A0A087YF83_POEFO Loading...

Dehydrogenase/reductase (SDR family) member 1

AlphaFold DB , UniProt , Accession A0A087YF83, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 310 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
1M59Low93.9Very high172 Ų17239.8 Ų39.885%0.84724%0.243SC*.  0140.20-59.8179.8-140.100106.9N238M1-N238 HydrophobicContact CB-CB 4.14Å; M1-N238 VanDerWaalsContact CB-CG 3.47Å; M1-N238 WeakPolarHBondContact CB-OD1 3.28Å; M1-N238 HydrophobicContact CG-CB 4.3Å; M1-N238 HydrophobicContact SD-CB 3.23Å; M1-N238 WeakPolarHBondContact SD-CB 3.43Å
2S89.3Confident94.1Very high73 Ų7338.3 Ų38.351%0.5124%0.242SC..  trans-109132.5-170.1166.50000110.6S4S2-S4 VanDerWaalsContact OG-CB 3.24Å; S2-S4 WeakPolarHBondContact OG-CB 3.36Å; S2-S4 PolarHBondContact OG-N 2.62Å; S2-S4 PolarHBondContact OG-OG 2.94Å
3L97.6Very high94.3Very high0 Ų035.4 Ų35.40%022%0.223CC..  trans-103.223.4167.8-59-176.5000110.6G5 W6 L25 A28 A30 I86 V234 A237L3-G5 PolarHBondContact O-N 3.2Å; L3-W6 HydrophobicContact CB-CB 4.23Å; L3-W6 HydrophobicContact CB-CD2 4.42Å; L3-W6 HydrophobicContact CB-CG 4.13Å; L3-W6 HydrophobicContact CD2-CD2 3.88Å; L3-W6 HydrophobicContact CD2-CE3 3.91Å; L3-W6 HydrophobicContact CD2-CG 4.45Å; L3-W6 HydrophobicContact CD2-CH2 4.26Å; L3-W6 HydrophobicContact CD2-CZ2 4.21Å; L3-W6 HydrophobicContact CD2-CZ3 4.11Å; L3-W6 WeakPolarHBondContact O-CB 3.41Å; L3-W6 PolarHBondContact O-N 2.7Å; L3-L25 HydrophobicContact CD1-CD2 3.79Å; L3-A28 HydrophobicContact CB-CB 3.98Å; L3-A28 HydrophobicContact CD1-CB 3.9Å; L3-A28 HydrophobicContact CG-CB 3.76Å; L3-A28 PolarHBondContact N-O 3.16Å; L3-A30 HydrophobicContact CB-CB 4.13Å; L3-I86 HydrophobicContact CD1-CD1 4.38Å; L3-V234 HydrophobicContact CD1-CG1 4.39Å; L3-V234 HydrophobicContact CD1-CG2 4.14Å; L3-A237 HydrophobicContact CD1-CB 4.46Å; L3-A237 HydrophobicContact CD2-CB 4.02Å
4S97.4Very high94.3Very high78 Ų7834.2 Ų34.255%0.54522%0.217SC..THydrogen-bonded Turntrans-58.5132.4178.1-64.10000110.9S2 W6 G29S2-S4 VanDerWaalsContact OG-CB 3.24Å; S2-S4 WeakPolarHBondContact OG-CB 3.36Å; S2-S4 PolarHBondContact OG-N 2.62Å; S2-S4 PolarHBondContact OG-OG 2.94Å; S4-W6 VanDerWaalsContact C-N 3.25Å; S4-W6 PolarHBondContact O-N 2.56Å; S4-G29 WeakPolarHBondContact CA-O 3.44Å
5G97.1Very high94.2Very high51 Ų5139.5 Ų39.553%0.52623%0.231SC..THydrogen-bonded Turntrans79.5-0.7-174.900000114.8L3 R83L3-G5 PolarHBondContact O-N 3.2Å; G5-R83 VanDerWaalsContact O-CZ 3.27Å; G5-R83 PolarHBondContact O-NE 3.22Å
6W98.7Very high94.3Very high62 Ų6237.4 Ų37.424%0.23522%0.22CC..  trans-82145.9172.5-6940.3000110.9L3 S4 A30 T31 D85 I86 A237L3-W6 HydrophobicContact CB-CB 4.23Å; L3-W6 HydrophobicContact CB-CD2 4.42Å; L3-W6 HydrophobicContact CB-CG 4.13Å; L3-W6 HydrophobicContact CD2-CD2 3.88Å; L3-W6 HydrophobicContact CD2-CE3 3.91Å; L3-W6 HydrophobicContact CD2-CG 4.45Å; L3-W6 HydrophobicContact CD2-CH2 4.26Å; L3-W6 HydrophobicContact CD2-CZ2 4.21Å; L3-W6 HydrophobicContact CD2-CZ3 4.11Å; L3-W6 WeakPolarHBondContact O-CB 3.41Å; L3-W6 PolarHBondContact O-N 2.7Å; S4-W6 VanDerWaalsContact C-N 3.25Å; S4-W6 PolarHBondContact O-N 2.56Å; W6-A30 HydrophobicContact CB-CB 4.47Å; W6-T31 PolarHBondContact O-N 3.15Å; W6-D85 VanDerWaalsContact CA-OD2 3.24Å; W6-D85 WeakPolarHBondContact CA-OD2 3.46Å; W6-D85 HydrophobicContact CB-CB 4.1Å; W6-D85 HydrophobicContact CD2-CB 3.89Å; W6-D85 HydrophobicContact CE3-CB 3.47Å; W6-D85 VanDerWaalsContact CE3-CB 3.47Å; W6-D85 HydrophobicContact CG-CB 4.2Å; W6-D85 HydrophobicContact CZ3-CB 4.16Å; W6-I86 HydrophobicContact CE3-CD1 3.91Å; W6-I86 HydrophobicContact CE3-CG1 3.95Å; W6-I86 HydrophobicContact CZ3-CD1 3.99Å; W6-I86 HydrophobicContact CZ3-CG1 4.04Å; W6-A237 HydrophobicContact CH2-CB 4.26Å; W6-A237 WeakPolarHBondContact CH2-O 3.36Å; W6-A237 HydrophobicContact CZ3-CB 3.89Å
7V98.9Very high94.5Very high2 Ų237 Ų371%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-109.8121.3177.2179.30000108.8Y33 I76 Q80 R83 L84 D85 I86V7-Y33 HydrophobicContact CG1-CD2 4.05Å; V7-Y33 HydrophobicContact CG1-CE2 3.86Å; V7-I76 HydrophobicContact CG1-CG2 4.16Å; V7-Q80 HydrophobicContact CG1-CB 4.46Å; V7-Q80 HydrophobicContact CG1-CG 3.91Å; V7-Q80 HydrophobicContact CG2-CB 3.96Å; V7-Q80 HydrophobicContact CG2-CG 3.79Å; V7-R83 HydrophobicContact CG2-CB 4.36Å; V7-R83 HydrophobicContact CG2-CG 4.19Å; V7-L84 HydrophobicContact CG1-CD1 4.25Å; V7-D85 PolarHBondContact N-OD2 3.38Å; V7-D85 PolarHBondContact O-N 2.97Å; V7-I86 PolarHBondContact O-N 2.96Å
8C98.9Very high94.6Very high0 Ų034.9 Ų34.90%021%0.205CC..EExtended strand (participates in β ladder)trans-122.2146.3-176.9-57.20000110.8L25 T31 V32 Y33 I86C8-L25 HydrophobicContact CB-CD1 3.97Å; C8-T31 PolarHBondContact N-O 3.21Å; C8-V32 HydrophobicContact CB-CG1 4.4Å; C8-V32 HydrophobicContact CB-CG2 4.42Å; C8-V32 CarbonylContact O-C 3.59Å; C8-V32 WeakPolarHBondContact O-CA 3.24Å; C8-Y33 PolarHBondContact O-N 2.8Å; C8-I86 CarbonylContact C-O 3.44Å; C8-I86 VanDerWaalsContact CA-O 3.28Å; C8-I86 WeakPolarHBondContact CA-O 3.45Å; C8-I86 HydrophobicContact CB-CB 4.25Å
9V98.9Very high94.8Very high0 Ų036.2 Ų36.20%021%0.206CC..EExtended strand (participates in β ladder)trans-117.7128167.71760000108.6T11 Y33 L72 F73 I76 L84 I86 L87 V88V9-T11 HydrophobicContact CG1-CG2 4.22Å; V9-Y33 CarbonylContact C-O 3.52Å; V9-Y33 WeakPolarHBondContact CA-O 3.27Å; V9-L72 HydrophobicContact CG1-CD2 4.26Å; V9-F73 HydrophobicContact CG2-CE1 4.37Å; V9-I76 HydrophobicContact CG2-CD1 3.36Å; V9-L84 HydrophobicContact CB-CD1 4.43Å; V9-L84 HydrophobicContact CG2-CD1 3.68Å; V9-I86 PolarHBondContact N-O 3.43Å; V9-L87 HydrophobicContact CB-CD1 3.85Å; V9-L87 HydrophobicContact CG1-CD1 3.77Å; V9-V88 PolarHBondContact O-N 3.27Å
10V98.9Very high95Very high0 Ų034.4 Ų34.40%020%0.195CC..EExtended strand (participates in β ladder)trans-122.3115.7172.3-169.80000109.4A13 G18 I21 A22 L25 V32 Y33 T35 V88V10-A13 HydrophobicContact CB-CB 4.02Å; V10-A13 HydrophobicContact CG1-CB 3.87Å; V10-A13 WeakPolarHBondContact O-CB 3.35Å; V10-G18 WeakPolarHBondContact CG1-O 3.45Å; V10-I21 HydrophobicContact CG1-CB 4.3Å; V10-I21 HydrophobicContact CG1-CG2 4.16Å; V10-I21 HydrophobicContact CG2-CG2 4.04Å; V10-A22 HydrophobicContact CG2-CB 4.35Å; V10-L25 HydrophobicContact CG2-CD1 3.63Å; V10-V32 HydrophobicContact CG2-CG1 3.81Å; V10-Y33 PolarHBondContact N-O 3.03Å; V10-T35 PolarHBondContact O-N 3.36Å; V10-T35 VanDerWaalsContact O-N 3.12Å; V10-V88 HydrophobicContact CB-CB 4.45Å; V10-V88 HydrophobicContact CG1-CB 4.13Å; V10-V88 HydrophobicContact CG1-CG1 4.3Å; V10-V88 HydrophobicContact CG2-CB 4.29Å; V10-V88 HydrophobicContact CG2-CG2 4.24Å
11T98.6Very high95.2Very high0 Ų032.8 Ų32.80%019%0.186CC..THydrogen-bonded Turntrans-84.6141.9-176.466.70000112V9 A13 T35 L87 V88 N90 A91 F128V9-T11 HydrophobicContact CG1-CG2 4.22Å; T11-A13 VanDerWaalsContact C-N 3.32Å; T11-A13 PolarHBondContact O-N 2.82Å; T11-T35 VanDerWaalsContact CA-OG1 3.26Å; T11-T35 WeakPolarHBondContact CA-OG1 3.23Å; T11-L87 HydrophobicContact CG2-CD1 4.45Å; T11-V88 PolarHBondContact N-O 3.03Å; T11-V88 PolarHBondContact OG1-O 3.13Å; T11-V88 VanDerWaalsContact OG1-O 3.13Å; T11-N90 CarbonylContact O-C 3.6Å; T11-N90 WeakPolarHBondContact O-CB 3.47Å; T11-N90 PolarHBondContact O-ND2 2.97Å; T11-N90 PolarHBondContact OG1-N 3.03Å; T11-A91 PolarHBondContact O-N 2.97Å; T11-A91 PolarHBondContact OG1-N 3.24Å; T11-F128 HydrophobicContact CG2-CD1 3.68Å; T11-F128 HydrophobicContact CG2-CD2 3.76Å; T11-F128 HydrophobicContact CG2-CE1 3.68Å; T11-F128 HydrophobicContact CG2-CE2 3.75Å; T11-F128 HydrophobicContact CG2-CG 3.77Å; T11-F128 HydrophobicContact CG2-CZ 3.72Å
12G96.3Very high97.1Very high22 Ų2224.6 Ų24.623%0.22715%0.146CC..THydrogen-bonded Turntrans59.841.9-178.300000113.1T35 N90G12-T35 CarbonylContact C-O 3.5Å; G12-T35 VanDerWaalsContact CA-O 3.29Å; G12-T35 WeakPolarHBondContact CA-O 3.48Å; G12-T35 PolarHBondContact N-O 3.44Å; G12-T35 VanDerWaalsContact N-O 3.13Å; G12-T35 PolarHBondContact N-OG1 3.28Å; G12-N90 PolarHBondContact O-ND2 3.17Å
13A96.9Very high97.5Very high0 Ų021.2 Ų21.20%012%0.122CC..THydrogen-bonded Turntrans-93.112.8-172.100000113.9V10 T11 R15 R19 A22 I34 T35 T45V10-A13 HydrophobicContact CB-CB 4.02Å; V10-A13 HydrophobicContact CG1-CB 3.87Å; V10-A13 WeakPolarHBondContact O-CB 3.35Å; T11-A13 VanDerWaalsContact C-N 3.32Å; T11-A13 PolarHBondContact O-N 2.82Å; A13-R15 PolarHBondContact O-N 3.07Å; A13-R19 WeakPolarHBondContact O-CA 3.24Å; A13-R19 WeakPolarHBondContact O-CB 3.43Å; A13-A22 HydrophobicContact CB-CB 4.42Å; A13-I34 HydrophobicContact CB-CB 3.79Å; A13-I34 HydrophobicContact CB-CG2 3.79Å; A13-T35 PolarHBondContact N-O 2.9Å; A13-T45 VanDerWaalsContact O-CG2 3.27Å; A13-T45 WeakPolarHBondContact O-CG2 3.27Å
14S93.6Very high97.5Very high19 Ų1921.9 Ų21.913%0.13313%0.125CC..THydrogen-bonded Turntrans-72.6-9.1176.9-46.90000114.6L42 T45S14-L42 WeakPolarHBondContact OG-CD1 3.38Å; S14-T45 PolarHBondContact O-OG1 2.98Å
15R93.5Very high97.6Very high113 Ų11318.2 Ų18.243%0.42610%0.099SC..SBendtrans-167.2175.9179.865-177.471.1-174.52.4111.3A13 R19A13-R15 PolarHBondContact O-N 3.07Å; R15-R19 VanDerWaalsContact C-CB 3.5Å; R15-R19 PolarHBondContact O-N 3.1Å
16G94.9Very high97.7Very high6 Ų615.8 Ų15.86%0.0627%0.074CC..Hα-helixtrans60.9-145.6166.900000114.2G18 R19 G20 E197 T226G16-G18 VanDerWaalsContact C-N 3.32Å; G16-G18 PolarHBondContact O-N 3.3Å; G16-R19 PolarHBondContact O-N 3.24Å; G16-G20 PolarHBondContact O-N 3.42Å; G16-E197 WeakPolarHBondContact CA-OE2 3.25Å; G16-E197 PolarHBondContact N-OE1 2.8Å; G16-E197 PolarHBondContact N-OE2 3.46Å; G16-T226 WeakPolarHBondContact O-CB 3.43Å
17I97.1Very high97.6Very high31 Ų3118 Ų1816%0.1599%0.087CC..Hα-helixtrans-56.6-44.8-178.4-64.7166.4000111.3R19 G20 I21 N90 P191 V194 T196I17-R19 VanDerWaalsContact C-N 3.35Å; I17-R19 PolarHBondContact O-N 3.21Å; I17-G20 PolarHBondContact O-N 2.93Å; I17-G20 VanDerWaalsContact O-N 3.17Å; I17-I21 HydrophobicContact CG2-CD1 3.59Å; I17-I21 HydrophobicContact CG2-CG1 4.19Å; I17-I21 VanDerWaalsContact O-CG1 3.31Å; I17-I21 WeakPolarHBondContact O-CG1 3.43Å; I17-I21 PolarHBondContact O-N 2.88Å; I17-N90 WeakPolarHBondContact CG2-OD1 3.47Å; I17-P191 HydrophobicContact CD1-CB 4.4Å; I17-P191 HydrophobicContact CD1-CG 4.26Å; I17-V194 HydrophobicContact CD1-CB 4.08Å; I17-V194 HydrophobicContact CD1-CG1 4.37Å; I17-V194 HydrophobicContact CD1-CG2 3.72Å; I17-V194 HydrophobicContact CG1-CB 4.04Å; I17-V194 HydrophobicContact CG1-CG1 3.77Å; I17-V194 HydrophobicContact CG1-CG2 3.93Å; I17-T196 HydrophobicContact CG1-CG2 4.14Å
18G97.8Very high97.6Very high0 Ų018.4 Ų18.40%09%0.091CC..Hα-helixtrans-60.2-42.6179.400000112.9V10 G16 I21 A22 N90V10-G18 WeakPolarHBondContact CG1-O 3.45Å; G16-G18 VanDerWaalsContact C-N 3.32Å; G16-G18 PolarHBondContact O-N 3.3Å; G18-I21 PolarHBondContact O-N 3.15Å; G18-A22 WeakPolarHBondContact O-CB 3.49Å; G18-A22 PolarHBondContact O-N 3.23Å; G18-N90 WeakPolarHBondContact CA-ND2 3.37Å; G18-N90 PolarHBondContact N-ND2 3.42Å; G18-N90 PolarHBondContact N-OD1 2.82Å
19R97.9Very high97.6Very high59 Ų5919.4 Ų19.422%0.22310%0.101CC..Hα-helixtrans-60.5-49.6173.1171.4170.3172.4-82.7-5.4110.8A13 R15 G16 I17 I21 A22 L23 T45 E48A13-R19 WeakPolarHBondContact O-CA 3.24Å; A13-R19 WeakPolarHBondContact O-CB 3.43Å; R15-R19 VanDerWaalsContact C-CB 3.5Å; R15-R19 PolarHBondContact O-N 3.1Å; G16-R19 PolarHBondContact O-N 3.24Å; I17-R19 VanDerWaalsContact C-N 3.35Å; I17-R19 PolarHBondContact O-N 3.21Å; R19-I21 VanDerWaalsContact C-N 3.32Å; R19-I21 PolarHBondContact O-N 2.87Å; R19-A22 PolarHBondContact O-N 2.91Å; R19-A22 VanDerWaalsContact O-N 3.13Å; R19-L23 HydrophobicContact CG-CD1 4.1Å; R19-L23 HydrophobicContact CG-CG 4.37Å; R19-L23 WeakPolarHBondContact O-CG 3.31Å; R19-L23 PolarHBondContact O-N 3.49Å; R19-T45 HydrophobicContact CB-CG2 4.13Å; R19-T45 HydrophobicContact CG-CG2 3.71Å; R19-E48 IonicContact CZ-OE2 3.25Å; R19-E48 IonicContact NE-OE2 3.81Å; R19-E48 PolarHBondContact NE-OE2 3.34Å; R19-E48 IonicContact NH2-OE1 2.81Å; R19-E48 IonicContact NH2-OE2 3.48Å; R19-E48 PolarHBondContact NH2-OE2 3.3Å
20G98.3Very high97.5Very high0 Ų019.4 Ų19.40%010%0.101CC..Hα-helixtrans-61.5-37.8-179.600000113.7G16 I17 L23 Q24 T226G16-G20 PolarHBondContact O-N 3.42Å; I17-G20 PolarHBondContact O-N 2.93Å; I17-G20 VanDerWaalsContact O-N 3.17Å; G20-L23 PolarHBondContact O-N 3.16Å; G20-Q24 WeakPolarHBondContact O-CG 3.44Å; G20-Q24 PolarHBondContact O-N 3.15Å; G20-T226 WeakPolarHBondContact CA-O 3.47Å
21I98.8Very high97.5Very high0 Ų020.5 Ų20.50%011%0.108CC..Hα-helixtrans-63.2-46.4172.7-67.5168.5000111V10 I17 G18 R19 L23 Q24 L25 V88 V147 I233V10-I21 HydrophobicContact CG1-CB 4.3Å; V10-I21 HydrophobicContact CG1-CG2 4.16Å; V10-I21 HydrophobicContact CG2-CG2 4.04Å; I17-I21 HydrophobicContact CG2-CD1 3.59Å; I17-I21 HydrophobicContact CG2-CG1 4.19Å; I17-I21 VanDerWaalsContact O-CG1 3.31Å; I17-I21 WeakPolarHBondContact O-CG1 3.43Å; I17-I21 PolarHBondContact O-N 2.88Å; G18-I21 PolarHBondContact O-N 3.15Å; R19-I21 VanDerWaalsContact C-N 3.32Å; R19-I21 PolarHBondContact O-N 2.87Å; I21-L23 VanDerWaalsContact C-N 3.34Å; I21-L23 PolarHBondContact O-N 3.38Å; I21-Q24 PolarHBondContact O-N 3.22Å; I21-L25 HydrophobicContact CG2-CD1 3.82Å; I21-L25 HydrophobicContact CG2-CG 4.29Å; I21-L25 WeakPolarHBondContact O-CG 3.41Å; I21-L25 PolarHBondContact O-N 3.44Å; I21-V88 HydrophobicContact CD1-CG1 3.9Å; I21-V88 HydrophobicContact CG2-CG1 4.34Å; I21-V88 HydrophobicContact CG2-CG2 4.11Å; I21-V147 HydrophobicContact CD1-CG2 4.38Å; I21-I233 HydrophobicContact CD1-CD1 3.75Å; I21-I233 HydrophobicContact CG1-CD1 4Å; I21-I233 HydrophobicContact CG2-CD1 3.76Å
22A98.8Very high97.6Very high0 Ų020.5 Ų20.50%011%0.108CC..Hα-helixtrans-61.8-40.8179.500000112.3V10 A13 G18 R19 S26 V32 I34 V49V10-A22 HydrophobicContact CG2-CB 4.35Å; A13-A22 HydrophobicContact CB-CB 4.42Å; G18-A22 WeakPolarHBondContact O-CB 3.49Å; G18-A22 PolarHBondContact O-N 3.23Å; R19-A22 PolarHBondContact O-N 2.91Å; R19-A22 VanDerWaalsContact O-N 3.13Å; A22-S26 WeakPolarHBondContact O-CB 3.46Å; A22-S26 PolarHBondContact O-N 3.23Å; A22-V32 HydrophobicContact CB-CG1 4.02Å; A22-I34 HydrophobicContact CB-CG2 3.66Å; A22-V49 HydrophobicContact CB-CG2 3.78Å
23L98.5Very high97.7Very high3 Ų319.5 Ų19.52%0.01610%0.097CC..Hα-helixtrans-60.6-46.2176.3-67173.1000111.6R19 G20 I21 S26 E27 E48 V49 R52R19-L23 HydrophobicContact CG-CD1 4.1Å; R19-L23 HydrophobicContact CG-CG 4.37Å; R19-L23 WeakPolarHBondContact O-CG 3.31Å; R19-L23 PolarHBondContact O-N 3.49Å; G20-L23 PolarHBondContact O-N 3.16Å; I21-L23 VanDerWaalsContact C-N 3.34Å; I21-L23 PolarHBondContact O-N 3.38Å; L23-S26 WeakPolarHBondContact O-CB 3.42Å; L23-S26 PolarHBondContact O-N 3.19Å; L23-E27 WeakPolarHBondContact O-CB 3.22Å; L23-E27 PolarHBondContact O-N 3.14Å; L23-E48 HydrophobicContact CD2-CB 3.95Å; L23-V49 HydrophobicContact CD2-CG2 4.03Å; L23-R52 HydrophobicContact CD2-CG 4Å
24Q98.6Very high97.8Very high14 Ų1419.5 Ų19.57%0.06510%0.097CC..Hα-helixtrans-71-37.1-179.2-71.5-63.3-54.400113.4G20 I21 S26 E27 A28 E227 K231 V234G20-Q24 WeakPolarHBondContact O-CG 3.44Å; G20-Q24 PolarHBondContact O-N 3.15Å; I21-Q24 PolarHBondContact O-N 3.22Å; Q24-S26 PolarHBondContact O-N 2.73Å; Q24-E27 PolarHBondContact NE2-OE2 3.34Å; Q24-E27 PolarHBondContact O-N 3.33Å; Q24-A28 PolarHBondContact O-N 2.92Å; Q24-A28 VanDerWaalsContact O-N 3.13Å; Q24-E227 HydrophobicContact CG-CB 4.06Å; Q24-E227 WeakPolarHBondContact CG-O 3.46Å; Q24-E227 PolarHBondContact NE2-OE2 2.97Å; Q24-K231 HydrophobicContact CG-CG 4.16Å; Q24-V234 HydrophobicContact CB-CG2 4.39Å
25L98.8Very high98Very high0 Ų018.6 Ų18.60%09%0.091CC..Hα-helixtrans-61.7-38171.6-72.2171.5000111.2L3 C8 V10 I21 A28 G29 A30 V32 I86 I233 V234L3-L25 HydrophobicContact CD1-CD2 3.79Å; C8-L25 HydrophobicContact CB-CD1 3.97Å; V10-L25 HydrophobicContact CG2-CD1 3.63Å; I21-L25 HydrophobicContact CG2-CD1 3.82Å; I21-L25 HydrophobicContact CG2-CG 4.29Å; I21-L25 WeakPolarHBondContact O-CG 3.41Å; I21-L25 PolarHBondContact O-N 3.44Å; L25-A28 PolarHBondContact O-N 3.16Å; L25-G29 PolarHBondContact O-N 3.46Å; L25-A30 HydrophobicContact CB-CB 4.49Å; L25-A30 VanDerWaalsContact O-CB 3.29Å; L25-A30 WeakPolarHBondContact O-CB 3.47Å; L25-A30 PolarHBondContact O-N 3.37Å; L25-A30 VanDerWaalsContact O-N 3.13Å; L25-V32 HydrophobicContact CB-CG2 3.84Å; L25-I86 HydrophobicContact CD2-CD1 3.93Å; L25-I233 HydrophobicContact CD2-CG2 4.17Å; L25-V234 HydrophobicContact CD2-CG2 4.02Å
26S98.3Very high98.1Very high0 Ų013.6 Ų13.60%07%0.074CC..Hα-helixtrans-70.1-40.6176.2-157.80000113.3A22 L23 Q24 A28 G29 V49 G53 G54A22-S26 WeakPolarHBondContact O-CB 3.46Å; A22-S26 PolarHBondContact O-N 3.23Å; L23-S26 WeakPolarHBondContact O-CB 3.42Å; L23-S26 PolarHBondContact O-N 3.19Å; Q24-S26 PolarHBondContact O-N 2.73Å; S26-A28 PolarHBondContact O-N 2.92Å; S26-G29 WeakPolarHBondContact O-CA 3.39Å; S26-G29 PolarHBondContact O-N 3.4Å; S26-V49 VanDerWaalsContact CB-O 3.26Å; S26-V49 WeakPolarHBondContact CB-O 3.38Å; S26-V49 PolarHBondContact OG-O 2.93Å; S26-G53 CarbonylContact O-C 3.3Å; S26-G54 WeakPolarHBondContact O-CA 3.39Å; S26-G54 PolarHBondContact O-N 3.26Å; S26-G54 WeakPolarHBondContact OG-CA 3.26Å; S26-G54 PolarHBondContact OG-N 3.39Å
27E97.9Very high98.1Very high108 Ų10820.7 Ų20.751%0.50510%0.099SC..Hα-helixtrans-59.9-28.9174-169.6172.9167.300111.9L23 Q24 G29 R52L23-E27 WeakPolarHBondContact O-CB 3.22Å; L23-E27 PolarHBondContact O-N 3.14Å; Q24-E27 PolarHBondContact NE2-OE2 3.34Å; Q24-E27 PolarHBondContact O-N 3.33Å; E27-G29 VanDerWaalsContact C-N 3.29Å; E27-R52 WeakPolarHBondContact CA-O 3.34Å; E27-R52 IonicContact OE2-NE 2.72Å; E27-R52 IonicContact OE2-NH2 2.94Å
28A98.3Very high97.9Very high12 Ų1225.3 Ų25.310%0.09912%0.12CC..THydrogen-bonded Turntrans-79.8-4.9170.500000114.2L3 Q24 L25 S26 V234L3-A28 HydrophobicContact CB-CB 3.98Å; L3-A28 HydrophobicContact CD1-CB 3.9Å; L3-A28 HydrophobicContact CG-CB 3.76Å; L3-A28 PolarHBondContact N-O 3.16Å; Q24-A28 PolarHBondContact O-N 2.92Å; Q24-A28 VanDerWaalsContact O-N 3.13Å; L25-A28 PolarHBondContact O-N 3.16Å; S26-A28 PolarHBondContact O-N 2.92Å; A28-V234 HydrophobicContact CB-CG1 3.85Å; A28-V234 HydrophobicContact CB-CG2 4.17Å
29G98.2Very high97.8Very high20 Ų2029.8 Ų29.821%0.20614%0.141CC..THydrogen-bonded Turntrans96.811.8174.500000116S4 L25 S26 E27S4-G29 WeakPolarHBondContact CA-O 3.44Å; L25-G29 PolarHBondContact O-N 3.46Å; S26-G29 WeakPolarHBondContact O-CA 3.39Å; S26-G29 PolarHBondContact O-N 3.4Å; E27-G29 VanDerWaalsContact C-N 3.29Å
30A98.7Very high97.7Very high0 Ų035.4 Ų35.40%017%0.167CC..  trans-75.1157.2-177.700000113.3L3 W6 L25 V32 G54 K55L3-A30 HydrophobicContact CB-CB 4.13Å; W6-A30 HydrophobicContact CB-CB 4.47Å; L25-A30 HydrophobicContact CB-CB 4.49Å; L25-A30 VanDerWaalsContact O-CB 3.29Å; L25-A30 WeakPolarHBondContact O-CB 3.47Å; L25-A30 PolarHBondContact O-N 3.37Å; L25-A30 VanDerWaalsContact O-N 3.13Å; A30-V32 HydrophobicContact CB-CG2 4.12Å; A30-G54 VanDerWaalsContact O-CA 3.31Å; A30-G54 WeakPolarHBondContact O-CA 3.33Å; A30-K55 PolarHBondContact O-N 3.37Å
31T98.8Very high97.5Very high24 Ų2437.3 Ų37.315%0.14718%0.179CC..EExtended strand (participates in β ladder)trans-83.6122.7158.8-63.90000108.5W6 C8 Y33 K55 V57W6-T31 PolarHBondContact O-N 3.15Å; C8-T31 PolarHBondContact N-O 3.21Å; T31-Y33 HydrophobicContact CG2-CD2 4.48Å; T31-Y33 HydrophobicContact CG2-CE2 4.07Å; T31-K55 CarbonylContact C-O 3.59Å; T31-K55 WeakPolarHBondContact CA-O 3.38Å; T31-K55 HydrophobicContact CG2-CB 4.28Å; T31-K55 HydrophobicContact CG2-CD 4.26Å; T31-K55 HydrophobicContact CG2-CG 4.43Å; T31-V57 HydrophobicContact CG2-CG2 4.11Å
32V98.9Very high97.3Very high0 Ų037.4 Ų37.40%018%0.18CC..EExtended strand (participates in β ladder)trans-121107-172.7-167.20000110.3C8 V10 A22 L25 A30 I34 V49 K55 V57C8-V32 HydrophobicContact CB-CG1 4.4Å; C8-V32 HydrophobicContact CB-CG2 4.42Å; C8-V32 CarbonylContact O-C 3.59Å; C8-V32 WeakPolarHBondContact O-CA 3.24Å; V10-V32 HydrophobicContact CG2-CG1 3.81Å; A22-V32 HydrophobicContact CB-CG1 4.02Å; L25-V32 HydrophobicContact CB-CG2 3.84Å; A30-V32 HydrophobicContact CB-CG2 4.12Å; V32-I34 HydrophobicContact CG1-CG2 3.84Å; V32-I34 PolarHBondContact O-N 3.34Å; V32-V49 HydrophobicContact CB-CG1 4.14Å; V32-V49 HydrophobicContact CG2-CG1 4.38Å; V32-K55 PolarHBondContact N-O 3.37Å; V32-V57 PolarHBondContact O-N 2.86Å
33Y98.9Very high97.3Very high0 Ų042.9 Ų42.90%020%0.203CC..EExtended strand (participates in β ladder)trans-74116.3165.3-70-97.5000108.8V7 C8 V9 V10 T31 V57 V59 L72 I76 E79 Q80V7-Y33 HydrophobicContact CG1-CD2 4.05Å; V7-Y33 HydrophobicContact CG1-CE2 3.86Å; C8-Y33 PolarHBondContact O-N 2.8Å; V9-Y33 CarbonylContact C-O 3.52Å; V9-Y33 WeakPolarHBondContact CA-O 3.27Å; V10-Y33 PolarHBondContact N-O 3.03Å; T31-Y33 HydrophobicContact CG2-CD2 4.48Å; T31-Y33 HydrophobicContact CG2-CE2 4.07Å; Y33-V57 WeakPolarHBondContact CA-O 3.2Å; Y33-V57 HydrophobicContact CD1-CB 3.83Å; Y33-V57 HydrophobicContact CD1-CG1 3.7Å; Y33-V57 HydrophobicContact CE1-CB 4Å; Y33-V57 HydrophobicContact CE1-CG1 3.6Å; Y33-V57 HydrophobicContact CE1-CG2 4.4Å; Y33-V57 HydrophobicContact CG-CB 4.21Å; Y33-V59 HydrophobicContact CD1-CG2 3.91Å; Y33-L72 HydrophobicContact CD1-CD1 4.35Å; Y33-I76 HydrophobicContact CD1-CD1 4.36Å; Y33-I76 HydrophobicContact CD1-CG1 3.81Å; Y33-I76 HydrophobicContact CD2-CD1 4.37Å; Y33-I76 HydrophobicContact CD2-CG1 4Å; Y33-I76 HydrophobicContact CE1-CG1 3.78Å; Y33-I76 HydrophobicContact CE2-CG1 3.99Å; Y33-I76 HydrophobicContact CG-CD1 4.15Å; Y33-I76 HydrophobicContact CG-CG1 3.93Å; Y33-E79 VanDerWaalsContact CE1-OE2 3.26Å; Y33-E79 WeakPolarHBondContact CE1-OE2 3.48Å; Y33-E79 VanDerWaalsContact CZ-OE2 3.31Å; Y33-E79 WeakPolarHBondContact OH-CB 3.27Å; Y33-E79 PolarHBondContact OH-OE2 3.04Å; Y33-Q80 HydrophobicContact CE2-CG 3.97Å; Y33-Q80 WeakPolarHBondContact OH-CG 3.37Å; Y33-Q80 PolarHBondContact OH-NE2 3.29Å
34I98.7Very high97.2Very high0 Ų048 Ų480%023%0.227CC..EExtended strand (participates in β ladder)trans-107.8133.7177.759.6169.1000109.9A13 A22 V32 L42 T45 A46 V57 P58 V59A13-I34 HydrophobicContact CB-CB 3.79Å; A13-I34 HydrophobicContact CB-CG2 3.79Å; A22-I34 HydrophobicContact CB-CG2 3.66Å; V32-I34 HydrophobicContact CG1-CG2 3.84Å; V32-I34 PolarHBondContact O-N 3.34Å; I34-L42 HydrophobicContact CB-CD1 4.17Å; I34-L42 HydrophobicContact CD1-CD1 3.81Å; I34-L42 HydrophobicContact CD1-CG 4.34Å; I34-L42 WeakPolarHBondContact CD1-O 3.29Å; I34-L42 HydrophobicContact CG1-CD1 3.75Å; I34-L42 HydrophobicContact CG1-CG 4.3Å; I34-T45 HydrophobicContact CD1-CG2 3.9Å; I34-A46 HydrophobicContact CD1-CB 3.73Å; I34-A46 VanDerWaalsContact CD1-N 3.33Å; I34-A46 HydrophobicContact CG1-CB 4.31Å; I34-V57 PolarHBondContact N-O 3.44Å; I34-P58 HydrophobicContact CG1-CB 4.49Å; I34-V59 PolarHBondContact O-N 3.1Å
35T98.6Very high97.2Very high0 Ų047.5 Ų47.50%023%0.225CC..EExtended strand (participates in β ladder)trans-111.3150179.781.50000113.2V10 T11 G12 A13 V59 C61 L72 F128V10-T35 PolarHBondContact O-N 3.36Å; V10-T35 VanDerWaalsContact O-N 3.12Å; T11-T35 VanDerWaalsContact CA-OG1 3.26Å; T11-T35 WeakPolarHBondContact CA-OG1 3.23Å; G12-T35 CarbonylContact C-O 3.5Å; G12-T35 VanDerWaalsContact CA-O 3.29Å; G12-T35 WeakPolarHBondContact CA-O 3.48Å; G12-T35 PolarHBondContact N-O 3.44Å; G12-T35 VanDerWaalsContact N-O 3.13Å; G12-T35 PolarHBondContact N-OG1 3.28Å; A13-T35 PolarHBondContact N-O 2.9Å; T35-V59 WeakPolarHBondContact CA-O 3.46Å; T35-C61 HydrophobicContact CG2-CB 4.31Å; T35-L72 HydrophobicContact CG2-CD1 4.46Å; T35-L72 HydrophobicContact CG2-CD2 3.63Å; T35-F128 HydrophobicContact CG2-CE1 4.47Å
36G96.2Very high97.2Very high8 Ų847.8 Ų47.88%0.08223%0.227CC..EExtended strand (participates in β ladder)trans-179.4172.7173.800000111I60 C61G36-I60 WeakPolarHBondContact O-CA 3.22Å; G36-C61 PolarHBondContact O-N 3.34Å
37R94.1Very high97.2Very high155 Ų15550 Ų5059%0.58525%0.246SC*.SBendtrans-92-29.5-178.7-63.2179.3-64.7168.30.8113.2D62R37-D62 HydrophobicContact CG-CB 4.4Å
38Q93.9Very high97.2Very high128 Ų12846.8 Ų46.860%0.59823%0.231SC*.  trans-97.8103.7-171.7-64.7-63.6-7.200110.2K40 T41 L42Q38-K40 VanDerWaalsContact C-N 3.35Å; Q38-K40 PolarHBondContact O-N 2.93Å; Q38-T41 WeakPolarHBondContact CB-OG1 3.45Å; Q38-T41 PolarHBondContact O-N 2.75Å; Q38-T41 PolarHBondContact O-OG1 3.36Å; Q38-L42 WeakPolarHBondContact O-CB 3.32Å; Q38-L42 PolarHBondContact O-N 3.28Å
39E94.4Very high97.2Very high94 Ų9446.2 Ų46.244%0.43923%0.226SC..Hα-helixtrans-54.3-47.2-172.8-175.2179.2-176.100112.7T41 L42 K43 I60E39-T41 PolarHBondContact O-N 2.88Å; E39-L42 PolarHBondContact O-N 3.5Å; E39-K43 HydrophobicContact CG-CD 3.99Å; E39-K43 HydrophobicContact CG-CG 4.35Å; E39-K43 WeakPolarHBondContact O-CB 3.4Å; E39-K43 WeakPolarHBondContact O-CG 3.21Å; E39-K43 PolarHBondContact O-N 2.99Å; E39-K43 WeakPolarHBondContact OE1-CE 3.31Å; E39-K43 IonicContact OE1-NZ 2.63Å; E39-K43 PolarHBondContact OE1-NZ 2.82Å; E39-I60 HydrophobicContact CB-CD1 3.8Å; E39-I60 HydrophobicContact CB-CG1 4.34Å; E39-I60 HydrophobicContact CG-CD1 3.86Å; E39-I60 HydrophobicContact CG-CG1 4.47Å
40K95.8Very high97.2Very high178 Ų17848.5 Ų48.577%0.77424%0.236SC*.Hα-helixtrans-57.9-53.1-177.1-176.4179.8177.7-179.20112.2Q38 L42 K43 Q44Q38-K40 VanDerWaalsContact C-N 3.35Å; Q38-K40 PolarHBondContact O-N 2.93Å; K40-L42 VanDerWaalsContact C-N 3.29Å; K40-L42 PolarHBondContact O-N 2.79Å; K40-K43 PolarHBondContact O-N 2.83Å; K40-Q44 PolarHBondContact O-N 2.75Å
41T94.1Very high97.1Very high40 Ų4056.1 Ų56.125%0.24527%0.272CS..Hα-helixtrans-67.7-31.9-179.9480000112.3Q38 E39 T45Q38-T41 WeakPolarHBondContact CB-OG1 3.45Å; Q38-T41 PolarHBondContact O-N 2.75Å; Q38-T41 PolarHBondContact O-OG1 3.36Å; E39-T41 PolarHBondContact O-N 2.88Å; T41-T45 PolarHBondContact O-N 3.19Å; T41-T45 PolarHBondContact O-OG1 3.36Å
42L96.1Very high97Very high2 Ų259.9 Ų59.91%0.0128%0.283CS..Hα-helixtrans-69.6-45.2177.8-169.368.4000111.3S14 I34 Q38 E39 K40 Q44 T45 A46 P58 V59S14-L42 WeakPolarHBondContact OG-CD1 3.38Å; I34-L42 HydrophobicContact CB-CD1 4.17Å; I34-L42 HydrophobicContact CD1-CD1 3.81Å; I34-L42 HydrophobicContact CD1-CG 4.34Å; I34-L42 WeakPolarHBondContact CD1-O 3.29Å; I34-L42 HydrophobicContact CG1-CD1 3.75Å; I34-L42 HydrophobicContact CG1-CG 4.3Å; Q38-L42 WeakPolarHBondContact O-CB 3.32Å; Q38-L42 PolarHBondContact O-N 3.28Å; E39-L42 PolarHBondContact O-N 3.5Å; K40-L42 VanDerWaalsContact C-N 3.29Å; K40-L42 PolarHBondContact O-N 2.79Å; L42-Q44 VanDerWaalsContact C-N 3.35Å; L42-Q44 PolarHBondContact O-N 2.87Å; L42-T45 PolarHBondContact O-N 2.83Å; L42-A46 PolarHBondContact O-N 2.77Å; L42-P58 HydrophobicContact CD2-CB 4.02Å; L42-P58 HydrophobicContact CG-CB 3.82Å; L42-V59 VanDerWaalsContact CD2-C 3.47Å; L42-V59 VanDerWaalsContact CD2-O 3.29Å; L42-V59 WeakPolarHBondContact CD2-O 3.5Å
43K97.6Very high96.8Very high114 Ų11462.8 Ų62.850%0.49631%0.313SS..Hα-helixtrans-61.5-42.2175-78.4-178.9168.71720112E39 K40 A46 A47 P58E39-K43 HydrophobicContact CG-CD 3.99Å; E39-K43 HydrophobicContact CG-CG 4.35Å; E39-K43 WeakPolarHBondContact O-CB 3.4Å; E39-K43 WeakPolarHBondContact O-CG 3.21Å; E39-K43 PolarHBondContact O-N 2.99Å; E39-K43 WeakPolarHBondContact OE1-CE 3.31Å; E39-K43 IonicContact OE1-NZ 2.63Å; E39-K43 PolarHBondContact OE1-NZ 2.82Å; K40-K43 PolarHBondContact O-N 2.83Å; K43-A46 PolarHBondContact O-N 3.42Å; K43-A47 PolarHBondContact O-N 3.3Å; K43-P58 HydrophobicContact CG-CG 4.35Å
44Q97.5Very high96.8Very high111 Ų11163.5 Ų63.552%0.51932%0.321SS..Hα-helixtrans-58.4-49.2174-178.3-176.2-14.700111.1K40 L42 A46 A47 E48K40-Q44 PolarHBondContact O-N 2.75Å; L42-Q44 VanDerWaalsContact C-N 3.35Å; L42-Q44 PolarHBondContact O-N 2.87Å; Q44-A46 VanDerWaalsContact C-N 3.31Å; Q44-A46 PolarHBondContact O-N 3.43Å; Q44-A47 WeakPolarHBondContact O-CB 3.48Å; Q44-A47 PolarHBondContact O-N 2.84Å; Q44-E48 PolarHBondContact NE2-OE1 3.39Å; Q44-E48 VanDerWaalsContact NE2-OE1 3.09Å; Q44-E48 WeakPolarHBondContact O-CG 3.49Å; Q44-E48 PolarHBondContact O-N 3.35Å; Q44-E48 VanDerWaalsContact O-N 3.1Å
45T97.5Very high96.7Very high4 Ų469 Ų693%0.02535%0.345CS..Hα-helixtrans-63.7-37.5179.4-53.80000111.8A13 S14 R19 I34 T41 L42 A47 E48 V49A13-T45 VanDerWaalsContact O-CG2 3.27Å; A13-T45 WeakPolarHBondContact O-CG2 3.27Å; S14-T45 PolarHBondContact O-OG1 2.98Å; R19-T45 HydrophobicContact CB-CG2 4.13Å; R19-T45 HydrophobicContact CG-CG2 3.71Å; I34-T45 HydrophobicContact CD1-CG2 3.9Å; T41-T45 PolarHBondContact O-N 3.19Å; T41-T45 PolarHBondContact O-OG1 3.36Å; L42-T45 PolarHBondContact O-N 2.83Å; T45-A47 VanDerWaalsContact C-N 3.31Å; T45-A47 PolarHBondContact O-N 3.12Å; T45-E48 PolarHBondContact O-N 3.42Å; T45-V49 HydrophobicContact CG2-CG2 4.2Å; T45-V49 WeakPolarHBondContact O-CB 3.38Å; T45-V49 WeakPolarHBondContact O-CG2 3.35Å; T45-V49 PolarHBondContact O-N 3.3Å
46A98.2Very high96.7Very high5 Ų569.5 Ų69.54%0.04135%0.35CS..Hα-helixtrans-64.4-35.4176.700000112.8I34 L42 K43 Q44 T50 P58I34-A46 HydrophobicContact CD1-CB 3.73Å; I34-A46 VanDerWaalsContact CD1-N 3.33Å; I34-A46 HydrophobicContact CG1-CB 4.31Å; L42-A46 PolarHBondContact O-N 2.77Å; K43-A46 PolarHBondContact O-N 3.42Å; Q44-A46 VanDerWaalsContact C-N 3.31Å; Q44-A46 PolarHBondContact O-N 3.43Å; A46-T50 WeakPolarHBondContact O-CB 3.19Å; A46-T50 PolarHBondContact O-N 2.94Å; A46-T50 PolarHBondContact O-OG1 2.65Å; A46-P58 HydrophobicContact CB-CB 3.85Å; A46-P58 HydrophobicContact CB-CG 3.81Å
47A98.4Very high96.9Very high47 Ų4769.7 Ų69.739%0.38835%0.349SS..Hα-helixtrans-64.3-50.317400000110.6K43 Q44 T45 V49 T50 E51K43-A47 PolarHBondContact O-N 3.3Å; Q44-A47 WeakPolarHBondContact O-CB 3.48Å; Q44-A47 PolarHBondContact O-N 2.84Å; T45-A47 VanDerWaalsContact C-N 3.31Å; T45-A47 PolarHBondContact O-N 3.12Å; A47-V49 VanDerWaalsContact C-N 3.31Å; A47-V49 PolarHBondContact O-N 3.06Å; A47-T50 WeakPolarHBondContact O-CA 3.34Å; A47-T50 WeakPolarHBondContact O-CB 3.14Å; A47-T50 PolarHBondContact O-N 3.23Å; A47-E51 WeakPolarHBondContact O-CG 3.2Å; A47-E51 PolarHBondContact O-N 3.25Å
48E98.1Very high97.1Very high40 Ų4064.4 Ų64.419%0.18734%0.335CS..Hα-helixtrans-59.8-40.4177-65.3169.9-17100112.2R19 L23 Q44 T45 E51 R52R19-E48 IonicContact CZ-OE2 3.25Å; R19-E48 IonicContact NE-OE2 3.81Å; R19-E48 PolarHBondContact NE-OE2 3.34Å; R19-E48 IonicContact NH2-OE1 2.81Å; R19-E48 IonicContact NH2-OE2 3.48Å; R19-E48 PolarHBondContact NH2-OE2 3.3Å; L23-E48 HydrophobicContact CD2-CB 3.95Å; Q44-E48 PolarHBondContact NE2-OE1 3.39Å; Q44-E48 VanDerWaalsContact NE2-OE1 3.09Å; Q44-E48 WeakPolarHBondContact O-CG 3.49Å; Q44-E48 PolarHBondContact O-N 3.35Å; Q44-E48 VanDerWaalsContact O-N 3.1Å; T45-E48 PolarHBondContact O-N 3.42Å; E48-E51 PolarHBondContact O-N 2.77Å; E48-R52 WeakPolarHBondContact O-CG 3.41Å; E48-R52 PolarHBondContact O-N 3.04Å
49V98.1Very high97.3Very high0 Ų059 Ų590%031%0.311CS..Hα-helixtrans-57.8-50.2172165.30000109.5A22 L23 S26 V32 T45 A47 E51 R52 G56A22-V49 HydrophobicContact CB-CG2 3.78Å; L23-V49 HydrophobicContact CD2-CG2 4.03Å; S26-V49 VanDerWaalsContact CB-O 3.26Å; S26-V49 WeakPolarHBondContact CB-O 3.38Å; S26-V49 PolarHBondContact OG-O 2.93Å; V32-V49 HydrophobicContact CB-CG1 4.14Å; V32-V49 HydrophobicContact CG2-CG1 4.38Å; T45-V49 HydrophobicContact CG2-CG2 4.2Å; T45-V49 WeakPolarHBondContact O-CB 3.38Å; T45-V49 WeakPolarHBondContact O-CG2 3.35Å; T45-V49 PolarHBondContact O-N 3.3Å; A47-V49 VanDerWaalsContact C-N 3.31Å; A47-V49 PolarHBondContact O-N 3.06Å; V49-E51 VanDerWaalsContact C-N 3.34Å; V49-E51 PolarHBondContact O-N 2.81Å; V49-R52 WeakPolarHBondContact O-CB 3.2Å; V49-R52 PolarHBondContact O-N 3.1Å; V49-R52 VanDerWaalsContact O-N 3.13Å; V49-G56 VanDerWaalsContact CG1-CA 3.44Å
50T98.2Very high97.5Very high68 Ų6858.9 Ų58.942%0.41731%0.312SS..Hα-helixtrans-62.9-39.9-179.6-54.60000112.3A46 A47 R52 G53 G54 G56A46-T50 WeakPolarHBondContact O-CB 3.19Å; A46-T50 PolarHBondContact O-N 2.94Å; A46-T50 PolarHBondContact O-OG1 2.65Å; A47-T50 WeakPolarHBondContact O-CA 3.34Å; A47-T50 WeakPolarHBondContact O-CB 3.14Å; A47-T50 PolarHBondContact O-N 3.23Å; T50-R52 PolarHBondContact O-N 2.97Å; T50-G53 PolarHBondContact O-N 2.8Å; T50-G54 WeakPolarHBondContact CA-O 3.35Å; T50-G56 PolarHBondContact OG1-N 3.31Å
51E97.9Very high97.6Very high160 Ų16050.4 Ų50.475%0.74828%0.276SS*.Hα-helixtrans-61.7-25.4176.3-73171.1-174.600113.2A47 E48 V49 G53A47-E51 WeakPolarHBondContact O-CG 3.2Å; A47-E51 PolarHBondContact O-N 3.25Å; E48-E51 PolarHBondContact O-N 2.77Å; V49-E51 VanDerWaalsContact C-N 3.34Å; V49-E51 PolarHBondContact O-N 2.81Å; E51-G53 VanDerWaalsContact C-N 3.28Å; E51-G53 PolarHBondContact O-N 2.78Å
52R95.9Very high97.7Very high103 Ų10349.9 Ų49.939%0.38927%0.271SS..THydrogen-bonded Turntrans-77.6-6.2178.2-71.4-70.6-106-113.2-7.1114.6L23 E27 E48 V49 T50 E227L23-R52 HydrophobicContact CD2-CG 4Å; E27-R52 WeakPolarHBondContact CA-O 3.34Å; E27-R52 IonicContact OE2-NE 2.72Å; E27-R52 IonicContact OE2-NH2 2.94Å; E48-R52 WeakPolarHBondContact O-CG 3.41Å; E48-R52 PolarHBondContact O-N 3.04Å; V49-R52 WeakPolarHBondContact O-CB 3.2Å; V49-R52 PolarHBondContact O-N 3.1Å; V49-R52 VanDerWaalsContact O-N 3.13Å; T50-R52 PolarHBondContact O-N 2.97Å; R52-E227 IonicContact CZ-OE2 3.91Å; R52-E227 VanDerWaalsContact NH2-CD 3.34Å; R52-E227 IonicContact NH2-OE1 2.75Å; R52-E227 PolarHBondContact NH2-OE1 3.08Å; R52-E227 VanDerWaalsContact NH2-OE1 3.11Å; R52-E227 IonicContact NH2-OE2 2.65Å; R52-E227 PolarHBondContact NH2-OE2 2.95Å
53G95.9Very high97.7Very high62 Ų6250.2 Ų50.264%0.63927%0.273SS*.THydrogen-bonded Turntrans118.6-10.1169.700000115.9S26 T50 E51S26-G53 CarbonylContact O-C 3.3Å; T50-G53 PolarHBondContact O-N 2.8Å; E51-G53 VanDerWaalsContact C-N 3.28Å; E51-G53 PolarHBondContact O-N 2.78Å
54G96.9Very high97.6Very high15 Ų1546.7 Ų46.716%0.15526%0.262CS..SBendtrans-101.3-156.7170.900000112.1S26 A30 T50S26-G54 WeakPolarHBondContact O-CA 3.39Å; S26-G54 PolarHBondContact O-N 3.26Å; S26-G54 WeakPolarHBondContact OG-CA 3.26Å; S26-G54 PolarHBondContact OG-N 3.39Å; A30-G54 VanDerWaalsContact O-CA 3.31Å; A30-G54 WeakPolarHBondContact O-CA 3.33Å; T50-G54 WeakPolarHBondContact CA-O 3.35Å
55K98.4Very high97.6Very high115 Ų11546.4 Ų46.450%0.526%0.259SS..EExtended strand (participates in β ladder)trans-122.8113.1178.4-178.3-179.4179.1-177.70110.8A30 T31 V32 V57A30-K55 PolarHBondContact O-N 3.37Å; T31-K55 CarbonylContact C-O 3.59Å; T31-K55 WeakPolarHBondContact CA-O 3.38Å; T31-K55 HydrophobicContact CG2-CB 4.28Å; T31-K55 HydrophobicContact CG2-CD 4.26Å; T31-K55 HydrophobicContact CG2-CG 4.43Å; V32-K55 PolarHBondContact N-O 3.37Å; K55-V57 HydrophobicContact CD-CG2 4.44Å; K55-V57 HydrophobicContact CG-CG2 4.22Å
56G98.4Very high97.6Very high11 Ų1147 Ų4711%0.11326%0.264CS..EExtended strand (participates in β ladder)trans-85.4122.9173.900000112.1V49 T50V49-G56 VanDerWaalsContact CG1-CA 3.44Å; T50-G56 PolarHBondContact OG1-N 3.31Å
57V98.7Very high97.6Very high11 Ų1153.2 Ų53.27%0.06729%0.292CS..EExtended strand (participates in β ladder)trans-115.2103.3176.7-173.40000109.3T31 V32 Y33 I34 K55 V59T31-V57 HydrophobicContact CG2-CG2 4.11Å; V32-V57 PolarHBondContact O-N 2.86Å; Y33-V57 WeakPolarHBondContact CA-O 3.2Å; Y33-V57 HydrophobicContact CD1-CB 3.83Å; Y33-V57 HydrophobicContact CD1-CG1 3.7Å; Y33-V57 HydrophobicContact CE1-CB 4Å; Y33-V57 HydrophobicContact CE1-CG1 3.6Å; Y33-V57 HydrophobicContact CE1-CG2 4.4Å; Y33-V57 HydrophobicContact CG-CB 4.21Å; I34-V57 PolarHBondContact N-O 3.44Å; K55-V57 HydrophobicContact CD-CG2 4.44Å; K55-V57 HydrophobicContact CG-CG2 4.22Å; V57-V59 HydrophobicContact CG1-CG2 4.41Å
58P98.6Very high97.6Very high44 Ų4453.3 Ų53.329%0.28629%0.286SS..EExtended strand (participates in β ladder)trans-75.1131.1178.929.7-30.1000110.5I34 L42 K43 A46I34-P58 HydrophobicContact CG1-CB 4.49Å; L42-P58 HydrophobicContact CD2-CB 4.02Å; L42-P58 HydrophobicContact CG-CB 3.82Å; K43-P58 HydrophobicContact CG-CG 4.35Å; A46-P58 HydrophobicContact CB-CB 3.85Å; A46-P58 HydrophobicContact CB-CG 3.81Å
59V98.5Very high97.6Very high14 Ų1451.4 Ų51.49%0.08528%0.277CS..EExtended strand (participates in β ladder)trans-130115.1173.8-173.30000110.3Y33 I34 T35 L42 V57 C61 L72Y33-V59 HydrophobicContact CD1-CG2 3.91Å; I34-V59 PolarHBondContact O-N 3.1Å; T35-V59 WeakPolarHBondContact CA-O 3.46Å; L42-V59 VanDerWaalsContact CD2-C 3.47Å; L42-V59 VanDerWaalsContact CD2-O 3.29Å; L42-V59 WeakPolarHBondContact CD2-O 3.5Å; V57-V59 HydrophobicContact CG1-CG2 4.41Å; V59-C61 PolarHBondContact O-N 3.13Å; V59-L72 HydrophobicContact CB-CD1 3.83Å; V59-L72 HydrophobicContact CG1-CB 4.47Å; V59-L72 HydrophobicContact CG1-CD1 3.72Å; V59-L72 HydrophobicContact CG2-CD1 3.71Å
60I98.2Very high97.6Very high93 Ų9356 Ų5648%0.47730%0.297SS..EExtended strand (participates in β ladder)trans-65.9119.1171.6-57.3173.6000107.3G36 E39G36-I60 WeakPolarHBondContact O-CA 3.22Å; E39-I60 HydrophobicContact CB-CD1 3.8Å; E39-I60 HydrophobicContact CB-CG1 4.34Å; E39-I60 HydrophobicContact CG-CD1 3.86Å; E39-I60 HydrophobicContact CG-CG1 4.47Å
61C97.8Very high97.7Very high0 Ų055.1 Ų55.10%030%0.297CS..  trans-152.4117.9-178.1170.40000108.7T35 G36 V59 D68T35-C61 HydrophobicContact CG2-CB 4.31Å; G36-C61 PolarHBondContact O-N 3.34Å; V59-C61 PolarHBondContact O-N 3.13Å; C61-D68 HydrophobicContact CB-CB 4.39Å
62D96.8Very high97.7Very high29 Ų2947.6 Ų47.616%0.15526%0.262CS..  trans-81.1112.5167.5-169.4-24.4000109.2R37 T64 K65 D68R37-D62 HydrophobicContact CG-CB 4.4Å; D62-T64 VanDerWaalsContact CG-OG1 3.23Å; D62-T64 PolarHBondContact O-N 2.89Å; D62-T64 WeakPolarHBondContact OD1-CB 3.46Å; D62-T64 PolarHBondContact OD1-N 2.81Å; D62-T64 PolarHBondContact OD1-OG1 2.69Å; D62-T64 PolarHBondContact OD2-OG1 3.48Å; D62-K65 HydrophobicContact CB-CB 4.36Å; D62-K65 HydrophobicContact CB-CD 3.99Å; D62-K65 HydrophobicContact CB-CG 4.01Å; D62-K65 PolarHBondContact O-N 3.06Å; D62-D68 WeakPolarHBondContact CB-OD2 3.5Å; D62-D68 PolarHBondContact N-OD2 2.78Å
63S95.4Very high97.8Very high8 Ų843 Ų436%0.05625%0.245CC..THydrogen-bonded Turntrans-64.5-8.4-178.8-56.10000114.1G124 F128S63-G124 WeakPolarHBondContact O-CA 3.38Å; S63-F128 WeakPolarHBondContact OG-CE2 3.3Å
64T95.7Very high98Very high41 Ų4144.7 Ų44.725%0.25224%0.236SC..THydrogen-bonded Turntrans-87.5-18.7173.668.60000112.8D62 N119 T120 R123D62-T64 VanDerWaalsContact CG-OG1 3.23Å; D62-T64 PolarHBondContact O-N 2.89Å; D62-T64 WeakPolarHBondContact OD1-CB 3.46Å; D62-T64 PolarHBondContact OD1-N 2.81Å; D62-T64 PolarHBondContact OD1-OG1 2.69Å; D62-T64 PolarHBondContact OD2-OG1 3.48Å; T64-N119 HydrophobicContact CG2-CB 4.12Å; T64-T120 WeakPolarHBondContact CG2-OG1 3.33Å; T64-R123 PolarHBondContact O-NH1 3.44Å
65K97.8Very high98.1Very high105 Ų10548.2 Ų48.246%0.45725%0.245SC..  trans-99.1122-177.5-60.8-176.6-174.1177.20110.8D62 E67 D68 I69D62-K65 HydrophobicContact CB-CB 4.36Å; D62-K65 HydrophobicContact CB-CD 3.99Å; D62-K65 HydrophobicContact CB-CG 4.01Å; D62-K65 PolarHBondContact O-N 3.06Å; K65-E67 PolarHBondContact O-N 3.19Å; K65-D68 HydrophobicContact CB-CB 4.18Å; K65-I69 WeakPolarHBondContact O-CG1 3.44Å; K65-I69 PolarHBondContact O-N 2.69Å
66A97.3Very high98.1Very high16 Ų1642.8 Ų42.813%0.13222%0.221CC..Hα-helixtrans-67.5-31.5-176.800000111.9I69 K70 F127A66-I69 PolarHBondContact O-N 3.3Å; A66-K70 WeakPolarHBondContact O-CB 3.41Å; A66-K70 PolarHBondContact O-N 2.86Å; A66-F127 HydrophobicContact CB-CD1 3.77Å; A66-F127 HydrophobicContact CB-CE1 3.59Å
67E98.3Very high98.1Very high136 Ų13648.3 Ų48.364%0.63624%0.242SC*.Hα-helixtrans-68.5-44.3-177-64.765.6-150.400110.6K65 I69 K70 A71K65-E67 PolarHBondContact O-N 3.19Å; E67-I69 VanDerWaalsContact C-N 3.34Å; E67-I69 PolarHBondContact O-N 3.03Å; E67-K70 PolarHBondContact O-N 3.02Å; E67-A71 VanDerWaalsContact O-CB 3.29Å; E67-A71 WeakPolarHBondContact O-CB 3.35Å; E67-A71 PolarHBondContact O-N 2.77Å
68D98.4Very high98.1Very high49 Ų4955.3 Ų55.326%0.26227%0.274SS..Hα-helixtrans-60.5-44.4174.4-71.824.4000110.9C61 D62 K65 A71 L72C61-D68 HydrophobicContact CB-CB 4.39Å; D62-D68 WeakPolarHBondContact CB-OD2 3.5Å; D62-D68 PolarHBondContact N-OD2 2.78Å; K65-D68 HydrophobicContact CB-CB 4.18Å; D68-A71 PolarHBondContact O-N 3.28Å; D68-L72 PolarHBondContact O-N 3.26Å
69I98.6Very high98.1Very high0 Ų057.5 Ų57.50%028%0.28CS..Hα-helixtrans-65.8-45.6179-60.5172.7000110.1K65 A66 E67 A71 L72 F73 F127 F128 Y131K65-I69 WeakPolarHBondContact O-CG1 3.44Å; K65-I69 PolarHBondContact O-N 2.69Å; A66-I69 PolarHBondContact O-N 3.3Å; E67-I69 VanDerWaalsContact C-N 3.34Å; E67-I69 PolarHBondContact O-N 3.03Å; I69-A71 PolarHBondContact O-N 3.04Å; I69-L72 WeakPolarHBondContact O-CB 3.36Å; I69-L72 PolarHBondContact O-N 2.89Å; I69-F73 HydrophobicContact CG2-CD2 4.01Å; I69-F73 HydrophobicContact CG2-CE2 3.81Å; I69-F73 VanDerWaalsContact O-CD2 3.24Å; I69-F73 WeakPolarHBondContact O-CD2 3.35Å; I69-F73 PolarHBondContact O-N 3.04Å; I69-F127 HydrophobicContact CD1-CB 3.62Å; I69-F127 HydrophobicContact CD1-CG 4.47Å; I69-F127 HydrophobicContact CG2-CB 4.48Å; I69-F128 HydrophobicContact CB-CE1 4.45Å; I69-F128 HydrophobicContact CD1-CD2 4.16Å; I69-F128 HydrophobicContact CD1-CE2 3.93Å; I69-F128 HydrophobicContact CD1-CZ 4.15Å; I69-F128 HydrophobicContact CG1-CD1 4.48Å; I69-F128 HydrophobicContact CG1-CE1 4Å; I69-F128 HydrophobicContact CG1-CE2 4.07Å; I69-F128 HydrophobicContact CG1-CZ 3.76Å; I69-F128 HydrophobicContact CG2-CD1 3.78Å; I69-F128 HydrophobicContact CG2-CE1 3.98Å; I69-F128 HydrophobicContact CG2-CG 4.15Å; I69-Y131 HydrophobicContact CG2-CD2 3.76Å; I69-Y131 HydrophobicContact CG2-CE2 4.36Å
70K98.7Very high98.1Very high95 Ų9559 Ų5941%0.41329%0.286SS..Hα-helixtrans-58.3-48.8176.5179.8-179.8168.2-173.50111A66 E67 L72 F73 E74 Y131A66-K70 WeakPolarHBondContact O-CB 3.41Å; A66-K70 PolarHBondContact O-N 2.86Å; E67-K70 PolarHBondContact O-N 3.02Å; K70-L72 VanDerWaalsContact C-N 3.3Å; K70-L72 PolarHBondContact O-N 3.11Å; K70-F73 PolarHBondContact O-N 3.15Å; K70-E74 WeakPolarHBondContact CE-OE1 3.28Å; K70-E74 HydrophobicContact CG-CG 4.45Å; K70-E74 IonicContact NZ-OE1 2.78Å; K70-E74 WeakPolarHBondContact O-CG 3.38Å; K70-E74 PolarHBondContact O-N 2.83Å; K70-Y131 HydrophobicContact CB-CE1 3.92Å; K70-Y131 HydrophobicContact CB-CE2 4.3Å; K70-Y131 HydrophobicContact CD-CE1 4.41Å; K70-Y131 HydrophobicContact CG-CE1 3.8Å
71A98.7Very high98Very high51 Ų5162.2 Ų62.242%0.42131%0.305SS..Hα-helixtrans-60.6-38.3179.500000112.2E67 D68 I69 E74 R75E67-A71 VanDerWaalsContact O-CB 3.29Å; E67-A71 WeakPolarHBondContact O-CB 3.35Å; E67-A71 PolarHBondContact O-N 2.77Å; D68-A71 PolarHBondContact O-N 3.28Å; I69-A71 PolarHBondContact O-N 3.04Å; A71-E74 PolarHBondContact O-N 3.01Å; A71-R75 WeakPolarHBondContact O-CB 3.27Å; A71-R75 PolarHBondContact O-N 3.39Å
72L98.8Very high98Very high2 Ų263.1 Ų63.11%0.0131%0.314CS..Hα-helixtrans-56.9-51.1173.3168.768.6000111.7V9 Y33 T35 V59 D68 I69 K70 R75 I76 F128V9-L72 HydrophobicContact CG1-CD2 4.26Å; Y33-L72 HydrophobicContact CD1-CD1 4.35Å; T35-L72 HydrophobicContact CG2-CD1 4.46Å; T35-L72 HydrophobicContact CG2-CD2 3.63Å; V59-L72 HydrophobicContact CB-CD1 3.83Å; V59-L72 HydrophobicContact CG1-CB 4.47Å; V59-L72 HydrophobicContact CG1-CD1 3.72Å; V59-L72 HydrophobicContact CG2-CD1 3.71Å; D68-L72 PolarHBondContact O-N 3.26Å; I69-L72 WeakPolarHBondContact O-CB 3.36Å; I69-L72 PolarHBondContact O-N 2.89Å; K70-L72 VanDerWaalsContact C-N 3.3Å; K70-L72 PolarHBondContact O-N 3.11Å; L72-R75 WeakPolarHBondContact O-CB 3.39Å; L72-R75 PolarHBondContact O-N 3.42Å; L72-I76 HydrophobicContact CD1-CD1 3.84Å; L72-I76 HydrophobicContact CD1-CG1 4.29Å; L72-I76 HydrophobicContact CG-CD1 3.88Å; L72-I76 WeakPolarHBondContact O-CG1 3.33Å; L72-I76 PolarHBondContact O-N 3.25Å; L72-F128 HydrophobicContact CD2-CD1 4.26Å; L72-F128 HydrophobicContact CD2-CE1 3.67Å
73F98.8Very high98.1Very high7 Ų765.9 Ų65.93%0.03132%0.322CS..Hα-helixtrans-75-28.5-176.8-72.1-77.6000113.3V9 I69 K70 R75 I76 K77 L84 L87 F128 Y131 L135V9-F73 HydrophobicContact CG2-CE1 4.37Å; I69-F73 HydrophobicContact CG2-CD2 4.01Å; I69-F73 HydrophobicContact CG2-CE2 3.81Å; I69-F73 VanDerWaalsContact O-CD2 3.24Å; I69-F73 WeakPolarHBondContact O-CD2 3.35Å; I69-F73 PolarHBondContact O-N 3.04Å; K70-F73 PolarHBondContact O-N 3.15Å; F73-R75 VanDerWaalsContact C-N 3.34Å; F73-I76 HydrophobicContact CD1-CD1 4.02Å; F73-I76 HydrophobicContact CE1-CD1 4.33Å; F73-I76 PolarHBondContact O-N 3.36Å; F73-K77 VanDerWaalsContact O-CB 3.3Å; F73-K77 WeakPolarHBondContact O-CB 3.45Å; F73-K77 PolarHBondContact O-N 3.19Å; F73-L84 HydrophobicContact CD1-CD2 4.22Å; F73-L84 HydrophobicContact CE1-CD2 3.69Å; F73-L87 HydrophobicContact CZ-CD1 4.29Å; F73-F128 HydrophobicContact CE2-CB 4.42Å; F73-F128 AromaticContact CE2-CD1 3.65Å; F73-F128 HydrophobicContact CE2-CD1 3.65Å; F73-F128 HydrophobicContact CE2-CE1 4.46Å; F73-F128 HydrophobicContact CE2-CG 4.47Å; F73-F128 HydrophobicContact CZ-CB 4.48Å; F73-F128 AromaticContact CZ-CD1 3.99Å; F73-F128 HydrophobicContact CZ-CD1 3.99Å; F73-F128 WeakPolarHBondContact CZ-O 3.38Å; F73-Y131 HydrophobicContact CD2-CG 4.08Å; F73-L135 HydrophobicContact CD1-CD1 4.09Å
74E98.7Very high98.2Very high96 Ų9665.5 Ų65.545%0.44932%0.319SS..Hα-helixtrans-62.2-43.7168.8-75177168.200111K70 A71 K77 Q78K70-E74 WeakPolarHBondContact CE-OE1 3.28Å; K70-E74 HydrophobicContact CG-CG 4.45Å; K70-E74 IonicContact NZ-OE1 2.78Å; K70-E74 WeakPolarHBondContact O-CG 3.38Å; K70-E74 PolarHBondContact O-N 2.83Å; A71-E74 PolarHBondContact O-N 3.01Å; E74-K77 PolarHBondContact O-N 3.23Å; E74-Q78 VanDerWaalsContact O-CG 3.31Å; E74-Q78 WeakPolarHBondContact O-CG 3.28Å; E74-Q78 PolarHBondContact O-N 2.8Å; E74-Q78 VanDerWaalsContact O-N 3.08Å
75R98.7Very high98.4Very high90 Ų9063.6 Ų63.634%0.3431%0.308SS..Hα-helixtrans-62.7-47.9174.6-179.6179.3177.3-166.5-6.5112.2A71 L72 F73 K77 Q78 E79A71-R75 WeakPolarHBondContact O-CB 3.27Å; A71-R75 PolarHBondContact O-N 3.39Å; L72-R75 WeakPolarHBondContact O-CB 3.39Å; L72-R75 PolarHBondContact O-N 3.42Å; F73-R75 VanDerWaalsContact C-N 3.34Å; R75-K77 VanDerWaalsContact C-N 3.29Å; R75-K77 PolarHBondContact O-N 3.11Å; R75-Q78 PolarHBondContact O-N 3.25Å; R75-Q78 VanDerWaalsContact O-N 3.16Å; R75-E79 HydrophobicContact CG-CG 4.18Å; R75-E79 IonicContact CZ-OE1 3.15Å; R75-E79 VanDerWaalsContact CZ-OE1 3.29Å; R75-E79 IonicContact NE-OE1 2.79Å; R75-E79 PolarHBondContact NE-OE1 2.86Å; R75-E79 IonicContact NE-OE2 2.73Å; R75-E79 IonicContact NH2-OE1 3.97Å; R75-E79 PolarHBondContact NH2-OE1 2.91Å; R75-E79 IonicContact NH2-OE2 3.41Å; R75-E79 WeakPolarHBondContact O-CB 3.24Å; R75-E79 WeakPolarHBondContact O-CG 3.48Å; R75-E79 PolarHBondContact O-N 2.88Å
76I98.7Very high98.4Very high0 Ų058.6 Ų58.60%029%0.286CS..Hα-helixtrans-58-45.8177-69163.4000110.2V7 V9 Y33 L72 F73 Q78 E79 Q80 L135V7-I76 HydrophobicContact CG1-CG2 4.16Å; V9-I76 HydrophobicContact CG2-CD1 3.36Å; Y33-I76 HydrophobicContact CD1-CD1 4.36Å; Y33-I76 HydrophobicContact CD1-CG1 3.81Å; Y33-I76 HydrophobicContact CD2-CD1 4.37Å; Y33-I76 HydrophobicContact CD2-CG1 4Å; Y33-I76 HydrophobicContact CE1-CG1 3.78Å; Y33-I76 HydrophobicContact CE2-CG1 3.99Å; Y33-I76 HydrophobicContact CG-CD1 4.15Å; Y33-I76 HydrophobicContact CG-CG1 3.93Å; L72-I76 HydrophobicContact CD1-CD1 3.84Å; L72-I76 HydrophobicContact CD1-CG1 4.29Å; L72-I76 HydrophobicContact CG-CD1 3.88Å; L72-I76 WeakPolarHBondContact O-CG1 3.33Å; L72-I76 PolarHBondContact O-N 3.25Å; F73-I76 HydrophobicContact CD1-CD1 4.02Å; F73-I76 HydrophobicContact CE1-CD1 4.33Å; F73-I76 PolarHBondContact O-N 3.36Å; I76-Q78 VanDerWaalsContact C-N 3.27Å; I76-Q78 PolarHBondContact O-N 3.03Å; I76-E79 PolarHBondContact O-N 3.31Å; I76-Q80 HydrophobicContact CG2-CB 4.48Å; I76-Q80 HydrophobicContact CG2-CG 4.29Å; I76-Q80 VanDerWaalsContact O-CB 3.27Å; I76-Q80 WeakPolarHBondContact O-CB 3.39Å; I76-Q80 PolarHBondContact O-N 2.91Å; I76-L135 HydrophobicContact CG2-CD1 4.12Å
77K98.6Very high98.5Very high128 Ų12857.8 Ų57.856%0.55728%0.28SS*.Hα-helixtrans-56.8-42.5177.9-177.6179.1179.4-178.10111.9F73 E74 R75 D81 G82 L135F73-K77 VanDerWaalsContact O-CB 3.3Å; F73-K77 WeakPolarHBondContact O-CB 3.45Å; F73-K77 PolarHBondContact O-N 3.19Å; E74-K77 PolarHBondContact O-N 3.23Å; R75-K77 VanDerWaalsContact C-N 3.29Å; R75-K77 PolarHBondContact O-N 3.11Å; K77-D81 WeakPolarHBondContact O-CA 3.29Å; K77-D81 PolarHBondContact O-N 3.04Å; K77-G82 PolarHBondContact O-N 2.91Å; K77-L135 HydrophobicContact CB-CD2 4.08Å; K77-L135 HydrophobicContact CD-CD2 4.19Å; K77-L135 HydrophobicContact CG-CD2 4.14Å
78Q98.6Very high98.5Very high158 Ų15851.3 Ų51.374%0.73825%0.249SC*.Hα-helixtrans-71.5-45.8178.8-69.4168.4600112.5E74 R75 I76E74-Q78 VanDerWaalsContact O-CG 3.31Å; E74-Q78 WeakPolarHBondContact O-CG 3.28Å; E74-Q78 PolarHBondContact O-N 2.8Å; E74-Q78 VanDerWaalsContact O-N 3.08Å; R75-Q78 PolarHBondContact O-N 3.25Å; R75-Q78 VanDerWaalsContact O-N 3.16Å; I76-Q78 VanDerWaalsContact C-N 3.27Å; I76-Q78 PolarHBondContact O-N 3.03Å
79E98.6Very high98.6Very high89 Ų8949 Ų4942%0.41624%0.237SC..Hα-helixtrans-75.6-23.8-175-70.6-177.6171.600113.4Y33 R75 I76Y33-E79 VanDerWaalsContact CE1-OE2 3.26Å; Y33-E79 WeakPolarHBondContact CE1-OE2 3.48Å; Y33-E79 VanDerWaalsContact CZ-OE2 3.31Å; Y33-E79 WeakPolarHBondContact OH-CB 3.27Å; Y33-E79 PolarHBondContact OH-OE2 3.04Å; R75-E79 HydrophobicContact CG-CG 4.18Å; R75-E79 IonicContact CZ-OE1 3.15Å; R75-E79 VanDerWaalsContact CZ-OE1 3.29Å; R75-E79 IonicContact NE-OE1 2.79Å; R75-E79 PolarHBondContact NE-OE1 2.86Å; R75-E79 IonicContact NE-OE2 2.73Å; R75-E79 IonicContact NH2-OE1 3.97Å; R75-E79 PolarHBondContact NH2-OE1 2.91Å; R75-E79 IonicContact NH2-OE2 3.41Å; R75-E79 WeakPolarHBondContact O-CB 3.24Å; R75-E79 WeakPolarHBondContact O-CG 3.48Å; R75-E79 PolarHBondContact O-N 2.88Å; I76-E79 PolarHBondContact O-N 3.31Å
80Q98.4Very high98.5Very high45 Ų4549.8 Ų49.821%0.2124%0.241CC..THydrogen-bonded Turntrans-122.815.7-171.7-52.7-57.4-39.100113.5V7 Y33 I76 G82 R83V7-Q80 HydrophobicContact CG1-CB 4.46Å; V7-Q80 HydrophobicContact CG1-CG 3.91Å; V7-Q80 HydrophobicContact CG2-CB 3.96Å; V7-Q80 HydrophobicContact CG2-CG 3.79Å; Y33-Q80 HydrophobicContact CE2-CG 3.97Å; Y33-Q80 WeakPolarHBondContact OH-CG 3.37Å; Y33-Q80 PolarHBondContact OH-NE2 3.29Å; I76-Q80 HydrophobicContact CG2-CB 4.48Å; I76-Q80 HydrophobicContact CG2-CG 4.29Å; I76-Q80 VanDerWaalsContact O-CB 3.27Å; I76-Q80 WeakPolarHBondContact O-CB 3.39Å; I76-Q80 PolarHBondContact O-N 2.91Å; Q80-G82 VanDerWaalsContact C-N 3.25Å; Q80-G82 PolarHBondContact O-N 2.71Å; Q80-R83 HydrophobicContact CB-CB 4.33Å; Q80-R83 WeakPolarHBondContact O-CB 3.47Å; Q80-R83 PolarHBondContact O-N 2.83Å
81D97.3Very high98.1Very high161 Ų16145.4 Ų45.486%0.86122%0.222SC*.THydrogen-bonded Turntrans51.844.4-178.6-164.132.6000112.9K77 R83K77-D81 WeakPolarHBondContact O-CA 3.29Å; K77-D81 PolarHBondContact O-N 3.04Å; D81-R83 VanDerWaalsContact C-N 3.26Å; D81-R83 PolarHBondContact O-N 3.4Å
82G96.9Very high97.6Very high19 Ų1945.9 Ų45.920%0.19621%0.214CC..THydrogen-bonded Turntrans76.41-179.700000116K77 Q80K77-G82 PolarHBondContact O-N 2.91Å; Q80-G82 VanDerWaalsContact C-N 3.25Å; Q80-G82 PolarHBondContact O-N 2.71Å
83R98.4Very high97Very high87 Ų8747.7 Ų47.733%0.32823%0.229SC..  trans-75.6132.4-178.5-172.6174.9179.71486.9113.1G5 V7 Q80 D81 D85G5-R83 VanDerWaalsContact O-CZ 3.27Å; G5-R83 PolarHBondContact O-NE 3.22Å; V7-R83 HydrophobicContact CG2-CB 4.36Å; V7-R83 HydrophobicContact CG2-CG 4.19Å; Q80-R83 HydrophobicContact CB-CB 4.33Å; Q80-R83 WeakPolarHBondContact O-CB 3.47Å; Q80-R83 PolarHBondContact O-N 2.83Å; D81-R83 VanDerWaalsContact C-N 3.26Å; D81-R83 PolarHBondContact O-N 3.4Å; R83-D85 IonicContact CZ-OD1 3.77Å; R83-D85 IonicContact CZ-OD2 2.69Å; R83-D85 IonicContact NE-OD1 3.74Å; R83-D85 PolarHBondContact NE-OD1 3.38Å; R83-D85 IonicContact NE-OD2 3.49Å; R83-D85 PolarHBondContact NE-OD2 2.86Å; R83-D85 IonicContact NH2-OD1 3.61Å; R83-D85 PolarHBondContact NH2-OD1 3.13Å; R83-D85 IonicContact NH2-OD2 3.21Å
84L98.9Very high96.4Very high0 Ų047.4 Ų47.40%023%0.228CC..  trans-149115167.317866.3000110V7 V9 F73 L135 M136V7-L84 HydrophobicContact CG1-CD1 4.25Å; V9-L84 HydrophobicContact CB-CD1 4.43Å; V9-L84 HydrophobicContact CG2-CD1 3.68Å; F73-L84 HydrophobicContact CD1-CD2 4.22Å; F73-L84 HydrophobicContact CE1-CD2 3.69Å; L84-L135 HydrophobicContact CB-CB 4.01Å; L84-L135 HydrophobicContact CB-CD1 4.12Å; L84-L135 HydrophobicContact CD2-CD1 4.37Å; L84-M136 HydrophobicContact CB-CG 4.47Å; L84-M136 HydrophobicContact CD2-CE 3.79Å; L84-M136 HydrophobicContact CD2-CG 4.31Å; L84-M136 HydrophobicContact CG-CE 3.75Å; L84-M136 HydrophobicContact CG-CG 4.35Å; L84-M136 WeakPolarHBondContact O-CG 3.21Å
85D98.9Very high95.9Very high1 Ų144.2 Ų44.21%0.00522%0.215CC..  trans-95.3-41.5-175.4-55.7-88.3000112.4W6 V7 R83 Q139 H141 G142 F143W6-D85 VanDerWaalsContact CA-OD2 3.24Å; W6-D85 WeakPolarHBondContact CA-OD2 3.46Å; W6-D85 HydrophobicContact CB-CB 4.1Å; W6-D85 HydrophobicContact CD2-CB 3.89Å; W6-D85 HydrophobicContact CE3-CB 3.47Å; W6-D85 VanDerWaalsContact CE3-CB 3.47Å; W6-D85 HydrophobicContact CG-CB 4.2Å; W6-D85 HydrophobicContact CZ3-CB 4.16Å; V7-D85 PolarHBondContact N-OD2 3.38Å; V7-D85 PolarHBondContact O-N 2.97Å; R83-D85 IonicContact CZ-OD1 3.77Å; R83-D85 IonicContact CZ-OD2 2.69Å; R83-D85 IonicContact NE-OD1 3.74Å; R83-D85 PolarHBondContact NE-OD1 3.38Å; R83-D85 IonicContact NE-OD2 3.49Å; R83-D85 PolarHBondContact NE-OD2 2.86Å; R83-D85 IonicContact NH2-OD1 3.61Å; R83-D85 PolarHBondContact NH2-OD1 3.13Å; R83-D85 IonicContact NH2-OD2 3.21Å; D85-Q139 PolarHBondContact OD1-NE2 2.54Å; D85-H141 IonicContact OD1-CE1 3.26Å; D85-H141 PolarHBondContact OD1-CE1 3.48Å; D85-H141 VanDerWaalsContact OD1-CE1 3.26Å; D85-G142 CarbonylContact O-C 3.58Å; D85-F143 PolarHBondContact O-N 2.83Å
86I98.9Very high95.4Very high0 Ų043.2 Ų43.20%021%0.214CC..EExtended strand (participates in β ladder)trans-131.8132.3-177.5-53-179.5000111.4L3 W6 V7 C8 V9 L25 V88 F143 I233 A237L3-I86 HydrophobicContact CD1-CD1 4.38Å; W6-I86 HydrophobicContact CE3-CD1 3.91Å; W6-I86 HydrophobicContact CE3-CG1 3.95Å; W6-I86 HydrophobicContact CZ3-CD1 3.99Å; W6-I86 HydrophobicContact CZ3-CG1 4.04Å; V7-I86 PolarHBondContact O-N 2.96Å; C8-I86 CarbonylContact C-O 3.44Å; C8-I86 VanDerWaalsContact CA-O 3.28Å; C8-I86 WeakPolarHBondContact CA-O 3.45Å; C8-I86 HydrophobicContact CB-CB 4.25Å; V9-I86 PolarHBondContact N-O 3.43Å; L25-I86 HydrophobicContact CD2-CD1 3.93Å; I86-V88 HydrophobicContact CG2-CG2 3.83Å; I86-F143 CarbonylContact C-O 3.56Å; I86-F143 VanDerWaalsContact CA-O 3.28Å; I86-F143 WeakPolarHBondContact CA-O 3.36Å; I86-F143 HydrophobicContact CD1-CD1 4.33Å; I86-F143 HydrophobicContact CG1-CB 4.34Å; I86-F143 HydrophobicContact CG1-CD1 4.27Å; I86-F143 HydrophobicContact CG2-CD1 4.3Å; I86-I233 HydrophobicContact CG2-CG2 4.42Å; I86-A237 HydrophobicContact CD1-CB 3.83Å
87L98.9Very high95Very high0 Ų045.9 Ų45.90%023%0.228CC..EExtended strand (participates in β ladder)trans-118.7121.6167170.763.1000109.4V9 T11 F73 F128 M136 F143 I144 V145V9-L87 HydrophobicContact CB-CD1 3.85Å; V9-L87 HydrophobicContact CG1-CD1 3.77Å; T11-L87 HydrophobicContact CG2-CD1 4.45Å; F73-L87 HydrophobicContact CZ-CD1 4.29Å; L87-F128 HydrophobicContact CD1-CB 4.3Å; L87-F128 HydrophobicContact CD2-CB 4.22Å; L87-F128 WeakPolarHBondContact CD2-O 3.48Å; L87-M136 HydrophobicContact CB-CE 3.66Å; L87-F143 PolarHBondContact N-O 2.53Å; L87-I144 HydrophobicContact CB-CG1 4.4Å; L87-I144 HydrophobicContact CD2-CG2 4.38Å; L87-I144 CarbonylContact O-C 3.49Å; L87-I144 WeakPolarHBondContact O-CA 3.34Å; L87-V145 PolarHBondContact O-N 3.3Å
88V98.9Very high94.6Very high0 Ų040.1 Ų40.10%020%0.204CC..EExtended strand (participates in β ladder)trans-109.3106.1174.7-1730000109.7V9 V10 T11 I21 I86 N90 V145 V147 I233V9-V88 PolarHBondContact O-N 3.27Å; V10-V88 HydrophobicContact CB-CB 4.45Å; V10-V88 HydrophobicContact CG1-CB 4.13Å; V10-V88 HydrophobicContact CG1-CG1 4.3Å; V10-V88 HydrophobicContact CG2-CB 4.29Å; V10-V88 HydrophobicContact CG2-CG2 4.24Å; T11-V88 PolarHBondContact N-O 3.03Å; T11-V88 PolarHBondContact OG1-O 3.13Å; T11-V88 VanDerWaalsContact OG1-O 3.13Å; I21-V88 HydrophobicContact CD1-CG1 3.9Å; I21-V88 HydrophobicContact CG2-CG1 4.34Å; I21-V88 HydrophobicContact CG2-CG2 4.11Å; I86-V88 HydrophobicContact CG2-CG2 3.83Å; V88-N90 HydrophobicContact CG1-CB 4.11Å; V88-N90 PolarHBondContact O-N 2.51Å; V88-V145 CarbonylContact C-O 3.58Å; V88-V145 WeakPolarHBondContact CA-O 3.46Å; V88-V145 HydrophobicContact CG1-CB 4.44Å; V88-V145 HydrophobicContact CG1-CG1 4.48Å; V88-V145 HydrophobicContact CG2-CB 4.39Å; V88-V147 HydrophobicContact CG1-CG2 4.2Å; V88-I233 HydrophobicContact CG1-CD1 4.22Å; V88-I233 HydrophobicContact CG2-CD1 4.13Å
89N98.8Very high94Very high0 Ų033.2 Ų33.20%017%0.171CC..EExtended strand (participates in β ladder)trans-78.194.8169.5-70.8-44.1000109.3H125 F128 S129 V145 T146 V147N89-H125 HydrophobicContact CB-CB 3.93Å; N89-F128 WeakPolarHBondContact OD1-CB 3.43Å; N89-S129 PolarHBondContact ND2-OG 3.31Å; N89-V145 PolarHBondContact N-O 2.79Å; N89-T146 HydrophobicContact CB-CG2 4.31Å; N89-V147 PolarHBondContact O-N 3.49Å
90N97.8Very high93.6Very high17 Ų1733.4 Ų33.49%0.09118%0.175CC..  trans-124.4-22.3-178.6162.888.4000113.1T11 G12 I17 G18 V88 Y92 V147T11-N90 CarbonylContact O-C 3.6Å; T11-N90 WeakPolarHBondContact O-CB 3.47Å; T11-N90 PolarHBondContact O-ND2 2.97Å; T11-N90 PolarHBondContact OG1-N 3.03Å; G12-N90 PolarHBondContact O-ND2 3.17Å; I17-N90 WeakPolarHBondContact CG2-OD1 3.47Å; G18-N90 WeakPolarHBondContact CA-ND2 3.37Å; G18-N90 PolarHBondContact N-ND2 3.42Å; G18-N90 PolarHBondContact N-OD1 2.82Å; V88-N90 HydrophobicContact CG1-CB 4.11Å; V88-N90 PolarHBondContact O-N 2.51Å; N90-Y92 PolarHBondContact O-N 3.37Å; N90-Y92 VanDerWaalsContact O-N 3.16Å; N90-V147 HydrophobicContact CB-CB 4.44Å; N90-V147 HydrophobicContact CB-CG2 3.92Å
91A90Very high93.2Very high2 Ų232.9 Ų32.92%0.01717%0.174CC..  trans-48.5122.9-174.600000112.9T11 T120 G121 H125T11-A91 PolarHBondContact O-N 2.97Å; T11-A91 PolarHBondContact OG1-N 3.24Å; A91-T120 HydrophobicContact CB-CG2 3.79Å; A91-G121 WeakPolarHBondContact O-CA 3.33Å; A91-H125 PolarHBondContact O-CE1 3.08Å
92Y87.3Confident92.7Very high61 Ų6126.4 Ų26.424%0.23914%0.139CC..  trans-148.4120.2-175.5-167.5-102.7000110.3N90 V95 I98 I117 Y161N90-Y92 PolarHBondContact O-N 3.37Å; N90-Y92 VanDerWaalsContact O-N 3.16Å; Y92-V95 HydrophobicContact CD1-CG2 3.48Å; Y92-V95 VanDerWaalsContact CD1-CG2 3.48Å; Y92-V95 HydrophobicContact CE1-CG2 3.64Å; Y92-I98 HydrophobicContact CE1-CD1 4.35Å; Y92-I98 WeakPolarHBondContact OH-CD1 3.31Å; Y92-I117 HydrophobicContact CE2-CG2 3.96Å; Y92-I117 WeakPolarHBondContact OH-CG2 3.37Å; Y92-Y161 WeakPolarHBondContact OH-CD2 3.26Å
93A87.9Confident92.2Very high41 Ų4128 Ų2834%0.33916%0.155SC..  trans-105-24.2-174.200000113.4V95 T120A93-V95 VanDerWaalsContact C-N 3.29Å; A93-V95 PolarHBondContact O-N 3.31Å; A93-V95 VanDerWaalsContact O-N 3.17Å; A93-T120 HydrophobicContact CB-CG2 4.31Å
94G85.6Confident91.9Very high0 Ų028.2 Ų28.20%016%0.158CC..THydrogen-bonded Turntrans-81.312.2-168.100000116.6Q96 I98G94-Q96 PolarHBondContact O-N 3.06Å; G94-I98 WeakPolarHBondContact O-CB 3.36Å; G94-I98 WeakPolarHBondContact O-CD1 3.1Å; G94-I98 WeakPolarHBondContact O-CG1 3.26Å; G94-I98 PolarHBondContact O-N 3.32Å; G94-I98 VanDerWaalsContact O-N 3.07Å
95V87.3Confident91.7Very high30 Ų3033 Ų3318%0.18218%0.179CC..Hα-helixtrans-59.3-48.6-180-176.80000110.6Y92 A93 I98 F99 L198Y92-V95 HydrophobicContact CD1-CG2 3.48Å; Y92-V95 VanDerWaalsContact CD1-CG2 3.48Å; Y92-V95 HydrophobicContact CE1-CG2 3.64Å; A93-V95 VanDerWaalsContact C-N 3.29Å; A93-V95 PolarHBondContact O-N 3.31Å; A93-V95 VanDerWaalsContact O-N 3.17Å; V95-I98 PolarHBondContact O-N 3.24Å; V95-F99 HydrophobicContact CG1-CD2 3.89Å; V95-F99 HydrophobicContact CG1-CE2 3.61Å; V95-F99 WeakPolarHBondContact O-CD2 3.48Å; V95-F99 PolarHBondContact O-N 2.87Å; V95-L198 HydrophobicContact CB-CD1 4.17Å; V95-L198 HydrophobicContact CG1-CB 4.31Å; V95-L198 HydrophobicContact CG1-CD1 4.34Å
96Q88.3Confident91.5Very high68 Ų6839.2 Ų39.232%0.31821%0.207SC..Hα-helixtrans-63.3-49.8-178.4-172.463.154.700111.3G94 I98 F99 D100G94-Q96 PolarHBondContact O-N 3.06Å; Q96-I98 PolarHBondContact O-N 3.02Å; Q96-F99 PolarHBondContact O-N 3.17Å; Q96-D100 PolarHBondContact NE2-OD1 3.05Å; Q96-D100 PolarHBondContact NE2-OD2 3.42Å; Q96-D100 PolarHBondContact O-N 3.45Å
97D90.3Very high91.4Very high56 Ų5647.4 Ų47.430%0.29924%0.238SC..Hα-helixtrans-62.1-31.4-179-63.9-22.6000113.3N101 I113 S116D97-N101 WeakPolarHBondContact O-CB 3.41Å; D97-N101 PolarHBondContact O-N 3.41Å; D97-N101 PolarHBondContact O-ND2 3.03Å; D97-I113 HydrophobicContact CB-CG1 4.29Å; D97-S116 WeakPolarHBondContact OD2-CB 3.37Å; D97-S116 PolarHBondContact OD2-OG 2.79Å
98I90.2Very high91.3Very high7 Ų752.6 Ų52.64%0.03626%0.262CS..Hα-helixtrans-61.2-47171.2-75.7167.4000110.7Y92 G94 V95 Q96 N101 M102 I117 F157 Y161Y92-I98 HydrophobicContact CE1-CD1 4.35Å; Y92-I98 WeakPolarHBondContact OH-CD1 3.31Å; G94-I98 WeakPolarHBondContact O-CB 3.36Å; G94-I98 WeakPolarHBondContact O-CD1 3.1Å; G94-I98 WeakPolarHBondContact O-CG1 3.26Å; G94-I98 PolarHBondContact O-N 3.32Å; G94-I98 VanDerWaalsContact O-N 3.07Å; V95-I98 PolarHBondContact O-N 3.24Å; Q96-I98 PolarHBondContact O-N 3.02Å; I98-N101 CarbonylContact O-C 3.56Å; I98-N101 PolarHBondContact O-N 3.19Å; I98-M102 HydrophobicContact CG2-CE 3.84Å; I98-M102 PolarHBondContact O-N 3.43Å; I98-M102 VanDerWaalsContact O-N 3.09Å; I98-I117 HydrophobicContact CD1-CD1 4.12Å; I98-I117 HydrophobicContact CD1-CG1 4.45Å; I98-I117 HydrophobicContact CG1-CD1 3.75Å; I98-I117 HydrophobicContact CG1-CG1 4.37Å; I98-F157 HydrophobicContact CG2-CB 3.7Å; I98-F157 HydrophobicContact CG2-CD2 4.41Å; I98-F157 HydrophobicContact CG2-CG 4.02Å; I98-Y161 HydrophobicContact CD1-CD2 3.56Å; I98-Y161 HydrophobicContact CD1-CE2 4.35Å; I98-Y161 HydrophobicContact CD1-CG 4.12Å
99F87.3Confident91.1Very high13 Ų1353.7 Ų53.76%0.05727%0.268CS..Hα-helixtrans-72.7-37.8-177.9-74-65000112.6V95 Q96 N101 M102 I199 L202 I203 P209V95-F99 HydrophobicContact CG1-CD2 3.89Å; V95-F99 HydrophobicContact CG1-CE2 3.61Å; V95-F99 WeakPolarHBondContact O-CD2 3.48Å; V95-F99 PolarHBondContact O-N 2.87Å; Q96-F99 PolarHBondContact O-N 3.17Å; F99-N101 PolarHBondContact O-N 3.08Å; F99-M102 HydrophobicContact CD1-CE 3.43Å; F99-M102 VanDerWaalsContact CD1-CE 3.43Å; F99-M102 HydrophobicContact CE1-CE 3.6Å; F99-M102 HydrophobicContact CG-CE 4.32Å; F99-M102 VanDerWaalsContact O-CB 3.32Å; F99-M102 WeakPolarHBondContact O-CB 3.26Å; F99-M102 PolarHBondContact O-N 2.55Å; F99-I199 HydrophobicContact CE2-CD1 3.66Å; F99-I199 HydrophobicContact CZ-CD1 3.6Å; F99-L202 HydrophobicContact CB-CD1 4.22Å; F99-L202 HydrophobicContact CD2-CD1 3.5Å; F99-L202 HydrophobicContact CE2-CD1 4.22Å; F99-L202 HydrophobicContact CG-CD1 4.06Å; F99-I203 HydrophobicContact CE1-CD1 3.54Å; F99-I203 HydrophobicContact CE1-CG1 3.98Å; F99-I203 HydrophobicContact CE2-CD1 4.45Å; F99-I203 HydrophobicContact CZ-CD1 3.47Å; F99-I203 VanDerWaalsContact CZ-CD1 3.47Å; F99-I203 HydrophobicContact CZ-CG1 4.14Å; F99-P209 HydrophobicContact CD1-CG 4.09Å
100D89.5Confident91Very high94 Ų9458.6 Ų58.650%0.50330%0.295SS..Hα-helixtrans-66.8-21.5177.5-67.2-11.6000112.6Q96Q96-D100 PolarHBondContact NE2-OD1 3.05Å; Q96-D100 PolarHBondContact NE2-OD2 3.42Å; Q96-D100 PolarHBondContact O-N 3.45Å
101N89.8Confident90.9Very high33 Ų3363 Ų6318%0.17632%0.324CS..THydrogen-bonded Turntrans-112.618.1176.7-65.4-74.4000113.1D97 I98 F99 G103 K104 T109 I113D97-N101 WeakPolarHBondContact O-CB 3.41Å; D97-N101 PolarHBondContact O-N 3.41Å; D97-N101 PolarHBondContact O-ND2 3.03Å; I98-N101 CarbonylContact O-C 3.56Å; I98-N101 PolarHBondContact O-N 3.19Å; F99-N101 PolarHBondContact O-N 3.08Å; N101-G103 PolarHBondContact O-N 2.96Å; N101-K104 HydrophobicContact CB-CD 4.27Å; N101-K104 WeakPolarHBondContact O-CB 3.17Å; N101-K104 PolarHBondContact O-N 2.67Å; N101-K104 PolarHBondContact OD1-NZ 3.31Å; N101-T109 HydrophobicContact CB-CG2 3.78Å; N101-I113 HydrophobicContact CB-CD1 3.98Å
102M86.6Confident91.2Very high26 Ų2666 Ų6613%0.12835%0.345CS..THydrogen-bonded Turntrans-59.2138.1177.5-164.665.462.600110.4I98 F99 K104 F157 L212I98-M102 HydrophobicContact CG2-CE 3.84Å; I98-M102 PolarHBondContact O-N 3.43Å; I98-M102 VanDerWaalsContact O-N 3.09Å; F99-M102 HydrophobicContact CD1-CE 3.43Å; F99-M102 VanDerWaalsContact CD1-CE 3.43Å; F99-M102 HydrophobicContact CE1-CE 3.6Å; F99-M102 HydrophobicContact CG-CE 4.32Å; F99-M102 VanDerWaalsContact O-CB 3.32Å; F99-M102 WeakPolarHBondContact O-CB 3.26Å; F99-M102 PolarHBondContact O-N 2.55Å; M102-K104 PolarHBondContact O-N 2.86Å; M102-F157 HydrophobicContact CE-CD1 4.07Å; M102-F157 HydrophobicContact SD-CD1 4.48Å; M102-L212 HydrophobicContact CE-CD1 4.07Å; M102-L212 HydrophobicContact CG-CB 4.41Å; M102-L212 HydrophobicContact CG-CD1 4.4Å; M102-L212 HydrophobicContact SD-CD1 4.1Å
103G86.1Confident91.5Very high53 Ų5364 Ų6455%0.54634%0.338SS..THydrogen-bonded Turntrans81.5-19.6-179.100000115.3N101N101-G103 PolarHBondContact O-N 2.96Å
104K92Very high92Very high90 Ų9067.3 Ų67.339%0.39134%0.342SS..  trans-74.7144.6174.7-60-177.3-169.7168.10111.4N101 M102 E108 T109N101-K104 HydrophobicContact CB-CD 4.27Å; N101-K104 WeakPolarHBondContact O-CB 3.17Å; N101-K104 PolarHBondContact O-N 2.67Å; N101-K104 PolarHBondContact OD1-NZ 3.31Å; M102-K104 PolarHBondContact O-N 2.86Å; K104-E108 WeakPolarHBondContact CA-OE2 3.22Å; K104-E108 HydrophobicContact CB-CB 4.28Å; K104-T109 HydrophobicContact CB-CG2 3.8Å; K104-T109 HydrophobicContact CD-CG2 4.19Å
105K94.8Very high92.4Very high100 Ų10071.8 Ų71.844%0.43537%0.366SS..  trans-81.8159.5171.3-55.3-59.1-178.6-174.20110.1W107 E108 T109K105-W107 HydrophobicContact CB-CD2 3.72Å; K105-W107 VanDerWaalsContact CB-CE2 3.49Å; K105-W107 HydrophobicContact CB-CE3 3.83Å; K105-W107 HydrophobicContact CB-CH2 3.57Å; K105-W107 HydrophobicContact CB-CZ2 3.43Å; K105-W107 VanDerWaalsContact CB-CZ2 3.43Å; K105-W107 HydrophobicContact CB-CZ3 3.76Å; K105-W107 HydrophobicContact CD-CH2 4.21Å; K105-W107 HydrophobicContact CD-CZ2 4.49Å; K105-W107 HydrophobicContact CG-CH2 3.64Å; K105-W107 HydrophobicContact CG-CZ2 3.48Å; K105-W107 VanDerWaalsContact CG-CZ2 3.48Å; K105-W107 HydrophobicContact CG-CZ3 4.3Å; K105-W107 PolarHBondContact O-N 3.12Å; K105-W107 VanDerWaalsContact O-N 3.12Å; K105-E108 HydrophobicContact CB-CG 4.22Å; K105-E108 PolarHBondContact N-OE2 3.42Å; K105-E108 WeakPolarHBondContact O-CB 3.27Å; K105-E108 PolarHBondContact O-N 2.83Å; K105-T109 PolarHBondContact O-N 3.47Å
106F96.5Very high92.7Very high133 Ų13371.8 Ų71.858%0.58337%0.367SS*.THydrogen-bonded Turntrans-62.4-25.7-172.578.4-93.1000113.6E108 T109 V159F106-E108 VanDerWaalsContact C-N 3.29Å; F106-T109 PolarHBondContact O-OG1 3.31Å; F106-V159 HydrophobicContact CB-CB 4.13Å; F106-V159 HydrophobicContact CB-CG2 3.77Å; F106-V159 HydrophobicContact CD1-CG2 3.99Å; F106-V159 HydrophobicContact CG-CG2 4.12Å
107W96.3Very high93Very high172 Ų17268.6 Ų68.665%0.65235%0.352SS*.THydrogen-bonded Turntrans-81.1-7175.661.982.2000113.7K105K105-W107 HydrophobicContact CB-CD2 3.72Å; K105-W107 VanDerWaalsContact CB-CE2 3.49Å; K105-W107 HydrophobicContact CB-CE3 3.83Å; K105-W107 HydrophobicContact CB-CH2 3.57Å; K105-W107 HydrophobicContact CB-CZ2 3.43Å; K105-W107 VanDerWaalsContact CB-CZ2 3.43Å; K105-W107 HydrophobicContact CB-CZ3 3.76Å; K105-W107 HydrophobicContact CD-CH2 4.21Å; K105-W107 HydrophobicContact CD-CZ2 4.49Å; K105-W107 HydrophobicContact CG-CH2 3.64Å; K105-W107 HydrophobicContact CG-CZ2 3.48Å; K105-W107 VanDerWaalsContact CG-CZ2 3.48Å; K105-W107 HydrophobicContact CG-CZ3 4.3Å; K105-W107 PolarHBondContact O-N 3.12Å; K105-W107 VanDerWaalsContact O-N 3.12Å
108E96.3Very high93.3Very high109 Ų10966.2 Ų66.251%0.50934%0.34SS..THydrogen-bonded Turntrans-102.8-8.6179.3-54.8174148.900112K104 K105 F106K104-E108 WeakPolarHBondContact CA-OE2 3.22Å; K104-E108 HydrophobicContact CB-CB 4.28Å; K105-E108 HydrophobicContact CB-CG 4.22Å; K105-E108 PolarHBondContact N-OE2 3.42Å; K105-E108 WeakPolarHBondContact O-CB 3.27Å; K105-E108 PolarHBondContact O-N 2.83Å; F106-E108 VanDerWaalsContact C-N 3.29Å
109T95.8Very high93.6Very high22 Ų2267.9 Ų67.914%0.13535%0.349CS..SBendtrans-98.3149.8179.154.80000111.1N101 K104 K105 F106 I113N101-T109 HydrophobicContact CB-CG2 3.78Å; K104-T109 HydrophobicContact CB-CG2 3.8Å; K104-T109 HydrophobicContact CD-CG2 4.19Å; K105-T109 PolarHBondContact O-N 3.47Å; F106-T109 PolarHBondContact O-OG1 3.31Å; T109-I113 HydrophobicContact CG2-CD1 4.47Å
110D96Very high94Very high104 Ų10468 Ų6856%0.55635%0.35SS*.  trans-61.6133170.8-170.8-76.4000110.4S112 I113D110-S112 PolarHBondContact O-N 3.36Å; D110-S112 WeakPolarHBondContact OD1-CB 3.37Å; D110-S112 PolarHBondContact OD1-N 2.97Å; D110-S112 PolarHBondContact OD1-OG 3.25Å; D110-I113 WeakPolarHBondContact O-CB 3.48Å; D110-I113 WeakPolarHBondContact O-CG2 3.33Å; D110-I113 PolarHBondContact O-N 2.99Å; D110-I113 VanDerWaalsContact O-N 3.09Å
111P96.3Very high94.2Very high108 Ų10863.6 Ų63.670%0.70133%0.327SS*.THydrogen-bonded Turntrans-55.1-25.6-179.7-27.835.6000114.7I113 W114P111-I113 PolarHBondContact O-N 3.08Å; P111-I113 VanDerWaalsContact O-N 3.11Å; P111-W114 WeakPolarHBondContact O-CB 3.39Å; P111-W114 PolarHBondContact O-N 3.29Å
112S95.1Very high94.7Very high67 Ų6763.8 Ų63.847%0.46933%0.328SS..THydrogen-bonded Turntrans-61.2-16.6177.663.70000114.3D110 W114 D115 S116D110-S112 PolarHBondContact O-N 3.36Å; D110-S112 WeakPolarHBondContact OD1-CB 3.37Å; D110-S112 PolarHBondContact OD1-N 2.97Å; D110-S112 PolarHBondContact OD1-OG 3.25Å; S112-W114 PolarHBondContact O-N 3Å; S112-D115 PolarHBondContact O-N 2.84Å; S112-S116 PolarHBondContact O-N 3.27Å
113I94.8Very high95.2Very high17 Ų1767.2 Ų67.29%0.08734%0.34CS..Hα-helixtrans-56.8-29.4170.7-163.6172.2000111.9D97 N101 T109 D110 P111 S116 I117D97-I113 HydrophobicContact CB-CG1 4.29Å; N101-I113 HydrophobicContact CB-CD1 3.98Å; T109-I113 HydrophobicContact CG2-CD1 4.47Å; D110-I113 WeakPolarHBondContact O-CB 3.48Å; D110-I113 WeakPolarHBondContact O-CG2 3.33Å; D110-I113 PolarHBondContact O-N 2.99Å; D110-I113 VanDerWaalsContact O-N 3.09Å; P111-I113 PolarHBondContact O-N 3.08Å; P111-I113 VanDerWaalsContact O-N 3.11Å; I113-S116 PolarHBondContact O-OG 3.06Å; I113-I117 HydrophobicContact CD1-CD1 4.5Å; I113-I117 HydrophobicContact CG1-CD1 3.88Å; I113-I117 WeakPolarHBondContact O-CD1 3.21Å; I113-I117 WeakPolarHBondContact O-CG1 3.33Å; I113-I117 PolarHBondContact O-N 3.08Å
114W96.8Very high95.8Very high111 Ų11164.7 Ų64.742%0.4231%0.314SS..Hα-helixtrans-61.5-51.2173.6175.2-91.5000111P111 S112 I117 N118 A160 V163P111-W114 WeakPolarHBondContact O-CB 3.39Å; P111-W114 PolarHBondContact O-N 3.29Å; S112-W114 PolarHBondContact O-N 3Å; W114-I117 PolarHBondContact O-N 2.81Å; W114-N118 HydrophobicContact CD2-CB 4.4Å; W114-N118 VanDerWaalsContact CE3-ND2 3.29Å; W114-N118 WeakPolarHBondContact CH2-ND2 3.19Å; W114-N118 HydrophobicContact CZ2-CB 4.26Å; W114-N118 VanDerWaalsContact CZ3-ND2 3.3Å; W114-N118 WeakPolarHBondContact CZ3-ND2 3.38Å; W114-N118 WeakPolarHBondContact O-CB 3.09Å; W114-N118 PolarHBondContact O-N 2.83Å; W114-A160 HydrophobicContact CE3-CB 4.04Å; W114-V163 HydrophobicContact CH2-CB 4.31Å; W114-V163 HydrophobicContact CH2-CG1 3.63Å; W114-V163 HydrophobicContact CZ3-CB 4.08Å; W114-V163 HydrophobicContact CZ3-CG1 3.88Å
115D95.4Very high96.1Very high94 Ų9460.5 Ų60.550%0.50330%0.296SS..Hα-helixtrans-69.8-35.6-176.2-69.9-39.9000111.9S112 I117 N119S112-D115 PolarHBondContact O-N 2.84Å; D115-I117 VanDerWaalsContact C-N 3.25Å; D115-I117 PolarHBondContact O-N 2.87Å; D115-N119 WeakPolarHBondContact O-CB 3.32Å; D115-N119 PolarHBondContact O-N 2.93Å
116S93.1Very high96.3Very high30 Ų3062 Ų6221%0.2130%0.299CS..Hα-helixtrans-64.6-32177.778.40000113D97 S112 I113D97-S116 WeakPolarHBondContact OD2-CB 3.37Å; D97-S116 PolarHBondContact OD2-OG 2.79Å; S112-S116 PolarHBondContact O-N 3.27Å; I113-S116 PolarHBondContact O-OG 3.06Å
117I93.9Very high96.4Very high1 Ų158 Ų581%0.00528%0.282CS..Hα-helixtrans-85.1-57.2176.3-67.9167.4000110.9Y92 I98 I113 W114 D115 G121 A160Y92-I117 HydrophobicContact CE2-CG2 3.96Å; Y92-I117 WeakPolarHBondContact OH-CG2 3.37Å; I98-I117 HydrophobicContact CD1-CD1 4.12Å; I98-I117 HydrophobicContact CD1-CG1 4.45Å; I98-I117 HydrophobicContact CG1-CD1 3.75Å; I98-I117 HydrophobicContact CG1-CG1 4.37Å; I113-I117 HydrophobicContact CD1-CD1 4.5Å; I113-I117 HydrophobicContact CG1-CD1 3.88Å; I113-I117 WeakPolarHBondContact O-CD1 3.21Å; I113-I117 WeakPolarHBondContact O-CG1 3.33Å; I113-I117 PolarHBondContact O-N 3.08Å; W114-I117 PolarHBondContact O-N 2.81Å; D115-I117 VanDerWaalsContact C-N 3.25Å; D115-I117 PolarHBondContact O-N 2.87Å; I117-G121 WeakPolarHBondContact O-CA 3.42Å; I117-G121 PolarHBondContact O-N 3.49Å; I117-A160 HydrophobicContact CD1-CB 3.72Å
118N97.9Very high96.5Very high6 Ų649.8 Ų49.83%0.03225%0.251CS..Hα-helixtrans-94.3-13.6-163.7-69.9-39000114.4W114 L122 R123 A160 G164W114-N118 HydrophobicContact CD2-CB 4.4Å; W114-N118 VanDerWaalsContact CE3-ND2 3.29Å; W114-N118 WeakPolarHBondContact CH2-ND2 3.19Å; W114-N118 HydrophobicContact CZ2-CB 4.26Å; W114-N118 VanDerWaalsContact CZ3-ND2 3.3Å; W114-N118 WeakPolarHBondContact CZ3-ND2 3.38Å; W114-N118 WeakPolarHBondContact O-CB 3.09Å; W114-N118 PolarHBondContact O-N 2.83Å; N118-L122 HydrophobicContact CB-CB 4.21Å; N118-L122 HydrophobicContact CB-CD2 4.47Å; N118-L122 WeakPolarHBondContact O-CB 3.23Å; N118-L122 PolarHBondContact O-N 3.26Å; N118-R123 PolarHBondContact O-N 3.05Å; N118-A160 PolarHBondContact ND2-O 3.16Å; N118-A160 VanDerWaalsContact ND2-O 3.07Å; N118-G164 WeakPolarHBondContact OD1-CA 3.46Å
119N96.5Very high96.7Very high43 Ų4344.6 Ų44.623%0.2323%0.227CC..Iπ-helixtrans-70.5-51.9173.1-163.4-3.7000110.2T64 D115 R123 G124T64-N119 HydrophobicContact CG2-CB 4.12Å; D115-N119 WeakPolarHBondContact O-CB 3.32Å; D115-N119 PolarHBondContact O-N 2.93Å; N119-R123 WeakPolarHBondContact O-CB 3.45Å; N119-R123 PolarHBondContact OD1-NH1 2.77Å; N119-G124 PolarHBondContact O-N 3.23Å
120T94.4Very high96.8Very high14 Ų1445.3 Ų45.39%0.08623%0.231CC..Iπ-helixtrans-74.7-47.7175.1-65.50000112.1T64 A91 A93 L122T64-T120 WeakPolarHBondContact CG2-OG1 3.33Å; A91-T120 HydrophobicContact CB-CG2 3.79Å; A93-T120 HydrophobicContact CB-CG2 4.31Å; T120-L122 PolarHBondContact O-N 3.16Å
121G95.1Very high97Very high2 Ų242.7 Ų42.72%0.02121%0.214CC..Iπ-helixtrans-87.66.2-169.600000116.4A91 I117 H125 C168A91-G121 WeakPolarHBondContact O-CA 3.33Å; I117-G121 WeakPolarHBondContact O-CA 3.42Å; I117-G121 PolarHBondContact O-N 3.49Å; G121-H125 PolarHBondContact O-CD2 3.27Å; G121-H125 PolarHBondContact O-NE2 3.2Å; G121-C168 PolarHBondContact O-SG 3.02Å; G121-C168 VanDerWaalsContact O-SG 3.38Å
122L98.2Very high97.1Very high37 Ų3737.5 Ų37.519%0.19418%0.18CC..Iπ-helixtrans-145.2-61.2174.3175.664.2000111.4N118 T120 G124 H125 Y126 A167N118-L122 HydrophobicContact CB-CB 4.21Å; N118-L122 HydrophobicContact CB-CD2 4.47Å; N118-L122 WeakPolarHBondContact O-CB 3.23Å; N118-L122 PolarHBondContact O-N 3.26Å; T120-L122 PolarHBondContact O-N 3.16Å; L122-G124 VanDerWaalsContact C-N 3.35Å; L122-G124 PolarHBondContact O-N 2.63Å; L122-H125 WeakPolarHBondContact O-CB 3.39Å; L122-H125 PolarHBondContact O-N 3.07Å; L122-H125 VanDerWaalsContact O-N 3.14Å; L122-Y126 PolarHBondContact O-N 2.63Å; L122-Y126 VanDerWaalsContact O-N 3.15Å; L122-A167 HydrophobicContact CD1-CB 3.57Å; L122-A167 HydrophobicContact CD2-CB 3.6Å; L122-A167 HydrophobicContact CG-CB 4.24Å
123R98.5Very high97.3Very high99 Ų9935.5 Ų35.537%0.37417%0.166SC..Iπ-helixtrans-59.3-47179.2177.5179172.8-82.1-0.7110.9T64 N118 N119 H125 Y126 F127T64-R123 PolarHBondContact O-NH1 3.44Å; N118-R123 PolarHBondContact O-N 3.05Å; N119-R123 WeakPolarHBondContact O-CB 3.45Å; N119-R123 PolarHBondContact OD1-NH1 2.77Å; R123-H125 VanDerWaalsContact C-N 3.3Å; R123-H125 PolarHBondContact O-N 3.32Å; R123-Y126 WeakPolarHBondContact O-CB 3.43Å; R123-Y126 PolarHBondContact O-N 3.38Å; R123-Y126 VanDerWaalsContact O-N 3.16Å; R123-F127 HydrophobicContact CG-CD2 4.03Å; R123-F127 HydrophobicContact CG-CE2 3.77Å; R123-F127 VanDerWaalsContact NH2-CZ 3.28Å; R123-F127 WeakPolarHBondContact O-CD2 3.33Å; R123-F127 PolarHBondContact O-N 3.37Å; R123-F127 VanDerWaalsContact O-N 3.15Å
124G98.3Very high97.4Very high0 Ų041.7 Ų41.70%019%0.188CC..Hα-helixtrans-54.2-45.817500000112.2S63 N119 L122 Y126 F127 F128S63-G124 WeakPolarHBondContact O-CA 3.38Å; N119-G124 PolarHBondContact O-N 3.23Å; L122-G124 VanDerWaalsContact C-N 3.35Å; L122-G124 PolarHBondContact O-N 2.63Å; G124-Y126 VanDerWaalsContact C-N 3.31Å; G124-Y126 PolarHBondContact O-N 2.88Å; G124-F127 PolarHBondContact O-N 2.8Å; G124-F127 VanDerWaalsContact O-N 3.08Å; G124-F128 WeakPolarHBondContact O-CD2 3.44Å; G124-F128 PolarHBondContact O-N 2.83Å
125H98.7Very high97.5Very high1 Ų137.3 Ų37.31%0.00517%0.173CC..Hα-helixtrans-58.9-40178.5-61.4-16000113N89 A91 G121 L122 R123 S129 L171N89-H125 HydrophobicContact CB-CB 3.93Å; A91-H125 PolarHBondContact O-CE1 3.08Å; G121-H125 PolarHBondContact O-CD2 3.27Å; G121-H125 PolarHBondContact O-NE2 3.2Å; L122-H125 WeakPolarHBondContact O-CB 3.39Å; L122-H125 PolarHBondContact O-N 3.07Å; L122-H125 VanDerWaalsContact O-N 3.14Å; R123-H125 VanDerWaalsContact C-N 3.3Å; R123-H125 PolarHBondContact O-N 3.32Å; H125-S129 VanDerWaalsContact O-CB 3.32Å; H125-S129 WeakPolarHBondContact O-CB 3.42Å; H125-S129 PolarHBondContact O-N 2.9Å; H125-S129 PolarHBondContact O-OG 2.93Å; H125-L171 HydrophobicContact CB-CD2 4Å
126Y98.9Very high97.7Very high131 Ų13132.9 Ų32.951%0.51415%0.149SC..Hα-helixtrans-61.5-47.1173.5179.8-106.3000111.4L122 R123 G124 S129 V130 L171L122-Y126 PolarHBondContact O-N 2.63Å; L122-Y126 VanDerWaalsContact O-N 3.15Å; R123-Y126 WeakPolarHBondContact O-CB 3.43Å; R123-Y126 PolarHBondContact O-N 3.38Å; R123-Y126 VanDerWaalsContact O-N 3.16Å; G124-Y126 VanDerWaalsContact C-N 3.31Å; G124-Y126 PolarHBondContact O-N 2.88Å; Y126-S129 PolarHBondContact O-N 3.4Å; Y126-S129 VanDerWaalsContact O-N 3.17Å; Y126-V130 HydrophobicContact CD1-CG2 4.22Å; Y126-V130 HydrophobicContact CD2-CG2 4.49Å; Y126-V130 HydrophobicContact CE1-CG2 3.82Å; Y126-V130 HydrophobicContact CE2-CG2 4.11Å; Y126-V130 WeakPolarHBondContact O-CG2 3.48Å; Y126-V130 PolarHBondContact O-N 3.31Å; Y126-L171 HydrophobicContact CD2-CD1 3.79Å
127F98.8Very high98Very high49 Ų4933.7 Ų33.722%0.21515%0.153CC..Hα-helixtrans-63.6-47-179.4-80.2-121.4000111.6A66 I69 R123 G124 S129 V130 Y131A66-F127 HydrophobicContact CB-CD1 3.77Å; A66-F127 HydrophobicContact CB-CE1 3.59Å; I69-F127 HydrophobicContact CD1-CB 3.62Å; I69-F127 HydrophobicContact CD1-CG 4.47Å; I69-F127 HydrophobicContact CG2-CB 4.48Å; R123-F127 HydrophobicContact CG-CD2 4.03Å; R123-F127 HydrophobicContact CG-CE2 3.77Å; R123-F127 VanDerWaalsContact NH2-CZ 3.28Å; R123-F127 WeakPolarHBondContact O-CD2 3.33Å; R123-F127 PolarHBondContact O-N 3.37Å; R123-F127 VanDerWaalsContact O-N 3.15Å; G124-F127 PolarHBondContact O-N 2.8Å; G124-F127 VanDerWaalsContact O-N 3.08Å; F127-S129 PolarHBondContact O-N 3.4Å; F127-V130 PolarHBondContact O-N 2.87Å; F127-Y131 VanDerWaalsContact O-CD2 3.24Å; F127-Y131 WeakPolarHBondContact O-CD2 3.25Å; F127-Y131 PolarHBondContact O-N 3.16Å; F127-Y131 VanDerWaalsContact O-N 3.13Å
128F98.9Very high98.2Very high0 Ų037.9 Ų37.90%019%0.188CC..Hα-helixtrans-56.7-42173.8-78.3-73.3000111.6T11 T35 S63 I69 L72 F73 L87 N89 G124 Y131 G132T11-F128 HydrophobicContact CG2-CD1 3.68Å; T11-F128 HydrophobicContact CG2-CD2 3.76Å; T11-F128 HydrophobicContact CG2-CE1 3.68Å; T11-F128 HydrophobicContact CG2-CE2 3.75Å; T11-F128 HydrophobicContact CG2-CG 3.77Å; T11-F128 HydrophobicContact CG2-CZ 3.72Å; T35-F128 HydrophobicContact CG2-CE1 4.47Å; S63-F128 WeakPolarHBondContact OG-CE2 3.3Å; I69-F128 HydrophobicContact CB-CE1 4.45Å; I69-F128 HydrophobicContact CD1-CD2 4.16Å; I69-F128 HydrophobicContact CD1-CE2 3.93Å; I69-F128 HydrophobicContact CD1-CZ 4.15Å; I69-F128 HydrophobicContact CG1-CD1 4.48Å; I69-F128 HydrophobicContact CG1-CE1 4Å; I69-F128 HydrophobicContact CG1-CE2 4.07Å; I69-F128 HydrophobicContact CG1-CZ 3.76Å; I69-F128 HydrophobicContact CG2-CD1 3.78Å; I69-F128 HydrophobicContact CG2-CE1 3.98Å; I69-F128 HydrophobicContact CG2-CG 4.15Å; L72-F128 HydrophobicContact CD2-CD1 4.26Å; L72-F128 HydrophobicContact CD2-CE1 3.67Å; F73-F128 HydrophobicContact CE2-CB 4.42Å; F73-F128 AromaticContact CE2-CD1 3.65Å; F73-F128 HydrophobicContact CE2-CD1 3.65Å; F73-F128 HydrophobicContact CE2-CE1 4.46Å; F73-F128 HydrophobicContact CE2-CG 4.47Å; F73-F128 HydrophobicContact CZ-CB 4.48Å; F73-F128 AromaticContact CZ-CD1 3.99Å; F73-F128 HydrophobicContact CZ-CD1 3.99Å; F73-F128 WeakPolarHBondContact CZ-O 3.38Å; L87-F128 HydrophobicContact CD1-CB 4.3Å; L87-F128 HydrophobicContact CD2-CB 4.22Å; L87-F128 WeakPolarHBondContact CD2-O 3.48Å; N89-F128 WeakPolarHBondContact OD1-CB 3.43Å; G124-F128 WeakPolarHBondContact O-CD2 3.44Å; G124-F128 PolarHBondContact O-N 2.83Å; F128-Y131 PolarHBondContact O-N 3.08Å; F128-G132 PolarHBondContact O-N 3.48Å
129S98.9Very high98.2Very high1 Ų140.4 Ų40.41%0.00720%0.199CC..Hα-helixtrans-68-38.3179.5-54.20000112.4N89 H125 Y126 F127 S133 M175N89-S129 PolarHBondContact ND2-OG 3.31Å; H125-S129 VanDerWaalsContact O-CB 3.32Å; H125-S129 WeakPolarHBondContact O-CB 3.42Å; H125-S129 PolarHBondContact O-N 2.9Å; H125-S129 PolarHBondContact O-OG 2.93Å; Y126-S129 PolarHBondContact O-N 3.4Å; Y126-S129 VanDerWaalsContact O-N 3.17Å; F127-S129 PolarHBondContact O-N 3.4Å; S129-S133 WeakPolarHBondContact O-CB 3.48Å; S129-S133 PolarHBondContact O-N 2.89Å; S129-S133 PolarHBondContact O-OG 3.33Å; S129-M175 WeakPolarHBondContact CB-SD 3.41Å
130V98.9Very high98.2Very high37 Ų3740.2 Ų40.222%0.22421%0.208CC..Hα-helixtrans-60.4-48.7174.9167.90000111.2Y126 F127 S133 R134Y126-V130 HydrophobicContact CD1-CG2 4.22Å; Y126-V130 HydrophobicContact CD2-CG2 4.49Å; Y126-V130 HydrophobicContact CE1-CG2 3.82Å; Y126-V130 HydrophobicContact CE2-CG2 4.11Å; Y126-V130 WeakPolarHBondContact O-CG2 3.48Å; Y126-V130 PolarHBondContact O-N 3.31Å; F127-V130 PolarHBondContact O-N 2.87Å; V130-S133 PolarHBondContact O-OG 3.24Å; V130-S133 VanDerWaalsContact O-OG 3.12Å; V130-R134 WeakPolarHBondContact O-CG 3.25Å; V130-R134 PolarHBondContact O-N 3.34Å
131Y98.9Very high98.4Very high48 Ų4843.3 Ų43.319%0.18822%0.221CC..Hα-helixtrans-75.2-39.7-178.7-71.4-77.3000112.7I69 K70 F73 F127 F128 R134I69-Y131 HydrophobicContact CG2-CD2 3.76Å; I69-Y131 HydrophobicContact CG2-CE2 4.36Å; K70-Y131 HydrophobicContact CB-CE1 3.92Å; K70-Y131 HydrophobicContact CB-CE2 4.3Å; K70-Y131 HydrophobicContact CD-CE1 4.41Å; K70-Y131 HydrophobicContact CG-CE1 3.8Å; F73-Y131 HydrophobicContact CD2-CG 4.08Å; F127-Y131 VanDerWaalsContact O-CD2 3.24Å; F127-Y131 WeakPolarHBondContact O-CD2 3.25Å; F127-Y131 PolarHBondContact O-N 3.16Å; F127-Y131 VanDerWaalsContact O-N 3.13Å; F128-Y131 PolarHBondContact O-N 3.08Å; Y131-R134 PolarHBondContact O-N 2.92Å
132G98.8Very high98.6Very high0 Ų043.6 Ų43.60%022%0.224CC..Hα-helixtrans-65.5-43.4177.300000112.8F128 R134 L135 M136F128-G132 PolarHBondContact O-N 3.48Å; G132-R134 VanDerWaalsContact C-N 3.27Å; G132-R134 PolarHBondContact O-N 2.86Å; G132-L135 PolarHBondContact O-N 3.47Å; G132-L135 VanDerWaalsContact O-N 3.13Å; G132-M136 WeakPolarHBondContact O-CG 3.29Å; G132-M136 PolarHBondContact O-N 3.01Å; G132-M136 VanDerWaalsContact O-N 3.1Å
133S98.8Very high98.6Very high24 Ų2442 Ų4217%0.16822%0.215CC..Hα-helixtrans-63.3-30.9178.360.60000112.9S129 V130 L135 M136 V137S129-S133 WeakPolarHBondContact O-CB 3.48Å; S129-S133 PolarHBondContact O-N 2.89Å; S129-S133 PolarHBondContact O-OG 3.33Å; V130-S133 PolarHBondContact O-OG 3.24Å; V130-S133 VanDerWaalsContact O-OG 3.12Å; S133-L135 VanDerWaalsContact C-N 3.26Å; S133-L135 PolarHBondContact O-N 3.37Å; S133-M136 PolarHBondContact O-N 3.13Å; S133-V137 WeakPolarHBondContact O-CB 3.38Å; S133-V137 WeakPolarHBondContact O-CG2 3.27Å; S133-V137 PolarHBondContact O-N 3.45Å
134R98.8Very high98.6Very high148 Ų14837.3 Ų37.356%0.55820%0.198SC*.Hα-helixtrans-58.7-38.9174.3-73.8167178.1167.2-0.2112.3V130 Y131 G132 A138V130-R134 WeakPolarHBondContact O-CG 3.25Å; V130-R134 PolarHBondContact O-N 3.34Å; Y131-R134 PolarHBondContact O-N 2.92Å; G132-R134 VanDerWaalsContact C-N 3.27Å; G132-R134 PolarHBondContact O-N 2.86Å; R134-A138 WeakPolarHBondContact O-CB 3.41Å; R134-A138 PolarHBondContact O-N 2.85Å
135L98.8Very high98.7Very high19 Ų1937.3 Ų37.310%0.09920%0.198CC..Hα-helixtrans-72-50.3175.4-59.7-176.8000110.7F73 I76 K77 L84 G132 S133 V137 A138 Q139F73-L135 HydrophobicContact CD1-CD1 4.09Å; I76-L135 HydrophobicContact CG2-CD1 4.12Å; K77-L135 HydrophobicContact CB-CD2 4.08Å; K77-L135 HydrophobicContact CD-CD2 4.19Å; K77-L135 HydrophobicContact CG-CD2 4.14Å; L84-L135 HydrophobicContact CB-CB 4.01Å; L84-L135 HydrophobicContact CB-CD1 4.12Å; L84-L135 HydrophobicContact CD2-CD1 4.37Å; G132-L135 PolarHBondContact O-N 3.47Å; G132-L135 VanDerWaalsContact O-N 3.13Å; S133-L135 VanDerWaalsContact C-N 3.26Å; S133-L135 PolarHBondContact O-N 3.37Å; L135-V137 PolarHBondContact O-N 2.97Å; L135-A138 PolarHBondContact O-N 2.77Å; L135-Q139 WeakPolarHBondContact O-CB 3.45Å; L135-Q139 PolarHBondContact O-N 2.79Å
136M98.8Very high98.7Very high0 Ų037.2 Ų37.20%020%0.197CC..Hα-helixtrans-60.7-40.8-178.5-65.4176.3174.100113.2L84 L87 G132 S133 Q139 G140 H141 I144 V184L84-M136 HydrophobicContact CB-CG 4.47Å; L84-M136 HydrophobicContact CD2-CE 3.79Å; L84-M136 HydrophobicContact CD2-CG 4.31Å; L84-M136 HydrophobicContact CG-CE 3.75Å; L84-M136 HydrophobicContact CG-CG 4.35Å; L84-M136 WeakPolarHBondContact O-CG 3.21Å; L87-M136 HydrophobicContact CB-CE 3.66Å; G132-M136 WeakPolarHBondContact O-CG 3.29Å; G132-M136 PolarHBondContact O-N 3.01Å; G132-M136 VanDerWaalsContact O-N 3.1Å; S133-M136 PolarHBondContact O-N 3.13Å; M136-Q139 CarbonylContact O-C 3.58Å; M136-Q139 PolarHBondContact O-N 3.32Å; M136-G140 PolarHBondContact O-N 2.94Å; M136-H141 WeakPolarHBondContact CA-O 3.37Å; M136-H141 PolarHBondContact O-N 2.76Å; M136-H141 VanDerWaalsContact O-O 3.07Å; M136-I144 HydrophobicContact CE-CG1 4.11Å; M136-I144 HydrophobicContact SD-CD1 4.1Å; M136-I144 HydrophobicContact SD-CG1 3.64Å; M136-V184 HydrophobicContact CB-CG1 4.16Å; M136-V184 HydrophobicContact CB-CG2 3.65Å; M136-V184 HydrophobicContact SD-CG1 3.86Å
137V98.8Very high98.6Very high48 Ų4831.4 Ų31.429%0.29118%0.175SC..Hα-helixtrans-68.7-39.8178.6168.70000111.2S133 L135 Q139 G140 L179 R182 V184S133-V137 WeakPolarHBondContact O-CB 3.38Å; S133-V137 WeakPolarHBondContact O-CG2 3.27Å; S133-V137 PolarHBondContact O-N 3.45Å; L135-V137 PolarHBondContact O-N 2.97Å; V137-Q139 VanDerWaalsContact C-N 3.28Å; V137-Q139 PolarHBondContact O-N 3.42Å; V137-G140 PolarHBondContact O-N 2.72Å; V137-L179 HydrophobicContact CG2-CD2 3.62Å; V137-R182 HydrophobicContact CB-CB 4.46Å; V137-R182 HydrophobicContact CG1-CB 4.12Å; V137-R182 HydrophobicContact CG1-CG 3.92Å; V137-R182 HydrophobicContact CG2-CB 3.97Å; V137-R182 HydrophobicContact CG2-CG 4.21Å; V137-V184 HydrophobicContact CG2-CG2 4.26Å
138A98.4Very high98.6Very high89 Ų8929.2 Ų29.274%0.73617%0.166SC*.Hα-helixtrans-64.9-35.9174.700000111.7R134 L135 G140R134-A138 WeakPolarHBondContact O-CB 3.41Å; R134-A138 PolarHBondContact O-N 2.85Å; L135-A138 PolarHBondContact O-N 2.77Å; A138-G140 VanDerWaalsContact C-N 3.33Å
139Q97.3Very high98.4Very high58 Ų5829.8 Ų29.827%0.27117%0.17SC..Hα-helixtrans-74.6-19.9175.2-179.5174.7-23.600113.3D85 L135 M136 V137 H141D85-Q139 PolarHBondContact OD1-NE2 2.54Å; L135-Q139 WeakPolarHBondContact O-CB 3.45Å; L135-Q139 PolarHBondContact O-N 2.79Å; M136-Q139 CarbonylContact O-C 3.58Å; M136-Q139 PolarHBondContact O-N 3.32Å; V137-Q139 VanDerWaalsContact C-N 3.28Å; V137-Q139 PolarHBondContact O-N 3.42Å; Q139-H141 VanDerWaalsContact C-N 3.27Å; Q139-H141 PolarHBondContact NE2-CE1 3Å; Q139-H141 PolarHBondContact NE2-NE2 2.73Å; Q139-H141 PolarHBondContact O-N 3.41Å
140G98Very high98Very high40 Ų4033.2 Ų33.241%0.41219%0.187SC..THydrogen-bonded Turntrans77.57.1-179.100000114.7M136 V137 A138 R182M136-G140 PolarHBondContact O-N 2.94Å; V137-G140 PolarHBondContact O-N 2.72Å; A138-G140 VanDerWaalsContact C-N 3.33Å; G140-R182 CarbonylContact C-O 3.57Å; G140-R182 VanDerWaalsContact C-O 3.3Å
141H98.1Very high97.6Very high79 Ų7931.6 Ų31.637%0.36618%0.177SC..  trans-155.2159.7170.674.593.7000111.7D85 M136 Q139 G183D85-H141 IonicContact OD1-CE1 3.26Å; D85-H141 PolarHBondContact OD1-CE1 3.48Å; D85-H141 VanDerWaalsContact OD1-CE1 3.26Å; M136-H141 WeakPolarHBondContact CA-O 3.37Å; M136-H141 PolarHBondContact O-N 2.76Å; M136-H141 VanDerWaalsContact O-O 3.07Å; Q139-H141 VanDerWaalsContact C-N 3.27Å; Q139-H141 PolarHBondContact NE2-CE1 3Å; Q139-H141 PolarHBondContact NE2-NE2 2.73Å; Q139-H141 PolarHBondContact O-N 3.41Å; H141-G183 WeakPolarHBondContact CA-O 3.38Å
142G98.6Very high97.1Very high8 Ų830.2 Ų30.28%0.08218%0.178CC..EExtended strand (participates in β ladder)trans170.2168.3175.800000112.3D85 V184 T185D85-G142 CarbonylContact O-C 3.58Å; G142-V184 WeakPolarHBondContact O-CA 3.41Å; G142-T185 PolarHBondContact O-N 3.19Å
143F98.9Very high96.6Very high3 Ų332.5 Ų32.51%0.01319%0.19CC..EExtended strand (participates in β ladder)trans-138.4114-178.1-179.7-150.4000111.6D85 I86 L87 V145 T185 I187 I233 L236 A237 L242D85-F143 PolarHBondContact O-N 2.83Å; I86-F143 CarbonylContact C-O 3.56Å; I86-F143 VanDerWaalsContact CA-O 3.28Å; I86-F143 WeakPolarHBondContact CA-O 3.36Å; I86-F143 HydrophobicContact CD1-CD1 4.33Å; I86-F143 HydrophobicContact CG1-CB 4.34Å; I86-F143 HydrophobicContact CG1-CD1 4.27Å; I86-F143 HydrophobicContact CG2-CD1 4.3Å; L87-F143 PolarHBondContact N-O 2.53Å; F143-V145 HydrophobicContact CD1-CG2 4.2Å; F143-V145 HydrophobicContact CD2-CG2 4.17Å; F143-V145 HydrophobicContact CE1-CG2 3.62Å; F143-V145 HydrophobicContact CE2-CG2 3.59Å; F143-V145 HydrophobicContact CG-CG2 4.45Å; F143-V145 HydrophobicContact CZ-CG2 3.27Å; F143-T185 WeakPolarHBondContact CA-O 3.3Å; F143-T185 HydrophobicContact CD2-CG2 4.04Å; F143-T185 HydrophobicContact CE2-CG2 4.2Å; F143-I187 HydrophobicContact CE2-CG1 3.57Å; F143-I187 HydrophobicContact CE2-CG2 4.38Å; F143-I187 HydrophobicContact CZ-CG1 3.95Å; F143-I233 HydrophobicContact CE1-CG2 4.14Å; F143-L236 HydrophobicContact CE1-CB 4Å; F143-L236 HydrophobicContact CZ-CB 4Å; F143-L236 HydrophobicContact CZ-CD1 4.16Å; F143-A237 HydrophobicContact CD1-CB 4.45Å; F143-L242 HydrophobicContact CB-CD2 4.28Å; F143-L242 HydrophobicContact CD1-CD2 4.07Å; F143-L242 HydrophobicContact CD2-CD1 4.38Å; F143-L242 HydrophobicContact CD2-CD2 4Å; F143-L242 HydrophobicContact CE1-CD2 4.38Å; F143-L242 HydrophobicContact CE2-CD1 3.91Å; F143-L242 HydrophobicContact CE2-CD2 4.32Å; F143-L242 HydrophobicContact CG-CD2 3.87Å; F143-L242 HydrophobicContact CZ-CD1 3.99Å; F143-L242 HydrophobicContact CZ-CD2 4.5Å
144I98.9Very high96.1Very high0 Ų034.4 Ų34.40%020%0.196CC..EExtended strand (participates in β ladder)trans-104.1125.1176.9-54.7-179.8000109.2L87 M136 M175 L179 V184 T185 S186 I187L87-I144 HydrophobicContact CB-CG1 4.4Å; L87-I144 HydrophobicContact CD2-CG2 4.38Å; L87-I144 CarbonylContact O-C 3.49Å; L87-I144 WeakPolarHBondContact O-CA 3.34Å; M136-I144 HydrophobicContact CE-CG1 4.11Å; M136-I144 HydrophobicContact SD-CD1 4.1Å; M136-I144 HydrophobicContact SD-CG1 3.64Å; I144-M175 HydrophobicContact CG2-CE 4.17Å; I144-L179 HydrophobicContact CD1-CD1 3.8Å; I144-V184 HydrophobicContact CD1-CG1 4.38Å; I144-V184 HydrophobicContact CG1-CG1 4.36Å; I144-T185 PolarHBondContact N-O 3.24Å; I144-S186 WeakPolarHBondContact O-CA 3.45Å; I144-I187 PolarHBondContact O-N 3.38Å
145V98.9Very high95.7Very high0 Ų033.9 Ų33.90%020%0.195CC..EExtended strand (participates in β ladder)trans-115121.8174.7178.90000108.6L87 V88 N89 F143 I187 L189 I233L87-V145 PolarHBondContact O-N 3.3Å; V88-V145 CarbonylContact C-O 3.58Å; V88-V145 WeakPolarHBondContact CA-O 3.46Å; V88-V145 HydrophobicContact CG1-CB 4.44Å; V88-V145 HydrophobicContact CG1-CG1 4.48Å; V88-V145 HydrophobicContact CG2-CB 4.39Å; N89-V145 PolarHBondContact N-O 2.79Å; F143-V145 HydrophobicContact CD1-CG2 4.2Å; F143-V145 HydrophobicContact CD2-CG2 4.17Å; F143-V145 HydrophobicContact CE1-CG2 3.62Å; F143-V145 HydrophobicContact CE2-CG2 3.59Å; F143-V145 HydrophobicContact CG-CG2 4.45Å; F143-V145 HydrophobicContact CZ-CG2 3.27Å; V145-I187 HydrophobicContact CB-CD1 4.37Å; V145-I187 HydrophobicContact CG1-CD1 3.86Å; V145-I187 HydrophobicContact CG2-CD1 4.15Å; V145-I187 HydrophobicContact CG2-CG1 4.22Å; V145-L189 HydrophobicContact CG1-CB 3.72Å; V145-L189 HydrophobicContact CG1-CD2 4.2Å; V145-I233 HydrophobicContact CB-CD1 4.48Å; V145-I233 HydrophobicContact CG1-CD1 4.01Å; V145-I233 HydrophobicContact CG1-CG1 4.32Å; V145-I233 HydrophobicContact CG2-CD1 4.43Å; V145-I233 HydrophobicContact CG2-CG1 4.27Å; V145-I233 HydrophobicContact CG2-CG2 4.46Å
146T98.9Very high95.3Very high0 Ų034.2 Ų34.20%020%0.197CC..EExtended strand (participates in β ladder)trans-105.1119.6170.7-58.80000109.7N89 S148 C168 I187 S188 L189N89-T146 HydrophobicContact CB-CG2 4.31Å; T146-S148 PolarHBondContact O-N 3.19Å; T146-C168 HydrophobicContact CG2-CB 3.8Å; T146-I187 PolarHBondContact N-O 3.48Å; T146-S188 CarbonylContact O-C 3.6Å; T146-S188 WeakPolarHBondContact O-CA 3.02Å; T146-L189 PolarHBondContact O-N 2.76Å
147V98.5Very high94.9Very high8 Ų835.9 Ų35.95%0.04820%0.204CC..EExtended strand (participates in β ladder)trans-79.2107.4179.4-1790000109.6I21 V88 N89 N90 K165 P191I21-V147 HydrophobicContact CD1-CG2 4.38Å; V88-V147 HydrophobicContact CG1-CG2 4.2Å; N89-V147 PolarHBondContact O-N 3.49Å; N90-V147 HydrophobicContact CB-CB 4.44Å; N90-V147 HydrophobicContact CB-CG2 3.92Å; V147-K165 PolarHBondContact O-NZ 2.95Å; V147-P191 HydrophobicContact CG1-CG 3.88Å
148S97.4Very high94.6Very high4 Ų434.3 Ų34.33%0.02819%0.194CC..  trans-112.9-159.2176.6-167.30000110.6T146 K165 D169 S188 L189T146-S148 PolarHBondContact O-N 3.19Å; S148-K165 PolarHBondContact OG-O 3.41Å; S148-D169 WeakPolarHBondContact CB-OD1 3.48Å; S148-D169 PolarHBondContact OG-OD1 2.67Å; S148-D169 PolarHBondContact OG-OD2 2.88Å; S148-S188 WeakPolarHBondContact CB-OG 3.4Å; S148-L189 PolarHBondContact N-O 3.09Å
149S94.7Very high94.5Very high12 Ų1233 Ų338%0.08418%0.177CC..  trans-162.1173.2177.977.90000111.2G151 G152 Y161 W190S149-G151 PolarHBondContact O-N 2.96Å; S149-G151 PolarHBondContact OG-N 3.23Å; S149-G151 VanDerWaalsContact OG-N 3.08Å; S149-G152 PolarHBondContact O-N 3.11Å; S149-Y161 VanDerWaalsContact CB-OH 3.31Å; S149-Y161 WeakPolarHBondContact CB-OH 3.45Å; S149-Y161 PolarHBondContact OG-OH 3.49Å; S149-W190 VanDerWaalsContact O-CE2 3.24Å; S149-W190 WeakPolarHBondContact O-CZ2 2.87Å
150M90.3Very high94.5Very high73 Ų7330.6 Ų30.636%0.3617%0.167SC..G310 helixtrans-56.9-18.4172-162.6175.8-72.200113.9G152 L153 H154 W190M150-G152 PolarHBondContact O-N 3.2Å; M150-L153 WeakPolarHBondContact O-CB 3.31Å; M150-L153 PolarHBondContact O-N 3.13Å; M150-H154 WeakPolarHBondContact CG-NE2 3.31Å; M150-H154 PolarHBondContact O-N 3.41Å; M150-W190 HydrophobicContact CB-CE3 4.35Å; M150-W190 HydrophobicContact CB-CZ3 4.27Å; M150-W190 HydrophobicContact CG-CZ3 4.28Å
151G90.4Very high94.4Very high2 Ų229.9 Ų29.92%0.02115%0.152CC..G310 helixtrans-62.3-17.4171.800000114.2S149 L153 H154 G162S149-G151 PolarHBondContact O-N 2.96Å; S149-G151 PolarHBondContact OG-N 3.23Å; S149-G151 VanDerWaalsContact OG-N 3.08Å; G151-L153 PolarHBondContact O-N 3.4Å; G151-H154 CarbonylContact C-O 3.55Å; G151-H154 WeakPolarHBondContact CA-O 3.47Å; G151-G162 VanDerWaalsContact O-CA 3.3Å; G151-G162 WeakPolarHBondContact O-CA 3.46Å
152G89.3Confident94.3Very high19 Ų1926.7 Ų26.720%0.19614%0.14CC..G310 helixtrans-72.6-16.1171.300000114.1S149 M150 A166S149-G152 PolarHBondContact O-N 3.11Å; M150-G152 PolarHBondContact O-N 3.2Å; G152-A166 VanDerWaalsContact CA-N 3.29Å; G152-A166 WeakPolarHBondContact O-CB 3.38Å
153L88.8Confident94.2Very high48 Ų4829.5 Ų29.525%0.25116%0.156SC..THydrogen-bonded Turntrans-100.4-35.6-179.7-172.964.3000112.9M150 G151 W190 L303 N307M150-L153 WeakPolarHBondContact O-CB 3.31Å; M150-L153 PolarHBondContact O-N 3.13Å; G151-L153 PolarHBondContact O-N 3.4Å; L153-W190 HydrophobicContact CB-CH2 3.92Å; L153-W190 HydrophobicContact CD2-CH2 4.44Å; L153-L303 HydrophobicContact CD2-CB 4.04Å; L153-N307 HydrophobicContact CD1-CB 3.84Å; L153-N307 HydrophobicContact CG-CB 3.78Å; L153-N307 WeakPolarHBondContact O-CB 3.13Å
154H88.3Confident94.2Very high65 Ų6529.5 Ų29.530%0.30116%0.157SC..SBendtrans-145.2169-17969.276.9000112M150 G151 L156 N307M150-H154 WeakPolarHBondContact CG-NE2 3.31Å; M150-H154 PolarHBondContact O-N 3.41Å; G151-H154 CarbonylContact C-O 3.55Å; G151-H154 WeakPolarHBondContact CA-O 3.47Å; H154-L156 PolarHBondContact O-N 2.87Å; H154-L156 VanDerWaalsContact O-N 3.16Å; H154-N307 WeakPolarHBondContact CB-OD1 3.32Å
155Y90.6Very high94.1Very high136 Ų13630.3 Ų30.353%0.53316%0.16SC..  trans-58.9121.9176.6-179.7-92000110.8F157 V159Y155-F157 PolarHBondContact OH-O 2.95Å; Y155-V159 HydrophobicContact CE2-CG2 4.31Å
156L89.3Confident94Very high26 Ų2632.2 Ų32.214%0.13618%0.176CC..  trans-141.1132.3174.9-172.363000109.2H154 N158 Y161 Y216H154-L156 PolarHBondContact O-N 2.87Å; H154-L156 VanDerWaalsContact O-N 3.16Å; L156-N158 VanDerWaalsContact C-N 3.29Å; L156-N158 PolarHBondContact O-N 3.02Å; L156-Y161 HydrophobicContact CB-CD1 4.26Å; L156-Y161 HydrophobicContact CB-CE1 4.1Å; L156-Y161 HydrophobicContact CD2-CE1 3.91Å; L156-Y161 HydrophobicContact CG-CE1 4.14Å; L156-Y161 VanDerWaalsContact O-CD1 3.25Å; L156-Y161 WeakPolarHBondContact O-CD1 3.48Å; L156-Y216 WeakPolarHBondContact CD1-OH 3.09Å
157F90.7Very high93.9Very high36 Ų3633.8 Ų33.816%0.15819%0.189CC..SBendtrans60.3-70.9-177.1-50.9-48.2000115.7I98 M102 Y155 Y161 Y216I98-F157 HydrophobicContact CG2-CB 3.7Å; I98-F157 HydrophobicContact CG2-CD2 4.41Å; I98-F157 HydrophobicContact CG2-CG 4.02Å; M102-F157 HydrophobicContact CE-CD1 4.07Å; M102-F157 HydrophobicContact SD-CD1 4.48Å; Y155-F157 PolarHBondContact OH-O 2.95Å; F157-Y161 AromaticContact CD2-CD1 3.85Å; F157-Y161 HydrophobicContact CD2-CD1 3.85Å; F157-Y161 HydrophobicContact CD2-CD2 4.25Å; F157-Y161 AromaticContact CD2-CE1 3.73Å; F157-Y161 HydrophobicContact CD2-CE1 3.73Å; F157-Y161 HydrophobicContact CD2-CE2 4.13Å; F157-Y161 HydrophobicContact CD2-CG 4.09Å; F157-Y161 AromaticContact CD2-CZ 3.85Å; F157-Y161 HydrophobicContact CE2-CE1 4.12Å; F157-Y161 HydrophobicContact CE2-CE2 4.42Å; F157-Y161 AromaticContact CE2-CZ 3.95Å; F157-Y216 HydrophobicContact CE1-CD1 4.49Å; F157-Y216 AromaticContact CE1-CE1 3.89Å; F157-Y216 HydrophobicContact CE1-CE1 3.89Å; F157-Y216 HydrophobicContact CZ-CE1 4.43Å
158N93.4Very high93.9Very high15 Ų1533.4 Ų33.48%0.0819%0.186CC..  trans-154.7174.6178.66734000111.7L156 A160 Y161 G162L156-N158 VanDerWaalsContact C-N 3.29Å; L156-N158 PolarHBondContact O-N 3.02Å; N158-A160 PolarHBondContact OD1-N 2.9Å; N158-Y161 VanDerWaalsContact OD1-CB 3.31Å; N158-Y161 WeakPolarHBondContact OD1-CB 3.38Å; N158-Y161 PolarHBondContact OD1-N 3.16Å; N158-G162 PolarHBondContact O-N 3.35Å
159V96.1Very high94Very high61 Ų6134.2 Ų34.237%0.3719%0.19SC..Hα-helixtrans-62.7-47.5-176.4175.40000111.7F106 Y155 Y161 G162 V163F106-V159 HydrophobicContact CB-CB 4.13Å; F106-V159 HydrophobicContact CB-CG2 3.77Å; F106-V159 HydrophobicContact CD1-CG2 3.99Å; F106-V159 HydrophobicContact CG-CG2 4.12Å; Y155-V159 HydrophobicContact CE2-CG2 4.31Å; V159-Y161 VanDerWaalsContact C-N 3.32Å; V159-Y161 PolarHBondContact O-N 2.86Å; V159-G162 PolarHBondContact O-N 2.81Å; V159-V163 HydrophobicContact CG1-CG2 4.19Å; V159-V163 WeakPolarHBondContact O-CG2 3.35Å; V159-V163 PolarHBondContact O-N 2.98Å
160A96.6Very high94.1Very high8 Ų841.2 Ų41.27%0.06622%0.215CC..Hα-helixtrans-61.2-39.9-177.200000112.3W114 I117 N118 N158 G164W114-A160 HydrophobicContact CE3-CB 4.04Å; I117-A160 HydrophobicContact CD1-CB 3.72Å; N118-A160 PolarHBondContact ND2-O 3.16Å; N118-A160 VanDerWaalsContact ND2-O 3.07Å; N158-A160 PolarHBondContact OD1-N 2.9Å; A160-G164 PolarHBondContact O-N 2.87Å
161Y96.1Very high94.5Very high25 Ų2538.9 Ų38.910%0.09820%0.204CC..Hα-helixtrans-63.2-53.8175.2178.2-94.6000112.4Y92 I98 S149 L156 F157 N158 V159 V163 G164 K165Y92-Y161 WeakPolarHBondContact OH-CD2 3.26Å; I98-Y161 HydrophobicContact CD1-CD2 3.56Å; I98-Y161 HydrophobicContact CD1-CE2 4.35Å; I98-Y161 HydrophobicContact CD1-CG 4.12Å; S149-Y161 VanDerWaalsContact CB-OH 3.31Å; S149-Y161 WeakPolarHBondContact CB-OH 3.45Å; S149-Y161 PolarHBondContact OG-OH 3.49Å; L156-Y161 HydrophobicContact CB-CD1 4.26Å; L156-Y161 HydrophobicContact CB-CE1 4.1Å; L156-Y161 HydrophobicContact CD2-CE1 3.91Å; L156-Y161 HydrophobicContact CG-CE1 4.14Å; L156-Y161 VanDerWaalsContact O-CD1 3.25Å; L156-Y161 WeakPolarHBondContact O-CD1 3.48Å; F157-Y161 AromaticContact CD2-CD1 3.85Å; F157-Y161 HydrophobicContact CD2-CD1 3.85Å; F157-Y161 HydrophobicContact CD2-CD2 4.25Å; F157-Y161 AromaticContact CD2-CE1 3.73Å; F157-Y161 HydrophobicContact CD2-CE1 3.73Å; F157-Y161 HydrophobicContact CD2-CE2 4.13Å; F157-Y161 HydrophobicContact CD2-CG 4.09Å; F157-Y161 AromaticContact CD2-CZ 3.85Å; F157-Y161 HydrophobicContact CE2-CE1 4.12Å; F157-Y161 HydrophobicContact CE2-CE2 4.42Å; F157-Y161 AromaticContact CE2-CZ 3.95Å; N158-Y161 VanDerWaalsContact OD1-CB 3.31Å; N158-Y161 WeakPolarHBondContact OD1-CB 3.38Å; N158-Y161 PolarHBondContact OD1-N 3.16Å; V159-Y161 VanDerWaalsContact C-N 3.32Å; V159-Y161 PolarHBondContact O-N 2.86Å; Y161-V163 PolarHBondContact O-N 3.37Å; Y161-G164 PolarHBondContact O-N 3.29Å; Y161-K165 HydrophobicContact CD1-CG 4.43Å; Y161-K165 HydrophobicContact CD2-CG 4.42Å; Y161-K165 HydrophobicContact CE1-CG 4.05Å; Y161-K165 HydrophobicContact CE2-CG 4.08Å; Y161-K165 WeakPolarHBondContact O-CG 3.47Å; Y161-K165 PolarHBondContact O-N 2.79Å
162G95.4Very high94.9Very high11 Ų1138.8 Ų38.811%0.11320%0.203CC..Hα-helixtrans-61.1-45.9-176.700000112G151 N158 V159 G164 K165 A166G151-G162 VanDerWaalsContact O-CA 3.3Å; G151-G162 WeakPolarHBondContact O-CA 3.46Å; N158-G162 PolarHBondContact O-N 3.35Å; V159-G162 PolarHBondContact O-N 2.81Å; G162-G164 PolarHBondContact O-N 2.9Å; G162-K165 PolarHBondContact O-N 3.46Å; G162-A166 WeakPolarHBondContact O-CB 3.34Å; G162-A166 PolarHBondContact O-N 3.48Å
163V97Very high95.4Very high68 Ų6839.3 Ų39.341%0.41221%0.206SC..Hα-helixtrans-61.6-44.4175.6176.20000111W114 V159 Y161 K165 A166 A167W114-V163 HydrophobicContact CH2-CB 4.31Å; W114-V163 HydrophobicContact CH2-CG1 3.63Å; W114-V163 HydrophobicContact CZ3-CB 4.08Å; W114-V163 HydrophobicContact CZ3-CG1 3.88Å; V159-V163 HydrophobicContact CG1-CG2 4.19Å; V159-V163 WeakPolarHBondContact O-CG2 3.35Å; V159-V163 PolarHBondContact O-N 2.98Å; Y161-V163 PolarHBondContact O-N 3.37Å; V163-K165 VanDerWaalsContact C-N 3.33Å; V163-K165 PolarHBondContact O-N 3.03Å; V163-A166 PolarHBondContact O-N 2.87Å; V163-A167 VanDerWaalsContact O-CB 3.3Å; V163-A167 WeakPolarHBondContact O-CB 3.36Å; V163-A167 PolarHBondContact O-N 3.01Å
164G97.7Very high95.9Very high3 Ų340.8 Ų40.83%0.03121%0.213CC..Hα-helixtrans-57.4-43.8177.300000113.1N118 A160 Y161 G162 A167 C168N118-G164 WeakPolarHBondContact OD1-CA 3.46Å; A160-G164 PolarHBondContact O-N 2.87Å; Y161-G164 PolarHBondContact O-N 3.29Å; G162-G164 PolarHBondContact O-N 2.9Å; G164-A167 PolarHBondContact O-N 3.02Å; G164-C168 PolarHBondContact O-N 2.96Å; G164-C168 PolarHBondContact O-SG 2.91Å
165K97.1Very high96.4Very high16 Ų1638.8 Ų38.87%0.0720%0.204CC..Hα-helixtrans-74-37.3179.8-65.7-66.7171.5-159.70112.8V147 S148 Y161 G162 V163 A167 C168 D169V147-K165 PolarHBondContact O-NZ 2.95Å; S148-K165 PolarHBondContact OG-O 3.41Å; Y161-K165 HydrophobicContact CD1-CG 4.43Å; Y161-K165 HydrophobicContact CD2-CG 4.42Å; Y161-K165 HydrophobicContact CE1-CG 4.05Å; Y161-K165 HydrophobicContact CE2-CG 4.08Å; Y161-K165 WeakPolarHBondContact O-CG 3.47Å; Y161-K165 PolarHBondContact O-N 2.79Å; G162-K165 PolarHBondContact O-N 3.46Å; V163-K165 VanDerWaalsContact C-N 3.33Å; V163-K165 PolarHBondContact O-N 3.03Å; K165-A167 VanDerWaalsContact C-N 3.29Å; K165-A167 PolarHBondContact O-N 3.18Å; K165-C168 WeakPolarHBondContact O-CB 3.32Å; K165-C168 PolarHBondContact O-N 3.44Å; K165-D169 PolarHBondContact O-N 3.18Å
166A96.8Very high96.8Very high41 Ų4132.4 Ų32.434%0.33918%0.18SC..Hα-helixtrans-61.5-41.2171.300000111.2G152 G162 V163 D169 R170G152-A166 VanDerWaalsContact CA-N 3.29Å; G152-A166 WeakPolarHBondContact O-CB 3.38Å; G162-A166 WeakPolarHBondContact O-CB 3.34Å; G162-A166 PolarHBondContact O-N 3.48Å; V163-A166 PolarHBondContact O-N 2.87Å; A166-D169 PolarHBondContact O-N 3.49Å; A166-R170 PolarHBondContact O-N 2.87Å
167A98.3Very high97.2Very high32 Ų3236.6 Ų36.626%0.26421%0.206SC..Hα-helixtrans-67.2-35175.400000112.4L122 V163 G164 K165 R170 L171L122-A167 HydrophobicContact CD1-CB 3.57Å; L122-A167 HydrophobicContact CD2-CB 3.6Å; L122-A167 HydrophobicContact CG-CB 4.24Å; V163-A167 VanDerWaalsContact O-CB 3.3Å; V163-A167 WeakPolarHBondContact O-CB 3.36Å; V163-A167 PolarHBondContact O-N 3.01Å; G164-A167 PolarHBondContact O-N 3.02Å; K165-A167 VanDerWaalsContact C-N 3.29Å; K165-A167 PolarHBondContact O-N 3.18Å; A167-R170 PolarHBondContact O-N 3.17Å; A167-L171 WeakPolarHBondContact O-CB 3.3Å; A167-L171 PolarHBondContact O-N 2.98Å
168C98.5Very high97.6Very high0 Ų042.4 Ų42.40%023%0.234CC..Hα-helixtrans-63.5-42.1173-72.20000112.4G121 T146 G164 K165 L171 A172G121-C168 PolarHBondContact O-SG 3.02Å; G121-C168 VanDerWaalsContact O-SG 3.38Å; T146-C168 HydrophobicContact CG2-CB 3.8Å; G164-C168 PolarHBondContact O-N 2.96Å; G164-C168 PolarHBondContact O-SG 2.91Å; K165-C168 WeakPolarHBondContact O-CB 3.32Å; K165-C168 PolarHBondContact O-N 3.44Å; C168-L171 PolarHBondContact O-N 3.33Å; C168-A172 PolarHBondContact O-N 2.87Å; C168-A172 VanDerWaalsContact O-N 3.08Å
169D98.1Very high97.9Very high21 Ų2142.4 Ų42.411%0.11223%0.234CC..Hα-helixtrans-64.3-44.9176.5-66.3-30.6000111S148 K165 A166 A172 A173 S188 W190 V249S148-D169 WeakPolarHBondContact CB-OD1 3.48Å; S148-D169 PolarHBondContact OG-OD1 2.67Å; S148-D169 PolarHBondContact OG-OD2 2.88Å; K165-D169 PolarHBondContact O-N 3.18Å; A166-D169 PolarHBondContact O-N 3.49Å; D169-A172 PolarHBondContact O-N 3.08Å; D169-A173 WeakPolarHBondContact O-CB 3.35Å; D169-A173 PolarHBondContact O-N 3.34Å; D169-S188 WeakPolarHBondContact OD1-CB 3.42Å; D169-S188 PolarHBondContact OD1-OG 3.3Å; D169-W190 PolarHBondContact OD1-NE1 2.89Å; D169-W190 VanDerWaalsContact OD2-CZ2 3.3Å; D169-W190 WeakPolarHBondContact OD2-CZ2 3.3Å; D169-W190 PolarHBondContact OD2-NE1 3.31Å; D169-V249 HydrophobicContact CB-CG2 4.31Å
170R98.2Very high98Very high160 Ų16045.5 Ų45.560%0.60424%0.243SC*.Hα-helixtrans-62.1-44175.31805662.5146.36.7111.8A166 A167 A172 A173 D174A166-R170 PolarHBondContact O-N 2.87Å; A167-R170 PolarHBondContact O-N 3.17Å; R170-A172 VanDerWaalsContact C-N 3.35Å; R170-A172 PolarHBondContact O-N 3.15Å; R170-A173 PolarHBondContact O-N 3.16Å; R170-D174 VanDerWaalsContact CD-CG 3.45Å; R170-D174 VanDerWaalsContact CD-OD1 3.22Å; R170-D174 WeakPolarHBondContact CD-OD1 3.37Å; R170-D174 WeakPolarHBondContact CD-OD2 3.34Å; R170-D174 IonicContact NH1-OD1 2.76Å; R170-D174 PolarHBondContact O-N 3.48Å
171L98.7Very high98Very high23 Ų2350.2 Ų50.212%0.1228%0.275CS..Hα-helixtrans-55.6-49.2177.4174.264000110.9H125 Y126 A167 C168 M175H125-L171 HydrophobicContact CB-CD2 4Å; Y126-L171 HydrophobicContact CD2-CD1 3.79Å; A167-L171 WeakPolarHBondContact O-CB 3.3Å; A167-L171 PolarHBondContact O-N 2.98Å; C168-L171 PolarHBondContact O-N 3.33Å; L171-M175 HydrophobicContact CD1-CE 4.12Å; L171-M175 HydrophobicContact CD1-CG 4.08Å; L171-M175 HydrophobicContact CD1-SD 3.82Å; L171-M175 HydrophobicContact CG-CE 3.8Å; L171-M175 HydrophobicContact CG-SD 4.19Å; L171-M175 WeakPolarHBondContact O-CB 3.5Å; L171-M175 WeakPolarHBondContact O-CG 3.49Å; L171-M175 PolarHBondContact O-N 3.48Å
172A98.8Very high98.1Very high1 Ų156.3 Ų56.31%0.00830%0.298CS..Hα-helixtrans-64-40.3177.500000112.7C168 D169 R170 A176 S186C168-A172 PolarHBondContact O-N 2.87Å; C168-A172 VanDerWaalsContact O-N 3.08Å; D169-A172 PolarHBondContact O-N 3.08Å; R170-A172 VanDerWaalsContact C-N 3.35Å; R170-A172 PolarHBondContact O-N 3.15Å; A172-A176 WeakPolarHBondContact O-CB 3.49Å; A172-A176 PolarHBondContact O-N 2.99Å; A172-S186 PolarHBondContact O-OG 2.87Å
173A98.7Very high98.2Very high30 Ų3057.2 Ų57.225%0.24831%0.308CS..Hα-helixtrans-65-46.717900000112.6D169 R170 A176 V177D169-A173 WeakPolarHBondContact O-CB 3.35Å; D169-A173 PolarHBondContact O-N 3.34Å; R170-A173 PolarHBondContact O-N 3.16Å; A173-A176 WeakPolarHBondContact O-CB 3.18Å; A173-A176 PolarHBondContact O-N 3.15Å; A173-V177 PolarHBondContact O-N 3.13Å
174D98.9Very high98.3Very high78 Ų7854 Ų5442%0.41729%0.288SS..Hα-helixtrans-72.2-41.1-177.5-67.6-5.4000110.9R170 A176 V177 E178R170-D174 VanDerWaalsContact CD-CG 3.45Å; R170-D174 VanDerWaalsContact CD-OD1 3.22Å; R170-D174 WeakPolarHBondContact CD-OD1 3.37Å; R170-D174 WeakPolarHBondContact CD-OD2 3.34Å; R170-D174 IonicContact NH1-OD1 2.76Å; R170-D174 PolarHBondContact O-N 3.48Å; D174-A176 VanDerWaalsContact C-N 3.26Å; D174-A176 PolarHBondContact O-N 3.23Å; D174-V177 WeakPolarHBondContact O-CB 3.48Å; D174-V177 PolarHBondContact O-N 2.95Å; D174-E178 PolarHBondContact O-N 3.45Å
175M98.9Very high98.4Very high23 Ų2354.1 Ų54.111%0.11329%0.288CS..Hα-helixtrans-59.3-38.2172.8-72.8-172.1-50.200111.8S129 I144 L171 V177 E178 L179S129-M175 WeakPolarHBondContact CB-SD 3.41Å; I144-M175 HydrophobicContact CG2-CE 4.17Å; L171-M175 HydrophobicContact CD1-CE 4.12Å; L171-M175 HydrophobicContact CD1-CG 4.08Å; L171-M175 HydrophobicContact CD1-SD 3.82Å; L171-M175 HydrophobicContact CG-CE 3.8Å; L171-M175 HydrophobicContact CG-SD 4.19Å; L171-M175 WeakPolarHBondContact O-CB 3.5Å; L171-M175 WeakPolarHBondContact O-CG 3.49Å; L171-M175 PolarHBondContact O-N 3.48Å; M175-V177 PolarHBondContact O-N 2.95Å; M175-E178 PolarHBondContact O-N 3.13Å; M175-L179 HydrophobicContact CB-CD1 4.09Å; M175-L179 WeakPolarHBondContact O-CB 3.46Å; M175-L179 WeakPolarHBondContact O-CG 3.48Å; M175-L179 PolarHBondContact O-N 3.16Å
176A98.9Very high98.5Very high3 Ų353.3 Ų53.33%0.02529%0.285CS..Hα-helixtrans-59.7-34.2176.400000112.7A172 A173 D174 K180 T246A172-A176 WeakPolarHBondContact O-CB 3.49Å; A172-A176 PolarHBondContact O-N 2.99Å; A173-A176 WeakPolarHBondContact O-CB 3.18Å; A173-A176 PolarHBondContact O-N 3.15Å; D174-A176 VanDerWaalsContact C-N 3.26Å; D174-A176 PolarHBondContact O-N 3.23Å; A176-K180 VanDerWaalsContact O-CB 3.25Å; A176-K180 WeakPolarHBondContact O-CB 3.16Å; A176-K180 PolarHBondContact O-N 3.2Å; A176-K180 VanDerWaalsContact O-N 3.1Å; A176-T246 HydrophobicContact CB-CG2 4.45Å; A176-T246 WeakPolarHBondContact CB-OG1 3.35Å
177V98.8Very high98.6Very high113 Ų11351.4 Ų51.469%0.68527%0.268SS*.Hα-helixtrans-63.5-50.8177.2176.60000110.5A173 D174 M175A173-V177 PolarHBondContact O-N 3.13Å; D174-V177 WeakPolarHBondContact O-CB 3.48Å; D174-V177 PolarHBondContact O-N 2.95Å; M175-V177 PolarHBondContact O-N 2.95Å
178E98.8Very high98.6Very high158 Ų15849.9 Ų49.974%0.73826%0.256SS*.Hα-helixtrans-70.3-33.5-177.4-63.1-172.6-174.400113D174 M175D174-E178 PolarHBondContact O-N 3.45Å; M175-E178 PolarHBondContact O-N 3.13Å
179L98.8Very high98.6Very high15 Ų1549.9 Ų49.98%0.07926%0.256CS..Hα-helixtrans-86.9-20.5-173.2-72.5175.7000114.1V137 I144 M175 S181 R182 G183 V184V137-L179 HydrophobicContact CG2-CD2 3.62Å; I144-L179 HydrophobicContact CD1-CD1 3.8Å; M175-L179 HydrophobicContact CB-CD1 4.09Å; M175-L179 WeakPolarHBondContact O-CB 3.46Å; M175-L179 WeakPolarHBondContact O-CG 3.48Å; M175-L179 PolarHBondContact O-N 3.16Å; L179-S181 PolarHBondContact O-N 3.16Å; L179-R182 CarbonylContact O-C 3.57Å; L179-R182 WeakPolarHBondContact O-CA 3.46Å; L179-R182 WeakPolarHBondContact O-CB 3.48Å; L179-R182 PolarHBondContact O-N 3.27Å; L179-G183 PolarHBondContact O-N 2.88Å; L179-V184 CarbonylContact C-O 3.47Å; L179-V184 HydrophobicContact CB-CB 3.96Å; L179-V184 HydrophobicContact CB-CG1 4.31Å; L179-V184 HydrophobicContact CD1-CB 4.43Å; L179-V184 HydrophobicContact CD1-CG1 3.91Å; L179-V184 HydrophobicContact CD2-CB 4.17Å; L179-V184 HydrophobicContact CD2-CG1 4.3Å; L179-V184 HydrophobicContact CG-CB 4.41Å; L179-V184 HydrophobicContact CG-CG1 4.41Å; L179-V184 PolarHBondContact O-N 3.09Å
180K98.2Very high98.5Very high127 Ų12750 Ų5055%0.55226%0.255SS*.G310 helixtrans-56.3-45.6-173.3-176.9174.8-175.6-178.40113.2A176 R182 G183 M243 T246A176-K180 VanDerWaalsContact O-CB 3.25Å; A176-K180 WeakPolarHBondContact O-CB 3.16Å; A176-K180 PolarHBondContact O-N 3.2Å; A176-K180 VanDerWaalsContact O-N 3.1Å; K180-R182 PolarHBondContact O-N 2.92Å; K180-G183 PolarHBondContact O-N 2.95Å; K180-M243 HydrophobicContact CG-SD 4.1Å; K180-T246 HydrophobicContact CD-CG2 4.27Å; K180-T246 HydrophobicContact CG-CG2 4.42Å
181S97.8Very high98.4Very high107 Ų10743.1 Ų43.175%0.74823%0.231SC*.G310 helixtrans-71.4-9.6-179.967.30000113.4L179L179-S181 PolarHBondContact O-N 3.16Å
182R98.4Very high97.9Very high152 Ų15243 Ų4357%0.57424%0.236SC*.G310 helixtrans-102.27.8177.7-56.3-59.8-172.5170.90.9113V137 G140 L179 K180 V184V137-R182 HydrophobicContact CB-CB 4.46Å; V137-R182 HydrophobicContact CG1-CB 4.12Å; V137-R182 HydrophobicContact CG1-CG 3.92Å; V137-R182 HydrophobicContact CG2-CB 3.97Å; V137-R182 HydrophobicContact CG2-CG 4.21Å; G140-R182 CarbonylContact C-O 3.57Å; G140-R182 VanDerWaalsContact C-O 3.3Å; L179-R182 CarbonylContact O-C 3.57Å; L179-R182 WeakPolarHBondContact O-CA 3.46Å; L179-R182 WeakPolarHBondContact O-CB 3.48Å; L179-R182 PolarHBondContact O-N 3.27Å; K180-R182 PolarHBondContact O-N 2.92Å; R182-V184 VanDerWaalsContact C-N 3.26Å; R182-V184 PolarHBondContact O-N 3.49Å
183G97.9Very high97.4Very high31 Ų3144.1 Ų44.132%0.3224%0.243SC..THydrogen-bonded Turntrans76.29.3178.300000114.6H141 L179 K180 M243H141-G183 WeakPolarHBondContact CA-O 3.38Å; L179-G183 PolarHBondContact O-N 2.88Å; K180-G183 PolarHBondContact O-N 2.95Å; G183-M243 VanDerWaalsContact C-CE 3.46Å
184V98.8Very high97Very high0 Ų043 Ų430%023%0.233CC..EExtended strand (participates in β ladder)trans-100.3126-178.1-178.50000109.9M136 V137 G142 I144 L179 R182M136-V184 HydrophobicContact CB-CG1 4.16Å; M136-V184 HydrophobicContact CB-CG2 3.65Å; M136-V184 HydrophobicContact SD-CG1 3.86Å; V137-V184 HydrophobicContact CG2-CG2 4.26Å; G142-V184 WeakPolarHBondContact O-CA 3.41Å; I144-V184 HydrophobicContact CD1-CG1 4.38Å; I144-V184 HydrophobicContact CG1-CG1 4.36Å; L179-V184 CarbonylContact C-O 3.47Å; L179-V184 HydrophobicContact CB-CB 3.96Å; L179-V184 HydrophobicContact CB-CG1 4.31Å; L179-V184 HydrophobicContact CD1-CB 4.43Å; L179-V184 HydrophobicContact CD1-CG1 3.91Å; L179-V184 HydrophobicContact CD2-CB 4.17Å; L179-V184 HydrophobicContact CD2-CG1 4.3Å; L179-V184 HydrophobicContact CG-CB 4.41Å; L179-V184 HydrophobicContact CG-CG1 4.41Å; L179-V184 PolarHBondContact O-N 3.09Å; R182-V184 VanDerWaalsContact C-N 3.26Å; R182-V184 PolarHBondContact O-N 3.49Å
185T98.9Very high96.4Very high5 Ų542.2 Ų42.23%0.03123%0.227CC..EExtended strand (participates in β ladder)trans-90.3138177.7-59.20000109.8G142 F143 I144 I187 L242G142-T185 PolarHBondContact O-N 3.19Å; F143-T185 WeakPolarHBondContact CA-O 3.3Å; F143-T185 HydrophobicContact CD2-CG2 4.04Å; F143-T185 HydrophobicContact CE2-CG2 4.2Å; I144-T185 PolarHBondContact N-O 3.24Å; T185-I187 HydrophobicContact CG2-CG2 3.96Å; T185-L242 HydrophobicContact CG2-CD1 4.11Å; T185-L242 HydrophobicContact CG2-CG 3.94Å
186S98.9Very high95.9Very high0 Ų042.1 Ų42.10%023%0.228CC..EExtended strand (participates in β ladder)trans-126.6130.7167.1-170.70000110.5I144 A172 T246 G247I144-S186 WeakPolarHBondContact O-CA 3.45Å; A172-S186 PolarHBondContact O-OG 2.87Å; S186-T246 PolarHBondContact N-OG1 3.3Å; S186-T246 VanDerWaalsContact N-OG1 3.15Å; S186-T246 CarbonylContact O-C 3.58Å; S186-T246 WeakPolarHBondContact O-CA 3.29Å; S186-G247 PolarHBondContact O-N 2.95Å
187I98.8Very high95.2Very high0 Ų045 Ų450%024%0.241CC..EExtended strand (participates in β ladder)trans-133.8156.3176.866.589.7000111.2F143 I144 V145 T146 T185 L189 L245 L250F143-I187 HydrophobicContact CE2-CG1 3.57Å; F143-I187 HydrophobicContact CE2-CG2 4.38Å; F143-I187 HydrophobicContact CZ-CG1 3.95Å; I144-I187 PolarHBondContact O-N 3.38Å; V145-I187 HydrophobicContact CB-CD1 4.37Å; V145-I187 HydrophobicContact CG1-CD1 3.86Å; V145-I187 HydrophobicContact CG2-CD1 4.15Å; V145-I187 HydrophobicContact CG2-CG1 4.22Å; T146-I187 PolarHBondContact N-O 3.48Å; T185-I187 HydrophobicContact CG2-CG2 3.96Å; I187-L189 HydrophobicContact CD1-CB 3.83Å; I187-L245 WeakPolarHBondContact CG2-O 3.5Å; I187-L250 HydrophobicContact CB-CD1 4.2Å; I187-L250 HydrophobicContact CD1-CD1 4.24Å; I187-L250 HydrophobicContact CG1-CD1 4.26Å; I187-L250 HydrophobicContact CG2-CD1 4.16Å
188S98.7Very high94.4Very high1 Ų141.4 Ų41.41%0.00722%0.217CC..EExtended strand (participates in β ladder)trans-98.6125.1164.5177.40000109.3T146 S148 D169 K248 V249 L250T146-S188 CarbonylContact O-C 3.6Å; T146-S188 WeakPolarHBondContact O-CA 3.02Å; S148-S188 WeakPolarHBondContact CB-OG 3.4Å; D169-S188 WeakPolarHBondContact OD1-CB 3.42Å; D169-S188 PolarHBondContact OD1-OG 3.3Å; S188-K248 PolarHBondContact N-O 2.85Å; S188-V249 CarbonylContact O-C 3.5Å; S188-V249 WeakPolarHBondContact O-CA 3.34Å; S188-L250 PolarHBondContact O-N 2.94Å
189L98.6Very high93.7Very high0 Ų034.5 Ų34.50%019%0.185CC..EExtended strand (participates in β ladder)trans-101.8129.7176.8-175.271.4000109V145 T146 S148 I187 P191 I233 L250 T252 L255V145-L189 HydrophobicContact CG1-CB 3.72Å; V145-L189 HydrophobicContact CG1-CD2 4.2Å; T146-L189 PolarHBondContact O-N 2.76Å; S148-L189 PolarHBondContact N-O 3.09Å; I187-L189 HydrophobicContact CD1-CB 3.83Å; L189-P191 WeakPolarHBondContact O-CD 3.24Å; L189-I233 HydrophobicContact CD2-CD1 4.02Å; L189-I233 HydrophobicContact CD2-CG1 3.99Å; L189-L250 CarbonylContact C-O 3.56Å; L189-L250 WeakPolarHBondContact CA-O 3.29Å; L189-T252 HydrophobicContact CD1-CG2 4.25Å; L189-T252 HydrophobicContact CG-CG2 4.45Å; L189-L255 HydrophobicContact CD1-CD1 3.54Å
190W96.5Very high92.7Very high22 Ų2235 Ų358%0.08319%0.19CC..EExtended strand (participates in β ladder)trans-110.998.9174.8-73.415000109.7S149 M150 L153 D169 V249 L250 M251 T252S149-W190 VanDerWaalsContact O-CE2 3.24Å; S149-W190 WeakPolarHBondContact O-CZ2 2.87Å; M150-W190 HydrophobicContact CB-CE3 4.35Å; M150-W190 HydrophobicContact CB-CZ3 4.27Å; M150-W190 HydrophobicContact CG-CZ3 4.28Å; L153-W190 HydrophobicContact CB-CH2 3.92Å; L153-W190 HydrophobicContact CD2-CH2 4.44Å; D169-W190 PolarHBondContact OD1-NE1 2.89Å; D169-W190 VanDerWaalsContact OD2-CZ2 3.3Å; D169-W190 WeakPolarHBondContact OD2-CZ2 3.3Å; D169-W190 PolarHBondContact OD2-NE1 3.31Å; W190-V249 HydrophobicContact CD2-CG1 3.45Å; W190-V249 VanDerWaalsContact CD2-CG1 3.45Å; W190-V249 HydrophobicContact CE3-CG1 3.99Å; W190-V249 HydrophobicContact CG-CG1 3.76Å; W190-V249 HydrophobicContact CH2-CG1 4.15Å; W190-V249 HydrophobicContact CZ2-CG1 3.68Å; W190-V249 HydrophobicContact CZ2-CG2 4.24Å; W190-V249 HydrophobicContact CZ3-CG1 4.3Å; W190-L250 PolarHBondContact N-O 3.44Å; W190-M251 HydrophobicContact CB-CG 3.98Å; W190-M251 HydrophobicContact CE3-CG 4.05Å; W190-M251 HydrophobicContact CE3-SD 4.4Å; W190-M251 WeakPolarHBondContact O-CA 3.34Å; W190-T252 PolarHBondContact O-N 3.14Å; W190-T252 PolarHBondContact O-OG1 3.42Å
191P95.1Very high91.8Very high17 Ų1733.8 Ų33.811%0.1119%0.186CC..  trans-63152.9162.9-18.532.9000110.9I17 V147 L189 V194 S229 T252I17-P191 HydrophobicContact CD1-CB 4.4Å; I17-P191 HydrophobicContact CD1-CG 4.26Å; V147-P191 HydrophobicContact CG1-CG 3.88Å; L189-P191 WeakPolarHBondContact O-CD 3.24Å; P191-V194 HydrophobicContact CB-CG2 3.71Å; P191-S229 WeakPolarHBondContact CG-OG 3.44Å; P191-T252 HydrophobicContact CB-CG2 4.35Å
192G89.2Confident90.6Very high21 Ų2130 Ų3022%0.21616%0.157CC..  trans-71.2-163.2166.800000112.1V194 E224 T252G192-V194 WeakPolarHBondContact O-CG2 3.4Å; G192-V194 PolarHBondContact O-N 3.34Å; G192-V194 VanDerWaalsContact O-N 3.14Å; G192-E224 PolarHBondContact N-OE1 2.89Å; G192-E224 PolarHBondContact N-OE2 3.42Å; G192-T252 PolarHBondContact N-OG1 3.04Å
193P88Confident89.4Confident23 Ų2322.7 Ų22.715%0.14913%0.13CC..SBendtrans-61.7114.6166.6-13.127.4000108.8V219 F220 G223 E224 F272P193-V219 HydrophobicContact CB-CG1 3.82Å; P193-V219 HydrophobicContact CG-CG1 3.33Å; P193-F220 HydrophobicContact CB-CD1 3.54Å; P193-F220 HydrophobicContact CB-CE1 3.72Å; P193-F220 HydrophobicContact CB-CG 4.17Å; P193-F220 HydrophobicContact CB-CZ 4.45Å; P193-G223 CarbonylContact O-C 3.53Å; P193-G223 WeakPolarHBondContact O-CA 3.27Å; P193-E224 PolarHBondContact O-N 3.32Å; P193-F272 HydrophobicContact CG-CE1 4.28Å; P193-F272 HydrophobicContact CG-CZ 3.99Å
194V89.3Confident87.9Confident8 Ų823.3 Ų23.35%0.04813%0.125CC..BIsolated β-bridgetrans-102.8133.8-177.2-174.10000111.3I17 P191 G192 T196 E224 T226I17-V194 HydrophobicContact CD1-CB 4.08Å; I17-V194 HydrophobicContact CD1-CG1 4.37Å; I17-V194 HydrophobicContact CD1-CG2 3.72Å; I17-V194 HydrophobicContact CG1-CB 4.04Å; I17-V194 HydrophobicContact CG1-CG1 3.77Å; I17-V194 HydrophobicContact CG1-CG2 3.93Å; P191-V194 HydrophobicContact CB-CG2 3.71Å; G192-V194 WeakPolarHBondContact O-CG2 3.4Å; G192-V194 PolarHBondContact O-N 3.34Å; G192-V194 VanDerWaalsContact O-N 3.14Å; V194-T196 HydrophobicContact CB-CG2 4.16Å; V194-T196 HydrophobicContact CG1-CG2 3.86Å; V194-T196 PolarHBondContact O-N 3.23Å; V194-E224 WeakPolarHBondContact CA-O 3.46Å; V194-E224 HydrophobicContact CG2-CB 4.48Å; V194-T226 HydrophobicContact CG1-CG2 3.82Å
195Q87.8Confident86.3Confident60 Ų6030.4 Ų30.428%0.2816%0.158SC..  trans-75.260.7174.1-64.6-179.362.900111.9I204 F220 A221 G223 E224 R267Q195-I204 HydrophobicContact CG-CD1 4.48Å; Q195-F220 WeakPolarHBondContact CG-O 3.42Å; Q195-A221 PolarHBondContact NE2-O 2.93Å; Q195-G223 PolarHBondContact NE2-O 3.36Å; Q195-E224 PolarHBondContact N-O 3.47Å; Q195-R267 VanDerWaalsContact NE2-NH2 3.2Å
196T87.3Confident84.5Confident22 Ų2236.7 Ų36.714%0.13519%0.185CC..  trans-71.2157173.167.60000110.7I17 V194 L198 I199 S200 T226I17-T196 HydrophobicContact CG1-CG2 4.14Å; V194-T196 HydrophobicContact CB-CG2 4.16Å; V194-T196 HydrophobicContact CG1-CG2 3.86Å; V194-T196 PolarHBondContact O-N 3.23Å; T196-L198 PolarHBondContact O-N 3.13Å; T196-I199 PolarHBondContact O-N 3.12Å; T196-I199 VanDerWaalsContact OG1-CG1 3.22Å; T196-I199 WeakPolarHBondContact OG1-CG1 3.31Å; T196-I199 PolarHBondContact OG1-N 3.02Å; T196-S200 PolarHBondContact O-N 3.01Å; T196-S200 PolarHBondContact O-OG 2.8Å; T196-T226 HydrophobicContact CG2-CG2 4.17Å
197E85.6Confident82.8Confident64 Ų6444 Ų4430%0.29923%0.225SC..Hα-helixtrans-56.2-39.7-179.1-55.887.415900111.6G16 S200 Q201G16-E197 WeakPolarHBondContact CA-OE2 3.25Å; G16-E197 PolarHBondContact N-OE1 2.8Å; G16-E197 PolarHBondContact N-OE2 3.46Å; E197-S200 PolarHBondContact O-N 3.18Å; E197-Q201 WeakPolarHBondContact O-CB 3.38Å; E197-Q201 WeakPolarHBondContact O-CG 3.35Å; E197-Q201 PolarHBondContact O-N 3.26Å
198L81.8Confident80.9Confident37 Ų3745.8 Ų45.819%0.19424%0.239CC..Hα-helixtrans-67.4-42.8176.7-73.6173.8000112.2V95 T196 S200 Q201 L202V95-L198 HydrophobicContact CB-CD1 4.17Å; V95-L198 HydrophobicContact CG1-CB 4.31Å; V95-L198 HydrophobicContact CG1-CD1 4.34Å; T196-L198 PolarHBondContact O-N 3.13Å; L198-S200 VanDerWaalsContact C-N 3.33Å; L198-Q201 PolarHBondContact O-N 3.17Å; L198-L202 VanDerWaalsContact O-CB 3.28Å; L198-L202 WeakPolarHBondContact O-CB 3.24Å; L198-L202 VanDerWaalsContact O-CG 3.23Å; L198-L202 WeakPolarHBondContact O-CG 3.45Å; L198-L202 PolarHBondContact O-N 3.43Å
199I82.6Confident79.2Confident13 Ų1347.3 Ų47.37%0.06725%0.249CC..Hα-helixtrans-64-42.1176-68.8-67.4000110.6F99 T196 Q201 L202 I203 I204 F220F99-I199 HydrophobicContact CE2-CD1 3.66Å; F99-I199 HydrophobicContact CZ-CD1 3.6Å; T196-I199 PolarHBondContact O-N 3.12Å; T196-I199 VanDerWaalsContact OG1-CG1 3.22Å; T196-I199 WeakPolarHBondContact OG1-CG1 3.31Å; T196-I199 PolarHBondContact OG1-N 3.02Å; I199-Q201 VanDerWaalsContact C-N 3.31Å; I199-Q201 PolarHBondContact O-N 3.32Å; I199-L202 PolarHBondContact O-N 3.01Å; I199-I203 HydrophobicContact CD1-CD1 3.77Å; I199-I203 HydrophobicContact CG2-CD1 4.13Å; I199-I203 WeakPolarHBondContact O-CB 3.19Å; I199-I203 PolarHBondContact O-N 2.97Å; I199-I204 PolarHBondContact O-N 2.94Å; I199-F220 HydrophobicContact CD1-CE1 4.16Å; I199-F220 HydrophobicContact CD1-CZ 4.11Å; I199-F220 HydrophobicContact CG1-CE1 4.33Å; I199-F220 HydrophobicContact CG2-CB 3.85Å; I199-F220 HydrophobicContact CG2-CD1 3.56Å; I199-F220 HydrophobicContact CG2-CD2 4.22Å; I199-F220 HydrophobicContact CG2-CE1 4.1Å; I199-F220 HydrophobicContact CG2-CG 3.62Å
200S79.5Confident77.4Confident25 Ų2556.2 Ų56.218%0.17529%0.291CS..Iπ-helixtrans-59.8-43.4176.2-63.60000111.6T196 E197 L198 I204 Q205T196-S200 PolarHBondContact O-N 3.01Å; T196-S200 PolarHBondContact O-OG 2.8Å; E197-S200 PolarHBondContact O-N 3.18Å; L198-S200 VanDerWaalsContact C-N 3.33Å; S200-I204 PolarHBondContact O-N 3.37Å; S200-Q205 WeakPolarHBondContact O-CB 3.42Å; S200-Q205 VanDerWaalsContact O-CG 3.32Å; S200-Q205 WeakPolarHBondContact O-CG 3.36Å; S200-Q205 PolarHBondContact O-N 2.92Å
201Q77.9Confident75.8Confident101 Ų10158.3 Ų58.347%0.47232%0.319SS..Iπ-helixtrans-70.7-39.3178.4-73.3171.1-0.900113.7E197 L198 I199 K206E197-Q201 WeakPolarHBondContact O-CB 3.38Å; E197-Q201 WeakPolarHBondContact O-CG 3.35Å; E197-Q201 PolarHBondContact O-N 3.26Å; L198-Q201 PolarHBondContact O-N 3.17Å; I199-Q201 VanDerWaalsContact C-N 3.31Å; I199-Q201 PolarHBondContact O-N 3.32Å; Q201-K206 WeakPolarHBondContact O-CG 3.47Å
202L73.5Confident74.5Confident27 Ų2758.1 Ų58.114%0.14132%0.317CS..Iπ-helixtrans-89.8-26.7-172.1-65.8173.8000113.7F99 L198 I199F99-L202 HydrophobicContact CB-CD1 4.22Å; F99-L202 HydrophobicContact CD2-CD1 3.5Å; F99-L202 HydrophobicContact CE2-CD1 4.22Å; F99-L202 HydrophobicContact CG-CD1 4.06Å; L198-L202 VanDerWaalsContact O-CB 3.28Å; L198-L202 WeakPolarHBondContact O-CB 3.24Å; L198-L202 VanDerWaalsContact O-CG 3.23Å; L198-L202 WeakPolarHBondContact O-CG 3.45Å; L198-L202 PolarHBondContact O-N 3.43Å; I199-L202 PolarHBondContact O-N 3.01Å
203I73.2Confident73.5Confident0 Ų061 Ų610%033%0.328CS..Iπ-helixtrans-122.7-44-172.1-53.8178.4000112.3F99 I199 L212 K217 F220F99-I203 HydrophobicContact CE1-CD1 3.54Å; F99-I203 HydrophobicContact CE1-CG1 3.98Å; F99-I203 HydrophobicContact CE2-CD1 4.45Å; F99-I203 HydrophobicContact CZ-CD1 3.47Å; F99-I203 VanDerWaalsContact CZ-CD1 3.47Å; F99-I203 HydrophobicContact CZ-CG1 4.14Å; I199-I203 HydrophobicContact CD1-CD1 3.77Å; I199-I203 HydrophobicContact CG2-CD1 4.13Å; I199-I203 WeakPolarHBondContact O-CB 3.19Å; I199-I203 PolarHBondContact O-N 2.97Å; I203-L212 HydrophobicContact CD1-CD2 4.09Å; I203-L212 HydrophobicContact CG1-CD2 4.07Å; I203-L212 HydrophobicContact CG2-CD2 3.94Å; I203-K217 HydrophobicContact CG2-CB 4.27Å; I203-F220 HydrophobicContact CD1-CD2 3.8Å; I203-F220 HydrophobicContact CD1-CE2 3.83Å
204I65.4Low72.7Confident43 Ų4364.9 Ų64.922%0.22135%0.353CS..Iπ-helixtrans-81.2-45.1-171.4-60.3174.7000110.7Q195 I199 S200 K217 F220Q195-I204 HydrophobicContact CG-CD1 4.48Å; I199-I204 PolarHBondContact O-N 2.94Å; S200-I204 PolarHBondContact O-N 3.37Å; I204-K217 WeakPolarHBondContact O-CE 3.4Å; I204-K217 PolarHBondContact O-NZ 3.17Å; I204-F220 HydrophobicContact CD1-CB 4.44Å
205Q65.9Low71.9Confident149 Ų14969 Ų6970%0.69637%0.37SS*.SBendtrans-90.6-23.3-173-68176-3.600114.6S200S200-Q205 WeakPolarHBondContact O-CB 3.42Å; S200-Q205 VanDerWaalsContact O-CG 3.32Å; S200-Q205 WeakPolarHBondContact O-CG 3.36Å; S200-Q205 PolarHBondContact O-N 2.92Å
206K61.9Low71.2Confident137 Ų13769.4 Ų69.460%0.59637%0.369SS*.SBendtrans-105.4167.2176.3-72.3-174.6176.5-176.60111Q201 A208Q201-K206 WeakPolarHBondContact O-CG 3.47Å; K206-A208 PolarHBondContact O-N 3.4Å
207D61.8Low70.7Confident155 Ų15572.1 Ų72.183%0.82938%0.379SS*.PPolyproline II helixtrans-58.9131.1161.1-71.6-37.4000108.3
208A59.7Low70.3Confident37 Ų3774.1 Ų74.131%0.30639%0.392SS..PPolyproline II helixtrans-52.2139-178.900000110K206 Q210 L212K206-A208 PolarHBondContact O-N 3.4Å; A208-Q210 PolarHBondContact O-N 3.05Å; A208-L212 HydrophobicContact CB-CB 4.29Å; A208-L212 HydrophobicContact CB-CD2 4.03Å
209P62.1Low70.3Confident32 Ų3274.5 Ų74.521%0.20840%0.396CS..PPolyproline II helixtrans-49.1141.3178-27.334.1000111.3F99 G211 L212F99-P209 HydrophobicContact CD1-CG 4.09Å; P209-G211 PolarHBondContact O-N 3.22Å; P209-L212 VanDerWaalsContact O-CB 3.28Å; P209-L212 WeakPolarHBondContact O-CB 3.39Å; P209-L212 PolarHBondContact O-N 3.19Å
210Q61.6Low70.4Confident188 Ų18874.8 Ų74.888%0.87940%0.397SS*.THydrogen-bonded Turntrans-52.7128.1175.8-79.3-176.5-6.400109.8A208A208-Q210 PolarHBondContact O-N 3.05Å
211G61.9Low70.5Confident66 Ų6675.4 Ų75.468%0.6840%0.403SS*.THydrogen-bonded Turntrans90.8-6.8-176.200000115.6P209P209-G211 PolarHBondContact O-N 3.22Å
212L68.1Low70.7Confident13 Ų1375.6 Ų75.67%0.06841%0.407CS..  trans-77.1130.6169.7-167.870000110M102 I203 A208 P209 Y216M102-L212 HydrophobicContact CE-CD1 4.07Å; M102-L212 HydrophobicContact CG-CB 4.41Å; M102-L212 HydrophobicContact CG-CD1 4.4Å; M102-L212 HydrophobicContact SD-CD1 4.1Å; I203-L212 HydrophobicContact CD1-CD2 4.09Å; I203-L212 HydrophobicContact CG1-CD2 4.07Å; I203-L212 HydrophobicContact CG2-CD2 3.94Å; A208-L212 HydrophobicContact CB-CB 4.29Å; A208-L212 HydrophobicContact CB-CD2 4.03Å; P209-L212 VanDerWaalsContact O-CB 3.28Å; P209-L212 WeakPolarHBondContact O-CB 3.39Å; P209-L212 PolarHBondContact O-N 3.19Å; L212-Y216 HydrophobicContact CD1-CD2 3.53Å; L212-Y216 HydrophobicContact CD1-CE2 4.07Å; L212-Y216 HydrophobicContact CD1-CG 3.86Å; L212-Y216 HydrophobicContact CG-CD2 3.85Å; L212-Y216 HydrophobicContact CG-CG 4.16Å
213N69.6Low71.4Confident82 Ų8274.4 Ų74.444%0.43940%0.402SS..  trans-61.1127.5175-176.5-30.8000109.5K215 Y216N213-K215 PolarHBondContact O-N 2.95Å; N213-K215 WeakPolarHBondContact OD1-CB 3.46Å; N213-K215 WeakPolarHBondContact OD1-CG 3.34Å; N213-K215 PolarHBondContact OD1-N 2.92Å; N213-Y216 HydrophobicContact CB-CD2 3.65Å; N213-Y216 HydrophobicContact CB-CE2 3.78Å; N213-Y216 WeakPolarHBondContact O-CB 3.26Å; N213-Y216 WeakPolarHBondContact O-CD2 3.45Å; N213-Y216 PolarHBondContact O-N 2.9Å
214P69.4Low72.4Confident104 Ų10474.7 Ų74.768%0.67540%0.403SS*.THydrogen-bonded Turntrans-51.2-30.3-179.5-29.535.1000114.2Y216 K217P214-Y216 PolarHBondContact O-N 3.29Å; P214-K217 PolarHBondContact O-N 3.3Å
215K72.6Confident73.8Confident94 Ų9473.6 Ų73.641%0.40940%0.399SS..Hα-helixtrans-59.8-25.4176.7-66-172.8177.2-170.50113.9N213 K217 D218 V219N213-K215 PolarHBondContact O-N 2.95Å; N213-K215 WeakPolarHBondContact OD1-CB 3.46Å; N213-K215 WeakPolarHBondContact OD1-CG 3.34Å; N213-K215 PolarHBondContact OD1-N 2.92Å; K215-K217 VanDerWaalsContact C-N 3.25Å; K215-K217 PolarHBondContact O-N 3.04Å; K215-D218 PolarHBondContact O-N 2.86Å; K215-V219 WeakPolarHBondContact O-CB 3.43Å; K215-V219 VanDerWaalsContact O-CG2 3.23Å; K215-V219 WeakPolarHBondContact O-CG2 3.49Å; K215-V219 PolarHBondContact O-N 3.47Å; K215-V219 VanDerWaalsContact O-N 3.07Å
216Y73.8Confident75.2Confident69 Ų6967.4 Ų67.427%0.27137%0.371SS..Hα-helixtrans-62.5-33.5178.7-80.4-77.5000112.2L156 F157 L212 N213 P214 V219 F220L156-Y216 WeakPolarHBondContact CD1-OH 3.09Å; F157-Y216 HydrophobicContact CE1-CD1 4.49Å; F157-Y216 AromaticContact CE1-CE1 3.89Å; F157-Y216 HydrophobicContact CE1-CE1 3.89Å; F157-Y216 HydrophobicContact CZ-CE1 4.43Å; L212-Y216 HydrophobicContact CD1-CD2 3.53Å; L212-Y216 HydrophobicContact CD1-CE2 4.07Å; L212-Y216 HydrophobicContact CD1-CG 3.86Å; L212-Y216 HydrophobicContact CG-CD2 3.85Å; L212-Y216 HydrophobicContact CG-CG 4.16Å; N213-Y216 HydrophobicContact CB-CD2 3.65Å; N213-Y216 HydrophobicContact CB-CE2 3.78Å; N213-Y216 WeakPolarHBondContact O-CB 3.26Å; N213-Y216 WeakPolarHBondContact O-CD2 3.45Å; N213-Y216 PolarHBondContact O-N 2.9Å; P214-Y216 PolarHBondContact O-N 3.29Å; Y216-V219 PolarHBondContact O-N 2.75Å; Y216-F220 HydrophobicContact CD1-CD2 4.45Å; Y216-F220 AromaticContact CD1-CE2 3.9Å; Y216-F220 HydrophobicContact CD1-CE2 3.9Å; Y216-F220 VanDerWaalsContact O-CD2 3.22Å; Y216-F220 WeakPolarHBondContact O-CD2 3.44Å; Y216-F220 PolarHBondContact O-N 3.1Å
217K77Confident76.9Confident79 Ų7962 Ų6234%0.34335%0.348SS..Hα-helixtrans-60.7-49.6178.7-174.3171.4-178.5166.50111.1I203 I204 P214 K215 V219 F220 A221I203-K217 HydrophobicContact CG2-CB 4.27Å; I204-K217 WeakPolarHBondContact O-CE 3.4Å; I204-K217 PolarHBondContact O-NZ 3.17Å; P214-K217 PolarHBondContact O-N 3.3Å; K215-K217 VanDerWaalsContact C-N 3.25Å; K215-K217 PolarHBondContact O-N 3.04Å; K217-V219 PolarHBondContact O-N 3.34Å; K217-F220 PolarHBondContact O-N 3.43Å; K217-A221 VanDerWaalsContact O-CB 3.27Å; K217-A221 WeakPolarHBondContact O-CB 3.45Å; K217-A221 PolarHBondContact O-N 3.03Å
218D77.8Confident78.6Confident106 Ų10654.6 Ų54.657%0.56731%0.308SS*.Hα-helixtrans-66.9-37.7179.1-62.6-26.9000112K215 N222K215-D218 PolarHBondContact O-N 2.86Å; D218-N222 WeakPolarHBondContact O-CB 3.45Å; D218-N222 PolarHBondContact O-N 3.37Å; D218-N222 PolarHBondContact O-ND2 2.65Å
219V81.4Confident80.4Confident45 Ų4552.9 Ų52.927%0.27329%0.294SS..Hα-helixtrans-64.4-43.1178.51690000111.5P193 K215 Y216 K217 G223P193-V219 HydrophobicContact CB-CG1 3.82Å; P193-V219 HydrophobicContact CG-CG1 3.33Å; K215-V219 WeakPolarHBondContact O-CB 3.43Å; K215-V219 VanDerWaalsContact O-CG2 3.23Å; K215-V219 WeakPolarHBondContact O-CG2 3.49Å; K215-V219 PolarHBondContact O-N 3.47Å; K215-V219 VanDerWaalsContact O-N 3.07Å; Y216-V219 PolarHBondContact O-N 2.75Å; K217-V219 PolarHBondContact O-N 3.34Å; V219-G223 PolarHBondContact O-N 3.37Å
220F83.8Confident82.2Confident19 Ų1951.3 Ų51.38%0.08328%0.284CS..Hα-helixtrans-75.8-36.9176.8-79.1-70.9000112.7P193 Q195 I199 I203 I204 Y216 K217 N222 G223P193-F220 HydrophobicContact CB-CD1 3.54Å; P193-F220 HydrophobicContact CB-CE1 3.72Å; P193-F220 HydrophobicContact CB-CG 4.17Å; P193-F220 HydrophobicContact CB-CZ 4.45Å; Q195-F220 WeakPolarHBondContact CG-O 3.42Å; I199-F220 HydrophobicContact CD1-CE1 4.16Å; I199-F220 HydrophobicContact CD1-CZ 4.11Å; I199-F220 HydrophobicContact CG1-CE1 4.33Å; I199-F220 HydrophobicContact CG2-CB 3.85Å; I199-F220 HydrophobicContact CG2-CD1 3.56Å; I199-F220 HydrophobicContact CG2-CD2 4.22Å; I199-F220 HydrophobicContact CG2-CE1 4.1Å; I199-F220 HydrophobicContact CG2-CG 3.62Å; I203-F220 HydrophobicContact CD1-CD2 3.8Å; I203-F220 HydrophobicContact CD1-CE2 3.83Å; I204-F220 HydrophobicContact CD1-CB 4.44Å; Y216-F220 HydrophobicContact CD1-CD2 4.45Å; Y216-F220 AromaticContact CD1-CE2 3.9Å; Y216-F220 HydrophobicContact CD1-CE2 3.9Å; Y216-F220 VanDerWaalsContact O-CD2 3.22Å; Y216-F220 WeakPolarHBondContact O-CD2 3.44Å; Y216-F220 PolarHBondContact O-N 3.1Å; K217-F220 PolarHBondContact O-N 3.43Å; F220-N222 VanDerWaalsContact C-N 3.25Å; F220-N222 PolarHBondContact O-N 3.18Å; F220-G223 WeakPolarHBondContact O-CA 3.5Å; F220-G223 PolarHBondContact O-N 2.93Å
221A82.3Confident83.9Confident38 Ų3844.8 Ų44.831%0.31425%0.253SS..Hα-helixtrans-61.9-34.9176.400000112.3Q195 K217 G223Q195-A221 PolarHBondContact NE2-O 2.93Å; K217-A221 VanDerWaalsContact O-CB 3.27Å; K217-A221 WeakPolarHBondContact O-CB 3.45Å; K217-A221 PolarHBondContact O-N 3.03Å; A221-G223 VanDerWaalsContact C-N 3.29Å
222N82.8Confident85.6Confident104 Ų10441.7 Ų41.756%0.55622%0.22SC*.THydrogen-bonded Turntrans-92.810.9173.6-63.2-63.5000113D218 F220D218-N222 WeakPolarHBondContact O-CB 3.45Å; D218-N222 PolarHBondContact O-N 3.37Å; D218-N222 PolarHBondContact O-ND2 2.65Å; F220-N222 VanDerWaalsContact C-N 3.25Å; F220-N222 PolarHBondContact O-N 3.18Å
223G87.5Confident87.1Confident3 Ų341 Ų413%0.03122%0.217CC..SBendtrans-72.9176.9-177.300000113.9P193 Q195 V219 F220 A221 R267P193-G223 CarbonylContact O-C 3.53Å; P193-G223 WeakPolarHBondContact O-CA 3.27Å; Q195-G223 PolarHBondContact NE2-O 3.36Å; V219-G223 PolarHBondContact O-N 3.37Å; F220-G223 WeakPolarHBondContact O-CA 3.5Å; F220-G223 PolarHBondContact O-N 2.93Å; A221-G223 VanDerWaalsContact C-N 3.29Å; G223-R267 PolarHBondContact O-NH2 2.98Å
224E94.1Very high88.5Confident5 Ų538 Ų382%0.02320%0.202CC..BIsolated β-bridgetrans-68.3147175.3-56.3179167.700110.4G192 P193 V194 Q195 L228 T252 D263G192-E224 PolarHBondContact N-OE1 2.89Å; G192-E224 PolarHBondContact N-OE2 3.42Å; P193-E224 PolarHBondContact O-N 3.32Å; V194-E224 WeakPolarHBondContact CA-O 3.46Å; V194-E224 HydrophobicContact CG2-CB 4.48Å; Q195-E224 PolarHBondContact N-O 3.47Å; E224-L228 HydrophobicContact CB-CB 4.5Å; E224-L228 HydrophobicContact CB-CD2 3.91Å; E224-L228 VanDerWaalsContact CD-CD2 3.42Å; E224-L228 HydrophobicContact CG-CD2 3.61Å; E224-T252 VanDerWaalsContact CD-OG1 3.25Å; E224-T252 PolarHBondContact OE1-OG1 3.43Å; E224-T252 PolarHBondContact OE2-OG1 3.24Å; E224-T252 VanDerWaalsContact OE2-OG1 3.08Å; E224-D263 WeakPolarHBondContact CA-OD2 3.45Å
225T95Very high89.9Confident21 Ų2134.1 Ų34.113%0.12918%0.177CC..  trans-70.8166.6164.979.70000110.3E227 D263 V264 D265T225-E227 PolarHBondContact O-N 3.42Å; T225-E227 PolarHBondContact OG1-N 3.39Å; T225-D263 WeakPolarHBondContact CB-OD1 3.36Å; T225-D263 WeakPolarHBondContact CG2-OD1 3.43Å; T225-D263 PolarHBondContact N-OD2 2.97Å; T225-D263 PolarHBondContact OG1-OD1 3.02Å; T225-V264 HydrophobicContact CG2-CG2 3.88Å; T225-V264 VanDerWaalsContact OG1-CG2 3.3Å; T225-V264 WeakPolarHBondContact OG1-CG2 3.04Å; T225-D265 HydrophobicContact CG2-CB 4.45Å; T225-D265 WeakPolarHBondContact CG2-OD2 3.46Å
226T94.9Very high91.1Very high18 Ų1829.7 Ų29.711%0.1116%0.157CC..THydrogen-bonded Turntrans-66.1-21.5177.753.20000113.7G16 G20 V194 T196G16-T226 WeakPolarHBondContact O-CB 3.43Å; G20-T226 WeakPolarHBondContact CA-O 3.47Å; V194-T226 HydrophobicContact CG1-CG2 3.82Å; T196-T226 HydrophobicContact CG2-CG2 4.17Å
227E97.5Very high92.2Very high24 Ų2427 Ų2711%0.11215%0.149CC..THydrogen-bonded Turntrans-87.8-19.8-173.4-63.8-159.9-131.900113.5Q24 R52 T225 S229 G230 K231 V264Q24-E227 HydrophobicContact CG-CB 4.06Å; Q24-E227 WeakPolarHBondContact CG-O 3.46Å; Q24-E227 PolarHBondContact NE2-OE2 2.97Å; R52-E227 IonicContact CZ-OE2 3.91Å; R52-E227 VanDerWaalsContact NH2-CD 3.34Å; R52-E227 IonicContact NH2-OE1 2.75Å; R52-E227 PolarHBondContact NH2-OE1 3.08Å; R52-E227 VanDerWaalsContact NH2-OE1 3.11Å; R52-E227 IonicContact NH2-OE2 2.65Å; R52-E227 PolarHBondContact NH2-OE2 2.95Å; T225-E227 PolarHBondContact O-N 3.42Å; T225-E227 PolarHBondContact OG1-N 3.39Å; E227-S229 VanDerWaalsContact C-N 3.27Å; E227-S229 PolarHBondContact O-N 3.38Å; E227-G230 WeakPolarHBondContact O-CA 3.37Å; E227-G230 PolarHBondContact O-N 3.16Å; E227-K231 PolarHBondContact O-N 3.14Å; E227-K231 VanDerWaalsContact O-N 3.11Å; E227-V264 HydrophobicContact CB-CB 4.39Å; E227-V264 HydrophobicContact CB-CG1 3.48Å; E227-V264 VanDerWaalsContact CB-CG1 3.48Å; E227-V264 HydrophobicContact CB-CG2 4.02Å; E227-V264 HydrophobicContact CG-CG1 4.23Å; E227-V264 HydrophobicContact CG-CG2 4.36Å
228L97.8Very high93.2Very high0 Ų025.5 Ų25.50%015%0.145CC..Hα-helixtrans-57.7-40-178.2177.563.3000112.7E224 G230 K231 C232 I261 V269E224-L228 HydrophobicContact CB-CB 4.5Å; E224-L228 HydrophobicContact CB-CD2 3.91Å; E224-L228 VanDerWaalsContact CD-CD2 3.42Å; E224-L228 HydrophobicContact CG-CD2 3.61Å; L228-G230 PolarHBondContact O-N 3.15Å; L228-K231 PolarHBondContact O-N 3.42Å; L228-C232 PolarHBondContact O-N 3.2Å; L228-C232 PolarHBondContact O-SG 3.11Å; L228-I261 HydrophobicContact CD1-CG2 3.77Å; L228-V269 HydrophobicContact CD1-CG2 3.72Å; L228-V269 HydrophobicContact CD2-CB 4.24Å; L228-V269 HydrophobicContact CD2-CG1 3.63Å; L228-V269 HydrophobicContact CD2-CG2 3.53Å; L228-V269 HydrophobicContact CG-CG2 4.29Å
229S98.2Very high94.1Very high0 Ų021.8 Ų21.80%013%0.125CC..Hα-helixtrans-58.9-38.4175.5-69.70000111.5P191 E227 C232 I233P191-S229 WeakPolarHBondContact CG-OG 3.44Å; E227-S229 VanDerWaalsContact C-N 3.27Å; E227-S229 PolarHBondContact O-N 3.38Å; S229-C232 WeakPolarHBondContact O-CB 3.3Å; S229-C232 PolarHBondContact O-N 2.9Å; S229-I233 WeakPolarHBondContact O-CG1 3.48Å; S229-I233 PolarHBondContact O-N 3.34Å
230G98.3Very high94.8Very high0 Ų029.5 Ų29.50%016%0.155CC..Hα-helixtrans-63.2-47.6175.100000112.8E227 L228 C232 I233 V234E227-G230 WeakPolarHBondContact O-CA 3.37Å; E227-G230 PolarHBondContact O-N 3.16Å; L228-G230 PolarHBondContact O-N 3.15Å; G230-C232 VanDerWaalsContact C-N 3.26Å; G230-C232 PolarHBondContact O-N 3.45Å; G230-I233 PolarHBondContact O-N 2.85Å; G230-I233 VanDerWaalsContact O-N 3.15Å; G230-V234 WeakPolarHBondContact O-CG2 3.3Å; G230-V234 PolarHBondContact O-N 2.71Å
231K98.1Very high95.3Very high51 Ų5133.5 Ų33.522%0.22218%0.177CC..Hα-helixtrans-57.1-40.7174.9-71.5-172.2178.7179.50112.3Q24 E227 L228 S235 I261 K262 D263 V264Q24-K231 HydrophobicContact CG-CG 4.16Å; E227-K231 PolarHBondContact O-N 3.14Å; E227-K231 VanDerWaalsContact O-N 3.11Å; L228-K231 PolarHBondContact O-N 3.42Å; K231-S235 WeakPolarHBondContact O-CB 3.45Å; K231-S235 PolarHBondContact O-N 3.43Å; K231-S235 PolarHBondContact O-OG 3.47Å; K231-I261 HydrophobicContact CB-CD1 4.44Å; K231-I261 HydrophobicContact CB-CG2 3.75Å; K231-I261 HydrophobicContact CD-CG2 3.6Å; K231-I261 HydrophobicContact CG-CG2 4.33Å; K231-K262 WeakPolarHBondContact CD-O 3.43Å; K231-K262 PolarHBondContact NZ-O 3.01Å; K231-D263 PolarHBondContact NZ-O 2.69Å; K231-V264 HydrophobicContact CD-CG1 4.45Å; K231-V264 VanDerWaalsContact CE-CG1 3.41Å
232C98.4Very high96.1Very high0 Ų032.8 Ų32.80%017%0.168CC..Hα-helixtrans-63.4-45.4177-67.80000111.7L228 S229 G230 S235 L236 L255L228-C232 PolarHBondContact O-N 3.2Å; L228-C232 PolarHBondContact O-SG 3.11Å; S229-C232 WeakPolarHBondContact O-CB 3.3Å; S229-C232 PolarHBondContact O-N 2.9Å; G230-C232 VanDerWaalsContact C-N 3.26Å; G230-C232 PolarHBondContact O-N 3.45Å; C232-S235 PolarHBondContact O-N 3.28Å; C232-L236 WeakPolarHBondContact O-CB 3.11Å; C232-L236 WeakPolarHBondContact O-CG 3.33Å; C232-L236 PolarHBondContact O-N 3.41Å; C232-L255 HydrophobicContact CB-CB 4.21Å; C232-L255 HydrophobicContact CB-CD1 3.81Å
233I98.7Very high96.8Very high0 Ų030.7 Ų30.70%016%0.156CC..Hα-helixtrans-65.2-44.1178.6-67.6169.3000111.1I21 L25 I86 V88 F143 V145 L189 S229 G230 S235 L236 A237I21-I233 HydrophobicContact CD1-CD1 3.75Å; I21-I233 HydrophobicContact CG1-CD1 4Å; I21-I233 HydrophobicContact CG2-CD1 3.76Å; L25-I233 HydrophobicContact CD2-CG2 4.17Å; I86-I233 HydrophobicContact CG2-CG2 4.42Å; V88-I233 HydrophobicContact CG1-CD1 4.22Å; V88-I233 HydrophobicContact CG2-CD1 4.13Å; F143-I233 HydrophobicContact CE1-CG2 4.14Å; V145-I233 HydrophobicContact CB-CD1 4.48Å; V145-I233 HydrophobicContact CG1-CD1 4.01Å; V145-I233 HydrophobicContact CG1-CG1 4.32Å; V145-I233 HydrophobicContact CG2-CD1 4.43Å; V145-I233 HydrophobicContact CG2-CG1 4.27Å; V145-I233 HydrophobicContact CG2-CG2 4.46Å; L189-I233 HydrophobicContact CD2-CD1 4.02Å; L189-I233 HydrophobicContact CD2-CG1 3.99Å; S229-I233 WeakPolarHBondContact O-CG1 3.48Å; S229-I233 PolarHBondContact O-N 3.34Å; G230-I233 PolarHBondContact O-N 2.85Å; G230-I233 VanDerWaalsContact O-N 3.15Å; I233-S235 VanDerWaalsContact C-N 3.31Å; I233-S235 PolarHBondContact O-N 2.82Å; I233-L236 PolarHBondContact O-N 3.36Å; I233-A237 WeakPolarHBondContact O-CB 3.11Å; I233-A237 PolarHBondContact O-N 2.86Å
234V98.6Very high97.3Very high19 Ų1933.8 Ų33.812%0.11518%0.177CC..Hα-helixtrans-60.2-42.4176.1171.70000111L3 Q24 L25 A28 G230 A237 N238L3-V234 HydrophobicContact CD1-CG1 4.39Å; L3-V234 HydrophobicContact CD1-CG2 4.14Å; Q24-V234 HydrophobicContact CB-CG2 4.39Å; L25-V234 HydrophobicContact CD2-CG2 4.02Å; A28-V234 HydrophobicContact CB-CG1 3.85Å; A28-V234 HydrophobicContact CB-CG2 4.17Å; G230-V234 WeakPolarHBondContact O-CG2 3.3Å; G230-V234 PolarHBondContact O-N 2.71Å; V234-A237 PolarHBondContact O-N 3.47Å; V234-N238 PolarHBondContact O-N 3.35Å; V234-N238 PolarHBondContact O-ND2 3.14Å
235S98.3Very high97.5Very high22 Ų2234 Ų3415%0.15418%0.178CC..Hα-helixtrans-66.7-40.9178.2-58.10000112K231 C232 I233 N238 D239 I261K231-S235 WeakPolarHBondContact O-CB 3.45Å; K231-S235 PolarHBondContact O-N 3.43Å; K231-S235 PolarHBondContact O-OG 3.47Å; C232-S235 PolarHBondContact O-N 3.28Å; I233-S235 VanDerWaalsContact C-N 3.31Å; I233-S235 PolarHBondContact O-N 2.82Å; S235-N238 PolarHBondContact O-N 2.86Å; S235-D239 PolarHBondContact O-N 3.26Å; S235-I261 WeakPolarHBondContact OG-CD1 3.35Å
236L98.4Very high97.6Very high0 Ų034 Ų340%018%0.178CC..Hα-helixtrans-63.4-43.6174.6-80.9167.8000112.4F143 C232 I233 N238 D239 L242 L245 L250 L255 Y259F143-L236 HydrophobicContact CE1-CB 4Å; F143-L236 HydrophobicContact CZ-CB 4Å; F143-L236 HydrophobicContact CZ-CD1 4.16Å; C232-L236 WeakPolarHBondContact O-CB 3.11Å; C232-L236 WeakPolarHBondContact O-CG 3.33Å; C232-L236 PolarHBondContact O-N 3.41Å; I233-L236 PolarHBondContact O-N 3.36Å; L236-N238 PolarHBondContact O-N 3.16Å; L236-D239 WeakPolarHBondContact O-CB 3.5Å; L236-D239 PolarHBondContact O-N 3.13Å; L236-L242 HydrophobicContact CB-CD1 4.11Å; L236-L242 HydrophobicContact CD2-CD1 4Å; L236-L245 HydrophobicContact CD2-CD1 3.51Å; L236-L250 HydrophobicContact CD1-CD1 4.06Å; L236-L250 HydrophobicContact CD2-CD1 4.08Å; L236-L255 HydrophobicContact CD1-CD1 3.65Å; L236-L255 HydrophobicContact CD1-CD2 4.28Å; L236-L255 HydrophobicContact CD2-CD2 4.05Å; L236-L255 HydrophobicContact CG-CD1 4.35Å; L236-L255 HydrophobicContact CG-CD2 4.29Å; L236-Y259 HydrophobicContact CD2-CE2 4.16Å; L236-Y259 WeakPolarHBondContact CD2-OH 3.22Å; L236-Y259 HydrophobicContact CG-CE2 4.18Å
237A98.1Very high97.8Very high12 Ų1234.5 Ų34.510%0.09919%0.187CC..Hα-helixtrans-60.3-28.1179.500000112.7L3 W6 I86 F143 I233 V234L3-A237 HydrophobicContact CD1-CB 4.46Å; L3-A237 HydrophobicContact CD2-CB 4.02Å; W6-A237 HydrophobicContact CH2-CB 4.26Å; W6-A237 WeakPolarHBondContact CH2-O 3.36Å; W6-A237 HydrophobicContact CZ3-CB 3.89Å; I86-A237 HydrophobicContact CD1-CB 3.83Å; F143-A237 HydrophobicContact CD1-CB 4.45Å; I233-A237 WeakPolarHBondContact O-CB 3.11Å; I233-A237 PolarHBondContact O-N 2.86Å; V234-A237 PolarHBondContact O-N 3.47Å
238N96.8Very high97.8Very high49 Ų4938 Ų3826%0.26220%0.202SC..THydrogen-bonded Turntrans-94.1-1.9175.9-71.3-81.5000113.8M1 V234 S235 L236 K240M1-N238 HydrophobicContact CB-CB 4.14Å; M1-N238 VanDerWaalsContact CB-CG 3.47Å; M1-N238 WeakPolarHBondContact CB-OD1 3.28Å; M1-N238 HydrophobicContact CG-CB 4.3Å; M1-N238 HydrophobicContact SD-CB 3.23Å; M1-N238 WeakPolarHBondContact SD-CB 3.43Å; V234-N238 PolarHBondContact O-N 3.35Å; V234-N238 PolarHBondContact O-ND2 3.14Å; S235-N238 PolarHBondContact O-N 2.86Å; L236-N238 PolarHBondContact O-N 3.16Å; N238-K240 PolarHBondContact O-N 3.02Å
239D96.8Very high97.7Very high27 Ų2740.4 Ų40.414%0.14422%0.217CC..  trans-77.4115.8178.3-167.7-28.9000110.2S235 L236 N241 L242 R258 Y259S235-D239 PolarHBondContact O-N 3.26Å; L236-D239 WeakPolarHBondContact O-CB 3.5Å; L236-D239 PolarHBondContact O-N 3.13Å; D239-N241 PolarHBondContact O-N 3.49Å; D239-N241 WeakPolarHBondContact OD1-CA 3.42Å; D239-N241 WeakPolarHBondContact OD1-CB 3.43Å; D239-N241 PolarHBondContact OD1-N 3.36Å; D239-L242 VanDerWaalsContact O-CB 3.27Å; D239-L242 WeakPolarHBondContact O-CB 3.43Å; D239-L242 PolarHBondContact O-N 2.86Å; D239-R258 IonicContact OD1-NH2 3.98Å; D239-R258 IonicContact OD2-CZ 3.4Å; D239-R258 IonicContact OD2-NE 3.52Å; D239-R258 IonicContact OD2-NH2 2.7Å; D239-R258 PolarHBondContact OD2-NH2 2.99Å; D239-Y259 HydrophobicContact CB-CE1 4.33Å; D239-Y259 WeakPolarHBondContact OD2-CE1 3.37Å; D239-Y259 PolarHBondContact OD2-OH 3.19Å
240K95.6Very high97.6Very high208 Ų20840.8 Ų40.890%0.90422%0.219SC*.THydrogen-bonded Turntrans-57.9-21.7177.1-64-176.6179.4-179.10113.1N238N238-K240 PolarHBondContact O-N 3.02Å
241N95.8Very high97.5Very high103 Ų10341.6 Ų41.655%0.55122%0.222SC*.THydrogen-bonded Turntrans-102.218.1179.3-59.8-58.9000112.8D239 M243 S244D239-N241 PolarHBondContact O-N 3.49Å; D239-N241 WeakPolarHBondContact OD1-CA 3.42Å; D239-N241 WeakPolarHBondContact OD1-CB 3.43Å; D239-N241 PolarHBondContact OD1-N 3.36Å; N241-M243 VanDerWaalsContact C-N 3.25Å; N241-M243 PolarHBondContact O-N 3.06Å; N241-S244 VanDerWaalsContact O-CB 3.28Å; N241-S244 WeakPolarHBondContact O-CB 3.34Å; N241-S244 PolarHBondContact O-N 2.92Å; N241-S244 PolarHBondContact O-OG 3.45Å
242L97.7Very high97.4Very high22 Ų2239.2 Ų39.212%0.11521%0.212CC..G310 helixtrans-50.9-42.6-178.7177.659.2000112.9F143 T185 L236 D239 S244 L245F143-L242 HydrophobicContact CB-CD2 4.28Å; F143-L242 HydrophobicContact CD1-CD2 4.07Å; F143-L242 HydrophobicContact CD2-CD1 4.38Å; F143-L242 HydrophobicContact CD2-CD2 4Å; F143-L242 HydrophobicContact CE1-CD2 4.38Å; F143-L242 HydrophobicContact CE2-CD1 3.91Å; F143-L242 HydrophobicContact CE2-CD2 4.32Å; F143-L242 HydrophobicContact CG-CD2 3.87Å; F143-L242 HydrophobicContact CZ-CD1 3.99Å; F143-L242 HydrophobicContact CZ-CD2 4.5Å; T185-L242 HydrophobicContact CG2-CD1 4.11Å; T185-L242 HydrophobicContact CG2-CG 3.94Å; L236-L242 HydrophobicContact CB-CD1 4.11Å; L236-L242 HydrophobicContact CD2-CD1 4Å; D239-L242 VanDerWaalsContact O-CB 3.27Å; D239-L242 WeakPolarHBondContact O-CB 3.43Å; D239-L242 PolarHBondContact O-N 2.86Å; L242-S244 PolarHBondContact O-N 3.35Å; L242-S244 VanDerWaalsContact O-N 3.16Å; L242-L245 WeakPolarHBondContact O-CA 3.29Å; L242-L245 VanDerWaalsContact O-CB 3.31Å; L242-L245 WeakPolarHBondContact O-CB 3.23Å; L242-L245 PolarHBondContact O-N 2.95Å
243M98.2Very high97.1Very high61 Ų6139.5 Ų39.530%0.321%0.214SC..G310 helixtrans-60.7-27179-175.157.472.300113.3K180 G183 N241 L245 T246K180-M243 HydrophobicContact CG-SD 4.1Å; G183-M243 VanDerWaalsContact C-CE 3.46Å; N241-M243 VanDerWaalsContact C-N 3.25Å; N241-M243 PolarHBondContact O-N 3.06Å; M243-L245 PolarHBondContact O-N 2.86Å; M243-L245 VanDerWaalsContact O-N 3.15Å; M243-T246 WeakPolarHBondContact O-CB 3.07Å; M243-T246 VanDerWaalsContact O-CG2 3.27Å; M243-T246 WeakPolarHBondContact O-CG2 3.22Å; M243-T246 PolarHBondContact O-N 3.34Å; M243-T246 VanDerWaalsContact O-N 3.16Å; M243-T246 HydrophobicContact SD-CG2 3.81Å
244S97.8Very high96.9Very high68 Ų6840.1 Ų40.148%0.47622%0.217SC..G310 helixtrans-66.7-12.7173.977.20000113.3N241 L242 K248N241-S244 VanDerWaalsContact O-CB 3.28Å; N241-S244 WeakPolarHBondContact O-CB 3.34Å; N241-S244 PolarHBondContact O-N 2.92Å; N241-S244 PolarHBondContact O-OG 3.45Å; L242-S244 PolarHBondContact O-N 3.35Å; L242-S244 VanDerWaalsContact O-N 3.16Å; S244-K248 WeakPolarHBondContact O-CE 3.39Å; S244-K248 PolarHBondContact O-NZ 3.36Å
245L98.1Very high96.7Very high8 Ų839.4 Ų39.44%0.04221%0.213CC..G310 helixtrans-101.9-5.6178.8-49.8176.9000112.9I187 L236 L242 M243 G247 K248 L250I187-L245 WeakPolarHBondContact CG2-O 3.5Å; L236-L245 HydrophobicContact CD2-CD1 3.51Å; L242-L245 WeakPolarHBondContact O-CA 3.29Å; L242-L245 VanDerWaalsContact O-CB 3.31Å; L242-L245 WeakPolarHBondContact O-CB 3.23Å; L242-L245 PolarHBondContact O-N 2.95Å; M243-L245 PolarHBondContact O-N 2.86Å; M243-L245 VanDerWaalsContact O-N 3.15Å; L245-G247 PolarHBondContact O-N 3.19Å; L245-K248 HydrophobicContact CD2-CD 4.39Å; L245-K248 VanDerWaalsContact O-CB 3.26Å; L245-K248 WeakPolarHBondContact O-CB 3.21Å; L245-K248 WeakPolarHBondContact O-CG 3.38Å; L245-K248 PolarHBondContact O-N 3.21Å; L245-K248 VanDerWaalsContact O-N 3.1Å; L245-L250 HydrophobicContact CB-CD1 4.26Å; L245-L250 HydrophobicContact CD1-CD1 4.22Å
246T98.6Very high96.6Very high22 Ų2238.6 Ų38.614%0.13521%0.208CC..THydrogen-bonded Turntrans-55.1135.9178.1-156.10000110.9A176 K180 S186 M243 K248A176-T246 HydrophobicContact CB-CG2 4.45Å; A176-T246 WeakPolarHBondContact CB-OG1 3.35Å; K180-T246 HydrophobicContact CD-CG2 4.27Å; K180-T246 HydrophobicContact CG-CG2 4.42Å; S186-T246 PolarHBondContact N-OG1 3.3Å; S186-T246 VanDerWaalsContact N-OG1 3.15Å; S186-T246 CarbonylContact O-C 3.58Å; S186-T246 WeakPolarHBondContact O-CA 3.29Å; M243-T246 WeakPolarHBondContact O-CB 3.07Å; M243-T246 VanDerWaalsContact O-CG2 3.27Å; M243-T246 WeakPolarHBondContact O-CG2 3.22Å; M243-T246 PolarHBondContact O-N 3.34Å; M243-T246 VanDerWaalsContact O-N 3.16Å; M243-T246 HydrophobicContact SD-CG2 3.81Å; T246-K248 VanDerWaalsContact C-N 3.31Å; T246-K248 PolarHBondContact O-N 2.85Å
247G98.1Very high96.3Very high29 Ų2943 Ų4330%0.29922%0.224SC..THydrogen-bonded Turntrans78.54.1-17800000115.3S186 L245S186-G247 PolarHBondContact O-N 2.95Å; L245-G247 PolarHBondContact O-N 3.19Å
248K97.3Very high96.1Very high97 Ų9747.9 Ų47.942%0.42224%0.24SC..  trans-95.6150.8-179.2-60.9-176.7-177.3160.30112.5S188 S244 L245 T246 L250S188-K248 PolarHBondContact N-O 2.85Å; S244-K248 WeakPolarHBondContact O-CE 3.39Å; S244-K248 PolarHBondContact O-NZ 3.36Å; L245-K248 HydrophobicContact CD2-CD 4.39Å; L245-K248 VanDerWaalsContact O-CB 3.26Å; L245-K248 WeakPolarHBondContact O-CB 3.21Å; L245-K248 WeakPolarHBondContact O-CG 3.38Å; L245-K248 PolarHBondContact O-N 3.21Å; L245-K248 VanDerWaalsContact O-N 3.1Å; T246-K248 VanDerWaalsContact C-N 3.31Å; T246-K248 PolarHBondContact O-N 2.85Å; K248-L250 HydrophobicContact CB-CD2 4.04Å; K248-L250 HydrophobicContact CB-CG 4.49Å
249V95.9Very high96Very high51 Ų5148.5 Ų48.531%0.30924%0.239SC..EExtended strand (participates in β ladder)trans-80.9128.7159.2171.80000108.8D169 S188 W190D169-V249 HydrophobicContact CB-CG2 4.31Å; S188-V249 CarbonylContact O-C 3.5Å; S188-V249 WeakPolarHBondContact O-CA 3.34Å; W190-V249 HydrophobicContact CD2-CG1 3.45Å; W190-V249 VanDerWaalsContact CD2-CG1 3.45Å; W190-V249 HydrophobicContact CE3-CG1 3.99Å; W190-V249 HydrophobicContact CG-CG1 3.76Å; W190-V249 HydrophobicContact CH2-CG1 4.15Å; W190-V249 HydrophobicContact CZ2-CG1 3.68Å; W190-V249 HydrophobicContact CZ2-CG2 4.24Å; W190-V249 HydrophobicContact CZ3-CG1 4.3Å
250L96.4Very high96Very high8 Ų850.4 Ų50.44%0.04227%0.265CS..EExtended strand (participates in β ladder)trans-125.5123.3-179.3-56178.6000109.7I187 S188 L189 W190 L236 L245 K248 L255I187-L250 HydrophobicContact CB-CD1 4.2Å; I187-L250 HydrophobicContact CD1-CD1 4.24Å; I187-L250 HydrophobicContact CG1-CD1 4.26Å; I187-L250 HydrophobicContact CG2-CD1 4.16Å; S188-L250 PolarHBondContact O-N 2.94Å; L189-L250 CarbonylContact C-O 3.56Å; L189-L250 WeakPolarHBondContact CA-O 3.29Å; W190-L250 PolarHBondContact N-O 3.44Å; L236-L250 HydrophobicContact CD1-CD1 4.06Å; L236-L250 HydrophobicContact CD2-CD1 4.08Å; L245-L250 HydrophobicContact CB-CD1 4.26Å; L245-L250 HydrophobicContact CD1-CD1 4.22Å; K248-L250 HydrophobicContact CB-CD2 4.04Å; K248-L250 HydrophobicContact CB-CG 4.49Å; L250-L255 HydrophobicContact CB-CD1 4.06Å; L250-L255 HydrophobicContact CB-CD2 4.27Å; L250-L255 HydrophobicContact CB-CG 4.32Å; L250-L255 HydrophobicContact CD1-CD2 4.24Å
251M95.2Very high96Very high16 Ų1641.4 Ų41.48%0.07923%0.227CC..EExtended strand (participates in β ladder)trans-87.7139.1175.5-70169.7-85.300110.6W190 C253 D254 L255 T273W190-M251 HydrophobicContact CB-CG 3.98Å; W190-M251 HydrophobicContact CE3-CG 4.05Å; W190-M251 HydrophobicContact CE3-SD 4.4Å; W190-M251 WeakPolarHBondContact O-CA 3.34Å; M251-C253 VanDerWaalsContact C-N 3.27Å; M251-C253 PolarHBondContact O-N 2.85Å; M251-D254 HydrophobicContact CB-CB 4.35Å; M251-D254 WeakPolarHBondContact CE-OD2 3.25Å; M251-D254 WeakPolarHBondContact O-CB 3.48Å; M251-D254 PolarHBondContact O-N 3.26Å; M251-L255 WeakPolarHBondContact O-CG 3.33Å; M251-L255 PolarHBondContact O-N 3.49Å; M251-T273 HydrophobicContact CE-CG2 3.83Å; M251-T273 HydrophobicContact SD-CG2 3.54Å; M251-T273 VanDerWaalsContact SD-CG2 3.54Å
252T96.3Very high96Very high1 Ų141.7 Ų41.71%0.00622%0.223CC..Hα-helixtrans-54.5-40.717642.10000112.4L189 W190 P191 G192 E224 D254 L255 A256L189-T252 HydrophobicContact CD1-CG2 4.25Å; L189-T252 HydrophobicContact CG-CG2 4.45Å; W190-T252 PolarHBondContact O-N 3.14Å; W190-T252 PolarHBondContact O-OG1 3.42Å; P191-T252 HydrophobicContact CB-CG2 4.35Å; G192-T252 PolarHBondContact N-OG1 3.04Å; E224-T252 VanDerWaalsContact CD-OG1 3.25Å; E224-T252 PolarHBondContact OE1-OG1 3.43Å; E224-T252 PolarHBondContact OE2-OG1 3.24Å; E224-T252 VanDerWaalsContact OE2-OG1 3.08Å; T252-D254 VanDerWaalsContact C-N 3.32Å; T252-D254 PolarHBondContact O-N 3.02Å; T252-L255 PolarHBondContact O-N 3.09Å; T252-A256 VanDerWaalsContact O-CB 3.24Å; T252-A256 WeakPolarHBondContact O-CB 3.3Å; T252-A256 PolarHBondContact O-N 3.07Å
253C93.1Very high95.8Very high7 Ų741 Ų415%0.04722%0.22CC..Hα-helixtrans-62.8-35.3176.164.10000113.5M251 R257 V269 T270M251-C253 VanDerWaalsContact C-N 3.27Å; M251-C253 PolarHBondContact O-N 2.85Å; C253-R257 PolarHBondContact O-N 3.02Å; C253-R257 VanDerWaalsContact O-N 3.15Å; C253-V269 HydrophobicContact CB-CG1 3.88Å; C253-T270 VanDerWaalsContact CB-O 3.27Å; C253-T270 WeakPolarHBondContact CB-O 3.43Å
254D93.1Very high95.6Very high12 Ų1240.8 Ų40.86%0.06422%0.222CC..Hα-helixtrans-72-40.1176-81.3-29.3000112M251 T252 R257 R258 R300M251-D254 HydrophobicContact CB-CB 4.35Å; M251-D254 WeakPolarHBondContact CE-OD2 3.25Å; M251-D254 WeakPolarHBondContact O-CB 3.48Å; M251-D254 PolarHBondContact O-N 3.26Å; T252-D254 VanDerWaalsContact C-N 3.32Å; T252-D254 PolarHBondContact O-N 3.02Å; D254-R257 IonicContact OD1-CZ 3.57Å; D254-R257 IonicContact OD1-NH1 2.73Å; D254-R257 PolarHBondContact OD1-NH1 3.37Å; D254-R257 IonicContact OD1-NH2 3.69Å; D254-R257 PolarHBondContact OD1-NH2 3.18Å; D254-R258 WeakPolarHBondContact O-CB 3.39Å; D254-R258 PolarHBondContact O-N 3.21Å; D254-R300 VanDerWaalsContact CG-NH2 3.29Å; D254-R300 IonicContact OD1-NH2 3.47Å; D254-R300 IonicContact OD2-CZ 3.53Å; D254-R300 VanDerWaalsContact OD2-CZ 3.3Å; D254-R300 IonicContact OD2-NE 2.88Å; D254-R300 PolarHBondContact OD2-NE 3.06Å; D254-R300 IonicContact OD2-NH2 2.82Å; D254-R300 PolarHBondContact OD2-NH2 2.83Å
255L96.1Very high95.4Very high4 Ų441.2 Ų41.22%0.02122%0.218CC..Hα-helixtrans-68.5-39.4176-61.8175.6000111L189 C232 L236 L250 M251 T252 R257 R258 Y259L189-L255 HydrophobicContact CD1-CD1 3.54Å; C232-L255 HydrophobicContact CB-CB 4.21Å; C232-L255 HydrophobicContact CB-CD1 3.81Å; L236-L255 HydrophobicContact CD1-CD1 3.65Å; L236-L255 HydrophobicContact CD1-CD2 4.28Å; L236-L255 HydrophobicContact CD2-CD2 4.05Å; L236-L255 HydrophobicContact CG-CD1 4.35Å; L236-L255 HydrophobicContact CG-CD2 4.29Å; L250-L255 HydrophobicContact CB-CD1 4.06Å; L250-L255 HydrophobicContact CB-CD2 4.27Å; L250-L255 HydrophobicContact CB-CG 4.32Å; L250-L255 HydrophobicContact CD1-CD2 4.24Å; M251-L255 WeakPolarHBondContact O-CG 3.33Å; M251-L255 PolarHBondContact O-N 3.49Å; T252-L255 PolarHBondContact O-N 3.09Å; L255-R257 VanDerWaalsContact C-N 3.29Å; L255-R257 PolarHBondContact O-N 3.46Å; L255-R258 PolarHBondContact O-N 2.88Å; L255-R258 VanDerWaalsContact O-N 3.16Å; L255-Y259 HydrophobicContact CB-CD2 4.28Å; L255-Y259 HydrophobicContact CB-CE2 4.38Å; L255-Y259 HydrophobicContact CD2-CE2 3.95Å; L255-Y259 VanDerWaalsContact O-CD2 3.22Å; L255-Y259 WeakPolarHBondContact O-CD2 3.31Å; L255-Y259 PolarHBondContact O-N 3.07Å
256A95Very high95.1Very high5 Ų543 Ų434%0.04124%0.239CC..Hα-helixtrans-59.7-44176.700000111.3T252 G260 I261 V269T252-A256 VanDerWaalsContact O-CB 3.24Å; T252-A256 WeakPolarHBondContact O-CB 3.3Å; T252-A256 PolarHBondContact O-N 3.07Å; A256-G260 CarbonylContact O-C 3.58Å; A256-G260 VanDerWaalsContact O-CA 3.29Å; A256-G260 WeakPolarHBondContact O-CA 2.98Å; A256-G260 PolarHBondContact O-N 2.78Å; A256-I261 HydrophobicContact CB-CB 4.12Å; A256-I261 PolarHBondContact O-N 3.48Å; A256-V269 HydrophobicContact CB-CB 3.85Å; A256-V269 HydrophobicContact CB-CG1 4.27Å; A256-V269 HydrophobicContact CB-CG2 3.6Å
257R92.3Very high94.8Very high94 Ų9446 Ų4636%0.35525%0.248SC..Hα-helixtrans-65-46.4172.4-167-167.4-41.4115.43.4113C253 D254 L255 Y259 G260 D271 R297C253-R257 PolarHBondContact O-N 3.02Å; C253-R257 VanDerWaalsContact O-N 3.15Å; D254-R257 IonicContact OD1-CZ 3.57Å; D254-R257 IonicContact OD1-NH1 2.73Å; D254-R257 PolarHBondContact OD1-NH1 3.37Å; D254-R257 IonicContact OD1-NH2 3.69Å; D254-R257 PolarHBondContact OD1-NH2 3.18Å; L255-R257 VanDerWaalsContact C-N 3.29Å; L255-R257 PolarHBondContact O-N 3.46Å; R257-Y259 VanDerWaalsContact C-N 3.26Å; R257-Y259 PolarHBondContact O-N 2.99Å; R257-G260 PolarHBondContact O-N 3.34Å; R257-D271 IonicContact CZ-OD2 3.29Å; R257-D271 IonicContact NE-OD2 3.69Å; R257-D271 IonicContact NH2-OD1 3.81Å; R257-D271 PolarHBondContact NH2-OD1 3.21Å; R257-D271 IonicContact NH2-OD2 3.3Å; R257-D271 PolarHBondContact NH2-OD2 2.82Å; R257-R297 VanDerWaalsContact NH2-NE 3.12Å
258R93.9Very high94.4Very high113 Ų11350.4 Ų50.443%0.42626%0.264SS..Hα-helixtrans-58.4-39.2-177.9176.4177.4175.1153.9-4.5112.1D239 D254 L255D239-R258 IonicContact OD1-NH2 3.98Å; D239-R258 IonicContact OD2-CZ 3.4Å; D239-R258 IonicContact OD2-NE 3.52Å; D239-R258 IonicContact OD2-NH2 2.7Å; D239-R258 PolarHBondContact OD2-NH2 2.99Å; D254-R258 WeakPolarHBondContact O-CB 3.39Å; D254-R258 PolarHBondContact O-N 3.21Å; L255-R258 PolarHBondContact O-N 2.88Å; L255-R258 VanDerWaalsContact O-N 3.16Å
259Y95.9Very high94Very high62 Ų6247.1 Ų47.124%0.24325%0.252CS..Hα-helixtrans-1083.9-174.4-58.1-61.6000113.7L236 D239 L255 R257 I261L236-Y259 HydrophobicContact CD2-CE2 4.16Å; L236-Y259 WeakPolarHBondContact CD2-OH 3.22Å; L236-Y259 HydrophobicContact CG-CE2 4.18Å; D239-Y259 HydrophobicContact CB-CE1 4.33Å; D239-Y259 WeakPolarHBondContact OD2-CE1 3.37Å; D239-Y259 PolarHBondContact OD2-OH 3.19Å; L255-Y259 HydrophobicContact CB-CD2 4.28Å; L255-Y259 HydrophobicContact CB-CE2 4.38Å; L255-Y259 HydrophobicContact CD2-CE2 3.95Å; L255-Y259 VanDerWaalsContact O-CD2 3.22Å; L255-Y259 WeakPolarHBondContact O-CD2 3.31Å; L255-Y259 PolarHBondContact O-N 3.07Å; R257-Y259 VanDerWaalsContact C-N 3.26Å; R257-Y259 PolarHBondContact O-N 2.99Å; Y259-I261 VanDerWaalsContact C-N 3.35Å; Y259-I261 HydrophobicContact CD2-CD1 4.26Å; Y259-I261 PolarHBondContact O-N 2.88Å
260G95.3Very high93.5Very high67 Ų6747.2 Ų47.269%0.69125%0.253SS*.THydrogen-bonded Turntrans65.133.8-17800000114A256 R257A256-G260 CarbonylContact O-C 3.58Å; A256-G260 VanDerWaalsContact O-CA 3.29Å; A256-G260 WeakPolarHBondContact O-CA 2.98Å; A256-G260 PolarHBondContact O-N 2.78Å; R257-G260 PolarHBondContact O-N 3.34Å
261I95.8Very high93Very high20 Ų2047.9 Ų47.910%0.10326%0.257CS..PPolyproline II helixtrans-82.5131.8-177.8-53.7165.8000109.7L228 K231 S235 A256 Y259L228-I261 HydrophobicContact CD1-CG2 3.77Å; K231-I261 HydrophobicContact CB-CD1 4.44Å; K231-I261 HydrophobicContact CB-CG2 3.75Å; K231-I261 HydrophobicContact CD-CG2 3.6Å; K231-I261 HydrophobicContact CG-CG2 4.33Å; S235-I261 WeakPolarHBondContact OG-CD1 3.35Å; A256-I261 HydrophobicContact CB-CB 4.12Å; A256-I261 PolarHBondContact O-N 3.48Å; Y259-I261 VanDerWaalsContact C-N 3.35Å; Y259-I261 HydrophobicContact CD2-CD1 4.26Å; Y259-I261 PolarHBondContact O-N 2.88Å
262K95.3Very high92.2Very high109 Ų10948.7 Ų48.747%0.47426%0.26SS..PPolyproline II helixtrans-100.3155.3161.4-65.3-170.8170.4-155.70110.4K231 D268K231-K262 WeakPolarHBondContact CD-O 3.43Å; K231-K262 PolarHBondContact NZ-O 3.01Å; K262-D268 VanDerWaalsContact CE-OD1 3.31Å; K262-D268 WeakPolarHBondContact CE-OD1 3.4Å; K262-D268 IonicContact NZ-OD1 3.61Å
263D94.9Very high91.4Very high8 Ų849 Ų494%0.04326%0.262CS..PPolyproline II helixtrans-62.8163.6173.1-150.6-25000110.7E224 T225 K231 D265 G266 R267E224-D263 WeakPolarHBondContact CA-OD2 3.45Å; T225-D263 WeakPolarHBondContact CB-OD1 3.36Å; T225-D263 WeakPolarHBondContact CG2-OD1 3.43Å; T225-D263 PolarHBondContact N-OD2 2.97Å; T225-D263 PolarHBondContact OG1-OD1 3.02Å; K231-D263 PolarHBondContact NZ-O 2.69Å; D263-D265 PolarHBondContact O-N 3.44Å; D263-G266 PolarHBondContact O-N 2.96Å; D263-R267 PolarHBondContact N-O 3.07Å
264V93.4Very high91Very high56 Ų5649.1 Ų49.134%0.33926%0.262SS..THydrogen-bonded Turntrans-66.5-21.4-176.8-67.50000113.5T225 E227 K231 G266T225-V264 HydrophobicContact CG2-CG2 3.88Å; T225-V264 VanDerWaalsContact OG1-CG2 3.3Å; T225-V264 WeakPolarHBondContact OG1-CG2 3.04Å; E227-V264 HydrophobicContact CB-CB 4.39Å; E227-V264 HydrophobicContact CB-CG1 3.48Å; E227-V264 VanDerWaalsContact CB-CG1 3.48Å; E227-V264 HydrophobicContact CB-CG2 4.02Å; E227-V264 HydrophobicContact CG-CG1 4.23Å; E227-V264 HydrophobicContact CG-CG2 4.36Å; K231-V264 HydrophobicContact CD-CG1 4.45Å; K231-V264 VanDerWaalsContact CE-CG1 3.41Å; V264-G266 VanDerWaalsContact C-N 3.27Å
265D92.8Very high90.4Very high76 Ų7651.1 Ų51.141%0.40627%0.273SS..THydrogen-bonded Turntrans-85.62.9173.462.417.3000113.2T225 D263 R267T225-D265 HydrophobicContact CG2-CB 4.45Å; T225-D265 WeakPolarHBondContact CG2-OD2 3.46Å; D263-D265 PolarHBondContact O-N 3.44Å; D265-R267 VanDerWaalsContact C-N 3.33Å; D265-R267 VanDerWaalsContact CG-NE 3.34Å; D265-R267 PolarHBondContact O-N 3.18Å; D265-R267 WeakPolarHBondContact OD1-CB 3.42Å; D265-R267 WeakPolarHBondContact OD1-CG 3.46Å; D265-R267 PolarHBondContact OD1-N 3.38Å; D265-R267 IonicContact OD1-NE 3.95Å; D265-R267 PolarHBondContact OD1-NE 3.34Å; D265-R267 IonicContact OD2-CZ 3.11Å; D265-R267 IonicContact OD2-NE 2.65Å; D265-R267 PolarHBondContact OD2-NE 3.04Å; D265-R267 IonicContact OD2-NH2 3.11Å; D265-R267 PolarHBondContact OD2-NH2 2.91Å
266G91.8Very high89.8Confident45 Ų4555 Ų5546%0.46429%0.289SS..SBendtrans84.7-3.5177.700000115.1D263 V264D263-G266 PolarHBondContact O-N 2.96Å; V264-G266 VanDerWaalsContact C-N 3.27Å
267R92.3Very high89.3Confident87 Ų8756.9 Ų56.933%0.32830%0.297SS..PPolyproline II helixtrans-70.4150.8175.9-65.4-176-66.9146.47.5111.4Q195 G223 D263 D265Q195-R267 VanDerWaalsContact NE2-NH2 3.2Å; G223-R267 PolarHBondContact O-NH2 2.98Å; D263-R267 PolarHBondContact N-O 3.07Å; D265-R267 VanDerWaalsContact C-N 3.33Å; D265-R267 VanDerWaalsContact CG-NE 3.34Å; D265-R267 PolarHBondContact O-N 3.18Å; D265-R267 WeakPolarHBondContact OD1-CB 3.42Å; D265-R267 WeakPolarHBondContact OD1-CG 3.46Å; D265-R267 PolarHBondContact OD1-N 3.38Å; D265-R267 IonicContact OD1-NE 3.95Å; D265-R267 PolarHBondContact OD1-NE 3.34Å; D265-R267 IonicContact OD2-CZ 3.11Å; D265-R267 IonicContact OD2-NE 2.65Å; D265-R267 PolarHBondContact OD2-NE 3.04Å; D265-R267 IonicContact OD2-NH2 3.11Å; D265-R267 PolarHBondContact OD2-NH2 2.91Å
268D89.8Confident88.8Confident120 Ų12054.9 Ų54.964%0.64229%0.293SS*.PPolyproline II helixtrans-71.5144.5167.9-67.1-49.8000109.9K262 T270K262-D268 VanDerWaalsContact CE-OD1 3.31Å; K262-D268 WeakPolarHBondContact CE-OD1 3.4Å; K262-D268 IonicContact NZ-OD1 3.61Å; D268-T270 PolarHBondContact O-N 3.17Å
269V89.6Confident88.3Confident28 Ų2850.2 Ų50.217%0.1728%0.277CS..PPolyproline II helixtrans-77.7125.1-180-175.60000109.5L228 C253 A256 D271L228-V269 HydrophobicContact CD1-CG2 3.72Å; L228-V269 HydrophobicContact CD2-CB 4.24Å; L228-V269 HydrophobicContact CD2-CG1 3.63Å; L228-V269 HydrophobicContact CD2-CG2 3.53Å; L228-V269 HydrophobicContact CG-CG2 4.29Å; C253-V269 HydrophobicContact CB-CG1 3.88Å; A256-V269 HydrophobicContact CB-CB 3.85Å; A256-V269 HydrophobicContact CB-CG1 4.27Å; A256-V269 HydrophobicContact CB-CG2 3.6Å; V269-D271 PolarHBondContact O-N 2.86Å
270T85.8Confident87.6Confident54 Ų5450.2 Ų50.233%0.33128%0.283SS..PPolyproline II helixtrans-63.3125.9179.5-61.70000111C253 D268 F272 F277C253-T270 VanDerWaalsContact CB-O 3.27Å; C253-T270 WeakPolarHBondContact CB-O 3.43Å; D268-T270 PolarHBondContact O-N 3.17Å; T270-F272 HydrophobicContact CG2-CD1 3.8Å; T270-F272 HydrophobicContact CG2-CE1 3.48Å; T270-F272 VanDerWaalsContact CG2-CE1 3.48Å; T270-F272 HydrophobicContact CG2-CG 4.48Å; T270-F272 HydrophobicContact CG2-CZ 3.91Å; T270-F272 WeakPolarHBondContact O-CD2 3.42Å; T270-F272 WeakPolarHBondContact O-CE2 3.35Å; T270-F272 PolarHBondContact O-N 3.36Å; T270-F277 HydrophobicContact CG2-CD2 3.81Å; T270-F277 HydrophobicContact CG2-CE2 4.07Å
271D85.7Confident86.8Confident22 Ų2250.5 Ų50.512%0.11827%0.266CS..  trans-8789176-171.5-11.6000110.8R257 V269 T273 S274 F277 R297R257-D271 IonicContact CZ-OD2 3.29Å; R257-D271 IonicContact NE-OD2 3.69Å; R257-D271 IonicContact NH2-OD1 3.81Å; R257-D271 PolarHBondContact NH2-OD1 3.21Å; R257-D271 IonicContact NH2-OD2 3.3Å; R257-D271 PolarHBondContact NH2-OD2 2.82Å; V269-D271 PolarHBondContact O-N 2.86Å; D271-T273 PolarHBondContact O-N 3.42Å; D271-T273 VanDerWaalsContact O-N 3.08Å; D271-T273 PolarHBondContact OD1-N 2.87Å; D271-T273 PolarHBondContact OD1-OG1 3.05Å; D271-S274 WeakPolarHBondContact O-CB 3.27Å; D271-S274 PolarHBondContact O-N 3.32Å; D271-S274 PolarHBondContact O-OG 3.49Å; D271-S274 PolarHBondContact OD1-N 3.4Å; D271-F277 VanDerWaalsContact O-CB 3.29Å; D271-F277 WeakPolarHBondContact O-CB 3.22Å; D271-R297 IonicContact OD2-CZ 3.67Å; D271-R297 IonicContact OD2-NE 3.19Å; D271-R297 PolarHBondContact OD2-NE 3.12Å; D271-R297 IonicContact OD2-NH2 3.65Å
272F78.9Confident86.1Confident33 Ų3351.5 Ų51.515%0.14527%0.273CS..THydrogen-bonded Turntrans-64.3-9.1179.1-54.1-68.4000114.2P193 T270 F277P193-F272 HydrophobicContact CG-CE1 4.28Å; P193-F272 HydrophobicContact CG-CZ 3.99Å; T270-F272 HydrophobicContact CG2-CD1 3.8Å; T270-F272 HydrophobicContact CG2-CE1 3.48Å; T270-F272 VanDerWaalsContact CG2-CE1 3.48Å; T270-F272 HydrophobicContact CG2-CG 4.48Å; T270-F272 HydrophobicContact CG2-CZ 3.91Å; T270-F272 WeakPolarHBondContact O-CD2 3.42Å; T270-F272 WeakPolarHBondContact O-CE2 3.35Å; T270-F272 PolarHBondContact O-N 3.36Å; F272-F277 HydrophobicContact CB-CD1 4.23Å; F272-F277 HydrophobicContact CB-CE1 4.2Å; F272-F277 HydrophobicContact CD1-CD1 4.23Å; F272-F277 HydrophobicContact CD1-CD2 4.19Å; F272-F277 AromaticContact CD1-CE1 3.74Å; F272-F277 HydrophobicContact CD1-CE1 3.74Å; F272-F277 AromaticContact CD1-CE2 3.69Å; F272-F277 HydrophobicContact CD1-CE2 3.69Å; F272-F277 HydrophobicContact CD1-CG 4.44Å; F272-F277 AromaticContact CD1-CZ 3.47Å; F272-F277 HydrophobicContact CD1-CZ 3.47Å; F272-F277 VanDerWaalsContact CD1-CZ 3.47Å; F272-F277 HydrophobicContact CE1-CE2 4.01Å; F272-F277 HydrophobicContact CE1-CZ 4.04Å; F272-F277 HydrophobicContact CG-CE1 4.48Å; F272-F277 WeakPolarHBondContact O-CD1 3.45Å
273T78.5Confident85.4Confident7 Ų750.7 Ų50.74%0.04328%0.279CS..THydrogen-bonded Turntrans-102.4-6.117770.70000113.3M251 D271 L298 L303M251-T273 HydrophobicContact CE-CG2 3.83Å; M251-T273 HydrophobicContact SD-CG2 3.54Å; M251-T273 VanDerWaalsContact SD-CG2 3.54Å; D271-T273 PolarHBondContact O-N 3.42Å; D271-T273 VanDerWaalsContact O-N 3.08Å; D271-T273 PolarHBondContact OD1-N 2.87Å; D271-T273 PolarHBondContact OD1-OG1 3.05Å; T273-L298 PolarHBondContact O-N 3.02Å; T273-L303 HydrophobicContact CG2-CD1 4.32Å
274S84.3Confident84.9Confident9 Ų958.8 Ų58.86%0.06331%0.31CS..BIsolated β-bridgetrans-66139.6175.668.80000110.2D271 K276 F277 L278 L296D271-S274 WeakPolarHBondContact O-CB 3.27Å; D271-S274 PolarHBondContact O-N 3.32Å; D271-S274 PolarHBondContact O-OG 3.49Å; D271-S274 PolarHBondContact OD1-N 3.4Å; S274-K276 PolarHBondContact O-N 2.87Å; S274-F277 PolarHBondContact O-N 2.87Å; S274-F277 VanDerWaalsContact O-N 3.08Å; S274-F277 WeakPolarHBondContact OG-CB 3.41Å; S274-F277 PolarHBondContact OG-N 2.98Å; S274-L278 WeakPolarHBondContact O-CG 3.23Å; S274-L278 PolarHBondContact O-N 3.03Å; S274-L296 WeakPolarHBondContact CA-O 3.28Å
275L82.1Confident84.6Confident55 Ų5558.9 Ų58.929%0.28831%0.309SS..Hα-helixtrans-59.2-35.2175.5-173.564.5000110.3L278 L279 I292 L296L275-L278 PolarHBondContact O-N 3.39Å; L275-L279 HydrophobicContact CG-CD1 4.04Å; L275-L279 HydrophobicContact CG-CG 4.49Å; L275-L279 WeakPolarHBondContact O-CB 3.28Å; L275-L279 WeakPolarHBondContact O-CD1 3.32Å; L275-L279 VanDerWaalsContact O-CG 3.23Å; L275-L279 WeakPolarHBondContact O-CG 3.34Å; L275-L279 PolarHBondContact O-N 3.28Å; L275-I292 HydrophobicContact CB-CG2 4.2Å; L275-I292 HydrophobicContact CD2-CD1 3.6Å; L275-I292 HydrophobicContact CD2-CG2 4.14Å; L275-I292 HydrophobicContact CG-CD1 4.01Å; L275-I292 HydrophobicContact CG-CG2 4.29Å; L275-L296 HydrophobicContact CB-CB 4.42Å; L275-L296 PolarHBondContact N-O 3.38Å
276K83.6Confident84.1Confident84 Ų8457.6 Ų57.637%0.36531%0.305SS..Hα-helixtrans-54.7-52.2172.2-178.6166.9-175.81650112.1S274 T280 S289 I292S274-K276 PolarHBondContact O-N 2.87Å; K276-T280 PolarHBondContact O-N 3.45Å; K276-S289 VanDerWaalsContact CE-O 3.25Å; K276-S289 WeakPolarHBondContact CE-O 3.37Å; K276-S289 WeakPolarHBondContact CG-O 3.45Å; K276-S289 WeakPolarHBondContact O-CB 3.17Å; K276-I292 HydrophobicContact CB-CG2 4.46Å
277F83.3Confident83.9Confident46 Ų4663.5 Ų63.520%0.20231%0.314CS..Hα-helixtrans-64.6-45177.9177.8-92.1000111.8T270 D271 F272 S274 L279 T280 Q281T270-F277 HydrophobicContact CG2-CD2 3.81Å; T270-F277 HydrophobicContact CG2-CE2 4.07Å; D271-F277 VanDerWaalsContact O-CB 3.29Å; D271-F277 WeakPolarHBondContact O-CB 3.22Å; F272-F277 HydrophobicContact CB-CD1 4.23Å; F272-F277 HydrophobicContact CB-CE1 4.2Å; F272-F277 HydrophobicContact CD1-CD1 4.23Å; F272-F277 HydrophobicContact CD1-CD2 4.19Å; F272-F277 AromaticContact CD1-CE1 3.74Å; F272-F277 HydrophobicContact CD1-CE1 3.74Å; F272-F277 AromaticContact CD1-CE2 3.69Å; F272-F277 HydrophobicContact CD1-CE2 3.69Å; F272-F277 HydrophobicContact CD1-CG 4.44Å; F272-F277 AromaticContact CD1-CZ 3.47Å; F272-F277 HydrophobicContact CD1-CZ 3.47Å; F272-F277 VanDerWaalsContact CD1-CZ 3.47Å; F272-F277 HydrophobicContact CE1-CE2 4.01Å; F272-F277 HydrophobicContact CE1-CZ 4.04Å; F272-F277 HydrophobicContact CG-CE1 4.48Å; F272-F277 WeakPolarHBondContact O-CD1 3.45Å; S274-F277 PolarHBondContact O-N 2.87Å; S274-F277 VanDerWaalsContact O-N 3.08Å; S274-F277 WeakPolarHBondContact OG-CB 3.41Å; S274-F277 PolarHBondContact OG-N 2.98Å; F277-L279 PolarHBondContact O-N 3.48Å; F277-T280 PolarHBondContact O-N 3.36Å; F277-T280 VanDerWaalsContact O-N 3.09Å; F277-T280 PolarHBondContact O-OG1 3.31Å; F277-Q281 HydrophobicContact CD1-CG 4.37Å; F277-Q281 HydrophobicContact CE1-CG 3.84Å; F277-Q281 HydrophobicContact CZ-CG 4.15Å
278L82.4Confident83.6Confident51 Ų5161.6 Ų61.627%0.26731%0.31SS..Hα-helixtrans-62.3-35-177.2-67.4169.2000112.3S274 L275 Q281 L298S274-L278 WeakPolarHBondContact O-CG 3.23Å; S274-L278 PolarHBondContact O-N 3.03Å; L275-L278 PolarHBondContact O-N 3.39Å; L278-Q281 WeakPolarHBondContact O-CB 3.22Å; L278-Q281 PolarHBondContact O-N 3.35Å; L278-Q281 VanDerWaalsContact O-N 3.16Å; L278-L298 HydrophobicContact CD1-CB 4.34Å; L278-L298 HydrophobicContact CD1-CD1 3.24Å; L278-L298 HydrophobicContact CD1-CG 3.66Å
279L83.5Confident83.3Confident16 Ų1656.8 Ų56.88%0.08429%0.286CS..Hα-helixtrans-67.7-33.1176-72.7166.3000113.1L275 F277 Q281 V282 L285 S286 L288 I292L275-L279 HydrophobicContact CG-CD1 4.04Å; L275-L279 HydrophobicContact CG-CG 4.49Å; L275-L279 WeakPolarHBondContact O-CB 3.28Å; L275-L279 WeakPolarHBondContact O-CD1 3.32Å; L275-L279 VanDerWaalsContact O-CG 3.23Å; L275-L279 WeakPolarHBondContact O-CG 3.34Å; L275-L279 PolarHBondContact O-N 3.28Å; F277-L279 PolarHBondContact O-N 3.48Å; L279-Q281 PolarHBondContact O-N 3.31Å; L279-V282 PolarHBondContact O-N 2.63Å; L279-V282 VanDerWaalsContact O-N 3.09Å; L279-L285 HydrophobicContact CD2-CB 3.71Å; L279-L285 HydrophobicContact CD2-CD1 4.12Å; L279-S286 VanDerWaalsContact O-CA 3.3Å; L279-S286 WeakPolarHBondContact O-CA 3.36Å; L279-L288 HydrophobicContact CD1-CB 3.8Å; L279-L288 HydrophobicContact CD2-CB 4.38Å; L279-L288 HydrophobicContact CD2-CD1 4.34Å; L279-I292 HydrophobicContact CD1-CB 4.46Å; L279-I292 HydrophobicContact CD1-CD1 3.2Å; L279-I292 HydrophobicContact CD1-CG1 4.08Å
280T80.1Confident83.1Confident61 Ų6159.4 Ų59.437%0.37431%0.31SS..Hα-helixtrans-64.3-22.3174.367.90000112.1K276 F277 V282 S289K276-T280 PolarHBondContact O-N 3.45Å; F277-T280 PolarHBondContact O-N 3.36Å; F277-T280 VanDerWaalsContact O-N 3.09Å; F277-T280 PolarHBondContact O-OG1 3.31Å; T280-V282 VanDerWaalsContact C-N 3.35Å; T280-S289 WeakPolarHBondContact CG2-OG 3.21Å
281Q79Confident83.2Confident73 Ų7361.7 Ų61.734%0.34132%0.324SS..THydrogen-bonded Turntrans-79.5-17.5177.1-53.8-50.6-51.900113.3F277 L278 L279 P283F277-Q281 HydrophobicContact CD1-CG 4.37Å; F277-Q281 HydrophobicContact CE1-CG 3.84Å; F277-Q281 HydrophobicContact CZ-CG 4.15Å; L278-Q281 WeakPolarHBondContact O-CB 3.22Å; L278-Q281 PolarHBondContact O-N 3.35Å; L278-Q281 VanDerWaalsContact O-N 3.16Å; L279-Q281 PolarHBondContact O-N 3.31Å; Q281-P283 WeakPolarHBondContact O-CD 3.33Å
282V81.4Confident83.2Confident42 Ų4262.1 Ų62.126%0.25533%0.326SS..SBendtrans-102.6102.9-178.6-176.30000109.4L279 T280 Y284 L285 S286L279-V282 PolarHBondContact O-N 2.63Å; L279-V282 VanDerWaalsContact O-N 3.09Å; T280-V282 VanDerWaalsContact C-N 3.35Å; V282-Y284 VanDerWaalsContact C-N 3.31Å; V282-Y284 HydrophobicContact CG1-CD1 3.83Å; V282-Y284 HydrophobicContact CG1-CD2 4.22Å; V282-Y284 HydrophobicContact CG1-CE1 3.38Å; V282-Y284 HydrophobicContact CG1-CE2 3.81Å; V282-Y284 HydrophobicContact CG1-CG 4.21Å; V282-Y284 PolarHBondContact O-N 3.03Å; V282-Y284 VanDerWaalsContact O-N 3.13Å; V282-L285 HydrophobicContact CB-CB 4.18Å; V282-L285 HydrophobicContact CG1-CB 3.98Å; V282-L285 HydrophobicContact CG1-CD1 4Å; V282-L285 HydrophobicContact CG1-CG 3.91Å; V282-L285 CarbonylContact O-C 3.53Å; V282-L285 PolarHBondContact O-N 3.3Å; V282-S286 PolarHBondContact O-N 3.03Å
283P79.4Confident83.5Confident92 Ų9263.1 Ų63.160%0.59734%0.336SS*.G310 helixtrans-53.8-43.6-167.5-28.235.4000114.1Q281 L285 S286Q281-P283 WeakPolarHBondContact O-CD 3.33Å; P283-L285 VanDerWaalsContact C-N 3.33Å; P283-L285 PolarHBondContact O-N 3.14Å; P283-S286 WeakPolarHBondContact O-CB 3.44Å; P283-S286 PolarHBondContact O-N 3.47Å; P283-S286 PolarHBondContact O-OG 3.18Å
284Y85.6Confident83.5Confident177 Ų17766.5 Ų66.569%0.69436%0.36SS*.G310 helixtrans-77.6-13.2-177.960.1-90.7000114.4V282V282-Y284 VanDerWaalsContact C-N 3.31Å; V282-Y284 HydrophobicContact CG1-CD1 3.83Å; V282-Y284 HydrophobicContact CG1-CD2 4.22Å; V282-Y284 HydrophobicContact CG1-CE1 3.38Å; V282-Y284 HydrophobicContact CG1-CE2 3.81Å; V282-Y284 HydrophobicContact CG1-CG 4.21Å; V282-Y284 PolarHBondContact O-N 3.03Å; V282-Y284 VanDerWaalsContact O-N 3.13Å
285L85.8Confident83.4Confident59 Ų5972.6 Ų72.631%0.30939%0.385SS..G310 helixtrans-111.42.1175.2-59.3-179.7000113L279 V282 P283 W287 L288L279-L285 HydrophobicContact CD2-CB 3.71Å; L279-L285 HydrophobicContact CD2-CD1 4.12Å; V282-L285 HydrophobicContact CB-CB 4.18Å; V282-L285 HydrophobicContact CG1-CB 3.98Å; V282-L285 HydrophobicContact CG1-CD1 4Å; V282-L285 HydrophobicContact CG1-CG 3.91Å; V282-L285 CarbonylContact O-C 3.53Å; V282-L285 PolarHBondContact O-N 3.3Å; P283-L285 VanDerWaalsContact C-N 3.33Å; P283-L285 PolarHBondContact O-N 3.14Å; L285-W287 PolarHBondContact O-N 3.03Å; L285-W287 VanDerWaalsContact O-N 3.16Å; L285-L288 HydrophobicContact CB-CD1 4.3Å; L285-L288 HydrophobicContact CD2-CD1 4.13Å; L285-L288 WeakPolarHBondContact O-CB 3.47Å; L285-L288 PolarHBondContact O-N 3.34Å
286S84.1Confident83.5Confident48 Ų4873.5 Ų73.534%0.33639%0.39SS..G310 helixtrans-58.1-33.3-172.759.80000113.5L279 V282 P283 L288 S289L279-S286 VanDerWaalsContact O-CA 3.3Å; L279-S286 WeakPolarHBondContact O-CA 3.36Å; V282-S286 PolarHBondContact O-N 3.03Å; P283-S286 WeakPolarHBondContact O-CB 3.44Å; P283-S286 PolarHBondContact O-N 3.47Å; P283-S286 PolarHBondContact O-OG 3.18Å; S286-L288 PolarHBondContact O-N 3.42Å; S286-S289 VanDerWaalsContact O-CB 3.25Å; S286-S289 WeakPolarHBondContact O-CB 3.33Å; S286-S289 PolarHBondContact O-N 3.07Å; S286-S289 PolarHBondContact O-OG 2.6Å
287W86.6Confident83.6Confident170 Ų17074 Ų7464%0.64439%0.39SS*.G310 helixtrans-61.1-29.4176.972.1-90000113.2L285 S289 A290L285-W287 PolarHBondContact O-N 3.03Å; L285-W287 VanDerWaalsContact O-N 3.16Å; W287-S289 PolarHBondContact O-N 3.09Å; W287-A290 WeakPolarHBondContact O-CB 3.5Å; W287-A290 PolarHBondContact O-N 3.24Å
288L86.5Confident83.5Confident46 Ų4674.5 Ų74.524%0.24139%0.394CS..G310 helixtrans-65.1-25177-70.2171.2000111.9L279 L285 S286 A290 V291 I292L279-L288 HydrophobicContact CD1-CB 3.8Å; L279-L288 HydrophobicContact CD2-CB 4.38Å; L279-L288 HydrophobicContact CD2-CD1 4.34Å; L285-L288 HydrophobicContact CB-CD1 4.3Å; L285-L288 HydrophobicContact CD2-CD1 4.13Å; L285-L288 WeakPolarHBondContact O-CB 3.47Å; L285-L288 PolarHBondContact O-N 3.34Å; S286-L288 PolarHBondContact O-N 3.42Å; L288-A290 PolarHBondContact O-N 3.49Å; L288-A290 VanDerWaalsContact O-N 3.16Å; L288-V291 HydrophobicContact CD2-CG2 4.32Å; L288-V291 VanDerWaalsContact O-CG2 3.27Å; L288-V291 WeakPolarHBondContact O-CG2 3.48Å; L288-V291 PolarHBondContact O-N 2.91Å; L288-V291 VanDerWaalsContact O-N 3.11Å; L288-I292 WeakPolarHBondContact O-CG1 2.91Å; L288-I292 PolarHBondContact O-N 2.94Å
289S83.7Confident83.6Confident20 Ų2075 Ų7514%0.1440%0.401CS..G310 helixtrans-61.6-23.7177.273.20000113.3K276 T280 S286 W287K276-S289 VanDerWaalsContact CE-O 3.25Å; K276-S289 WeakPolarHBondContact CE-O 3.37Å; K276-S289 WeakPolarHBondContact CG-O 3.45Å; K276-S289 WeakPolarHBondContact O-CB 3.17Å; T280-S289 WeakPolarHBondContact CG2-OG 3.21Å; S286-S289 VanDerWaalsContact O-CB 3.25Å; S286-S289 WeakPolarHBondContact O-CB 3.33Å; S286-S289 PolarHBondContact O-N 3.07Å; S286-S289 PolarHBondContact O-OG 2.6Å; W287-S289 PolarHBondContact O-N 3.09Å
290A85.1Confident83.4Confident82 Ų8280.3 Ų80.368%0.67842%0.419SS*.G310 helixtrans-71.7-30.9177.600000112.6W287 L288W287-A290 WeakPolarHBondContact O-CB 3.5Å; W287-A290 PolarHBondContact O-N 3.24Å; L288-A290 PolarHBondContact O-N 3.49Å; L288-A290 VanDerWaalsContact O-N 3.16Å
291V87.8Confident83.4Confident102 Ų10283.6 Ų83.662%0.61843%0.429SS*.THydrogen-bonded Turntrans-104.1-16.5-175-62.60000113.3L288L288-V291 HydrophobicContact CD2-CG2 4.32Å; L288-V291 VanDerWaalsContact O-CG2 3.27Å; L288-V291 WeakPolarHBondContact O-CG2 3.48Å; L288-V291 PolarHBondContact O-N 2.91Å; L288-V291 VanDerWaalsContact O-N 3.11Å
292I85.7Confident83.6Confident31 Ų3182.4 Ų82.416%0.15943%0.426CS..SBendtrans-79.4127.7179.6-71.1-164.6000111.4L275 K276 L279 L288 L296L275-I292 HydrophobicContact CB-CG2 4.2Å; L275-I292 HydrophobicContact CD2-CD1 3.6Å; L275-I292 HydrophobicContact CD2-CG2 4.14Å; L275-I292 HydrophobicContact CG-CD1 4.01Å; L275-I292 HydrophobicContact CG-CG2 4.29Å; K276-I292 HydrophobicContact CB-CG2 4.46Å; L279-I292 HydrophobicContact CD1-CB 4.46Å; L279-I292 HydrophobicContact CD1-CD1 3.2Å; L279-I292 HydrophobicContact CD1-CG1 4.08Å; L288-I292 WeakPolarHBondContact O-CG1 2.91Å; L288-I292 PolarHBondContact O-N 2.94Å; I292-L296 HydrophobicContact CG2-CB 4.42Å; I292-L296 HydrophobicContact CG2-CD1 4.29Å
293P85.4Confident83.5Confident54 Ų5482.4 Ų82.435%0.35143%0.425SS..  trans-59.2137.9174.6-21.930.4000112.8F295 L296P293-F295 HydrophobicContact CB-CD1 3.54Å; P293-F295 HydrophobicContact CB-CE1 3.21Å; P293-F295 HydrophobicContact CB-CE2 4.33Å; P293-F295 HydrophobicContact CB-CG 4.25Å; P293-F295 HydrophobicContact CB-CZ 3.64Å; P293-F295 HydrophobicContact CG-CE1 3.94Å; P293-F295 HydrophobicContact CG-CZ 4.01Å; P293-F295 PolarHBondContact O-N 3.3Å; P293-F295 VanDerWaalsContact O-N 3.14Å; P293-L296 HydrophobicContact CB-CG 4.48Å; P293-L296 HydrophobicContact CG-CD1 4.34Å; P293-L296 PolarHBondContact O-N 2.88Å
294S78.6Confident83.4Confident79 Ų7982.1 Ų82.155%0.55242%0.422SS*.THydrogen-bonded Turntrans-66.1-15.3-178.853.20000114.4
295F81.3Confident83.3Confident136 Ų13679.8 Ų79.860%0.59642%0.42SS*.THydrogen-bonded Turntrans-82.2-15.617865.6-102.1000113.6P293P293-F295 HydrophobicContact CB-CD1 3.54Å; P293-F295 HydrophobicContact CB-CE1 3.21Å; P293-F295 HydrophobicContact CB-CE2 4.33Å; P293-F295 HydrophobicContact CB-CG 4.25Å; P293-F295 HydrophobicContact CB-CZ 3.64Å; P293-F295 HydrophobicContact CG-CE1 3.94Å; P293-F295 HydrophobicContact CG-CZ 4.01Å; P293-F295 PolarHBondContact O-N 3.3Å; P293-F295 VanDerWaalsContact O-N 3.14Å
296L84.8Confident83.1Confident74 Ų7480.8 Ų80.839%0.38744%0.437SS..  trans-76.3127.2177.4-68.9-179.8000110.4S274 L275 I292 P293S274-L296 WeakPolarHBondContact CA-O 3.28Å; L275-L296 HydrophobicContact CB-CB 4.42Å; L275-L296 PolarHBondContact N-O 3.38Å; I292-L296 HydrophobicContact CG2-CB 4.42Å; I292-L296 HydrophobicContact CG2-CD1 4.29Å; P293-L296 HydrophobicContact CB-CG 4.48Å; P293-L296 HydrophobicContact CG-CD1 4.34Å; P293-L296 PolarHBondContact O-N 2.88Å
297R84.9Confident82.9Confident96 Ų9680.8 Ų80.836%0.36243%0.433SS..BIsolated β-bridgetrans-129.2151.3-176.6-64176.7-169.997.720110.3R257 D271 P299R257-R297 VanDerWaalsContact NH2-NE 3.12Å; D271-R297 IonicContact OD2-CZ 3.67Å; D271-R297 IonicContact OD2-NE 3.19Å; D271-R297 PolarHBondContact OD2-NE 3.12Å; D271-R297 IonicContact OD2-NH2 3.65Å; R297-P299 WeakPolarHBondContact O-CD 3.41Å
298L82.8Confident82.4Confident56 Ų5674.7 Ų74.729%0.29342%0.424SS..  trans-65.1129.2164-79.8-177000109T273 L278 R300 V302 L303T273-L298 PolarHBondContact O-N 3.02Å; L278-L298 HydrophobicContact CD1-CB 4.34Å; L278-L298 HydrophobicContact CD1-CD1 3.24Å; L278-L298 HydrophobicContact CD1-CG 3.66Å; L298-R300 PolarHBondContact O-N 3.11Å; L298-V302 HydrophobicContact CD2-CG1 4.29Å; L298-L303 HydrophobicContact CD1-CD2 4.42Å
299P83.1Confident81.8Confident62 Ų6283.2 Ų83.240%0.40345%0.452SS..  trans-55.6134.6169-21.531.6000109.6R297 F301 V302R297-P299 WeakPolarHBondContact O-CD 3.41Å; P299-F301 HydrophobicContact CB-CD1 3.53Å; P299-F301 HydrophobicContact CB-CE1 3.2Å; P299-F301 HydrophobicContact CB-CG 4.38Å; P299-F301 HydrophobicContact CB-CZ 3.81Å; P299-F301 HydrophobicContact CG-CE1 3.95Å; P299-F301 HydrophobicContact CG-CZ 4.19Å; P299-F301 PolarHBondContact O-N 3.45Å; P299-F301 VanDerWaalsContact O-N 3.12Å; P299-V302 HydrophobicContact CB-CG2 4.1Å; P299-V302 HydrophobicContact CG-CG2 4.2Å; P299-V302 WeakPolarHBondContact O-CA 3.09Å; P299-V302 WeakPolarHBondContact O-CB 3.48Å; P299-V302 PolarHBondContact O-N 2.77Å
300R79.1Confident81Confident126 Ų12695.3 Ų95.348%0.47550%0.503SS..Hα-helixtrans-58.8-32.3-173.1-65.7-177-175.5155.71.3113.4D254 L298 V302 L303 T304D254-R300 VanDerWaalsContact CG-NH2 3.29Å; D254-R300 IonicContact OD1-NH2 3.47Å; D254-R300 IonicContact OD2-CZ 3.53Å; D254-R300 VanDerWaalsContact OD2-CZ 3.3Å; D254-R300 IonicContact OD2-NE 2.88Å; D254-R300 PolarHBondContact OD2-NE 3.06Å; D254-R300 IonicContact OD2-NH2 2.82Å; D254-R300 PolarHBondContact OD2-NH2 2.83Å; L298-R300 PolarHBondContact O-N 3.11Å; R300-V302 PolarHBondContact O-N 2.56Å; R300-L303 WeakPolarHBondContact O-CB 3.43Å; R300-L303 PolarHBondContact O-N 3.22Å; R300-T304 PolarHBondContact O-N 3.47Å; R300-T304 PolarHBondContact O-OG1 3.09Å
301F80.4Confident80.8Confident131 Ų13196 Ų9658%0.57549%0.494SS*.Hα-helixtrans-60.6-26.4175.772.7-101.3000112P299 T304 L305P299-F301 HydrophobicContact CB-CD1 3.53Å; P299-F301 HydrophobicContact CB-CE1 3.2Å; P299-F301 HydrophobicContact CB-CG 4.38Å; P299-F301 HydrophobicContact CB-CZ 3.81Å; P299-F301 HydrophobicContact CG-CE1 3.95Å; P299-F301 HydrophobicContact CG-CZ 4.19Å; P299-F301 PolarHBondContact O-N 3.45Å; P299-F301 VanDerWaalsContact O-N 3.12Å; F301-T304 PolarHBondContact O-N 3.17Å; F301-L305 HydrophobicContact CD2-CD1 3.72Å; F301-L305 HydrophobicContact CE2-CD1 4.17Å; F301-L305 WeakPolarHBondContact O-CB 3.22Å; F301-L305 VanDerWaalsContact O-CG 3.26Å; F301-L305 WeakPolarHBondContact O-CG 3.48Å; F301-L305 PolarHBondContact O-N 3.01Å
302V83.4Confident80.5Confident48 Ų4895.7 Ų95.729%0.29149%0.488SS..Hα-helixtrans-67.1-39.4174.6179.90000110.9L298 P299 R300 T304 L305 A306L298-V302 HydrophobicContact CD2-CG1 4.29Å; P299-V302 HydrophobicContact CB-CG2 4.1Å; P299-V302 HydrophobicContact CG-CG2 4.2Å; P299-V302 WeakPolarHBondContact O-CA 3.09Å; P299-V302 WeakPolarHBondContact O-CB 3.48Å; P299-V302 PolarHBondContact O-N 2.77Å; R300-V302 PolarHBondContact O-N 2.56Å; V302-T304 VanDerWaalsContact C-N 3.29Å; V302-T304 PolarHBondContact O-N 3.21Å; V302-L305 PolarHBondContact O-N 2.92Å; V302-A306 VanDerWaalsContact O-CB 3.27Å; V302-A306 WeakPolarHBondContact O-CB 3.44Å; V302-A306 PolarHBondContact O-N 3.21Å
303L78.8Confident80.2Confident41 Ų4199.3 Ų99.322%0.21551%0.506CS..Hα-helixtrans-62.1-40.9174.7-61.9173.1000110.8L153 T273 L298 R300 N307L153-L303 HydrophobicContact CD2-CB 4.04Å; T273-L303 HydrophobicContact CG2-CD1 4.32Å; L298-L303 HydrophobicContact CD1-CD2 4.42Å; R300-L303 WeakPolarHBondContact O-CB 3.43Å; R300-L303 PolarHBondContact O-N 3.22Å; L303-N307 PolarHBondContact O-N 3.25Å; L303-N307 PolarHBondContact O-ND2 3.47Å
304T78.1Confident79.9Confident87 Ų87101.9 Ų101.953%0.53452%0.515SS..Hα-helixtrans-66.8-46.5176-48.40000111.9R300 F301 V302 N307 G308R300-T304 PolarHBondContact O-N 3.47Å; R300-T304 PolarHBondContact O-OG1 3.09Å; F301-T304 PolarHBondContact O-N 3.17Å; V302-T304 VanDerWaalsContact C-N 3.29Å; V302-T304 PolarHBondContact O-N 3.21Å; T304-N307 CarbonylContact O-C 3.39Å; T304-N307 PolarHBondContact O-N 3.21Å; T304-G308 WeakPolarHBondContact O-CA 3.42Å; T304-G308 PolarHBondContact O-N 2.78Å
305L83.4Confident79.9Confident127 Ų127103.4 Ų103.467%0.66551%0.513SS*.Hα-helixtrans-63.4-43179.3-74.7174.3000112.1F301 V302 N307 G308F301-L305 HydrophobicContact CD2-CD1 3.72Å; F301-L305 HydrophobicContact CE2-CD1 4.17Å; F301-L305 WeakPolarHBondContact O-CB 3.22Å; F301-L305 VanDerWaalsContact O-CG 3.26Å; F301-L305 WeakPolarHBondContact O-CG 3.48Å; F301-L305 PolarHBondContact O-N 3.01Å; V302-L305 PolarHBondContact O-N 2.92Å; L305-N307 PolarHBondContact O-N 3.45Å; L305-N307 VanDerWaalsContact O-N 3.16Å; L305-G308 PolarHBondContact O-N 2.89Å; L305-G308 VanDerWaalsContact O-N 3.16Å
306A80.8Confident79.8Confident80 Ų80101.2 Ų101.266%0.66151%0.507SS*.Hα-helixtrans-62.1-24.3-179.800000113.2V302V302-A306 VanDerWaalsContact O-CB 3.27Å; V302-A306 WeakPolarHBondContact O-CB 3.44Å; V302-A306 PolarHBondContact O-N 3.21Å
307N79.5Confident79.5Confident48 Ų48103.1 Ų103.126%0.25752%0.516SS..THydrogen-bonded Turntrans-114.66.8-179.7-62.9-74000112.8L153 H154 L303 T304 L305L153-N307 HydrophobicContact CD1-CB 3.84Å; L153-N307 HydrophobicContact CG-CB 3.78Å; L153-N307 WeakPolarHBondContact O-CB 3.13Å; H154-N307 WeakPolarHBondContact CB-OD1 3.32Å; L303-N307 PolarHBondContact O-N 3.25Å; L303-N307 PolarHBondContact O-ND2 3.47Å; T304-N307 CarbonylContact O-C 3.39Å; T304-N307 PolarHBondContact O-N 3.21Å; L305-N307 PolarHBondContact O-N 3.45Å; L305-N307 VanDerWaalsContact O-N 3.16Å
308G76.8Confident79.1Confident43 Ų43103.7 Ų103.744%0.44353%0.528SS..  trans-60.5136.9176.200000110.1T304 L305T304-G308 WeakPolarHBondContact O-CA 3.42Å; T304-G308 PolarHBondContact O-N 2.78Å; L305-G308 PolarHBondContact O-N 2.89Å; L305-G308 VanDerWaalsContact O-N 3.16Å
309R75.2Confident78.8Confident224 Ų224107.7 Ų107.785%0.84555%0.547SS*.  trans-107.64.7172.8-58.4-60.9-174.1177.2-0.3112.2
310F66.4Low78.4Confident275 Ų275111.8 Ų111.8100%1.20656%0.561SS**  trans-121.40177.3-68.1-78.4000109.2

Retrieved 310 of 310 residues in 222.1 ms (Link to these results)

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