4.46Å
14K75Confident82.8Confident199 Ų19988.5 Ų88.587%0.86545%0.445SS*.THydrogen-bonded Turntrans-70.9-13.9-179.4-61.8-174.7179.3-176.60112.8M12M12-K14 PolarHBondContact O-N 3.34Å
15R77.4Confident83.5Confident232 Ų23289.1 Ų89.188%0.87544%0.444SS*.THydrogen-bonded Turntrans-86.6-40.8-179.7-56.9-18082.1178.53.2111.8D13D13-R15 PolarHBondContact O-N 3.29Å; D13-R15 WeakPolarHBondContact OD1-CB 3.35Å; D13-R15 WeakPolarHBondContact OD1-CG 3.25Å; D13-R15 PolarHBondContact OD1-N 3.16Å
16T81.5Confident83.5Confident76 Ų7684.8 Ų84.847%0.46642%0.42SS..THydrogen-bonded Turntrans-101.6-14.5-176.851.70000112.5D13 T18 E20D13-T16 VanDerWaalsContact CB-OG1 3.29Å; D13-T16 WeakPolarHBondContact CB-OG1 3.33Å; D13-T16 PolarHBondContact OD2-OG1 3.1Å; T16-T18 VanDerWaalsContact CB-OG1 3.29Å; T16-T18 WeakPolarHBondContact CB-OG1 3.45Å; T16-T18 PolarHBondContact O-N 3.1Å; T16-T18 PolarHBondContact OG1-OG1 3.38Å; T16-E20 PolarHBondContact OG1-OE1 3.09Å
17N79.2Confident83.1Confident134 Ų13488.8 Ų88.872%0.71744%0.44SS*.  trans54.228.5-173.5-148.632.1000112.5M12 D13M12-N17 WeakPolarHBondContact CE-O 3.45Å; D13-N17 WeakPolarHBondContact O-CA 3.47Å; D13-N17 PolarHBondContact O-N 2.84Å
18T79.6Confident82.8Confident70 Ų7093.4 Ų93.443%0.42946%0.461SS..  trans-112.1143.2177.249.50000111.6M12 D13 T16 E20M12-T18 VanDerWaalsContact CE-CA 3.45Å; M12-T18 WeakPolarHBondContact CE-O 3.47Å; D13-T18 PolarHBondContact N-O 3.4Å; T16-T18 VanDerWaalsContact CB-OG1 3.29Å; T16-T18 WeakPolarHBondContact CB-OG1 3.45Å; T16-T18 PolarHBondContact O-N 3.1Å; T16-T18 PolarHBondContact OG1-OG1 3.38Å; T18-E20 PolarHBondContact O-N 3Å
19K86.7Confident82.5Confident156 Ų15692.8 Ų92.868%0.67846%0.456SS*.EExtended strand (participates in β ladder)trans-74.7115.7176.6-171.6178.4-178.4-179.50107.7M12M12-K19 HydrophobicContact SD-CB 4.24Å
20E86.7Confident81.8Confident59 Ų5993.8 Ų93.828%0.27646%0.463SS..EExtended strand (participates in β ladder)trans-112.3141.7-176.8-71.5-178.9-165.300110.5N10 Y11 D13 T16 T18N10-E20 CarbonylContact C-O 3.45Å; N10-E20 WeakPolarHBondContact CA-O 3.38Å; Y11-E20 HydrophobicContact CD1-CB 4.21Å; Y11-E20 WeakPolarHBondContact CD1-O 3.38Å; Y11-E20 HydrophobicContact CE1-CB 3.64Å; Y11-E20 PolarHBondContact N-O 2.94Å; Y11-E20 PolarHBondContact O-N 3.26Å; Y11-E20 PolarHBondContact OH-OE2 3.41Å; D13-E20 HydrophobicContact CB-CG 4.46Å; T16-E20 PolarHBondContact OG1-OE1 3.09Å; T18-E20 PolarHBondContact O-N 3Å
21T88.7Confident81.1Confident87 Ų8791.2 Ų91.253%0.53446%0.455SS..EExtended strand (participates in β ladder)trans-103.5123.8175.5-52.80000108.1M8 N10M8-T21 HydrophobicContact CG-CG2 3.63Å; M8-T21 HydrophobicContact SD-CG2 3.83Å; N10-T21 WeakPolarHBondContact OD1-CG2 3.4Å; N10-T21 PolarHBondContact OD1-OG1 2.88Å
22M85.1Confident80.5Confident81 Ų8188.5 Ų88.540%0.39945%0.451SS..EExtended strand (participates in β ladder)trans-117.1132.6178.1-162.7173-173.400109.9M8 F9 Y11 M24M8-M22 CarbonylContact C-O 3.6Å; M8-M22 VanDerWaalsContact CA-O 3.32Å; M8-M22 WeakPolarHBondContact CA-O 3.49Å; F9-M22 HydrophobicContact CE1-CB 4.01Å; F9-M22 HydrophobicContact CE1-CG 4.33Å; F9-M22 HydrophobicContact CE1-SD 4.47Å; F9-M22 HydrophobicContact CE2-CB 4.05Å; F9-M22 HydrophobicContact CZ-CB 3.73Å; F9-M22 HydrophobicContact CZ-CG 4.08Å; F9-M22 HydrophobicContact CZ-SD 3.79Å; F9-M22 PolarHBondContact N-O 3.36Å; F9-M22 PolarHBondContact O-N 3.47Å; Y11-M22 HydrophobicContact CD1-CB 4.23Å; Y11-M22 HydrophobicContact CE1-CB 3.95Å; Y11-M22 HydrophobicContact CE1-SD 4.44Å; M22-M24 HydrophobicContact CE-CE 3.34Å; M22-M24 HydrophobicContact CG-CE 3.78Å; M22-M24 HydrophobicContact SD-CE 3.24Å; M22-M24 WeakPolarHBondContact SD-CE 3.27Å
23T89.7Confident79.9Confident82 Ų8288.1 Ų88.150%0.50345%0.45SS..EExtended strand (participates in β ladder)trans-116.6129172.4-52.60000107.9V7 M8V7-T23 WeakPolarHBondContact O-CA 3.47Å; M8-T23 HydrophobicContact CB-CG2 4.41Å; M8-T23 WeakPolarHBondContact CG-OG1 3.17Å
24M87Confident78.6Confident19 Ų1990.4 Ų90.49%0.09446%0.461CS..EExtended strand (participates in β ladder)trans-145163.5178.961-177.657.200110.3T6 V7 F9 M22 E28 F29T6-M24 CarbonylContact C-O 3.59Å; T6-M24 WeakPolarHBondContact CA-O 3.29Å; V7-M24 PolarHBondContact N-O 3.46Å; V7-M24 PolarHBondContact O-N 2.9Å; F9-M24 HydrophobicContact CE1-CE 3.49Å; F9-M24 VanDerWaalsContact CE1-CE 3.49Å; F9-M24 HydrophobicContact CE1-CG 4.11Å; F9-M24 HydrophobicContact CE1-SD 3.77Å; F9-M24 HydrophobicContact CZ-CE 3.58Å; F9-M24 HydrophobicContact CZ-SD 4.31Å; M22-M24 HydrophobicContact CE-CE 3.34Å; M22-M24 HydrophobicContact CG-CE 3.78Å; M22-M24 HydrophobicContact SD-CE 3.24Å; M22-M24 WeakPolarHBondContact SD-CE 3.27Å; M24-E28 HydrophobicContact CB-CB 4.06Å; M24-E28 HydrophobicContact CG-CB 4.4Å; M24-E28 HydrophobicContact SD-CB 4.35Å; M24-F29 HydrophobicContact CG-CB 3.88Å; M24-F29 HydrophobicContact CG-CD2 4.44Å; M24-F29 WeakPolarHBondContact SD-CA 3.39Å; M24-F29 HydrophobicContact SD-CB 3.72Å; M24-F29 HydrophobicContact SD-CD2 3.9Å; M24-F29 HydrophobicContact SD-CG 4.32Å; M24-F29 PolarHBondContact SD-N 2.91Å
25S88.1Confident77.8Confident45 Ų4590.3 Ų90.332%0.31546%0.456SS..EExtended strand (participates in β ladder)trans-64.9158.1174.272.30000110.9D27 E28 F29S25-D27 PolarHBondContact O-N 2.75Å; S25-E28 PolarHBondContact N-OE2 3.41Å; S25-E28 PolarHBondContact O-N 3.06Å; S25-E28 WeakPolarHBondContact OG-CB 3.44Å; S25-E28 WeakPolarHBondContact OG-CG 3.4Å; S25-E28 PolarHBondContact OG-N 3.01Å; S25-E28 VanDerWaalsContact OG-N 3.14Å; S25-F29 WeakPolarHBondContact O-CB 3.41Å; S25-F29 PolarHBondContact O-N 3.46Å
26I77.6Confident76.5Confident40 Ų4087.2 Ų87.221%0.20545%0.451CS..Hα-helixtrans-55.8-41.3175-68.9165.4000111.1Y2 G4 D5 V7 F29 I30Y2-I26 HydrophobicContact CD2-CD1 4.5Å; Y2-I26 HydrophobicContact CE2-CD1 3.47Å; Y2-I26 VanDerWaalsContact CE2-CD1 3.47Å; Y2-I26 HydrophobicContact CE2-CG1 3.82Å; G4-I26 WeakPolarHBondContact O-CD1 3.4Å; D5-I26 WeakPolarHBondContact O-CG1 3.28Å; D5-I26 PolarHBondContact O-N 3.31Å; V7-I26 HydrophobicContact CG2-CG1 4.07Å; I26-F29 PolarHBondContact O-N 3.36Å; I26-I30 HydrophobicContact CG2-CD1 3.58Å; I26-I30 HydrophobicContact CG2-CG1 4.28Å; I26-I30 WeakPolarHBondContact O-CB 3.41Å; I26-I30 VanDerWaalsContact O-CG1 3.25Å; I26-I30 WeakPolarHBondContact O-CG1 3.39Å; I26-I30 PolarHBondContact O-N 3.31Å
27D76Confident74.8Confident128 Ų12886.4 Ų86.468%0.68444%0.443SS*.Hα-helixtrans-64.3-42.4179.6-70.6-23.5000112S25 A31S25-D27 PolarHBondContact O-N 2.75Å; D27-A31 WeakPolarHBondContact O-CB 3.42Å; D27-A31 PolarHBondContact O-N 2.84Å
28E76.9Confident73Confident114 Ų11486.6 Ų86.653%0.53344%0.439SS..Hα-helixtrans-66.5-40.6175.9-76.2-179.5152.300112M24 S25 A31 A32M24-E28 HydrophobicContact CB-CB 4.06Å; M24-E28 HydrophobicContact CG-CB 4.4Å; M24-E28 HydrophobicContact SD-CB 4.35Å; S25-E28 PolarHBondContact N-OE2 3.41Å; S25-E28 PolarHBondContact O-N 3.06Å; S25-E28 WeakPolarHBondContact OG-CB 3.44Å; S25-E28 WeakPolarHBondContact OG-CG 3.4Å; S25-E28 PolarHBondContact OG-N 3.01Å; S25-E28 VanDerWaalsContact OG-N 3.14Å; E28-A31 PolarHBondContact O-N 3.36Å; E28-A32 VanDerWaalsContact O-CB 3.32Å; E28-A32 WeakPolarHBondContact O-CB 3.43Å; E28-A32 PolarHBondContact O-N 2.93Å
29F81.5Confident71.5Confident62 Ų6290 Ų9027%0.27246%0.455SS..Hα-helixtrans-62.7-48.2176.3-176.4-107.6000111.5V7 F9 M24 S25 I26 A31 A32 L33V7-F29 HydrophobicContact CB-CB 4.13Å; V7-F29 HydrophobicContact CB-CD1 4.34Å; V7-F29 HydrophobicContact CB-CD2 4.19Å; V7-F29 HydrophobicContact CB-CG 3.97Å; V7-F29 HydrophobicContact CG1-CD1 4.1Å; V7-F29 HydrophobicContact CG1-CD2 3.82Å; V7-F29 HydrophobicContact CG1-CE1 4.16Å; V7-F29 HydrophobicContact CG1-CE2 3.9Å; V7-F29 HydrophobicContact CG1-CG 3.93Å; V7-F29 HydrophobicContact CG1-CZ 4.07Å; V7-F29 HydrophobicContact CG2-CB 3.98Å; V7-F29 HydrophobicContact CG2-CD1 3.93Å; V7-F29 HydrophobicContact CG2-CG 3.94Å; F9-F29 HydrophobicContact CD1-CD2 4.01Å; F9-F29 AromaticContact CD1-CE2 3.88Å; F9-F29 HydrophobicContact CD1-CE2 3.88Å; F9-F29 AromaticContact CE1-CD2 3.86Å; F9-F29 HydrophobicContact CE1-CD2 3.86Å; F9-F29 HydrophobicContact CE1-CE2 4.05Å; F9-F29 HydrophobicContact CG-CE2 4.43Å; M24-F29 HydrophobicContact CG-CB 3.88Å; M24-F29 HydrophobicContact CG-CD2 4.44Å; M24-F29 WeakPolarHBondContact SD-CA 3.39Å; M24-F29 HydrophobicContact SD-CB 3.72Å; M24-F29 HydrophobicContact SD-CD2 3.9Å; M24-F29 HydrophobicContact SD-CG 4.32Å; M24-F29 PolarHBondContact SD-N 2.91Å; S25-F29 WeakPolarHBondContact O-CB 3.41Å; S25-F29 PolarHBondContact O-N 3.46Å; I26-F29 PolarHBondContact O-N 3.36Å; F29-A31 PolarHBondContact O-N 2.84Å; F29-A32 PolarHBondContact O-N 3.16Å; F29-L33 HydrophobicContact CD1-CD1 3.81Å; F29-L33 HydrophobicContact CE1-CD1 3.25Å; F29-L33 HydrophobicContact CE2-CD1 4.2Å; F29-L33 HydrophobicContact CG-CD1 4.49Å; F29-L33 HydrophobicContact CZ-CD1 3.47Å; F29-L33 VanDerWaalsContact CZ-CD1 3.47Å; F29-L33 WeakPolarHBondContact O-CB 3.12Å; F29-L33 PolarHBondContact O-N 3.04Å
30I71.2Confident69.4Low81 Ų8191 Ų9142%0.41546%0.459SS..Hα-helixtrans-62.7-43.8176.5-69171.7000110.2I26 A32 L33 I34I26-I30 HydrophobicContact CG2-CD1 3.58Å; I26-I30 HydrophobicContact CG2-CG1 4.28Å; I26-I30 WeakPolarHBondContact O-CB 3.41Å; I26-I30 VanDerWaalsContact O-CG1 3.25Å; I26-I30 WeakPolarHBondContact O-CG1 3.39Å; I26-I30 PolarHBondContact O-N 3.31Å; I30-A32 VanDerWaalsContact C-N 3.33Å; I30-A32 PolarHBondContact O-N 3.14Å; I30-L33 WeakPolarHBondContact O-CB 3.35Å; I30-L33 PolarHBondContact O-N 3.4Å; I30-I34 HydrophobicContact CG2-CD1 3.59Å; I30-I34 HydrophobicContact CG2-CG1 4.2Å; I30-I34 WeakPolarHBondContact O-CB 3.49Å; I30-I34 WeakPolarHBondContact O-CG1 3.41Å; I30-I34 PolarHBondContact O-N 3.05Å
31A70.7Confident67.4Low42 Ų4292.9 Ų92.935%0.34747%0.471SS..Hα-helixtrans-63.8-35.9176.900000112.8D27 E28 F29 R35D27-A31 WeakPolarHBondContact O-CB 3.42Å; D27-A31 PolarHBondContact O-N 2.84Å; E28-A31 PolarHBondContact O-N 3.36Å; F29-A31 PolarHBondContact O-N 2.84Å; A31-R35 WeakPolarHBondContact O-CB 3.31Å; A31-R35 WeakPolarHBondContact O-CG 3.5Å; A31-R35 PolarHBondContact O-N 3.26Å; A31-R35 PolarHBondContact O-NE 2.86Å
32A70.8Confident65.2Low28 Ų2893.1 Ų93.123%0.23147%0.465CS..Hα-helixtrans-68.7-40.9173.500000112E28 F29 I30 R35 H36E28-A32 VanDerWaalsContact O-CB 3.32Å; E28-A32 WeakPolarHBondContact O-CB 3.43Å; E28-A32 PolarHBondContact O-N 2.93Å; F29-A32 PolarHBondContact O-N 3.16Å; I30-A32 VanDerWaalsContact C-N 3.33Å; I30-A32 PolarHBondContact O-N 3.14Å; A32-R35 PolarHBondContact O-N 3.41Å; A32-H36 PolarHBondContact O-N 3.19Å; A32-H36 VanDerWaalsContact O-N 3.14Å
33L69Low63.1Low83 Ų8397.5 Ų97.544%0.43548%0.482SS..Hα-helixtrans-63.1-45.5174-116.1143.2000111.8F29 I30 R35 H36 I37F29-L33 HydrophobicContact CD1-CD1 3.81Å; F29-L33 HydrophobicContact CE1-CD1 3.25Å; F29-L33 HydrophobicContact CE2-CD1 4.2Å; F29-L33 HydrophobicContact CG-CD1 4.49Å; F29-L33 HydrophobicContact CZ-CD1 3.47Å; F29-L33 VanDerWaalsContact CZ-CD1 3.47Å; F29-L33 WeakPolarHBondContact O-CB 3.12Å; F29-L33 PolarHBondContact O-N 3.04Å; I30-L33 WeakPolarHBondContact O-CB 3.35Å; I30-L33 PolarHBondContact O-N 3.4Å; L33-R35 VanDerWaalsContact C-N 3.34Å; L33-R35 PolarHBondContact O-N 2.95Å; L33-H36 WeakPolarHBondContact O-CB 3.47Å; L33-H36 PolarHBondContact O-N 3.39Å; L33-H36 VanDerWaalsContact O-N 3.09Å; L33-I37 WeakPolarHBondContact O-CG1 3.48Å; L33-I37 PolarHBondContact O-N 2.77Å
34I53.1Low60.7Low81 Ų8199.1 Ų99.142%0.41549%0.492SS..Hα-helixtrans-60.7-42.7177-72170.5000110.7I30 H36 I37 F42I30-I34 HydrophobicContact CG2-CD1 3.59Å; I30-I34 HydrophobicContact CG2-CG1 4.2Å; I30-I34 WeakPolarHBondContact O-CB 3.49Å; I30-I34 WeakPolarHBondContact O-CG1 3.41Å; I30-I34 PolarHBondContact O-N 3.05Å; I34-H36 PolarHBondContact O-N 2.6Å; I34-I37 PolarHBondContact O-N 3.04Å; I34-I37 VanDerWaalsContact O-N 3.14Å; I34-F42 HydrophobicContact CB-CE2 4.46Å; I34-F42 HydrophobicContact CG1-CE2 4.42Å; I34-F42 HydrophobicContact CG1-CZ 4.15Å; I34-F42 HydrophobicContact CG2-CE2 3.86Å; I34-F42 HydrophobicContact CG2-CZ 3.93Å
35R56.6Low58.5Low197 Ų197102.1 Ų102.174%0.74351%0.507SS*.Hα-helixtrans-63-29.9175.3-80.2-178.4-72.8169.6-5.1112.9A31 A32 L33A31-R35 WeakPolarHBondContact O-CB 3.31Å; A31-R35 WeakPolarHBondContact O-CG 3.5Å; A31-R35 PolarHBondContact O-N 3.26Å; A31-R35 PolarHBondContact O-NE 2.86Å; A32-R35 PolarHBondContact O-N 3.41Å; L33-R35 VanDerWaalsContact C-N 3.34Å; L33-R35 PolarHBondContact O-N 2.95Å
36H51.6Low56.2Low167 Ų167111.9 Ų111.977%0.77354%0.537SS*.Hα-helixtrans-78.5-16.5175.8-99.5-70.4000114.1A32 L33 I34A32-H36 PolarHBondContact O-N 3.19Å; A32-H36 VanDerWaalsContact O-N 3.14Å; L33-H36 WeakPolarHBondContact O-CB 3.47Å; L33-H36 PolarHBondContact O-N 3.39Å; L33-H36 VanDerWaalsContact O-N 3.09Å; I34-H36 PolarHBondContact O-N 2.6Å
37I45.1Very low54.3Low58 Ų58120 Ų12030%0.29757%0.566SS.*SBendtrans-87.5114.3179-63.3163.1000109.3L33 I34 N39 N41 F42L33-I37 WeakPolarHBondContact O-CG1 3.48Å; L33-I37 PolarHBondContact O-N 2.77Å; I34-I37 PolarHBondContact O-N 3.04Å; I34-I37 VanDerWaalsContact O-N 3.14Å; I37-N39 PolarHBondContact O-N 2.91Å; I37-N41 HydrophobicContact CG2-CB 3.94Å; I37-F42 HydrophobicContact CB-CD2 4.2Å; I37-F42 HydrophobicContact CB-CE2 4.2Å; I37-F42 HydrophobicContact CD1-CE2 4.41Å; I37-F42 HydrophobicContact CG2-CD2 3.72Å; I37-F42 HydrophobicContact CG2-CE2 4.13Å
38Q41.1Very low52.3Low138 Ų138123 Ų12365%0.64557%0.568SS**  trans-57.8139.4177.1-63.8-172.1-12.600111.7K40 N41Q38-K40 PolarHBondContact O-N 2.89Å; Q38-N41 PolarHBondContact O-N 3.19Å
39N48.4Very low50.7Low143 Ų143119.6 Ų119.677%0.76557%0.565SS**THydrogen-bonded Turntrans-49.8-25.1178.5-86.3-16.4000115I37 N41I37-N39 PolarHBondContact O-N 2.91Å; N39-N41 VanDerWaalsContact C-N 3.32Å
40K42.9Very low48.7Very low176 Ų176121.4 Ų121.477%0.76558%0.576SS**THydrogen-bonded Turntrans-66.4-30.9173.9-92.6-175.9172.4-177.20113.1Q38Q38-K40 PolarHBondContact O-N 2.89Å
41N44.4Very low47.3Very low99 Ų99125.5 Ų125.553%0.52959%0.587SS.*THydrogen-bonded Turntrans-90.7-15.6-174.9-61.7-12.7000112.7I37 Q38 N39 K43I37-N41 HydrophobicContact CG2-CB 3.94Å; Q38-N41 PolarHBondContact O-N 3.19Å; N39-N41 VanDerWaalsContact C-N 3.32Å; N41-K43 VanDerWaalsContact C-N 3.33Å; N41-K43 PolarHBondContact O-N 2.96Å
42F42.8Very low46.4Very low92 Ų92124.4 Ų124.440%0.40458%0.577SS.*G310 helixtrans-73.9-21.1176.8-120.5-84.8000113.9I34 I37 T44I34-F42 HydrophobicContact CB-CE2 4.46Å; I34-F42 HydrophobicContact CG1-CE2 4.42Å; I34-F42 HydrophobicContact CG1-CZ 4.15Å; I34-F42 HydrophobicContact CG2-CE2 3.86Å; I34-F42 HydrophobicContact CG2-CZ 3.93Å; I37-F42 HydrophobicContact CB-CD2 4.2Å; I37-F42 HydrophobicContact CB-CE2 4.2Å; I37-F42 HydrophobicContact CD1-CE2 4.41Å; I37-F42 HydrophobicContact CG2-CD2 3.72Å; I37-F42 HydrophobicContact CG2-CE2 4.13Å; F42-T44 PolarHBondContact O-N 3.26Å
43K41.8Very low45.4Very low172 Ų172134.6 Ų134.675%0.74861%0.609SS**G310 helixtrans-72.5-9.1-178.3-69.5-173.5177.6-177.30113.5N41N41-K43 VanDerWaalsContact C-N 3.33Å; N41-K43 PolarHBondContact O-N 2.96Å
44T37.9Very low44.6Very low117 Ų117141.7 Ų141.772%0.71863%0.631SS**G310 helixtrans-141.742.6-163.3-28.70000113F42F42-T44 PolarHBondContact O-N 3.26Å
45I41.1Very low44.5Very low81 Ų81141.3 Ų141.342%0.41563%0.629SS.*  trans-88.8113.1168.8-58.4178.4000108.8R47I45-R47 PolarHBondContact O-N 3.41Å; I45-R47 VanDerWaalsContact O-N 3.07Å
46R40.3Very low44.1Very low250 Ų250136.4 Ų136.494%0.94361%0.613SS**SBendtrans-63.3-13.6-168.1-135.5174.6-176.2173.8-0.1115.1
47R37.2Very low44.7Very low212 Ų212133.1 Ų133.180%0.861%0.605SS**SBendtrans-134-14.5-172.5-72.1-177.4177.1175.7-1.3116.4I45I45-R47 PolarHBondContact O-N 3.41Å; I45-R47 VanDerWaalsContact O-N 3.07Å
48Y34.1Very low45.4Very low189 Ų189136.2 Ų136.274%0.74162%0.621SS**SBendtrans-141.7144.5-176.8-73.2-89.3000111.4
49G42.6Very low45.9Very low44 Ų44132.2 Ų132.245%0.45460%0.603SS.*SBendtrans119.8163.7175.100000114.9Y51 S52G49-Y51 PolarHBondContact O-N 3Å; G49-S52 VanDerWaalsContact O-CB 3.24Å; G49-S52 WeakPolarHBondContact O-CB 3.49Å; G49-S52 PolarHBondContact O-N 3.4Å
50I39.9Very low46.3Very low99 Ų99132.5 Ų132.551%0.50860%0.598SS.*THydrogen-bonded Turntrans-56.5-20.1-173.3-58.1-176.3000113.5M59I50-M59 VanDerWaalsContact CA-SD 3.52Å; I50-M59 HydrophobicContact CB-CE 3.77Å; I50-M59 HydrophobicContact CB-SD 3.8Å; I50-M59 HydrophobicContact CD1-CE 3.84Å; I50-M59 HydrophobicContact CG1-CE 3.53Å; I50-M59 HydrophobicContact CG1-SD 3.88Å; I50-M59 HydrophobicContact CG2-CE 3.28Å; I50-M59 HydrophobicContact CG2-SD 3.63Å
51Y43.1Very low47.6Very low167 Ų167131.7 Ų131.766%0.65559%0.594SS**THydrogen-bonded Turntrans-106.36.7-178.9-67.2-80.2000114.6G49 R53G49-Y51 PolarHBondContact O-N 3Å; Y51-R53 PolarHBondContact O-N 3.43Å
52S50.9Low48.4Very low19 Ų19131.4 Ų131.413%0.13360%0.595CS.*  trans-49.9129.9170.71550000110.3G49 R54 I55 K56G49-S52 VanDerWaalsContact O-CB 3.24Å; G49-S52 WeakPolarHBondContact O-CB 3.49Å; G49-S52 PolarHBondContact O-N 3.4Å; S52-R54 PolarHBondContact O-N 2.86Å; S52-R54 PolarHBondContact OG-N 3.08Å; S52-I55 PolarHBondContact O-N 3.34Å; S52-I55 PolarHBondContact OG-N 3.26Å; S52-K56 WeakPolarHBondContact O-CB 3.44Å; S52-K56 PolarHBondContact O-N 3.39Å
53R49.3Very low48.9Very low242 Ų242131 Ų13191%0.91360%0.596SS**THydrogen-bonded Turntrans-54.7-26.7-179.5-70.6-175.3-175.7-177.10.2112.8Y51Y51-R53 PolarHBondContact O-N 3.43Å
54R51.9Low49.8Very low233 Ų233129.6 Ų129.688%0.87959%0.59SS**THydrogen-bonded Turntrans-79.7-34.5178.4-146.6-179.6-165-174.44113.1S52S52-R54 PolarHBondContact O-N 2.86Å; S52-R54 PolarHBondContact OG-N 3.08Å
55I50.8Low51.2Low73 Ų73129 Ų12937%0.37458%0.579SS.*THydrogen-bonded Turntrans-100.8-24.9-173.1-63.9171.7000112S52 T57 L58 M59S52-I55 PolarHBondContact O-N 3.34Å; S52-I55 PolarHBondContact OG-N 3.26Å; I55-T57 PolarHBondContact O-N 3Å; I55-L58 CarbonylContact O-C 3.58Å; I55-L58 WeakPolarHBondContact O-CA 3.49Å; I55-L58 WeakPolarHBondContact O-CB 3.48Å; I55-L58 PolarHBondContact O-N 3.23Å; I55-M59 HydrophobicContact CG2-CB 4.39Å; I55-M59 HydrophobicContact CG2-CG 3.62Å; I55-M59 HydrophobicContact CG2-SD 3.65Å; I55-M59 PolarHBondContact O-N 3.36Å
56K48.7Very low51.7Low93 Ų93131.9 Ų131.940%0.40459%0.585SS.*Hα-helixtrans-57.4-34.8-175.8-174.1175.4-176.2177.90112.9S52 K60S52-K56 WeakPolarHBondContact O-CB 3.44Å; S52-K56 PolarHBondContact O-N 3.39Å; K56-K60 VanDerWaalsContact O-CB 3.29Å; K56-K60 WeakPolarHBondContact O-CB 3.4Å; K56-K60 WeakPolarHBondContact O-CG 2.99Å; K56-K60 PolarHBondContact O-N 3.1Å
57T64Low52.3Low99 Ų99125.2 Ų125.261%0.60757%0.565SS**Hα-helixtrans-71.6-39.9176.4-42.10000111.5I55 K61I55-T57 PolarHBondContact O-N 3Å; T57-K61 PolarHBondContact O-N 3Å
58L61.5Low53.5Low122 Ų122121.5 Ų121.564%0.63956%0.555SS**Hα-helixtrans-69.9-47.1176.8-150.588.1000111I55 K60 K61 V62I55-L58 CarbonylContact O-C 3.58Å; I55-L58 WeakPolarHBondContact O-CA 3.49Å; I55-L58 WeakPolarHBondContact O-CB 3.48Å; I55-L58 PolarHBondContact O-N 3.23Å; L58-K60 PolarHBondContact O-N 3.14Å; L58-K61 WeakPolarHBondContact O-CB 3.42Å; L58-K61 PolarHBondContact O-N 2.99Å; L58-K61 VanDerWaalsContact O-N 3.12Å; L58-V62 WeakPolarHBondContact O-CG2 3.01Å; L58-V62 PolarHBondContact O-N 3.43Å
59M51.2Low54.5Low55 Ų55121.8 Ų121.827%0.27155%0.554SS.*Hα-helixtrans-68.7-29.7178.6-82-171.781.300113.3I50 I55 K61 V62 M63I50-M59 VanDerWaalsContact CA-SD 3.52Å; I50-M59 HydrophobicContact CB-CE 3.77Å; I50-M59 HydrophobicContact CB-SD 3.8Å; I50-M59 HydrophobicContact CD1-CE 3.84Å; I50-M59 HydrophobicContact CG1-CE 3.53Å; I50-M59 HydrophobicContact CG1-SD 3.88Å; I50-M59 HydrophobicContact CG2-CE 3.28Å; I50-M59 HydrophobicContact CG2-SD 3.63Å; I55-M59 HydrophobicContact CG2-CB 4.39Å; I55-M59 HydrophobicContact CG2-CG 3.62Å; I55-M59 HydrophobicContact CG2-SD 3.65Å; I55-M59 PolarHBondContact O-N 3.36Å; M59-K61 VanDerWaalsContact C-N 3.31Å; M59-K61 PolarHBondContact O-N 3.25Å; M59-V62 PolarHBondContact O-N 2.79Å; M59-M63 WeakPolarHBondContact O-CB 3.34Å; M59-M63 VanDerWaalsContact O-CG 3.31Å; M59-M63 WeakPolarHBondContact O-CG 3.37Å; M59-M63 PolarHBondContact O-N 3.23Å
60K56.9Low54.9Low149 Ų149121.4 Ų121.465%0.64854%0.543SS*.Hα-helixtrans-60.5-40.2169.2-94.4-174.4172-1730111.9K56 L58 K64K56-K60 VanDerWaalsContact O-CB 3.29Å; K56-K60 WeakPolarHBondContact O-CB 3.4Å; K56-K60 WeakPolarHBondContact O-CG 2.99Å; K56-K60 PolarHBondContact O-N 3.1Å; L58-K60 PolarHBondContact O-N 3.14Å; K60-K64 WeakPolarHBondContact O-CB 3.3Å; K60-K64 PolarHBondContact O-N 3.49Å; K60-K64 VanDerWaalsContact O-N 3.15Å
61K68.9Low55.1Low159 Ų159123.9 Ų123.969%0.69155%0.55SS**Hα-helixtrans-67.8-47.3176.4-72.2-177.5176.9-177.20111.1T57 L58 M59 K64 E65T57-K61 PolarHBondContact O-N 3Å; L58-K61 WeakPolarHBondContact O-CB 3.42Å; L58-K61 PolarHBondContact O-N 2.99Å; L58-K61 VanDerWaalsContact O-N 3.12Å; M59-K61 VanDerWaalsContact C-N 3.31Å; M59-K61 PolarHBondContact O-N 3.25Å; K61-K64 PolarHBondContact O-N 3.19Å; K61-E65 PolarHBondContact O-N 3.21Å
62V62.4Low55.5Low92 Ų92124 Ų12456%0.55855%0.554SS**Hα-helixtrans-62.8-44.7178.8176.50000112L58 M59 K64 E65 Y66L58-V62 WeakPolarHBondContact O-CG2 3.01Å; L58-V62 PolarHBondContact O-N 3.43Å; M59-V62 PolarHBondContact O-N 2.79Å; V62-K64 VanDerWaalsContact C-N 3.33Å; V62-K64 PolarHBondContact O-N 3.23Å; V62-E65 PolarHBondContact O-N 3.05Å; V62-Y66 WeakPolarHBondContact O-CB 3.29Å; V62-Y66 PolarHBondContact O-N 3.04Å
63M51.6Low55.2Low83 Ų83129.3 Ų129.341%0.40958%0.58SS.*Hα-helixtrans-64.3-35.4177.5-81.3-68.8-65.700112.7M59 E65 Q67M59-M63 WeakPolarHBondContact O-CB 3.34Å; M59-M63 VanDerWaalsContact O-CG 3.31Å; M59-M63 WeakPolarHBondContact O-CG 3.37Å; M59-M63 PolarHBondContact O-N 3.23Å; M63-E65 VanDerWaalsContact C-N 3.34Å; M63-Q67 HydrophobicContact CE-CG 4.43Å; M63-Q67 WeakPolarHBondContact O-CB 3.45Å; M63-Q67 WeakPolarHBondContact O-CG 3.47Å; M63-Q67 PolarHBondContact O-N 3.31Å
64K62.3Low54.9Low144 Ų144123.4 Ų123.463%0.62656%0.562SS**Hα-helixtrans-66.4-38.6177.5-156.1176.3-173.2-1760111.2K60 K61 V62 K68K60-K64 WeakPolarHBondContact O-CB 3.3Å; K60-K64 PolarHBondContact O-N 3.49Å; K60-K64 VanDerWaalsContact O-N 3.15Å; K61-K64 PolarHBondContact O-N 3.19Å; V62-K64 VanDerWaalsContact C-N 3.33Å; V62-K64 PolarHBondContact O-N 3.23Å; K64-K68 WeakPolarHBondContact O-CG 3.33Å; K64-K68 PolarHBondContact O-N 2.97Å; K64-K68 VanDerWaalsContact O-N 3.15Å
65E65.6Low54.5Low103 Ų103116.5 Ų116.548%0.48154%0.541SS..Hα-helixtrans-78-37.5179.2-140.657.5-16000112.7K61 V62 M63 K68 R69K61-E65 PolarHBondContact O-N 3.21Å; V62-E65 PolarHBondContact O-N 3.05Å; M63-E65 VanDerWaalsContact C-N 3.34Å; E65-K68 PolarHBondContact O-N 3.41Å; E65-R69 PolarHBondContact O-N 3.12Å; E65-R69 VanDerWaalsContact O-N 3.11Å
66Y53.4Low54.3Low142 Ų142118.5 Ų118.556%0.55755%0.553SS**Hα-helixtrans-64-46.4171.1-177.7-99000111.4V62 K68 R69 V70V62-Y66 WeakPolarHBondContact O-CB 3.29Å; V62-Y66 PolarHBondContact O-N 3.04Å; Y66-K68 VanDerWaalsContact C-N 3.29Å; Y66-K68 PolarHBondContact O-N 3.42Å; Y66-R69 PolarHBondContact O-N 3.07Å; Y66-V70 HydrophobicContact CD1-CG2 4.05Å; Y66-V70 HydrophobicContact CD2-CG2 3.82Å; Y66-V70 HydrophobicContact CE1-CB 4.29Å; Y66-V70 HydrophobicContact CE1-CG1 4.4Å; Y66-V70 HydrophobicContact CE1-CG2 3.79Å; Y66-V70 HydrophobicContact CE2-CG2 3.55Å; Y66-V70 HydrophobicContact CG-CG2 4.07Å; Y66-V70 VanDerWaalsContact O-CB 3.28Å; Y66-V70 WeakPolarHBondContact O-CB 3.22Å; Y66-V70 VanDerWaalsContact O-CG2 3.29Å; Y66-V70 WeakPolarHBondContact O-CG2 3.42Å; Y66-V70 PolarHBondContact O-N 3.05Å
67Q51.2Low54.2Low110 Ų110119.3 Ų119.351%0.51456%0.561SS.*Hα-helixtrans-62.1-34.7176.5-78.5178-12.600112.6M63 K71M63-Q67 HydrophobicContact CE-CG 4.43Å; M63-Q67 WeakPolarHBondContact O-CB 3.45Å; M63-Q67 WeakPolarHBondContact O-CG 3.47Å; M63-Q67 PolarHBondContact O-N 3.31Å; Q67-K71 WeakPolarHBondContact O-CB 3.33Å; Q67-K71 PolarHBondContact O-N 3.43Å
68K62.9Low53.2Low135 Ų135120 Ų12059%0.58756%0.561SS**Hα-helixtrans-64.7-45.3172.8-85.3179.3174.8-179.70112.6K64 E65 Y66K64-K68 WeakPolarHBondContact O-CG 3.33Å; K64-K68 PolarHBondContact O-N 2.97Å; K64-K68 VanDerWaalsContact O-N 3.15Å; E65-K68 PolarHBondContact O-N 3.41Å; Y66-K68 VanDerWaalsContact C-N 3.29Å; Y66-K68 PolarHBondContact O-N 3.42Å
69R54.8Low52.5Low194 Ų194121.1 Ų121.173%0.73256%0.563SS**Hα-helixtrans-72.3-39.2-179.9-77.5-178.5174.4-179.9-2.2112.7E65 Y66E65-R69 PolarHBondContact O-N 3.12Å; E65-R69 VanDerWaalsContact O-N 3.11Å; Y66-R69 PolarHBondContact O-N 3.07Å
70V51.7Low52.5Low36 Ų36122.6 Ų122.622%0.21858%0.584CS.*Hα-helixtrans-83.4-33.2-174.6177.50000112.6Y66 K72 L73 F74Y66-V70 HydrophobicContact CD1-CG2 4.05Å; Y66-V70 HydrophobicContact CD2-CG2 3.82Å; Y66-V70 HydrophobicContact CE1-CB 4.29Å; Y66-V70 HydrophobicContact CE1-CG1 4.4Å; Y66-V70 HydrophobicContact CE1-CG2 3.79Å; Y66-V70 HydrophobicContact CE2-CG2 3.55Å; Y66-V70 HydrophobicContact CG-CG2 4.07Å; Y66-V70 VanDerWaalsContact O-CB 3.28Å; Y66-V70 WeakPolarHBondContact O-CB 3.22Å; Y66-V70 VanDerWaalsContact O-CG2 3.29Å; Y66-V70 WeakPolarHBondContact O-CG2 3.42Å; Y66-V70 PolarHBondContact O-N 3.05Å; V70-K72 VanDerWaalsContact C-N 3.27Å; V70-K72 PolarHBondContact O-N 2.98Å; V70-L73 PolarHBondContact O-N 2.98Å; V70-F74 HydrophobicContact CG1-CD2 3.37Å; V70-F74 HydrophobicContact CG1-CE2 3.67Å; V70-F74 HydrophobicContact CG1-CG 4.39Å; V70-F74 WeakPolarHBondContact O-CB 3.36Å; V70-F74 PolarHBondContact O-N 3.33Å
71K45.2Very low52.1Low151 Ų151122.2 Ų122.266%0.65759%0.588SS**Hα-helixtrans-58-40.9170.5-95.1-177.5163.6-177.20111.7Q67 L73 I75Q67-K71 WeakPolarHBondContact O-CB 3.33Å; Q67-K71 PolarHBondContact O-N 3.43Å; K71-L73 VanDerWaalsContact C-N 3.32Å; K71-L73 PolarHBondContact O-N 3.07Å; K71-I75 HydrophobicContact CB-CD1 4.29Å; K71-I75 WeakPolarHBondContact O-CB 3.25Å; K71-I75 WeakPolarHBondContact O-CD1 3.23Å; K71-I75 WeakPolarHBondContact O-CG1 3.27Å; K71-I75 PolarHBondContact O-N 3.25Å; K71-I75 VanDerWaalsContact O-N 3.16Å
72K50.6Low51Low169 Ų169121.9 Ų121.974%0.73558%0.582SS**Hα-helixtrans-65.6-33.7179.1-115.6-178.2178.1-1750113V70V70-K72 VanDerWaalsContact C-N 3.27Å; V70-K72 PolarHBondContact O-N 2.98Å
73L44.1Very low50.5Low131 Ų131122.7 Ų122.769%0.68659%0.59SS**Hα-helixtrans-82.4-37.3180-121.997.8000113.2V70 K71V70-L73 PolarHBondContact O-N 2.98Å; K71-L73 VanDerWaalsContact C-N 3.32Å; K71-L73 PolarHBondContact O-N 3.07Å
74F42.5Very low50.9Low119 Ų119123.5 Ų123.552%0.52259%0.591SS.*Hα-helixtrans-81.6-27.3-176.7-93.1-95.1000114.2V70 L77 N78V70-F74 HydrophobicContact CG1-CD2 3.37Å; V70-F74 HydrophobicContact CG1-CE2 3.67Å; V70-F74 HydrophobicContact CG1-CG 4.39Å; V70-F74 WeakPolarHBondContact O-CB 3.36Å; V70-F74 PolarHBondContact O-N 3.33Å; F74-L77 PolarHBondContact O-N 3.25Å; F74-N78 WeakPolarHBondContact O-CB 3.21Å; F74-N78 PolarHBondContact O-N 3.48Å
75I45Very low50.5Low87 Ų87118.1 Ų118.145%0.44657%0.572SS.*Hα-helixtrans-63.3-46.9176.5-70.3166.1000109.8K71 L77 N78 E79K71-I75 HydrophobicContact CB-CD1 4.29Å; K71-I75 WeakPolarHBondContact O-CB 3.25Å; K71-I75 WeakPolarHBondContact O-CD1 3.23Å; K71-I75 WeakPolarHBondContact O-CG1 3.27Å; K71-I75 PolarHBondContact O-N 3.25Å; K71-I75 VanDerWaalsContact O-N 3.16Å; I75-L77 VanDerWaalsContact C-N 3.3Å; I75-L77 PolarHBondContact O-N 3.01Å; I75-N78 PolarHBondContact O-N 3.38Å; I75-E79 PolarHBondContact O-N 3.07Å; I75-E79 VanDerWaalsContact O-N 3.13Å
76N46.2Very low50.1Low116 Ų116120.8 Ų120.862%0.6258%0.577SS**Hα-helixtrans-66.5-28.9179.8-67.54.7000113.4
77L45.4Very low50.1Low109 Ų109118.5 Ų118.557%0.57157%0.572SS**Hα-helixtrans-83.2-33.6179.6-128.593.8000113F74 I75F74-L77 PolarHBondContact O-N 3.25Å; I75-L77 VanDerWaalsContact C-N 3.3Å; I75-L77 PolarHBondContact O-N 3.01Å
78N43.2Very low50.7Low114 Ų114116.9 Ų116.961%0.6156%0.564SS**Hα-helixtrans-80.4-25.7178.9-88.8-13.2000113.4F74 I75F74-N78 WeakPolarHBondContact O-CB 3.21Å; F74-N78 PolarHBondContact O-N 3.48Å; I75-N78 PolarHBondContact O-N 3.38Å
79E47.3Very low51Low145 Ų145117.3 Ų117.368%0.67856%0.562SS**Hα-helixtrans-70.4-36171.7-86.1176.7156.500112.3I75 L81I75-E79 PolarHBondContact O-N 3.07Å; I75-E79 VanDerWaalsContact O-N 3.13Å; E79-L81 PolarHBondContact O-N 2.96Å
80A50.8Low51.2Low86 Ų86109.3 Ų109.371%0.71153%0.533SS*.Hα-helixtrans-76-20-177.800000114.6
81L48.8Very low52Low141 Ų141110.3 Ų110.374%0.73854%0.54SS*.THydrogen-bonded Turntrans-114.36.9-174.5-72.7166.8000113.9E79E79-L81 PolarHBondContact O-N 2.96Å
82R46.3Very low53.2Low152 Ų152109.1 Ų109.157%0.57454%0.536SS*.PPolyproline II helixtrans-72.4130.9180166.4173.9153.4156.8-10.5110.8K84 E88R82-K84 PolarHBondContact O-N 3.02Å; R82-E88 IonicContact CZ-OE1 3.64Å; R82-E88 IonicContact NE-OE1 3.74Å; R82-E88 IonicContact NH2-OE1 2.8Å; R82-E88 PolarHBondContact NH2-OE1 3.15Å
83P52Low54Low110 Ų110108.9 Ų108.971%0.71454%0.538SS*.PPolyproline II helixtrans-63.1133.1170.724.8-31.6000110.3S85P83-S85 PolarHBondContact O-N 3.13Å
84K59.1Low54.8Low99 Ų99109.6 Ų109.643%0.4354%0.536SS..PPolyproline II helixtrans-57.5129.2179.9-71.2-179.3174.5173.80111.3R82 E88 R89 E92R82-K84 PolarHBondContact O-N 3.02Å; K84-E88 WeakPolarHBondContact CA-OE2 3.13Å; K84-E88 HydrophobicContact CB-CB 4.29Å; K84-R89 HydrophobicContact CB-CG 4.19Å; K84-R89 PolarHBondContact O-NE 2.83Å; K84-R89 PolarHBondContact O-NH2 2.98Å; K84-E92 IonicContact NZ-OE1 2.62Å; K84-E92 PolarHBondContact NZ-OE1 2.98Å; K84-E92 IonicContact NZ-OE2 2.69Å; K84-E92 PolarHBondContact NZ-OE2 3.46Å
85S54.5Low55.9Low32 Ų32106.8 Ų106.822%0.22454%0.54CS..PPolyproline II helixtrans-62.9161.6175.983.30000110.4P83 E87 E88 R89P83-S85 PolarHBondContact O-N 3.13Å; S85-E87 PolarHBondContact O-N 2.8Å; S85-E87 PolarHBondContact OG-N 3.26Å; S85-E88 PolarHBondContact N-OE2 2.95Å; S85-E88 PolarHBondContact O-N 2.64Å; S85-E88 VanDerWaalsContact OG-CG 3.31Å; S85-E88 WeakPolarHBondContact OG-CG 3.33Å; S85-E88 PolarHBondContact OG-N 2.93Å; S85-R89 PolarHBondContact O-N 3.05Å
86W57.1Low56.7Low159 Ų159110 Ų11060%0.60255%0.553SS**Hα-helixtrans-60.2-37.4174.8175.482.4000111.4R89 I90 L99W86-R89 PolarHBondContact O-N 3.09Å; W86-I90 HydrophobicContact CD2-CD1 3.99Å; W86-I90 HydrophobicContact CD2-CG1 4.38Å; W86-I90 HydrophobicContact CE3-CD1 4.25Å; W86-I90 HydrophobicContact CH2-CD1 3.46Å; W86-I90 VanDerWaalsContact CH2-CD1 3.46Å; W86-I90 HydrophobicContact CZ2-CD1 3.12Å; W86-I90 HydrophobicContact CZ2-CG1 4.28Å; W86-I90 HydrophobicContact CZ3-CD1 4Å; W86-I90 PolarHBondContact O-N 3.05Å; W86-L99 HydrophobicContact CH2-CD1 3.8Å; W86-L99 HydrophobicContact CZ3-CD1 3.79Å
87E53.1Low57.2Low94 Ų94105.7 Ų105.744%0.43953%0.53SS..Hα-helixtrans-63.4-48.1175.5-174.1169.4-147.300111.5S85 R89 I90 T91 N97S85-E87 PolarHBondContact O-N 2.8Å; S85-E87 PolarHBondContact OG-N 3.26Å; E87-R89 VanDerWaalsContact C-N 3.27Å; E87-R89 PolarHBondContact O-N 3.11Å; E87-I90 PolarHBondContact O-N 2.89Å; E87-I90 VanDerWaalsContact O-N 3.12Å; E87-T91 PolarHBondContact O-N 3.42Å; E87-T91 PolarHBondContact O-OG1 3.34Å; E87-N97 PolarHBondContact OE1-ND2 3.09Å
88E64.6Low57.4Low75 Ų75104.2 Ų104.235%0.3553%0.527SS..Hα-helixtrans-59.6-37.3175.8-72.1158.5-160.700111.9R82 K84 S85 E92R82-E88 IonicContact CZ-OE1 3.64Å; R82-E88 IonicContact NE-OE1 3.74Å; R82-E88 IonicContact NH2-OE1 2.8Å; R82-E88 PolarHBondContact NH2-OE1 3.15Å; K84-E88 WeakPolarHBondContact CA-OE2 3.13Å; K84-E88 HydrophobicContact CB-CB 4.29Å; S85-E88 PolarHBondContact N-OE2 2.95Å; S85-E88 PolarHBondContact O-N 2.64Å; S85-E88 VanDerWaalsContact OG-CG 3.31Å; S85-E88 WeakPolarHBondContact OG-CG 3.33Å; S85-E88 PolarHBondContact OG-N 2.93Å; E88-E92 VanDerWaalsContact O-CB 3.28Å; E88-E92 WeakPolarHBondContact O-CB 3.33Å; E88-E92 PolarHBondContact O-N 3.33Å; E88-E92 VanDerWaalsContact O-N 3.07Å
89R68Low57.7Low144 Ų144103.8 Ų103.854%0.54352%0.524SS..Hα-helixtrans-68.4-39.3174.9-80.9-178.3-100.2179.9-10.6113.1K84 S85 W86 E87 E92 E93K84-R89 HydrophobicContact CB-CG 4.19Å; K84-R89 PolarHBondContact O-NE 2.83Å; K84-R89 PolarHBondContact O-NH2 2.98Å; S85-R89 PolarHBondContact O-N 3.05Å; W86-R89 PolarHBondContact O-N 3.09Å; E87-R89 VanDerWaalsContact C-N 3.27Å; E87-R89 PolarHBondContact O-N 3.11Å; R89-E92 PolarHBondContact O-N 3.2Å; R89-E93 WeakPolarHBondContact O-CB 3.39Å; R89-E93 PolarHBondContact O-N 2.93Å; R89-E93 VanDerWaalsContact O-N 3.08Å
90I60.9Low57.6Low26 Ų26104 Ų10413%0.13353%0.525CS..Hα-helixtrans-68.9-43.1177.4-76.7-160.2000110.9W86 E87 E92 E93 F94 P98W86-I90 HydrophobicContact CD2-CD1 3.99Å; W86-I90 HydrophobicContact CD2-CG1 4.38Å; W86-I90 HydrophobicContact CE3-CD1 4.25Å; W86-I90 HydrophobicContact CH2-CD1 3.46Å; W86-I90 VanDerWaalsContact CH2-CD1 3.46Å; W86-I90 HydrophobicContact CZ2-CD1 3.12Å; W86-I90 HydrophobicContact CZ2-CG1 4.28Å; W86-I90 HydrophobicContact CZ3-CD1 4Å; W86-I90 PolarHBondContact O-N 3.05Å; E87-I90 PolarHBondContact O-N 2.89Å; E87-I90 VanDerWaalsContact O-N 3.12Å; I90-E92 VanDerWaalsContact C-N 3.26Å; I90-E92 PolarHBondContact O-N 2.86Å; I90-E93 PolarHBondContact O-N 2.86Å; I90-F94 HydrophobicContact CB-CD2 4.49Å; I90-F94 HydrophobicContact CG2-CD2 3.92Å; I90-F94 WeakPolarHBondContact O-CB 3.1Å; I90-F94 WeakPolarHBondContact O-CD2 3.26Å; I90-F94 PolarHBondContact O-N 2.95Å; I90-P98 HydrophobicContact CG2-CG 3.7Å
91T66.9Low57.8Low57 Ų57102.4 Ų102.435%0.3551%0.509SS..Hα-helixtrans-65-32.1177.1-45.50000111.8E87 G95E87-T91 PolarHBondContact O-N 3.42Å; E87-T91 PolarHBondContact O-OG1 3.34Å; T91-G95 CarbonylContact O-C 3.54Å; T91-G95 WeakPolarHBondContact O-CA 3.26Å; T91-G95 PolarHBondContact O-N 3.28Å
92E70.7Confident58.1Low126 Ų126100.6 Ų100.659%0.58951%0.508SS*.Hα-helixtrans-74.8-33177-159.5172-144.200113.1K84 E88 R89 I90K84-E92 IonicContact NZ-OE1 2.62Å; K84-E92 PolarHBondContact NZ-OE1 2.98Å; K84-E92 IonicContact NZ-OE2 2.69Å; K84-E92 PolarHBondContact NZ-OE2 3.46Å; E88-E92 VanDerWaalsContact O-CB 3.28Å; E88-E92 WeakPolarHBondContact O-CB 3.33Å; E88-E92 PolarHBondContact O-N 3.33Å; E88-E92 VanDerWaalsContact O-N 3.07Å; R89-E92 PolarHBondContact O-N 3.2Å; I90-E92 VanDerWaalsContact C-N 3.26Å; I90-E92 PolarHBondContact O-N 2.86Å
93E67.2Low58.9Low165 Ų16595.4 Ų95.477%0.77149%0.494SS*.Hα-helixtrans-81.9-39.4178.2-167.6111.4-156.100112.6R89 I90R89-E93 WeakPolarHBondContact O-CB 3.39Å; R89-E93 PolarHBondContact O-N 2.93Å; R89-E93 VanDerWaalsContact O-N 3.08Å; I90-E93 PolarHBondContact O-N 2.86Å
94F61.2Low59.5Low146 Ų14692.2 Ų92.264%0.6447%0.474SS*.Hα-helixtrans-103.3-6.6-174.2-65.5-81.6000114I90 E96I90-F94 HydrophobicContact CB-CD2 4.49Å; I90-F94 HydrophobicContact CG2-CD2 3.92Å; I90-F94 WeakPolarHBondContact O-CB 3.1Å; I90-F94 WeakPolarHBondContact O-CD2 3.26Å; I90-F94 PolarHBondContact O-N 2.95Å; F94-E96 PolarHBondContact O-N 3.01Å; F94-E96 VanDerWaalsContact O-N 3.13Å
95G65.7Low60.2Low59 Ų5988.8 Ų88.861%0.60846%0.461SS*.SBendtrans75.6-16.2-176.800000114.8T91T91-G95 CarbonylContact O-C 3.54Å; T91-G95 WeakPolarHBondContact O-CA 3.26Å; T91-G95 PolarHBondContact O-N 3.28Å
96E61.8Low61.3Low154 Ų15491 Ų9172%0.7247%0.47SS*.SBendtrans-146.9152.9-174.3-55.4-179.1-16200109.8F94 P98F94-E96 PolarHBondContact O-N 3.01Å; F94-E96 VanDerWaalsContact O-N 3.13Å; E96-P98 VanDerWaalsContact O-CD 3.22Å; E96-P98 WeakPolarHBondContact O-CD 3.42Å
97N56.8Low62.3Low26 Ų2684 Ų8414%0.13945%0.445CS..  trans-80108.9173.1-174-12000109.8E87 L99 E100E87-N97 PolarHBondContact OE1-ND2 3.09Å; N97-L99 PolarHBondContact O-N 3.06Å; N97-L99 VanDerWaalsContact O-N 3.08Å; N97-L99 WeakPolarHBondContact OD1-CB 3.31Å; N97-L99 PolarHBondContact OD1-N 3.24Å; N97-L99 VanDerWaalsContact OD1-N 3.08Å; N97-E100 HydrophobicContact CB-CB 4.23Å; N97-E100 HydrophobicContact CB-CG 4.34Å; N97-E100 PolarHBondContact O-N 3.49Å
98P50.7Low63.6Low78 Ų7884.9 Ų84.951%0.50645%0.452SS..THydrogen-bonded Turntrans-68.5-11.1-17629.9-35000113.3I90 E96I90-P98 HydrophobicContact CG2-CG 3.7Å; E96-P98 VanDerWaalsContact O-CD 3.22Å; E96-P98 WeakPolarHBondContact O-CD 3.42Å
99L48.4Very low64.2Low105 Ų10583.8 Ų83.855%0.5545%0.447SS..THydrogen-bonded Turntrans-94-9.6178.7-61.5178000113.6W86 N97 I106W86-L99 HydrophobicContact CH2-CD1 3.8Å; W86-L99 HydrophobicContact CZ3-CD1 3.79Å; N97-L99 PolarHBondContact O-N 3.06Å; N97-L99 VanDerWaalsContact O-N 3.08Å; N97-L99 WeakPolarHBondContact OD1-CB 3.31Å; N97-L99 PolarHBondContact OD1-N 3.24Å; N97-L99 VanDerWaalsContact OD1-N 3.08Å; L99-I106 HydrophobicContact CD2-CD1 3.86Å
100E45.3Very low64.7Low149 Ų14977.4 Ų77.470%0.69642%0.424SS*.  trans-100.940.7-180-76.2-171.9145.600113.2N97N97-E100 HydrophobicContact CB-CB 4.23Å; N97-E100 HydrophobicContact CB-CG 4.34Å; N97-E100 PolarHBondContact O-N 3.49Å
101C54.7Low65.3Low54 Ų5478.6 Ų78.637%0.36543%0.431SS..  trans-86.1119.2168-150.20000109.6C103 C104C101-C103 HydrophobicContact CB-CB 4.41Å; C101-C103 WeakPolarHBondContact CB-SG 3.36Å; C101-C103 PolarHBondContact O-N 2.69Å; C101-C103 WeakPolarHBondContact SG-CB 3.44Å; C101-C103 CovalentContact SG-SG 2.06Å; C101-C103 PolarHBondContact SG-SG 3.24Å; C101-C104 HydrophobicContact CB-CB 3.77Å; C101-C104 VanDerWaalsContact CB-SG 3.58Å; C101-C104 PolarHBondContact SG-SG 3.03Å
102S55.5Low65.4Low102 Ų10277.3 Ų77.371%0.71343%0.426SS*.THydrogen-bonded Turntrans-69.310.216863.20000114K130S102-K130 PolarHBondContact O-NZ 3.01Å
103C62.5Low64.9Low43 Ų4378.3 Ų78.329%0.29143%0.429SS..THydrogen-bonded Turntrans-128.4-32.4-162.817.70000112.5C101 G133C101-C103 HydrophobicContact CB-CB 4.41Å; C101-C103 WeakPolarHBondContact CB-SG 3.36Å; C101-C103 PolarHBondContact O-N 2.69Å; C101-C103 WeakPolarHBondContact SG-CB 3.44Å; C101-C103 CovalentContact SG-SG 2.06Å; C101-C103 PolarHBondContact SG-SG 3.24Å; C103-G133 WeakPolarHBondContact O-CA 3.31Å
104C66.1Low64.6Low43 Ų4373.2 Ų73.229%0.29141%0.41SS..  trans-92150.2-170.3-67.50000113C101 K134C101-C104 HydrophobicContact CB-CB 3.77Å; C101-C104 VanDerWaalsContact CB-SG 3.58Å; C101-C104 PolarHBondContact SG-SG 3.03Å; C104-K134 CarbonylContact C-O 3.6Å; C104-K134 WeakPolarHBondContact CA-O 3.23Å; C104-K134 VanDerWaalsContact CB-O 3.3Å; C104-K134 WeakPolarHBondContact CB-O 3.22Å
105V72.8Confident65.1Low27 Ų2767.4 Ų67.416%0.16438%0.384CS..EExtended strand (participates in β ladder)trans-112.8120.8168.4-178.20000108.3V107 V125 Q129 K134 R135 V136V105-V107 HydrophobicContact CG1-CG2 4.23Å; V105-V125 HydrophobicContact CG1-CG1 4Å; V105-Q129 HydrophobicContact CG2-CB 3.85Å; V105-Q129 HydrophobicContact CG2-CG 4.24Å; V105-K134 PolarHBondContact N-O 2.92Å; V105-R135 WeakPolarHBondContact O-CA 3.39Å; V105-V136 PolarHBondContact O-N 3.45Å
106I77.9Confident65.3Low79 Ų7967.2 Ų67.241%0.40538%0.376SS..EExtended strand (participates in β ladder)trans-102.1120.5174.2-55.8177.1000107.7L99 V136 L138L99-I106 HydrophobicContact CD2-CD1 3.86Å; I106-V136 WeakPolarHBondContact CA-O 3.38Å; I106-V136 HydrophobicContact CG1-CB 4.31Å; I106-L138 HydrophobicContact CG2-CD1 3.68Å; I106-L138 HydrophobicContact CG2-CG 4.01Å
107V78.1Confident65.8Low12 Ų1267.2 Ų67.27%0.07338%0.377CS..EExtended strand (participates in β ladder)trans-104.7105.5174.9-174.40000107.8V105 V110 Y115 V125 V136 Y137 L138V105-V107 HydrophobicContact CG1-CG2 4.23Å; V107-V110 HydrophobicContact CG1-CB 4.17Å; V107-V110 HydrophobicContact CG1-CG2 4.21Å; V107-Y115 HydrophobicContact CG1-CD1 4.3Å; V107-Y115 HydrophobicContact CG1-CD2 4.29Å; V107-Y115 HydrophobicContact CG1-CE1 3.98Å; V107-Y115 HydrophobicContact CG1-CE2 3.99Å; V107-Y115 HydrophobicContact CG1-CG 4.45Å; V107-V125 HydrophobicContact CG2-CG1 3.82Å; V107-V125 HydrophobicContact CG2-CG2 3.96Å; V107-V136 PolarHBondContact N-O 3.16Å; V107-Y137 HydrophobicContact CB-CD1 4.01Å; V107-Y137 HydrophobicContact CB-CE1 4.46Å; V107-Y137 HydrophobicContact CG2-CD1 4.28Å; V107-Y137 HydrophobicContact CG2-CE1 4.29Å; V107-L138 PolarHBondContact O-N 3.45Å
108D80.1Confident66.6Low112 Ų11268.6 Ų68.660%0.59938%0.384SS*.THydrogen-bonded Turntrans-84.6145.9174.5-165.419.6000111.5V110 L138D108-V110 VanDerWaalsContact C-N 3.33Å; D108-V110 PolarHBondContact O-N 3.1Å; D108-L138 HydrophobicContact CB-CD1 4.31Å
109E77.8Confident67.9Low52 Ų5271.1 Ų71.124%0.24339%0.392CS..THydrogen-bonded Turntrans49.946.9-175.8-54.3-160.4-17200113.6D111 A112 L138 R196 R206E109-D111 PolarHBondContact O-N 3.38Å; E109-A112 HydrophobicContact CB-CB 3.83Å; E109-A112 VanDerWaalsContact O-CB 3.29Å; E109-A112 WeakPolarHBondContact O-CB 3.34Å; E109-A112 PolarHBondContact O-N 3.09Å; E109-L138 PolarHBondContact N-O 2.82Å; E109-R196 IonicContact OE1-CZ 2.7Å; E109-R196 IonicContact OE1-NE 2.68Å; E109-R196 IonicContact OE1-NH2 3Å; E109-R196 PolarHBondContact OE1-NH2 3.22Å; E109-R196 IonicContact OE2-NE 3.52Å; E109-R196 PolarHBondContact OE2-NE 3.27Å; E109-R196 IonicContact OE2-NH2 2.68Å; E109-R206 IonicContact OE1-NH2 3.05Å
110V77.6Confident69.1Low11 Ų1171.8 Ų71.87%0.06740%0.396CS..THydrogen-bonded Turntrans-56.7-24.7179.470.90000113.3V107 D108 A112 Y115 Y137 L138 L146V107-V110 HydrophobicContact CG1-CB 4.17Å; V107-V110 HydrophobicContact CG1-CG2 4.21Å; D108-V110 VanDerWaalsContact C-N 3.33Å; D108-V110 PolarHBondContact O-N 3.1Å; V110-A112 VanDerWaalsContact C-N 3.35Å; V110-Y115 HydrophobicContact CB-CD1 4.34Å; V110-Y115 HydrophobicContact CB-CE1 4.44Å; V110-Y115 HydrophobicContact CG2-CD1 3.67Å; V110-Y115 HydrophobicContact CG2-CE1 3.41Å; V110-Y115 VanDerWaalsContact CG2-CE1 3.41Å; V110-Y115 WeakPolarHBondContact O-CD1 3.44Å; V110-Y137 HydrophobicContact CB-CD1 4.22Å; V110-Y137 HydrophobicContact CG2-CD1 3.56Å; V110-Y137 HydrophobicContact CG2-CE1 4.04Å; V110-Y137 HydrophobicContact CG2-CG 4.39Å; V110-L138 PolarHBondContact N-O 3.45Å; V110-L146 HydrophobicContact CG1-CD2 3.44Å; V110-L146 VanDerWaalsContact CG1-CD2 3.44Å; V110-L146 HydrophobicContact CG2-CD1 4.46Å; V110-L146 HydrophobicContact CG2-CD2 4.44Å
111D73.6Confident70.5Confident51 Ų5167.5 Ų67.527%0.27338%0.378SS..THydrogen-bonded Turntrans-87.10.9177.153.4-47.9000113.6E109 S139 T141E109-D111 PolarHBondContact O-N 3.38Å; D111-S139 WeakPolarHBondContact CB-OG 3.48Å; D111-S139 WeakPolarHBondContact OD1-CA 3.48Å; D111-S139 WeakPolarHBondContact OD1-CB 3.37Å; D111-S139 PolarHBondContact OD1-OG 3.3Å; D111-S139 PolarHBondContact OD2-OG 2.95Å; D111-T141 WeakPolarHBondContact OD2-CA 3.46Å; D111-T141 WeakPolarHBondContact OD2-CB 3.17Å; D111-T141 PolarHBondContact OD2-N 3.46Å; D111-T141 PolarHBondContact OD2-OG1 2.91Å
112A69.6Low71.6Confident30 Ų3067.9 Ų67.925%0.24837%0.374CS..SBendtrans-95.1148.3179.600000112.8E109 V110 Y115 A116E109-A112 HydrophobicContact CB-CB 3.83Å; E109-A112 VanDerWaalsContact O-CB 3.29Å; E109-A112 WeakPolarHBondContact O-CB 3.34Å; E109-A112 PolarHBondContact O-N 3.09Å; V110-A112 VanDerWaalsContact C-N 3.35Å; A112-Y115 PolarHBondContact O-N 3.47Å; A112-A116 PolarHBondContact O-N 3.03Å; A112-A116 VanDerWaalsContact O-N 3.13Å
113F60.9Low72.6Confident147 Ų14770.8 Ų70.865%0.64537%0.369SS*.THydrogen-bonded Turntrans-66.6138.7166.4179.5-88.4000110
114P60.8Low73.2Confident58 Ų5871.4 Ų71.438%0.37738%0.377SS..THydrogen-bonded Turncis-89.7-6.14.732.5-33.5000115.5A116 E117 D118 L121P114-A116 VanDerWaalsContact C-N 3.32Å; P114-A116 PolarHBondContact O-N 3.12Å; P114-E117 PolarHBondContact O-N 3.44Å; P114-E117 VanDerWaalsContact O-N 3.16Å; P114-D118 HydrophobicContact CB-CB 4.49Å; P114-D118 VanDerWaalsContact O-CB 3.29Å; P114-D118 WeakPolarHBondContact O-CB 3.32Å; P114-D118 PolarHBondContact O-N 2.9Å; P114-L121 HydrophobicContact CB-CD1 4.22Å; P114-L121 HydrophobicContact CG-CD1 3.79Å
115Y71.4Confident73.8Confident24 Ų2470.3 Ų70.39%0.09437%0.369CS..THydrogen-bonded Turntrans-57.9-42-172.1-170.2-90.2000113.2V107 V110 A112 E117 L121 H122 V125V107-Y115 HydrophobicContact CG1-CD1 4.3Å; V107-Y115 HydrophobicContact CG1-CD2 4.29Å; V107-Y115 HydrophobicContact CG1-CE1 3.98Å; V107-Y115 HydrophobicContact CG1-CE2 3.99Å; V107-Y115 HydrophobicContact CG1-CG 4.45Å; V110-Y115 HydrophobicContact CB-CD1 4.34Å; V110-Y115 HydrophobicContact CB-CE1 4.44Å; V110-Y115 HydrophobicContact CG2-CD1 3.67Å; V110-Y115 HydrophobicContact CG2-CE1 3.41Å; V110-Y115 VanDerWaalsContact CG2-CE1 3.41Å; V110-Y115 WeakPolarHBondContact O-CD1 3.44Å; A112-Y115 PolarHBondContact O-N 3.47Å; Y115-E117 PolarHBondContact O-N 3.09Å; Y115-E117 VanDerWaalsContact O-N 3.16Å; Y115-L121 HydrophobicContact CD2-CB 3.75Å; Y115-L121 HydrophobicContact CD2-CD1 4.41Å; Y115-L121 HydrophobicContact CE2-CB 4.06Å; Y115-H122 AromaticContact CD1-CE1 3.95Å; Y115-H122 AromaticContact CE1-CE1 3.36Å; Y115-H122 WeakPolarHBondContact CE1-CE1 3.48Å; Y115-H122 AromaticContact CE1-ND1 3.53Å; Y115-H122 AromaticContact CZ-CE1 3.84Å; Y115-H122 AromaticContact CZ-ND1 3.51Å; Y115-H122 PolarHBondContact O-NE2 2.97Å; Y115-H122 PolarHBondContact OH-ND1 2.85Å; Y115-V125 HydrophobicContact CE2-CG2 3.67Å
116A69.7Low74.1Confident54 Ų5473 Ų7345%0.44638%0.383SS..THydrogen-bonded Turntrans-62.2-21.8-177.800000114.8A112 P114A112-A116 PolarHBondContact O-N 3.03Å; A112-A116 VanDerWaalsContact O-N 3.13Å; P114-A116 VanDerWaalsContact C-N 3.32Å; P114-A116 PolarHBondContact O-N 3.12Å
117E71.1Confident74Confident155 Ų15575 Ų7572%0.72440%0.399SS*.THydrogen-bonded Turntrans-119.3-14.6-175.1-65.1-176174.200113.6P114 Y115P114-E117 PolarHBondContact O-N 3.44Å; P114-E117 VanDerWaalsContact O-N 3.16Å; Y115-E117 PolarHBondContact O-N 3.09Å; Y115-E117 VanDerWaalsContact O-N 3.16Å
118D74.7Confident73.7Confident54 Ų5477.9 Ų77.929%0.28942%0.424SS..  trans-95.4103-175.2-168-14.1000112.7P114 L120 L121 H122P114-D118 HydrophobicContact CB-CB 4.49Å; P114-D118 VanDerWaalsContact O-CB 3.29Å; P114-D118 WeakPolarHBondContact O-CB 3.32Å; P114-D118 PolarHBondContact O-N 2.9Å; D118-L120 PolarHBondContact O-N 2.82Å; D118-L120 WeakPolarHBondContact OD1-CA 3.47Å; D118-L120 WeakPolarHBondContact OD1-CB 3.36Å; D118-L120 PolarHBondContact OD1-N 2.76Å; D118-L121 HydrophobicContact CB-CB 4.26Å; D118-L121 HydrophobicContact CB-CD1 3.93Å; D118-L121 HydrophobicContact CB-CG 3.97Å; D118-L121 PolarHBondContact O-N 3.02Å; D118-H122 PolarHBondContact O-CD2 2.89Å; D118-H122 VanDerWaalsContact O-CD2 3.31Å; D118-H122 PolarHBondContact O-N 2.7Å
119L77.9Confident73.4Confident132 Ų13275 Ų7569%0.69141%0.407SS*.Hα-helixtrans-55.3-28.6173.2-79.5151.8000113.7R123L119-R123 WeakPolarHBondContact O-CG 3.46Å; L119-R123 PolarHBondContact O-N 2.91Å; L119-R123 VanDerWaalsContact O-N 3.09Å
120L74.1Confident73.2Confident118 Ų11878.9 Ų78.962%0.61842%0.423SS*.Hα-helixtrans-69.8-37.9177.1-65.1168.2000111.1D118 R123 A124D118-L120 PolarHBondContact O-N 2.82Å; D118-L120 WeakPolarHBondContact OD1-CA 3.47Å; D118-L120 WeakPolarHBondContact OD1-CB 3.36Å; D118-L120 PolarHBondContact OD1-N 2.76Å; L120-R123 PolarHBondContact O-N 2.84Å; L120-A124 WeakPolarHBondContact O-CB 3.31Å; L120-A124 PolarHBondContact O-N 3.12Å
121L73.8Confident73Confident60 Ų6090.9 Ų90.931%0.31447%0.467SS..Hα-helixtrans-69.2-38177.3-67179.4000111.7P114 Y115 D118 A124 V125P114-L121 HydrophobicContact CB-CD1 4.22Å; P114-L121 HydrophobicContact CG-CD1 3.79Å; Y115-L121 HydrophobicContact CD2-CB 3.75Å; Y115-L121 HydrophobicContact CD2-CD1 4.41Å; Y115-L121 HydrophobicContact CE2-CB 4.06Å; D118-L121 HydrophobicContact CB-CB 4.26Å; D118-L121 HydrophobicContact CB-CD1 3.93Å; D118-L121 HydrophobicContact CB-CG 3.97Å; D118-L121 PolarHBondContact O-N 3.02Å; L121-A124 PolarHBondContact O-N 3.4Å; L121-V125 WeakPolarHBondContact O-CG2 3.24Å; L121-V125 PolarHBondContact O-N 2.78Å; L121-V125 VanDerWaalsContact O-N 3.08Å
122H78.5Confident73.2Confident61 Ų6197.4 Ų97.428%0.28250%0.496SS..Hα-helixtrans-58.7-48.6170.3-71.4-67.8000111.6Y115 D118 A124 V125 D126Y115-H122 AromaticContact CD1-CE1 3.95Å; Y115-H122 AromaticContact CE1-CE1 3.36Å; Y115-H122 WeakPolarHBondContact CE1-CE1 3.48Å; Y115-H122 AromaticContact CE1-ND1 3.53Å; Y115-H122 AromaticContact CZ-CE1 3.84Å; Y115-H122 AromaticContact CZ-ND1 3.51Å; Y115-H122 PolarHBondContact O-NE2 2.97Å; Y115-H122 PolarHBondContact OH-ND1 2.85Å; D118-H122 PolarHBondContact O-CD2 2.89Å; D118-H122 VanDerWaalsContact O-CD2 3.31Å; D118-H122 PolarHBondContact O-N 2.7Å; H122-A124 VanDerWaalsContact C-N 3.31Å; H122-A124 PolarHBondContact O-N 2.84Å; H122-V125 PolarHBondContact O-N 2.91Å; H122-D126 VanDerWaalsContact O-CG 3.31Å; H122-D126 PolarHBondContact O-N 3.34Å
123R76.3Confident73.2Confident164 Ų16496.4 Ų96.462%0.61949%0.488SS*.Hα-helixtrans-62-35.9176.2-75.7-178.8-179.9166.51.5113.2L119 L120 D126 T127L119-R123 WeakPolarHBondContact O-CG 3.46Å; L119-R123 PolarHBondContact O-N 2.91Å; L119-R123 VanDerWaalsContact O-N 3.09Å; L120-R123 PolarHBondContact O-N 2.84Å; R123-D126 PolarHBondContact O-N 3.11Å; R123-T127 WeakPolarHBondContact O-CB 3.38Å; R123-T127 PolarHBondContact O-N 3.28Å; R123-T127 PolarHBondContact O-OG1 2.86Å
124A74.6Confident73.9Confident55 Ų5597 Ų9746%0.45549%0.49SS..Hα-helixtrans-63.4-42.6176.500000111.2L120 L121 H122 T127 A128L120-A124 WeakPolarHBondContact O-CB 3.31Å; L120-A124 PolarHBondContact O-N 3.12Å; L121-A124 PolarHBondContact O-N 3.4Å; H122-A124 VanDerWaalsContact C-N 3.31Å; H122-A124 PolarHBondContact O-N 2.84Å; A124-T127 PolarHBondContact O-N 2.87Å; A124-A128 WeakPolarHBondContact O-CB 3.34Å; A124-A128 PolarHBondContact O-N 3.28Å
125V79.4Confident74.7Confident20 Ų2097.2 Ų97.212%0.12148%0.484CS..Hα-helixtrans-64.8-42.1174.4171.30000111.4V105 V107 Y115 L121 H122 T127 A128 Q129V105-V125 HydrophobicContact CG1-CG1 4Å; V107-V125 HydrophobicContact CG2-CG1 3.82Å; V107-V125 HydrophobicContact CG2-CG2 3.96Å; Y115-V125 HydrophobicContact CE2-CG2 3.67Å; L121-V125 WeakPolarHBondContact O-CG2 3.24Å; L121-V125 PolarHBondContact O-N 2.78Å; L121-V125 VanDerWaalsContact O-N 3.08Å; H122-V125 PolarHBondContact O-N 2.91Å; V125-T127 VanDerWaalsContact C-N 3.29Å; V125-T127 PolarHBondContact O-N 2.94Å; V125-A128 PolarHBondContact O-N 3Å; V125-Q129 PolarHBondContact O-N 3.15Å
126D77.4Confident75.2Confident85 Ų8599.1 Ų99.146%0.45550%0.498SS..Hα-helixtrans-60.9-38.9176-64.6-25000112.3H122 R123 R135H122-D126 VanDerWaalsContact O-CG 3.31Å; H122-D126 PolarHBondContact O-N 3.34Å; R123-D126 PolarHBondContact O-N 3.11Å; D126-R135 IonicContact OD1-CZ 3.55Å; D126-R135 IonicContact OD1-NH1 2.78Å; D126-R135 PolarHBondContact OD1-NH1 3.21Å; D126-R135 IonicContact OD1-NH2 2.69Å; D126-R135 PolarHBondContact OD1-NH2 2.9Å
127T75.8Confident75.8Confident121 Ų12199.6 Ų99.674%0.74249%0.489SS*.Hα-helixtrans-76-32.2-179.5-51.20000112.2R123 A124 V125R123-T127 WeakPolarHBondContact O-CB 3.38Å; R123-T127 PolarHBondContact O-N 3.28Å; R123-T127 PolarHBondContact O-OG1 2.86Å; A124-T127 PolarHBondContact O-N 2.87Å; V125-T127 VanDerWaalsContact C-N 3.29Å; V125-T127 PolarHBondContact O-N 2.94Å
128A73.8Confident76.4Confident72 Ų7295.2 Ų95.260%0.59547%0.47SS*.Hα-helixtrans-75.1-23.3179.500000113.4A124 V125A124-A128 WeakPolarHBondContact O-CB 3.34Å; A124-A128 PolarHBondContact O-N 3.28Å; V125-A128 PolarHBondContact O-N 3Å
129Q73.8Confident76.5Confident52 Ų5294.5 Ų94.524%0.24347%0.469CS..SBendtrans-78.9128.8-178.3-172.6177.9-500111.9V105 V125 G133V105-Q129 HydrophobicContact CG2-CB 3.85Å; V105-Q129 HydrophobicContact CG2-CG 4.24Å; V125-Q129 PolarHBondContact O-N 3.15Å; Q129-G133 PolarHBondContact NE2-O 3.14Å
130K73.7Confident76.4Confident133 Ų13391.5 Ų91.558%0.57846%0.463SS*.  trans-71.4153.9170.5-69.2178.4-179.5166.40110.8S102 E132 G133S102-K130 PolarHBondContact O-NZ 3.01Å; K130-E132 PolarHBondContact O-N 3.15Å; K130-E132 VanDerWaalsContact O-N 3.08Å; K130-G133 PolarHBondContact O-N 3.09Å
131R72.6Confident76.5Confident262 Ų26290.9 Ų90.999%0.98947%0.465SS*.THydrogen-bonded Turntrans-52.2-33.7-179.1-73.3-175.1176.7175.8-1.1114.6
132E77.1Confident76.7Confident189 Ų18990 Ų9088%0.88346%0.462SS*.THydrogen-bonded Turntrans-99.4-0179.4-62.2179.6173.500113.3K130K130-E132 PolarHBondContact O-N 3.15Å; K130-E132 VanDerWaalsContact O-N 3.08Å
133G69.7Low76.8Confident9 Ų991.6 Ų91.69%0.09347%0.473CS..PPolyproline II helixtrans-71.7141.9-177.600000113C103 Q129 K130C103-G133 WeakPolarHBondContact O-CA 3.31Å; Q129-G133 PolarHBondContact NE2-O 3.14Å; K130-G133 PolarHBondContact O-N 3.09Å
134K75.6Confident77.1Confident159 Ų15992.4 Ų92.469%0.69148%0.481SS*.PPolyproline II helixtrans-89.6143.6170.3-61-179179.1173.70110.5C104 V105C104-K134 CarbonylContact C-O 3.6Å; C104-K134 WeakPolarHBondContact CA-O 3.23Å; C104-K134 VanDerWaalsContact CB-O 3.3Å; C104-K134 WeakPolarHBondContact CB-O 3.22Å; V105-K134 PolarHBondContact N-O 2.92Å
135R78.4Confident77.4Confident63 Ų6392.5 Ų92.524%0.23848%0.482CS..EExtended strand (participates in β ladder)trans-102.5129.4174.3-168.7178.9-64.7-170.7-0.8109.7V105 D126 Y137V105-R135 WeakPolarHBondContact O-CA 3.39Å; D126-R135 IonicContact OD1-CZ 3.55Å; D126-R135 IonicContact OD1-NH1 2.78Å; D126-R135 PolarHBondContact OD1-NH1 3.21Å; D126-R135 IonicContact OD1-NH2 2.69Å; D126-R135 PolarHBondContact OD1-NH2 2.9Å; R135-Y137 WeakPolarHBondContact CD-OH 3.09Å; R135-Y137 HydrophobicContact CG-CE1 4.16Å; R135-Y137 HydrophobicContact CG-CE2 4.2Å; R135-Y137 PolarHBondContact NH1-OH 2.85Å; R135-Y137 VanDerWaalsContact NH1-OH 3.16Å
136V82Confident77.4Confident64 Ų6492.8 Ų92.839%0.38848%0.482SS..EExtended strand (participates in β ladder)trans-119.4118.7177.6-176.60000108.6V105 I106 V107 L138V105-V136 PolarHBondContact O-N 3.45Å; I106-V136 WeakPolarHBondContact CA-O 3.38Å; I106-V136 HydrophobicContact CG1-CB 4.31Å; V107-V136 PolarHBondContact N-O 3.16Å; V136-L138 HydrophobicContact CG1-CD2 4.2Å
137Y82.6Confident77.6Confident64 Ų6493.8 Ų93.825%0.25148%0.483SS..EExtended strand (participates in β ladder)trans-96126.3174.5-61.9-70.6000109.9V107 V110 R135 L146 V150V107-Y137 HydrophobicContact CB-CD1 4.01Å; V107-Y137 HydrophobicContact CB-CE1 4.46Å; V107-Y137 HydrophobicContact CG2-CD1 4.28Å; V107-Y137 HydrophobicContact CG2-CE1 4.29Å; V110-Y137 HydrophobicContact CB-CD1 4.22Å; V110-Y137 HydrophobicContact CG2-CD1 3.56Å; V110-Y137 HydrophobicContact CG2-CE1 4.04Å; V110-Y137 HydrophobicContact CG2-CG 4.39Å; R135-Y137 WeakPolarHBondContact CD-OH 3.09Å; R135-Y137 HydrophobicContact CG-CE1 4.16Å; R135-Y137 HydrophobicContact CG-CE2 4.2Å; R135-Y137 PolarHBondContact NH1-OH 2.85Å; R135-Y137 VanDerWaalsContact NH1-OH 3.16Å; Y137-L146 HydrophobicContact CD1-CD1 4.26Å; Y137-L146 HydrophobicContact CD2-CD1 3.78Å; Y137-L146 HydrophobicContact CE1-CD1 4.49Å; Y137-L146 HydrophobicContact CE2-CD1 4.02Å; Y137-L146 HydrophobicContact CG-CD1 3.89Å; Y137-V150 HydrophobicContact CD2-CG1 3.66Å; Y137-V150 HydrophobicContact CE2-CG1 4.15Å
138L82.3Confident77.9Confident63 Ų6396.7 Ų96.733%0.3349%0.485SS..  trans-105124.3170.9-52.7174.3000108.3I106 V107 D108 E109 V110 V136I106-L138 HydrophobicContact CG2-CD1 3.68Å; I106-L138 HydrophobicContact CG2-CG 4.01Å; V107-L138 PolarHBondContact O-N 3.45Å; D108-L138 HydrophobicContact CB-CD1 4.31Å; E109-L138 PolarHBondContact N-O 2.82Å; V110-L138 PolarHBondContact N-O 3.45Å; V136-L138 HydrophobicContact CG1-CD2 4.2Å
139S78Confident78.3Confident38 Ų3897.8 Ų97.827%0.26649%0.485SS..  trans-145.5138.2-178.6-170.90000110.3D111 T141 P142D111-S139 WeakPolarHBondContact CB-OG 3.48Å; D111-S139 WeakPolarHBondContact OD1-CA 3.48Å; D111-S139 WeakPolarHBondContact OD1-CB 3.37Å; D111-S139 PolarHBondContact OD1-OG 3.3Å; D111-S139 PolarHBondContact OD2-OG 2.95Å; S139-T141 VanDerWaalsContact OG-C 3.27Å; S139-T141 PolarHBondContact OG-N 3.4Å; S139-P142 WeakPolarHBondContact OG-CA 3.32Å; S139-P142 WeakPolarHBondContact OG-CD 3.27Å
140A75.7Confident78.6Confident70 Ų7097.3 Ų97.358%0.57949%0.485SS*.SBendtrans-83.1-32.3168.400000111P142A140-P142 VanDerWaalsContact C-CD 3.5Å
141T76.7Confident78.9Confident105 Ų10599 Ų9964%0.64450%0.5SS*.SBendtrans-130.766.7-178.840.70000112.3D111 S139 D143D111-T141 WeakPolarHBondContact OD2-CA 3.46Å; D111-T141 WeakPolarHBondContact OD2-CB 3.17Å; D111-T141 PolarHBondContact OD2-N 3.46Å; D111-T141 PolarHBondContact OD2-OG1 2.91Å; S139-T141 VanDerWaalsContact OG-C 3.27Å; S139-T141 PolarHBondContact OG-N 3.4Å; T141-D143 PolarHBondContact O-N 3.17Å
142P77.6Confident79.2Confident41 Ų4195.5 Ų95.527%0.26649%0.487SS..  trans-66.3127.5-179.324.1-31.7000110.9S139 A140 L146 K147S139-P142 WeakPolarHBondContact OG-CA 3.32Å; S139-P142 WeakPolarHBondContact OG-CD 3.27Å; A140-P142 VanDerWaalsContact C-CD 3.5Å; P142-L146 HydrophobicContact CB-CD2 3.86Å; P142-K147 HydrophobicContact CB-CG 4.23Å; P142-K147 WeakPolarHBondContact O-CE 3.49Å
143D79.7Confident79.3Confident94 Ų9490.1 Ų90.150%0.50347%0.467SS..  trans-72.1171.1179.279.6-16.1000112T141 A145 L146 K147T141-D143 PolarHBondContact O-N 3.17Å; D143-A145 PolarHBondContact O-N 2.94Å; D143-A145 PolarHBondContact OD1-N 2.96Å; D143-L146 WeakPolarHBondContact OD1-CA 3.36Å; D143-L146 WeakPolarHBondContact OD1-CB 3.49Å; D143-L146 PolarHBondContact OD1-N 2.99Å; D143-K147 WeakPolarHBondContact O-CG 3.26Å; D143-K147 PolarHBondContact O-N 3.29Å; D143-K147 VanDerWaalsContact O-N 3.15Å
144K82.1Confident79.7Confident181 Ų18198.3 Ų98.379%0.78750%0.496SS*.Hα-helixtrans-66.1-27.6-178.8-70.6-176.2-178176.80112.3K148K144-K148 WeakPolarHBondContact O-CG 3.3Å; K144-K148 PolarHBondContact O-N 3.24Å
145A81.2Confident79.6Confident57 Ų5799.9 Ų99.947%0.47150%0.499SS..Hα-helixtrans-72-49.6179.500000110.6D143 K147 K148 T149D143-A145 PolarHBondContact O-N 2.94Å; D143-A145 PolarHBondContact OD1-N 2.96Å; A145-K147 VanDerWaalsContact C-N 3.33Å; A145-K147 PolarHBondContact O-N 2.79Å; A145-K148 WeakPolarHBondContact O-CB 3.28Å; A145-K148 PolarHBondContact O-N 3.29Å; A145-T149 PolarHBondContact O-N 3.19Å; A145-T149 VanDerWaalsContact O-N 3.17Å
146L80.4Confident79Confident27 Ų27104.1 Ų104.114%0.14153%0.526CS..Hα-helixtrans-58.8-44.2177.1-17666.3000111.6V110 Y137 P142 D143 K148 T149 V150V110-L146 HydrophobicContact CG1-CD2 3.44Å; V110-L146 VanDerWaalsContact CG1-CD2 3.44Å; V110-L146 HydrophobicContact CG2-CD1 4.46Å; V110-L146 HydrophobicContact CG2-CD2 4.44Å; Y137-L146 HydrophobicContact CD1-CD1 4.26Å; Y137-L146 HydrophobicContact CD2-CD1 3.78Å; Y137-L146 HydrophobicContact CE1-CD1 4.49Å; Y137-L146 HydrophobicContact CE2-CD1 4.02Å; Y137-L146 HydrophobicContact CG-CD1 3.89Å; P142-L146 HydrophobicContact CB-CD2 3.86Å; D143-L146 WeakPolarHBondContact OD1-CA 3.36Å; D143-L146 WeakPolarHBondContact OD1-CB 3.49Å; D143-L146 PolarHBondContact OD1-N 2.99Å; L146-K148 PolarHBondContact O-N 3.04Å; L146-T149 WeakPolarHBondContact CA-OG1 3.39Å; L146-T149 PolarHBondContact O-N 3.33Å; L146-T149 PolarHBondContact O-OG1 2.83Å; L146-V150 PolarHBondContact O-N 2.89Å
147K80.8Confident77.9Confident105 Ų105106.5 Ų106.546%0.45754%0.543SS..Hα-helixtrans-60-29.1176-73.7-178-175.8179.70113.7P142 D143 A145P142-K147 HydrophobicContact CB-CG 4.23Å; P142-K147 WeakPolarHBondContact O-CE 3.49Å; D143-K147 WeakPolarHBondContact O-CG 3.26Å; D143-K147 PolarHBondContact O-N 3.29Å; D143-K147 VanDerWaalsContact O-N 3.15Å; A145-K147 VanDerWaalsContact C-N 3.33Å; A145-K147 PolarHBondContact O-N 2.79Å
148K83.1Confident76.6Confident183 Ų183107.3 Ų107.380%0.79656%0.562SS**Hα-helixtrans-79.3-24.4175.2-72.7175.2179.2-172.80112.7K144 A145 L146K144-K148 WeakPolarHBondContact O-CG 3.3Å; K144-K148 PolarHBondContact O-N 3.24Å; A145-K148 WeakPolarHBondContact O-CB 3.28Å; A145-K148 PolarHBondContact O-N 3.29Å; L146-K148 PolarHBondContact O-N 3.04Å
149T80.7Confident75.2Confident95 Ų95112.3 Ų112.358%0.58358%0.577SS**Hα-helixtrans-83.4-11.3-180560000114.6A145 L146A145-T149 PolarHBondContact O-N 3.19Å; A145-T149 VanDerWaalsContact O-N 3.17Å; L146-T149 WeakPolarHBondContact CA-OG1 3.39Å; L146-T149 PolarHBondContact O-N 3.33Å; L146-T149 PolarHBondContact O-OG1 2.83Å
150V81.8Confident73.6Confident41 Ų41121.3 Ų121.325%0.24861%0.607CS.*  trans-108.5136-176.7-62.60000111.7Y137 L146 V153Y137-V150 HydrophobicContact CD2-CG1 3.66Å; Y137-V150 HydrophobicContact CE2-CG1 4.15Å; L146-V150 PolarHBondContact O-N 2.89Å; V150-V153 HydrophobicContact CG2-CG2 3.82Å
151D79Confident72.5Confident169 Ų169124.3 Ų124.390%0.90461%0.608SS**SBendtrans-73.5-31.1179.7-60.2-37000112.9
152R78.4Confident71.4Confident189 Ų189130.2 Ų130.271%0.71362%0.619SS**  trans-141.4137-175.1-66.2-175177.6-179.7-1.3111Y154R152-Y154 HydrophobicContact CB-CE2 3.93Å
153V80.3Confident70.1Confident75 Ų75139.2 Ų139.246%0.45565%0.647SS.*  trans-116121.2176.8-175.90000108.6V150 Y155V150-V153 HydrophobicContact CG2-CG2 3.82Å; V153-Y155 HydrophobicContact CG1-CE2 4.07Å
154Y77.6Confident68.8Low182 Ų182144.4 Ų144.471%0.71467%0.665SS**  trans-105.3130.8174.2-63.8-86000109.4R152R152-Y154 HydrophobicContact CB-CE2 3.93Å
155Y73.7Confident67.3Low191 Ų191140.7 Ų140.775%0.74965%0.654SS**PPolyproline II helixtrans-95.7120.1175.1-66.3-85.5000109.1V153V153-Y155 HydrophobicContact CG1-CE2 4.07Å
156L65.3Low65.8Low152 Ų152143.4 Ų143.480%0.79667%0.666SS**PPolyproline II helixtrans-67.6131.2170.9-74.7163.3000108.9
157P58.1Low64.4Low115 Ų115147.1 Ų147.175%0.74769%0.69SS**PPolyproline II helixtrans-59.1146.7177.923.9-32.1000110R159P157-R159 PolarHBondContact O-N 2.85Å
158A55.5Low63.1Low80 Ų80143.3 Ų143.366%0.66168%0.676SS**PPolyproline II helixtrans-50.5135.8176.100000109.6Y160A158-Y160 PolarHBondContact O-N 2.9Å
159R53Low62Low168 Ų168143.5 Ų143.563%0.63468%0.68SS**PPolyproline II helixtrans-46.7146.6178.2-59.5-175.2-143.2178.35.8109.4P157 H161 R162P157-R159 PolarHBondContact O-N 2.85Å; R159-H161 PolarHBondContact O-N 2.8Å; R159-R162 PolarHBondContact O-N 2.83Å
160Y45.5Very low61.4Low228 Ų228142.3 Ų142.389%0.89467%0.67SS**THydrogen-bonded Turntrans-41-22.2-175.8178.8-99.8000116.1A158A158-Y160 PolarHBondContact O-N 2.9Å
161H53.2Low61.1Low132 Ų132149.5 Ų149.561%0.61170%0.701SS**THydrogen-bonded Turntrans-88.5-11.3-171.5-131.9000112.1R159 R163R159-H161 PolarHBondContact O-N 2.8Å; H161-R163 WeakPolarHBondContact O-CG 3.11Å; H161-R163 PolarHBondContact O-N 3.35Å
162R53.4Low60.9Low229 Ų229146.6 Ų146.686%0.86468%0.682SS**  trans46.210.3176.7-67.1-172.5-179.9-178.71117.7R159R159-R162 PolarHBondContact O-N 2.83Å
163R49.3Very low60.5Low230 Ų230140.7 Ų140.787%0.86866%0.66SS**PPolyproline II helixtrans-96.3136.2177.8-69.6174.3-175.6179.10.9109.6H161H161-R163 WeakPolarHBondContact O-CG 3.11Å; H161-R163 PolarHBondContact O-N 3.35Å
164K52.8Low60.2Low203 Ų203143.8 Ų143.888%0.88367%0.673SS**PPolyproline II helixtrans-58.6145.2167.5-70.3-176.2177.8-179.40108.6
165L49.6Very low60.3Low104 Ų104140 Ų14055%0.54566%0.664SS.*PPolyproline II helixtrans-59.4136.9166.7-71.6165.4000108.2V167L165-V167 PolarHBondContact O-N 3.21Å; L165-V167 VanDerWaalsContact O-N 3.14Å
166P50.2Low60.4Low113 Ų113133.4 Ų133.473%0.73464%0.639SS**  trans-64.6113.2175.225.2-31.5000109.5
167V51.7Low60.8Low106 Ų106126.7 Ų126.764%0.64260%0.604SS**  trans-76128.2178.2-175.20000108.9L165 Q169L165-V167 PolarHBondContact O-N 3.21Å; L165-V167 VanDerWaalsContact O-N 3.14Å; V167-Q169 PolarHBondContact O-N 2.96Å
168P53.5Low61.6Low25 Ų25125.8 Ų125.816%0.16259%0.59CS.*  trans-60.2123.2174.6-19.230.4000110.7D170 T192P168-D170 VanDerWaalsContact C-N 3.35Å; P168-T192 HydrophobicContact CB-CG2 4.12Å; P168-T192 HydrophobicContact CG-CG2 4.08Å; P168-T192 WeakPolarHBondContact CG-OG1 3.45Å
169Q59.9Low62.6Low186 Ų186123 Ų12387%0.86956%0.564SS**  trans-91.513.7-177.2-66-174.7-3.900114.2V167 Q171V167-Q169 PolarHBondContact O-N 2.96Å; Q169-Q171 PolarHBondContact O-N 3.37Å
170D67.3Low63.4Low70 Ų70116.2 Ų116.237%0.37454%0.54SS..  trans-67.8108.8-177.5-178.44.1000110.8P168 E172 R173 K176P168-D170 VanDerWaalsContact C-N 3.35Å; D170-E172 PolarHBondContact O-N 3Å; D170-E172 PolarHBondContact OD1-N 2.68Å; D170-E172 VanDerWaalsContact OD1-N 3.07Å; D170-R173 HydrophobicContact CB-CB 4.1Å; D170-R173 WeakPolarHBondContact O-CB 3.33Å; D170-R173 PolarHBondContact O-N 3.2Å; D170-K176 IonicContact OD1-NZ 3.66Å; D170-K176 PolarHBondContact OD1-NZ 2.91Å; D170-K176 VanDerWaalsContact OD2-CD 3.29Å; D170-K176 WeakPolarHBondContact OD2-CD 3.38Å; D170-K176 IonicContact OD2-NZ 3.76Å; D170-K176 PolarHBondContact OD2-NZ 2.85Å
171Q75.8Confident64.6Low193 Ų193110.8 Ų110.890%0.90252%0.518SS*.THydrogen-bonded Turntrans-59.3-28.2-179.6-68.4-176.8-11.300112.3Q169Q169-Q171 PolarHBondContact O-N 3.37Å
172E74Confident65.7Low108 Ų108108.8 Ų108.851%0.50552%0.515SS..THydrogen-bonded Turntrans-94.53.7179.5-62.2-176.5158.800112.9D170 L174 I175 K176D170-E172 PolarHBondContact O-N 3Å; D170-E172 PolarHBondContact OD1-N 2.68Å; D170-E172 VanDerWaalsContact OD1-N 3.07Å; E172-L174 PolarHBondContact O-N 3.38Å; E172-L174 VanDerWaalsContact O-N 3.13Å; E172-I175 PolarHBondContact O-N 2.92Å; E172-K176 HydrophobicContact CB-CD 4.17Å; E172-K176 HydrophobicContact CB-CG 4.3Å; E172-K176 WeakPolarHBondContact O-CG 3.38Å; E172-K176 PolarHBondContact O-N 3.05Å; E172-K176 WeakPolarHBondContact OE2-CE 3.32Å; E172-K176 IonicContact OE2-NZ 2.64Å; E172-K176 PolarHBondContact OE2-NZ 2.88Å
173R70.8Confident66.5Low65 Ų65100.2 Ų100.225%0.24550%0.498CS..Hα-helixtrans-49.5-45.7-175.4-178.6179.6179.1-85.14.5112.4D170 K176 V177D170-R173 HydrophobicContact CB-CB 4.1Å; D170-R173 WeakPolarHBondContact O-CB 3.33Å; D170-R173 PolarHBondContact O-N 3.2Å; R173-K176 PolarHBondContact O-N 3.08Å; R173-V177 HydrophobicContact CG-CG2 4.39Å; R173-V177 WeakPolarHBondContact O-CB 3.46Å; R173-V177 VanDerWaalsContact O-CG2 3.28Å; R173-V177 WeakPolarHBondContact O-CG2 3.39Å; R173-V177 PolarHBondContact O-N 3.26Å
174L73.6Confident67.7Low139 Ų13996.2 Ų96.273%0.72849%0.487SS*.Hα-helixtrans-60.3-49.7179.3-76.4164.8000111.4E172 K176 V177 E178E172-L174 PolarHBondContact O-N 3.38Å; E172-L174 VanDerWaalsContact O-N 3.13Å; L174-K176 VanDerWaalsContact C-N 3.28Å; L174-K176 PolarHBondContact O-N 3.46Å; L174-V177 PolarHBondContact O-N 2.87Å; L174-E178 WeakPolarHBondContact O-CB 3.25Å; L174-E178 PolarHBondContact O-N 2.91Å
175I80.3Confident68Low102 Ų10290.6 Ų90.652%0.52346%0.461SS..Hα-helixtrans-61.8-39178.2-60.9168.3000110.3E172 E178 N179E172-I175 PolarHBondContact O-N 2.92Å; I175-E178 PolarHBondContact O-N 2.8Å; I175-N179 VanDerWaalsContact O-CB 3.29Å; I175-N179 WeakPolarHBondContact O-CB 3.25Å; I175-N179 PolarHBondContact O-N 3.22Å; I175-N179 PolarHBondContact O-ND2 2.83Å
176K75.1Confident68.1Low54 Ų5491.4 Ų91.424%0.23546%0.462CS..Hα-helixtrans-70.1-44.1-178.9-69.8169.2-178162.20112.9D170 E172 R173 L174 E178 N179 M180 Y185D170-K176 IonicContact OD1-NZ 3.66Å; D170-K176 PolarHBondContact OD1-NZ 2.91Å; D170-K176 VanDerWaalsContact OD2-CD 3.29Å; D170-K176 WeakPolarHBondContact OD2-CD 3.38Å; D170-K176 IonicContact OD2-NZ 3.76Å; D170-K176 PolarHBondContact OD2-NZ 2.85Å; E172-K176 HydrophobicContact CB-CD 4.17Å; E172-K176 HydrophobicContact CB-CG 4.3Å; E172-K176 WeakPolarHBondContact O-CG 3.38Å; E172-K176 PolarHBondContact O-N 3.05Å; E172-K176 WeakPolarHBondContact OE2-CE 3.32Å; E172-K176 IonicContact OE2-NZ 2.64Å; E172-K176 PolarHBondContact OE2-NZ 2.88Å; R173-K176 PolarHBondContact O-N 3.08Å; L174-K176 VanDerWaalsContact C-N 3.28Å; L174-K176 PolarHBondContact O-N 3.46Å; K176-E178 VanDerWaalsContact C-N 3.3Å; K176-N179 PolarHBondContact O-N 3.37Å; K176-M180 WeakPolarHBondContact O-CB 3.49Å; K176-M180 PolarHBondContact O-N 3Å; K176-Y185 HydrophobicContact CB-CE2 4.07Å; K176-Y185 HydrophobicContact CG-CE2 4.06Å; K176-Y185 WeakPolarHBondContact O-CD2 3.45Å
177V73.5Confident68Low10 Ų1091.6 Ų91.66%0.06146%0.455CS..Hα-helixtrans-62.4-41.4174171.90000110.2R173 L174 M180 R181 V198 F200R173-V177 HydrophobicContact CG-CG2 4.39Å; R173-V177 WeakPolarHBondContact O-CB 3.46Å; R173-V177 VanDerWaalsContact O-CG2 3.28Å; R173-V177 WeakPolarHBondContact O-CG2 3.39Å; R173-V177 PolarHBondContact O-N 3.26Å; L174-V177 PolarHBondContact O-N 2.87Å; V177-M180 PolarHBondContact O-N 3.1Å; V177-R181 WeakPolarHBondContact O-CG 3.08Å; V177-R181 PolarHBondContact O-N 3.15Å; V177-V198 HydrophobicContact CG1-CG1 4.02Å; V177-V198 HydrophobicContact CG2-CG1 4.11Å; V177-V198 HydrophobicContact CG2-CG2 4.25Å; V177-F200 HydrophobicContact CG1-CE1 4.21Å
178E75Confident68.4Low96 Ų9688.7 Ų88.745%0.44944%0.436SS..Hα-helixtrans-67.4-41.8178.2-165.756.6-146.200112.4L174 I175 K176 M180 R181 T182L174-E178 WeakPolarHBondContact O-CB 3.25Å; L174-E178 PolarHBondContact O-N 2.91Å; I175-E178 PolarHBondContact O-N 2.8Å; K176-E178 VanDerWaalsContact C-N 3.3Å; E178-M180 VanDerWaalsContact C-N 3.27Å; E178-M180 PolarHBondContact O-N 2.84Å; E178-R181 PolarHBondContact O-N 3.28Å; E178-R181 IonicContact OE2-NH1 2.83Å; E178-T182 WeakPolarHBondContact O-CB 3.44Å; E178-T182 WeakPolarHBondContact O-CG2 3.41Å; E178-T182 PolarHBondContact O-N 2.87Å; E178-T182 PolarHBondContact O-OG1 3.19Å
179N78Confident68.2Low22 Ų2292.6 Ų92.612%0.11846%0.455CS..Hα-helixtrans-63.1-33.3172.8-73.4-20000112I175 K176 T182 G183 K184 Y185I175-N179 VanDerWaalsContact O-CB 3.29Å; I175-N179 WeakPolarHBondContact O-CB 3.25Å; I175-N179 PolarHBondContact O-N 3.22Å; I175-N179 PolarHBondContact O-ND2 2.83Å; K176-N179 PolarHBondContact O-N 3.37Å; N179-T182 WeakPolarHBondContact CA-OG1 3.33Å; N179-T182 PolarHBondContact O-OG1 3.4Å; N179-G183 PolarHBondContact O-N 3.28Å; N179-K184 HydrophobicContact CB-CB 4.1Å; N179-K184 HydrophobicContact CB-CD 4.22Å; N179-K184 CarbonylContact O-C 3.56Å; N179-K184 WeakPolarHBondContact O-CA 3.42Å; N179-K184 VanDerWaalsContact O-CB 3.3Å; N179-K184 WeakPolarHBondContact O-CB 3.36Å; N179-K184 PolarHBondContact O-N 2.97Å; N179-K184 WeakPolarHBondContact OD1-CD 3.4Å; N179-Y185 HydrophobicContact CB-CD1 4.18Å; N179-Y185 HydrophobicContact CB-CD2 3.45Å; N179-Y185 VanDerWaalsContact CB-CD2 3.45Å; N179-Y185 HydrophobicContact CB-CE1 4.06Å; N179-Y185 HydrophobicContact CB-CE2 3.38Å; N179-Y185 HydrophobicContact CB-CG 3.88Å; N179-Y185 PolarHBondContact ND2-OH 3.12Å; N179-Y185 VanDerWaalsContact ND2-OH 3.08Å; N179-Y185 PolarHBondContact O-N 2.82Å
180M69.9Low68Low26 Ų2686.7 Ų86.713%0.12843%0.432CS..Hα-helixtrans-71.6-40.8173.3-170.772.5-173.800111.7K176 V177 E178 G183 L188 F200 I203K176-M180 WeakPolarHBondContact O-CB 3.49Å; K176-M180 PolarHBondContact O-N 3Å; V177-M180 PolarHBondContact O-N 3.1Å; E178-M180 VanDerWaalsContact C-N 3.27Å; E178-M180 PolarHBondContact O-N 2.84Å; M180-G183 PolarHBondContact O-N 3.5Å; M180-L188 HydrophobicContact CE-CB 4.39Å; M180-L188 HydrophobicContact CG-CB 4.27Å; M180-L188 HydrophobicContact SD-CB 3.88Å; M180-F200 HydrophobicContact CB-CD1 4.06Å; M180-F200 HydrophobicContact CB-CE1 3.62Å; M180-F200 HydrophobicContact CB-CZ 4.41Å; M180-F200 HydrophobicContact CG-CD1 3.53Å; M180-F200 HydrophobicContact CG-CE1 3.39Å; M180-F200 HydrophobicContact CG-CG 4.28Å; M180-F200 HydrophobicContact CG-CZ 4.02Å; M180-I203 HydrophobicContact CE-CD1 4.1Å
181R69.8Low66.7Low113 Ų11389.1 Ų89.143%0.42645%0.449SS..Hα-helixtrans-64.3-40.8176.2-76.5176.6174.7159-3.2113V177 E178 G183 G197 T199 F200V177-R181 WeakPolarHBondContact O-CG 3.08Å; V177-R181 PolarHBondContact O-N 3.15Å; E178-R181 PolarHBondContact O-N 3.28Å; E178-R181 IonicContact OE2-NH1 2.83Å; R181-G183 PolarHBondContact O-N 2.63Å; R181-G197 PolarHBondContact NH2-O 3.37Å; R181-G197 VanDerWaalsContact NH2-O 3.13Å; R181-T199 PolarHBondContact NE-O 3.24Å; R181-F200 HydrophobicContact CG-CD1 4.34Å
182T77Confident65.4Low91 Ų9182.3 Ų82.356%0.55842%0.421SS*.THydrogen-bonded Turntrans-76.20.1176.554.20000113.3E178 N179 K184E178-T182 WeakPolarHBondContact O-CB 3.44Å; E178-T182 WeakPolarHBondContact O-CG2 3.41Å; E178-T182 PolarHBondContact O-N 2.87Å; E178-T182 PolarHBondContact O-OG1 3.19Å; N179-T182 WeakPolarHBondContact CA-OG1 3.33Å; N179-T182 PolarHBondContact O-OG1 3.4Å; T182-K184 PolarHBondContact O-N 2.85Å
183G70.6Confident64.3Low48 Ų4884.3 Ų84.350%0.49543%0.434SS..THydrogen-bonded Turntrans72.67.1-178.600000114.6N179 M180 R181 Y185N179-G183 PolarHBondContact O-N 3.28Å; M180-G183 PolarHBondContact O-N 3.5Å; R181-G183 PolarHBondContact O-N 2.63Å; G183-Y185 VanDerWaalsContact C-N 3.3Å
184K74.3Confident63.5Low147 Ų14783.7 Ų83.764%0.63944%0.435SS*.SBendtrans-64.9-36.3173.3-170.1-179.5-178.4-178.20111.1N179 T182N179-K184 HydrophobicContact CB-CB 4.1Å; N179-K184 HydrophobicContact CB-CD 4.22Å; N179-K184 CarbonylContact O-C 3.56Å; N179-K184 WeakPolarHBondContact O-CA 3.42Å; N179-K184 VanDerWaalsContact O-CB 3.3Å; N179-K184 WeakPolarHBondContact O-CB 3.36Å; N179-K184 PolarHBondContact O-N 2.97Å; N179-K184 WeakPolarHBondContact OD1-CD 3.4Å; T182-K184 PolarHBondContact O-N 2.85Å
185Y58.7Low62.4Low85 Ų8580.2 Ų80.233%0.33342%0.415SS..  trans-99.4133.8166.4-59-27.1000110.2K176 N179 G183K176-Y185 HydrophobicContact CB-CE2 4.07Å; K176-Y185 HydrophobicContact CG-CE2 4.06Å; K176-Y185 WeakPolarHBondContact O-CD2 3.45Å; N179-Y185 HydrophobicContact CB-CD1 4.18Å; N179-Y185 HydrophobicContact CB-CD2 3.45Å; N179-Y185 VanDerWaalsContact CB-CD2 3.45Å; N179-Y185 HydrophobicContact CB-CE1 4.06Å; N179-Y185 HydrophobicContact CB-CE2 3.38Å; N179-Y185 HydrophobicContact CB-CG 3.88Å; N179-Y185 PolarHBondContact ND2-OH 3.12Å; N179-Y185 VanDerWaalsContact ND2-OH 3.08Å; N179-Y185 PolarHBondContact O-N 2.82Å; G183-Y185 VanDerWaalsContact C-N 3.3Å
186Q50.6Low60.8Low121 Ų12183.3 Ų83.357%0.56542%0.42SS*.SBendtrans-99.9-15177.8-64.6159.329.200111.7R273Q186-R273 VanDerWaalsContact OE1-CZ 3.31Å
187L48.5Very low59.6Low116 Ų11683.7 Ų83.761%0.60744%0.439SS*.  trans-142.8133179.8-172.576.6000108.4L189L187-L189 HydrophobicContact CD2-CD1 3.9Å; L187-L189 HydrophobicContact CD2-CD2 4.36Å; L187-L189 HydrophobicContact CD2-CG 3.92Å; L187-L189 HydrophobicContact CG-CG 4.19Å
188L59.2Low58.6Low46 Ų4684.4 Ų84.424%0.24144%0.444CS..  trans-121.8109.4171.6-177.970.8000108.6M180 L194 F200M180-L188 HydrophobicContact CE-CB 4.39Å; M180-L188 HydrophobicContact CG-CB 4.27Å; M180-L188 HydrophobicContact SD-CB 3.88Å; L188-L194 HydrophobicContact CD2-CD1 3.71Å; L188-L194 HydrophobicContact CD2-CD2 4.35Å; L188-F200 HydrophobicContact CD2-CE1 4.27Å; L188-F200 HydrophobicContact CD2-CE2 3.97Å; L188-F200 HydrophobicContact CD2-CZ 3.37Å
189L49.8Very low57.3Low106 Ų10684 Ų8456%0.55545%0.448SS*.  trans-98.3125.3172.5-65.5169.9000108.5L187 I269L187-L189 HydrophobicContact CD2-CD1 3.9Å; L187-L189 HydrophobicContact CD2-CD2 4.36Å; L187-L189 HydrophobicContact CD2-CG 3.92Å; L187-L189 HydrophobicContact CG-CG 4.19Å; L189-I269 HydrophobicContact CD1-CD1 4.34Å
190T56.1Low56.4Low63 Ų6384.3 Ų84.339%0.38745%0.448SS..  trans-136.5135.9-177.2173.60000109.8T192 L194T190-T192 VanDerWaalsContact C-N 3.3Å; T190-T192 WeakPolarHBondContact CG2-O 3.49Å; T190-T192 PolarHBondContact OG1-N 3.08Å; T190-T192 VanDerWaalsContact OG1-N 3.15Å; T190-T192 PolarHBondContact OG1-O 3.34Å; T190-T192 PolarHBondContact OG1-OG1 3.45Å; T190-L194 HydrophobicContact CG2-CD1 3.97Å; T190-L194 HydrophobicContact CG2-CD2 4.2Å; T190-L194 HydrophobicContact CG2-CG 3.8Å
191T40.9Very low55.1Low120 Ų12091.6 Ų91.674%0.73648%0.482SS*.SBendtrans-85-10.3174.553.60000112.4
192T47.2Very low53.7Low51 Ų5197.9 Ų97.931%0.31351%0.506SS..SBendtrans-107.1139.5176.159.20000109.2P168 T190 L194P168-T192 HydrophobicContact CB-CG2 4.12Å; P168-T192 HydrophobicContact CG-CG2 4.08Å; P168-T192 WeakPolarHBondContact CG-OG1 3.45Å; T190-T192 VanDerWaalsContact C-N 3.3Å; T190-T192 WeakPolarHBondContact CG2-O 3.49Å; T190-T192 PolarHBondContact OG1-N 3.08Å; T190-T192 VanDerWaalsContact OG1-N 3.15Å; T190-T192 PolarHBondContact OG1-O 3.34Å; T190-T192 PolarHBondContact OG1-OG1 3.45Å; T192-L194 PolarHBondContact O-N 2.84Å
193I51.8Low51.9Low150 Ų15098.2 Ų98.277%0.76950%0.503SS*.  trans-53.1121164-62.9171.9000105.3E195I193-E195 PolarHBondContact O-N 3.43Å
194L54.5Low50.1Low51 Ų51100.9 Ų100.927%0.26752%0.52SS..  trans-64.198.9170.2-65.4164.4000105.2L188 T190 T192 V198 F200L188-L194 HydrophobicContact CD2-CD1 3.71Å; L188-L194 HydrophobicContact CD2-CD2 4.35Å; T190-L194 HydrophobicContact CG2-CD1 3.97Å; T190-L194 HydrophobicContact CG2-CD2 4.2Å; T190-L194 HydrophobicContact CG2-CG 3.8Å; T192-L194 PolarHBondContact O-N 2.84Å; L194-V198 HydrophobicContact CB-CB 3.92Å; L194-V198 HydrophobicContact CB-CG1 4.24Å; L194-V198 HydrophobicContact CB-CG2 4.04Å; L194-V198 HydrophobicContact CD1-CG1 3.99Å; L194-V198 HydrophobicContact CD2-CG1 4.5Å; L194-V198 HydrophobicContact CD2-CG2 4.37Å; L194-V198 HydrophobicContact CG-CG1 4.46Å; L194-F200 HydrophobicContact CD1-CE2 3.68Å; L194-F200 HydrophobicContact CD1-CZ 4.01Å
195E48.9Very low48.4Very low66 Ų6697.5 Ų97.531%0.30853%0.527SS..  trans-56159.7179.7-62.2-169.8152.100110.1I193 G197I193-E195 PolarHBondContact O-N 3.43Å; E195-G197 PolarHBondContact O-N 2.96Å
196R47.5Very low47.4Very low168 Ų168103.7 Ų103.763%0.63455%0.55SS**THydrogen-bonded Turntrans-37.1134.8179.9-68.9-176171.4129.4-5.3111.8E109E109-R196 IonicContact OE1-CZ 2.7Å; E109-R196 IonicContact OE1-NE 2.68Å; E109-R196 IonicContact OE1-NH2 3Å; E109-R196 PolarHBondContact OE1-NH2 3.22Å; E109-R196 IonicContact OE2-NE 3.52Å; E109-R196 PolarHBondContact OE2-NE 3.27Å; E109-R196 IonicContact OE2-NH2 2.68Å
197G49Very low47Very low62 Ų6299.9 Ų99.964%0.63954%0.539SS*.THydrogen-bonded Turntrans105.7-1.6-179.400000115.5R181 E195R181-G197 PolarHBondContact NH2-O 3.37Å; R181-G197 VanDerWaalsContact NH2-O 3.13Å; E195-G197 PolarHBondContact O-N 2.96Å
198V53.1Low46.5Very low24 Ų2499.5 Ų99.515%0.14554%0.538CS..  trans-102.186.8169.6-172.30000109.8V177 L194 F200V177-V198 HydrophobicContact CG1-CG1 4.02Å; V177-V198 HydrophobicContact CG2-CG1 4.11Å; V177-V198 HydrophobicContact CG2-CG2 4.25Å; L194-V198 HydrophobicContact CB-CB 3.92Å; L194-V198 HydrophobicContact CB-CG1 4.24Å; L194-V198 HydrophobicContact CB-CG2 4.04Å; L194-V198 HydrophobicContact CD1-CG1 3.99Å; L194-V198 HydrophobicContact CD2-CG1 4.5Å; L194-V198 HydrophobicContact CD2-CG2 4.37Å; L194-V198 HydrophobicContact CG-CG1 4.46Å; V198-F200 HydrophobicContact CG1-CD1 4.49Å; V198-F200 HydrophobicContact CG1-CD2 4.23Å; V198-F200 HydrophobicContact CG1-CE1 3.7Å; V198-F200 HydrophobicContact CG1-CE2 3.42Å; V198-F200 VanDerWaalsContact CG1-CE2 3.42Å; V198-F200 HydrophobicContact CG1-CZ 3.09Å
199T48.3Very low45.9Very low87 Ų87108 Ų10853%0.53457%0.567SS.*  trans-94.1129.1168.138.90000109.4R181R181-T199 PolarHBondContact NE-O 3.24Å
200F57.9Low45.3Very low29 Ų29111.1 Ų111.113%0.12758%0.576CS.*BIsolated β-bridgetrans-114145.5167-52.7-68000108.4V177 M180 R181 L188 L194 V198 R202 I203V177-F200 HydrophobicContact CG1-CE1 4.21Å; M180-F200 HydrophobicContact CB-CD1 4.06Å; M180-F200 HydrophobicContact CB-CE1 3.62Å; M180-F200 HydrophobicContact CB-CZ 4.41Å; M180-F200 HydrophobicContact CG-CD1 3.53Å; M180-F200 HydrophobicContact CG-CE1 3.39Å; M180-F200 HydrophobicContact CG-CG 4.28Å; M180-F200 HydrophobicContact CG-CZ 4.02Å; R181-F200 HydrophobicContact CG-CD1 4.34Å; L188-F200 HydrophobicContact CD2-CE1 4.27Å; L188-F200 HydrophobicContact CD2-CE2 3.97Å; L188-F200 HydrophobicContact CD2-CZ 3.37Å; L194-F200 HydrophobicContact CD1-CE2 3.68Å; L194-F200 HydrophobicContact CD1-CZ 4.01Å; V198-F200 HydrophobicContact CG1-CD1 4.49Å; V198-F200 HydrophobicContact CG1-CD2 4.23Å; V198-F200 HydrophobicContact CG1-CE1 3.7Å; V198-F200 HydrophobicContact CG1-CE2 3.42Å; V198-F200 VanDerWaalsContact CG1-CE2 3.42Å; V198-F200 HydrophobicContact CG1-CZ 3.09Å; F200-R202 PolarHBondContact O-N 3.24Å; F200-R202 VanDerWaalsContact O-N 3.12Å; F200-I203 HydrophobicContact CB-CB 4.17Å; F200-I203 HydrophobicContact CB-CD1 4.33Å; F200-I203 HydrophobicContact CB-CG1 4.41Å; F200-I203 HydrophobicContact CD2-CB 4.37Å; F200-I203 HydrophobicContact CD2-CD1 4.45Å; F200-I203 PolarHBondContact O-N 2.94Å
201E43.7Very low45.2Very low180 Ų180111.3 Ų111.384%0.84159%0.59SS**THydrogen-bonded Turntrans-58120.3172.4-149.8179.1177.600108.8I203E201-I203 PolarHBondContact O-N 2.88Å
202R39.2Very low45.2Very low244 Ų244114.2 Ų114.292%0.92160%0.595SS**THydrogen-bonded Turntrans71.314.9179.6-53177.3172-174.1-3.9118.1F200F200-R202 PolarHBondContact O-N 3.24Å; F200-R202 VanDerWaalsContact O-N 3.12Å
203I40.8Very low45.1Very low99 Ų99120.2 Ų120.251%0.50861%0.614SS.*BIsolated β-bridgetrans-127.298.3172.3-51.6174.6000110.2M180 F200 E201M180-I203 HydrophobicContact CE-CD1 4.1Å; F200-I203 HydrophobicContact CB-CB 4.17Å; F200-I203 HydrophobicContact CB-CD1 4.33Å; F200-I203 HydrophobicContact CB-CG1 4.41Å; F200-I203 HydrophobicContact CD2-CB 4.37Å; F200-I203 HydrophobicContact CD2-CD1 4.45Å; F200-I203 PolarHBondContact O-N 2.94Å; E201-I203 PolarHBondContact O-N 2.88Å
204A33Very low44.8Very low103 Ų103117.3 Ų117.385%0.85161%0.607SS**  trans-147.571.6171.200000110.2R206A204-R206 PolarHBondContact O-N 3.37Å
205G37.6Very low44.3Very low77 Ų77123 Ų12379%0.79463%0.632SS**  trans-94.385.4-177.200000113.3
206R37.4Very low43.8Very low214 Ų214122.6 Ų122.681%0.80864%0.639SS**  trans-81.1117.2142.7-81.3-171.2-179.9-156.99105.9E109 A204 D208E109-R206 IonicContact OE1-NH2 3.05Å; A204-R206 PolarHBondContact O-N 3.37Å; R206-D208 PolarHBondContact O-N 2.72Å
207A42.5Very low43.6Very low41 Ų41122.4 Ų122.434%0.33965%0.646SS.*  trans-67.598.6167.800000108.2A216 V218A207-A216 HydrophobicContact CB-CB 3.57Å; A207-V218 HydrophobicContact CB-CG2 3.73Å
208D38.8Very low43.2Very low109 Ų109123.6 Ų123.658%0.58364%0.641SS**  trans-62.9139.9171.1-160.4-13.9000109.2R206 K210R206-D208 PolarHBondContact O-N 2.72Å; D208-K210 PolarHBondContact OD1-N 3.28Å; D208-K210 VanDerWaalsContact OD1-N 3.14Å
209R45.4Very low42.5Very low224 Ų224128.7 Ų128.785%0.84567%0.665SS**  trans-109.810.2-179.9-70.5-175.1178.9179.2-0.3112.3
210K37.7Very low41.9Very low172 Ų172133.1 Ų133.175%0.74868%0.678SS**SBendtrans-101.8143.7176.2-88.2-175.5171.8-179.10112.3D208D208-K210 PolarHBondContact OD1-N 3.28Å; D208-K210 VanDerWaalsContact OD1-N 3.14Å
211G54.2Low40.9Very low66 Ų66135.8 Ų135.868%0.6870%0.696SS**THydrogen-bonded Turntrans83.8-154.4176.700000113.8Y213G211-Y213 PolarHBondContact O-N 3.03Å
212E41.4Very low40.7Very low182 Ų182130 Ų13085%0.8567%0.673SS**THydrogen-bonded Turntrans-66.3-16-178.2-63.3-175151.400113S214E212-S214 VanDerWaalsContact C-N 3.27Å; E212-S214 PolarHBondContact O-N 3.43Å; E212-S214 VanDerWaalsContact O-N 3.1Å
213Y45.2Very low40.4Very low177 Ų177124.3 Ų124.369%0.69467%0.671SS**  trans-87.542.6-177.1-57.6-76.9000113.9G211 Q215G211-Y213 PolarHBondContact O-N 3.03Å; Y213-Q215 PolarHBondContact O-N 3.21Å; Y213-Q215 VanDerWaalsContact O-N 3.12Å
214S45.1Very low40.5Very low89 Ų89126.3 Ų126.362%0.62268%0.678SS**THydrogen-bonded Turntrans-68.4-6.5-179.764.90000115.1E212E212-S214 VanDerWaalsContact C-N 3.27Å; E212-S214 PolarHBondContact O-N 3.43Å; E212-S214 VanDerWaalsContact O-N 3.1Å
215Q44.7Very low41.5Very low171 Ų171128.8 Ų128.880%0.79967%0.665SS**THydrogen-bonded Turntrans-118.123.2-172.3-59.4-152.7-15.800114.9Y213 E217Y213-Q215 PolarHBondContact O-N 3.21Å; Y213-Q215 VanDerWaalsContact O-N 3.12Å; Q215-E217 PolarHBondContact O-N 3.1Å
216A37.8Very low42.5Very low56 Ų56127.6 Ų127.646%0.46364%0.643SS.*  trans-62.8111.2175.300000111.4A207A207-A216 HydrophobicContact CB-CB 3.57Å
217E42.3Very low44Very low165 Ų165123 Ų12377%0.77164%0.639SS**  trans-82.1131.5176.2-67.6-171.7157.900110.8Q215Q215-E217 PolarHBondContact O-N 3.1Å
218V41.1Very low44.7Very low87 Ų87124.2 Ų124.253%0.52765%0.649SS.*  trans-109.7107.7169.8-177.40000107.4A207 F220A207-V218 HydrophobicContact CB-CG2 3.73Å; V218-F220 HydrophobicContact CB-CE2 4.39Å; V218-F220 HydrophobicContact CG1-CD2 4.15Å; V218-F220 HydrophobicContact CG1-CE2 3.53Å; V218-F220 HydrophobicContact CG1-CZ 3.79Å
219I37.9Very low45.4Very low130 Ų130121.2 Ų121.267%0.66763%0.632SS**  trans-96.2117.3-179-56.2176.8000108.8V221I219-V221 HydrophobicContact CG2-CG2 3.82Å
220F35.9Very low46.4Very low180 Ų180115.5 Ų115.579%0.78961%0.614SS**  trans-97.3116.5170.9-67.2-86.9000109.3V218V218-F220 HydrophobicContact CB-CE2 4.39Å; V218-F220 HydrophobicContact CG1-CD2 4.15Å; V218-F220 HydrophobicContact CG1-CE2 3.53Å; V218-F220 HydrophobicContact CG1-CZ 3.79Å
221V37.1Very low47.9Very low85 Ų85110.3 Ų110.352%0.51560%0.599SS.*  trans-108.5127.6176.8-171.10000108.8I219 I269I219-V221 HydrophobicContact CG2-CG2 3.82Å; V221-I269 HydrophobicContact CG1-CD1 3.85Å
222T38.8Very low48.1Very low59 Ų59109.3 Ų109.336%0.36258%0.584SS.*  trans-146.8137.1-178.91780000109E224 I229T222-E224 WeakPolarHBondContact CG2-O 3.3Å; T222-E224 PolarHBondContact O-N 3.18Å; T222-E224 PolarHBondContact OG1-N 2.82Å; T222-E224 PolarHBondContact OG1-O 3.09Å; T222-I229 HydrophobicContact CG2-CD1 3.86Å
223S33.5Very low49.2Very low125 Ų125102.4 Ų102.487%0.87455%0.553SS**SBendtrans-68.6-23.5177.648.80000112.6
224E43.1Very low50.5Low141 Ų141102 Ų10266%0.65955%0.55SS*.SBendtrans-136.4147.4-178.1-63.1-177.3-179.200112.3T222 T226 I229T222-E224 WeakPolarHBondContact CG2-O 3.3Å; T222-E224 PolarHBondContact O-N 3.18Å; T222-E224 PolarHBondContact OG1-N 2.82Å; T222-E224 PolarHBondContact OG1-O 3.09Å; E224-T226 PolarHBondContact O-N 3.07Å; E224-I229 WeakPolarHBondContact O-CD1 3.37Å
225R54Low51.7Low154 Ų154103.3 Ų103.358%0.58155%0.546SS*.  trans-91.588.9171.5-71-177.8177.1-179.4-1110.4K230R225-K230 HydrophobicContact CB-CG 4.37Å; R225-K230 VanDerWaalsContact O-CE 3.31Å; R225-K230 WeakPolarHBondContact O-CE 3.37Å
226T59.7Low52.7Low53 Ų5399.4 Ų99.433%0.32553%0.53SS..  trans-60.6160.7174.368.40000112.2E224 A228 I229 K230E224-T226 PolarHBondContact O-N 3.07Å; T226-A228 PolarHBondContact O-N 2.87Å; T226-I229 HydrophobicContact CG2-CD1 4.14Å; T226-I229 PolarHBondContact O-N 3.45Å; T226-I229 VanDerWaalsContact O-N 3.14Å; T226-I229 WeakPolarHBondContact OG1-CD1 3.37Å; T226-I229 VanDerWaalsContact OG1-CG1 3.28Å; T226-I229 WeakPolarHBondContact OG1-CG1 3.29Å; T226-I229 PolarHBondContact OG1-N 2.97Å; T226-I229 VanDerWaalsContact OG1-N 3.15Å; T226-K230 WeakPolarHBondContact O-CG 3.47Å; T226-K230 PolarHBondContact O-N 3.33Å
227T67.8Low54.3Low118 Ų11899.3 Ų99.372%0.72452%0.521SS*.Hα-helixtrans-57-35.4173.649.40000112.1K230 S231T227-K230 PolarHBondContact O-N 2.84Å; T227-S231 WeakPolarHBondContact O-CB 3.23Å; T227-S231 PolarHBondContact O-N 3Å
228A58.2Low55.9Low66 Ų6698.6 Ų98.655%0.54552%0.516SS..Hα-helixtrans-64.7-46.2174.200000112.1T226 K230 S231 A232T226-A228 PolarHBondContact O-N 2.87Å; A228-K230 PolarHBondContact O-N 3.38Å; A228-S231 WeakPolarHBondContact O-CB 3.42Å; A228-S231 PolarHBondContact O-N 3.13Å; A228-S231 VanDerWaalsContact O-N 3.1Å; A228-A232 PolarHBondContact O-N 3.44Å
229I53.1Low57.1Low45 Ų4598.8 Ų98.823%0.23151%0.514CS..Hα-helixtrans-62-44.3175.3-68.8162.4000110.4T222 E224 T226 S231 A232 I233T222-I229 HydrophobicContact CG2-CD1 3.86Å; E224-I229 WeakPolarHBondContact O-CD1 3.37Å; T226-I229 HydrophobicContact CG2-CD1 4.14Å; T226-I229 PolarHBondContact O-N 3.45Å; T226-I229 VanDerWaalsContact O-N 3.14Å; T226-I229 WeakPolarHBondContact OG1-CD1 3.37Å; T226-I229 VanDerWaalsContact OG1-CG1 3.28Å; T226-I229 WeakPolarHBondContact OG1-CG1 3.29Å; T226-I229 PolarHBondContact OG1-N 2.97Å; T226-I229 VanDerWaalsContact OG1-N 3.15Å; I229-S231 PolarHBondContact O-N 2.91Å; I229-A232 PolarHBondContact O-N 2.74Å; I229-I233 HydrophobicContact CG2-CD1 3.76Å; I229-I233 HydrophobicContact CG2-CG1 4.41Å; I229-I233 WeakPolarHBondContact O-CB 3.47Å; I229-I233 VanDerWaalsContact O-CG1 3.26Å; I229-I233 WeakPolarHBondContact O-CG1 3.39Å; I229-I233 PolarHBondContact O-N 3.29Å
230K66.2Low58.4Low105 Ų10594 Ų9446%0.45749%0.49SS..Hα-helixtrans-61.5-32.8174.6-69.4176.1-177.6173.80112.3R225 T226 T227 A228 R234R225-K230 HydrophobicContact CB-CG 4.37Å; R225-K230 VanDerWaalsContact O-CE 3.31Å; R225-K230 WeakPolarHBondContact O-CE 3.37Å; T226-K230 WeakPolarHBondContact O-CG 3.47Å; T226-K230 PolarHBondContact O-N 3.33Å; T227-K230 PolarHBondContact O-N 2.84Å; A228-K230 PolarHBondContact O-N 3.38Å; K230-R234 WeakPolarHBondContact O-CB 3.29Å; K230-R234 WeakPolarHBondContact O-CG 3.22Å; K230-R234 PolarHBondContact O-N 3.01Å; K230-R234 PolarHBondContact O-NE 3.18Å; K230-R234 VanDerWaalsContact O-NE 3.14Å
231S68.4Low60.1Low62 Ų6291 Ų9143%0.43448%0.478SS..Hα-helixtrans-72.5-45.3175.2-168.10000111.5T227 A228 I229 I233 R234 E235T227-S231 WeakPolarHBondContact O-CB 3.23Å; T227-S231 PolarHBondContact O-N 3Å; A228-S231 WeakPolarHBondContact O-CB 3.42Å; A228-S231 PolarHBondContact O-N 3.13Å; A228-S231 VanDerWaalsContact O-N 3.1Å; I229-S231 PolarHBondContact O-N 2.91Å; S231-I233 PolarHBondContact O-N 3.13Å; S231-R234 WeakPolarHBondContact O-CB 3.48Å; S231-R234 PolarHBondContact O-N 3.12Å; S231-R234 VanDerWaalsContact O-N 3.17Å; S231-E235 PolarHBondContact O-N 2.76Å
232A59Low61.8Low45 Ų4591 Ų9137%0.37247%0.473SS..Hα-helixtrans-61.7-44.1177.300000111.6A228 I229 R234 E235 I236A228-A232 PolarHBondContact O-N 3.44Å; I229-A232 PolarHBondContact O-N 2.74Å; A232-R234 VanDerWaalsContact C-N 3.32Å; A232-R234 PolarHBondContact O-N 2.98Å; A232-E235 PolarHBondContact O-N 3.25Å; A232-I236 WeakPolarHBondContact O-CB 3.47Å; A232-I236 VanDerWaalsContact O-CG1 3.26Å; A232-I236 WeakPolarHBondContact O-CG1 3.42Å; A232-I236 PolarHBondContact O-N 3.08Å
233I63.5Low62.9Low38 Ų3889 Ų8920%0.19546%0.462CS..Hα-helixtrans-59.9-42.6174.2-68166.4000110.9I229 S231 N237 F261I229-I233 HydrophobicContact CG2-CD1 3.76Å; I229-I233 HydrophobicContact CG2-CG1 4.41Å; I229-I233 WeakPolarHBondContact O-CB 3.47Å; I229-I233 VanDerWaalsContact O-CG1 3.26Å; I229-I233 WeakPolarHBondContact O-CG1 3.39Å; I229-I233 PolarHBondContact O-N 3.29Å; S231-I233 PolarHBondContact O-N 3.13Å; I233-N237 WeakPolarHBondContact O-CB 3.33Å; I233-N237 VanDerWaalsContact O-CG 3.23Å; I233-N237 PolarHBondContact O-N 3.13Å; I233-N237 PolarHBondContact O-ND2 2.99Å; I233-N237 VanDerWaalsContact O-ND2 3.14Å; I233-F261 HydrophobicContact CD1-CE1 4.1Å; I233-F261 HydrophobicContact CG1-CE1 4.05Å; I233-F261 HydrophobicContact CG2-CD1 4.24Å; I233-F261 HydrophobicContact CG2-CE1 3.82Å
234R72.5Confident64.1Low167 Ų16786.5 Ų86.563%0.6344%0.438SS*.Hα-helixtrans-61.9-43176-84.8-178.3-97.5171.8-12.1112.1K230 S231 A232 N237 K238K230-R234 WeakPolarHBondContact O-CB 3.29Å; K230-R234 WeakPolarHBondContact O-CG 3.22Å; K230-R234 PolarHBondContact O-N 3.01Å; K230-R234 PolarHBondContact O-NE 3.18Å; K230-R234 VanDerWaalsContact O-NE 3.14Å; S231-R234 WeakPolarHBondContact O-CB 3.48Å; S231-R234 PolarHBondContact O-N 3.12Å; S231-R234 VanDerWaalsContact O-N 3.17Å; A232-R234 VanDerWaalsContact C-N 3.32Å; A232-R234 PolarHBondContact O-N 2.98Å; R234-N237 PolarHBondContact O-N 3.16Å; R234-K238 WeakPolarHBondContact O-CB 3.45Å; R234-K238 PolarHBondContact O-N 3.16Å
235E70.5Confident65.5Low118 Ų11887.9 Ų87.955%0.55144%0.442SS*.Hα-helixtrans-66.8-45.2178.9-170.2174.6176.100112S231 A232 N237 K238 N239S231-E235 PolarHBondContact O-N 2.76Å; A232-E235 PolarHBondContact O-N 3.25Å; E235-N237 VanDerWaalsContact C-N 3.32Å; E235-N237 PolarHBondContact O-N 3.14Å; E235-K238 WeakPolarHBondContact O-CB 3.43Å; E235-K238 PolarHBondContact O-N 3.31Å; E235-K238 VanDerWaalsContact O-N 3.17Å; E235-N239 WeakPolarHBondContact O-CB 3.15Å; E235-N239 VanDerWaalsContact O-CG 3.31Å; E235-N239 PolarHBondContact O-N 3.27Å
236I65.7Low66.3Low89 Ų8986 Ų8646%0.45644%0.44SS..Hα-helixtrans-57.6-47173.7-69.7165.1000110.3A232 K238 N239 N240A232-I236 WeakPolarHBondContact O-CB 3.47Å; A232-I236 VanDerWaalsContact O-CG1 3.26Å; A232-I236 WeakPolarHBondContact O-CG1 3.42Å; A232-I236 PolarHBondContact O-N 3.08Å; I236-K238 VanDerWaalsContact C-N 3.33Å; I236-K238 PolarHBondContact O-N 2.98Å; I236-N239 PolarHBondContact O-N 3.31Å; I236-N240 WeakPolarHBondContact O-CB 3.28Å; I236-N240 PolarHBondContact O-N 2.98Å; I236-N240 PolarHBondContact O-ND2 3.2Å
237N71.5Confident66.3Low53 Ų5386.4 Ų86.428%0.28346%0.455SS..Hα-helixtrans-63.5-38.5177.9-75.2-30.1000112.4I233 R234 E235 Q241I233-N237 WeakPolarHBondContact O-CB 3.33Å; I233-N237 VanDerWaalsContact O-CG 3.23Å; I233-N237 PolarHBondContact O-N 3.13Å; I233-N237 PolarHBondContact O-ND2 2.99Å; I233-N237 VanDerWaalsContact O-ND2 3.14Å; R234-N237 PolarHBondContact O-N 3.16Å; E235-N237 VanDerWaalsContact C-N 3.32Å; E235-N237 PolarHBondContact O-N 3.14Å; N237-Q241 WeakPolarHBondContact O-CB 3.29Å; N237-Q241 VanDerWaalsContact O-CG 3.28Å; N237-Q241 WeakPolarHBondContact O-CG 3.32Å; N237-Q241 PolarHBondContact O-N 3.37Å
238K75.9Confident65.5Low151 Ų15186.8 Ų86.866%0.65745%0.452SS*.Hα-helixtrans-64.6-45.1175.7-170.4-176.5178.5-174.70111.5R234 E235 I236 Q241 Q242R234-K238 WeakPolarHBondContact O-CB 3.45Å; R234-K238 PolarHBondContact O-N 3.16Å; E235-K238 WeakPolarHBondContact O-CB 3.43Å; E235-K238 PolarHBondContact O-N 3.31Å; E235-K238 VanDerWaalsContact O-N 3.17Å; I236-K238 VanDerWaalsContact C-N 3.33Å; I236-K238 PolarHBondContact O-N 2.98Å; K238-Q241 PolarHBondContact O-N 2.93Å; K238-Q242 PolarHBondContact O-N 3.07Å
239N67.4Low65.1Low90 Ų9085.3 Ų85.348%0.48144%0.435SS..Hα-helixtrans-66.2-40.3178.1-68.9-13.6000111.5E235 I236 Q242 A243E235-N239 WeakPolarHBondContact O-CB 3.15Å; E235-N239 VanDerWaalsContact O-CG 3.31Å; E235-N239 PolarHBondContact O-N 3.27Å; I236-N239 PolarHBondContact O-N 3.31Å; N239-Q242 PolarHBondContact O-N 3.35Å; N239-A243 VanDerWaalsContact O-CB 3.32Å; N239-A243 WeakPolarHBondContact O-CB 3.4Å; N239-A243 PolarHBondContact O-N 3.35Å
240N65.4Low65Low31 Ų3189.3 Ų89.317%0.16646%0.456CS..Hα-helixtrans-65.5-37.8175.1-72.2-15.7000112.3I236 L244 M254I236-N240 WeakPolarHBondContact O-CB 3.28Å; I236-N240 PolarHBondContact O-N 2.98Å; I236-N240 PolarHBondContact O-ND2 3.2Å; N240-L244 WeakPolarHBondContact O-CB 3.5Å; N240-L244 PolarHBondContact O-N 2.75Å; N240-M254 HydrophobicContact CB-CE 4.01Å; N240-M254 HydrophobicContact CB-SD 3.66Å
241Q71.1Confident64.2Low115 Ų11587.7 Ų87.754%0.53746%0.463SS..Hα-helixtrans-65.3-39.6172.6-77.5178.1400112N237 K238 L244 K245 M254N237-Q241 WeakPolarHBondContact O-CB 3.29Å; N237-Q241 VanDerWaalsContact O-CG 3.28Å; N237-Q241 WeakPolarHBondContact O-CG 3.32Å; N237-Q241 PolarHBondContact O-N 3.37Å; K238-Q241 PolarHBondContact O-N 2.93Å; Q241-L244 PolarHBondContact O-N 3.21Å; Q241-K245 WeakPolarHBondContact O-CG 3.49Å; Q241-K245 PolarHBondContact O-N 3.07Å; Q241-M254 HydrophobicContact CG-CE 4.46Å
242Q72.6Confident62.8Low87 Ų8791.1 Ų91.141%0.40748%0.475SS..Hα-helixtrans-65.7-46.7176.2-170.763.618.900111K238 N239 L244 K245 E246K238-Q242 PolarHBondContact O-N 3.07Å; N239-Q242 PolarHBondContact O-N 3.35Å; Q242-L244 VanDerWaalsContact C-N 3.26Å; Q242-L244 PolarHBondContact O-N 3.02Å; Q242-K245 WeakPolarHBondContact O-CA 3.36Å; Q242-K245 WeakPolarHBondContact O-CB 3.43Å; Q242-K245 PolarHBondContact O-N 3.42Å; Q242-E246 WeakPolarHBondContact CG-OE1 3.15Å; Q242-E246 PolarHBondContact NE2-OE1 2.75Å; Q242-E246 WeakPolarHBondContact O-CG 3.37Å; Q242-E246 PolarHBondContact O-N 2.82Å
243A61.5Low62.1Low16 Ų1693 Ų9313%0.13248%0.478CS..Hα-helixtrans-63.8-30.4176.500000112.7N239 G247 L248 I249N239-A243 VanDerWaalsContact O-CB 3.32Å; N239-A243 WeakPolarHBondContact O-CB 3.4Å; N239-A243 PolarHBondContact O-N 3.35Å; A243-G247 PolarHBondContact O-N 3.46Å; A243-L248 HydrophobicContact CB-CB 4.12Å; A243-L248 PolarHBondContact O-N 3.42Å; A243-I249 HydrophobicContact CB-CD1 3.41Å; A243-I249 VanDerWaalsContact CB-CD1 3.41Å; A243-I249 HydrophobicContact CB-CG1 3.73Å; A243-I249 PolarHBondContact O-N 3.15Å
244L58.1Low60.9Low73 Ų7392.8 Ų92.838%0.38248%0.477SS..Hα-helixtrans-68-41.2169.7-173.674.1000112.1N240 Q241 Q242 E246 G247 M254N240-L244 WeakPolarHBondContact O-CB 3.5Å; N240-L244 PolarHBondContact O-N 2.75Å; Q241-L244 PolarHBondContact O-N 3.21Å; Q242-L244 VanDerWaalsContact C-N 3.26Å; Q242-L244 PolarHBondContact O-N 3.02Å; L244-E246 VanDerWaalsContact C-N 3.31Å; L244-G247 PolarHBondContact O-N 3.17Å; L244-M254 HydrophobicContact CD1-CG 4.19Å
245K73.5Confident59.2Low169 Ų16992.1 Ų92.174%0.73548%0.479SS*.Hα-helixtrans-65.4-34.9175.5-74.5177.2-179.3-179.90112.3Q241 Q242 G247Q241-K245 WeakPolarHBondContact O-CG 3.49Å; Q241-K245 PolarHBondContact O-N 3.07Å; Q242-K245 WeakPolarHBondContact O-CA 3.36Å; Q242-K245 WeakPolarHBondContact O-CB 3.43Å; Q242-K245 PolarHBondContact O-N 3.42Å; K245-G247 VanDerWaalsContact C-N 3.31Å
246E70.5Confident57.6Low114 Ų11491.3 Ų91.353%0.53348%0.477SS..THydrogen-bonded Turntrans-85.5-0.4-179.6-68.7175.3-168.900113.3Q242 L244 L248Q242-E246 WeakPolarHBondContact CG-OE1 3.15Å; Q242-E246 PolarHBondContact NE2-OE1 2.75Å; Q242-E246 WeakPolarHBondContact O-CG 3.37Å; Q242-E246 PolarHBondContact O-N 2.82Å; L244-E246 VanDerWaalsContact C-N 3.31Å; E246-L248 HydrophobicContact CB-CD1 3.91Å; E246-L248 HydrophobicContact CB-CG 3.95Å; E246-L248 PolarHBondContact O-N 3.06Å; E246-L248 VanDerWaalsContact OE2-CD1 3.28Å; E246-L248 WeakPolarHBondContact OE2-CD1 3.48Å
247G59.9Low56.3Low63 Ų6389.5 Ų89.565%0.64947%0.468SS*.THydrogen-bonded Turntrans70.912.8-179.900000114.5A243 L244 K245 I249A243-G247 PolarHBondContact O-N 3.46Å; L244-G247 PolarHBondContact O-N 3.17Å; K245-G247 VanDerWaalsContact C-N 3.31Å; G247-I249 VanDerWaalsContact C-N 3.29Å
248L51.8Low54.7Low126 Ų12689.7 Ų89.766%0.6648%0.477SS*.SBendtrans-77.5-13.9178.8-61.8171000112.6A243 E246A243-L248 HydrophobicContact CB-CB 4.12Å; A243-L248 PolarHBondContact O-N 3.42Å; E246-L248 HydrophobicContact CB-CD1 3.91Å; E246-L248 HydrophobicContact CB-CG 3.95Å; E246-L248 PolarHBondContact O-N 3.06Å; E246-L248 VanDerWaalsContact OE2-CD1 3.28Å; E246-L248 WeakPolarHBondContact OE2-CD1 3.48Å
249I48.6Very low52.9Low35 Ų3587.4 Ų87.418%0.17947%0.471CS..SBendtrans-132.5128.8179.3-58.8177.2000110A243 G247 I253 M254A243-I249 HydrophobicContact CB-CD1 3.41Å; A243-I249 VanDerWaalsContact CB-CD1 3.41Å; A243-I249 HydrophobicContact CB-CG1 3.73Å; A243-I249 PolarHBondContact O-N 3.15Å; G247-I249 VanDerWaalsContact C-N 3.29Å; I249-I253 HydrophobicContact CG2-CB 3.72Å; I249-I253 HydrophobicContact CG2-CD1 4.26Å; I249-I253 HydrophobicContact CG2-CG2 3.78Å; I249-M254 HydrophobicContact CG2-CG 4.26Å
250N51.8Low51.3Low129 Ų12991.6 Ų91.669%0.6948%0.481SS*.  trans-67.6138173.1-93-34.6000111.3L252 I253N250-L252 PolarHBondContact O-N 3.16Å; N250-I253 HydrophobicContact CB-CD1 4.44Å; N250-I253 WeakPolarHBondContact O-CB 3.17Å; N250-I253 PolarHBondContact O-N 3.43Å
251A49Very low49.9Very low71 Ų7194.9 Ų94.959%0.58749%0.494SS*.Hα-helixtrans-56.2-15.3-179.300000115.2K255A251-K255 PolarHBondContact O-N 3.1Å
252L40Very low48.2Very low134 Ų13493.4 Ų93.470%0.70250%0.502SS*.Hα-helixtrans-70.2-37.8173.3-142.788.3000112.3N250 K255 L256N250-L252 PolarHBondContact O-N 3.16Å; L252-K255 PolarHBondContact O-N 3.03Å; L252-L256 PolarHBondContact O-N 3.44Å
253I43Very low46.3Very low85 Ų8596.6 Ų96.644%0.43651%0.514SS..Hα-helixtrans-70.9-39.5-177.6-65.5169.6000110.2I249 N250 L256 I257I249-I253 HydrophobicContact CG2-CB 3.72Å; I249-I253 HydrophobicContact CG2-CD1 4.26Å; I249-I253 HydrophobicContact CG2-CG2 3.78Å; N250-I253 HydrophobicContact CB-CD1 4.44Å; N250-I253 WeakPolarHBondContact O-CB 3.17Å; N250-I253 PolarHBondContact O-N 3.43Å; I253-L256 PolarHBondContact O-N 2.8Å; I253-I257 HydrophobicContact CG2-CD1 3.72Å; I253-I257 VanDerWaalsContact O-CG1 3.25Å; I253-I257 WeakPolarHBondContact O-CG1 3.45Å; I253-I257 PolarHBondContact O-N 3.47Å
254M38.8Very low44.7Very low33 Ų3398.9 Ų98.916%0.16354%0.539CS..Hα-helixtrans-70.9-29.8175.9-81.4-67-83.100113.8N240 Q241 L244 I249 A258N240-M254 HydrophobicContact CB-CE 4.01Å; N240-M254 HydrophobicContact CB-SD 3.66Å; Q241-M254 HydrophobicContact CG-CE 4.46Å; L244-M254 HydrophobicContact CD1-CG 4.19Å; I249-M254 HydrophobicContact CG2-CG 4.26Å; M254-A258 WeakPolarHBondContact O-CB 3.25Å; M254-A258 PolarHBondContact O-N 3.03Å
255K36.9Very low43.3Very low153 Ų153102 Ų10267%0.66556%0.556SS**Hα-helixtrans-69.4-37171.9-91.5-178.3173.5-178.40112A251 L252 I259A251-K255 PolarHBondContact O-N 3.1Å; L252-K255 PolarHBondContact O-N 3.03Å; K255-I259 VanDerWaalsContact O-CB 3.27Å; K255-I259 WeakPolarHBondContact O-CB 3.08Å; K255-I259 VanDerWaalsContact O-CD1 3.25Å; K255-I259 WeakPolarHBondContact O-CD1 3.25Å; K255-I259 WeakPolarHBondContact O-CG1 3.27Å; K255-I259 PolarHBondContact O-N 2.87Å
256L35.8Very low41Very low100 Ų100101.1 Ų101.152%0.52456%0.559SS.*Hα-helixtrans-65-46.4172.4-87.2150.4000111.5L252 I253 I259 Y260L252-L256 PolarHBondContact O-N 3.44Å; I253-L256 PolarHBondContact O-N 2.8Å; L256-I259 PolarHBondContact O-N 2.98Å; L256-Y260 WeakPolarHBondContact O-CB 3.46Å; L256-Y260 WeakPolarHBondContact O-CD2 3.29Å; L256-Y260 PolarHBondContact O-N 3.33Å; L256-Y260 VanDerWaalsContact O-N 3.1Å
257I40.1Very low38.9Very low51 Ų51104.9 Ų104.926%0.26257%0.574SS.*Hα-helixtrans-67.1-39179.2-65.4166.7000112I253 Y260 F261I253-I257 HydrophobicContact CG2-CD1 3.72Å; I253-I257 VanDerWaalsContact O-CG1 3.25Å; I253-I257 WeakPolarHBondContact O-CG1 3.45Å; I253-I257 PolarHBondContact O-N 3.47Å; I257-Y260 PolarHBondContact O-N 3.18Å; I257-F261 HydrophobicContact CG2-CD2 4.19Å; I257-F261 PolarHBondContact O-N 2.89Å
258A37.3Very low37.3Very low57 Ų57109 Ų10947%0.47158%0.581SS.*Hα-helixtrans-73.4-33.5178.700000113.3M254 Y260 A262M254-A258 WeakPolarHBondContact O-CB 3.25Å; M254-A258 PolarHBondContact O-N 3.03Å; A258-Y260 VanDerWaalsContact C-N 3.32Å; A258-A262 WeakPolarHBondContact O-CB 3.46Å; A258-A262 PolarHBondContact O-N 3.42Å; A258-A262 VanDerWaalsContact O-N 3.16Å
259I37.9Very low35.9Very low103 Ų103108.1 Ų108.153%0.52858%0.576SS.*Hα-helixtrans-69.6-32.8173.8-70.8167000110.7K255 L256K255-I259 VanDerWaalsContact O-CB 3.27Å; K255-I259 WeakPolarHBondContact O-CB 3.08Å; K255-I259 VanDerWaalsContact O-CD1 3.25Å; K255-I259 WeakPolarHBondContact O-CD1 3.25Å; K255-I259 WeakPolarHBondContact O-CG1 3.27Å; K255-I259 PolarHBondContact O-N 2.87Å; L256-I259 PolarHBondContact O-N 2.98Å
260Y33.7Very low34.9Very low179 Ų179113.6 Ų113.670%0.70260%0.604SS**Hα-helixtrans-78.2-31.2177.3-97.1-93.2000114.1L256 I257 A258L256-Y260 WeakPolarHBondContact O-CB 3.46Å; L256-Y260 WeakPolarHBondContact O-CD2 3.29Å; L256-Y260 PolarHBondContact O-N 3.33Å; L256-Y260 VanDerWaalsContact O-N 3.1Å; I257-Y260 PolarHBondContact O-N 3.18Å; A258-Y260 VanDerWaalsContact C-N 3.32Å
261F35.7Very low33.6Very low99 Ų99116 Ų11643%0.43461%0.611SS.*Hα-helixtrans-86.4-20.3176.9-94.7-88.3000114.8I233 I257I233-F261 HydrophobicContact CD1-CE1 4.1Å; I233-F261 HydrophobicContact CG1-CE1 4.05Å; I233-F261 HydrophobicContact CG2-CD1 4.24Å; I233-F261 HydrophobicContact CG2-CE1 3.82Å; I257-F261 HydrophobicContact CG2-CD2 4.19Å; I257-F261 PolarHBondContact O-N 2.89Å
262A35.8Very low32.4Very low84 Ų84120.5 Ų120.569%0.69463%0.625SS**Hα-helixtrans-88.1-12.6-177.300000114.8A258A258-A262 WeakPolarHBondContact O-CB 3.46Å; A258-A262 PolarHBondContact O-N 3.42Å; A258-A262 VanDerWaalsContact O-N 3.16Å
263K32.3Very low31.7Very low155 Ų155122 Ų12267%0.67462%0.621SS**  trans-101.258.1179.1-73.5-171.3170.5-172.40112.6L265K263-L265 PolarHBondContact O-N 2.87Å
264G28.7Very low30.9Very low64 Ų64127.9 Ų127.966%0.6664%0.637SS**  trans-52.190.8176.300000113.7
265L28.6Very low30.2Very low138 Ų138138.2 Ų138.272%0.72368%0.675SS**  trans-123.6117177.3-85.9155.4000108K263K263-L265 PolarHBondContact O-N 2.87Å
266D24.5Very low29.8Very low151 Ų151134.4 Ų134.481%0.80768%0.679SS**  trans-55.9138.1178.8-59-54.3000111.5
267F26.5Very low29.5Very low192 Ų192139.3 Ų139.384%0.84270%0.696SS**  trans-130.3107.8164.4-86.2-81.2000109.7
268D26.2Very low29.1Very low150 Ų150142.7 Ų142.780%0.80272%0.724SS**  trans-58.4130.4166.5-75.4-44.6000110.9
269I23.9Very low28.6Very low108 Ų108143.5 Ų143.555%0.55474%0.738SS**  trans-88107.8166.7-62.5171.2000106.3L189 V221L189-I269 HydrophobicContact CD1-CD1 4.34Å; V221-I269 HydrophobicContact CG1-CD1 3.85Å
270I25.6Very low28.2Very low150 Ų150144.4 Ų144.477%0.76975%0.751SS**  trans-125.389.5163.9-60.7-179.4000109.1
271E25.4Very low27.8Very low178 Ų178141 Ų14183%0.83275%0.753SS**  42.8110.3127.5-139.2169.2-157.100120
272L24.2Very low27.4Very low167 Ų167143.5 Ų143.587%0.87477%0.77SS**  trans-109.8101.8160.5-84.5163.5000109.2
273R24.8Very low26.9Very low165 Ų165144.2 Ų144.262%0.62377%0.77SS**  -175.6126.6129.4-104.7161.5-174.8-156.86.1116.1Q186Q186-R273 VanDerWaalsContact OE1-CZ 3.31Å
274R25.9Very low26.6Very low208 Ų208141.8 Ų141.879%0.78577%0.773SS**  trans57.9106.8134.1-74.9-179.4176.1-180-1.1120
275R24.3Very low26.6Very low251 Ų251146.1 Ų146.195%0.94779%0.786SS**  56.5109.2127.8-70.5-175.2172.8-176.2-2.4117.4
276G29.2Very low26.6Very low73 Ų73142.8 Ų142.875%0.75379%0.785SS**  trans173.47815900000115.6
277K29.8Very low26.7Very low203 Ų203146 Ų14688%0.88379%0.792SS**  trans51.3135.1148.1-65.8-179.9175.5179.60121.4
278S31.1Very low26.9Very low121 Ų121143.7 Ų143.785%0.84679%0.794SS**  trans77.5102.5148.247.70000121.2
279G27.3Very low27.1Very low75 Ų75145.7 Ų145.777%0.77380%0.795SS**  105.3141.6119.900000117.6
280P28.8Very low27.4Very low122 Ų122143.7 Ų143.779%0.79280%0.802SS**  trans-126.4-179.5-138.735.4-16.2000116.8
281S26.3Very low27.9Very low108 Ų108141.3 Ų141.376%0.75580%0.804SS**  trans89.7133.1160.880.80000115.7
282L27.2Very low28.6Very low151 Ų151138.6 Ų138.679%0.79179%0.794SS**  cis-148.7150.436.4-118.194.6000112.9
283S25Very low29.8Very low98 Ų98139.5 Ų139.569%0.68579%0.786SS**  trans-22152.6155.546.90000117.8
284S25.6Very low31.5Very low104 Ų104137.2 Ų137.273%0.72778%0.784SS**  cis-179.8124.415.639.80000109.1
285V29.7Very low33.7Very low155 Ų155127.9 Ų127.994%0.93975%0.749SS**  trans-152.7123.8155.6-177.40000110.4
286G28.1Very low36.5Very low69 Ų69121.2 Ų121.271%0.71173%0.727SS**  trans13.4121.816300000122.9
287K26.7Very low39.3Very low218 Ų218119.3 Ų119.395%0.94870%0.697SS**PPolyproline II helixtrans-78.8120.4160.4-72.4177.6176.1177.20111.1
288T29.7Very low42.2Very low143 Ų143112.1 Ų112.188%0.87767%0.668SS**PPolyproline II helixtrans-99.7122166.2-16.70000109.3
289K30.5Very low45Very low192 Ų192107 Ų10784%0.83563%0.632SS**PPolyproline II helixtrans-62.4130.6-177.1-72.3174.6171.9177.50111.7
290G29.9Very low48Very low67 Ų67110.7 Ų110.769%0.69162%0.622SS**PPolyproline II helixtrans-58.114616900000112I292G290-I292 PolarHBondContact O-N 3.43Å; G290-I292 VanDerWaalsContact O-N 3.15Å
291A36.1Very low50.8Low100 Ų100106.4 Ų106.483%0.82660%0.601SS**  trans-53.9112.7-170.900000113.2R293A291-R293 PolarHBondContact O-N 2.88Å
292I39.7Very low53.7Low120 Ų120105.6 Ų105.662%0.61559%0.585SS**  trans-67.5110.4173.1-60.8164000107.8G290 M294G290-I292 PolarHBondContact O-N 3.43Å; G290-I292 VanDerWaalsContact O-N 3.15Å; I292-M294 HydrophobicContact CG2-CG 3.85Å; I292-M294 PolarHBondContact O-N 3.07Å
293R50.8Low56.3Low187 Ų187105.5 Ų105.571%0.70659%0.585SS**  trans-77.8107165.5-71.7-176.1177.91770.5107.6A291A291-R293 PolarHBondContact O-N 2.88Å
294M59.1Low59.3Low117 Ų117103 Ų10358%0.57656%0.563SS**PPolyproline II helixtrans-86.6146.7-177-70.4170.953.800111.6I292I292-M294 HydrophobicContact CG2-CG 3.85Å; I292-M294 PolarHBondContact O-N 3.07Å
295F73.5Confident62.2Low12 Ų12106.2 Ų106.25%0.05357%0.567CS.*PPolyproline II helixtrans-58148.1161.4-74.4-55.9000110.5Y297 E322 F325 A331 I351F295-Y297 HydrophobicContact CB-CE1 4.06Å; F295-Y297 HydrophobicContact CB-CE2 4.09Å; F295-Y297 WeakPolarHBondContact O-CD2 3.31Å; F295-Y297 VanDerWaalsContact O-CE2 3.25Å; F295-Y297 WeakPolarHBondContact O-CE2 3.37Å; F295-E322 HydrophobicContact CD2-CB 4.46Å; F295-E322 HydrophobicContact CD2-CG 3.2Å; F295-E322 HydrophobicContact CE2-CB 4.28Å; F295-E322 HydrophobicContact CE2-CG 3.44Å; F295-E322 VanDerWaalsContact CE2-CG 3.44Å; F295-E322 HydrophobicContact CG-CG 4.16Å; F295-E322 PolarHBondContact N-OE1 3.39Å; F295-F325 HydrophobicContact CE2-CD2 4.01Å; F295-F325 HydrophobicContact CE2-CE2 4.19Å; F295-F325 AromaticContact CZ-CD2 3.5Å; F295-F325 HydrophobicContact CZ-CD2 3.5Å; F295-F325 VanDerWaalsContact CZ-CD2 3.5Å; F295-F325 AromaticContact CZ-CE2 3.65Å; F295-F325 HydrophobicContact CZ-CE2 3.65Å; F295-F325 HydrophobicContact CZ-CG 4.29Å; F295-A331 HydrophobicContact CD1-CB 3.7Å; F295-A331 HydrophobicContact CE1-CB 3.65Å; F295-I351 HydrophobicContact CE1-CG2 4.22Å
296K82.8Confident65Low110 Ų110100.8 Ų100.848%0.47853%0.534SS..EExtended strand (participates in β ladder)trans-92120.7166.9-71.4174.3-168.9154.10108.5D330 A331 T332 A333K296-D330 IonicContact NZ-OD2 3.49Å; K296-D330 PolarHBondContact NZ-OD2 3.03Å; K296-A331 PolarHBondContact N-O 2.87Å; K296-T332 HydrophobicContact CB-CG2 3.58Å; K296-T332 CarbonylContact O-C 3.54Å; K296-T332 VanDerWaalsContact O-CA 3.23Å; K296-T332 WeakPolarHBondContact O-CA 3.36Å; K296-A333 PolarHBondContact O-N 3.37Å
297Y87Confident68Low34 Ų34100.9 Ų100.913%0.13352%0.521CS..EExtended strand (participates in β ladder)trans-94125.1-177.9-56.3-85.5000110.9F295 E315 V318 G319 E322 A333F295-Y297 HydrophobicContact CB-CE1 4.06Å; F295-Y297 HydrophobicContact CB-CE2 4.09Å; F295-Y297 WeakPolarHBondContact O-CD2 3.31Å; F295-Y297 VanDerWaalsContact O-CE2 3.25Å; F295-Y297 WeakPolarHBondContact O-CE2 3.37Å; Y297-E315 HydrophobicContact CD1-CG 4.34Å; Y297-E315 HydrophobicContact CD2-CB 4.4Å; Y297-E315 HydrophobicContact CD2-CG 3.7Å; Y297-E315 HydrophobicContact CE2-CB 4.45Å; Y297-E315 HydrophobicContact CE2-CG 4.23Å; Y297-E315 HydrophobicContact CG-CG 3.78Å; Y297-V318 HydrophobicContact CD1-CB 4.38Å; Y297-V318 HydrophobicContact CD1-CG1 4.28Å; Y297-V318 HydrophobicContact CE1-CB 3.81Å; Y297-V318 HydrophobicContact CE1-CG1 3.71Å; Y297-G319 WeakPolarHBondContact OH-CA 3.49Å; Y297-G319 PolarHBondContact OH-N 2.79Å; Y297-E322 PolarHBondContact OH-OE1 3.24Å; Y297-A333 HydrophobicContact CD1-CB 4.14Å
298N90.6Very high71Confident52 Ų5296 Ų9628%0.27850%0.502SS..EExtended strand (participates in β ladder)trans-114.693.6172.4-173-16000109A333 Y334 V335N298-A333 PolarHBondContact N-O 3.34Å; N298-Y334 HydrophobicContact CB-CD1 3.98Å; N298-Y334 HydrophobicContact CB-CE1 4.37Å; N298-V335 PolarHBondContact O-N 3.08Å
299V91Very high73.8Confident12 Ų1291.9 Ų91.97%0.07348%0.482CS..EExtended strand (participates in β ladder)trans-94.4122.9-179.7-169.90000109.8V306 V314 V335 L337V299-V306 HydrophobicContact CB-CG1 4.4Å; V299-V306 HydrophobicContact CG1-CG1 3.72Å; V299-V306 HydrophobicContact CG1-CG2 4.32Å; V299-V314 HydrophobicContact CG2-CB 4.36Å; V299-V314 HydrophobicContact CG2-CG1 3.92Å; V299-V335 WeakPolarHBondContact CA-O 3.28Å; V299-V335 HydrophobicContact CG2-CB 4.4Å; V299-L337 HydrophobicContact CG1-CD1 3.81Å; V299-L337 HydrophobicContact CG1-CG 4.31Å
300R90.6Very high76.7Confident153 Ų15383.3 Ų83.358%0.57745%0.445SS*.EExtended strand (participates in β ladder)trans-122.3137.8175.9-69.6-177.3173.1176.3-3.6110.3V335 N336 L337R300-V335 PolarHBondContact N-O 2.92Å; R300-N336 WeakPolarHBondContact O-CA 3.34Å; R300-L337 PolarHBondContact O-N 2.9Å
301G88Confident79.6Confident33 Ų3383.8 Ų83.834%0.3443%0.426SS..EExtended strand (participates in β ladder)trans-108.5132.3172.300000111.2L337G301-L337 CarbonylContact C-O 3.58Å; G301-L337 WeakPolarHBondContact CA-O 3.5Å
302E86Confident82.2Confident91 Ų9183 Ų8343%0.42541%0.408SS..EExtended strand (participates in β ladder)trans-109123.6163.8-64.6-179.5-160.400107.9I304 L337 K338 V339E302-I304 PolarHBondContact O-N 2.66Å; E302-L337 PolarHBondContact N-O 3.1Å; E302-K338 HydrophobicContact CB-CG 4.1Å; E302-K338 HydrophobicContact CG-CG 4.47Å; E302-K338 WeakPolarHBondContact O-CA 3.48Å; E302-K338 WeakPolarHBondContact OE1-CE 3.45Å; E302-K338 IonicContact OE1-NZ 3.04Å; E302-K338 PolarHBondContact OE1-NZ 3.33Å; E302-K338 VanDerWaalsContact OE2-CD 3.25Å; E302-K338 WeakPolarHBondContact OE2-CD 3.41Å; E302-K338 WeakPolarHBondContact OE2-CE 3.28Å; E302-K338 IonicContact OE2-NZ 3.6Å; E302-K338 PolarHBondContact OE2-NZ 3.46Å; E302-V339 PolarHBondContact O-N 3.48Å
303N83Confident84.7Confident149 Ų14979.8 Ų79.880%0.79739%0.389SS*.SBendtrans59.120.6-173.8-53.2-26.8000114.9
304I86.4Confident86.7Confident44 Ų4470.9 Ų70.923%0.22636%0.355CS..SBendtrans-144.5137.1174.4-170.7179.2000110.2E302 I310 L337 V339 L367E302-I304 PolarHBondContact O-N 2.66Å; I304-I310 HydrophobicContact CD1-CD1 3.84Å; I304-L337 HydrophobicContact CG2-CB 4.17Å; I304-V339 HydrophobicContact CB-CG2 3.93Å; I304-V339 HydrophobicContact CD1-CG2 3.81Å; I304-V339 HydrophobicContact CG1-CG2 4.26Å; I304-V339 HydrophobicContact CG2-CG2 4.32Å; I304-L367 HydrophobicContact CD1-CD2 3.66Å
305E86.8Confident88.2Confident172 Ų17268.3 Ų68.380%0.80434%0.342SS*.  trans-77.3121.3166-73.6-173.7158.800109.8T307E305-T307 PolarHBondContact O-N 2.83Å
306V88.7Confident89Confident42 Ų4275 Ų7526%0.25537%0.37SS..  trans-76.394.1177.4-174.70000108.6V299 I310 R311 L337V299-V306 HydrophobicContact CB-CG1 4.4Å; V299-V306 HydrophobicContact CG1-CG1 3.72Å; V299-V306 HydrophobicContact CG1-CG2 4.32Å; V306-I310 HydrophobicContact CG1-CB 4.48Å; V306-I310 HydrophobicContact CG1-CG2 4.28Å; V306-R311 HydrophobicContact CG1-CB 4.5Å; V306-L337 HydrophobicContact CG2-CD1 4.49Å
307T90.6Very high89.3Confident71 Ų7171.4 Ų71.444%0.43636%0.355SS..  trans-68.7159.2172.966.20000111.1E305 A309 I310 R311E305-T307 PolarHBondContact O-N 2.83Å; T307-A309 PolarHBondContact O-N 3.41Å; T307-I310 PolarHBondContact O-N 3.15Å; T307-I310 VanDerWaalsContact O-N 3.08Å; T307-I310 WeakPolarHBondContact OG1-CG1 3.48Å; T307-I310 PolarHBondContact OG1-N 3.14Å; T307-R311 PolarHBondContact O-N 2.9Å
308E89.4Confident89.4Confident116 Ų11669.9 Ų69.954%0.54235%0.349SS..Hα-helixtrans-61.3-31.6177.9-164.359.1-157.400112.1R311 N312E308-R311 PolarHBondContact O-N 3.23Å; E308-R311 IonicContact OE2-NE 2.91Å; E308-N312 WeakPolarHBondContact O-CB 3.26Å; E308-N312 VanDerWaalsContact O-CG 3.24Å; E308-N312 PolarHBondContact O-N 3.35Å; E308-N312 PolarHBondContact O-ND2 2.9Å
309A90.1Very high89.1Confident56 Ų5668.3 Ų68.346%0.46335%0.345SS..Hα-helixtrans-61.4-43.7173.900000112T307 Y313T307-A309 PolarHBondContact O-N 3.41Å; A309-Y313 WeakPolarHBondContact O-CB 3.43Å; A309-Y313 PolarHBondContact O-N 3.26Å
310I90.7Very high88.9Confident11 Ų1172.7 Ų72.76%0.05636%0.363CS..Hα-helixtrans-66.3-45.1177.3-65.4167.6000110.1I304 V306 T307 Y313 V314 L337 L367I304-I310 HydrophobicContact CD1-CD1 3.84Å; V306-I310 HydrophobicContact CG1-CB 4.48Å; V306-I310 HydrophobicContact CG1-CG2 4.28Å; T307-I310 PolarHBondContact O-N 3.15Å; T307-I310 VanDerWaalsContact O-N 3.08Å; T307-I310 WeakPolarHBondContact OG1-CG1 3.48Å; T307-I310 PolarHBondContact OG1-N 3.14Å; I310-Y313 PolarHBondContact O-N 3.27Å; I310-V314 HydrophobicContact CG2-CG2 4.49Å; I310-V314 WeakPolarHBondContact O-CG2 3.26Å; I310-V314 PolarHBondContact O-N 3.4Å; I310-L337 HydrophobicContact CG2-CD1 3.41Å; I310-L337 VanDerWaalsContact CG2-CD1 3.41Å; I310-L367 HydrophobicContact CD1-CD2 3.8Å; I310-L367 HydrophobicContact CG1-CD2 4.04Å; I310-L367 HydrophobicContact CG2-CD2 4.05Å
311R90.9Very high88.6Confident78 Ų7865.4 Ų65.429%0.29434%0.336SS..Hα-helixtrans-57.8-52.1176.8-178.9-177.9-65.8-86.3-3.9111.4V306 T307 E308 Y313 V314 E315V306-R311 HydrophobicContact CG1-CB 4.5Å; T307-R311 PolarHBondContact O-N 2.9Å; E308-R311 PolarHBondContact O-N 3.23Å; E308-R311 IonicContact OE2-NE 2.91Å; R311-Y313 PolarHBondContact O-N 2.58Å; R311-V314 PolarHBondContact O-N 3.15Å; R311-E315 WeakPolarHBondContact O-CG 3.48Å; R311-E315 PolarHBondContact O-N 3.34Å
312N91Very high88.1Confident83 Ų8366.1 Ų66.144%0.44433%0.33SS..Hα-helixtrans-59.7-36.8178.3-74.6-29000112.2E308 K316E308-N312 WeakPolarHBondContact O-CB 3.26Å; E308-N312 VanDerWaalsContact O-CG 3.24Å; E308-N312 PolarHBondContact O-N 3.35Å; E308-N312 PolarHBondContact O-ND2 2.9Å; N312-K316 WeakPolarHBondContact O-CB 3.41Å; N312-K316 PolarHBondContact O-N 3.29Å
313Y92.2Very high87.9Confident52 Ų5267.7 Ų67.720%0.20433%0.332CS..Hα-helixtrans-66.7-45.4176.7-166.4-96.5000112.1A309 I310 R311 K316 K317 Y368 I371 D372A309-Y313 WeakPolarHBondContact O-CB 3.43Å; A309-Y313 PolarHBondContact O-N 3.26Å; I310-Y313 PolarHBondContact O-N 3.27Å; R311-Y313 PolarHBondContact O-N 2.58Å; Y313-K316 PolarHBondContact O-N 3.34Å; Y313-K317 HydrophobicContact CD1-CG 4Å; Y313-K317 HydrophobicContact CE1-CD 4.46Å; Y313-K317 HydrophobicContact CE1-CG 3.7Å; Y313-K317 HydrophobicContact CE2-CG 4.39Å; Y313-K317 HydrophobicContact CG-CG 4.49Å; Y313-K317 VanDerWaalsContact CZ-CE 3.46Å; Y313-K317 WeakPolarHBondContact O-CB 3.38Å; Y313-K317 WeakPolarHBondContact O-CG 3.45Å; Y313-K317 PolarHBondContact O-N 2.95Å; Y313-K317 VanDerWaalsContact OH-CE 3.23Å; Y313-K317 WeakPolarHBondContact OH-CE 3.45Å; Y313-K317 PolarHBondContact OH-NZ 3.38Å; Y313-Y368 AromaticContact CD1-CD1 3.52Å; Y313-Y368 HydrophobicContact CD1-CD1 3.52Å; Y313-Y368 HydrophobicContact CD1-CE1 4.14Å; Y313-Y368 AromaticContact CD2-CD1 3.73Å; Y313-Y368 HydrophobicContact CD2-CD1 3.73Å; Y313-Y368 AromaticContact CD2-CE1 3.98Å; Y313-Y368 HydrophobicContact CD2-CE1 3.98Å; Y313-Y368 AromaticContact CE1-CD1 3.64Å; Y313-Y368 HydrophobicContact CE1-CD1 3.64Å; Y313-Y368 HydrophobicContact CE1-CG 4.35Å; Y313-Y368 AromaticContact CE2-CD1 3.84Å; Y313-Y368 HydrophobicContact CE2-CD1 3.84Å; Y313-Y368 HydrophobicContact CE2-CE1 4.49Å; Y313-Y368 AromaticContact CG-CD1 3.56Å; Y313-Y368 HydrophobicContact CG-CD1 3.56Å; Y313-Y368 AromaticContact CG-CE1 3.77Å; Y313-Y368 HydrophobicContact CG-CE1 3.77Å; Y313-Y368 AromaticContact CZ-CD1 3.78Å; Y313-I371 HydrophobicContact CD1-CB 4.26Å; Y313-I371 HydrophobicContact CD1-CD1 3.74Å; Y313-I371 HydrophobicContact CD1-CG2 3.95Å; Y313-I371 HydrophobicContact CE1-CB 4.04Å; Y313-I371 HydrophobicContact CE1-CD1 4.27Å; Y313-I371 HydrophobicContact CE1-CG2 3.9Å; Y313-D372 VanDerWaalsContact OH-CG 3.31Å; Y313-D372 PolarHBondContact OH-OD1 2.76Å; Y313-D372 PolarHBondContact OH-OD2 2.98Å
314V91.6Very high87.5Confident0 Ų061.3 Ų61.30%030%0.297CS..Hα-helixtrans-59.3-49.1175.31710000110.6V299 I310 R311 K316 K317 V318 V335 I371V299-V314 HydrophobicContact CG2-CB 4.36Å; V299-V314 HydrophobicContact CG2-CG1 3.92Å; I310-V314 HydrophobicContact CG2-CG2 4.49Å; I310-V314 WeakPolarHBondContact O-CG2 3.26Å; I310-V314 PolarHBondContact O-N 3.4Å; R311-V314 PolarHBondContact O-N 3.15Å; V314-K316 PolarHBondContact O-N 3.31Å; V314-K317 PolarHBondContact O-N 3.19Å; V314-V318 HydrophobicContact CG1-CG2 4Å; V314-V318 VanDerWaalsContact O-CB 3.28Å; V314-V318 WeakPolarHBondContact O-CB 3.47Å; V314-V318 VanDerWaalsContact O-CG2 3.3Å; V314-V318 WeakPolarHBondContact O-CG2 3.13Å; V314-V318 PolarHBondContact O-N 2.91Å; V314-V335 HydrophobicContact CG1-CB 4.19Å; V314-V335 HydrophobicContact CG1-CG1 4Å; V314-V335 HydrophobicContact CG1-CG2 3.76Å; V314-V335 HydrophobicContact CG2-CG1 4.34Å; V314-I371 HydrophobicContact CG2-CD1 3.69Å; V314-I371 HydrophobicContact CG2-CG1 4.37Å
315E90.7Very high86.7Confident63 Ų6360.3 Ų60.329%0.29429%0.291SS..Hα-helixtrans-61.8-43.7179.5-68.9-176.6-17500111.6Y297 R311 K317 G319Y297-E315 HydrophobicContact CD1-CG 4.34Å; Y297-E315 HydrophobicContact CD2-CB 4.4Å; Y297-E315 HydrophobicContact CD2-CG 3.7Å; Y297-E315 HydrophobicContact CE2-CB 4.45Å; Y297-E315 HydrophobicContact CE2-CG 4.23Å; Y297-E315 HydrophobicContact CG-CG 3.78Å; R311-E315 WeakPolarHBondContact O-CG 3.48Å; R311-E315 PolarHBondContact O-N 3.34Å; E315-K317 PolarHBondContact O-N 2.69Å; E315-G319 VanDerWaalsContact O-CA 3.32Å; E315-G319 WeakPolarHBondContact O-CA 3.35Å; E315-G319 PolarHBondContact O-N 3.5Å
316K90.7Very high85.5Confident152 Ų15255.7 Ų55.766%0.66128%0.275SS*.Hα-helixtrans-63-40.5177.1-176.8179.4-178.6179.30112.8N312 Y313 V314N312-K316 WeakPolarHBondContact O-CB 3.41Å; N312-K316 PolarHBondContact O-N 3.29Å; Y313-K316 PolarHBondContact O-N 3.34Å; V314-K316 PolarHBondContact O-N 3.31Å
317K90.6Very high84.1Confident36 Ų3658.4 Ų58.416%0.15729%0.288CS..Hα-helixtrans-82-47.2-175.7-69.3-70.8-179.8126.10111.9Y313 V314 E315 G319 K320 I371 D372 V375Y313-K317 HydrophobicContact CD1-CG 4Å; Y313-K317 HydrophobicContact CE1-CD 4.46Å; Y313-K317 HydrophobicContact CE1-CG 3.7Å; Y313-K317 HydrophobicContact CE2-CG 4.39Å; Y313-K317 HydrophobicContact CG-CG 4.49Å; Y313-K317 VanDerWaalsContact CZ-CE 3.46Å; Y313-K317 WeakPolarHBondContact O-CB 3.38Å; Y313-K317 WeakPolarHBondContact O-CG 3.45Å; Y313-K317 PolarHBondContact O-N 2.95Å; Y313-K317 VanDerWaalsContact OH-CE 3.23Å; Y313-K317 WeakPolarHBondContact OH-CE 3.45Å; Y313-K317 PolarHBondContact OH-NZ 3.38Å; V314-K317 PolarHBondContact O-N 3.19Å; E315-K317 PolarHBondContact O-N 2.69Å; K317-G319 VanDerWaalsContact C-N 3.32Å; K317-K320 WeakPolarHBondContact O-CB 3.32Å; K317-K320 PolarHBondContact O-N 2.68Å; K317-I371 HydrophobicContact CB-CG2 3.99Å; K317-I371 HydrophobicContact CG-CG2 4.3Å; K317-D372 VanDerWaalsContact CD-OD1 3.26Å; K317-D372 WeakPolarHBondContact CD-OD1 3.43Å; K317-D372 VanDerWaalsContact CE-OD1 3.27Å; K317-D372 WeakPolarHBondContact CE-OD1 3.42Å; K317-D372 IonicContact NZ-OD1 3.2Å; K317-D372 PolarHBondContact NZ-OD1 2.78Å; K317-D372 IonicContact NZ-OD2 2.74Å; K317-D372 PolarHBondContact NZ-OD2 3.18Å; K317-V375 HydrophobicContact CB-CG2 4.11Å
318V87.3Confident82.6Confident1 Ų155.9 Ų55.91%0.00627%0.273CS..Hα-helixtrans-69-32.4176.9-1780000110.8Y297 V314 K320 L321 A333 I351 V375Y297-V318 HydrophobicContact CD1-CB 4.38Å; Y297-V318 HydrophobicContact CD1-CG1 4.28Å; Y297-V318 HydrophobicContact CE1-CB 3.81Å; Y297-V318 HydrophobicContact CE1-CG1 3.71Å; V314-V318 HydrophobicContact CG1-CG2 4Å; V314-V318 VanDerWaalsContact O-CB 3.28Å; V314-V318 WeakPolarHBondContact O-CB 3.47Å; V314-V318 VanDerWaalsContact O-CG2 3.3Å; V314-V318 WeakPolarHBondContact O-CG2 3.13Å; V314-V318 PolarHBondContact O-N 2.91Å; V318-K320 PolarHBondContact O-N 2.74Å; V318-K320 VanDerWaalsContact O-N 3.16Å; V318-L321 HydrophobicContact CG1-CD1 4.29Å; V318-L321 VanDerWaalsContact O-CB 3.26Å; V318-L321 WeakPolarHBondContact O-CB 3.42Å; V318-L321 WeakPolarHBondContact O-CG 3.37Å; V318-L321 PolarHBondContact O-N 3.38Å; V318-A333 HydrophobicContact CG1-CB 4.27Å; V318-I351 HydrophobicContact CG1-CD1 4.43Å; V318-V375 HydrophobicContact CG2-CG2 4.32Å
319G85.3Confident81.1Confident19 Ų1953.8 Ų53.820%0.19627%0.269CS..G310 helixtrans-61-21.4173.700000114.1Y297 E315 K317 L321 E322Y297-G319 WeakPolarHBondContact OH-CA 3.49Å; Y297-G319 PolarHBondContact OH-N 2.79Å; E315-G319 VanDerWaalsContact O-CA 3.32Å; E315-G319 WeakPolarHBondContact O-CA 3.35Å; E315-G319 PolarHBondContact O-N 3.5Å; K317-G319 VanDerWaalsContact C-N 3.32Å; G319-L321 PolarHBondContact O-N 3.17Å; G319-E322 VanDerWaalsContact O-CB 3.27Å; G319-E322 WeakPolarHBondContact O-CB 3.43Å; G319-E322 WeakPolarHBondContact O-CG 3.42Å; G319-E322 PolarHBondContact O-N 3.37Å; G319-E322 VanDerWaalsContact O-N 3.09Å
320K85.6Confident80Confident105 Ų10556.2 Ų56.246%0.45727%0.274SS..G310 helixtrans-61.7-24.9170-65.6-176.4177.3-175.80112.7K317 V318 E322 R323K317-K320 WeakPolarHBondContact O-CB 3.32Å; K317-K320 PolarHBondContact O-N 2.68Å; V318-K320 PolarHBondContact O-N 2.74Å; V318-K320 VanDerWaalsContact O-N 3.16Å; K320-E322 VanDerWaalsContact C-N 3.26Å; K320-E322 PolarHBondContact O-N 3.02Å; K320-R323 WeakPolarHBondContact O-CD 3.42Å; K320-R323 WeakPolarHBondContact O-CG 2.92Å; K320-R323 PolarHBondContact O-NE 2.87Å
321L84.2Confident79.2Confident0 Ų056.1 Ų56.10%028%0.275CS..G310 helixtrans-72.1-23.2178.1-59.4174.2000111.7V318 G319 R323 Y324 F325 I351 V375 L378 E379 I382V318-L321 HydrophobicContact CG1-CD1 4.29Å; V318-L321 VanDerWaalsContact O-CB 3.26Å; V318-L321 WeakPolarHBondContact O-CB 3.42Å; V318-L321 WeakPolarHBondContact O-CG 3.37Å; V318-L321 PolarHBondContact O-N 3.38Å; G319-L321 PolarHBondContact O-N 3.17Å; L321-R323 PolarHBondContact O-N 3.22Å; L321-R323 VanDerWaalsContact O-N 3.15Å; L321-Y324 HydrophobicContact CD2-CD2 4.47Å; L321-Y324 WeakPolarHBondContact O-CB 3.04Å; L321-Y324 PolarHBondContact O-N 3.24Å; L321-F325 HydrophobicContact CB-CE2 4.34Å; L321-F325 WeakPolarHBondContact O-CD2 3.01Å; L321-F325 WeakPolarHBondContact O-CE2 3.39Å; L321-I351 HydrophobicContact CD1-CD1 4.15Å; L321-V375 HydrophobicContact CD2-CG1 4.35Å; L321-L378 HydrophobicContact CD1-CB 3.85Å; L321-L378 HydrophobicContact CD1-CD1 3.68Å; L321-L378 HydrophobicContact CD1-CG 4.41Å; L321-L378 HydrophobicContact CD2-CB 4.26Å; L321-E379 HydrophobicContact CD2-CB 4.22Å; L321-I382 HydrophobicContact CD2-CD1 4Å
322E79.4Confident78.9Confident47 Ų4754.5 Ų54.522%0.2227%0.274CS..G310 helixtrans-55.6-32.4177.7-66.5179.1175.400111.9F295 Y297 G319 K320 Y324 F325F295-E322 HydrophobicContact CD2-CB 4.46Å; F295-E322 HydrophobicContact CD2-CG 3.2Å; F295-E322 HydrophobicContact CE2-CB 4.28Å; F295-E322 HydrophobicContact CE2-CG 3.44Å; F295-E322 VanDerWaalsContact CE2-CG 3.44Å; F295-E322 HydrophobicContact CG-CG 4.16Å; F295-E322 PolarHBondContact N-OE1 3.39Å; Y297-E322 PolarHBondContact OH-OE1 3.24Å; G319-E322 VanDerWaalsContact O-CB 3.27Å; G319-E322 WeakPolarHBondContact O-CB 3.43Å; G319-E322 WeakPolarHBondContact O-CG 3.42Å; G319-E322 PolarHBondContact O-N 3.37Å; G319-E322 VanDerWaalsContact O-N 3.09Å; K320-E322 VanDerWaalsContact C-N 3.26Å; K320-E322 PolarHBondContact O-N 3.02Å; E322-Y324 PolarHBondContact O-N 3.07Å; E322-Y324 VanDerWaalsContact O-N 3.09Å; E322-F325 PolarHBondContact O-N 2.89Å
323R80.3Confident78.7Confident125 Ų12550.6 Ų50.647%0.47225%0.253SS..G310 helixtrans-58.6-25.4178.777.9-166165.7164.3-4.5114.1K320 L321 F325 E379K320-R323 WeakPolarHBondContact O-CD 3.42Å; K320-R323 WeakPolarHBondContact O-CG 2.92Å; K320-R323 PolarHBondContact O-NE 2.87Å; L321-R323 PolarHBondContact O-N 3.22Å; L321-R323 VanDerWaalsContact O-N 3.15Å; R323-F325 VanDerWaalsContact C-N 3.32Å; R323-E379 IonicContact CZ-OE2 2.72Å; R323-E379 VanDerWaalsContact NH2-CD 3.27Å; R323-E379 IonicContact NH2-OE1 3.45Å; R323-E379 PolarHBondContact NH2-OE1 3.31Å; R323-E379 IonicContact NH2-OE2 3.99Å; R323-E379 PolarHBondContact NH2-OE2 3.24Å
324Y74.5Confident78.6Confident15 Ų1552.5 Ų52.56%0.05926%0.26CS..G310 helixtrans-80.4-19.1-179.2-70.2-69.5000112.6L321 E322 E379 I382 L406 A409L321-Y324 HydrophobicContact CD2-CD2 4.47Å; L321-Y324 WeakPolarHBondContact O-CB 3.04Å; L321-Y324 PolarHBondContact O-N 3.24Å; E322-Y324 PolarHBondContact O-N 3.07Å; E322-Y324 VanDerWaalsContact O-N 3.09Å; Y324-E379 HydrophobicContact CE2-CG 3.79Å; Y324-E379 WeakPolarHBondContact OH-CG 3.34Å; Y324-E379 PolarHBondContact OH-OE1 3.16Å; Y324-I382 HydrophobicContact CD1-CG2 3.98Å; Y324-I382 HydrophobicContact CD2-CD1 4.11Å; Y324-I382 HydrophobicContact CD2-CG2 4.43Å; Y324-I382 HydrophobicContact CG-CD1 4.38Å; Y324-I382 HydrophobicContact CG-CG2 3.81Å; Y324-L406 CarbonylContact O-C 3.58Å; Y324-L406 VanDerWaalsContact O-CA 3.26Å; Y324-L406 WeakPolarHBondContact O-CA 3.37Å; Y324-L406 WeakPolarHBondContact O-CD2 3.45Å; Y324-A409 HydrophobicContact CE1-CB 3.96Å
325F70.4Confident78.6Confident23 Ų2352.6 Ų52.610%0.10126%0.261CS..  trans-109.4113.4-169.3-65.3-67.2000110.4F295 L321 E322 R323 V328 L353 L358 I382 V405 L406F295-F325 HydrophobicContact CE2-CD2 4.01Å; F295-F325 HydrophobicContact CE2-CE2 4.19Å; F295-F325 AromaticContact CZ-CD2 3.5Å; F295-F325 HydrophobicContact CZ-CD2 3.5Å; F295-F325 VanDerWaalsContact CZ-CD2 3.5Å; F295-F325 AromaticContact CZ-CE2 3.65Å; F295-F325 HydrophobicContact CZ-CE2 3.65Å; F295-F325 HydrophobicContact CZ-CG 4.29Å; L321-F325 HydrophobicContact CB-CE2 4.34Å; L321-F325 WeakPolarHBondContact O-CD2 3.01Å; L321-F325 WeakPolarHBondContact O-CE2 3.39Å; E322-F325 PolarHBondContact O-N 2.89Å; R323-F325 VanDerWaalsContact C-N 3.32Å; F325-V328 HydrophobicContact CB-CB 4.26Å; F325-V328 HydrophobicContact CB-CG2 3.43Å; F325-V328 VanDerWaalsContact CB-CG2 3.43Å; F325-V328 HydrophobicContact CD1-CG2 3.23Å; F325-V328 HydrophobicContact CE1-CG2 4.18Å; F325-V328 HydrophobicContact CG-CG2 3.54Å; F325-L353 HydrophobicContact CD1-CD1 4.33Å; F325-L353 HydrophobicContact CE1-CD1 3.34Å; F325-L353 HydrophobicContact CE1-CD2 4.5Å; F325-L353 HydrophobicContact CZ-CD1 3.72Å; F325-L358 HydrophobicContact CZ-CD1 3.7Å; F325-I382 HydrophobicContact CE2-CD1 3.92Å; F325-I382 HydrophobicContact CZ-CD1 3.77Å; F325-I382 HydrophobicContact CZ-CG1 4.25Å; F325-V405 WeakPolarHBondContact CA-O 3.35Å; F325-L406 HydrophobicContact CD1-CD2 3.18Å; F325-L406 HydrophobicContact CD1-CG 3.9Å; F325-L406 HydrophobicContact CE1-CD1 4.4Å; F325-L406 HydrophobicContact CE1-CD2 3.25Å; F325-L406 HydrophobicContact CE1-CG 4.08Å; F325-L406 HydrophobicContact CG-CD2 4.02Å; F325-L406 HydrophobicContact CZ-CD2 4.11Å
326T62Low78.7Confident75 Ų7551.5 Ų51.546%0.4626%0.257SS..SBendtrans-89.8-34.5-177.1-330000111.4V405 V407T326-V405 PolarHBondContact N-O 3.35Å; T326-V405 VanDerWaalsContact N-O 3.14Å; T326-V407 PolarHBondContact OG1-N 2.91Å; T326-V407 VanDerWaalsContact OG1-N 3.15Å; T326-V407 PolarHBondContact OG1-O 2.85Å
327D58.7Low78.8Confident98 Ų9844.3 Ų44.352%0.52423%0.226SC..SBendtrans-14244.7-170.9-74.1-53.8000113.5
328V59.2Low78.7Confident19 Ų1944.8 Ų44.812%0.11523%0.228CC..  trans-83137.3178.4-176.30000110.7F325 A331 L353 V405F325-V328 HydrophobicContact CB-CB 4.26Å; F325-V328 HydrophobicContact CB-CG2 3.43Å; F325-V328 VanDerWaalsContact CB-CG2 3.43Å; F325-V328 HydrophobicContact CD1-CG2 3.23Å; F325-V328 HydrophobicContact CE1-CG2 4.18Å; F325-V328 HydrophobicContact CG-CG2 3.54Å; V328-A331 HydrophobicContact CG1-CB 3.93Å; V328-L353 HydrophobicContact CG1-CD2 3.52Å; V328-V405 HydrophobicContact CB-CG1 4.26Å; V328-V405 HydrophobicContact CG2-CG1 3.3Å
329P57.9Low78.8Confident72 Ų7246.8 Ų46.847%0.46824%0.24SC..  trans-57.1165.5168.422.5-33.4000111.8A331 P354P329-A331 VanDerWaalsContact C-N 3.28Å; P329-A331 PolarHBondContact O-N 2.76Å; P329-P354 HydrophobicContact CG-CG 3.69Å
330D67.1Low78.8Confident107 Ų10751 Ų5157%0.57225%0.251SS*.SBendtrans-49.384.8174.2-85.78.7000112.2K296K296-D330 IonicContact NZ-OD2 3.49Å; K296-D330 PolarHBondContact NZ-OD2 3.03Å
331A73.6Confident78.5Confident8 Ų853.1 Ų53.17%0.06627%0.273CS..  trans-91135.5-175.100000109.9F295 K296 V328 P329 L353F295-A331 HydrophobicContact CD1-CB 3.7Å; F295-A331 HydrophobicContact CE1-CB 3.65Å; K296-A331 PolarHBondContact N-O 2.87Å; V328-A331 HydrophobicContact CG1-CB 3.93Å; P329-A331 VanDerWaalsContact C-N 3.28Å; P329-A331 PolarHBondContact O-N 2.76Å; A331-L353 HydrophobicContact CB-CD2 4.05Å
332T84.1Confident78.3Confident45 Ų4561 Ų6128%0.27631%0.309SS..EExtended strand (participates in β ladder)trans-96.9115.2176.74.60000109.6K296 Y334 P352K296-T332 HydrophobicContact CB-CG2 3.58Å; K296-T332 CarbonylContact O-C 3.54Å; K296-T332 VanDerWaalsContact O-CA 3.23Å; K296-T332 WeakPolarHBondContact O-CA 3.36Å; T332-Y334 WeakPolarHBondContact O-CD2 3.4Å; T332-P352 WeakPolarHBondContact O-CD 3.48Å
333A87.3Confident78.2Confident0 Ų067.2 Ų67.20%034%0.336CS..EExtended strand (participates in β ladder)trans-82.5114.717100000109.5K296 Y297 N298 V318 I351K296-A333 PolarHBondContact O-N 3.37Å; Y297-A333 HydrophobicContact CD1-CB 4.14Å; N298-A333 PolarHBondContact N-O 3.34Å; V318-A333 HydrophobicContact CG1-CB 4.27Å; A333-I351 HydrophobicContact CB-CD1 4.35Å; A333-I351 HydrophobicContact CB-CG1 3.98Å
334Y91.1Very high78.6Confident93 Ų9363 Ų6337%0.36532%0.324SS..EExtended strand (participates in β ladder)trans-91119.5175-61-84.4000109.3N298 T332 V349 T350 P352N298-Y334 HydrophobicContact CB-CD1 3.98Å; N298-Y334 HydrophobicContact CB-CE1 4.37Å; T332-Y334 WeakPolarHBondContact O-CD2 3.4Å; Y334-V349 CarbonylContact O-C 3.57Å; Y334-V349 WeakPolarHBondContact O-CA 3.34Å; Y334-T350 PolarHBondContact N-O 3.42Å; Y334-T350 PolarHBondContact O-N 3.17Å; Y334-P352 HydrophobicContact CD2-CG 4.47Å; Y334-P352 HydrophobicContact CE2-CG 4.05Å
335V91.3Very high79.2Confident1 Ų162.5 Ų62.51%0.00632%0.323CS..EExtended strand (participates in β ladder)trans-120.4113.4-179.3-174.80000108.6N298 V299 R300 V314 L337 V347 E348 V349N298-V335 PolarHBondContact O-N 3.08Å; V299-V335 WeakPolarHBondContact CA-O 3.28Å; V299-V335 HydrophobicContact CG2-CB 4.4Å; R300-V335 PolarHBondContact N-O 2.92Å; V314-V335 HydrophobicContact CG1-CB 4.19Å; V314-V335 HydrophobicContact CG1-CG1 4Å; V314-V335 HydrophobicContact CG1-CG2 3.76Å; V314-V335 HydrophobicContact CG2-CG1 4.34Å; V335-L337 HydrophobicContact CG1-CD2 3.82Å; V335-L337 HydrophobicContact CG1-CG 4.36Å; V335-V347 HydrophobicContact CG1-CG1 4.36Å; V335-E348 WeakPolarHBondContact CA-O 3.34Å; V335-V349 HydrophobicContact CB-CG2 4.44Å; V335-V349 HydrophobicContact CG1-CG2 4.04Å; V335-V349 HydrophobicContact CG2-CG1 4.42Å; V335-V349 HydrophobicContact CG2-CG2 4.06Å
336N92.5Very high80.2Confident40 Ų4062.9 Ų62.921%0.21433%0.325CS..EExtended strand (participates in β ladder)trans-105.6122.8174.7-60.4-47.4000109.2R300 V347 E348R300-N336 WeakPolarHBondContact O-CA 3.34Å; N336-V347 WeakPolarHBondContact O-CA 3.35Å; N336-E348 HydrophobicContact CB-CB 4.34Å; N336-E348 PolarHBondContact N-O 2.87Å; N336-E348 PolarHBondContact O-N 2.9Å
337L91.5Very high81.7Confident1 Ų159.4 Ų59.41%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-107123177.5-52.4176.7000107.8V299 R300 G301 E302 I304 V306 I310 V335 V347 L367 I371V299-L337 HydrophobicContact CG1-CD1 3.81Å; V299-L337 HydrophobicContact CG1-CG 4.31Å; R300-L337 PolarHBondContact O-N 2.9Å; G301-L337 CarbonylContact C-O 3.58Å; G301-L337 WeakPolarHBondContact CA-O 3.5Å; E302-L337 PolarHBondContact N-O 3.1Å; I304-L337 HydrophobicContact CG2-CB 4.17Å; V306-L337 HydrophobicContact CG2-CD1 4.49Å; I310-L337 HydrophobicContact CG2-CD1 3.41Å; I310-L337 VanDerWaalsContact CG2-CD1 3.41Å; V335-L337 HydrophobicContact CG1-CD2 3.82Å; V335-L337 HydrophobicContact CG1-CG 4.36Å; L337-V347 HydrophobicContact CD2-CB 4.32Å; L337-V347 HydrophobicContact CD2-CG1 3.91Å; L337-V347 HydrophobicContact CD2-CG2 3.68Å; L337-L367 HydrophobicContact CB-CD1 4.26Å; L337-L367 HydrophobicContact CD2-CD1 4.09Å; L337-I371 HydrophobicContact CD2-CG1 4.49Å
338K89.9Confident83.3Confident46 Ų4655.9 Ų55.920%0.228%0.284CS..EExtended strand (participates in β ladder)trans-122.8130.6175.7-48.6-163.8-178.6-1500109.3E302 A345 K346E302-K338 HydrophobicContact CB-CG 4.1Å; E302-K338 HydrophobicContact CG-CG 4.47Å; E302-K338 WeakPolarHBondContact O-CA 3.48Å; E302-K338 WeakPolarHBondContact OE1-CE 3.45Å; E302-K338 IonicContact OE1-NZ 3.04Å; E302-K338 PolarHBondContact OE1-NZ 3.33Å; E302-K338 VanDerWaalsContact OE2-CD 3.25Å; E302-K338 WeakPolarHBondContact OE2-CD 3.41Å; E302-K338 WeakPolarHBondContact OE2-CE 3.28Å; E302-K338 IonicContact OE2-NZ 3.6Å; E302-K338 PolarHBondContact OE2-NZ 3.46Å; K338-A345 CarbonylContact O-C 3.45Å; K338-A345 WeakPolarHBondContact O-CA 3.32Å; K338-K346 HydrophobicContact CB-CB 4.39Å; K338-K346 PolarHBondContact N-O 3.14Å; K338-K346 PolarHBondContact O-N 2.95Å
339V88.4Confident85Confident43 Ų4355.1 Ų55.126%0.26128%0.279SS..EExtended strand (participates in β ladder)trans-111.2128.3171.7-179.30000109E302 I304 A345E302-V339 PolarHBondContact O-N 3.48Å; I304-V339 HydrophobicContact CB-CG2 3.93Å; I304-V339 HydrophobicContact CD1-CG2 3.81Å; I304-V339 HydrophobicContact CG1-CG2 4.26Å; I304-V339 HydrophobicContact CG2-CG2 4.32Å; V339-A345 HydrophobicContact CG2-CB 4.35Å
340Y86.2Confident86.6Confident108 Ų10853.3 Ų53.342%0.42427%0.267SS..  trans-93.8153.9174.8-63.7-78.4000110.5E342 K343 T344 K346Y340-E342 PolarHBondContact O-N 3.14Å; Y340-E342 VanDerWaalsContact O-N 3.12Å; Y340-K343 PolarHBondContact O-N 2.84Å; Y340-K343 VanDerWaalsContact O-N 3.15Å; Y340-T344 PolarHBondContact N-O 3.41Å; Y340-K346 HydrophobicContact CE2-CB 3.8Å; Y340-K346 HydrophobicContact CE2-CD 4.47Å
341T79.9Confident87.5Confident150 Ų15048.2 Ų48.292%0.9224%0.239SC*.THydrogen-bonded Turntrans-59-25178.5-39.80000112.7K343T341-K343 PolarHBondContact O-N 3.17Å
342E79.1Confident87.9Confident165 Ų16550.5 Ų50.577%0.77125%0.253SS*.THydrogen-bonded Turntrans-74.816177.5-61.3179.2-177.400113.8Y340 T344Y340-E342 PolarHBondContact O-N 3.14Å; Y340-E342 VanDerWaalsContact O-N 3.12Å; E342-T344 PolarHBondContact O-N 3.22Å
343K77.3Confident87.6Confident177 Ų17749.2 Ų49.277%0.7725%0.245SC*.SBendtrans57.530.4-176.1-53.9179.6-179.9178.20113.1Y340 T341 P365Y340-K343 PolarHBondContact O-N 2.84Å; Y340-K343 VanDerWaalsContact O-N 3.15Å; T341-K343 PolarHBondContact O-N 3.17Å; K343-P365 CarbonylContact O-C 3.57Å; K343-P365 WeakPolarHBondContact O-CA 3.43Å
344T87.8Confident86.5Confident37 Ų3753.3 Ų53.323%0.22727%0.271CS..  trans-107.6139.9170.7570000109.7Y340 E342Y340-T344 PolarHBondContact N-O 3.41Å; E342-T344 PolarHBondContact O-N 3.22Å
345A88.6Confident85.3Confident4 Ų457.6 Ų57.63%0.03329%0.288CS..EExtended strand (participates in β ladder)trans-110.3133.5175.100000109K338 V339 T363 S364 L367 S370K338-A345 CarbonylContact O-C 3.45Å; K338-A345 WeakPolarHBondContact O-CA 3.32Å; V339-A345 HydrophobicContact CG2-CB 4.35Å; A345-T363 CarbonylContact O-C 3.58Å; A345-T363 VanDerWaalsContact O-CA 3.3Å; A345-T363 WeakPolarHBondContact O-CA 3.25Å; A345-S364 PolarHBondContact N-O 3.48Å; A345-S364 PolarHBondContact O-N 2.84Å; A345-L367 HydrophobicContact CB-CB 3.95Å; A345-L367 HydrophobicContact CB-CD1 3.82Å; A345-S370 PolarHBondContact O-OG 3Å
346K91.8Very high84.4Confident32 Ų3259.6 Ų59.614%0.13930%0.298CS..EExtended strand (participates in β ladder)trans-111.3132.2172.4-177.1-178-168.2-159.80109.1K338 Y340 E348 E361 E362 T363K338-K346 HydrophobicContact CB-CB 4.39Å; K338-K346 PolarHBondContact N-O 3.14Å; K338-K346 PolarHBondContact O-N 2.95Å; Y340-K346 HydrophobicContact CE2-CB 3.8Å; Y340-K346 HydrophobicContact CE2-CD 4.47Å; K346-E348 HydrophobicContact CD-CG 4.45Å; K346-E348 VanDerWaalsContact CE-OE1 3.24Å; K346-E348 WeakPolarHBondContact CE-OE1 3.46Å; K346-E348 HydrophobicContact CG-CG 4.43Å; K346-E348 IonicContact NZ-OE1 3.94Å; K346-E348 PolarHBondContact NZ-OE1 3.49Å; K346-E361 VanDerWaalsContact CE-OE2 3.31Å; K346-E361 WeakPolarHBondContact CE-OE2 3.47Å; K346-E361 IonicContact NZ-OE2 2.66Å; K346-E361 PolarHBondContact NZ-OE2 3.39Å; K346-E362 WeakPolarHBondContact CA-O 3.3Å; K346-T363 HydrophobicContact CB-CG2 4.43Å
347V93.2Very high84Confident1 Ų162.1 Ų62.11%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-120.2126.6177.2178.20000108.5V335 N336 L337 V349 E361 E362 L367 S370 I371 V374V335-V347 HydrophobicContact CG1-CG1 4.36Å; N336-V347 WeakPolarHBondContact O-CA 3.35Å; L337-V347 HydrophobicContact CD2-CB 4.32Å; L337-V347 HydrophobicContact CD2-CG1 3.91Å; L337-V347 HydrophobicContact CD2-CG2 3.68Å; V347-V349 HydrophobicContact CG1-CG2 4.1Å; V347-E361 WeakPolarHBondContact O-CA 3.32Å; V347-E362 PolarHBondContact N-O 2.92Å; V347-E362 PolarHBondContact O-N 3.32Å; V347-E362 VanDerWaalsContact O-N 3.09Å; V347-L367 HydrophobicContact CG2-CD1 3.95Å; V347-S370 VanDerWaalsContact CG2-CB 3.44Å; V347-I371 HydrophobicContact CG1-CG1 4.25Å; V347-I371 HydrophobicContact CG2-CG1 3.99Å; V347-V374 HydrophobicContact CB-CG2 4.02Å; V347-V374 HydrophobicContact CG1-CB 4.49Å; V347-V374 HydrophobicContact CG1-CG2 4.02Å; V347-V374 WeakPolarHBondContact O-CG2 3.33Å
348E92.6Very high83.6Confident25 Ų2562.1 Ų62.112%0.11732%0.315CS..EExtended strand (participates in β ladder)trans-119.3122174.9-59.4179.8-172.700109V335 N336 K346 E361V335-E348 WeakPolarHBondContact CA-O 3.34Å; N336-E348 HydrophobicContact CB-CB 4.34Å; N336-E348 PolarHBondContact N-O 2.87Å; N336-E348 PolarHBondContact O-N 2.9Å; K346-E348 HydrophobicContact CD-CG 4.45Å; K346-E348 VanDerWaalsContact CE-OE1 3.24Å; K346-E348 WeakPolarHBondContact CE-OE1 3.46Å; K346-E348 HydrophobicContact CG-CG 4.43Å; K346-E348 IonicContact NZ-OE1 3.94Å; K346-E348 PolarHBondContact NZ-OE1 3.49Å; E348-E361 HydrophobicContact CG-CB 3.95Å
349V92.8Very high83.7Confident3 Ų366.9 Ų66.92%0.01833%0.332CS..EExtended strand (participates in β ladder)trans-117.5128.3177178.70000109.3Y334 V335 V347 I351 R359 A360 V374 L378Y334-V349 CarbonylContact O-C 3.57Å; Y334-V349 WeakPolarHBondContact O-CA 3.34Å; V335-V349 HydrophobicContact CB-CG2 4.44Å; V335-V349 HydrophobicContact CG1-CG2 4.04Å; V335-V349 HydrophobicContact CG2-CG1 4.42Å; V335-V349 HydrophobicContact CG2-CG2 4.06Å; V347-V349 HydrophobicContact CG1-CG2 4.1Å; V349-I351 HydrophobicContact CG1-CD1 4.37Å; V349-I351 HydrophobicContact CG1-CG1 4.1Å; V349-R359 WeakPolarHBondContact O-CA 3.24Å; V349-A360 PolarHBondContact N-O 3.32Å; V349-A360 PolarHBondContact O-N 2.88Å; V349-V374 HydrophobicContact CB-CG1 3.67Å; V349-V374 HydrophobicContact CG2-CG1 3.5Å; V349-V374 VanDerWaalsContact CG2-CG1 3.5Å; V349-L378 HydrophobicContact CB-CD1 3.97Å; V349-L378 HydrophobicContact CG1-CD1 3.65Å
350T91.7Very high83.9Confident34 Ų3465 Ų6521%0.20932%0.321CS..EExtended strand (participates in β ladder)trans-128.8122.2175.7-56.30000109.9Y334 V357 L358Y334-T350 PolarHBondContact N-O 3.42Å; Y334-T350 PolarHBondContact O-N 3.17Å; T350-V357 HydrophobicContact CG2-CG1 4.14Å; T350-L358 CarbonylContact C-O 3.57Å; T350-L358 WeakPolarHBondContact CA-O 3.43Å
351I87.6Confident84.2Confident0 Ų064.1 Ų64.10%032%0.32CS..EExtended strand (participates in β ladder)trans-121.1100.8176.9-50.7175.3000107.2F295 V318 L321 A333 V349 L353 L358F295-I351 HydrophobicContact CE1-CG2 4.22Å; V318-I351 HydrophobicContact CG1-CD1 4.43Å; L321-I351 HydrophobicContact CD1-CD1 4.15Å; A333-I351 HydrophobicContact CB-CD1 4.35Å; A333-I351 HydrophobicContact CB-CG1 3.98Å; V349-I351 HydrophobicContact CG1-CD1 4.37Å; V349-I351 HydrophobicContact CG1-CG1 4.1Å; I351-L353 HydrophobicContact CG2-CD2 3.82Å; I351-L353 HydrophobicContact CG2-CG 4.23Å; I351-L353 PolarHBondContact O-N 2.93Å; I351-L358 HydrophobicContact CB-CB 4.24Å; I351-L358 PolarHBondContact N-O 3.22Å; I351-L358 PolarHBondContact O-N 3.44Å
352P81.7Confident84.9Confident55 Ų5559.7 Ų59.736%0.35729%0.289SS..EExtended strand (participates in β ladder)trans-76.7111.317530-30000109.5T332 Y334T332-P352 WeakPolarHBondContact O-CD 3.48Å; Y334-P352 HydrophobicContact CD2-CG 4.47Å; Y334-P352 HydrophobicContact CE2-CG 4.05Å
353L76.7Confident85.5Confident19 Ų1955.2 Ų55.210%0.09927%0.273CS..  trans-103.3157.7169.6-48170000109.2F325 V328 A331 I351 Y355 L356 L358F325-L353 HydrophobicContact CD1-CD1 4.33Å; F325-L353 HydrophobicContact CE1-CD1 3.34Å; F325-L353 HydrophobicContact CE1-CD2 4.5Å; F325-L353 HydrophobicContact CZ-CD1 3.72Å; V328-L353 HydrophobicContact CG1-CD2 3.52Å; A331-L353 HydrophobicContact CB-CD2 4.05Å; I351-L353 HydrophobicContact CG2-CD2 3.82Å; I351-L353 HydrophobicContact CG2-CG 4.23Å; I351-L353 PolarHBondContact O-N 2.93Å; L353-Y355 PolarHBondContact O-N 3.43Å; L353-Y355 VanDerWaalsContact O-N 3.1Å; L353-L356 WeakPolarHBondContact CA-O 3.49Å; L353-L356 WeakPolarHBondContact CB-O 3.14Å; L353-L356 PolarHBondContact N-O 2.86Å; L353-L356 PolarHBondContact O-N 2.94Å; L353-L358 HydrophobicContact CD1-CD1 3.95Å; L353-L358 HydrophobicContact CD1-CG 4.27Å
354P64.8Low86.1Confident86 Ų8647.5 Ų47.556%0.55824%0.242SC*.SBendtrans-54-34.2-176.6-27.834.8000114.7P329P329-P354 HydrophobicContact CG-CG 3.69Å
355Y65.1Low86.1Confident183 Ų18351.1 Ų51.172%0.71827%0.266SS*.SBendtrans-116.1-5.5-174.7-52-72.5000114L353L353-Y355 PolarHBondContact O-N 3.43Å; L353-Y355 VanDerWaalsContact O-N 3.1Å
356L73.3Confident86.1Confident42 Ų4254.6 Ų54.622%0.2228%0.284CS..  trans-154.1125.8-173.7179.664.4000110.1L353 L358 F385L353-L356 WeakPolarHBondContact CA-O 3.49Å; L353-L356 WeakPolarHBondContact CB-O 3.14Å; L353-L356 PolarHBondContact N-O 2.86Å; L353-L356 PolarHBondContact O-N 2.94Å; L356-L358 HydrophobicContact CD2-CD2 3.52Å; L356-L358 HydrophobicContact CD2-CG 4.01Å; L356-L358 HydrophobicContact CG-CD2 3.94Å; L356-L358 HydrophobicContact CG-CG 4.18Å; L356-F385 HydrophobicContact CB-CZ 4.29Å; L356-F385 HydrophobicContact CD1-CD2 4.09Å; L356-F385 HydrophobicContact CD1-CE2 4.16Å; L356-F385 HydrophobicContact CD2-CB 4.16Å; L356-F385 HydrophobicContact CD2-CD1 3.77Å; L356-F385 HydrophobicContact CD2-CD2 4.05Å; L356-F385 HydrophobicContact CD2-CE1 4.06Å; L356-F385 HydrophobicContact CD2-CE2 4.36Å; L356-F385 HydrophobicContact CD2-CG 3.74Å; L356-F385 HydrophobicContact CD2-CZ 4.35Å
357V83.1Confident85.9Confident94 Ų9453.8 Ų53.857%0.5728%0.281SS*.EExtended strand (participates in β ladder)trans-93.4110.7167.8-177.40000107.9T350T350-V357 HydrophobicContact CG2-CG1 4.14Å
358L85.1Confident85.8Confident1 Ų157.9 Ų57.91%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-84.3120.5171.8-67.3176.5000108.7F325 T350 I351 L353 L356 L378 Q381 I382F325-L358 HydrophobicContact CZ-CD1 3.7Å; T350-L358 CarbonylContact C-O 3.57Å; T350-L358 WeakPolarHBondContact CA-O 3.43Å; I351-L358 HydrophobicContact CB-CB 4.24Å; I351-L358 PolarHBondContact N-O 3.22Å; I351-L358 PolarHBondContact O-N 3.44Å; L353-L358 HydrophobicContact CD1-CD1 3.95Å; L353-L358 HydrophobicContact CD1-CG 4.27Å; L356-L358 HydrophobicContact CD2-CD2 3.52Å; L356-L358 HydrophobicContact CD2-CG 4.01Å; L356-L358 HydrophobicContact CG-CD2 3.94Å; L356-L358 HydrophobicContact CG-CG 4.18Å; L358-L378 HydrophobicContact CB-CD2 3.95Å; L358-Q381 HydrophobicContact CD2-CB 4Å; L358-I382 HydrophobicContact CD1-CD1 3.91Å; L358-I382 HydrophobicContact CD1-CG1 3.69Å; L358-I382 HydrophobicContact CD2-CG1 4.12Å
359R90.3Very high85.8Confident145 Ų14558.4 Ų58.455%0.54731%0.306SS..EExtended strand (participates in β ladder)trans-139.3129.5179-175.2175.6179.1173.71.7110.1V349 Q381V349-R359 WeakPolarHBondContact O-CA 3.24Å; R359-Q381 PolarHBondContact O-NE2 2.95Å; R359-Q381 PolarHBondContact O-OE1 3.01Å
360A92.6Very high85.8Confident3 Ų358.3 Ų58.33%0.02531%0.305CS..EExtended strand (participates in β ladder)trans-142.4142.4173.800000110.1V349 V374 K377 L378V349-A360 PolarHBondContact N-O 3.32Å; V349-A360 PolarHBondContact O-N 2.88Å; A360-V374 HydrophobicContact CB-CG1 3.89Å; A360-K377 HydrophobicContact CB-CB 4.17Å; A360-K377 HydrophobicContact CB-CD 3.98Å; A360-K377 HydrophobicContact CB-CG 3.92Å; A360-L378 HydrophobicContact CB-CD2 3.7Å; A360-L378 HydrophobicContact CB-CG 3.79Å
361E93.1Very high85.9Confident90 Ų9056.9 Ų56.942%0.42130%0.296SS..EExtended strand (participates in β ladder)trans-127.9138.2170.564.5-178.317100108.2K346 V347 E348 K377K346-E361 VanDerWaalsContact CE-OE2 3.31Å; K346-E361 WeakPolarHBondContact CE-OE2 3.47Å; K346-E361 IonicContact NZ-OE2 2.66Å; K346-E361 PolarHBondContact NZ-OE2 3.39Å; V347-E361 WeakPolarHBondContact O-CA 3.32Å; E348-E361 HydrophobicContact CG-CB 3.95Å; E361-K377 PolarHBondContact O-NZ 3.19Å
362E93.9Very high86.1Confident57 Ų5759 Ų5927%0.26631%0.308SS..EExtended strand (participates in β ladder)trans-143150.3169.9-65.9-63.2153.700109.8K346 V347 L373 V374 K377K346-E362 WeakPolarHBondContact CA-O 3.3Å; V347-E362 PolarHBondContact N-O 2.92Å; V347-E362 PolarHBondContact O-N 3.32Å; V347-E362 VanDerWaalsContact O-N 3.09Å; E362-L373 HydrophobicContact CB-CB 3.99Å; E362-L373 HydrophobicContact CG-CB 3.83Å; E362-V374 HydrophobicContact CB-CG2 3.67Å; E362-V374 HydrophobicContact CG-CG2 3.87Å; E362-K377 HydrophobicContact CG-CD 4.28Å; E362-K377 WeakPolarHBondContact OE1-CD 3.43Å; E362-K377 WeakPolarHBondContact OE1-CE 3.15Å; E362-K377 IonicContact OE1-NZ 3.88Å; E362-K377 PolarHBondContact OE1-NZ 3.25Å
363T91.5Very high86.7Confident71 Ų7160 Ų6044%0.43631%0.309SS..EExtended strand (participates in β ladder)trans-123.6132.3177.2-54.80000108.5A345 K346A345-T363 CarbonylContact O-C 3.58Å; A345-T363 VanDerWaalsContact O-CA 3.3Å; A345-T363 WeakPolarHBondContact O-CA 3.25Å; K346-T363 HydrophobicContact CB-CG2 4.43Å
364S90.5Very high87.5Confident16 Ų1659.1 Ų59.111%0.11231%0.305CS..EExtended strand (participates in β ladder)trans-145.1163.7173.8-65.30000111.4A345 D366 S370 L373A345-S364 PolarHBondContact N-O 3.48Å; A345-S364 PolarHBondContact O-N 2.84Å; S364-D366 PolarHBondContact O-N 3.14Å; S364-S370 VanDerWaalsContact CB-OG 3.31Å; S364-S370 WeakPolarHBondContact CB-OG 3.33Å; S364-S370 PolarHBondContact N-OG 2.69Å; S364-S370 VanDerWaalsContact N-OG 3.12Å; S364-L373 WeakPolarHBondContact OG-CD1 3.42Å
365P88.4Confident88.8Confident113 Ų11355.3 Ų55.373%0.73428%0.28SS*.SBendtrans-60.6-25.1174.9-24.235.1000113.6K343K343-P365 CarbonylContact O-C 3.57Å; K343-P365 WeakPolarHBondContact O-CA 3.43Å
366D88.6Confident90.1Very high76 Ų7650.8 Ų50.841%0.40627%0.268SS..SBendtrans-115.6139.6178.417636.2000111.4S364 Y368 A369 S370S364-D366 PolarHBondContact O-N 3.14Å; D366-Y368 PolarHBondContact OD1-N 3.35Å; D366-Y368 WeakPolarHBondContact OD2-CB 3.29Å; D366-A369 HydrophobicContact CB-CB 3.95Å; D366-A369 PolarHBondContact OD2-N 3.32Å; D366-S370 PolarHBondContact O-N 3.22Å; D366-S370 PolarHBondContact O-OG 3.2Å
367L88Confident91Very high16 Ų1651.1 Ų51.18%0.08427%0.268CS..Hα-helixtrans-64.9-42.2178.5-177.170.8000111I304 I310 L337 A345 V347 S370 I371I304-L367 HydrophobicContact CD1-CD2 3.66Å; I310-L367 HydrophobicContact CD1-CD2 3.8Å; I310-L367 HydrophobicContact CG1-CD2 4.04Å; I310-L367 HydrophobicContact CG2-CD2 4.05Å; L337-L367 HydrophobicContact CB-CD1 4.26Å; L337-L367 HydrophobicContact CD2-CD1 4.09Å; A345-L367 HydrophobicContact CB-CB 3.95Å; A345-L367 HydrophobicContact CB-CD1 3.82Å; V347-L367 HydrophobicContact CG2-CD1 3.95Å; L367-S370 WeakPolarHBondContact O-CB 3.22Å; L367-S370 PolarHBondContact O-N 3.37Å; L367-I371 HydrophobicContact CG-CD1 4.37Å; L367-I371 WeakPolarHBondContact O-CG1 3.48Å; L367-I371 PolarHBondContact O-N 3.3Å
368Y91.1Very high91.3Very high87 Ų8746.6 Ų46.634%0.34124%0.241SC..Hα-helixtrans-67.4-42-179.7-62.5-86.4000111.2Y313 D366 S370 I371 D372Y313-Y368 AromaticContact CD1-CD1 3.52Å; Y313-Y368 HydrophobicContact CD1-CD1 3.52Å; Y313-Y368 HydrophobicContact CD1-CE1 4.14Å; Y313-Y368 AromaticContact CD2-CD1 3.73Å; Y313-Y368 HydrophobicContact CD2-CD1 3.73Å; Y313-Y368 AromaticContact CD2-CE1 3.98Å; Y313-Y368 HydrophobicContact CD2-CE1 3.98Å; Y313-Y368 AromaticContact CE1-CD1 3.64Å; Y313-Y368 HydrophobicContact CE1-CD1 3.64Å; Y313-Y368 HydrophobicContact CE1-CG 4.35Å; Y313-Y368 AromaticContact CE2-CD1 3.84Å; Y313-Y368 HydrophobicContact CE2-CD1 3.84Å; Y313-Y368 HydrophobicContact CE2-CE1 4.49Å; Y313-Y368 AromaticContact CG-CD1 3.56Å; Y313-Y368 HydrophobicContact CG-CD1 3.56Å; Y313-Y368 AromaticContact CG-CE1 3.77Å; Y313-Y368 HydrophobicContact CG-CE1 3.77Å; Y313-Y368 AromaticContact CZ-CD1 3.78Å; D366-Y368 PolarHBondContact OD1-N 3.35Å; D366-Y368 WeakPolarHBondContact OD2-CB 3.29Å; Y368-S370 VanDerWaalsContact C-N 3.32Å; Y368-S370 PolarHBondContact O-N 3.09Å; Y368-I371 PolarHBondContact O-N 3.14Å; Y368-D372 PolarHBondContact O-N 3.38Å; Y368-D372 VanDerWaalsContact O-N 3.1Å
369A92.6Very high91.5Very high36 Ų3647.5 Ų47.530%0.29825%0.245SC..Hα-helixtrans-58.1-43.5171.400000112.1D366 I371 D372 L373D366-A369 HydrophobicContact CB-CB 3.95Å; D366-A369 PolarHBondContact OD2-N 3.32Å; A369-I371 VanDerWaalsContact C-N 3.34Å; A369-I371 PolarHBondContact O-N 2.87Å; A369-D372 PolarHBondContact O-N 3.22Å; A369-L373 WeakPolarHBondContact O-CG 3.12Å; A369-L373 PolarHBondContact O-N 2.98Å
370S92.8Very high91.4Very high0 Ų047.7 Ų47.70%025%0.246CC..Hα-helixtrans-61.1-42.1177.6-55.60000112A345 V347 S364 D366 L367 Y368 D372 V374A345-S370 PolarHBondContact O-OG 3Å; V347-S370 VanDerWaalsContact CG2-CB 3.44Å; S364-S370 VanDerWaalsContact CB-OG 3.31Å; S364-S370 WeakPolarHBondContact CB-OG 3.33Å; S364-S370 PolarHBondContact N-OG 2.69Å; S364-S370 VanDerWaalsContact N-OG 3.12Å; D366-S370 PolarHBondContact O-N 3.22Å; D366-S370 PolarHBondContact O-OG 3.2Å; L367-S370 WeakPolarHBondContact O-CB 3.22Å; L367-S370 PolarHBondContact O-N 3.37Å; Y368-S370 VanDerWaalsContact C-N 3.32Å; Y368-S370 PolarHBondContact O-N 3.09Å; S370-D372 VanDerWaalsContact C-N 3.33Å; S370-D372 PolarHBondContact O-N 2.92Å; S370-V374 VanDerWaalsContact O-CG2 3.31Å; S370-V374 WeakPolarHBondContact O-CG2 3.15Å; S370-V374 PolarHBondContact O-N 2.99Å; S370-V374 VanDerWaalsContact O-N 3.1Å
371I92.3Very high91Very high4 Ų450.6 Ų50.62%0.02126%0.259CS..Hα-helixtrans-61-43.7176.2-66.9166.1000110.8Y313 V314 K317 L337 V347 L367 Y368 A369 V374 V375Y313-I371 HydrophobicContact CD1-CB 4.26Å; Y313-I371 HydrophobicContact CD1-CD1 3.74Å; Y313-I371 HydrophobicContact CD1-CG2 3.95Å; Y313-I371 HydrophobicContact CE1-CB 4.04Å; Y313-I371 HydrophobicContact CE1-CD1 4.27Å; Y313-I371 HydrophobicContact CE1-CG2 3.9Å; V314-I371 HydrophobicContact CG2-CD1 3.69Å; V314-I371 HydrophobicContact CG2-CG1 4.37Å; K317-I371 HydrophobicContact CB-CG2 3.99Å; K317-I371 HydrophobicContact CG-CG2 4.3Å; L337-I371 HydrophobicContact CD2-CG1 4.49Å; V347-I371 HydrophobicContact CG1-CG1 4.25Å; V347-I371 HydrophobicContact CG2-CG1 3.99Å; L367-I371 HydrophobicContact CG-CD1 4.37Å; L367-I371 WeakPolarHBondContact O-CG1 3.48Å; L367-I371 PolarHBondContact O-N 3.3Å; Y368-I371 PolarHBondContact O-N 3.14Å; A369-I371 VanDerWaalsContact C-N 3.34Å; A369-I371 PolarHBondContact O-N 2.87Å; I371-V374 PolarHBondContact O-N 3.49Å; I371-V375 WeakPolarHBondContact O-CG2 3.46Å; I371-V375 PolarHBondContact O-N 3.2Å; I371-V375 VanDerWaalsContact O-N 3.09Å
372D93.3Very high90.6Very high46 Ų4646.5 Ų46.525%0.24624%0.24CC..Hα-helixtrans-65.5-45.9-178.8-73.1-11.2000112.1Y313 K317 Y368 A369 S370 V374 V375 D376Y313-D372 VanDerWaalsContact OH-CG 3.31Å; Y313-D372 PolarHBondContact OH-OD1 2.76Å; Y313-D372 PolarHBondContact OH-OD2 2.98Å; K317-D372 VanDerWaalsContact CD-OD1 3.26Å; K317-D372 WeakPolarHBondContact CD-OD1 3.43Å; K317-D372 VanDerWaalsContact CE-OD1 3.27Å; K317-D372 WeakPolarHBondContact CE-OD1 3.42Å; K317-D372 IonicContact NZ-OD1 3.2Å; K317-D372 PolarHBondContact NZ-OD1 2.78Å; K317-D372 IonicContact NZ-OD2 2.74Å; K317-D372 PolarHBondContact NZ-OD2 3.18Å; Y368-D372 PolarHBondContact O-N 3.38Å; Y368-D372 VanDerWaalsContact O-N 3.1Å; A369-D372 PolarHBondContact O-N 3.22Å; S370-D372 VanDerWaalsContact C-N 3.33Å; S370-D372 PolarHBondContact O-N 2.92Å; D372-V374 VanDerWaalsContact C-N 3.29Å; D372-V374 PolarHBondContact O-N 3.32Å; D372-V375 PolarHBondContact O-N 2.95Å; D372-V375 VanDerWaalsContact O-N 3.14Å; D372-D376 PolarHBondContact O-N 2.06Å
373L93.8Very high90.1Very high74 Ų7449.3 Ų49.339%0.38725%0.248SC..Hα-helixtrans-61.7-37.9177.2-66.6176.4000112.4E362 S364 A369 K377E362-L373 HydrophobicContact CB-CB 3.99Å; E362-L373 HydrophobicContact CG-CB 3.83Å; S364-L373 WeakPolarHBondContact OG-CD1 3.42Å; A369-L373 WeakPolarHBondContact O-CG 3.12Å; A369-L373 PolarHBondContact O-N 2.98Å; L373-K377 WeakPolarHBondContact O-CB 3.29Å; L373-K377 PolarHBondContact O-N 3.18Å; L373-K377 VanDerWaalsContact O-N 3.08Å
374V93.2Very high89.6Confident1 Ų152.9 Ų52.91%0.00626%0.257CS..Hα-helixtrans-64.1-43.7175.21720000111.1V347 V349 A360 E362 S370 I371 D372 K377 L378V347-V374 HydrophobicContact CB-CG2 4.02Å; V347-V374 HydrophobicContact CG1-CB 4.49Å; V347-V374 HydrophobicContact CG1-CG2 4.02Å; V347-V374 WeakPolarHBondContact O-CG2 3.33Å; V349-V374 HydrophobicContact CB-CG1 3.67Å; V349-V374 HydrophobicContact CG2-CG1 3.5Å; V349-V374 VanDerWaalsContact CG2-CG1 3.5Å; A360-V374 HydrophobicContact CB-CG1 3.89Å; E362-V374 HydrophobicContact CB-CG2 3.67Å; E362-V374 HydrophobicContact CG-CG2 3.87Å; S370-V374 VanDerWaalsContact O-CG2 3.31Å; S370-V374 WeakPolarHBondContact O-CG2 3.15Å; S370-V374 PolarHBondContact O-N 2.99Å; S370-V374 VanDerWaalsContact O-N 3.1Å; I371-V374 PolarHBondContact O-N 3.49Å; D372-V374 VanDerWaalsContact C-N 3.29Å; D372-V374 PolarHBondContact O-N 3.32Å; V374-K377 PolarHBondContact O-N 2.98Å; V374-L378 HydrophobicContact CG1-CD1 3.96Å; V374-L378 HydrophobicContact CG1-CG 4.34Å; V374-L378 WeakPolarHBondContact O-CG 3.18Å; V374-L378 PolarHBondContact O-N 2.86Å
375V92.2Very high88.8Confident6 Ų654.5 Ų54.54%0.03626%0.262CS..Hα-helixtrans-62.8-44.1178.7170.60000111.2K317 V318 L321 I371 D372 K377 L378 E379K317-V375 HydrophobicContact CB-CG2 4.11Å; V318-V375 HydrophobicContact CG2-CG2 4.32Å; L321-V375 HydrophobicContact CD2-CG1 4.35Å; I371-V375 WeakPolarHBondContact O-CG2 3.46Å; I371-V375 PolarHBondContact O-N 3.2Å; I371-V375 VanDerWaalsContact O-N 3.09Å; D372-V375 PolarHBondContact O-N 2.95Å; D372-V375 VanDerWaalsContact O-N 3.14Å; V375-K377 VanDerWaalsContact C-N 3.27Å; V375-K377 PolarHBondContact O-N 3.49Å; V375-L378 PolarHBondContact O-N 2.95Å; V375-E379 WeakPolarHBondContact O-CB 3.37Å; V375-E379 PolarHBondContact O-N 3.3Å
376D92.5Very high87.9Confident88 Ų8851.9 Ų51.947%0.47124%0.239SC..Hα-helixtrans-61.3-37.2176.9-70.7-13.7000112.1D372 R380D372-D376 PolarHBondContact O-N 2.06Å; D376-R380 WeakPolarHBondContact O-CB 3.49Å; D376-R380 PolarHBondContact O-N 3.32Å
377K91.3Very high87.3Confident49 Ų4952.1 Ų52.121%0.21324%0.244CC..Hα-helixtrans-69.1-41.7176.3-174.9164.7173.1-1770112.5A360 E361 E362 L373 V374 V375 R380 Q381A360-K377 HydrophobicContact CB-CB 4.17Å; A360-K377 HydrophobicContact CB-CD 3.98Å; A360-K377 HydrophobicContact CB-CG 3.92Å; E361-K377 PolarHBondContact O-NZ 3.19Å; E362-K377 HydrophobicContact CG-CD 4.28Å; E362-K377 WeakPolarHBondContact OE1-CD 3.43Å; E362-K377 WeakPolarHBondContact OE1-CE 3.15Å; E362-K377 IonicContact OE1-NZ 3.88Å; E362-K377 PolarHBondContact OE1-NZ 3.25Å; L373-K377 WeakPolarHBondContact O-CB 3.29Å; L373-K377 PolarHBondContact O-N 3.18Å; L373-K377 VanDerWaalsContact O-N 3.08Å; V374-K377 PolarHBondContact O-N 2.98Å; V375-K377 VanDerWaalsContact C-N 3.27Å; V375-K377 PolarHBondContact O-N 3.49Å; K377-R380 PolarHBondContact O-N 3.21Å; K377-Q381 WeakPolarHBondContact O-CG 3.43Å; K377-Q381 PolarHBondContact O-N 2.86Å
378L90Very high86.4Confident0 Ų058 Ų580%027%0.269CS..Hα-helixtrans-64.6-42.9174.6-69.4170.9000111.2L321 V349 L358 A360 V374 V375 R380 Q381 I382L321-L378 HydrophobicContact CD1-CB 3.85Å; L321-L378 HydrophobicContact CD1-CD1 3.68Å; L321-L378 HydrophobicContact CD1-CG 4.41Å; L321-L378 HydrophobicContact CD2-CB 4.26Å; V349-L378 HydrophobicContact CB-CD1 3.97Å; V349-L378 HydrophobicContact CG1-CD1 3.65Å; L358-L378 HydrophobicContact CB-CD2 3.95Å; A360-L378 HydrophobicContact CB-CD2 3.7Å; A360-L378 HydrophobicContact CB-CG 3.79Å; V374-L378 HydrophobicContact CG1-CD1 3.96Å; V374-L378 HydrophobicContact CG1-CG 4.34Å; V374-L378 WeakPolarHBondContact O-CG 3.18Å; V374-L378 PolarHBondContact O-N 2.86Å; V375-L378 PolarHBondContact O-N 2.95Å; L378-R380 VanDerWaalsContact C-N 3.33Å; L378-R380 PolarHBondContact O-N 3.14Å; L378-Q381 WeakPolarHBondContact O-CB 3.28Å; L378-Q381 PolarHBondContact O-N 3.32Å; L378-Q381 VanDerWaalsContact O-N 3.13Å; L378-I382 WeakPolarHBondContact O-CG1 3.4Å; L378-I382 PolarHBondContact O-N 3.4Å
379E89.1Confident85.1Confident20 Ų2055.9 Ų55.99%0.09326%0.263CS..Hα-helixtrans-59-44.8175.1179.6161.1164.800111.4L321 R323 Y324 V375 Q381 I382 R383L321-E379 HydrophobicContact CD2-CB 4.22Å; R323-E379 IonicContact CZ-OE2 2.72Å; R323-E379 VanDerWaalsContact NH2-CD 3.27Å; R323-E379 IonicContact NH2-OE1 3.45Å; R323-E379 PolarHBondContact NH2-OE1 3.31Å; R323-E379 IonicContact NH2-OE2 3.99Å; R323-E379 PolarHBondContact NH2-OE2 3.24Å; Y324-E379 HydrophobicContact CE2-CG 3.79Å; Y324-E379 WeakPolarHBondContact OH-CG 3.34Å; Y324-E379 PolarHBondContact OH-OE1 3.16Å; V375-E379 WeakPolarHBondContact O-CB 3.37Å; V375-E379 PolarHBondContact O-N 3.3Å; E379-Q381 VanDerWaalsContact C-N 3.32Å; E379-Q381 PolarHBondContact O-N 2.84Å; E379-I382 PolarHBondContact O-N 3.22Å; E379-R383 WeakPolarHBondContact O-CG 3.49Å; E379-R383 PolarHBondContact O-N 2.86Å; E379-R383 IonicContact OE1-CZ 3.57Å; E379-R383 IonicContact OE1-NE 2.97Å; E379-R383 IonicContact OE1-NH2 2.75Å; E379-R383 PolarHBondContact OE1-NH2 3.4Å
380R88.1Confident83.7Confident149 Ų14957.7 Ų57.756%0.56227%0.268SS*.Hα-helixtrans-62.2-37.4174.9-169.9179.4-70.4112.6-4.6112.5D376 K377 L378 K384D376-R380 WeakPolarHBondContact O-CB 3.49Å; D376-R380 PolarHBondContact O-N 3.32Å; K377-R380 PolarHBondContact O-N 3.21Å; L378-R380 VanDerWaalsContact C-N 3.33Å; L378-R380 PolarHBondContact O-N 3.14Å; R380-K384 WeakPolarHBondContact O-CG 3.31Å; R380-K384 PolarHBondContact O-N 3.07Å
381Q85Confident82.3Confident64 Ų6461.8 Ų61.830%0.29928%0.283SS..Hα-helixtrans-64-45.2174.8-75.6179.1-10.700111.6L358 R359 K377 L378 E379 K384 F385L358-Q381 HydrophobicContact CD2-CB 4Å; R359-Q381 PolarHBondContact O-NE2 2.95Å; R359-Q381 PolarHBondContact O-OE1 3.01Å; K377-Q381 WeakPolarHBondContact O-CG 3.43Å; K377-Q381 PolarHBondContact O-N 2.86Å; L378-Q381 WeakPolarHBondContact O-CB 3.28Å; L378-Q381 PolarHBondContact O-N 3.32Å; L378-Q381 VanDerWaalsContact O-N 3.13Å; E379-Q381 VanDerWaalsContact C-N 3.32Å; E379-Q381 PolarHBondContact O-N 2.84Å; Q381-K384 PolarHBondContact O-N 2.81Å; Q381-F385 WeakPolarHBondContact O-CB 3.38Å; Q381-F385 PolarHBondContact O-N 3.25Å
382I84.7Confident80.7Confident4 Ų468.2 Ų68.22%0.02131%0.311CS..Hα-helixtrans-60.7-46.6177.2-66.3167.1000110.7L321 Y324 F325 L358 L378 E379 K384 F385 K386 L406L321-I382 HydrophobicContact CD2-CD1 4Å; Y324-I382 HydrophobicContact CD1-CG2 3.98Å; Y324-I382 HydrophobicContact CD2-CD1 4.11Å; Y324-I382 HydrophobicContact CD2-CG2 4.43Å; Y324-I382 HydrophobicContact CG-CD1 4.38Å; Y324-I382 HydrophobicContact CG-CG2 3.81Å; F325-I382 HydrophobicContact CE2-CD1 3.92Å; F325-I382 HydrophobicContact CZ-CD1 3.77Å; F325-I382 HydrophobicContact CZ-CG1 4.25Å; L358-I382 HydrophobicContact CD1-CD1 3.91Å; L358-I382 HydrophobicContact CD1-CG1 3.69Å; L358-I382 HydrophobicContact CD2-CG1 4.12Å; L378-I382 WeakPolarHBondContact O-CG1 3.4Å; L378-I382 PolarHBondContact O-N 3.4Å; E379-I382 PolarHBondContact O-N 3.22Å; I382-K384 PolarHBondContact O-N 3.24Å; I382-F385 PolarHBondContact O-N 2.89Å; I382-K386 PolarHBondContact O-N 2.74Å; I382-L406 HydrophobicContact CG2-CD2 4.05Å
383R83.7Confident78.9Confident115 Ų11567.5 Ų67.543%0.43431%0.311SS..Hα-helixtrans-57.6-49.9176.7-70-177.2-170.1-159.95.5111.7E379 F385 K386 T387E379-R383 WeakPolarHBondContact O-CG 3.49Å; E379-R383 PolarHBondContact O-N 2.86Å; E379-R383 IonicContact OE1-CZ 3.57Å; E379-R383 IonicContact OE1-NE 2.97Å; E379-R383 IonicContact OE1-NH2 2.75Å; E379-R383 PolarHBondContact OE1-NH2 3.4Å; R383-F385 VanDerWaalsContact C-N 3.29Å; R383-F385 PolarHBondContact O-N 3.46Å; R383-K386 WeakPolarHBondContact O-CB 3.19Å; R383-K386 PolarHBondContact O-N 2.9Å; R383-T387 PolarHBondContact O-N 3.08Å; R383-T387 PolarHBondContact O-OG1 3.42Å; R383-T387 VanDerWaalsContact O-OG1 3.06Å
384K81.5Confident77.2Confident146 Ų14674 Ų7464%0.63533%0.331SS*.Hα-helixtrans-58.9-39.4177.9-75.5-177.7178.8-170.30112.8R380 Q381 I382 K388R380-K384 WeakPolarHBondContact O-CG 3.31Å; R380-K384 PolarHBondContact O-N 3.07Å; Q381-K384 PolarHBondContact O-N 2.81Å; I382-K384 PolarHBondContact O-N 3.24Å; K384-K388 WeakPolarHBondContact O-CB 3.22Å; K384-K388 PolarHBondContact O-N 3.3Å
385F73.6Confident75.6Confident51 Ų5180.5 Ų80.522%0.22436%0.361CS..Hα-helixtrans-67.9-43.4179-173.9-107000111.9L356 Q381 I382 R383 T387 K388 I389 L406L356-F385 HydrophobicContact CB-CZ 4.29Å; L356-F385 HydrophobicContact CD1-CD2 4.09Å; L356-F385 HydrophobicContact CD1-CE2 4.16Å; L356-F385 HydrophobicContact CD2-CB 4.16Å; L356-F385 HydrophobicContact CD2-CD1 3.77Å; L356-F385 HydrophobicContact CD2-CD2 4.05Å; L356-F385 HydrophobicContact CD2-CE1 4.06Å; L356-F385 HydrophobicContact CD2-CE2 4.36Å; L356-F385 HydrophobicContact CD2-CG 3.74Å; L356-F385 HydrophobicContact CD2-CZ 4.35Å; Q381-F385 WeakPolarHBondContact O-CB 3.38Å; Q381-F385 PolarHBondContact O-N 3.25Å; I382-F385 PolarHBondContact O-N 2.89Å; R383-F385 VanDerWaalsContact C-N 3.29Å; R383-F385 PolarHBondContact O-N 3.46Å; F385-T387 VanDerWaalsContact C-N 3.34Å; F385-T387 PolarHBondContact O-N 3.06Å; F385-K388 WeakPolarHBondContact O-CB 3.19Å; F385-K388 PolarHBondContact O-N 3.15Å; F385-K388 VanDerWaalsContact O-N 3.12Å; F385-I389 HydrophobicContact CD1-CD1 3.64Å; F385-I389 HydrophobicContact CD1-CG1 4.43Å; F385-I389 HydrophobicContact CE1-CD1 3.13Å; F385-I389 HydrophobicContact CE1-CG1 4.14Å; F385-I389 HydrophobicContact CE2-CD1 4.27Å; F385-I389 HydrophobicContact CG-CD1 4.42Å; F385-I389 HydrophobicContact CZ-CD1 3.49Å; F385-I389 VanDerWaalsContact CZ-CD1 3.49Å; F385-I389 HydrophobicContact CZ-CG1 4.17Å; F385-I389 PolarHBondContact O-N 3.43Å; F385-L406 HydrophobicContact CD1-CD1 3.9Å; F385-L406 HydrophobicContact CE1-CD1 4.01Å
386K69.6Low73.8Confident57 Ų5784.1 Ų84.125%0.24838%0.383CS..Hα-helixtrans-56.8-46.6174.2-171.2-177-179.8-172.60111.5I382 R383 K388 I389 N390 A409I382-K386 PolarHBondContact O-N 2.74Å; R383-K386 WeakPolarHBondContact O-CB 3.19Å; R383-K386 PolarHBondContact O-N 2.9Å; K386-K388 VanDerWaalsContact C-N 3.33Å; K386-K388 PolarHBondContact O-N 3.03Å; K386-I389 PolarHBondContact O-N 3.08Å; K386-N390 WeakPolarHBondContact O-CB 3.34Å; K386-N390 PolarHBondContact O-N 3.44Å; K386-A409 PolarHBondContact NZ-O 3.5Å
387T74Confident71.4Confident82 Ų8283.3 Ų83.350%0.50340%0.396SS..Hα-helixtrans-60.8-41.4175.9-47.90000111.7R383 F385 R391R383-T387 PolarHBondContact O-N 3.08Å; R383-T387 PolarHBondContact O-OG1 3.42Å; R383-T387 VanDerWaalsContact O-OG1 3.06Å; F385-T387 VanDerWaalsContact C-N 3.34Å; F385-T387 PolarHBondContact O-N 3.06Å; T387-R391 WeakPolarHBondContact O-CB 3.18Å; T387-R391 PolarHBondContact O-N 3.07Å
388K70.5Confident68.9Low139 Ų13986.6 Ų86.660%0.60441%0.413SS*.Hα-helixtrans-65.9-40.9-179.6-164.4177.9-171.5-179.60112.6K384 F385 K386 K392K384-K388 WeakPolarHBondContact O-CB 3.22Å; K384-K388 PolarHBondContact O-N 3.3Å; F385-K388 WeakPolarHBondContact O-CB 3.19Å; F385-K388 PolarHBondContact O-N 3.15Å; F385-K388 VanDerWaalsContact O-N 3.12Å; K386-K388 VanDerWaalsContact C-N 3.33Å; K386-K388 PolarHBondContact O-N 3.03Å; K388-K392 PolarHBondContact O-N 3.12Å
389I63.4Low66.8Low42 Ų4291.4 Ų91.422%0.21545%0.445CS..Hα-helixtrans-68.4-47.3177.1-66.9171.7000110.8F385 K386 R391 K392 A393 V403F385-I389 HydrophobicContact CD1-CD1 3.64Å; F385-I389 HydrophobicContact CD1-CG1 4.43Å; F385-I389 HydrophobicContact CE1-CD1 3.13Å; F385-I389 HydrophobicContact CE1-CG1 4.14Å; F385-I389 HydrophobicContact CE2-CD1 4.27Å; F385-I389 HydrophobicContact CG-CD1 4.42Å; F385-I389 HydrophobicContact CZ-CD1 3.49Å; F385-I389 VanDerWaalsContact CZ-CD1 3.49Å; F385-I389 HydrophobicContact CZ-CG1 4.17Å; F385-I389 PolarHBondContact O-N 3.43Å; K386-I389 PolarHBondContact O-N 3.08Å; I389-R391 PolarHBondContact O-N 3.21Å; I389-K392 PolarHBondContact O-N 2.84Å; I389-A393 PolarHBondContact O-N 2.81Å; I389-V403 HydrophobicContact CB-CG1 4.41Å; I389-V403 HydrophobicContact CG2-CB 4.01Å; I389-V403 HydrophobicContact CG2-CG1 3.33Å; I389-V403 HydrophobicContact CG2-CG2 3.4Å; I389-V403 VanDerWaalsContact CG2-CG2 3.4Å
390N62.3Low64.7Low75 Ų7598 Ų9840%0.40148%0.475SS..Hα-helixtrans-58.4-35.9179.4-73.8-5.9000111.9K386 R394K386-N390 WeakPolarHBondContact O-CB 3.34Å; K386-N390 PolarHBondContact O-N 3.44Å; N390-R394 WeakPolarHBondContact O-CG 3.49Å; N390-R394 PolarHBondContact O-N 2.89Å
391R63.9Low62.5Low86 Ų86100.8 Ų100.833%0.32549%0.486SS..Hα-helixtrans-65.7-46.1173.9-169.9175.872.1-173.78.2112.4T387 I389 A393 R394 E395 L417T387-R391 WeakPolarHBondContact O-CB 3.18Å; T387-R391 PolarHBondContact O-N 3.07Å; I389-R391 PolarHBondContact O-N 3.21Å; R391-A393 PolarHBondContact O-N 3.47Å; R391-R394 PolarHBondContact O-N 2.6Å; R391-E395 WeakPolarHBondContact CD-OE1 3.29Å; R391-E395 HydrophobicContact CG-CG 4.44Å; R391-E395 VanDerWaalsContact CG-OE1 3.27Å; R391-E395 WeakPolarHBondContact CG-OE1 3.47Å; R391-E395 IonicContact NE-OE1 3.96Å; R391-E395 WeakPolarHBondContact O-CG 3.48Å; R391-E395 PolarHBondContact O-N 3.01Å; R391-L417 PolarHBondContact NH1-O 2.87Å; R391-L417 VanDerWaalsContact NH1-O 3.1Å
392K58Low60.3Low139 Ų139105.7 Ų105.760%0.60451%0.509SS*.Hα-helixtrans-67-36.4-178-160.8177.3-177.8-171.50112.6K388 I389 R394 E395 T396K388-K392 PolarHBondContact O-N 3.12Å; I389-K392 PolarHBondContact O-N 2.84Å; K392-R394 VanDerWaalsContact C-N 3.32Å; K392-R394 PolarHBondContact O-N 2.87Å; K392-E395 PolarHBondContact O-N 2.88Å; K392-T396 PolarHBondContact O-N 2.69Å; K392-T396 VanDerWaalsContact O-N 3.09Å; K392-T396 PolarHBondContact O-OG1 3.45Å; K392-T396 VanDerWaalsContact O-OG1 3.11Å
393A55.8Low58.4Low31 Ų31107.8 Ų107.826%0.25652%0.522SS..Hα-helixtrans-61.8-40.1173.300000111.8I389 R391I389-A393 PolarHBondContact O-N 2.81Å; R391-A393 PolarHBondContact O-N 3.47Å
394R58.2Low56.4Low211 Ų211108.7 Ų108.780%0.79653%0.531SS*.Hα-helixtrans-70.5-36.6176.6-71.5177.6-179.3-1801.3113.5N390 R391 K392N390-R394 WeakPolarHBondContact O-CG 3.49Å; N390-R394 PolarHBondContact O-N 2.89Å; R391-R394 PolarHBondContact O-N 2.6Å; K392-R394 VanDerWaalsContact C-N 3.32Å; K392-R394 PolarHBondContact O-N 2.87Å
395E60.4Low54.5Low136 Ų136103.8 Ų103.864%0.63651%0.513SS*.Hα-helixtrans-81.3-32.5-175.9-73.1170.4-179.400114.1R391 K392R391-E395 WeakPolarHBondContact CD-OE1 3.29Å; R391-E395 HydrophobicContact CG-CG 4.44Å; R391-E395 VanDerWaalsContact CG-OE1 3.27Å; R391-E395 WeakPolarHBondContact CG-OE1 3.47Å; R391-E395 IonicContact NE-OE1 3.96Å; R391-E395 WeakPolarHBondContact O-CG 3.48Å; R391-E395 PolarHBondContact O-N 3.01Å; K392-E395 PolarHBondContact O-N 2.88Å
396T53.2Low53Low82 Ų82102.6 Ų102.650%0.50351%0.509SS..Hα-helixtrans-107.8-1-168.6-33.80000114.1K392 M398K392-T396 PolarHBondContact O-N 2.69Å; K392-T396 VanDerWaalsContact O-N 3.09Å; K392-T396 PolarHBondContact O-OG1 3.45Å; K392-T396 VanDerWaalsContact O-OG1 3.11Å; T396-M398 PolarHBondContact O-N 2.77Å
397G42.6Very low51.5Low72 Ų72103.5 Ų103.574%0.74252%0.519SS*.  trans601618000000114.7
398M39.7Very low49.7Very low118 Ų118105.3 Ų105.358%0.58153%0.526SS*.  trans-73.8136.9179.1-99.2170.9109.700110.2T396 E400T396-M398 PolarHBondContact O-N 2.77Å; M398-E400 PolarHBondContact O-N 2.9Å
399P46Very low48.2Very low101 Ų101100.9 Ų100.966%0.65652%0.515SS*.  trans-61.8134.4179.124.2-32.2000111R401P399-R401 PolarHBondContact O-N 3.48Å
400E43.7Very low46.7Very low158 Ų158107.7 Ų107.774%0.73855%0.546SS*.G310 helixtrans-56.30.9-174.2-64.5171.9145.500116.1M398 E402 V403M398-E400 PolarHBondContact O-N 2.9Å; E400-E402 PolarHBondContact O-N 3.49Å; E400-V403 WeakPolarHBondContact O-CB 3.48Å; E400-V403 PolarHBondContact O-N 2.66Å
401R43.1Very low45.5Very low207 Ų207110.4 Ų110.478%0.78156%0.56SS**G310 helixtrans-77.7-8-164.1-75-178.1173.8137.70.3116.3P399P399-R401 PolarHBondContact O-N 3.48Å
402E38.9Very low44Very low167 Ų167110.9 Ų110.978%0.7858%0.577SS**G310 helixtrans-99.16170.9-73.4-176.2161.100113E400E400-E402 PolarHBondContact O-N 3.49Å
403V43.8Very low43.1Very low49 Ų49113.4 Ų113.430%0.29759%0.591SS.*  trans-107.53.1-172-177.90000113.4I389 E400 V405I389-V403 HydrophobicContact CB-CG1 4.41Å; I389-V403 HydrophobicContact CG2-CB 4.01Å; I389-V403 HydrophobicContact CG2-CG1 3.33Å; I389-V403 HydrophobicContact CG2-CG2 3.4Å; I389-V403 VanDerWaalsContact CG2-CG2 3.4Å; E400-V403 WeakPolarHBondContact O-CB 3.48Å; E400-V403 PolarHBondContact O-N 2.66Å; V403-V405 PolarHBondContact O-N 3.27Å
404E41.9Very low42.1Very low134 Ų134119.9 Ų119.963%0.62662%0.616SS**THydrogen-bonded Turntrans-70.32.6-167.2-80.7-178.4161.800116.9
405V42.4Very low41.4Very low43 Ų43114.9 Ų114.926%0.26161%0.613SS.*THydrogen-bonded Turntrans-92.6-5.4-170.2-176.40000114.6F325 T326 V328 V403F325-V405 WeakPolarHBondContact CA-O 3.35Å; T326-V405 PolarHBondContact N-O 3.35Å; T326-V405 VanDerWaalsContact N-O 3.14Å; V328-V405 HydrophobicContact CB-CG1 4.26Å; V328-V405 HydrophobicContact CG2-CG1 3.3Å; V403-V405 PolarHBondContact O-N 3.27Å
406L41.1Very low40.4Very low25 Ų25116.7 Ų116.713%0.13162%0.622CS.*  trans-144.275.2-169-81.4161.3000114.7Y324 F325 I382 F385Y324-L406 CarbonylContact O-C 3.58Å; Y324-L406 VanDerWaalsContact O-CA 3.26Å; Y324-L406 WeakPolarHBondContact O-CA 3.37Å; Y324-L406 WeakPolarHBondContact O-CD2 3.45Å; F325-L406 HydrophobicContact CD1-CD2 3.18Å; F325-L406 HydrophobicContact CD1-CG 3.9Å; F325-L406 HydrophobicContact CE1-CD1 4.4Å; F325-L406 HydrophobicContact CE1-CD2 3.25Å; F325-L406 HydrophobicContact CE1-CG 4.08Å; F325-L406 HydrophobicContact CG-CD2 4.02Å; F325-L406 HydrophobicContact CZ-CD2 4.11Å; I382-L406 HydrophobicContact CG2-CD2 4.05Å; F385-L406 HydrophobicContact CD1-CD1 3.9Å; F385-L406 HydrophobicContact CE1-CD1 4.01Å
407V38.6Very low40.2Very low76 Ų76119.3 Ų119.346%0.46163%0.632SS.*  trans-144.6106.7168.4-161.90000112.4T326T326-V407 PolarHBondContact OG1-N 2.91Å; T326-V407 VanDerWaalsContact OG1-N 3.15Å; T326-V407 PolarHBondContact OG1-O 2.85Å
408N36.2Very low40.6Very low120 Ų120123.3 Ų123.364%0.64263%0.631SS**  trans-174102.8132.1-89.7-20.9000111.3
409A38.5Very low41.5Very low46 Ų46124 Ų12438%0.3864%0.636SS.*  trans-178.7113.6151.200000107.4Y324 K386Y324-A409 HydrophobicContact CE1-CB 3.96Å; K386-A409 PolarHBondContact NZ-O 3.5Å
410E32.1Very low42.5Very low185 Ų185125.3 Ų125.386%0.86464%0.642SS**  trans-70.3122.7161.8-63.9169.3156.600106.7
411D37.7Very low43.3Very low132 Ų132127.9 Ų127.971%0.70665%0.645SS**  trans174.5101.4151.2-88.7-20.9000111
412S31.1Very low44.9Very low96 Ų96123.8 Ų123.867%0.67164%0.643SS**  56.7132.4127.763.40000123.2
413E39.8Very low46.5Very low193 Ų193121.2 Ų121.290%0.90263%0.629SS**  trans8892.7159.5-62.4-176.9-172.900118.1
414E35.2Very low48Very low166 Ų166130.5 Ų130.578%0.77666%0.659SS**  trans-80.3118.1173.8-69.7178.815000111.1
415S43Very low49.4Very low106 Ų106128.4 Ų128.474%0.74165%0.652SS**  trans-100.2109155.563.70000107.9L417S415-L417 PolarHBondContact O-N 3.37Å
416E40Very low51.1Low175 Ų175131.2 Ų131.282%0.81867%0.673SS**  trans-60.2120178.8-66.8-178.7156.400110.8E418E416-E418 PolarHBondContact O-N 2.88Å; E416-E418 VanDerWaalsContact O-N 3.16Å
417L48.9Very low53.2Low136 Ų136132.9 Ų132.971%0.71268%0.682SS**  trans-82.285.4170.5-73.7166.4000108.8R391 S415R391-L417 PolarHBondContact NH1-O 2.87Å; R391-L417 VanDerWaalsContact NH1-O 3.1Å; S415-L417 PolarHBondContact O-N 3.37Å
418E50.8Low55.3Low157 Ų157135.6 Ų135.673%0.73469%0.687SS**  trans-74.6123.5173.4-167.1179.4-177.100110.5E416 V420E416-E418 PolarHBondContact O-N 2.88Å; E416-E418 VanDerWaalsContact O-N 3.16Å; E418-V420 PolarHBondContact O-N 3.33Å; E418-V420 VanDerWaalsContact O-N 3.1Å
419I58.6Low57.9Low133 Ų133133.9 Ų133.968%0.68268%0.682SS**  trans-79.393.2169.9-61.1172.6000107.1R421I419-R421 PolarHBondContact O-N 2.92Å
420V68Low60.4Low128 Ų128132 Ų13278%0.77667%0.666SS**  trans-65.4-26.9-175.7-178.30000112.6E418E418-V420 PolarHBondContact O-N 3.33Å; E418-V420 VanDerWaalsContact O-N 3.1Å
421R60.2Low63.2Low212 Ų212124.8 Ų124.880%0.864%0.641SS**  trans-156.4134.5-172.8-165.7171.6178.7161.90.4113.9I419I419-R421 PolarHBondContact O-N 2.92Å
422T75.8Confident65.7Low121 Ų121121.1 Ų121.174%0.74263%0.626SS**  trans-105.1124.1168.7-58.50000109.3
423K71.7Confident68.6Low113 Ų113124.1 Ų124.149%0.49163%0.629SS.*  trans-114.7122177-169.4178.3177.7-172.90109.4L425K423-L425 HydrophobicContact CB-CD1 4.43Å; K423-L425 HydrophobicContact CD-CD1 3.92Å; K423-L425 HydrophobicContact CD-CD2 4.35Å; K423-L425 HydrophobicContact CD-CG 4.17Å; K423-L425 HydrophobicContact CG-CD1 3.97Å; K423-L425 HydrophobicContact CG-CG 4.09Å
424R75.8Confident71Confident243 Ų243119.5 Ų119.592%0.91761%0.608SS**  trans-91125.5170-64.6-177.5-178.9-1790.1108.1
425L71.2Confident73.7Confident91 Ų91111.6 Ų111.648%0.47657%0.571SS.*  trans-123134-179.8-72.5129.4000108.8K423K423-L425 HydrophobicContact CB-CD1 4.43Å; K423-L425 HydrophobicContact CD-CD1 3.92Å; K423-L425 HydrophobicContact CD-CD2 4.35Å; K423-L425 HydrophobicContact CD-CG 4.17Å; K423-L425 HydrophobicContact CG-CD1 3.97Å; K423-L425 HydrophobicContact CG-CG 4.09Å
426S79.1Confident76Confident101 Ų101107.6 Ų107.671%0.70654%0.542SS*.  trans-79.4120.2163.253.20000108.1
427L84.9Confident78.3Confident60 Ų60104.2 Ų104.231%0.31453%0.529SS..  trans-65.8136.4175.2-57.3-179.1000108.9I448 E450 T457L427-I448 HydrophobicContact CD2-CB 4.27Å; L427-I448 HydrophobicContact CD2-CD1 4.27Å; L427-I448 HydrophobicContact CD2-CG1 3.79Å; L427-I448 HydrophobicContact CD2-CG2 3.84Å; L427-E450 HydrophobicContact CB-CB 4.08Å; L427-T457 HydrophobicContact CD1-CG2 3.99Å
428K83.4Confident80.1Confident134 Ų134100.4 Ų100.458%0.58351%0.508SS*.  trans-111.4136173.6-66.7-176179.1-176.90107.6M430 E450K428-M430 HydrophobicContact CB-CE 3.81Å; K428-M430 WeakPolarHBondContact O-CE 3.32Å; K428-M430 PolarHBondContact O-N 3.03Å; K428-E450 PolarHBondContact O-N 3.49Å
429P89.2Confident82Confident83 Ų8393 Ų9354%0.53947%0.473SS..EExtended strand (participates in β ladder)trans-64.4124.5174.125.7-32.4000109.4E450P429-E450 CarbonylContact C-O 3.58Å; P429-E450 VanDerWaalsContact CA-O 3.25Å; P429-E450 WeakPolarHBondContact CA-O 3.34Å
430M91Very high83.4Confident7 Ų789.4 Ų89.43%0.03446%0.455CS..EExtended strand (participates in β ladder)trans-155.4165.8176.865.7-172.775.900111.1K428 E434 A435 F447 F449 E450 A452K428-M430 HydrophobicContact CB-CE 3.81Å; K428-M430 WeakPolarHBondContact O-CE 3.32Å; K428-M430 PolarHBondContact O-N 3.03Å; M430-E434 HydrophobicContact CB-CB 4.2Å; M430-E434 HydrophobicContact CB-CG 4.21Å; M430-E434 WeakPolarHBondContact CB-OE2 3.24Å; M430-E434 HydrophobicContact SD-CG 4.34Å; M430-A435 HydrophobicContact CG-CB 4.29Å; M430-A435 HydrophobicContact SD-CB 4.03Å; M430-F447 HydrophobicContact CE-CE1 4.06Å; M430-F447 HydrophobicContact CE-CZ 4.44Å; M430-F447 HydrophobicContact SD-CE1 3.78Å; M430-F449 HydrophobicContact CE-CB 4.23Å; M430-F449 HydrophobicContact CG-CB 3.78Å; M430-F449 HydrophobicContact CG-CD2 3.52Å; M430-F449 HydrophobicContact CG-CE2 4.41Å; M430-F449 HydrophobicContact CG-CG 3.91Å; M430-F449 WeakPolarHBondContact O-CD2 3.08Å; M430-F449 WeakPolarHBondContact O-CE2 3.39Å; M430-F449 HydrophobicContact SD-CB 3.97Å; M430-F449 HydrophobicContact SD-CG 4.45Å; M430-E450 PolarHBondContact N-O 3.06Å; M430-A452 PolarHBondContact O-N 2.99Å
431G90.7Very high84.2Confident34 Ų3490.8 Ų90.835%0.35146%0.455SS..  trans-78.2160.8172.600000112.7E433 E434 A435G431-E433 VanDerWaalsContact C-N 3.31Å; G431-E433 PolarHBondContact O-N 3.12Å; G431-E434 PolarHBondContact O-N 3.36Å; G431-A435 PolarHBondContact O-N 3.3Å
432S91.4Very high85.4Confident54 Ų5484.9 Ų84.938%0.37844%0.439SS..Hα-helixtrans-60-36.5178.858.70000113.5A435 V436S432-A435 PolarHBondContact O-N 3.06Å; S432-V436 WeakPolarHBondContact O-CG2 3.32Å; S432-V436 PolarHBondContact O-N 3.43Å
433E91.4Very high85.7Confident159 Ų15981.8 Ų81.874%0.74343%0.431SS*.Hα-helixtrans-66-42.2175.6-63.1-173.5170.900112.1G431 A435 V436 L437G431-E433 VanDerWaalsContact C-N 3.31Å; G431-E433 PolarHBondContact O-N 3.12Å; E433-A435 VanDerWaalsContact C-N 3.34Å; E433-V436 PolarHBondContact O-N 3.41Å; E433-L437 PolarHBondContact O-N 2.83Å
434E90.4Very high86.4Confident97 Ų9780.1 Ų80.145%0.45343%0.425SS..Hα-helixtrans-64.2-41.5175.8-171.6-178.2167.200110.8M430 G431 V436 L437 Q438M430-E434 HydrophobicContact CB-CB 4.2Å; M430-E434 HydrophobicContact CB-CG 4.21Å; M430-E434 WeakPolarHBondContact CB-OE2 3.24Å; M430-E434 HydrophobicContact SD-CG 4.34Å; G431-E434 PolarHBondContact O-N 3.36Å; E434-V436 VanDerWaalsContact C-N 3.31Å; E434-V436 PolarHBondContact O-N 3.01Å; E434-L437 WeakPolarHBondContact O-CB 3.48Å; E434-L437 PolarHBondContact O-N 3.34Å; E434-L437 VanDerWaalsContact O-N 3.16Å; E434-Q438 WeakPolarHBondContact O-CG 3.35Å; E434-Q438 PolarHBondContact O-N 2.89Å; E434-Q438 PolarHBondContact OE1-NE2 2.94Å
435A91.6Very high87Confident0 Ų073.7 Ų73.70%041%0.408CS..Hα-helixtrans-59.9-40.1174.900000112.2M430 G431 S432 E433 Q438 M439 F447 F449 V460M430-A435 HydrophobicContact CG-CB 4.29Å; M430-A435 HydrophobicContact SD-CB 4.03Å; G431-A435 PolarHBondContact O-N 3.3Å; S432-A435 PolarHBondContact O-N 3.06Å; E433-A435 VanDerWaalsContact C-N 3.34Å; A435-Q438 PolarHBondContact O-N 3.3Å; A435-M439 VanDerWaalsContact O-CB 3.28Å; A435-M439 WeakPolarHBondContact O-CB 3.22Å; A435-M439 PolarHBondContact O-N 2.91Å; A435-F447 HydrophobicContact CB-CD1 4.01Å; A435-F447 HydrophobicContact CB-CE1 4.47Å; A435-F449 HydrophobicContact CB-CB 4.39Å; A435-F449 HydrophobicContact CB-CD1 3.44Å; A435-F449 VanDerWaalsContact CB-CD1 3.44Å; A435-F449 HydrophobicContact CB-CD2 4.05Å; A435-F449 HydrophobicContact CB-CE1 3.62Å; A435-F449 HydrophobicContact CB-CE2 4.19Å; A435-F449 HydrophobicContact CB-CG 3.69Å; A435-F449 HydrophobicContact CB-CZ 3.99Å; A435-V460 HydrophobicContact CB-CG1 4.27Å; A435-V460 HydrophobicContact CB-CG2 3.83Å
436V91.8Very high88Confident22 Ų2275.6 Ų75.613%0.13341%0.413CS..Hα-helixtrans-64.9-41.5174.7169.80000111.5S432 E433 E434 M439 N440 V460 Y468S432-V436 WeakPolarHBondContact O-CG2 3.32Å; S432-V436 PolarHBondContact O-N 3.43Å; E433-V436 PolarHBondContact O-N 3.41Å; E434-V436 VanDerWaalsContact C-N 3.31Å; E434-V436 PolarHBondContact O-N 3.01Å; V436-M439 WeakPolarHBondContact O-CB 3.44Å; V436-M439 PolarHBondContact O-N 2.8Å; V436-N440 WeakPolarHBondContact O-CB 3.25Å; V436-N440 PolarHBondContact O-N 3.36Å; V436-N440 PolarHBondContact O-ND2 3.36Å; V436-V460 HydrophobicContact CG2-CB 4.15Å; V436-V460 HydrophobicContact CG2-CG1 4Å; V436-V460 HydrophobicContact CG2-CG2 4.37Å; V436-Y468 HydrophobicContact CG1-CD1 3.76Å; V436-Y468 HydrophobicContact CG1-CD2 3.87Å; V436-Y468 HydrophobicContact CG1-CE1 3.59Å; V436-Y468 HydrophobicContact CG1-CE2 3.71Å; V436-Y468 HydrophobicContact CG1-CG 3.9Å; V436-Y468 HydrophobicContact CG2-CD1 4.13Å; V436-Y468 HydrophobicContact CG2-CD2 4.46Å; V436-Y468 HydrophobicContact CG2-CG 3.97Å
437L89.1Confident88.5Confident104 Ų10471.9 Ų71.955%0.54538%0.384SS..Hα-helixtrans-61.5-48.1175.7-74.1166.7000111.2E433 E434 M439 N440 M441E433-L437 PolarHBondContact O-N 2.83Å; E434-L437 WeakPolarHBondContact O-CB 3.48Å; E434-L437 PolarHBondContact O-N 3.34Å; E434-L437 VanDerWaalsContact O-N 3.16Å; L437-M439 PolarHBondContact O-N 3.13Å; L437-N440 PolarHBondContact O-N 3.44Å; L437-M441 WeakPolarHBondContact O-CG 3.4Å; L437-M441 PolarHBondContact O-N 3.16Å
438Q86Confident88.8Confident56 Ų5671.9 Ų71.926%0.26238%0.384SS..Hα-helixtrans-63.3-41.1177.4-68.2-166.923.200112E434 A435 N440 M441 L442 F447E434-Q438 WeakPolarHBondContact O-CG 3.35Å; E434-Q438 PolarHBondContact O-N 2.89Å; E434-Q438 PolarHBondContact OE1-NE2 2.94Å; A435-Q438 PolarHBondContact O-N 3.3Å; Q438-N440 VanDerWaalsContact C-N 3.31Å; Q438-N440 PolarHBondContact O-N 3.37Å; Q438-M441 PolarHBondContact O-N 2.99Å; Q438-L442 WeakPolarHBondContact O-CB 3.36Å; Q438-L442 WeakPolarHBondContact O-CG 3.31Å; Q438-L442 PolarHBondContact O-N 3.19Å; Q438-F447 HydrophobicContact CB-CE1 4.1Å; Q438-F447 HydrophobicContact CB-CE2 4.09Å; Q438-F447 HydrophobicContact CB-CZ 3.84Å
439M90.2Very high89.2Confident0 Ų065.5 Ų65.50%036%0.356CS..Hα-helixtrans-55.6-47.3174.4-173.7-173.367.100111.6A435 V436 L437 L442 G443 H444 F447 V460 R462 Y468A435-M439 VanDerWaalsContact O-CB 3.28Å; A435-M439 WeakPolarHBondContact O-CB 3.22Å; A435-M439 PolarHBondContact O-N 2.91Å; V436-M439 WeakPolarHBondContact O-CB 3.44Å; V436-M439 PolarHBondContact O-N 2.8Å; L437-M439 PolarHBondContact O-N 3.13Å; M439-L442 PolarHBondContact O-N 3.11Å; M439-G443 PolarHBondContact O-N 3.15Å; M439-H444 HydrophobicContact CG-CB 4.48Å; M439-H444 VanDerWaalsContact CG-O 3.25Å; M439-H444 WeakPolarHBondContact CG-O 3.28Å; M439-H444 PolarHBondContact O-N 2.87Å; M439-H444 VanDerWaalsContact O-N 3.09Å; M439-F447 HydrophobicContact CB-CB 3.58Å; M439-F447 HydrophobicContact CB-CG 4.24Å; M439-F447 HydrophobicContact CG-CB 3.83Å; M439-V460 HydrophobicContact SD-CG2 4.26Å; M439-R462 HydrophobicContact CE-CB 4.36Å; M439-Y468 HydrophobicContact CE-CD1 3.52Å; M439-Y468 HydrophobicContact CE-CE1 3.4Å
440N87.9Confident89.3Confident58 Ų5864.5 Ų64.531%0.3135%0.345SS..Hα-helixtrans-69.1-40.3-179.1-73.5-23.8000112.1V436 L437 Q438 L442 G443 R462 Y468V436-N440 WeakPolarHBondContact O-CB 3.25Å; V436-N440 PolarHBondContact O-N 3.36Å; V436-N440 PolarHBondContact O-ND2 3.36Å; L437-N440 PolarHBondContact O-N 3.44Å; Q438-N440 VanDerWaalsContact C-N 3.31Å; Q438-N440 PolarHBondContact O-N 3.37Å; N440-L442 VanDerWaalsContact C-N 3.32Å; N440-L442 PolarHBondContact O-N 3.34Å; N440-G443 PolarHBondContact O-N 3.41Å; N440-G443 VanDerWaalsContact O-N 3.16Å; N440-R462 PolarHBondContact OD1-NH2 3.49Å; N440-Y468 PolarHBondContact ND2-OH 3.33Å
441M85.3Confident89.2Confident158 Ų15864.9 Ų64.978%0.77835%0.347SS*.Hα-helixtrans-62.5-37.8175.5-72.3-169.5-148.300112.6L437 Q438 G443L437-M441 WeakPolarHBondContact O-CG 3.4Å; L437-M441 PolarHBondContact O-N 3.16Å; Q438-M441 PolarHBondContact O-N 2.99Å; M441-G443 VanDerWaalsContact C-N 3.26Å; M441-G443 PolarHBondContact O-N 2.82Å
442L85Confident89.1Confident88 Ų8866 Ų6646%0.46135%0.353SS..THydrogen-bonded Turntrans-79.3-8.1177.9-66.8172.6000113.4Q438 M439 N440 H444 F447Q438-L442 WeakPolarHBondContact O-CB 3.36Å; Q438-L442 WeakPolarHBondContact O-CG 3.31Å; Q438-L442 PolarHBondContact O-N 3.19Å; M439-L442 PolarHBondContact O-N 3.11Å; N440-L442 VanDerWaalsContact C-N 3.32Å; N440-L442 PolarHBondContact O-N 3.34Å; L442-H444 PolarHBondContact O-N 3.28Å; L442-F447 HydrophobicContact CD1-CD2 3.96Å; L442-F447 HydrophobicContact CD1-CE2 3.54Å
443G82.9Confident88.8Confident56 Ų5672.1 Ų72.158%0.57738%0.375SS*.THydrogen-bonded Turntrans66.125.2-176.500000113.6M439 N440 M441M439-G443 PolarHBondContact O-N 3.15Å; N440-G443 PolarHBondContact O-N 3.41Å; N440-G443 VanDerWaalsContact O-N 3.16Å; M441-G443 VanDerWaalsContact C-N 3.26Å; M441-G443 PolarHBondContact O-N 2.82Å
444H85.6Confident88.5Confident77 Ų7768.9 Ų68.936%0.35637%0.367SS..  trans-91.8154.7178.4-67-34.3000111.6M439 L442 F446M439-H444 HydrophobicContact CG-CB 4.48Å; M439-H444 VanDerWaalsContact CG-O 3.25Å; M439-H444 WeakPolarHBondContact CG-O 3.28Å; M439-H444 PolarHBondContact O-N 2.87Å; M439-H444 VanDerWaalsContact O-N 3.09Å; L442-H444 PolarHBondContact O-N 3.28Å; H444-F446 WeakPolarHBondContact CB-O 3.44Å
445N88.7Confident88.2Confident108 Ų10869.9 Ų69.958%0.57838%0.375SS*.SBendtrans-88.7-9.6174.7-69-33.2000112.8Y461 R462N445-Y461 CarbonylContact O-C 3.52Å; N445-Y461 VanDerWaalsContact O-CA 3.29Å; N445-Y461 WeakPolarHBondContact O-CA 3.45Å; N445-R462 PolarHBondContact O-N 3.43Å
446F91.4Very high88Confident131 Ų13170.6 Ų70.658%0.57538%0.383SS*.EExtended strand (participates in β ladder)trans-147.1154.217569.3-86.4000109.9H444 I459 V460H444-F446 WeakPolarHBondContact CB-O 3.44Å; F446-I459 HydrophobicContact CB-CG2 4.39Å; F446-V460 CarbonylContact C-O 3.46Å; F446-V460 WeakPolarHBondContact CA-O 3.34Å
447F90.8Very high87.9Confident23 Ų2372 Ų7210%0.10139%0.392CS..EExtended strand (participates in β ladder)trans-145.1132.3176.2-170.2-95.9000109.9M430 A435 Q438 M439 L442 F449 I459 V460M430-F447 HydrophobicContact CE-CE1 4.06Å; M430-F447 HydrophobicContact CE-CZ 4.44Å; M430-F447 HydrophobicContact SD-CE1 3.78Å; A435-F447 HydrophobicContact CB-CD1 4.01Å; A435-F447 HydrophobicContact CB-CE1 4.47Å; Q438-F447 HydrophobicContact CB-CE1 4.1Å; Q438-F447 HydrophobicContact CB-CE2 4.09Å; Q438-F447 HydrophobicContact CB-CZ 3.84Å; M439-F447 HydrophobicContact CB-CB 3.58Å; M439-F447 HydrophobicContact CB-CG 4.24Å; M439-F447 HydrophobicContact CG-CB 3.83Å; L442-F447 HydrophobicContact CD1-CD2 3.96Å; L442-F447 HydrophobicContact CD1-CE2 3.54Å; F447-F449 HydrophobicContact CD1-CB 4.31Å; F447-F449 HydrophobicContact CE1-CB 4.1Å; F447-I459 WeakPolarHBondContact O-CA 3.19Å; F447-V460 HydrophobicContact CB-CG2 3.76Å; F447-V460 PolarHBondContact N-O 3.48Å; F447-V460 PolarHBondContact O-N 2.88Å
448I91Very high88.1Confident61 Ų6167.1 Ų67.131%0.31337%0.366SS..EExtended strand (participates in β ladder)trans-104.5132.3-179.2-171.4172000109L427 T457 I459L427-I448 HydrophobicContact CD2-CB 4.27Å; L427-I448 HydrophobicContact CD2-CD1 4.27Å; L427-I448 HydrophobicContact CD2-CG1 3.79Å; L427-I448 HydrophobicContact CD2-CG2 3.84Å; I448-T457 HydrophobicContact CD1-CG2 3.78Å; I448-T457 HydrophobicContact CG1-CG2 3.85Å; I448-I459 HydrophobicContact CB-CG1 4.33Å; I448-I459 HydrophobicContact CD1-CG1 4.38Å; I448-I459 HydrophobicContact CG1-CG1 4.02Å
449F91.6Very high88.4Confident0 Ų066.9 Ų66.90%037%0.366CS..EExtended strand (participates in β ladder)trans-146.6166.2-177.669.6-71.9000110.5M430 A435 F447 D451 S458 V460 L470M430-F449 HydrophobicContact CE-CB 4.23Å; M430-F449 HydrophobicContact CG-CB 3.78Å; M430-F449 HydrophobicContact CG-CD2 3.52Å; M430-F449 HydrophobicContact CG-CE2 4.41Å; M430-F449 HydrophobicContact CG-CG 3.91Å; M430-F449 WeakPolarHBondContact O-CD2 3.08Å; M430-F449 WeakPolarHBondContact O-CE2 3.39Å; M430-F449 HydrophobicContact SD-CB 3.97Å; M430-F449 HydrophobicContact SD-CG 4.45Å; A435-F449 HydrophobicContact CB-CB 4.39Å; A435-F449 HydrophobicContact CB-CD1 3.44Å; A435-F449 VanDerWaalsContact CB-CD1 3.44Å; A435-F449 HydrophobicContact CB-CD2 4.05Å; A435-F449 HydrophobicContact CB-CE1 3.62Å; A435-F449 HydrophobicContact CB-CE2 4.19Å; A435-F449 HydrophobicContact CB-CG 3.69Å; A435-F449 HydrophobicContact CB-CZ 3.99Å; F447-F449 HydrophobicContact CD1-CB 4.31Å; F447-F449 HydrophobicContact CE1-CB 4.1Å; F449-D451 HydrophobicContact CE2-CB 4.33Å; F449-S458 VanDerWaalsContact CD1-O 3.22Å; F449-S458 WeakPolarHBondContact CD1-O 3.38Å; F449-S458 VanDerWaalsContact CE1-CB 3.49Å; F449-S458 VanDerWaalsContact CZ-CB 3.42Å; F449-S458 PolarHBondContact N-O 3.25Å; F449-S458 PolarHBondContact O-N 3.3Å; F449-S458 VanDerWaalsContact O-O 3.12Å; F449-V460 HydrophobicContact CE1-CG1 3.89Å; F449-V460 HydrophobicContact CZ-CG1 4.47Å; F449-L470 HydrophobicContact CE1-CD1 3.99Å; F449-L470 HydrophobicContact CZ-CD1 3.94Å
450E91.4Very high88.5Confident62 Ų6267 Ų6729%0.2937%0.367SS..EExtended strand (participates in β ladder)trans-94.8128.4169-176176.9170.800107.4L427 K428 P429 M430 A452 G456L427-E450 HydrophobicContact CB-CB 4.08Å; K428-E450 PolarHBondContact O-N 3.49Å; P429-E450 CarbonylContact C-O 3.58Å; P429-E450 VanDerWaalsContact CA-O 3.25Å; P429-E450 WeakPolarHBondContact CA-O 3.34Å; M430-E450 PolarHBondContact N-O 3.06Å; E450-A452 PolarHBondContact O-N 2.83Å; E450-G456 CarbonylContact C-O 3.54Å; E450-G456 WeakPolarHBondContact CA-O 3.19Å
451D89.3Confident88.8Confident15 Ų1567.8 Ų67.88%0.0837%0.366CS..EExtended strand (participates in β ladder)trans-74.8124.1-178.7-169.2-44.3000110.1F449 E453 T454 N455 G456F449-D451 HydrophobicContact CE2-CB 4.33Å; D451-E453 PolarHBondContact O-N 2.82Å; D451-E453 PolarHBondContact OD1-N 3.08Å; D451-T454 VanDerWaalsContact CB-OG1 3.31Å; D451-T454 WeakPolarHBondContact CB-OG1 3.47Å; D451-N455 VanDerWaalsContact O-CA 3.23Å; D451-N455 WeakPolarHBondContact O-CA 3.4Å; D451-N455 PolarHBondContact O-N 2.74Å; D451-G456 PolarHBondContact N-O 3.14Å
452A87.9Confident89.1Confident58 Ų5864.9 Ų64.948%0.47935%0.346SS..THydrogen-bonded Turntrans-65.5-21.7-177.900000114.1M430 E450M430-A452 PolarHBondContact O-N 2.99Å; E450-A452 PolarHBondContact O-N 2.83Å
453E86.1Confident89.3Confident182 Ų18266.2 Ų66.285%0.8535%0.345SS*.THydrogen-bonded Turntrans-90.4-40180-63.8-172.7179.100112.4D451D451-E453 PolarHBondContact O-N 2.82Å; D451-E453 PolarHBondContact OD1-N 3.08Å
454T84.8Confident89.3Confident91 Ų9173.6 Ų73.656%0.55836%0.361SS*.THydrogen-bonded Turntrans-101.4-12.7-174.162.40000113.8D451 G456D451-T454 VanDerWaalsContact CB-OG1 3.31Å; D451-T454 WeakPolarHBondContact CB-OG1 3.47Å; T454-G456 PolarHBondContact O-N 3.45Å; T454-G456 VanDerWaalsContact O-N 3.11Å; T454-G456 PolarHBondContact OG1-N 3.16Å
455N84.3Confident89.2Confident117 Ų11774.2 Ų74.263%0.62637%0.367SS*.  trans52.618.8-165.2-67.7-20.2000113.2D451D451-N455 VanDerWaalsContact O-CA 3.23Å; D451-N455 WeakPolarHBondContact O-CA 3.4Å; D451-N455 PolarHBondContact O-N 2.74Å
456G86.4Confident89Confident16 Ų1671.5 Ų71.517%0.16537%0.365CS..  trans-86.7162.4177.900000112E450 D451 T454E450-G456 CarbonylContact C-O 3.54Å; E450-G456 WeakPolarHBondContact CA-O 3.19Å; D451-G456 PolarHBondContact N-O 3.14Å; T454-G456 PolarHBondContact O-N 3.45Å; T454-G456 VanDerWaalsContact O-N 3.11Å; T454-G456 PolarHBondContact OG1-N 3.16Å
457T90.9Very high88.9Confident52 Ų5272.1 Ų72.132%0.31937%0.367SS..EExtended strand (participates in β ladder)trans-83.9120.6171.5-59.60000109.6L427 I448 T473L427-T457 HydrophobicContact CD1-CG2 3.99Å; I448-T457 HydrophobicContact CD1-CG2 3.78Å; I448-T457 HydrophobicContact CG1-CG2 3.85Å; T457-T473 WeakPolarHBondContact O-CG2 3.29Å; T457-T473 PolarHBondContact O-N 3.21Å; T457-T473 PolarHBondContact O-OG1 2.62Å
458S91.7Very high89Confident1 Ų176.1 Ų76.11%0.00738%0.382CS..EExtended strand (participates in β ladder)trans-120.3146.1-178.4-73.20000111.1F449 I471F449-S458 VanDerWaalsContact CD1-O 3.22Å; F449-S458 WeakPolarHBondContact CD1-O 3.38Å; F449-S458 VanDerWaalsContact CE1-CB 3.49Å; F449-S458 VanDerWaalsContact CZ-CB 3.42Å; F449-S458 PolarHBondContact N-O 3.25Å; F449-S458 PolarHBondContact O-N 3.3Å; F449-S458 VanDerWaalsContact O-O 3.12Å; S458-I471 CarbonylContact C-O 3.59Å; S458-I471 WeakPolarHBondContact CA-O 3.46Å
459I92.6Very high88.9Confident50 Ų5073.8 Ų73.826%0.25637%0.373SS..EExtended strand (participates in β ladder)trans-124118.6178-54.7171.8000109.3F446 F447 I448 L470 I471F446-I459 HydrophobicContact CB-CG2 4.39Å; F447-I459 WeakPolarHBondContact O-CA 3.19Å; I448-I459 HydrophobicContact CB-CG1 4.33Å; I448-I459 HydrophobicContact CD1-CG1 4.38Å; I448-I459 HydrophobicContact CG1-CG1 4.02Å; I459-L470 CarbonylContact O-C 3.6Å; I459-L470 WeakPolarHBondContact O-CA 3.42Å; I459-I471 HydrophobicContact CB-CB 4.33Å; I459-I471 PolarHBondContact N-O 3.31Å; I459-I471 PolarHBondContact O-N 3.21Å
460V92.9Very high88.9Confident3 Ų377 Ų772%0.01839%0.39CS..EExtended strand (participates in β ladder)trans-90141.6165.5-70.30000110A435 V436 M439 F446 F447 F449 G469 L470A435-V460 HydrophobicContact CB-CG1 4.27Å; A435-V460 HydrophobicContact CB-CG2 3.83Å; V436-V460 HydrophobicContact CG2-CB 4.15Å; V436-V460 HydrophobicContact CG2-CG1 4Å; V436-V460 HydrophobicContact CG2-CG2 4.37Å; M439-V460 HydrophobicContact SD-CG2 4.26Å; F446-V460 CarbonylContact C-O 3.46Å; F446-V460 WeakPolarHBondContact CA-O 3.34Å; F447-V460 HydrophobicContact CB-CG2 3.76Å; F447-V460 PolarHBondContact N-O 3.48Å; F447-V460 PolarHBondContact O-N 2.88Å; F449-V460 HydrophobicContact CE1-CG1 3.89Å; F449-V460 HydrophobicContact CZ-CG1 4.47Å; V460-G469 CarbonylContact C-O 3.56Å; V460-G469 VanDerWaalsContact CA-O 3.29Å; V460-G469 WeakPolarHBondContact CA-O 3.14Å; V460-L470 HydrophobicContact CG1-CD1 3.65Å
461Y93.8Very high88.9Confident75 Ų7578.1 Ų78.129%0.29440%0.397SS..EExtended strand (participates in β ladder)trans-142.7151.6175.869.7-80.4000112N445 R463 Y468 G469 I471N445-Y461 CarbonylContact O-C 3.52Å; N445-Y461 VanDerWaalsContact O-CA 3.29Å; N445-Y461 WeakPolarHBondContact O-CA 3.45Å; Y461-R463 HydrophobicContact CD2-CG 4.36Å; Y461-R463 HydrophobicContact CE2-CG 3.72Å; Y461-Y468 WeakPolarHBondContact O-CA 3.03Å; Y461-G469 WeakPolarHBondContact CD1-O 3.28Å; Y461-G469 PolarHBondContact N-O 2.93Å; Y461-G469 PolarHBondContact O-N 3.08Å; Y461-I471 HydrophobicContact CD1-CD1 4.01Å; Y461-I471 HydrophobicContact CD1-CG1 4.11Å; Y461-I471 HydrophobicContact CE1-CD1 3.87Å; Y461-I471 HydrophobicContact CE1-CG1 3.75Å
462R91.5Very high88.8Confident97 Ų9783.6 Ų83.637%0.36642%0.422SS..EExtended strand (participates in β ladder)trans-82.4122.9176.7-164.1179.4-62.41611.9110.1M439 N440 N445M439-R462 HydrophobicContact CE-CB 4.36Å; N440-R462 PolarHBondContact OD1-NH2 3.49Å; N445-R462 PolarHBondContact O-N 3.43Å
463R89Confident88.5Confident116 Ų11684.2 Ų84.244%0.43842%0.42SS..  trans-83.1161175-67.4172.164.196.61.3110.4Y461 D465 G466 K467Y461-R463 HydrophobicContact CD2-CG 4.36Å; Y461-R463 HydrophobicContact CE2-CG 3.72Å; R463-D465 WeakPolarHBondContact CB-OD1 3.44Å; R463-D465 IonicContact CZ-OD2 3.89Å; R463-D465 IonicContact NE-OD1 3.43Å; R463-D465 IonicContact NE-OD2 2.77Å; R463-D465 PolarHBondContact NE-OD2 3.07Å; R463-D465 IonicContact NH2-OD2 3.97Å; R463-D465 PolarHBondContact O-N 3.04Å; R463-G466 PolarHBondContact O-N 2.69Å; R463-G466 VanDerWaalsContact O-N 3.14Å; R463-K467 WeakPolarHBondContact CB-O 3.5Å; R463-K467 PolarHBondContact N-O 2.93Å
464K83.9Confident87.8Confident211 Ų21187.1 Ų87.192%0.91744%0.442SS*.THydrogen-bonded Turntrans-65.4-23.8178.3-67.7-173.4176.8-172.30113.8G466K464-G466 PolarHBondContact O-N 3.13Å
465D83.2Confident88Confident90 Ų9086.9 Ų86.948%0.48144%0.436SS..THydrogen-bonded Turntrans-78.33.817656.614.8000112.8R463 K467R463-D465 WeakPolarHBondContact CB-OD1 3.44Å; R463-D465 IonicContact CZ-OD2 3.89Å; R463-D465 IonicContact NE-OD1 3.43Å; R463-D465 IonicContact NE-OD2 2.77Å; R463-D465 PolarHBondContact NE-OD2 3.07Å; R463-D465 IonicContact NH2-OD2 3.97Å; R463-D465 PolarHBondContact O-N 3.04Å; D465-K467 PolarHBondContact O-N 3.42Å; D465-K467 WeakPolarHBondContact OD1-CB 3.16Å; D465-K467 PolarHBondContact OD1-N 3.42Å
466G83.8Confident88.2Confident51 Ų5185.3 Ų85.353%0.52643%0.426SS..SBendtrans80.4-5.3-177.300000114.2R463 K464R463-G466 PolarHBondContact O-N 2.69Å; R463-G466 VanDerWaalsContact O-N 3.14Å; K464-G466 PolarHBondContact O-N 3.13Å
467K90.6Very high88.3Confident143 Ų14389.2 Ų89.262%0.62244%0.44SS*.  trans-84.3173.2176.1-60.4-177.8177.8-179.20111R463 D465R463-K467 WeakPolarHBondContact CB-O 3.5Å; R463-K467 PolarHBondContact N-O 2.93Å; D465-K467 PolarHBondContact O-N 3.42Å; D465-K467 WeakPolarHBondContact OD1-CB 3.16Å; D465-K467 PolarHBondContact OD1-N 3.42Å
468Y91.4Very high88.1Confident107 Ų10791.4 Ų91.442%0.4245%0.447SS..EExtended strand (participates in β ladder)trans-104143.8176.7-54.8-76.1000110.2V436 M439 N440 Y461V436-Y468 HydrophobicContact CG1-CD1 3.76Å; V436-Y468 HydrophobicContact CG1-CD2 3.87Å; V436-Y468 HydrophobicContact CG1-CE1 3.59Å; V436-Y468 HydrophobicContact CG1-CE2 3.71Å; V436-Y468 HydrophobicContact CG1-CG 3.9Å; V436-Y468 HydrophobicContact CG2-CD1 4.13Å; V436-Y468 HydrophobicContact CG2-CD2 4.46Å; V436-Y468 HydrophobicContact CG2-CG 3.97Å; M439-Y468 HydrophobicContact CE-CD1 3.52Å; M439-Y468 HydrophobicContact CE-CE1 3.4Å; N440-Y468 PolarHBondContact ND2-OH 3.33Å; Y461-Y468 WeakPolarHBondContact O-CA 3.03Å
469G90.6Very high87.9Confident12 Ų1297 Ų9712%0.12448%0.475CS..EExtended strand (participates in β ladder)trans-115.6149.216900000110.2V460 Y461V460-G469 CarbonylContact C-O 3.56Å; V460-G469 VanDerWaalsContact CA-O 3.29Å; V460-G469 WeakPolarHBondContact CA-O 3.14Å; Y461-G469 WeakPolarHBondContact CD1-O 3.28Å; Y461-G469 PolarHBondContact N-O 2.93Å; Y461-G469 PolarHBondContact O-N 3.08Å
470L91.4Very high87.6Confident69 Ų69100.1 Ų100.136%0.36149%0.489SS..EExtended strand (participates in β ladder)trans-116.4136.2175.6-176.467000108.6F449 I459 V460 E472F449-L470 HydrophobicContact CE1-CD1 3.99Å; F449-L470 HydrophobicContact CZ-CD1 3.94Å; I459-L470 CarbonylContact O-C 3.6Å; I459-L470 WeakPolarHBondContact O-CA 3.42Å; V460-L470 HydrophobicContact CG1-CD1 3.65Å; L470-E472 HydrophobicContact CD2-CG 4.14Å; L470-E472 WeakPolarHBondContact CD2-OE1 3.43Å; L470-E472 HydrophobicContact CG-CG 4.2Å
471I90.5Very high87.2Confident84 Ų84107.1 Ų107.143%0.43152%0.523SS..EExtended strand (participates in β ladder)trans-119.5116171.8-59.8171.8000106.5S458 I459 Y461S458-I471 CarbonylContact C-O 3.59Å; S458-I471 WeakPolarHBondContact CA-O 3.46Å; I459-I471 HydrophobicContact CB-CB 4.33Å; I459-I471 PolarHBondContact N-O 3.31Å; I459-I471 PolarHBondContact O-N 3.21Å; Y461-I471 HydrophobicContact CD1-CD1 4.01Å; Y461-I471 HydrophobicContact CD1-CG1 4.11Å; Y461-I471 HydrophobicContact CE1-CD1 3.87Å; Y461-I471 HydrophobicContact CE1-CG1 3.75Å
472E86.8Confident86.7Confident130 Ų130109.5 Ų109.561%0.60754%0.541SS*.EExtended strand (participates in β ladder)trans-98.5144.9175.1-66.5166-174.800109L470L470-E472 HydrophobicContact CD2-CG 4.14Å; L470-E472 WeakPolarHBondContact CD2-OE1 3.43Å; L470-E472 HydrophobicContact CG-CG 4.2Å
473T82.2Confident86.3Confident72 Ų72110.6 Ų110.644%0.44256%0.555SS.*  trans-108.3130.7173.762.80000110.3T457T457-T473 WeakPolarHBondContact O-CG2 3.29Å; T457-T473 PolarHBondContact O-N 3.21Å; T457-T473 PolarHBondContact O-OG1 2.62Å
474D71.7Confident86Confident242 Ų242110.1 Ų110.1100%1.29457%0.566SS**  trans-70.20174.7-70.5-24.9000113.8

Retrieved 474 of 474 residues in 143.3 ms (Link to these results)

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