A0A096N5L6_PAPAN Loading...

tRNA pseudouridine synthase

AlphaFold DB , UniProt , Accession A0A096N5L6, Species PAPAN (Papio anubis, Olive baboon), Gene PUSL1, Length 303 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
1M38.4Very low54.8Low245 Ų245118.1 Ų118.1100%1.20771%0.711SS**  098.50-70.7-177.9-163.700108.1L3M1-L3 PolarHBondContact O-N 3.17Å
2G36.1Very low58.2Low76 Ų76108.3 Ų108.378%0.78465%0.652SS**  trans-75.9116.1176.100000109.5V4G2-V4 PolarHBondContact O-N 3.31Å
3L39.7Very low61.2Low176 Ų176103 Ų10392%0.92161%0.613SS**  trans-62.899.8167.9-88.3144.4000107.9M1 Q5M1-L3 PolarHBondContact O-N 3.17Å; L3-Q5 PolarHBondContact O-N 2.73Å
4V41.8Very low63.9Low134 Ų13495.7 Ų95.781%0.81257%0.57SS**  trans-61.4106.7163.8-178.90000105.7G2 A6G2-V4 PolarHBondContact O-N 3.31Å; V4-A6 PolarHBondContact O-N 2.74Å
5Q40.2Very low66.2Low183 Ų18389.3 Ų89.386%0.85553%0.532SS*.  trans-52.9111.5166.5-97.2177.7-23.300106.9L3 A7L3-Q5 PolarHBondContact O-N 2.73Å; Q5-A7 PolarHBondContact O-N 2.73Å
6A47Very low68.2Low81 Ų8183.8 Ų83.867%0.66950%0.498SS*.  trans-56.7111.6169.800000106.6V4 G8V4-A6 PolarHBondContact O-N 2.74Å; A6-G8 PolarHBondContact O-N 2.92Å
7A53.9Low70Confident78 Ų7878.9 Ų78.965%0.64547%0.469SS*.  trans-55.5106.3175.700000107.6Q5 S9Q5-A7 PolarHBondContact O-N 2.73Å; A7-S9 PolarHBondContact O-N 3.28Å
8G58.8Low71.6Confident56 Ų5674.5 Ų74.558%0.57744%0.443SS*.PPolyproline II helixtrans-55.4140.5-179.600000109.4A6 V10A6-G8 PolarHBondContact O-N 2.92Å; G8-V10 PolarHBondContact O-N 3.23Å
9S67.7Low73Confident37 Ų3773.9 Ų73.926%0.25944%0.435SS..PPolyproline II helixtrans-55.8117.5176.252.60000110.3A7 Q81 R82A7-S9 PolarHBondContact O-N 3.28Å; S9-Q81 PolarHBondContact OG-NE2 2.92Å; S9-R82 WeakPolarHBondContact CB-O 3.38Å
10V85.8Confident74.3Confident91 Ų9170.7 Ų70.755%0.55242%0.415SS*.PPolyproline II helixtrans-84.3125.2-179.1-178.90000109.6G8G8-V10 PolarHBondContact O-N 3.23Å
11R93Very high75.4Confident142 Ų14270.7 Ų70.754%0.53642%0.416SS..EExtended strand (participates in β ladder)trans-70.2130169.8-178.3177.6175.3163.64.2109.4D79 Q81R11-D79 HydrophobicContact CG-CB 4.15Å; R11-D79 IonicContact CZ-OD2 3.37Å; R11-D79 VanDerWaalsContact NE-CB 3.25Å; R11-D79 IonicContact NE-OD2 3.33Å; R11-D79 PolarHBondContact NE-OD2 3.45Å; R11-D79 IonicContact NH2-OD2 2.67Å; R11-D79 PolarHBondContact NH2-OD2 2.96Å; R11-Q81 HydrophobicContact CB-CB 4.36Å
12A95.7Very high78.2Confident1 Ų159 Ų591%0.00836%0.359CS..EExtended strand (participates in β ladder)trans-120.3124.5-175.400000110.8Y14 D79 V80 P88A12-Y14 HydrophobicContact CB-CD2 4.34Å; A12-Y14 HydrophobicContact CB-CE2 3.49Å; A12-Y14 VanDerWaalsContact CB-CE2 3.49Å; A12-Y14 WeakPolarHBondContact O-CD2 3.36Å; A12-D79 WeakPolarHBondContact O-CA 3.2Å; A12-V80 WeakPolarHBondContact CB-O 3.41Å; A12-V80 PolarHBondContact N-O 2.62Å; A12-V80 PolarHBondContact O-N 3.15Å; A12-P88 HydrophobicContact CB-CB 3.74Å; A12-P88 HydrophobicContact CB-CG 4Å
13R97.9Very high81Confident39 Ų3957.7 Ų57.715%0.14734%0.336CS..EExtended strand (participates in β ladder)trans-87137.4170.2-168.9162.4-77.2-178.21.5110.9H77 L78 D79 V115 S117 F119R13-H77 HydrophobicContact CG-CB 4.34Å; R13-H77 PolarHBondContact NE-CD2 3.23Å; R13-L78 WeakPolarHBondContact CA-O 3.45Å; R13-D79 VanDerWaalsContact CA-OD1 3.3Å; R13-D79 WeakPolarHBondContact CA-OD1 3.48Å; R13-D79 WeakPolarHBondContact CB-OD1 3.43Å; R13-D79 VanDerWaalsContact CG-OD1 3.26Å; R13-D79 WeakPolarHBondContact CG-OD1 3.33Å; R13-D79 IonicContact CZ-OD1 3.64Å; R13-D79 IonicContact CZ-OD2 3.62Å; R13-D79 IonicContact NE-OD1 2.81Å; R13-D79 PolarHBondContact NE-OD1 3.23Å; R13-D79 IonicContact NE-OD2 3.53Å; R13-D79 IonicContact NH2-OD1 3.57Å; R13-D79 IonicContact NH2-OD2 2.83Å; R13-D79 PolarHBondContact NH2-OD2 2.87Å; R13-V115 HydrophobicContact CB-CG2 4Å; R13-V115 HydrophobicContact CG-CG2 3.56Å; R13-V115 PolarHBondContact O-N 3.25Å; R13-S117 PolarHBondContact NH1-O 3.29Å; R13-F119 VanDerWaalsContact CD-O 3.31Å; R13-F119 WeakPolarHBondContact CD-O 3.26Å; R13-F119 PolarHBondContact NH1-O 3.44Å
14Y98.3Very high83.5Confident1 Ų155.4 Ų55.40%0.00432%0.324CS..EExtended strand (participates in β ladder)trans-125142.8173.9-62-98.7000110.2A12 H77 L78 V80 P88 F89 L94 F113 R114A12-Y14 HydrophobicContact CB-CD2 4.34Å; A12-Y14 HydrophobicContact CB-CE2 3.49Å; A12-Y14 VanDerWaalsContact CB-CE2 3.49Å; A12-Y14 WeakPolarHBondContact O-CD2 3.36Å; Y14-H77 CarbonylContact O-C 3.49Å; Y14-H77 WeakPolarHBondContact O-CA 3.43Å; Y14-H77 WeakPolarHBondContact O-CB 3.34Å; Y14-L78 PolarHBondContact N-O 3.5Å; Y14-L78 PolarHBondContact O-N 3.24Å; Y14-V80 HydrophobicContact CD2-CB 4.44Å; Y14-V80 HydrophobicContact CD2-CG2 4.35Å; Y14-V80 HydrophobicContact CE2-CB 4.11Å; Y14-V80 HydrophobicContact CE2-CG2 4.42Å; Y14-P88 WeakPolarHBondContact OH-CB 3.24Å; Y14-F89 WeakPolarHBondContact CE1-O 3.38Å; Y14-F89 WeakPolarHBondContact OH-CA 3.33Å; Y14-F89 PolarHBondContact OH-N 3.19Å; Y14-F89 PolarHBondContact OH-O 3.4Å; Y14-L94 HydrophobicContact CD1-CD2 3.42Å; Y14-L94 VanDerWaalsContact CD1-CD2 3.42Å; Y14-L94 HydrophobicContact CD2-CD2 3.79Å; Y14-L94 HydrophobicContact CE1-CD2 3.92Å; Y14-L94 HydrophobicContact CE2-CD2 4.29Å; Y14-L94 HydrophobicContact CG-CD2 3.33Å; Y14-F113 CarbonylContact C-O 3.57Å; Y14-F113 WeakPolarHBondContact CA-O 3.43Å; Y14-R114 HydrophobicContact CD1-CG 4.07Å; Y14-R114 VanDerWaalsContact CE1-CD 3.43Å; Y14-R114 HydrophobicContact CE1-CG 3.71Å
15L98.6Very high86Confident0 Ų049.4 Ų49.40%029%0.287CS..EExtended strand (participates in β ladder)trans-96.4130159.817268.9000107.5Y17 A75 A76 A112 F113 V115 F119 A121 Y284 L287L15-Y17 HydrophobicContact CD2-CE2 3.74Å; L15-Y17 HydrophobicContact CG-CE2 4.21Å; L15-A75 HydrophobicContact CD1-CB 3.98Å; L15-A76 CarbonylContact C-O 3.6Å; L15-A76 WeakPolarHBondContact CA-O 3.5Å; L15-A76 WeakPolarHBondContact CD1-O 3.5Å; L15-A112 CarbonylContact O-C 3.55Å; L15-A112 WeakPolarHBondContact O-CA 3.32Å; L15-F113 HydrophobicContact CD2-CD2 4.5Å; L15-F113 PolarHBondContact N-O 3.33Å; L15-F113 PolarHBondContact O-N 2.88Å; L15-V115 HydrophobicContact CB-CG1 3.72Å; L15-V115 HydrophobicContact CB-CG2 4.43Å; L15-F119 HydrophobicContact CB-CE1 4.19Å; L15-F119 HydrophobicContact CD1-CE1 3.88Å; L15-F119 HydrophobicContact CD1-CZ 4.1Å; L15-F119 HydrophobicContact CD2-CE1 4.44Å; L15-F119 HydrophobicContact CD2-CZ 4.03Å; L15-F119 HydrophobicContact CG-CE1 4.4Å; L15-F119 HydrophobicContact CG-CZ 4.46Å; L15-A121 HydrophobicContact CD1-CB 4.26Å; L15-Y284 HydrophobicContact CD1-CE2 3.93Å; L15-Y284 HydrophobicContact CD2-CD2 3.76Å; L15-Y284 HydrophobicContact CD2-CE2 3.74Å; L15-Y284 HydrophobicContact CG-CE2 4.48Å; L15-L287 HydrophobicContact CD2-CD1 3.24Å
16V98.6Very high88.6Confident0 Ų044 Ų440%026%0.264CS..EExtended strand (participates in β ladder)trans-117.1141.8172-660000110.2F59 A75 A76 L78 L94 L98 V109 R111 A112V16-F59 HydrophobicContact CG2-CD1 4.28Å; V16-F59 HydrophobicContact CG2-CE1 3.67Å; V16-A75 CarbonylContact O-C 3.51Å; V16-A75 VanDerWaalsContact O-CA 3.24Å; V16-A75 WeakPolarHBondContact O-CA 3.41Å; V16-A76 HydrophobicContact CG2-CB 4.25Å; V16-A76 WeakPolarHBondContact CG2-O 3.44Å; V16-A76 PolarHBondContact N-O 3.16Å; V16-A76 PolarHBondContact O-N 3.4Å; V16-L78 HydrophobicContact CB-CD2 4.32Å; V16-L78 HydrophobicContact CG1-CD2 3.57Å; V16-L78 HydrophobicContact CG2-CD2 3.83Å; V16-L94 HydrophobicContact CG1-CD2 4.36Å; V16-L98 HydrophobicContact CG1-CD1 4.18Å; V16-V109 HydrophobicContact CB-CG1 4.29Å; V16-V109 HydrophobicContact CG1-CG1 4.46Å; V16-R111 WeakPolarHBondContact CA-O 3.44Å; V16-A112 HydrophobicContact CG1-CB 3.71Å
17Y98.7Very high90.9Very high1 Ų140.3 Ų40.30%0.00423%0.234CC..EExtended strand (participates in β ladder)trans-102.5140.8166.7-75.1-90.3000109.2L15 S73 N74 A75 V109 L110 R111 F113 V282 Y284L15-Y17 HydrophobicContact CD2-CE2 3.74Å; L15-Y17 HydrophobicContact CG-CE2 4.21Å; Y17-S73 VanDerWaalsContact CD1-OG 3.3Å; Y17-S73 WeakPolarHBondContact CD1-OG 3.49Å; Y17-N74 CarbonylContact C-O 3.57Å; Y17-N74 VanDerWaalsContact CA-O 3.27Å; Y17-N74 WeakPolarHBondContact CA-O 3.23Å; Y17-A75 HydrophobicContact CD1-CB 3.95Å; Y17-A75 HydrophobicContact CE1-CB 3.92Å; Y17-V109 CarbonylContact O-C 3.54Å; Y17-L110 PolarHBondContact O-N 3.5Å; Y17-R111 HydrophobicContact CD2-CG 4.04Å; Y17-R111 HydrophobicContact CG-CG 4.37Å; Y17-R111 PolarHBondContact N-O 3.41Å; Y17-F113 HydrophobicContact CD2-CD2 4.21Å; Y17-F113 AromaticContact CD2-CE2 3.82Å; Y17-F113 HydrophobicContact CD2-CE2 3.82Å; Y17-F113 HydrophobicContact CE2-CD2 4.15Å; Y17-F113 AromaticContact CE2-CE2 3.79Å; Y17-F113 HydrophobicContact CE2-CE2 3.79Å; Y17-V282 HydrophobicContact CE1-CB 4.45Å; Y17-V282 WeakPolarHBondContact CE1-O 3.5Å; Y17-V282 PolarHBondContact OH-O 2.83Å; Y17-Y284 HydrophobicContact CE1-CE2 4.48Å; Y17-Y284 WeakPolarHBondContact OH-CD2 3.36Å; Y17-Y284 WeakPolarHBondContact OH-CE2 3.3Å
18F98.8Very high92.9Very high0 Ų036.6 Ų36.60%020%0.204CC..EExtended strand (participates in β ladder)trans-149.1153.3-177.662.9-82000111.2Y20 V28 V40 L44 I61 N74 A76 R108 V109F18-Y20 AromaticContact CD2-CD1 3.79Å; F18-Y20 HydrophobicContact CD2-CD1 3.79Å; F18-Y20 AromaticContact CD2-CE1 3.99Å; F18-Y20 HydrophobicContact CD2-CE1 3.99Å; F18-Y20 AromaticContact CE2-CD1 3.77Å; F18-Y20 HydrophobicContact CE2-CD1 3.77Å; F18-Y20 AromaticContact CE2-CE1 3.52Å; F18-Y20 HydrophobicContact CE2-CE1 3.52Å; F18-V28 HydrophobicContact CE2-CG2 3.95Å; F18-V28 HydrophobicContact CZ-CG2 4.01Å; F18-V40 HydrophobicContact CD2-CG1 4.29Å; F18-V40 HydrophobicContact CE2-CG1 3.97Å; F18-L44 HydrophobicContact CD1-CD1 4.38Å; F18-L44 HydrophobicContact CD2-CD1 3.93Å; F18-L44 HydrophobicContact CE1-CD1 4.29Å; F18-L44 HydrophobicContact CE2-CD1 3.82Å; F18-L44 HydrophobicContact CG-CD1 4.22Å; F18-L44 HydrophobicContact CZ-CD1 4.03Å; F18-I61 HydrophobicContact CE1-CD1 4.43Å; F18-I61 HydrophobicContact CZ-CD1 4.01Å; F18-N74 HydrophobicContact CD1-CB 4.48Å; F18-N74 HydrophobicContact CD2-CB 4.32Å; F18-N74 HydrophobicContact CE1-CB 3.99Å; F18-N74 HydrophobicContact CE2-CB 3.82Å; F18-N74 HydrophobicContact CZ-CB 3.63Å; F18-N74 PolarHBondContact N-O 3.15Å; F18-N74 PolarHBondContact O-N 3.47Å; F18-A76 HydrophobicContact CE1-CB 3.79Å; F18-R108 CarbonylContact C-O 3.58Å; F18-R108 WeakPolarHBondContact CA-O 3.18Å; F18-R108 WeakPolarHBondContact CB-O 3.41Å; F18-V109 HydrophobicContact CB-CG2 4.46Å
19Q98.6Very high94.6Very high63 Ų6335.6 Ų35.629%0.29419%0.19SC..EExtended strand (participates in β ladder)trans-119.4157.1177.967.2175.727.400110.4A71 L72 R108 L110Q19-A71 CarbonylContact C-O 3.6Å; Q19-A71 VanDerWaalsContact CA-O 3.26Å; Q19-A71 WeakPolarHBondContact CA-O 3.28Å; Q19-A71 WeakPolarHBondContact CB-O 3.43Å; Q19-L72 WeakPolarHBondContact CB-O 3.41Å; Q19-R108 HydrophobicContact CG-CB 3.97Å; Q19-R108 PolarHBondContact N-O 3.1Å; Q19-R108 PolarHBondContact O-N 3.29Å; Q19-L110 HydrophobicContact CB-CD1 4.35Å; Q19-L110 HydrophobicContact CB-CD2 4.39Å; Q19-L110 HydrophobicContact CB-CG 4.48Å; Q19-L110 HydrophobicContact CG-CD2 3.89Å; Q19-L110 HydrophobicContact CG-CG 4.4Å
20Y98.6Very high95.6Very high9 Ų935.7 Ų35.74%0.03519%0.193CC..EExtended strand (participates in β ladder)trans-159.9151.8172.153.5-86.9000114F18 V28 V40 T65 V69 A71 N74 A106F18-Y20 AromaticContact CD2-CD1 3.79Å; F18-Y20 HydrophobicContact CD2-CD1 3.79Å; F18-Y20 AromaticContact CD2-CE1 3.99Å; F18-Y20 HydrophobicContact CD2-CE1 3.99Å; F18-Y20 AromaticContact CE2-CD1 3.77Å; F18-Y20 HydrophobicContact CE2-CD1 3.77Å; F18-Y20 AromaticContact CE2-CE1 3.52Å; F18-Y20 HydrophobicContact CE2-CE1 3.52Å; Y20-V28 HydrophobicContact CE1-CG2 4.03Å; Y20-V40 HydrophobicContact CD1-CG1 3.85Å; Y20-V40 HydrophobicContact CD1-CG2 4.2Å; Y20-V40 HydrophobicContact CD2-CG2 3.73Å; Y20-V40 HydrophobicContact CE1-CG1 4.3Å; Y20-V40 HydrophobicContact CE1-CG2 4.48Å; Y20-V40 HydrophobicContact CE2-CG2 4.02Å; Y20-V40 HydrophobicContact CG-CG1 4.14Å; Y20-V40 HydrophobicContact CG-CG2 3.83Å; Y20-T65 WeakPolarHBondContact OH-CG2 3.33Å; Y20-T65 PolarHBondContact OH-OG1 2.95Å; Y20-V69 VanDerWaalsContact CE2-O 3.32Å; Y20-V69 WeakPolarHBondContact CE2-O 3.46Å; Y20-A71 HydrophobicContact CD1-CB 3.87Å; Y20-A71 HydrophobicContact CE1-CB 3.33Å; Y20-A71 HydrophobicContact CE2-CB 4.1Å; Y20-A71 HydrophobicContact CG-CB 4.44Å; Y20-A71 VanDerWaalsContact CZ-CB 3.45Å; Y20-A71 PolarHBondContact N-O 3.26Å; Y20-A71 PolarHBondContact O-N 3.28Å; Y20-N74 HydrophobicContact CE1-CB 4.04Å; Y20-N74 PolarHBondContact OH-ND2 3.25Å; Y20-A106 CarbonylContact C-O 3.48Å; Y20-A106 WeakPolarHBondContact CA-O 3.46Å; Y20-A106 VanDerWaalsContact CB-O 3.24Å; Y20-A106 WeakPolarHBondContact CB-O 3.36Å
21V98Very high95.6Very high71 Ų7133 Ų3343%0.4318%0.176SC..  trans-86.4116164.6178.70000108.1T23 F25 H70 A106V21-T23 PolarHBondContact O-N 2.95Å; V21-F25 WeakPolarHBondContact O-CD2 3.5Å; V21-F25 WeakPolarHBondContact O-CE2 3.24Å; V21-H70 WeakPolarHBondContact CA-ND1 3.34Å; V21-A106 HydrophobicContact CB-CB 4.23Å; V21-A106 PolarHBondContact N-O 3.1Å; V21-A106 VanDerWaalsContact N-O 3.1Å
22G97Very high94.6Very high1 Ų137.4 Ų37.41%0.0119%0.193CC..  trans-79.5-12.5-167.600000116.6D24 F25 G68 V69 H70G22-D24 VanDerWaalsContact C-N 3.31Å; G22-D24 PolarHBondContact O-N 3.01Å; G22-F25 PolarHBondContact O-N 3.08Å; G22-F25 VanDerWaalsContact O-N 3.08Å; G22-G68 VanDerWaalsContact O-CA 3.22Å; G22-G68 WeakPolarHBondContact O-CA 3.48Å; G22-G68 PolarHBondContact O-N 3.37Å; G22-V69 WeakPolarHBondContact CA-O 3.4Å; G22-H70 PolarHBondContact N-ND1 2.9Å
23T94.4Very high93.1Very high47 Ų4740.8 Ų40.829%0.28823%0.228SC..THydrogen-bonded Turntrans-54.5-41.7-163.1-49.30000113.7V21 H70 N150V21-T23 PolarHBondContact O-N 2.95Å; T23-H70 PolarHBondContact OG1-CE1 3.41Å; T23-N150 HydrophobicContact CG2-CB 4.06Å
24D92.8Very high91.1Very high128 Ų12846.3 Ų46.368%0.68427%0.266SS*.THydrogen-bonded Turntrans-99.37.3-175.1-58.3-41.3000113.7G22G22-D24 VanDerWaalsContact C-N 3.31Å; G22-D24 PolarHBondContact O-N 3.01Å
25F94.8Very high89Confident8 Ų851.7 Ų51.74%0.03529%0.292CS..SBendtrans-104.8147.6179.9-61.7-65.9000112.1V21 G22 G27 V40 Y43 A67 G68 H104 A106 I107V21-F25 WeakPolarHBondContact O-CD2 3.5Å; V21-F25 WeakPolarHBondContact O-CE2 3.24Å; G22-F25 PolarHBondContact O-N 3.08Å; G22-F25 VanDerWaalsContact O-N 3.08Å; F25-G27 PolarHBondContact O-N 3.42Å; F25-V40 HydrophobicContact CB-CG2 4.12Å; F25-V40 HydrophobicContact CD1-CG2 4.12Å; F25-V40 HydrophobicContact CD2-CG2 3.65Å; F25-V40 HydrophobicContact CE1-CG2 4.46Å; F25-V40 HydrophobicContact CE2-CG2 4.01Å; F25-V40 HydrophobicContact CG-CG2 3.7Å; F25-V40 HydrophobicContact CZ-CG2 4.4Å; F25-Y43 HydrophobicContact CD1-CE2 4.36Å; F25-Y43 AromaticContact CE1-CD2 3.82Å; F25-Y43 HydrophobicContact CE1-CD2 3.82Å; F25-Y43 AromaticContact CE1-CE2 3.68Å; F25-Y43 HydrophobicContact CE1-CE2 3.68Å; F25-A67 WeakPolarHBondContact O-CA 3.47Å; F25-G68 PolarHBondContact O-N 3.4Å; F25-H104 AromaticContact CE1-NE2 3.99Å; F25-H104 AromaticContact CZ-CE1 3.46Å; F25-H104 VanDerWaalsContact CZ-CE1 3.46Å; F25-H104 WeakPolarHBondContact CZ-CE1 3.32Å; F25-H104 AromaticContact CZ-CG 3.85Å; F25-H104 AromaticContact CZ-ND1 3.44Å; F25-H104 WeakPolarHBondContact CZ-ND1 3.22Å; F25-H104 AromaticContact CZ-NE2 3.87Å; F25-A106 HydrophobicContact CE2-CB 4Å; F25-A106 HydrophobicContact CZ-CB 4.23Å; F25-I107 HydrophobicContact CE1-CD1 3.98Å; F25-I107 HydrophobicContact CE1-CG1 4.47Å; F25-I107 HydrophobicContact CE2-CD1 4.37Å; F25-I107 HydrophobicContact CE2-CG1 4.03Å; F25-I107 HydrophobicContact CZ-CD1 3.59Å; F25-I107 HydrophobicContact CZ-CG1 3.6Å
26N93.4Very high86.8Confident69 Ų6964.2 Ų64.237%0.36934%0.339SS..SBendtrans-78.733.4170.4-160.716.5000112.6V31 Q35 A37 I38N26-V31 HydrophobicContact CB-CG2 4.28Å; N26-Q35 PolarHBondContact ND2-OE1 2.97Å; N26-A37 HydrophobicContact CB-CB 3.89Å; N26-I38 PolarHBondContact N-O 2.97Å
27G95.1Very high85Confident4 Ų466 Ų664%0.04135%0.353CS..  trans91.6-176-173.100000112.7F25 G39 V40 T65 D66F25-G27 PolarHBondContact O-N 3.42Å; G27-G39 WeakPolarHBondContact O-CA 3.37Å; G27-V40 PolarHBondContact O-N 2.8Å; G27-T65 VanDerWaalsContact CA-O 3.26Å; G27-T65 WeakPolarHBondContact CA-O 3.42Å; G27-D66 WeakPolarHBondContact CA-O 3.42Å
28V96.8Very high84.5Confident0 Ų069.5 Ų69.50%037%0.372CS..SBendtrans-79.1-32.6-174.871.20000113F18 Y20 V40 Q41 I61 R64 T65F18-V28 HydrophobicContact CE2-CG2 3.95Å; F18-V28 HydrophobicContact CZ-CG2 4.01Å; Y20-V28 HydrophobicContact CE1-CG2 4.03Å; V28-V40 HydrophobicContact CB-CB 4.49Å; V28-V40 HydrophobicContact CG2-CB 4.03Å; V28-V40 HydrophobicContact CG2-CG1 4.35Å; V28-Q41 WeakPolarHBondContact O-CB 2.99Å; V28-Q41 PolarHBondContact O-N 3.28Å; V28-I61 HydrophobicContact CG1-CG2 3.97Å; V28-I61 HydrophobicContact CG2-CD1 4.42Å; V28-I61 HydrophobicContact CG2-CG1 4.42Å; V28-I61 HydrophobicContact CG2-CG2 4.02Å; V28-R64 HydrophobicContact CG1-CB 4.46Å; V28-T65 VanDerWaalsContact CG1-N 3.28Å; V28-T65 PolarHBondContact N-O 3.09Å
29A93.9Very high84.2Confident35 Ų3569.5 Ų69.529%0.28937%0.372SS..SBendtrans-70.3146.8-171.900000111.3V31A29-V31 PolarHBondContact O-N 2.76Å
30A89.5Confident84.1Confident39 Ų3966.5 Ų66.532%0.32236%0.358SS..PPolyproline II helixtrans-62.9133.817700000111.1Q41 N42A30-Q41 HydrophobicContact CB-CB 4.07Å; A30-Q41 HydrophobicContact CB-CG 3.91Å; A30-Q41 VanDerWaalsContact N-OE1 3.13Å; A30-N42 WeakPolarHBondContact CA-OD1 3.45Å
31V84.7Confident84Confident34 Ų3467.5 Ų67.521%0.20636%0.362CS..PPolyproline II helixtrans-103.2142173-1780000108.5N26 A29 Q35 N42N26-V31 HydrophobicContact CB-CG2 4.28Å; A29-V31 PolarHBondContact O-N 2.76Å; V31-Q35 HydrophobicContact CG1-CB 4.29Å; V31-Q35 HydrophobicContact CG1-CG 4.3Å; V31-Q35 VanDerWaalsContact CG1-OE1 3.25Å; V31-N42 PolarHBondContact N-OD1 2.9Å; V31-N42 PolarHBondContact O-ND2 3.36Å; V31-N42 VanDerWaalsContact O-ND2 3.1Å
32R72.2Confident83.9Confident235 Ų23566.3 Ų66.389%0.88735%0.354SS*.  trans-110.1140.3175.2-63.8-175180-175.20.1109.8
33G64.1Low83.9Confident72 Ų7268.6 Ų68.674%0.74236%0.362SS*.SBendtrans107.4-179.1176.400000114.4Q35G33-Q35 PolarHBondContact O-N 3.24Å
34T55.6Low84Confident155 Ų15566.4 Ų66.495%0.95135%0.349SS*.SBendtrans-78.833.9-177.152.10000113.4
35Q54.7Low84.2Confident114 Ų11461.1 Ų61.153%0.53332%0.32SS..  trans-71.7146.2178.8-69.3-164.8-6.700111.2N26 V31 G33 A37N26-Q35 PolarHBondContact ND2-OE1 2.97Å; V31-Q35 HydrophobicContact CG1-CB 4.29Å; V31-Q35 HydrophobicContact CG1-CG 4.3Å; V31-Q35 VanDerWaalsContact CG1-OE1 3.25Å; G33-Q35 PolarHBondContact O-N 3.24Å; Q35-A37 PolarHBondContact O-N 2.95Å
36R53.3Low84.2Confident264 Ų26464.1 Ų64.1100%0.99633%0.334SS*.SBendtrans-66.8-17.6-177.7-143.3176.2-176169.70.2113.7
37A61.1Low84.4Confident36 Ų3660.9 Ų60.930%0.29832%0.317SS..SBendtrans-126.6126.2-176.400000111.4N26 Q35N26-A37 HydrophobicContact CB-CB 3.89Å; Q35-A37 PolarHBondContact O-N 2.95Å
38I86.8Confident84.5Confident76 Ų7660.7 Ų60.739%0.3932%0.315SS..  trans-94.3149-175.5-62.6175.7000109.1N26 N42 Y43N26-I38 PolarHBondContact N-O 2.97Å; I38-N42 HydrophobicContact CG2-CB 3.41Å; I38-N42 VanDerWaalsContact CG2-CB 3.41Å; I38-Y43 HydrophobicContact CB-CE2 3.93Å; I38-Y43 HydrophobicContact CG2-CD2 3.9Å; I38-Y43 HydrophobicContact CG2-CE2 3.56Å
39G92.3Very high84.5Confident0 Ų067.2 Ų67.20%035%0.346CS..  trans-85.4153.3173.900000112.4G27 Q41 N42G27-G39 WeakPolarHBondContact O-CA 3.37Å; G39-Q41 PolarHBondContact O-N 2.86Å; G39-N42 WeakPolarHBondContact CA-OD1 3.37Å; G39-N42 PolarHBondContact N-OD1 3.11Å; G39-N42 WeakPolarHBondContact O-CB 3.3Å; G39-N42 PolarHBondContact O-N 2.93Å; G39-N42 PolarHBondContact O-OD1 2.74Å
40V96.9Very high84.6Confident0 Ų072 Ų720%036%0.356CS..Hα-helixtrans-55-39.7177.41770000111.7F18 Y20 F25 G27 V28 N42 Y43 L44 I107F18-V40 HydrophobicContact CD2-CG1 4.29Å; F18-V40 HydrophobicContact CE2-CG1 3.97Å; Y20-V40 HydrophobicContact CD1-CG1 3.85Å; Y20-V40 HydrophobicContact CD1-CG2 4.2Å; Y20-V40 HydrophobicContact CD2-CG2 3.73Å; Y20-V40 HydrophobicContact CE1-CG1 4.3Å; Y20-V40 HydrophobicContact CE1-CG2 4.48Å; Y20-V40 HydrophobicContact CE2-CG2 4.02Å; Y20-V40 HydrophobicContact CG-CG1 4.14Å; Y20-V40 HydrophobicContact CG-CG2 3.83Å; F25-V40 HydrophobicContact CB-CG2 4.12Å; F25-V40 HydrophobicContact CD1-CG2 4.12Å; F25-V40 HydrophobicContact CD2-CG2 3.65Å; F25-V40 HydrophobicContact CE1-CG2 4.46Å; F25-V40 HydrophobicContact CE2-CG2 4.01Å; F25-V40 HydrophobicContact CG-CG2 3.7Å; F25-V40 HydrophobicContact CZ-CG2 4.4Å; G27-V40 PolarHBondContact O-N 2.8Å; V28-V40 HydrophobicContact CB-CB 4.49Å; V28-V40 HydrophobicContact CG2-CB 4.03Å; V28-V40 HydrophobicContact CG2-CG1 4.35Å; V40-N42 VanDerWaalsContact C-N 3.27Å; V40-N42 PolarHBondContact O-N 3.01Å; V40-Y43 PolarHBondContact O-N 3.28Å; V40-L44 HydrophobicContact CG1-CD1 4.12Å; V40-L44 PolarHBondContact O-N 3.28Å; V40-I107 HydrophobicContact CB-CD1 4.35Å; V40-I107 HydrophobicContact CG1-CD1 3.82Å; V40-I107 HydrophobicContact CG1-CG1 4.08Å; V40-I107 HydrophobicContact CG1-CG2 4.09Å
41Q96.9Very high84.9Confident29 Ų2970.7 Ų70.714%0.13634%0.344CS..Hα-helixtrans-60.1-33.3177.7-179.7-179.6-11.800112.9V28 A30 G39 Y43 L44 E45 F59 I61V28-Q41 WeakPolarHBondContact O-CB 2.99Å; V28-Q41 PolarHBondContact O-N 3.28Å; A30-Q41 HydrophobicContact CB-CB 4.07Å; A30-Q41 HydrophobicContact CB-CG 3.91Å; A30-Q41 VanDerWaalsContact N-OE1 3.13Å; G39-Q41 PolarHBondContact O-N 2.86Å; Q41-Y43 VanDerWaalsContact C-N 3.35Å; Q41-Y43 PolarHBondContact O-N 2.97Å; Q41-L44 PolarHBondContact O-N 2.76Å; Q41-E45 HydrophobicContact CG-CG 4.28Å; Q41-E45 PolarHBondContact NE2-OE1 2.98Å; Q41-E45 WeakPolarHBondContact O-CB 3.46Å; Q41-E45 WeakPolarHBondContact O-CG 3.26Å; Q41-E45 PolarHBondContact O-N 3.12Å; Q41-F59 HydrophobicContact CG-CB 4.07Å; Q41-F59 PolarHBondContact NE2-O 3.41Å; Q41-I61 HydrophobicContact CB-CD1 4.24Å; Q41-I61 HydrophobicContact CB-CG1 4.4Å; Q41-I61 HydrophobicContact CG-CD1 4.22Å; Q41-I61 HydrophobicContact CG-CG1 4.4Å
42N95.1Very high85.4Confident46 Ų4673.9 Ų73.925%0.24636%0.36CS..Hα-helixtrans-61.9-44.2178-65.399.2000111A30 V31 I38 G39 V40 E45 E46A30-N42 WeakPolarHBondContact CA-OD1 3.45Å; V31-N42 PolarHBondContact N-OD1 2.9Å; V31-N42 PolarHBondContact O-ND2 3.36Å; V31-N42 VanDerWaalsContact O-ND2 3.1Å; I38-N42 HydrophobicContact CG2-CB 3.41Å; I38-N42 VanDerWaalsContact CG2-CB 3.41Å; G39-N42 WeakPolarHBondContact CA-OD1 3.37Å; G39-N42 PolarHBondContact N-OD1 3.11Å; G39-N42 WeakPolarHBondContact O-CB 3.3Å; G39-N42 PolarHBondContact O-N 2.93Å; G39-N42 PolarHBondContact O-OD1 2.74Å; V40-N42 VanDerWaalsContact C-N 3.27Å; V40-N42 PolarHBondContact O-N 3.01Å; N42-E45 PolarHBondContact O-N 2.89Å; N42-E46 PolarHBondContact O-N 3.25Å
43Y96.5Very high86.5Confident50 Ų5064 Ų6420%0.19633%0.326CS..Hα-helixtrans-67.9-37.4177.4-73.4-74.2000112.8F25 I38 V40 Q41 E45 E46 A47 H104 I107F25-Y43 HydrophobicContact CD1-CE2 4.36Å; F25-Y43 AromaticContact CE1-CD2 3.82Å; F25-Y43 HydrophobicContact CE1-CD2 3.82Å; F25-Y43 AromaticContact CE1-CE2 3.68Å; F25-Y43 HydrophobicContact CE1-CE2 3.68Å; I38-Y43 HydrophobicContact CB-CE2 3.93Å; I38-Y43 HydrophobicContact CG2-CD2 3.9Å; I38-Y43 HydrophobicContact CG2-CE2 3.56Å; V40-Y43 PolarHBondContact O-N 3.28Å; Q41-Y43 VanDerWaalsContact C-N 3.35Å; Q41-Y43 PolarHBondContact O-N 2.97Å; Y43-E45 VanDerWaalsContact C-N 3.35Å; Y43-E46 PolarHBondContact O-N 2.93Å; Y43-A47 WeakPolarHBondContact O-CB 3.47Å; Y43-A47 PolarHBondContact O-N 2.91Å; Y43-H104 HydrophobicContact CD1-CB 3.97Å; Y43-H104 HydrophobicContact CD2-CB 4.38Å; Y43-H104 HydrophobicContact CE1-CB 4.06Å; Y43-H104 HydrophobicContact CE2-CB 4.48Å; Y43-H104 AromaticContact CE2-CD2 3.93Å; Y43-H104 HydrophobicContact CG-CB 4.12Å; Y43-H104 AromaticContact CZ-CD2 3.69Å; Y43-I107 HydrophobicContact CD2-CD1 3.91Å; Y43-I107 HydrophobicContact CG-CD1 4.01Å
44L97.8Very high88Confident0 Ų064.4 Ų64.40%031%0.314CS..Hα-helixtrans-63-42.1174.1-72.3168.4000111.6F18 V40 Q41 A48 F59 L102 I107 V109F18-L44 HydrophobicContact CD1-CD1 4.38Å; F18-L44 HydrophobicContact CD2-CD1 3.93Å; F18-L44 HydrophobicContact CE1-CD1 4.29Å; F18-L44 HydrophobicContact CE2-CD1 3.82Å; F18-L44 HydrophobicContact CG-CD1 4.22Å; F18-L44 HydrophobicContact CZ-CD1 4.03Å; V40-L44 HydrophobicContact CG1-CD1 4.12Å; V40-L44 PolarHBondContact O-N 3.28Å; Q41-L44 PolarHBondContact O-N 2.76Å; L44-A48 WeakPolarHBondContact O-CB 3.45Å; L44-A48 PolarHBondContact O-N 2.79Å; L44-F59 HydrophobicContact CB-CD1 4.02Å; L44-F59 HydrophobicContact CB-CD2 4.39Å; L44-F59 HydrophobicContact CB-CE1 3.84Å; L44-F59 HydrophobicContact CB-CE2 4.24Å; L44-F59 HydrophobicContact CB-CG 4.3Å; L44-F59 HydrophobicContact CB-CZ 3.97Å; L44-F59 HydrophobicContact CD1-CD1 4.01Å; L44-F59 HydrophobicContact CD1-CE1 4.09Å; L44-F59 HydrophobicContact CD2-CE1 4.12Å; L44-F59 HydrophobicContact CD2-CZ 4.5Å; L44-F59 HydrophobicContact CG-CE1 4.25Å; L44-L102 HydrophobicContact CD2-CD1 4.22Å; L44-L102 HydrophobicContact CD2-CD2 4.15Å; L44-I107 HydrophobicContact CD2-CG2 4.23Å; L44-V109 HydrophobicContact CD2-CG2 4.01Å
45E96.6Very high89.7Confident18 Ų1858.8 Ų58.88%0.08428%0.28CS..Hα-helixtrans-68.3-41.7176.8-72.5-175.3-177.800111.7Q41 N42 Y43 A47 A48 E49 R58 F59Q41-E45 HydrophobicContact CG-CG 4.28Å; Q41-E45 PolarHBondContact NE2-OE1 2.98Å; Q41-E45 WeakPolarHBondContact O-CB 3.46Å; Q41-E45 WeakPolarHBondContact O-CG 3.26Å; Q41-E45 PolarHBondContact O-N 3.12Å; N42-E45 PolarHBondContact O-N 2.89Å; Y43-E45 VanDerWaalsContact C-N 3.35Å; E45-A47 PolarHBondContact O-N 3.32Å; E45-A48 WeakPolarHBondContact O-CB 3.46Å; E45-A48 PolarHBondContact O-N 2.98Å; E45-A48 VanDerWaalsContact O-N 3.11Å; E45-E49 PolarHBondContact O-N 2.93Å; E45-E49 VanDerWaalsContact O-N 3.09Å; E45-R58 IonicContact OE2-CZ 3.83Å; E45-R58 IonicContact OE2-NH1 2.97Å; E45-R58 PolarHBondContact OE2-NH1 2.93Å; E45-F59 HydrophobicContact CG-CB 4.36Å; E45-F59 HydrophobicContact CG-CD2 3.86Å; E45-F59 HydrophobicContact CG-CG 4.47Å; E45-F59 PolarHBondContact OE1-N 2.88Å; E45-F59 VanDerWaalsContact OE1-N 3.08Å
46E95.6Very high91.5Very high70 Ų7058.4 Ų58.433%0.32729%0.287SS..Hα-helixtrans-58.8-45.8174-171.3-163.2149.400111.7N42 Y43 A48 E49 R103N42-E46 PolarHBondContact O-N 3.25Å; Y43-E46 PolarHBondContact O-N 2.93Å; E46-A48 VanDerWaalsContact C-N 3.25Å; E46-A48 PolarHBondContact O-N 2.94Å; E46-E49 WeakPolarHBondContact O-CB 3.46Å; E46-E49 PolarHBondContact O-N 3.35Å; E46-R103 WeakPolarHBondContact OE1-CD 3.16Å; E46-R103 IonicContact OE1-NE 3.29Å; E46-R103 PolarHBondContact OE1-NE 3.19Å
47A97.3Very high93.5Very high1 Ų146.5 Ų46.51%0.00824%0.243CC..Hα-helixtrans-61.1-3817600000111.5Y43 E45 E49 R50 L98 H101 L102Y43-A47 WeakPolarHBondContact O-CB 3.47Å; Y43-A47 PolarHBondContact O-N 2.91Å; E45-A47 PolarHBondContact O-N 3.32Å; A47-E49 VanDerWaalsContact C-N 3.33Å; A47-E49 PolarHBondContact O-N 3.39Å; A47-R50 WeakPolarHBondContact O-CB 3.47Å; A47-R50 PolarHBondContact O-N 3.24Å; A47-L98 HydrophobicContact CB-CD2 4.5Å; A47-H101 HydrophobicContact CB-CB 4.03Å; A47-L102 HydrophobicContact CB-CB 4.46Å; A47-L102 HydrophobicContact CB-CD2 3.97Å; A47-L102 HydrophobicContact CB-CG 3.83Å
48A97.5Very high95.2Very high0 Ų051.9 Ų51.90%026%0.256CS..Hα-helixtrans-72.1-22.5-178.800000114.2L44 E45 E46 R50 L51 V57 F59 L98L44-A48 WeakPolarHBondContact O-CB 3.45Å; L44-A48 PolarHBondContact O-N 2.79Å; E45-A48 WeakPolarHBondContact O-CB 3.46Å; E45-A48 PolarHBondContact O-N 2.98Å; E45-A48 VanDerWaalsContact O-N 3.11Å; E46-A48 VanDerWaalsContact C-N 3.25Å; E46-A48 PolarHBondContact O-N 2.94Å; A48-R50 PolarHBondContact O-N 2.92Å; A48-L51 HydrophobicContact CB-CD1 4.17Å; A48-L51 VanDerWaalsContact O-CB 3.26Å; A48-L51 WeakPolarHBondContact O-CB 3.32Å; A48-L51 WeakPolarHBondContact O-CG 3.49Å; A48-L51 PolarHBondContact O-N 3.02Å; A48-V57 HydrophobicContact CB-CB 3.89Å; A48-V57 HydrophobicContact CB-CG1 3.69Å; A48-F59 HydrophobicContact CB-CE2 3.79Å; A48-L98 HydrophobicContact CB-CD2 3.85Å
49E96.3Very high95.7Very high138 Ų13848.5 Ų48.565%0.64524%0.239SC*.Hα-helixtrans-57.3-32.4171-68.5176177.200111.4E45 E46 A47 L51 N52E45-E49 PolarHBondContact O-N 2.93Å; E45-E49 VanDerWaalsContact O-N 3.09Å; E46-E49 WeakPolarHBondContact O-CB 3.46Å; E46-E49 PolarHBondContact O-N 3.35Å; A47-E49 VanDerWaalsContact C-N 3.33Å; A47-E49 PolarHBondContact O-N 3.39Å; E49-L51 PolarHBondContact O-N 3.41Å; E49-N52 PolarHBondContact O-N 2.9Å
50R96.8Very high95.9Very high135 Ų13550.9 Ų50.951%0.50925%0.253SS..THydrogen-bonded Turntrans-74.7-8.2178.9-58.9-62.6179165.5-3.2114.3A47 A48 N52 H101A47-R50 WeakPolarHBondContact O-CB 3.47Å; A47-R50 PolarHBondContact O-N 3.24Å; A48-R50 PolarHBondContact O-N 2.92Å; R50-N52 PolarHBondContact O-N 3.18Å; R50-N52 PolarHBondContact O-ND2 3.41Å; R50-N52 VanDerWaalsContact O-ND2 3.08Å; R50-H101 HydrophobicContact CB-CB 3.95Å; R50-H101 WeakPolarHBondContact CB-CD2 3.44Å; R50-H101 HydrophobicContact CG-CB 4Å
51L95.9Very high96Very high12 Ų1251.7 Ų51.76%0.06326%0.257CS..THydrogen-bonded Turntrans-70.3-9.2169.9-59.1176000112.7A48 E49 S53 V80 F89 L94 A97 L98A48-L51 HydrophobicContact CB-CD1 4.17Å; A48-L51 VanDerWaalsContact O-CB 3.26Å; A48-L51 WeakPolarHBondContact O-CB 3.32Å; A48-L51 WeakPolarHBondContact O-CG 3.49Å; A48-L51 PolarHBondContact O-N 3.02Å; E49-L51 PolarHBondContact O-N 3.41Å; L51-S53 PolarHBondContact O-N 3.06Å; L51-V80 HydrophobicContact CD1-CG2 4.11Å; L51-F89 HydrophobicContact CB-CE2 4.42Å; L51-L94 HydrophobicContact CD1-CD1 3.56Å; L51-L94 HydrophobicContact CD2-CD1 4.16Å; L51-A97 HydrophobicContact CD2-CB 3.61Å; L51-L98 HydrophobicContact CD1-CD2 3.99Å; L51-L98 HydrophobicContact CD1-CG 4.47Å; L51-L98 HydrophobicContact CG-CD2 4.48Å
52N94.4Very high96Very high101 Ų10150.5 Ų50.554%0.5425%0.252SS..  trans53.940.6179.7-64.7-71.1000112.6E49 R50E49-N52 PolarHBondContact O-N 2.9Å; R50-N52 PolarHBondContact O-N 3.18Å; R50-N52 PolarHBondContact O-ND2 3.41Å; R50-N52 VanDerWaalsContact O-ND2 3.08Å
53S95.6Very high96Very high26 Ų2648.5 Ų48.518%0.18224%0.242CC..  trans-66.9146176-167.30000110.9L51 V55 Q81L51-S53 PolarHBondContact O-N 3.06Å; S53-V55 VanDerWaalsContact CB-O 3.28Å; S53-V55 WeakPolarHBondContact CB-O 3.36Å; S53-V55 PolarHBondContact O-N 2.88Å; S53-V55 PolarHBondContact OG-O 3.16Å; S53-Q81 CarbonylContact C-O 3.58Å; S53-Q81 WeakPolarHBondContact CA-O 3.43Å; S53-Q81 PolarHBondContact OG-N 2.95Å; S53-Q81 PolarHBondContact OG-O 3.01Å
54V95Very high95.9Very high82 Ų8254.8 Ų54.850%0.49727%0.265SS..SBendtrans-66.7-27.5174-1780000111.3Q81 R83V54-Q81 HydrophobicContact CB-CB 4.41Å; V54-Q81 HydrophobicContact CB-CG 4.21Å; V54-Q81 HydrophobicContact CG2-CG 4.48Å; V54-Q81 PolarHBondContact N-O 2.81Å; V54-R83 HydrophobicContact CG2-CG 4.04Å
55V90.9Very high95.8Very high37 Ų3755.4 Ų55.422%0.22427%0.269CS..SBendtrans-110.6151.6176.9-61.40000110.2S53 V57 Q81S53-V55 VanDerWaalsContact CB-O 3.28Å; S53-V55 WeakPolarHBondContact CB-O 3.36Å; S53-V55 PolarHBondContact O-N 2.88Å; S53-V55 PolarHBondContact OG-O 3.16Å; V55-V57 PolarHBondContact O-N 3.21Å; V55-Q81 HydrophobicContact CG2-CB 4Å
56P93.3Very high95.7Very high105 Ų10555.9 Ų55.968%0.68227%0.272SS*.  trans-57.6127.3172.4-24.334.3000111.2
57V95.9Very high95.7Very high14 Ų1454.6 Ų54.69%0.08527%0.274CS..  trans-85.1122.2176.8-173.60000108.6A48 V55 F59 L78 V80A48-V57 HydrophobicContact CB-CB 3.89Å; A48-V57 HydrophobicContact CB-CG1 3.69Å; V55-V57 PolarHBondContact O-N 3.21Å; V57-F59 HydrophobicContact CG1-CE2 4.22Å; V57-L78 HydrophobicContact CG1-CB 3.92Å; V57-L78 HydrophobicContact CG1-CD1 3.62Å; V57-L78 HydrophobicContact CG1-CG 4.33Å; V57-V80 HydrophobicContact CG1-CG2 4.38Å; V57-V80 HydrophobicContact CG2-CG2 4.27Å
58R95.1Very high95.7Very high150 Ų15055.1 Ų55.157%0.56628%0.279SS*.  trans-123.4143177-64.8-63.6-176.9-160.5-9110E45 L78E45-R58 IonicContact OE2-CZ 3.83Å; E45-R58 IonicContact OE2-NH1 2.97Å; E45-R58 PolarHBondContact OE2-NH1 2.93Å; R58-L78 WeakPolarHBondContact O-CA 3.44Å
59F97.5Very high95.7Very high5 Ų555.1 Ų55.12%0.02228%0.279CS..  trans-99.3124.2178.5-82.5-119.5000109.9V16 Q41 L44 E45 A48 V57 I61 A76 L78 L98V16-F59 HydrophobicContact CG2-CD1 4.28Å; V16-F59 HydrophobicContact CG2-CE1 3.67Å; Q41-F59 HydrophobicContact CG-CB 4.07Å; Q41-F59 PolarHBondContact NE2-O 3.41Å; L44-F59 HydrophobicContact CB-CD1 4.02Å; L44-F59 HydrophobicContact CB-CD2 4.39Å; L44-F59 HydrophobicContact CB-CE1 3.84Å; L44-F59 HydrophobicContact CB-CE2 4.24Å; L44-F59 HydrophobicContact CB-CG 4.3Å; L44-F59 HydrophobicContact CB-CZ 3.97Å; L44-F59 HydrophobicContact CD1-CD1 4.01Å; L44-F59 HydrophobicContact CD1-CE1 4.09Å; L44-F59 HydrophobicContact CD2-CE1 4.12Å; L44-F59 HydrophobicContact CD2-CZ 4.5Å; L44-F59 HydrophobicContact CG-CE1 4.25Å; E45-F59 HydrophobicContact CG-CB 4.36Å; E45-F59 HydrophobicContact CG-CD2 3.86Å; E45-F59 HydrophobicContact CG-CG 4.47Å; E45-F59 PolarHBondContact OE1-N 2.88Å; E45-F59 VanDerWaalsContact OE1-N 3.08Å; A48-F59 HydrophobicContact CB-CE2 3.79Å; V57-F59 HydrophobicContact CG1-CE2 4.22Å; F59-I61 HydrophobicContact CB-CD1 4.11Å; F59-A76 HydrophobicContact CB-CB 4.43Å; F59-A76 HydrophobicContact CD1-CB 3.73Å; F59-L78 HydrophobicContact CD2-CB 4.23Å; F59-L78 HydrophobicContact CE1-CD2 4.41Å; F59-L78 HydrophobicContact CE2-CB 4.2Å; F59-L78 HydrophobicContact CE2-CD1 3.82Å; F59-L78 HydrophobicContact CE2-CG 4.49Å; F59-L78 HydrophobicContact CZ-CD1 3.81Å; F59-L78 HydrophobicContact CZ-CD2 4.33Å; F59-L78 HydrophobicContact CZ-CG 4.46Å; F59-L98 HydrophobicContact CZ-CD1 4.27Å; F59-L98 HydrophobicContact CZ-CD2 4.25Å
60T97.9Very high95.9Very high49 Ų4948.7 Ų48.730%0.30125%0.249SC..EExtended strand (participates in β ladder)trans-100.8102.3168.1-58.80000108.8A76 H77T60-A76 VanDerWaalsContact O-CA 3.25Å; T60-A76 WeakPolarHBondContact O-CA 3.43Å; T60-H77 WeakPolarHBondContact CB-CE1 3.49Å; T60-H77 WeakPolarHBondContact CB-ND1 3.3Å; T60-H77 VanDerWaalsContact CG2-CE1 3.41Å; T60-H77 WeakPolarHBondContact CG2-CE1 3.35Å; T60-H77 PolarHBondContact N-O 3.38Å; T60-H77 PolarHBondContact O-N 3.4Å; T60-H77 PolarHBondContact OG1-CE1 3.33Å; T60-H77 PolarHBondContact OG1-NE2 2.87Å
61I97.9Very high95.9Very high17 Ų1742.4 Ų42.49%0.08723%0.225CC..EExtended strand (participates in β ladder)trans-68.9139.3-176.8-50.3-55.7000111.4F18 V28 Q41 F59 S63 A76F18-I61 HydrophobicContact CE1-CD1 4.43Å; F18-I61 HydrophobicContact CZ-CD1 4.01Å; V28-I61 HydrophobicContact CG1-CG2 3.97Å; V28-I61 HydrophobicContact CG2-CD1 4.42Å; V28-I61 HydrophobicContact CG2-CG1 4.42Å; V28-I61 HydrophobicContact CG2-CG2 4.02Å; Q41-I61 HydrophobicContact CB-CD1 4.24Å; Q41-I61 HydrophobicContact CB-CG1 4.4Å; Q41-I61 HydrophobicContact CG-CD1 4.22Å; Q41-I61 HydrophobicContact CG-CG1 4.4Å; F59-I61 HydrophobicContact CB-CD1 4.11Å; I61-S63 VanDerWaalsContact CG2-O 3.3Å; I61-S63 WeakPolarHBondContact CG2-O 3.29Å; I61-A76 HydrophobicContact CD1-CB 3.72Å
62S96.9Very high96.1Very high4 Ų444.6 Ų44.63%0.02824%0.237CC..SBendtrans-71.8-53176.3179.80000112.3A75 A121 R128 V282 Y284S62-A75 WeakPolarHBondContact CB-O 3.24Å; S62-A75 PolarHBondContact N-O 2.92Å; S62-A121 WeakPolarHBondContact CB-O 3.46Å; S62-A121 PolarHBondContact OG-O 3.42Å; S62-R128 PolarHBondContact O-NH2 2.87Å; S62-R128 PolarHBondContact OG-NH2 3.02Å; S62-V282 VanDerWaalsContact OG-CG1 3.31Å; S62-V282 WeakPolarHBondContact OG-CG1 3.44Å; S62-Y284 VanDerWaalsContact CB-OH 3.27Å; S62-Y284 WeakPolarHBondContact CB-OH 3.43Å; S62-Y284 PolarHBondContact OG-OH 2.67Å; S62-Y284 VanDerWaalsContact OG-OH 3.12Å
63S95.1Very high96.2Very high4 Ų440.4 Ų40.43%0.02822%0.216CC..SBendtrans-124.4117.4-176.5-65.50000109.3I61 N74 R128 L279I61-S63 VanDerWaalsContact CG2-O 3.3Å; I61-S63 WeakPolarHBondContact CG2-O 3.29Å; S63-N74 PolarHBondContact N-OD1 2.87Å; S63-N74 PolarHBondContact O-ND2 3.18Å; S63-R128 WeakPolarHBondContact OG-CD 3.46Å; S63-R128 PolarHBondContact OG-NE 3.25Å; S63-L279 VanDerWaalsContact CB-CD2 3.5Å
64R94.6Very high96.4Very high183 Ų18339.2 Ų39.269%0.69121%0.207SC*.  trans-68.9136.9168.1-67.2-174.2-173.7161.8-0.1108.9V28V28-R64 HydrophobicContact CG1-CB 4.46Å
65T96.7Very high96.5Very high12 Ų1235.3 Ų35.37%0.07418%0.184CC..  trans-120.5145.2168.667.20000109.2Y20 G27 V28 V69 L279Y20-T65 WeakPolarHBondContact OH-CG2 3.33Å; Y20-T65 PolarHBondContact OH-OG1 2.95Å; G27-T65 VanDerWaalsContact CA-O 3.26Å; G27-T65 WeakPolarHBondContact CA-O 3.42Å; V28-T65 VanDerWaalsContact CG1-N 3.28Å; V28-T65 PolarHBondContact N-O 3.09Å; T65-V69 HydrophobicContact CG2-CG1 3.98Å; T65-L279 HydrophobicContact CG2-CB 4.27Å; T65-L279 HydrophobicContact CG2-CD2 4.46Å
66D94.5Very high96.9Very high28 Ų2833.5 Ų33.515%0.1517%0.173CC..  trans-69.3168.2178.3-49.2-21.3000111.5G27 G68 V69 Y231 R232 R235G27-D66 WeakPolarHBondContact CA-O 3.42Å; D66-G68 PolarHBondContact O-N 2.86Å; D66-V69 HydrophobicContact CB-CG2 3.95Å; D66-V69 WeakPolarHBondContact O-CB 3.37Å; D66-V69 PolarHBondContact O-N 3.42Å; D66-V69 VanDerWaalsContact O-N 3.14Å; D66-Y231 WeakPolarHBondContact OD1-CE2 3.19Å; D66-R232 WeakPolarHBondContact OD2-CG 3.46Å; D66-R235 IonicContact OD2-CZ 3.52Å; D66-R235 IonicContact OD2-NH1 2.74Å; D66-R235 PolarHBondContact OD2-NH1 2.87Å
67A95.4Very high97.2Very high44 Ų4428.9 Ų28.936%0.36414%0.142SC..THydrogen-bonded Turntrans-51.7132.716700000111.7F25 V69 A274F25-A67 WeakPolarHBondContact O-CA 3.47Å; A67-V69 VanDerWaalsContact C-N 3.29Å; A67-V69 PolarHBondContact O-N 3.3Å; A67-A274 WeakPolarHBondContact O-CB 3.12Å
68G96.4Very high97.3Very high11 Ų1128.3 Ų28.311%0.11314%0.138CC..THydrogen-bonded Turntrans80.1-7.6-178.700000116.1G22 F25 D66 H70 A274 H275G22-G68 VanDerWaalsContact O-CA 3.22Å; G22-G68 WeakPolarHBondContact O-CA 3.48Å; G22-G68 PolarHBondContact O-N 3.37Å; F25-G68 PolarHBondContact O-N 3.4Å; D66-G68 PolarHBondContact O-N 2.86Å; G68-H70 PolarHBondContact O-NE2 3.04Å; G68-A274 CarbonylContact O-C 3.55Å; G68-H275 WeakPolarHBondContact O-CA 3.41Å; G68-H275 PolarHBondContact O-N 2.89Å
69V98.4Very high97.4Very high1 Ų122 Ų221%0.00612%0.116CC..  trans-83.9135.3179.4174.80000110.3Y20 G22 T65 D66 A67 A274 L277Y20-V69 VanDerWaalsContact CE2-O 3.32Å; Y20-V69 WeakPolarHBondContact CE2-O 3.46Å; G22-V69 WeakPolarHBondContact CA-O 3.4Å; T65-V69 HydrophobicContact CG2-CG1 3.98Å; D66-V69 HydrophobicContact CB-CG2 3.95Å; D66-V69 WeakPolarHBondContact O-CB 3.37Å; D66-V69 PolarHBondContact O-N 3.42Å; D66-V69 VanDerWaalsContact O-N 3.14Å; A67-V69 VanDerWaalsContact C-N 3.29Å; A67-V69 PolarHBondContact O-N 3.3Å; V69-A274 HydrophobicContact CG2-CB 3.81Å; V69-L277 HydrophobicContact CG1-CB 4.15Å; V69-L277 HydrophobicContact CG1-CD2 3.98Å; V69-L277 HydrophobicContact CG1-CG 3.89Å; V69-L277 WeakPolarHBondContact CG1-O 3.33Å; V69-L277 HydrophobicContact CG2-CB 4.39Å; V69-L277 HydrophobicContact CG2-CD2 4.13Å
70H98.7Very high97.4Very high2 Ų221.9 Ų21.91%0.00912%0.116CC..EExtended strand (participates in β ladder)trans-88.7166.3-178.7-51.9-94.7000111.9V21 G22 T23 G68 N150 H275 L277 F278 L279V21-H70 WeakPolarHBondContact CA-ND1 3.34Å; G22-H70 PolarHBondContact N-ND1 2.9Å; T23-H70 PolarHBondContact OG1-CE1 3.41Å; G68-H70 PolarHBondContact O-NE2 3.04Å; H70-N150 PolarHBondContact CE1-O 3Å; H70-N150 VanDerWaalsContact CE1-O 3.23Å; H70-N150 PolarHBondContact NE2-O 2.74Å; H70-H275 PolarHBondContact CD2-O 3.48Å; H70-H275 WeakPolarHBondContact NE2-CA 3.19Å; H70-H275 PolarHBondContact NE2-O 3.44Å; H70-L277 PolarHBondContact N-O 2.91Å; H70-F278 HydrophobicContact CB-CD1 3.35Å; H70-F278 HydrophobicContact CB-CE1 3.53Å; H70-F278 HydrophobicContact CB-CG 4.04Å; H70-F278 HydrophobicContact CB-CZ 4.34Å; H70-F278 AromaticContact CD2-CE1 3.94Å; H70-F278 AromaticContact CD2-CZ 3.9Å; H70-F278 AromaticContact CG-CD1 3.97Å; H70-F278 AromaticContact CG-CE1 3.62Å; H70-F278 WeakPolarHBondContact O-CA 3.44Å; H70-L279 PolarHBondContact O-N 3.44Å
71A98.6Very high97.3Very high3 Ų321.3 Ų21.33%0.02511%0.11CC..EExtended strand (participates in β ladder)trans-138.3127.7164.500000111.1Q19 Y20 N74 L279Q19-A71 CarbonylContact C-O 3.6Å; Q19-A71 VanDerWaalsContact CA-O 3.26Å; Q19-A71 WeakPolarHBondContact CA-O 3.28Å; Q19-A71 WeakPolarHBondContact CB-O 3.43Å; Y20-A71 HydrophobicContact CD1-CB 3.87Å; Y20-A71 HydrophobicContact CE1-CB 3.33Å; Y20-A71 HydrophobicContact CE2-CB 4.1Å; Y20-A71 HydrophobicContact CG-CB 4.44Å; Y20-A71 VanDerWaalsContact CZ-CB 3.45Å; Y20-A71 PolarHBondContact N-O 3.26Å; Y20-A71 PolarHBondContact O-N 3.28Å; A71-N74 HydrophobicContact CB-CB 3.91Å; A71-L279 CarbonylContact C-O 3.5Å; A71-L279 WeakPolarHBondContact CA-O 3.2Å; A71-L279 HydrophobicContact CB-CB 3.98Å
72L98.5Very high97.2Very high58 Ų5822.8 Ų22.830%0.30411%0.114SC..EExtended strand (participates in β ladder)trans-78.2-32166.6-56.9178.1000110.5Q19 F278 L279 K280Q19-L72 WeakPolarHBondContact CB-O 3.41Å; L72-F278 HydrophobicContact CD2-CD1 4.04Å; L72-F278 HydrophobicContact CG-CB 4.34Å; L72-F278 HydrophobicContact CG-CD1 4.22Å; L72-L279 PolarHBondContact N-O 3.12Å; L72-K280 HydrophobicContact CD1-CG 4.29Å
73S98Very high96.9Very high14 Ų1430.5 Ų30.510%0.09814%0.142CC..EExtended strand (participates in β ladder)trans-159.889.7177.7-168.30000110.5Y17 L279 K280Y17-S73 VanDerWaalsContact CD1-OG 3.3Å; Y17-S73 WeakPolarHBondContact CD1-OG 3.49Å; S73-L279 PolarHBondContact N-O 2.87Å; S73-K280 WeakPolarHBondContact CB-O 3.29Å
74N98.6Very high96.3Very high0 Ų034.6 Ų34.60%017%0.171CC..EExtended strand (participates in β ladder)trans-88.8167.7163.3-154.1-22.3000109.4Y17 F18 Y20 S63 A71 L279Y17-N74 CarbonylContact C-O 3.57Å; Y17-N74 VanDerWaalsContact CA-O 3.27Å; Y17-N74 WeakPolarHBondContact CA-O 3.23Å; F18-N74 HydrophobicContact CD1-CB 4.48Å; F18-N74 HydrophobicContact CD2-CB 4.32Å; F18-N74 HydrophobicContact CE1-CB 3.99Å; F18-N74 HydrophobicContact CE2-CB 3.82Å; F18-N74 HydrophobicContact CZ-CB 3.63Å; F18-N74 PolarHBondContact N-O 3.15Å; F18-N74 PolarHBondContact O-N 3.47Å; Y20-N74 HydrophobicContact CE1-CB 4.04Å; Y20-N74 PolarHBondContact OH-ND2 3.25Å; S63-N74 PolarHBondContact N-OD1 2.87Å; S63-N74 PolarHBondContact O-ND2 3.18Å; A71-N74 HydrophobicContact CB-CB 3.91Å; N74-L279 HydrophobicContact CB-CD2 3.68Å
75A98.5Very high95.5Very high0 Ų028.9 Ų28.90%017%0.169CC..EExtended strand (participates in β ladder)trans-136.7150.6-179.200000111.3L15 V16 Y17 S62 V282 Y284L15-A75 HydrophobicContact CD1-CB 3.98Å; V16-A75 CarbonylContact O-C 3.51Å; V16-A75 VanDerWaalsContact O-CA 3.24Å; V16-A75 WeakPolarHBondContact O-CA 3.41Å; Y17-A75 HydrophobicContact CD1-CB 3.95Å; Y17-A75 HydrophobicContact CE1-CB 3.92Å; S62-A75 WeakPolarHBondContact CB-O 3.24Å; S62-A75 PolarHBondContact N-O 2.92Å; A75-V282 HydrophobicContact CB-CB 4.2Å; A75-V282 HydrophobicContact CB-CG1 4.25Å; A75-V282 HydrophobicContact CB-CG2 4.48Å; A75-Y284 HydrophobicContact CB-CE2 3.98Å; A75-Y284 WeakPolarHBondContact CB-OH 3.26Å
76A98.6Very high95.2Very high0 Ų035.8 Ų35.80%019%0.194CC..EExtended strand (participates in β ladder)trans-150.1152.7174.300000110.1L15 V16 F18 F59 T60 I61L15-A76 CarbonylContact C-O 3.6Å; L15-A76 WeakPolarHBondContact CA-O 3.5Å; L15-A76 WeakPolarHBondContact CD1-O 3.5Å; V16-A76 HydrophobicContact CG2-CB 4.25Å; V16-A76 WeakPolarHBondContact CG2-O 3.44Å; V16-A76 PolarHBondContact N-O 3.16Å; V16-A76 PolarHBondContact O-N 3.4Å; F18-A76 HydrophobicContact CE1-CB 3.79Å; F59-A76 HydrophobicContact CB-CB 4.43Å; F59-A76 HydrophobicContact CD1-CB 3.73Å; T60-A76 VanDerWaalsContact O-CA 3.25Å; T60-A76 WeakPolarHBondContact O-CA 3.43Å; I61-A76 HydrophobicContact CD1-CB 3.72Å
77H98.4Very high95.1Very high8 Ų838.7 Ų38.74%0.03722%0.215CC..EExtended strand (participates in β ladder)trans-105.9150.1166.577.3-93.9000111.2R13 Y14 T60 F119 H120 A121R13-H77 HydrophobicContact CG-CB 4.34Å; R13-H77 PolarHBondContact NE-CD2 3.23Å; Y14-H77 CarbonylContact O-C 3.49Å; Y14-H77 WeakPolarHBondContact O-CA 3.43Å; Y14-H77 WeakPolarHBondContact O-CB 3.34Å; T60-H77 WeakPolarHBondContact CB-CE1 3.49Å; T60-H77 WeakPolarHBondContact CB-ND1 3.3Å; T60-H77 VanDerWaalsContact CG2-CE1 3.41Å; T60-H77 WeakPolarHBondContact CG2-CE1 3.35Å; T60-H77 PolarHBondContact N-O 3.38Å; T60-H77 PolarHBondContact O-N 3.4Å; T60-H77 PolarHBondContact OG1-CE1 3.33Å; T60-H77 PolarHBondContact OG1-NE2 2.87Å; H77-F119 HydrophobicContact CB-CD1 4.25Å; H77-F119 HydrophobicContact CB-CE1 4.35Å; H77-H120 AromaticContact CE1-CD2 3.8Å; H77-H120 AromaticContact CE1-CG 3.9Å; H77-A121 HydrophobicContact CB-CB 4.09Å; H77-A121 PolarHBondContact ND1-N 2.94Å; H77-A121 VanDerWaalsContact ND1-N 3.13Å
78L98.4Very high95.1Very high1 Ų138.3 Ų38.31%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-142154.2176.867.4159.7000109.7R13 Y14 V16 V57 R58 F59 V80R13-L78 WeakPolarHBondContact CA-O 3.45Å; Y14-L78 PolarHBondContact N-O 3.5Å; Y14-L78 PolarHBondContact O-N 3.24Å; V16-L78 HydrophobicContact CB-CD2 4.32Å; V16-L78 HydrophobicContact CG1-CD2 3.57Å; V16-L78 HydrophobicContact CG2-CD2 3.83Å; V57-L78 HydrophobicContact CG1-CB 3.92Å; V57-L78 HydrophobicContact CG1-CD1 3.62Å; V57-L78 HydrophobicContact CG1-CG 4.33Å; R58-L78 WeakPolarHBondContact O-CA 3.44Å; F59-L78 HydrophobicContact CD2-CB 4.23Å; F59-L78 HydrophobicContact CE1-CD2 4.41Å; F59-L78 HydrophobicContact CE2-CB 4.2Å; F59-L78 HydrophobicContact CE2-CD1 3.82Å; F59-L78 HydrophobicContact CE2-CG 4.49Å; F59-L78 HydrophobicContact CZ-CD1 3.81Å; F59-L78 HydrophobicContact CZ-CD2 4.33Å; F59-L78 HydrophobicContact CZ-CG 4.46Å; L78-V80 HydrophobicContact CD1-CG2 3.94Å; L78-V80 HydrophobicContact CG-CG2 4.44Å
79D97.9Very high95.1Very high17 Ų1739 Ų399%0.09121%0.208CC..EExtended strand (participates in β ladder)trans-112.3133.3174.2-65.9-45.7000110.5R11 A12 R13R11-D79 HydrophobicContact CG-CB 4.15Å; R11-D79 IonicContact CZ-OD2 3.37Å; R11-D79 VanDerWaalsContact NE-CB 3.25Å; R11-D79 IonicContact NE-OD2 3.33Å; R11-D79 PolarHBondContact NE-OD2 3.45Å; R11-D79 IonicContact NH2-OD2 2.67Å; R11-D79 PolarHBondContact NH2-OD2 2.96Å; A12-D79 WeakPolarHBondContact O-CA 3.2Å; R13-D79 VanDerWaalsContact CA-OD1 3.3Å; R13-D79 WeakPolarHBondContact CA-OD1 3.48Å; R13-D79 WeakPolarHBondContact CB-OD1 3.43Å; R13-D79 VanDerWaalsContact CG-OD1 3.26Å; R13-D79 WeakPolarHBondContact CG-OD1 3.33Å; R13-D79 IonicContact CZ-OD1 3.64Å; R13-D79 IonicContact CZ-OD2 3.62Å; R13-D79 IonicContact NE-OD1 2.81Å; R13-D79 PolarHBondContact NE-OD1 3.23Å; R13-D79 IonicContact NE-OD2 3.53Å; R13-D79 IonicContact NH2-OD1 3.57Å; R13-D79 IonicContact NH2-OD2 2.83Å; R13-D79 PolarHBondContact NH2-OD2 2.87Å
80V97.4Very high95.1Very high3 Ų341.8 Ų41.82%0.01823%0.226CC..EExtended strand (participates in β ladder)trans-129.6128.6179.5-178.10000109A12 Y14 L51 V57 L78 F89 L94A12-V80 WeakPolarHBondContact CB-O 3.41Å; A12-V80 PolarHBondContact N-O 2.62Å; A12-V80 PolarHBondContact O-N 3.15Å; Y14-V80 HydrophobicContact CD2-CB 4.44Å; Y14-V80 HydrophobicContact CD2-CG2 4.35Å; Y14-V80 HydrophobicContact CE2-CB 4.11Å; Y14-V80 HydrophobicContact CE2-CG2 4.42Å; L51-V80 HydrophobicContact CD1-CG2 4.11Å; V57-V80 HydrophobicContact CG1-CG2 4.38Å; V57-V80 HydrophobicContact CG2-CG2 4.27Å; L78-V80 HydrophobicContact CD1-CG2 3.94Å; L78-V80 HydrophobicContact CG-CG2 4.44Å; V80-F89 HydrophobicContact CG1-CD2 3.97Å; V80-F89 HydrophobicContact CG1-CE2 3.89Å; V80-L94 HydrophobicContact CG2-CD1 4.18Å
81Q96.3Very high95Very high37 Ų3743.1 Ų43.117%0.17324%0.235CC..EExtended strand (participates in β ladder)trans-119117.1171.7-175.8174.6-2000108.6S9 R11 S53 V54 V55S9-Q81 PolarHBondContact OG-NE2 2.92Å; R11-Q81 HydrophobicContact CB-CB 4.36Å; S53-Q81 CarbonylContact C-O 3.58Å; S53-Q81 WeakPolarHBondContact CA-O 3.43Å; S53-Q81 PolarHBondContact OG-N 2.95Å; S53-Q81 PolarHBondContact OG-O 3.01Å; V54-Q81 HydrophobicContact CB-CB 4.41Å; V54-Q81 HydrophobicContact CB-CG 4.21Å; V54-Q81 HydrophobicContact CG2-CG 4.48Å; V54-Q81 PolarHBondContact N-O 2.81Å; V55-Q81 HydrophobicContact CG2-CB 4Å
82R94.4Very high95Very high49 Ų4949.1 Ų49.119%0.18526%0.263CS..  trans-83.3157.9178.3-61.6-178.884.7-154.63110.4S9 R86 P87 F89S9-R82 WeakPolarHBondContact CB-O 3.38Å; R82-R86 HydrophobicContact CB-CB 3.96Å; R82-P87 WeakPolarHBondContact CD-O 3.4Å; R82-P87 PolarHBondContact NH1-O 2.77Å; R82-F89 HydrophobicContact CG-CD2 4Å; R82-F89 HydrophobicContact CG-CE2 3.68Å; R82-F89 HydrophobicContact CG-CZ 4.17Å; R82-F89 VanDerWaalsContact NE-CZ 3.33Å
83R90.8Very high95Very high165 Ų16549.1 Ų49.162%0.62327%0.265SS*.SBendtrans-58.7157.1176.5-64.3-177.7-177.1176.30.6111.6V54 R86V54-R83 HydrophobicContact CG2-CG 4.04Å; R83-R86 WeakPolarHBondContact O-CB 3.26Å; R83-R86 PolarHBondContact O-N 2.86Å
84S82.9Confident95Very high90 Ų9048.5 Ų48.563%0.62926%0.26SS*.THydrogen-bonded Turntrans-45.1137.5-172.1-166.70000113.6R86S84-R86 VanDerWaalsContact C-N 3.28Å; S84-R86 PolarHBondContact O-N 3.43Å
85G78.3Confident95Very high63 Ų6348.9 Ų48.965%0.64926%0.264SS*.THydrogen-bonded Turntrans78.9-5.9179.200000116.1
86R89.9Confident95Very high157 Ų15755 Ų5559%0.59229%0.293SS*.PPolyproline II helixtrans-95.2129.2178.1-67.1-168.2177.7-166.2-1.6111.8R82 R83 S84R82-R86 HydrophobicContact CB-CB 3.96Å; R83-R86 WeakPolarHBondContact O-CB 3.26Å; R83-R86 PolarHBondContact O-N 2.86Å; S84-R86 VanDerWaalsContact C-N 3.28Å; S84-R86 PolarHBondContact O-N 3.43Å
87P93.3Very high95Very high90 Ų9056.1 Ų56.158%0.58430%0.302SS*.PPolyproline II helixtrans-68.7154.6174.830.3-35.6000110.4R82R82-P87 WeakPolarHBondContact CD-O 3.4Å; R82-P87 PolarHBondContact NH1-O 2.77Å
88P95.4Very high95Very high36 Ų3655.8 Ų55.823%0.23430%0.3CS..PPolyproline II helixtrans-46.3146.8170.8-31.539.9000112.5A12 Y14 R114A12-P88 HydrophobicContact CB-CB 3.74Å; A12-P88 HydrophobicContact CB-CG 4Å; Y14-P88 WeakPolarHBondContact OH-CB 3.24Å; P88-R114 VanDerWaalsContact CG-NH2 3.28Å
89F96.2Very high95Very high26 Ų2658.2 Ų58.211%0.11431%0.313CS..PPolyproline II helixtrans-58.6138.1176.4-69.3-73.8000110.7Y14 L51 V80 R82 V93 L94Y14-F89 WeakPolarHBondContact CE1-O 3.38Å; Y14-F89 WeakPolarHBondContact OH-CA 3.33Å; Y14-F89 PolarHBondContact OH-N 3.19Å; Y14-F89 PolarHBondContact OH-O 3.4Å; L51-F89 HydrophobicContact CB-CE2 4.42Å; V80-F89 HydrophobicContact CG1-CD2 3.97Å; V80-F89 HydrophobicContact CG1-CE2 3.89Å; R82-F89 HydrophobicContact CG-CD2 4Å; R82-F89 HydrophobicContact CG-CE2 3.68Å; R82-F89 HydrophobicContact CG-CZ 4.17Å; R82-F89 VanDerWaalsContact NE-CZ 3.33Å; F89-V93 HydrophobicContact CD1-CG1 4.04Å; F89-L94 HydrophobicContact CB-CB 4.15Å; F89-L94 HydrophobicContact CD2-CD1 4.06Å
90P97.4Very high95Very high58 Ų5862.1 Ų62.138%0.37734%0.337SS..PPolyproline II helixtrans-55.1139.9158.3-21.132.6000109.7E92 V93 L94P90-E92 VanDerWaalsContact C-N 3.31Å; P90-E92 WeakPolarHBondContact CB-OE1 3.36Å; P90-E92 PolarHBondContact O-N 2.87Å; P90-V93 HydrophobicContact CB-CB 4.31Å; P90-V93 HydrophobicContact CB-CG2 4Å; P90-V93 HydrophobicContact CG-CB 4.47Å; P90-V93 HydrophobicContact CG-CG2 4.05Å; P90-V93 PolarHBondContact O-N 3.18Å; P90-V93 VanDerWaalsContact O-N 3.15Å; P90-L94 PolarHBondContact O-N 3.03Å
91P97.6Very high95Very high31 Ų3165.3 Ų65.320%0.20135%0.352CS..Hα-helixtrans-56.6-40.4-174.4-24.132.1000114.5L94 A95 A112 R114P91-L94 WeakPolarHBondContact O-CB 3.48Å; P91-L94 PolarHBondContact O-N 3.48Å; P91-A95 PolarHBondContact O-N 3.11Å; P91-A112 HydrophobicContact CB-CB 4Å; P91-A112 WeakPolarHBondContact CB-O 3.49Å; P91-A112 WeakPolarHBondContact O-CB 3.36Å; P91-R114 HydrophobicContact CG-CG 4.12Å
92E97.8Very high95Very high128 Ų12864.6 Ų64.660%0.59835%0.349SS*.Hα-helixtrans-61.8-42.7176.662.1-75.5178.400112.1P90 L94 A95 E96P90-E92 VanDerWaalsContact C-N 3.31Å; P90-E92 WeakPolarHBondContact CB-OE1 3.36Å; P90-E92 PolarHBondContact O-N 2.87Å; E92-L94 VanDerWaalsContact C-N 3.33Å; E92-L94 PolarHBondContact O-N 3.34Å; E92-A95 PolarHBondContact O-N 3.42Å; E92-E96 WeakPolarHBondContact O-CB 3.4Å; E92-E96 PolarHBondContact O-N 2.93Å
93V98.2Very high94.8Very high59 Ų5970.2 Ų70.236%0.35837%0.371SS..Hα-helixtrans-65.3-37.6175.8176.40000111F89 P90 A97F89-V93 HydrophobicContact CD1-CG1 4.04Å; P90-V93 HydrophobicContact CB-CB 4.31Å; P90-V93 HydrophobicContact CB-CG2 4Å; P90-V93 HydrophobicContact CG-CB 4.47Å; P90-V93 HydrophobicContact CG-CG2 4.05Å; P90-V93 PolarHBondContact O-N 3.18Å; P90-V93 VanDerWaalsContact O-N 3.15Å; V93-A97 VanDerWaalsContact O-CB 3.24Å; V93-A97 WeakPolarHBondContact O-CB 3.46Å; V93-A97 PolarHBondContact O-N 2.89Å
94L98.4Very high95Very high0 Ų064.3 Ų64.30%035%0.35CS..Hα-helixtrans-63-46.5174.3-177.479.3000111.1Y14 V16 L51 V80 F89 P90 P91 E92 A97 L98 A112Y14-L94 HydrophobicContact CD1-CD2 3.42Å; Y14-L94 VanDerWaalsContact CD1-CD2 3.42Å; Y14-L94 HydrophobicContact CD2-CD2 3.79Å; Y14-L94 HydrophobicContact CE1-CD2 3.92Å; Y14-L94 HydrophobicContact CE2-CD2 4.29Å; Y14-L94 HydrophobicContact CG-CD2 3.33Å; V16-L94 HydrophobicContact CG1-CD2 4.36Å; L51-L94 HydrophobicContact CD1-CD1 3.56Å; L51-L94 HydrophobicContact CD2-CD1 4.16Å; V80-L94 HydrophobicContact CG2-CD1 4.18Å; F89-L94 HydrophobicContact CB-CB 4.15Å; F89-L94 HydrophobicContact CD2-CD1 4.06Å; P90-L94 PolarHBondContact O-N 3.03Å; P91-L94 WeakPolarHBondContact O-CB 3.48Å; P91-L94 PolarHBondContact O-N 3.48Å; E92-L94 VanDerWaalsContact C-N 3.33Å; E92-L94 PolarHBondContact O-N 3.34Å; L94-A97 PolarHBondContact O-N 2.94Å; L94-L98 HydrophobicContact CG-CD1 4.23Å; L94-L98 WeakPolarHBondContact O-CG 3.32Å; L94-L98 PolarHBondContact O-N 3.01Å; L94-A112 HydrophobicContact CD2-CB 4.1Å
95A98.4Very high95.6Very high8 Ų866.2 Ų66.27%0.06636%0.36CS..Hα-helixtrans-63.6-42.8-179.900000111.8P91 E92 L98 N99 V109 A112P91-A95 PolarHBondContact O-N 3.11Å; E92-A95 PolarHBondContact O-N 3.42Å; A95-L98 PolarHBondContact O-N 3.41Å; A95-N99 PolarHBondContact O-N 3.24Å; A95-N99 PolarHBondContact O-ND2 3.17Å; A95-V109 HydrophobicContact CB-CG1 3.89Å; A95-A112 HydrophobicContact CB-CB 4.33Å
96E98.4Very high96.5Very high130 Ų13064.5 Ų64.561%0.60734%0.34SS*.Hα-helixtrans-62.1-48.5174.8-173.9179.4-17700111.5E92 L98 N99 T100E92-E96 WeakPolarHBondContact O-CB 3.4Å; E92-E96 PolarHBondContact O-N 2.93Å; E96-L98 VanDerWaalsContact C-N 3.32Å; E96-L98 PolarHBondContact O-N 3.13Å; E96-N99 PolarHBondContact O-N 3Å; E96-N99 VanDerWaalsContact O-N 3.13Å; E96-T100 PolarHBondContact O-N 3.08Å; E96-T100 PolarHBondContact O-OG1 3.36Å; E96-T100 VanDerWaalsContact O-OG1 3.08Å
97A98.3Very high96.9Very high23 Ų2357.5 Ų57.519%0.1931%0.314CS..Hα-helixtrans-60.3-40.7178.500000112.4L51 V93 L94 T100 H101L51-A97 HydrophobicContact CD2-CB 3.61Å; V93-A97 VanDerWaalsContact O-CB 3.24Å; V93-A97 WeakPolarHBondContact O-CB 3.46Å; V93-A97 PolarHBondContact O-N 2.89Å; L94-A97 PolarHBondContact O-N 2.94Å; A97-T100 PolarHBondContact O-N 3.39Å; A97-H101 PolarHBondContact O-CD2 3.15Å; A97-H101 PolarHBondContact O-N 3.08Å
98L98.4Very high97.2Very high0 Ų060.1 Ų60.10%031%0.312CS..Hα-helixtrans-61.5-46.2173.8-73.2170.6000111.4V16 A47 A48 L51 F59 L94 A95 E96 T100 H101 L102 V109V16-L98 HydrophobicContact CG1-CD1 4.18Å; A47-L98 HydrophobicContact CB-CD2 4.5Å; A48-L98 HydrophobicContact CB-CD2 3.85Å; L51-L98 HydrophobicContact CD1-CD2 3.99Å; L51-L98 HydrophobicContact CD1-CG 4.47Å; L51-L98 HydrophobicContact CG-CD2 4.48Å; F59-L98 HydrophobicContact CZ-CD1 4.27Å; F59-L98 HydrophobicContact CZ-CD2 4.25Å; L94-L98 HydrophobicContact CG-CD1 4.23Å; L94-L98 WeakPolarHBondContact O-CG 3.32Å; L94-L98 PolarHBondContact O-N 3.01Å; A95-L98 PolarHBondContact O-N 3.41Å; E96-L98 VanDerWaalsContact C-N 3.32Å; E96-L98 PolarHBondContact O-N 3.13Å; L98-T100 PolarHBondContact O-N 3.3Å; L98-H101 PolarHBondContact O-N 3.35Å; L98-L102 WeakPolarHBondContact O-CB 3.24Å; L98-L102 VanDerWaalsContact O-CG 3.31Å; L98-L102 WeakPolarHBondContact O-CG 3.05Å; L98-L102 PolarHBondContact O-N 3.08Å; L98-V109 HydrophobicContact CB-CG2 3.91Å; L98-V109 HydrophobicContact CD1-CG2 4.15Å
99N98.6Very high97.3Very high52 Ų5258.4 Ų58.428%0.27830%0.301SS..Hα-helixtrans-63.9-39.2177.8-77.5-39.5000112.9A95 E96 H101 L102 V109A95-N99 PolarHBondContact O-N 3.24Å; A95-N99 PolarHBondContact O-ND2 3.17Å; E96-N99 PolarHBondContact O-N 3Å; E96-N99 VanDerWaalsContact O-N 3.13Å; N99-H101 PolarHBondContact O-N 3.21Å; N99-L102 PolarHBondContact O-N 2.63Å; N99-V109 PolarHBondContact ND2-O 3.14Å; N99-V109 PolarHBondContact OD1-N 3.39Å; N99-V109 PolarHBondContact OD1-O 2.82Å
100T98.2Very high97.4Very high99 Ų9959.8 Ų59.861%0.60731%0.309SS*.Hα-helixtrans-60.4-30.1176.6-64.90000112.5E96 A97 L98E96-T100 PolarHBondContact O-N 3.08Å; E96-T100 PolarHBondContact O-OG1 3.36Å; E96-T100 VanDerWaalsContact O-OG1 3.08Å; A97-T100 PolarHBondContact O-N 3.39Å; L98-T100 PolarHBondContact O-N 3.3Å
101H97.8Very high97.4Very high70 Ų7060 Ų6032%0.32430%0.303SS..Hα-helixtrans-103.9-7.1-178-63.1-49.8000114.3A47 R50 A97 L98 N99 R103A47-H101 HydrophobicContact CB-CB 4.03Å; R50-H101 HydrophobicContact CB-CB 3.95Å; R50-H101 WeakPolarHBondContact CB-CD2 3.44Å; R50-H101 HydrophobicContact CG-CB 4Å; A97-H101 PolarHBondContact O-CD2 3.15Å; A97-H101 PolarHBondContact O-N 3.08Å; L98-H101 PolarHBondContact O-N 3.35Å; N99-H101 PolarHBondContact O-N 3.21Å; H101-R103 PolarHBondContact O-N 3.43Å
102L96.3Very high97.4Very high22 Ų2259 Ų5912%0.11530%0.297CS..  trans-69.9111.3172.5-88.9170.9000109.9L44 A47 L98 N99 I107 V109L44-L102 HydrophobicContact CD2-CD1 4.22Å; L44-L102 HydrophobicContact CD2-CD2 4.15Å; A47-L102 HydrophobicContact CB-CB 4.46Å; A47-L102 HydrophobicContact CB-CD2 3.97Å; A47-L102 HydrophobicContact CB-CG 3.83Å; L98-L102 WeakPolarHBondContact O-CB 3.24Å; L98-L102 VanDerWaalsContact O-CG 3.31Å; L98-L102 WeakPolarHBondContact O-CG 3.05Å; L98-L102 PolarHBondContact O-N 3.08Å; N99-L102 PolarHBondContact O-N 2.63Å; L102-I107 HydrophobicContact CD1-CG2 4.14Å; L102-I107 HydrophobicContact CD2-CB 4.48Å; L102-I107 HydrophobicContact CD2-CG2 4.19Å; L102-V109 HydrophobicContact CD1-CG2 3.95Å
103R91.1Very high97.4Very high168 Ų16855.2 Ų55.263%0.63428%0.279SS*.  trans-82.2-12.1-176.9-61.6-174.4-174.7-98.4-9114.6E46 H101E46-R103 WeakPolarHBondContact OE1-CD 3.16Å; E46-R103 IonicContact OE1-NE 3.29Å; E46-R103 PolarHBondContact OE1-NE 3.19Å; H101-R103 PolarHBondContact O-N 3.43Å
104H95Very high97.3Very high41 Ų4157.7 Ų57.719%0.1928%0.281CS..  trans-102.6120.6-174.9-161.7-73.3000111.4F25 Y43 A106 I107F25-H104 AromaticContact CE1-NE2 3.99Å; F25-H104 AromaticContact CZ-CE1 3.46Å; F25-H104 VanDerWaalsContact CZ-CE1 3.46Å; F25-H104 WeakPolarHBondContact CZ-CE1 3.32Å; F25-H104 AromaticContact CZ-CG 3.85Å; F25-H104 AromaticContact CZ-ND1 3.44Å; F25-H104 WeakPolarHBondContact CZ-ND1 3.22Å; F25-H104 AromaticContact CZ-NE2 3.87Å; Y43-H104 HydrophobicContact CD1-CB 3.97Å; Y43-H104 HydrophobicContact CD2-CB 4.38Å; Y43-H104 HydrophobicContact CE1-CB 4.06Å; Y43-H104 HydrophobicContact CE2-CB 4.48Å; Y43-H104 AromaticContact CE2-CD2 3.93Å; Y43-H104 HydrophobicContact CG-CB 4.12Å; Y43-H104 AromaticContact CZ-CD2 3.69Å; H104-A106 VanDerWaalsContact CE1-CB 3.4Å; H104-A106 WeakPolarHBondContact CE1-CB 3.09Å; H104-A106 VanDerWaalsContact ND1-CB 3.32Å; H104-A106 WeakPolarHBondContact ND1-CB 3.22Å; H104-A106 PolarHBondContact ND1-N 3.25Å; H104-A106 VanDerWaalsContact ND1-N 3.15Å; H104-A106 PolarHBondContact O-N 3.19Å; H104-A106 VanDerWaalsContact O-N 3.16Å; H104-I107 HydrophobicContact CB-CD1 4.07Å; H104-I107 HydrophobicContact CB-CG1 4.42Å; H104-I107 PolarHBondContact O-N 3.47Å
105P95.4Very high97.2Very high129 Ų12958.3 Ų58.384%0.83829%0.285SS*.THydrogen-bonded Turntrans-67.9-20.5-172.927.8-36000113.5I107P105-I107 VanDerWaalsContact C-N 3.28Å; P105-I107 PolarHBondContact O-N 3.34Å
106A96.9Very high97.1Very high27 Ų2761.7 Ų61.722%0.22331%0.306CS..THydrogen-bonded Turntrans-814.8177.800000114.8Y20 V21 F25 H104Y20-A106 CarbonylContact C-O 3.48Å; Y20-A106 WeakPolarHBondContact CA-O 3.46Å; Y20-A106 VanDerWaalsContact CB-O 3.24Å; Y20-A106 WeakPolarHBondContact CB-O 3.36Å; V21-A106 HydrophobicContact CB-CB 4.23Å; V21-A106 PolarHBondContact N-O 3.1Å; V21-A106 VanDerWaalsContact N-O 3.1Å; F25-A106 HydrophobicContact CE2-CB 4Å; F25-A106 HydrophobicContact CZ-CB 4.23Å; H104-A106 VanDerWaalsContact CE1-CB 3.4Å; H104-A106 WeakPolarHBondContact CE1-CB 3.09Å; H104-A106 VanDerWaalsContact ND1-CB 3.32Å; H104-A106 WeakPolarHBondContact ND1-CB 3.22Å; H104-A106 PolarHBondContact ND1-N 3.25Å; H104-A106 VanDerWaalsContact ND1-N 3.15Å; H104-A106 PolarHBondContact O-N 3.19Å; H104-A106 VanDerWaalsContact O-N 3.16Å
107I98.3Very high96.9Very high10 Ų1060.4 Ų60.45%0.05131%0.312CS..EExtended strand (participates in β ladder)trans-126.9136.4-179.2-53.3169.1000109F25 V40 Y43 L44 L102 H104 P105F25-I107 HydrophobicContact CE1-CD1 3.98Å; F25-I107 HydrophobicContact CE1-CG1 4.47Å; F25-I107 HydrophobicContact CE2-CD1 4.37Å; F25-I107 HydrophobicContact CE2-CG1 4.03Å; F25-I107 HydrophobicContact CZ-CD1 3.59Å; F25-I107 HydrophobicContact CZ-CG1 3.6Å; V40-I107 HydrophobicContact CB-CD1 4.35Å; V40-I107 HydrophobicContact CG1-CD1 3.82Å; V40-I107 HydrophobicContact CG1-CG1 4.08Å; V40-I107 HydrophobicContact CG1-CG2 4.09Å; Y43-I107 HydrophobicContact CD2-CD1 3.91Å; Y43-I107 HydrophobicContact CG-CD1 4.01Å; L44-I107 HydrophobicContact CD2-CG2 4.23Å; L102-I107 HydrophobicContact CD1-CG2 4.14Å; L102-I107 HydrophobicContact CD2-CB 4.48Å; L102-I107 HydrophobicContact CD2-CG2 4.19Å; H104-I107 HydrophobicContact CB-CD1 4.07Å; H104-I107 HydrophobicContact CB-CG1 4.42Å; H104-I107 PolarHBondContact O-N 3.47Å; P105-I107 VanDerWaalsContact C-N 3.28Å; P105-I107 PolarHBondContact O-N 3.34Å
108R98.6Very high96.7Very high145 Ų14565.6 Ų65.655%0.54734%0.336SS..EExtended strand (participates in β ladder)trans-144132174.1-178.7-179.5177-166.71.1111.4F18 Q19F18-R108 CarbonylContact C-O 3.58Å; F18-R108 WeakPolarHBondContact CA-O 3.18Å; F18-R108 WeakPolarHBondContact CB-O 3.41Å; Q19-R108 HydrophobicContact CG-CB 3.97Å; Q19-R108 PolarHBondContact N-O 3.1Å; Q19-R108 PolarHBondContact O-N 3.29Å
109V98.6Very high96.6Very high1 Ų166.2 Ų66.21%0.00634%0.339CS..EExtended strand (participates in β ladder)trans-76.7124.7165.7179.40000108.5V16 Y17 F18 L44 A95 L98 N99 L102V16-V109 HydrophobicContact CB-CG1 4.29Å; V16-V109 HydrophobicContact CG1-CG1 4.46Å; Y17-V109 CarbonylContact O-C 3.54Å; F18-V109 HydrophobicContact CB-CG2 4.46Å; L44-V109 HydrophobicContact CD2-CG2 4.01Å; A95-V109 HydrophobicContact CB-CG1 3.89Å; L98-V109 HydrophobicContact CB-CG2 3.91Å; L98-V109 HydrophobicContact CD1-CG2 4.15Å; N99-V109 PolarHBondContact ND2-O 3.14Å; N99-V109 PolarHBondContact OD1-N 3.39Å; N99-V109 PolarHBondContact OD1-O 2.82Å; L102-V109 HydrophobicContact CD1-CG2 3.95Å
110L98.3Very high96.6Very high54 Ų5466.5 Ų66.528%0.28334%0.338SS..EExtended strand (participates in β ladder)trans-84-42.1-177.8-61.8178.5000111.7Y17 Q19Y17-L110 PolarHBondContact O-N 3.5Å; Q19-L110 HydrophobicContact CB-CD1 4.35Å; Q19-L110 HydrophobicContact CB-CD2 4.39Å; Q19-L110 HydrophobicContact CB-CG 4.48Å; Q19-L110 HydrophobicContact CG-CD2 3.89Å; Q19-L110 HydrophobicContact CG-CG 4.4Å
111R97.3Very high96.5Very high64 Ų6461.8 Ų61.824%0.24231%0.309CS..EExtended strand (participates in β ladder)trans-171.8163.9-175.255.7-172.9171.5179.5-5.1110.6V16 Y17 F113 A290 S291V16-R111 WeakPolarHBondContact CA-O 3.44Å; Y17-R111 HydrophobicContact CD2-CG 4.04Å; Y17-R111 HydrophobicContact CG-CG 4.37Å; Y17-R111 PolarHBondContact N-O 3.41Å; R111-F113 HydrophobicContact CG-CE2 3.88Å; R111-F113 HydrophobicContact CG-CZ 4.41Å; R111-A290 PolarHBondContact NH1-O 3.24Å; R111-S291 PolarHBondContact NH2-O 2.82Å
112A98.1Very high96.4Very high9 Ų964.8 Ų64.87%0.07432%0.318CS..EExtended strand (participates in β ladder)trans-129.6161.4171.400000111.5L15 V16 P91 L94 A95L15-A112 CarbonylContact O-C 3.55Å; L15-A112 WeakPolarHBondContact O-CA 3.32Å; V16-A112 HydrophobicContact CG1-CB 3.71Å; P91-A112 HydrophobicContact CB-CB 4Å; P91-A112 WeakPolarHBondContact CB-O 3.49Å; P91-A112 WeakPolarHBondContact O-CB 3.36Å; L94-A112 HydrophobicContact CD2-CB 4.1Å; A95-A112 HydrophobicContact CB-CB 4.33Å
113F97Very high96.3Very high49 Ų4970 Ų7022%0.21534%0.341CS..EExtended strand (participates in β ladder)trans-138.2142.5173.3-61.2-88.2000109.3Y14 L15 Y17 R111 V115 L287Y14-F113 CarbonylContact C-O 3.57Å; Y14-F113 WeakPolarHBondContact CA-O 3.43Å; L15-F113 HydrophobicContact CD2-CD2 4.5Å; L15-F113 PolarHBondContact N-O 3.33Å; L15-F113 PolarHBondContact O-N 2.88Å; Y17-F113 HydrophobicContact CD2-CD2 4.21Å; Y17-F113 AromaticContact CD2-CE2 3.82Å; Y17-F113 HydrophobicContact CD2-CE2 3.82Å; Y17-F113 HydrophobicContact CE2-CD2 4.15Å; Y17-F113 AromaticContact CE2-CE2 3.79Å; Y17-F113 HydrophobicContact CE2-CE2 3.79Å; R111-F113 HydrophobicContact CG-CE2 3.88Å; R111-F113 HydrophobicContact CG-CZ 4.41Å; F113-V115 HydrophobicContact CB-CG1 4.39Å; F113-L287 HydrophobicContact CB-CD2 4.44Å
114R96.4Very high96.6Very high111 Ų11163.8 Ų63.842%0.41933%0.326SS..EExtended strand (participates in β ladder)trans-72.8132.2163.4-81-78.4-107.2145.51.3108.5Y14 P88 P91Y14-R114 HydrophobicContact CD1-CG 4.07Å; Y14-R114 VanDerWaalsContact CE1-CD 3.43Å; Y14-R114 HydrophobicContact CE1-CG 3.71Å; P88-R114 VanDerWaalsContact CG-NH2 3.28Å; P91-R114 HydrophobicContact CG-CG 4.12Å
115V96.6Very high96.6Very high12 Ų1261.9 Ų61.97%0.07332%0.318CS..  trans-131.2159.7179.9-63.20000110.3R13 L15 F113 F119 L287R13-V115 HydrophobicContact CB-CG2 4Å; R13-V115 HydrophobicContact CG-CG2 3.56Å; R13-V115 PolarHBondContact O-N 3.25Å; L15-V115 HydrophobicContact CB-CG1 3.72Å; L15-V115 HydrophobicContact CB-CG2 4.43Å; F113-V115 HydrophobicContact CB-CG1 4.39Å; V115-F119 HydrophobicContact CB-CB 3.92Å; V115-F119 HydrophobicContact CB-CD1 4.2Å; V115-F119 HydrophobicContact CB-CD2 4.38Å; V115-F119 HydrophobicContact CB-CG 3.9Å; V115-F119 HydrophobicContact CG1-CD1 4.46Å; V115-F119 HydrophobicContact CG1-CG 4.37Å; V115-F119 HydrophobicContact CG2-CB 3.8Å; V115-F119 HydrophobicContact CG2-CD1 3.72Å; V115-F119 HydrophobicContact CG2-CG 3.84Å; V115-L287 HydrophobicContact CG1-CD1 4.33Å; V115-L287 HydrophobicContact CG1-CD2 4.39Å
116P95.4Very high96.7Very high80 Ų8059 Ų5952%0.51930%0.298SS..  trans-51.8150.2172.6-30.338.7000112.8D118 F119P116-D118 WeakPolarHBondContact CB-OD1 3.41Å; P116-D118 PolarHBondContact O-N 3.08Å; P116-F119 VanDerWaalsContact O-CB 3.22Å; P116-F119 WeakPolarHBondContact O-CB 3.34Å; P116-F119 PolarHBondContact O-N 3.49Å
117S94.2Very high96.7Very high102 Ų10258.1 Ų58.171%0.71329%0.29SS*.THydrogen-bonded Turntrans-65.9-19.3-177.549.80000114.1R13R13-S117 PolarHBondContact NH1-O 3.29Å
118D94.4Very high96.7Very high132 Ų13258.4 Ų58.471%0.70629%0.29SS*.THydrogen-bonded Turntrans-93-7.617664.5-24.4000113.1P116 H120P116-D118 WeakPolarHBondContact CB-OD1 3.41Å; P116-D118 PolarHBondContact O-N 3.08Å; D118-H120 PolarHBondContact O-N 2.87Å
119F96.5Very high96.7Very high13 Ų1352 Ų526%0.05727%0.267CS..  trans-59.5132.9178.8176.2-87.3000111.4R13 L15 H77 V115 P116 A121 A124 Y284R13-F119 VanDerWaalsContact CD-O 3.31Å; R13-F119 WeakPolarHBondContact CD-O 3.26Å; R13-F119 PolarHBondContact NH1-O 3.44Å; L15-F119 HydrophobicContact CB-CE1 4.19Å; L15-F119 HydrophobicContact CD1-CE1 3.88Å; L15-F119 HydrophobicContact CD1-CZ 4.1Å; L15-F119 HydrophobicContact CD2-CE1 4.44Å; L15-F119 HydrophobicContact CD2-CZ 4.03Å; L15-F119 HydrophobicContact CG-CE1 4.4Å; L15-F119 HydrophobicContact CG-CZ 4.46Å; H77-F119 HydrophobicContact CB-CD1 4.25Å; H77-F119 HydrophobicContact CB-CE1 4.35Å; V115-F119 HydrophobicContact CB-CB 3.92Å; V115-F119 HydrophobicContact CB-CD1 4.2Å; V115-F119 HydrophobicContact CB-CD2 4.38Å; V115-F119 HydrophobicContact CB-CG 3.9Å; V115-F119 HydrophobicContact CG1-CD1 4.46Å; V115-F119 HydrophobicContact CG1-CG 4.37Å; V115-F119 HydrophobicContact CG2-CB 3.8Å; V115-F119 HydrophobicContact CG2-CD1 3.72Å; V115-F119 HydrophobicContact CG2-CG 3.84Å; P116-F119 VanDerWaalsContact O-CB 3.22Å; P116-F119 WeakPolarHBondContact O-CB 3.34Å; P116-F119 PolarHBondContact O-N 3.49Å; F119-A121 HydrophobicContact CE1-CB 4.08Å; F119-A124 HydrophobicContact CD2-CB 4.01Å; F119-A124 HydrophobicContact CE2-CB 3.67Å; F119-A124 HydrophobicContact CZ-CB 4.21Å; F119-Y284 HydrophobicContact CE1-CE1 4.38Å; F119-Y284 AromaticContact CE2-CD1 3.71Å; F119-Y284 HydrophobicContact CE2-CD1 3.71Å; F119-Y284 HydrophobicContact CE2-CE1 4.13Å; F119-Y284 HydrophobicContact CE2-CG 4.2Å; F119-Y284 AromaticContact CZ-CD1 3.49Å; F119-Y284 HydrophobicContact CZ-CD1 3.49Å; F119-Y284 VanDerWaalsContact CZ-CD1 3.49Å; F119-Y284 HydrophobicContact CZ-CD2 4.44Å; F119-Y284 AromaticContact CZ-CE1 3.47Å; F119-Y284 HydrophobicContact CZ-CE1 3.47Å; F119-Y284 VanDerWaalsContact CZ-CE1 3.47Å; F119-Y284 HydrophobicContact CZ-CE2 4.44Å; F119-Y284 HydrophobicContact CZ-CG 4.02Å; F119-Y284 AromaticContact CZ-CZ 3.98Å
120H97.3Very high96.7Very high58 Ų5852.8 Ų52.827%0.26927%0.27SS..  trans-126.6107.9178-167.3-66.4000111.9H77 D118 R122 H123 A124H77-H120 AromaticContact CE1-CD2 3.8Å; H77-H120 AromaticContact CE1-CG 3.9Å; D118-H120 PolarHBondContact O-N 2.87Å; H120-R122 PolarHBondContact ND1-N 2.92Å; H120-R122 PolarHBondContact O-N 3.02Å; H120-H123 HydrophobicContact CB-CB 4.3Å; H120-H123 AromaticContact CD2-CD2 3.82Å; H120-H123 AromaticContact CE1-CD2 3.4Å; H120-H123 PolarHBondContact CE1-CD2 3.03Å; H120-H123 VanDerWaalsContact CE1-CD2 3.4Å; H120-H123 AromaticContact CE1-NE2 3.75Å; H120-H123 AromaticContact CG-CD2 3.51Å; H120-H123 AromaticContact ND1-CD2 3.24Å; H120-H123 PolarHBondContact ND1-CD2 2.87Å; H120-H123 AromaticContact ND1-CG 3.88Å; H120-H123 AromaticContact NE2-CD2 3.77Å; H120-H123 PolarHBondContact O-N 2.81Å; H120-A124 WeakPolarHBondContact O-CB 3.41Å; H120-A124 PolarHBondContact O-N 3.5Å
121A97.2Very high96.8Very high0 Ų051.3 Ų51.30%026%0.262CS..THydrogen-bonded Turntrans-47.5-36-176.100000115.1L15 S62 H77 F119 Y284L15-A121 HydrophobicContact CD1-CB 4.26Å; S62-A121 WeakPolarHBondContact CB-O 3.46Å; S62-A121 PolarHBondContact OG-O 3.42Å; H77-A121 HydrophobicContact CB-CB 4.09Å; H77-A121 PolarHBondContact ND1-N 2.94Å; H77-A121 VanDerWaalsContact ND1-N 3.13Å; F119-A121 HydrophobicContact CE1-CB 4.08Å; A121-Y284 WeakPolarHBondContact O-CE1 3.13Å; A121-Y284 PolarHBondContact O-OH 3.33Å
122R95.6Very high96.8Very high134 Ų13448.2 Ų48.251%0.50625%0.251SS..THydrogen-bonded Turntrans-73.9-47.3175.3-172.8179.2178.6-173.2-1.2113.9H120 R128H120-R122 PolarHBondContact ND1-N 2.92Å; H120-R122 PolarHBondContact O-N 3.02Å; R122-R128 PolarHBondContact O-NH2 3.23Å
123H94.7Very high96.8Very high130 Ų13049.6 Ų49.660%0.60225%0.254SS*.THydrogen-bonded Turntrans-87.6-30.7-167-63.2-59000112.4H120 A125H120-H123 HydrophobicContact CB-CB 4.3Å; H120-H123 AromaticContact CD2-CD2 3.82Å; H120-H123 AromaticContact CE1-CD2 3.4Å; H120-H123 PolarHBondContact CE1-CD2 3.03Å; H120-H123 VanDerWaalsContact CE1-CD2 3.4Å; H120-H123 AromaticContact CE1-NE2 3.75Å; H120-H123 AromaticContact CG-CD2 3.51Å; H120-H123 AromaticContact ND1-CD2 3.24Å; H120-H123 PolarHBondContact ND1-CD2 2.87Å; H120-H123 AromaticContact ND1-CG 3.88Å; H120-H123 AromaticContact NE2-CD2 3.77Å; H120-H123 PolarHBondContact O-N 2.81Å; H123-A125 VanDerWaalsContact C-N 3.28Å; H123-A125 PolarHBondContact O-N 2.91Å
124A96.1Very high96.8Very high39 Ų3947.2 Ų47.232%0.32224%0.244SC..SBendtrans-78.1-11.5176.800000113.5F119 H120 T126 Y284F119-A124 HydrophobicContact CD2-CB 4.01Å; F119-A124 HydrophobicContact CE2-CB 3.67Å; F119-A124 HydrophobicContact CZ-CB 4.21Å; H120-A124 WeakPolarHBondContact O-CB 3.41Å; H120-A124 PolarHBondContact O-N 3.5Å; A124-T126 PolarHBondContact O-N 2.98Å; A124-Y284 HydrophobicContact CB-CD1 3.98Å; A124-Y284 HydrophobicContact CB-CE1 4.28Å; A124-Y284 WeakPolarHBondContact O-CD1 3.45Å
125A96.7Very high96.8Very high1 Ų142 Ų421%0.00822%0.224CC..EExtended strand (participates in β ladder)trans-68.7124.7-179.200000110.2H123 R128 Q227 V282 L283 Y284H123-A125 VanDerWaalsContact C-N 3.28Å; H123-A125 PolarHBondContact O-N 2.91Å; A125-R128 VanDerWaalsContact CB-NH1 3.28Å; A125-Q227 WeakPolarHBondContact O-CG 3.48Å; A125-V282 HydrophobicContact CB-CG1 3.92Å; A125-L283 CarbonylContact C-O 3.57Å; A125-L283 VanDerWaalsContact CA-O 3.29Å; A125-L283 WeakPolarHBondContact CA-O 3.01Å; A125-Y284 HydrophobicContact CB-CD1 4.16Å; A125-Y284 HydrophobicContact CB-CE1 3.63Å
126T96.7Very high96.8Very high69 Ų6941.4 Ų41.442%0.42322%0.22SC..EExtended strand (participates in β ladder)trans-91-27.8-178.353.20000112A124 L283A124-T126 PolarHBondContact O-N 2.98Å; T126-L283 PolarHBondContact N-O 2.81Å; T126-L283 PolarHBondContact OG1-O 2.83Å
127S97.3Very high96.7Very high7 Ų738.5 Ų38.55%0.04921%0.205CC..EExtended strand (participates in β ladder)trans-150.7148.9177.7-178.20000112E225 V282 L283S127-E225 VanDerWaalsContact OG-CD 3.31Å; S127-E225 WeakPolarHBondContact OG-CG 3.08Å; S127-E225 PolarHBondContact OG-OE1 3.04Å; S127-V282 WeakPolarHBondContact O-CA 3.28Å; S127-L283 PolarHBondContact O-N 2.85Å
128R98.3Very high96.4Very high16 Ų1633.7 Ų33.76%0.0617%0.172CC..EExtended strand (participates in β ladder)trans-132.9126.2171.1-67.1163.4171.287.12.9107.2S62 S63 R122 A125 E225 S226 Q227 F229 S281 V282S62-R128 PolarHBondContact O-NH2 2.87Å; S62-R128 PolarHBondContact OG-NH2 3.02Å; S63-R128 WeakPolarHBondContact OG-CD 3.46Å; S63-R128 PolarHBondContact OG-NE 3.25Å; R122-R128 PolarHBondContact O-NH2 3.23Å; A125-R128 VanDerWaalsContact CB-NH1 3.28Å; R128-E225 WeakPolarHBondContact O-CA 3.31Å; R128-S226 PolarHBondContact N-O 3.23Å; R128-S226 PolarHBondContact O-N 2.76Å; R128-S226 VanDerWaalsContact O-N 3.1Å; R128-Q227 PolarHBondContact NH1-O 3.12Å; R128-F229 HydrophobicContact CB-CD2 4.49Å; R128-F229 HydrophobicContact CB-CE2 4.1Å; R128-F229 WeakPolarHBondContact O-CE2 3.3Å; R128-S281 WeakPolarHBondContact CA-O 3.21Å; R128-V282 HydrophobicContact CG-CG2 4.41Å
129T98.8Very high95.9Very high10 Ų1031.4 Ų31.46%0.06116%0.157CC..EExtended strand (participates in β ladder)trans-111.3128.6175.2-47.70000109.3F224 K280 S281T129-F224 CarbonylContact C-O 3.48Å; T129-F224 WeakPolarHBondContact CA-O 3.48Å; T129-K280 HydrophobicContact CG2-CB 4.46Å; T129-K280 HydrophobicContact CG2-CD 4.21Å; T129-K280 WeakPolarHBondContact O-CA 3.27Å; T129-K280 WeakPolarHBondContact O-CB 3.22Å; T129-K280 PolarHBondContact O-N 3.3Å; T129-S281 VanDerWaalsContact CB-OG 3.31Å; T129-S281 WeakPolarHBondContact CB-OG 3.39Å; T129-S281 PolarHBondContact N-O 3.34Å; T129-S281 VanDerWaalsContact N-O 3.07Å; T129-S281 PolarHBondContact O-N 2.83Å; T129-S281 PolarHBondContact OG1-OG 3.21Å
130Y98.8Very high95.2Very high18 Ų1838.6 Ų38.67%0.07118%0.183CC..EExtended strand (participates in β ladder)trans-106.6142.6169.6-77.1-88.4000110.1E223 F224 F229 V234 L277 F278 L279Y130-E223 CarbonylContact O-C 3.55Å; Y130-E223 VanDerWaalsContact O-CA 3.26Å; Y130-E223 WeakPolarHBondContact O-CA 3.5Å; Y130-F224 PolarHBondContact N-O 3.08Å; Y130-F224 PolarHBondContact O-N 3.09Å; Y130-F229 AromaticContact CD2-CD2 3.82Å; Y130-F229 HydrophobicContact CD2-CD2 3.82Å; Y130-F229 AromaticContact CD2-CE2 3.59Å; Y130-F229 HydrophobicContact CD2-CE2 3.59Å; Y130-F229 HydrophobicContact CD2-CZ 4.09Å; Y130-F229 AromaticContact CE2-CD2 3.58Å; Y130-F229 HydrophobicContact CE2-CD2 3.58Å; Y130-F229 AromaticContact CE2-CE2 3.79Å; Y130-F229 HydrophobicContact CE2-CE2 3.79Å; Y130-F229 HydrophobicContact CE2-CG 4.32Å; Y130-V234 HydrophobicContact CD2-CG2 3.89Å; Y130-V234 HydrophobicContact CE2-CG2 4.45Å; Y130-V234 HydrophobicContact CG-CG1 4.45Å; Y130-V234 HydrophobicContact CG-CG2 4.06Å; Y130-L277 HydrophobicContact CD1-CD1 3.59Å; Y130-L277 HydrophobicContact CD1-CD2 4.07Å; Y130-L277 HydrophobicContact CD1-CG 3.89Å; Y130-L277 HydrophobicContact CE1-CD2 4.32Å; Y130-L277 HydrophobicContact CE1-CG 4.46Å; Y130-L277 HydrophobicContact CG-CD1 4.08Å; Y130-F278 CarbonylContact C-O 3.47Å; Y130-F278 VanDerWaalsContact CA-O 3.31Å; Y130-F278 WeakPolarHBondContact CA-O 3.43Å; Y130-F278 WeakPolarHBondContact CD1-O 3.39Å; Y130-L279 HydrophobicContact CD1-CB 4.19Å; Y130-L279 HydrophobicContact CD1-CD1 4.36Å; Y130-L279 HydrophobicContact CD2-CD1 4.34Å; Y130-L279 HydrophobicContact CE1-CB 3.79Å; Y130-L279 HydrophobicContact CE1-CD1 3.97Å; Y130-L279 HydrophobicContact CE1-CG 4.45Å; Y130-L279 HydrophobicContact CE2-CD1 3.92Å
131L98.7Very high94.2Very high23 Ų2340.1 Ų40.112%0.1220%0.198CC..EExtended strand (participates in β ladder)trans-115128.7170169.465.8000108.3R133 L222 E223 F278 K280L131-R133 HydrophobicContact CD2-CG 4.26Å; L131-R133 HydrophobicContact CG-CG 4.24Å; L131-L222 CarbonylContact C-O 3.55Å; L131-L222 WeakPolarHBondContact CA-O 3.33Å; L131-E223 HydrophobicContact CD1-CG 3.94Å; L131-F278 HydrophobicContact CB-CB 4.44Å; L131-F278 PolarHBondContact N-O 2.82Å; L131-F278 PolarHBondContact O-N 3.45Å; L131-K280 HydrophobicContact CB-CB 4.37Å
132Y98.8Very high93.6Very high0 Ų043.8 Ų43.80%023%0.229CC..EExtended strand (participates in β ladder)trans-111.4127.2169-157.7-72.5000109.5L134 W153 S221 L222 T238 A272 P273 G276 L277Y132-L134 HydrophobicContact CD1-CD2 3.57Å; Y132-L134 HydrophobicContact CD1-CG 4.22Å; Y132-L134 HydrophobicContact CE1-CD2 3.44Å; Y132-L134 VanDerWaalsContact CE1-CD2 3.44Å; Y132-W153 HydrophobicContact CE1-CB 3.7Å; Y132-W153 AromaticContact CE1-CE3 3.92Å; Y132-W153 HydrophobicContact CE1-CE3 3.92Å; Y132-S221 WeakPolarHBondContact O-CA 3.3Å; Y132-L222 PolarHBondContact N-O 3.15Å; Y132-L222 PolarHBondContact O-N 3.47Å; Y132-T238 HydrophobicContact CD1-CG2 3.67Å; Y132-T238 HydrophobicContact CD2-CG2 3.85Å; Y132-T238 HydrophobicContact CE1-CG2 3.88Å; Y132-T238 HydrophobicContact CE2-CG2 4.07Å; Y132-T238 HydrophobicContact CG-CG2 3.67Å; Y132-A272 HydrophobicContact CE2-CB 3.78Å; Y132-A272 WeakPolarHBondContact OH-CB 3.42Å; Y132-P273 WeakPolarHBondContact CE2-O 3.43Å; Y132-P273 WeakPolarHBondContact OH-CD 3.34Å; Y132-P273 PolarHBondContact OH-O 3.24Å; Y132-G276 CarbonylContact C-O 3.57Å; Y132-G276 VanDerWaalsContact CA-O 3.3Å; Y132-G276 WeakPolarHBondContact CA-O 3.48Å; Y132-L277 HydrophobicContact CD2-CB 3.76Å; Y132-L277 HydrophobicContact CD2-CD1 3.99Å; Y132-L277 HydrophobicContact CD2-CG 4.41Å; Y132-L277 HydrophobicContact CE2-CB 3.92Å
133R98.1Very high93.2Very high37 Ų3741.2 Ų41.214%0.1422%0.222CC..EExtended strand (participates in β ladder)trans-101.6131178-65.8-17973-134.46.2110.8L131 E148 L151 C152 W153 Q204 W220 G276 F278L131-R133 HydrophobicContact CD2-CG 4.26Å; L131-R133 HydrophobicContact CG-CG 4.24Å; R133-E148 IonicContact CZ-OE2 3.17Å; R133-E148 VanDerWaalsContact CZ-OE2 3.29Å; R133-E148 IonicContact NH1-OE2 3.19Å; R133-E148 PolarHBondContact NH1-OE2 3.25Å; R133-E148 IonicContact NH2-OE1 3.91Å; R133-E148 PolarHBondContact NH2-OE1 2.97Å; R133-E148 VanDerWaalsContact NH2-OE1 3.12Å; R133-E148 IonicContact NH2-OE2 2.82Å; R133-E148 PolarHBondContact NH2-OE2 2.97Å; R133-L151 WeakPolarHBondContact CB-O 3.31Å; R133-L151 WeakPolarHBondContact CD-O 3.49Å; R133-L151 PolarHBondContact NH1-O 3.1Å; R133-C152 HydrophobicContact CB-CB 3.8Å; R133-C152 CarbonylContact O-C 3.58Å; R133-C152 VanDerWaalsContact O-CA 3.32Å; R133-C152 WeakPolarHBondContact O-CA 3.36Å; R133-W153 PolarHBondContact O-N 3.2Å; R133-Q204 PolarHBondContact NH2-O 2.76Å; R133-W220 WeakPolarHBondContact CA-O 3.34Å; R133-G276 PolarHBondContact N-O 3.2Å; R133-F278 HydrophobicContact CG-CE2 4.27Å
134L96.9Very high93Very high0 Ų035.4 Ų35.40%020%0.195CC..EExtended strand (participates in β ladder)trans-118.7157173.8-50.8174.2000110.2Y132 W153 L155 L160 M165 F219 W220 L222 V242Y132-L134 HydrophobicContact CD1-CD2 3.57Å; Y132-L134 HydrophobicContact CD1-CG 4.22Å; Y132-L134 HydrophobicContact CE1-CD2 3.44Å; Y132-L134 VanDerWaalsContact CE1-CD2 3.44Å; L134-W153 WeakPolarHBondContact CA-O 3.26Å; L134-W153 HydrophobicContact CD2-CB 3.97Å; L134-W153 HydrophobicContact CD2-CD2 4.25Å; L134-W153 HydrophobicContact CD2-CE3 3.66Å; L134-W153 HydrophobicContact CD2-CG 4.43Å; L134-L155 HydrophobicContact CB-CD1 4.43Å; L134-L155 HydrophobicContact CD1-CD1 4.23Å; L134-L155 HydrophobicContact CD2-CD1 4.48Å; L134-L160 HydrophobicContact CD1-CD1 3.97Å; L134-M165 HydrophobicContact CD1-CE 4.39Å; L134-F219 WeakPolarHBondContact O-CA 3.34Å; L134-W220 HydrophobicContact CB-CB 4.1Å; L134-W220 HydrophobicContact CD1-CB 4.41Å; L134-W220 PolarHBondContact N-O 3.09Å; L134-W220 PolarHBondContact O-N 2.77Å; L134-L222 HydrophobicContact CD1-CD1 3.41Å; L134-L222 VanDerWaalsContact CD1-CD1 3.41Å; L134-L222 HydrophobicContact CG-CD1 3.88Å; L134-V242 HydrophobicContact CD1-CG2 3.63Å; L134-V242 HydrophobicContact CD2-CG2 4.09Å
135V96.4Very high92.8Very high0 Ų033.9 Ų33.90%018%0.182CC..EExtended strand (participates in β ladder)trans-140135.5169.763.50000110.8L144 C152 W153 T154 L155 L217 R218 F219V135-L144 HydrophobicContact CB-CD1 4.48Å; V135-L144 HydrophobicContact CG1-CD1 3.71Å; V135-L144 HydrophobicContact CG2-CD1 4.21Å; V135-C152 HydrophobicContact CG1-CB 4.47Å; V135-C152 VanDerWaalsContact CG1-SG 3.56Å; V135-W153 PolarHBondContact N-O 2.81Å; V135-T154 HydrophobicContact CG1-CG2 4.36Å; V135-L155 PolarHBondContact O-N 3.24Å; V135-L217 HydrophobicContact CG2-CB 4.16Å; V135-L217 HydrophobicContact CG2-CD2 4.03Å; V135-L217 HydrophobicContact CG2-CG 4.49Å; V135-R218 CarbonylContact C-O 3.57Å; V135-R218 VanDerWaalsContact CA-O 3.3Å; V135-R218 WeakPolarHBondContact CA-O 3.46Å; V135-F219 HydrophobicContact CB-CD1 4.01Å; V135-F219 HydrophobicContact CB-CE1 3.96Å; V135-F219 HydrophobicContact CG2-CD1 4.07Å; V135-F219 HydrophobicContact CG2-CE1 3.82Å; V135-F219 HydrophobicContact CG2-CE2 4.27Å; V135-F219 HydrophobicContact CG2-CG 4.43Å; V135-F219 HydrophobicContact CG2-CZ 3.93Å
136T95.8Very high92.6Very high0 Ų038.5 Ų38.50%021%0.21CC..EExtended strand (participates in β ladder)trans-120.5168.2172.166.10000110.3L155 A157 D158 L160 L217 R218 W220T136-L155 HydrophobicContact CG2-CB 4.08Å; T136-L155 HydrophobicContact CG2-CD1 4.11Å; T136-A157 VanDerWaalsContact CB-O 3.24Å; T136-A157 WeakPolarHBondContact CB-O 3.42Å; T136-D158 WeakPolarHBondContact CB-O 3.34Å; T136-D158 PolarHBondContact OG1-O 3.09Å; T136-L160 HydrophobicContact CG2-CD1 4.16Å; T136-L160 HydrophobicContact CG2-CG 3.89Å; T136-L217 WeakPolarHBondContact O-CA 2.83Å; T136-R218 PolarHBondContact N-O 3.32Å; T136-R218 PolarHBondContact O-N 2.84Å; T136-R218 WeakPolarHBondContact OG1-CB 3.35Å; T136-W220 PolarHBondContact OG1-NE1 3.01Å
137G92.8Very high92.3Very high19 Ų1941.2 Ų41.220%0.19622%0.216CC..SBendtrans88.27.2-178.100000114.8A157 K216G137-A157 PolarHBondContact N-O 3.33Å; G137-K216 WeakPolarHBondContact CA-O 3.3Å
138C89.5Confident92.2Very high2 Ų240.9 Ų40.91%0.01421%0.214CC..  trans-128.4115.1167.952.70000110.5E143 T154 L217C138-E143 HydrophobicContact CB-CB 3.95Å; C138-T154 WeakPolarHBondContact O-CG2 3.31Å; C138-T154 WeakPolarHBondContact SG-CG2 3.37Å; C138-L217 HydrophobicContact CB-CD2 3.72Å
139H82.1Confident91.8Very high84 Ų8445.9 Ų45.939%0.38923%0.233SC..SBendtrans-84.9-18.8-173.2-71.8-79.7000112.4E143 Q156 D158H139-E143 PolarHBondContact N-OE2 2.9Å; H139-E143 VanDerWaalsContact N-OE2 3.09Å; H139-Q156 PolarHBondContact O-NE2 2.81Å; H139-Q156 VanDerWaalsContact O-NE2 3.08Å; H139-D158 IonicContact CD2-OD1 2.74Å; H139-D158 IonicContact CE1-OD1 2.76Å; H139-D158 IonicContact NE2-OD1 3.16Å; H139-D158 PolarHBondContact NE2-OD1 2.88Å; H139-D158 IonicContact NE2-OD2 2.73Å
140R82.7Confident91.5Very high164 Ų16449 Ų4962%0.61925%0.249SC*.SBendtrans-118.3132.3175.3-64178.3-67.3-178.1-0.3109.7A142 E143R140-A142 PolarHBondContact O-N 2.74Å; R140-E143 HydrophobicContact CB-CG 4.12Å; R140-E143 IonicContact CZ-OE1 3.12Å; R140-E143 PolarHBondContact N-OE2 3.09Å; R140-E143 IonicContact NE-OE1 2.63Å; R140-E143 PolarHBondContact NE-OE1 3.42Å; R140-E143 IonicContact NH2-OE1 3.63Å; R140-E143 PolarHBondContact NH2-OE1 3.25Å; R140-E143 WeakPolarHBondContact O-CB 3.26Å; R140-E143 PolarHBondContact O-N 3.33Å
141P76.4Confident91.4Very high90 Ų9050.5 Ų50.558%0.58426%0.258SS*.G310 helixtrans-54.8-25.7174.5-27.835.3000114.2E143 L144P141-E143 PolarHBondContact O-N 2.89Å; P141-L144 WeakPolarHBondContact O-CB 3.49Å; P141-L144 PolarHBondContact O-N 3.16Å
142A83.8Confident91.2Very high77 Ų7749.5 Ų49.564%0.63625%0.253SS*.G310 helixtrans-67.1-20.417600000114R140 L144R140-A142 PolarHBondContact O-N 2.74Å; A142-L144 VanDerWaalsContact C-N 3.33Å
143E86.9Confident91.1Very high79 Ų7952.2 Ų52.237%0.36926%0.263SS..G310 helixtrans-82.4-11.9177.4-65.5166.1-179.200112.5C138 H139 R140 P141C138-E143 HydrophobicContact CB-CB 3.95Å; H139-E143 PolarHBondContact N-OE2 2.9Å; H139-E143 VanDerWaalsContact N-OE2 3.09Å; R140-E143 HydrophobicContact CB-CG 4.12Å; R140-E143 IonicContact CZ-OE1 3.12Å; R140-E143 PolarHBondContact N-OE2 3.09Å; R140-E143 IonicContact NE-OE1 2.63Å; R140-E143 PolarHBondContact NE-OE1 3.42Å; R140-E143 IonicContact NH2-OE1 3.63Å; R140-E143 PolarHBondContact NH2-OE1 3.25Å; R140-E143 WeakPolarHBondContact O-CB 3.26Å; R140-E143 PolarHBondContact O-N 3.33Å; P141-E143 PolarHBondContact O-N 2.89Å
144L91.6Very high91Very high8 Ų851.8 Ų51.84%0.04227%0.265CS..SBendtrans-71.8131.6175.5-169.972000109.9V135 P141 A142 V146 E148 R149V135-L144 HydrophobicContact CB-CD1 4.48Å; V135-L144 HydrophobicContact CG1-CD1 3.71Å; V135-L144 HydrophobicContact CG2-CD1 4.21Å; P141-L144 WeakPolarHBondContact O-CB 3.49Å; P141-L144 PolarHBondContact O-N 3.16Å; A142-L144 VanDerWaalsContact C-N 3.33Å; L144-V146 PolarHBondContact O-N 3.28Å; L144-E148 HydrophobicContact CD1-CB 4.05Å; L144-E148 HydrophobicContact CD2-CB 4Å; L144-E148 HydrophobicContact CG-CB 3.88Å; L144-R149 HydrophobicContact CD2-CG 4.43Å
145P92.1Very high90.9Very high7 Ų752.1 Ų52.15%0.04527%0.267CS..  trans-50.6138173.5-28.535.5000111.3F147 E148 R149 V209 E213 L217P145-F147 PolarHBondContact O-N 2.81Å; P145-F147 VanDerWaalsContact O-N 3.11Å; P145-E148 PolarHBondContact O-N 2.85Å; P145-R149 PolarHBondContact O-N 3.38Å; P145-V209 HydrophobicContact CB-CG2 4.19Å; P145-V209 HydrophobicContact CG-CG1 4.01Å; P145-V209 HydrophobicContact CG-CG2 4.11Å; P145-E213 HydrophobicContact CG-CB 4.25Å; P145-E213 HydrophobicContact CG-CG 4.45Å; P145-L217 HydrophobicContact CG-CD1 3.93Å
146V91.9Very high90.7Very high98 Ų9859.4 Ų59.459%0.59430%0.301SS*.G310 helixtrans-57.5-33.9-173.2177.50000111.9L144 E148 R149L144-V146 PolarHBondContact O-N 3.28Å; V146-E148 VanDerWaalsContact C-N 3.27Å; V146-E148 PolarHBondContact O-N 2.94Å; V146-R149 WeakPolarHBondContact O-CB 3.19Å; V146-R149 PolarHBondContact O-N 3.3Å
147F91.4Very high90.5Very high126 Ų12660.1 Ų60.155%0.55331%0.307SS*.G310 helixtrans-74-9.7178.2-61.7-69.4000115P145 L151 L208P145-F147 PolarHBondContact O-N 2.81Å; P145-F147 VanDerWaalsContact O-N 3.11Å; F147-L151 VanDerWaalsContact O-CD1 3.26Å; F147-L151 WeakPolarHBondContact O-CD1 3.47Å; F147-L208 HydrophobicContact CB-CB 3.99Å; F147-L208 HydrophobicContact CB-CD1 3.97Å; F147-L208 HydrophobicContact CD1-CD1 3.62Å; F147-L208 HydrophobicContact CD2-CB 3.77Å; F147-L208 HydrophobicContact CD2-CD1 4.13Å; F147-L208 HydrophobicContact CE1-CD1 4.1Å; F147-L208 HydrophobicContact CE2-CB 4.45Å; F147-L208 HydrophobicContact CG-CB 3.91Å; F147-L208 HydrophobicContact CG-CD1 3.64Å; F147-L208 HydrophobicContact CG-CG 4.43Å
148E93.4Very high90.4Very high0 Ų064.3 Ų64.30%032%0.324CS..G310 helixtrans-100.8-9.5173.8-70.9-70.1177.900112.3R133 L144 P145 V146 N150 L151 S206 V209 F219R133-E148 IonicContact CZ-OE2 3.17Å; R133-E148 VanDerWaalsContact CZ-OE2 3.29Å; R133-E148 IonicContact NH1-OE2 3.19Å; R133-E148 PolarHBondContact NH1-OE2 3.25Å; R133-E148 IonicContact NH2-OE1 3.91Å; R133-E148 PolarHBondContact NH2-OE1 2.97Å; R133-E148 VanDerWaalsContact NH2-OE1 3.12Å; R133-E148 IonicContact NH2-OE2 2.82Å; R133-E148 PolarHBondContact NH2-OE2 2.97Å; L144-E148 HydrophobicContact CD1-CB 4.05Å; L144-E148 HydrophobicContact CD2-CB 4Å; L144-E148 HydrophobicContact CG-CB 3.88Å; P145-E148 PolarHBondContact O-N 2.85Å; V146-E148 VanDerWaalsContact C-N 3.27Å; V146-E148 PolarHBondContact O-N 2.94Å; E148-N150 PolarHBondContact O-N 3.25Å; E148-L151 PolarHBondContact O-N 2.64Å; E148-S206 WeakPolarHBondContact OE1-CA 3.26Å; E148-S206 WeakPolarHBondContact OE1-CB 3.5Å; E148-S206 PolarHBondContact OE1-N 3.44Å; E148-V209 HydrophobicContact CG-CG2 3.73Å; E148-F219 HydrophobicContact CG-CE1 4.15Å; E148-F219 HydrophobicContact CG-CZ 4.1Å
149R90.6Very high90.6Very high122 Ų12268.5 Ų68.546%0.4635%0.353SS..THydrogen-bonded Turntrans-59.5135.7177.1-68.5-178.4-179.5-170.20.9109.9L144 P145 V146 L151L144-R149 HydrophobicContact CD2-CG 4.43Å; P145-R149 PolarHBondContact O-N 3.38Å; V146-R149 WeakPolarHBondContact O-CB 3.19Å; V146-R149 PolarHBondContact O-N 3.3Å; R149-L151 PolarHBondContact O-N 2.89Å
150N93.5Very high91.2Very high76 Ų7665.1 Ų65.141%0.40634%0.338SS..THydrogen-bonded Turntrans58.220-175.7-52.5-48000114.3T23 H70 E148 H275T23-N150 HydrophobicContact CG2-CB 4.06Å; H70-N150 PolarHBondContact CE1-O 3Å; H70-N150 VanDerWaalsContact CE1-O 3.23Å; H70-N150 PolarHBondContact NE2-O 2.74Å; E148-N150 PolarHBondContact O-N 3.25Å; N150-H275 CarbonylContact C-O 3.59Å; N150-H275 HydrophobicContact CB-CB 4.02Å; N150-H275 WeakPolarHBondContact O-CB 3.36Å; N150-H275 VanDerWaalsContact O-O 3.06Å
151L95.6Very high92Very high49 Ų4961.5 Ų61.526%0.25733%0.331SS..SBendtrans-121-0.7173.7-59.5-177.7000113.3R133 F147 E148 R149 H275 F278R133-L151 WeakPolarHBondContact CB-O 3.31Å; R133-L151 WeakPolarHBondContact CD-O 3.49Å; R133-L151 PolarHBondContact NH1-O 3.1Å; F147-L151 VanDerWaalsContact O-CD1 3.26Å; F147-L151 WeakPolarHBondContact O-CD1 3.47Å; E148-L151 PolarHBondContact O-N 2.64Å; R149-L151 PolarHBondContact O-N 2.89Å; L151-H275 CarbonylContact C-O 3.57Å; L151-H275 WeakPolarHBondContact CA-O 3.24Å; L151-F278 HydrophobicContact CB-CZ 4.16Å; L151-F278 HydrophobicContact CD2-CE1 4.22Å; L151-F278 HydrophobicContact CD2-CZ 3.94Å; L151-F278 WeakPolarHBondContact O-CE2 3.43Å
152C95.7Very high93Very high2 Ų258.4 Ų58.41%0.01431%0.31CS..SBendtrans-157.2160.1176.961.60000110.2R133 V135 H275R133-C152 HydrophobicContact CB-CB 3.8Å; R133-C152 CarbonylContact O-C 3.58Å; R133-C152 VanDerWaalsContact O-CA 3.32Å; R133-C152 WeakPolarHBondContact O-CA 3.36Å; V135-C152 HydrophobicContact CG1-CB 4.47Å; V135-C152 VanDerWaalsContact CG1-SG 3.56Å; C152-H275 PolarHBondContact O-CD2 2.96Å; C152-H275 VanDerWaalsContact O-CD2 3.24Å; C152-H275 PolarHBondContact O-NE2 3.27Å
153W96.1Very high93.7Very high56 Ų5657.9 Ų57.921%0.21231%0.306CS..EExtended strand (participates in β ladder)trans-92.411617017915.6000110.1Y132 R133 L134 V135 L155 T238 V242 A272 P273Y132-W153 HydrophobicContact CE1-CB 3.7Å; Y132-W153 AromaticContact CE1-CE3 3.92Å; Y132-W153 HydrophobicContact CE1-CE3 3.92Å; R133-W153 PolarHBondContact O-N 3.2Å; L134-W153 WeakPolarHBondContact CA-O 3.26Å; L134-W153 HydrophobicContact CD2-CB 3.97Å; L134-W153 HydrophobicContact CD2-CD2 4.25Å; L134-W153 HydrophobicContact CD2-CE3 3.66Å; L134-W153 HydrophobicContact CD2-CG 4.43Å; V135-W153 PolarHBondContact N-O 2.81Å; W153-L155 HydrophobicContact CD2-CD2 3.67Å; W153-L155 HydrophobicContact CE3-CD2 4.08Å; W153-L155 HydrophobicContact CG-CD2 4.21Å; W153-L155 HydrophobicContact CH2-CD2 3.98Å; W153-L155 HydrophobicContact CZ2-CD2 3.55Å; W153-L155 HydrophobicContact CZ3-CD2 4.22Å; W153-T238 HydrophobicContact CE3-CG2 4.49Å; W153-T238 HydrophobicContact CZ3-CG2 4.39Å; W153-V242 HydrophobicContact CE3-CG2 4.29Å; W153-V242 HydrophobicContact CH2-CB 4.24Å; W153-V242 HydrophobicContact CH2-CG1 3.88Å; W153-V242 HydrophobicContact CH2-CG2 4.42Å; W153-V242 HydrophobicContact CZ3-CB 4.01Å; W153-V242 HydrophobicContact CZ3-CG1 4.03Å; W153-V242 HydrophobicContact CZ3-CG2 3.74Å; W153-A272 HydrophobicContact CE3-CB 3.82Å; W153-A272 HydrophobicContact CH2-CB 4.39Å; W153-A272 HydrophobicContact CZ3-CB 3.61Å; W153-P273 HydrophobicContact CB-CG 4.48Å; W153-P273 VanDerWaalsContact CD2-CD 3.4Å; W153-P273 HydrophobicContact CD2-CG 4Å; W153-P273 HydrophobicContact CG-CG 3.8Å
154T95.2Very high94.2Very high28 Ų2854.7 Ų54.717%0.17229%0.293CS..EExtended strand (participates in β ladder)trans-73.9123.2170.1-54.30000111.3V135 C138V135-T154 HydrophobicContact CG1-CG2 4.36Å; C138-T154 WeakPolarHBondContact O-CG2 3.31Å; C138-T154 WeakPolarHBondContact SG-CG2 3.37Å
155L94.7Very high94.6Very high7 Ų754.3 Ų54.34%0.03729%0.291CS..PPolyproline II helixtrans-103.1135.9173.8-58.3173.4000109.6L134 V135 T136 W153 A157 L160 V242L134-L155 HydrophobicContact CB-CD1 4.43Å; L134-L155 HydrophobicContact CD1-CD1 4.23Å; L134-L155 HydrophobicContact CD2-CD1 4.48Å; V135-L155 PolarHBondContact O-N 3.24Å; T136-L155 HydrophobicContact CG2-CB 4.08Å; T136-L155 HydrophobicContact CG2-CD1 4.11Å; W153-L155 HydrophobicContact CD2-CD2 3.67Å; W153-L155 HydrophobicContact CE3-CD2 4.08Å; W153-L155 HydrophobicContact CG-CD2 4.21Å; W153-L155 HydrophobicContact CH2-CD2 3.98Å; W153-L155 HydrophobicContact CZ2-CD2 3.55Å; W153-L155 HydrophobicContact CZ3-CD2 4.22Å; L155-A157 PolarHBondContact O-N 2.86Å; L155-L160 HydrophobicContact CD1-CD1 3.89Å; L155-L160 HydrophobicContact CD1-CD2 3.95Å; L155-L160 HydrophobicContact CD1-CG 4.34Å; L155-V242 HydrophobicContact CD1-CG1 3.87Å; L155-V242 HydrophobicContact CD1-CG2 4.31Å; L155-V242 HydrophobicContact CD2-CG1 3.7Å; L155-V242 HydrophobicContact CG-CG1 4.47Å
156Q92.2Very high94.9Very high154 Ų15458.1 Ų58.172%0.7231%0.308SS*.SBendtrans-78.367.2174.5-61.2-172-57.600110.2H139H139-Q156 PolarHBondContact O-NE2 2.81Å; H139-Q156 VanDerWaalsContact O-NE2 3.08Å
157A92.4Very high95.2Very high15 Ų1558.6 Ų58.612%0.12430%0.304CS..SBendtrans-154.1156.4178.900000109.3T136 G137 L155 L246T136-A157 VanDerWaalsContact CB-O 3.24Å; T136-A157 WeakPolarHBondContact CB-O 3.42Å; G137-A157 PolarHBondContact N-O 3.33Å; L155-A157 PolarHBondContact O-N 2.86Å; A157-L246 HydrophobicContact CB-CD2 3.5Å
158D91.1Very high95.5Very high106 Ų10652.6 Ų52.657%0.56728%0.277SS*.SBendtrans-83.3-39.5175.8-63.6-44.8000111.6T136 H139T136-D158 WeakPolarHBondContact CB-O 3.34Å; T136-D158 PolarHBondContact OG1-O 3.09Å; H139-D158 IonicContact CD2-OD1 2.74Å; H139-D158 IonicContact CE1-OD1 2.76Å; H139-D158 IonicContact NE2-OD1 3.16Å; H139-D158 PolarHBondContact NE2-OD1 2.88Å; H139-D158 IonicContact NE2-OD2 2.73Å
159C92.1Very high95.8Very high91 Ų9152.7 Ų52.762%0.61528%0.278SS*.  trans-139.2169.4-179.263.30000112.3
160L96.6Very high96.1Very high13 Ų1352.2 Ų52.27%0.06828%0.281CS..  trans-122.7144168.9-67.9172.4000108.6L134 T136 L155 V162 M165 W220 G245 L246L134-L160 HydrophobicContact CD1-CD1 3.97Å; T136-L160 HydrophobicContact CG2-CD1 4.16Å; T136-L160 HydrophobicContact CG2-CG 3.89Å; L155-L160 HydrophobicContact CD1-CD1 3.89Å; L155-L160 HydrophobicContact CD1-CD2 3.95Å; L155-L160 HydrophobicContact CD1-CG 4.34Å; L160-V162 VanDerWaalsContact C-N 3.29Å; L160-V162 HydrophobicContact CB-CG2 4.47Å; L160-V162 PolarHBondContact O-N 3.34Å; L160-M165 HydrophobicContact CB-SD 3.98Å; L160-M165 HydrophobicContact CD1-CE 4.41Å; L160-M165 HydrophobicContact CD1-SD 3.95Å; L160-M165 HydrophobicContact CG-SD 4.42Å; L160-W220 HydrophobicContact CD1-CG 4.16Å; L160-G245 WeakPolarHBondContact CA-O 3.22Å; L160-L246 HydrophobicContact CD2-CD2 3.72Å; L160-L246 HydrophobicContact CD2-CG 3.94Å
161D97.9Very high96.4Very high88 Ų8851.2 Ų51.247%0.47127%0.274SS..  trans-74.286.6165.2-170.2-20.6000109.7A163 A164 M165 G245D161-A163 VanDerWaalsContact C-N 3.28Å; D161-A163 PolarHBondContact O-N 3.33Å; D161-A163 PolarHBondContact OD1-N 3.26Å; D161-A164 HydrophobicContact CB-CB 3.95Å; D161-A164 PolarHBondContact O-N 3.22Å; D161-A164 WeakPolarHBondContact OD1-CB 3.44Å; D161-A164 PolarHBondContact OD1-N 3.23Å; D161-M165 VanDerWaalsContact O-CG 3.28Å; D161-M165 WeakPolarHBondContact O-CG 3.21Å; D161-M165 PolarHBondContact O-N 3.35Å; D161-G245 PolarHBondContact N-O 3.04Å
162V97.6Very high96.5Very high25 Ų2548.9 Ų48.915%0.15226%0.262CS..Hα-helixtrans-65.8-33.5-177.9178.70000111.6L160 M165 Q166 V200 W220L160-V162 VanDerWaalsContact C-N 3.29Å; L160-V162 HydrophobicContact CB-CG2 4.47Å; L160-V162 PolarHBondContact O-N 3.34Å; V162-M165 PolarHBondContact O-N 3.09Å; V162-Q166 HydrophobicContact CG1-CG 4.23Å; V162-Q166 WeakPolarHBondContact O-CB 3.49Å; V162-Q166 VanDerWaalsContact O-CG 3.24Å; V162-Q166 WeakPolarHBondContact O-CG 3.45Å; V162-Q166 PolarHBondContact O-N 3.28Å; V162-V200 HydrophobicContact CG1-CG1 4.22Å; V162-W220 HydrophobicContact CG2-CD2 4.29Å; V162-W220 HydrophobicContact CG2-CE3 3.71Å; V162-W220 HydrophobicContact CG2-CH2 3.72Å; V162-W220 HydrophobicContact CG2-CZ2 4.29Å; V162-W220 HydrophobicContact CG2-CZ3 3.42Å; V162-W220 VanDerWaalsContact CG2-CZ3 3.42Å
163A98.4Very high96.6Very high66 Ų6651.3 Ų51.355%0.54527%0.274SS..Hα-helixtrans-65.1-46.3178.800000110.2D161 M165 Q166 E167D161-A163 VanDerWaalsContact C-N 3.28Å; D161-A163 PolarHBondContact O-N 3.33Å; D161-A163 PolarHBondContact OD1-N 3.26Å; A163-M165 VanDerWaalsContact C-N 3.33Å; A163-M165 PolarHBondContact O-N 3.22Å; A163-Q166 PolarHBondContact O-N 2.92Å; A163-E167 PolarHBondContact O-N 3.24Å
164A98.6Very high96.7Very high11 Ų1150 Ų509%0.09128%0.278CS..Hα-helixtrans-61.2-40.317400000112.1D161 Q166 E167 A168 V244 P251D161-A164 HydrophobicContact CB-CB 3.95Å; D161-A164 PolarHBondContact O-N 3.22Å; D161-A164 WeakPolarHBondContact OD1-CB 3.44Å; D161-A164 PolarHBondContact OD1-N 3.23Å; A164-Q166 VanDerWaalsContact C-N 3.34Å; A164-Q166 PolarHBondContact O-N 2.93Å; A164-E167 PolarHBondContact O-N 3.33Å; A164-A168 VanDerWaalsContact O-CB 3.29Å; A164-A168 WeakPolarHBondContact O-CB 3.21Å; A164-A168 PolarHBondContact O-N 2.94Å; A164-V244 HydrophobicContact CB-CG1 3.78Å; A164-V244 WeakPolarHBondContact O-CG1 3.33Å; A164-P251 HydrophobicContact CB-CG 3.82Å
165M98.7Very high96.9Very high0 Ų052.7 Ų52.70%030%0.295CS..Hα-helixtrans-63.2-39174.8-68.4176.675.800112.7L134 L160 D161 V162 A163 A169 V200 L222 L241 G245L134-M165 HydrophobicContact CD1-CE 4.39Å; L160-M165 HydrophobicContact CB-SD 3.98Å; L160-M165 HydrophobicContact CD1-CE 4.41Å; L160-M165 HydrophobicContact CD1-SD 3.95Å; L160-M165 HydrophobicContact CG-SD 4.42Å; D161-M165 VanDerWaalsContact O-CG 3.28Å; D161-M165 WeakPolarHBondContact O-CG 3.21Å; D161-M165 PolarHBondContact O-N 3.35Å; V162-M165 PolarHBondContact O-N 3.09Å; A163-M165 VanDerWaalsContact C-N 3.33Å; A163-M165 PolarHBondContact O-N 3.22Å; M165-A169 WeakPolarHBondContact O-CB 3.24Å; M165-A169 PolarHBondContact O-N 3.24Å; M165-V200 HydrophobicContact CB-CB 4.48Å; M165-V200 HydrophobicContact CB-CG1 4.23Å; M165-V200 HydrophobicContact CB-CG2 4.15Å; M165-V200 HydrophobicContact CE-CG1 3.87Å; M165-V200 HydrophobicContact SD-CG1 4.2Å; M165-L222 HydrophobicContact CE-CD1 4.33Å; M165-L222 HydrophobicContact CE-CD2 4.15Å; M165-L241 HydrophobicContact CE-CB 4.2Å; M165-L241 WeakPolarHBondContact CG-O 3.4Å; M165-G245 VanDerWaalsContact CG-CA 3.46Å
166Q98.7Very high97.1Very high87 Ų8755.2 Ų55.241%0.40731%0.306SS..Hα-helixtrans-68.8-41.3177.8-75.1172.6-16.200111.7V162 A163 A164 A169 Q170 V200V162-Q166 HydrophobicContact CG1-CG 4.23Å; V162-Q166 WeakPolarHBondContact O-CB 3.49Å; V162-Q166 VanDerWaalsContact O-CG 3.24Å; V162-Q166 WeakPolarHBondContact O-CG 3.45Å; V162-Q166 PolarHBondContact O-N 3.28Å; A163-Q166 PolarHBondContact O-N 2.92Å; A164-Q166 VanDerWaalsContact C-N 3.34Å; A164-Q166 PolarHBondContact O-N 2.93Å; Q166-A169 PolarHBondContact O-N 3.2Å; Q166-Q170 WeakPolarHBondContact O-CG 3.3Å; Q166-Q170 PolarHBondContact O-N 3.17Å; Q166-Q170 PolarHBondContact O-NE2 3.24Å; Q166-V200 HydrophobicContact CG-CB 4.08Å; Q166-V200 PolarHBondContact NE2-O 3.3Å
167E98.7Very high97.3Very high109 Ų10949.8 Ų49.851%0.50928%0.282SS..Hα-helixtrans-59.1-50.5172.1-174.7-171.3154.700110.5A163 A164 A169 Q170 P251A163-E167 PolarHBondContact O-N 3.24Å; A164-E167 PolarHBondContact O-N 3.33Å; E167-A169 VanDerWaalsContact C-N 3.28Å; E167-A169 PolarHBondContact O-N 3.22Å; E167-Q170 WeakPolarHBondContact O-CB 3.04Å; E167-Q170 PolarHBondContact O-N 3.32Å; E167-Q170 VanDerWaalsContact O-N 3.08Å; E167-P251 HydrophobicContact CB-CB 4.02Å; E167-P251 HydrophobicContact CB-CG 4.33Å; E167-P251 HydrophobicContact CG-CB 3.81Å; E167-P251 HydrophobicContact CG-CG 4.41Å
168A98.6Very high97.6Very high0 Ų049 Ų490%028%0.276CS..Hα-helixtrans-58.9-38.6177.700000113A164 Q170 H171 L241 V244 P251 V254A164-A168 VanDerWaalsContact O-CB 3.29Å; A164-A168 WeakPolarHBondContact O-CB 3.21Å; A164-A168 PolarHBondContact O-N 2.94Å; A168-Q170 PolarHBondContact O-N 3.13Å; A168-H171 PolarHBondContact O-N 3.36Å; A168-L241 HydrophobicContact CB-CD2 3.73Å; A168-V244 HydrophobicContact CB-CB 4.37Å; A168-V244 HydrophobicContact CB-CG1 4.06Å; A168-V244 HydrophobicContact CB-CG2 4.01Å; A168-P251 HydrophobicContact CB-CB 4.11Å; A168-V254 HydrophobicContact CB-CB 4.35Å; A168-V254 HydrophobicContact CB-CG2 3.79Å
169A98.3Very high97.8Very high1 Ų145.3 Ų45.31%0.00826%0.258CS..Hα-helixtrans-62.8-29.5177.900000112.9M165 Q166 E167 H171 L172 V198 L241M165-A169 WeakPolarHBondContact O-CB 3.24Å; M165-A169 PolarHBondContact O-N 3.24Å; Q166-A169 PolarHBondContact O-N 3.2Å; E167-A169 VanDerWaalsContact C-N 3.28Å; E167-A169 PolarHBondContact O-N 3.22Å; A169-H171 PolarHBondContact O-N 3Å; A169-L172 WeakPolarHBondContact O-CB 3.36Å; A169-L172 PolarHBondContact O-N 3.21Å; A169-L172 VanDerWaalsContact O-N 3.09Å; A169-V198 HydrophobicContact CB-CB 4.2Å; A169-V198 HydrophobicContact CB-CG1 3.65Å; A169-L241 HydrophobicContact CB-CD2 4.26Å
170Q98.4Very high98Very high112 Ų11241 Ų4152%0.52323%0.229SC..Hα-helixtrans-62.2-33.5177.8-60.9-50.2-58.900112.2Q166 E167 A168 L172 L173Q166-Q170 WeakPolarHBondContact O-CG 3.3Å; Q166-Q170 PolarHBondContact O-N 3.17Å; Q166-Q170 PolarHBondContact O-NE2 3.24Å; E167-Q170 WeakPolarHBondContact O-CB 3.04Å; E167-Q170 PolarHBondContact O-N 3.32Å; E167-Q170 VanDerWaalsContact O-N 3.08Å; A168-Q170 PolarHBondContact O-N 3.13Å; Q170-L172 PolarHBondContact O-N 3.46Å; Q170-L173 PolarHBondContact O-N 3.04Å; Q170-L173 VanDerWaalsContact OE1-CD1 3.25Å
171H98.4Very high98Very high55 Ų5540.4 Ų40.426%0.25523%0.226SC..THydrogen-bonded Turntrans-66.2-19.6177.7-61.7-50.9000113.5A168 A169 P251 K255 L258A168-H171 PolarHBondContact O-N 3.36Å; A169-H171 PolarHBondContact O-N 3Å; H171-P251 PolarHBondContact CD2-O 3.39Å; H171-K255 HydrophobicContact CB-CB 4.13Å; H171-L258 VanDerWaalsContact O-CD2 3.3Å; H171-L258 WeakPolarHBondContact O-CD2 3.43Å
172L98.3Very high97.7Very high1 Ų137 Ų371%0.00521%0.207CC..THydrogen-bonded Turntrans-89.6-16.5179.3-57.4174.8000112.5A169 Q170 F178 F181 L195 V198 M237 L241 V254 L258A169-L172 WeakPolarHBondContact O-CB 3.36Å; A169-L172 PolarHBondContact O-N 3.21Å; A169-L172 VanDerWaalsContact O-N 3.09Å; Q170-L172 PolarHBondContact O-N 3.46Å; L172-F178 HydrophobicContact CD2-CE1 4.31Å; L172-F178 WeakPolarHBondContact O-CZ 3.22Å; L172-F181 HydrophobicContact CD2-CE2 3.76Å; L172-F181 HydrophobicContact CD2-CZ 3.75Å; L172-L195 HydrophobicContact CB-CD1 4.07Å; L172-L195 WeakPolarHBondContact O-CD1 3.41Å; L172-V198 HydrophobicContact CB-CG2 4.27Å; L172-M237 HydrophobicContact CD1-CB 4.3Å; L172-M237 HydrophobicContact CD1-CG 4.28Å; L172-M237 HydrophobicContact CD1-SD 4.17Å; L172-L241 HydrophobicContact CD1-CD1 4.31Å; L172-L241 HydrophobicContact CD1-CD2 4.33Å; L172-L241 HydrophobicContact CD1-CG 4.41Å; L172-V254 HydrophobicContact CD1-CG1 4.43Å; L172-V254 HydrophobicContact CD2-CG1 3.79Å; L172-V254 HydrophobicContact CG-CG1 4.03Å; L172-L258 HydrophobicContact CD2-CD2 4.45Å
173L98.3Very high97.3Very high52 Ų5236.3 Ų36.327%0.27220%0.203SC..SBendtrans-69.3144.4-178.5-72.2175.2000111.9Q170 H176 V198Q170-L173 PolarHBondContact O-N 3.04Å; Q170-L173 VanDerWaalsContact OE1-CD1 3.25Å; L173-H176 PolarHBondContact O-NE2 3.41Å; L173-V198 HydrophobicContact CD2-CB 4.17Å; L173-V198 HydrophobicContact CD2-CG2 4.04Å
174G98.3Very high96.5Very high29 Ų2936 Ų3630%0.29920%0.201SC..EExtended strand (participates in β ladder)trans94.5-161.9179.500000113.4T194 L195G174-T194 CarbonylContact O-C 3.53Å; G174-T194 VanDerWaalsContact O-CA 3.3Å; G174-T194 WeakPolarHBondContact O-CA 3.48Å; G174-L195 PolarHBondContact N-O 2.64Å; G174-L195 PolarHBondContact O-N 2.86Å
175T98.6Very high95.4Very high85 Ų8539.5 Ų39.552%0.52124%0.238SC..EExtended strand (participates in β ladder)trans-97.9117.3-173.2-57.30000110.9V192 R193 T194T175-V192 HydrophobicContact CG2-CG1 3.63Å; T175-R193 WeakPolarHBondContact CA-O 3.43Å; T175-T194 WeakPolarHBondContact OG1-CG2 3.46Å; T175-T194 PolarHBondContact OG1-OG1 3.08Å
176H98.3Very high94.4Very high59 Ų5940.8 Ų40.827%0.27325%0.247SC..EExtended strand (participates in β ladder)trans-141.9161-176.8-56.4-79.9000111.8L173 F178 V192 R193 L258L173-H176 PolarHBondContact O-NE2 3.41Å; H176-F178 HydrophobicContact CB-CD2 4.06Å; H176-F178 HydrophobicContact CB-CE2 3.7Å; H176-F178 HydrophobicContact CB-CZ 4.09Å; H176-F178 VanDerWaalsContact O-CD2 3.29Å; H176-F178 WeakPolarHBondContact O-CD2 3.37Å; H176-F178 PolarHBondContact O-N 2.96Å; H176-V192 CarbonylContact O-C 3.6Å; H176-V192 VanDerWaalsContact O-CA 3.25Å; H176-V192 WeakPolarHBondContact O-CA 3.27Å; H176-R193 PolarHBondContact N-O 3.48Å; H176-R193 PolarHBondContact O-N 3.45Å; H176-L258 HydrophobicContact CB-CD1 3.97Å; H176-L258 HydrophobicContact CB-CD2 3.97Å; H176-L258 HydrophobicContact CB-CG 4.23Å
177D97.5Very high93.2Very high40 Ų4042.9 Ų42.921%0.21427%0.268CS..EExtended strand (participates in β ladder)trans-75.1113.9160.1-169.4-42000109.2S179 P191 L258 Q261D177-S179 WeakPolarHBondContact OD1-CB 3.44Å; D177-S179 PolarHBondContact OD1-N 3.23Å; D177-S179 PolarHBondContact OD1-OG 3.14Å; D177-P191 VanDerWaalsContact CG-CG 3.49Å; D177-P191 WeakPolarHBondContact OD1-CB 3.44Å; D177-P191 VanDerWaalsContact OD1-CG 3.27Å; D177-P191 WeakPolarHBondContact OD1-CG 3.45Å; D177-P191 WeakPolarHBondContact OD2-CG 3.44Å; D177-L258 WeakPolarHBondContact O-CD1 3.25Å; D177-Q261 HydrophobicContact CB-CG 4.22Å
178F97.5Very high92.3Very high0 Ų039.9 Ų39.90%026%0.257CS..  trans-9723.2-178.8-77.4-86.6000113.5L172 H176 A180 F181 Q182 P191 R193 L195 L230 Q233 M237 L258L172-F178 HydrophobicContact CD2-CE1 4.31Å; L172-F178 WeakPolarHBondContact O-CZ 3.22Å; H176-F178 HydrophobicContact CB-CD2 4.06Å; H176-F178 HydrophobicContact CB-CE2 3.7Å; H176-F178 HydrophobicContact CB-CZ 4.09Å; H176-F178 VanDerWaalsContact O-CD2 3.29Å; H176-F178 WeakPolarHBondContact O-CD2 3.37Å; H176-F178 PolarHBondContact O-N 2.96Å; F178-A180 PolarHBondContact O-N 2.71Å; F178-F181 HydrophobicContact CD1-CB 4.5Å; F178-F181 AromaticContact CD1-CD2 3.77Å; F178-F181 HydrophobicContact CD1-CD2 3.77Å; F178-F181 HydrophobicContact CD1-CE2 4.46Å; F178-F181 HydrophobicContact CD1-CG 4.44Å; F178-F181 HydrophobicContact CE1-CD2 4.48Å; F178-F181 CarbonylContact O-C 3.52Å; F178-F181 WeakPolarHBondContact O-CA 3.16Å; F178-F181 PolarHBondContact O-N 3.48Å; F178-Q182 PolarHBondContact O-N 3.16Å; F178-P191 PolarHBondContact N-O 2.92Å; F178-P191 VanDerWaalsContact N-O 3.13Å; F178-R193 HydrophobicContact CD2-CB 3.75Å; F178-R193 HydrophobicContact CE2-CB 4.09Å; F178-R193 WeakPolarHBondContact CE2-O 3.37Å; F178-L195 HydrophobicContact CE1-CD1 3.8Å; F178-L195 HydrophobicContact CE1-CG 4.29Å; F178-L195 HydrophobicContact CE2-CG 4.16Å; F178-L195 HydrophobicContact CZ-CD1 3.58Å; F178-L195 HydrophobicContact CZ-CG 3.63Å; F178-L230 HydrophobicContact CB-CD1 3.61Å; F178-Q233 HydrophobicContact CB-CG 4.4Å; F178-Q233 HydrophobicContact CD1-CG 4.49Å; F178-M237 HydrophobicContact CD1-SD 4.16Å; F178-M237 HydrophobicContact CE1-SD 3.86Å; F178-L258 HydrophobicContact CD1-CD1 3.76Å; F178-L258 HydrophobicContact CE1-CD1 3.87Å; F178-L258 HydrophobicContact CG-CD1 4.28Å; F178-L258 HydrophobicContact CZ-CD1 4.47Å
179S95.8Very high91.3Very high28 Ų2846.5 Ų46.520%0.19630%0.3CS..G310 helixtrans-53.7-39.8179.5-67.10000112.7D177 F181 Q182 P191 Q261 P263D177-S179 WeakPolarHBondContact OD1-CB 3.44Å; D177-S179 PolarHBondContact OD1-N 3.23Å; D177-S179 PolarHBondContact OD1-OG 3.14Å; S179-F181 PolarHBondContact O-N 3.32Å; S179-F181 VanDerWaalsContact O-N 3.08Å; S179-Q182 PolarHBondContact O-N 2.87Å; S179-P191 WeakPolarHBondContact OG-CB 3.41Å; S179-P191 WeakPolarHBondContact OG-CG 3.13Å; S179-Q261 WeakPolarHBondContact CB-O 3.14Å; S179-P263 WeakPolarHBondContact O-CB 3.32Å
180A96.3Very high91.1Very high0 Ų048.7 Ų48.70%032%0.315CS..G310 helixtrans-57.7-25.9175.200000113.6F178 I257 Q268F178-A180 PolarHBondContact O-N 2.71Å; A180-I257 HydrophobicContact CB-CG2 4.31Å; A180-I257 WeakPolarHBondContact CB-O 3.33Å; A180-Q268 HydrophobicContact CB-CG 4.3Å; A180-Q268 WeakPolarHBondContact O-CB 3.42Å
181F96.4Very high90.9Very high0 Ų044.6 Ų44.60%030%0.299CS..G310 helixtrans-1034-179.7-62.1-79.1000113.2L172 F178 S179 Q233 R236 M237 V240 I257 L258L172-F181 HydrophobicContact CD2-CE2 3.76Å; L172-F181 HydrophobicContact CD2-CZ 3.75Å; F178-F181 HydrophobicContact CD1-CB 4.5Å; F178-F181 AromaticContact CD1-CD2 3.77Å; F178-F181 HydrophobicContact CD1-CD2 3.77Å; F178-F181 HydrophobicContact CD1-CE2 4.46Å; F178-F181 HydrophobicContact CD1-CG 4.44Å; F178-F181 HydrophobicContact CE1-CD2 4.48Å; F178-F181 CarbonylContact O-C 3.52Å; F178-F181 WeakPolarHBondContact O-CA 3.16Å; F178-F181 PolarHBondContact O-N 3.48Å; S179-F181 PolarHBondContact O-N 3.32Å; S179-F181 VanDerWaalsContact O-N 3.08Å; F181-Q233 HydrophobicContact CB-CG 3.93Å; F181-Q233 VanDerWaalsContact O-CA 3.22Å; F181-Q233 WeakPolarHBondContact O-CA 3.49Å; F181-R236 HydrophobicContact CB-CB 4.35Å; F181-R236 HydrophobicContact CD1-CB 4.19Å; F181-R236 WeakPolarHBondContact O-CD 3.24Å; F181-M237 HydrophobicContact CB-CG 4.07Å; F181-M237 HydrophobicContact CD1-CB 4.2Å; F181-M237 HydrophobicContact CD1-CG 3.46Å; F181-M237 VanDerWaalsContact CD1-CG 3.46Å; F181-M237 HydrophobicContact CD2-CG 4.31Å; F181-M237 HydrophobicContact CE1-CB 4.41Å; F181-M237 HydrophobicContact CE1-CG 3.89Å; F181-M237 HydrophobicContact CG-CG 3.68Å; F181-M237 HydrophobicContact CZ-CG 4.47Å; F181-V240 HydrophobicContact CE1-CB 4.08Å; F181-V240 HydrophobicContact CE1-CG1 4.42Å; F181-V240 HydrophobicContact CE1-CG2 3.81Å; F181-I257 HydrophobicContact CE1-CG2 4.22Å; F181-I257 HydrophobicContact CE2-CG2 4.19Å; F181-I257 HydrophobicContact CZ-CG2 3.7Å; F181-L258 HydrophobicContact CD2-CD1 4.03Å; F181-L258 HydrophobicContact CE2-CB 4.11Å; F181-L258 HydrophobicContact CE2-CD1 3.75Å
182Q93.1Very high90.9Very high18 Ų1845.1 Ų45.18%0.08431%0.305CS..SBendtrans-94.2150.2176.2174.1173.8-39.300111.3F178 S179 A184 S186 V188 L230 R236 P263F178-Q182 PolarHBondContact O-N 3.16Å; S179-Q182 PolarHBondContact O-N 2.87Å; Q182-A184 PolarHBondContact O-N 2.8Å; Q182-S186 PolarHBondContact NE2-O 3.19Å; Q182-S186 PolarHBondContact NE2-OG 2.93Å; Q182-S186 VanDerWaalsContact NE2-OG 3.1Å; Q182-V188 VanDerWaalsContact OE1-CG1 3.31Å; Q182-L230 HydrophobicContact CB-CB 4.03Å; Q182-L230 HydrophobicContact CB-CD1 3.89Å; Q182-L230 HydrophobicContact CG-CB 4.17Å; Q182-R236 VanDerWaalsContact O-CZ 3.29Å; Q182-R236 PolarHBondContact O-NH1 2.86Å; Q182-P263 WeakPolarHBondContact O-CB 3.2Å
183S88.1Confident90.8Very high9 Ų946.9 Ų46.96%0.06331%0.312CS..PPolyproline II helixtrans-67.8132.3167.2-55.70000111.4S186 Y231 R232S183-S186 WeakPolarHBondContact O-CB 3.33Å; S183-S186 PolarHBondContact O-N 2.96Å; S183-Y231 PolarHBondContact N-O 3.46Å; S183-Y231 VanDerWaalsContact N-O 3.09Å; S183-Y231 PolarHBondContact OG-O 2.98Å; S183-R232 WeakPolarHBondContact OG-CB 3.33Å; S183-R232 WeakPolarHBondContact OG-CD 3.42Å; S183-R232 VanDerWaalsContact OG-CG 3.3Å; S183-R232 WeakPolarHBondContact OG-CG 3.42Å
184A82.5Confident90.8Very high60 Ų6046.9 Ų46.950%0.49631%0.314SS..THydrogen-bonded Turntrans-52.9142.4177.500000112.1Q182 S186 P263 L264Q182-A184 PolarHBondContact O-N 2.8Å; A184-S186 VanDerWaalsContact C-N 3.31Å; A184-S186 PolarHBondContact O-N 2.91Å; A184-P263 HydrophobicContact CB-CG 4.37Å; A184-L264 HydrophobicContact CB-CD2 3.87Å
185G74.4Confident90.8Very high84 Ų8445.6 Ų45.687%0.86630%0.3SS*.THydrogen-bonded Turntrans76.94.6178.800000116
186S78.3Confident90.8Very high28 Ų2846.6 Ų46.620%0.19630%0.299CS..  trans-71.3128.1176.3152.20000111.6Q182 S183 A184 V188Q182-S186 PolarHBondContact NE2-O 3.19Å; Q182-S186 PolarHBondContact NE2-OG 2.93Å; Q182-S186 VanDerWaalsContact NE2-OG 3.1Å; S183-S186 WeakPolarHBondContact O-CB 3.33Å; S183-S186 PolarHBondContact O-N 2.96Å; A184-S186 VanDerWaalsContact C-N 3.31Å; A184-S186 PolarHBondContact O-N 2.91Å; S186-V188 VanDerWaalsContact C-N 3.26Å; S186-V188 PolarHBondContact O-N 3.32Å
187P74Confident90.8Very high131 Ų13148.9 Ų48.985%0.85131%0.305SS*.  trans-82.859.3-170.935.2-38000112.3
188V78.4Confident90.8Very high46 Ų4647.4 Ų47.428%0.27930%0.297SS..  trans-89.3137.3179.784.80000110.8Q182 S186 S190 L230Q182-V188 VanDerWaalsContact OE1-CG1 3.31Å; S186-V188 VanDerWaalsContact C-N 3.26Å; S186-V188 PolarHBondContact O-N 3.32Å; V188-S190 VanDerWaalsContact C-N 3.32Å; V188-S190 PolarHBondContact O-N 3.24Å; V188-L230 HydrophobicContact CB-CD2 4.42Å; V188-L230 HydrophobicContact CG1-CD2 4.1Å; V188-L230 HydrophobicContact CG2-CD2 3.9Å
189P78.9Confident90.8Very high138 Ų13848.7 Ų48.790%0.89631%0.306SS*.SBendtrans-65.8-31.8177.5-24.734.3000114.3
190S92.7Very high91Very high48 Ų4847.5 Ų47.534%0.33630%0.298SS..  trans-149.1134.1176.3172.80000109.6V188 V192 R193V188-S190 VanDerWaalsContact C-N 3.32Å; V188-S190 PolarHBondContact O-N 3.24Å; S190-V192 VanDerWaalsContact C-N 3.29Å; S190-V192 PolarHBondContact OG-N 2.99Å; S190-R193 PolarHBondContact O-NH1 2.9Å; S190-R193 PolarHBondContact O-NH2 3.06Å
191P95.2Very high91Very high26 Ų2649.7 Ų49.717%0.16931%0.313CS..  trans-82.8-3.7173.936-37.9000113D177 F178 S179 R193 L230D177-P191 VanDerWaalsContact CG-CG 3.49Å; D177-P191 WeakPolarHBondContact OD1-CB 3.44Å; D177-P191 VanDerWaalsContact OD1-CG 3.27Å; D177-P191 WeakPolarHBondContact OD1-CG 3.45Å; D177-P191 WeakPolarHBondContact OD2-CG 3.44Å; F178-P191 PolarHBondContact N-O 2.92Å; F178-P191 VanDerWaalsContact N-O 3.13Å; S179-P191 WeakPolarHBondContact OG-CB 3.41Å; S179-P191 WeakPolarHBondContact OG-CG 3.13Å; P191-R193 PolarHBondContact O-N 2.9Å; P191-L230 HydrophobicContact CB-CD1 4.09Å; P191-L230 WeakPolarHBondContact O-CD1 3.44Å
192V97.3Very high91Very high65 Ų6554.2 Ų54.239%0.39434%0.343SS..EExtended strand (participates in β ladder)trans-73.8123.6-176.8178.20000110.7T175 H176 S190T175-V192 HydrophobicContact CG2-CG1 3.63Å; H176-V192 CarbonylContact O-C 3.6Å; H176-V192 VanDerWaalsContact O-CA 3.25Å; H176-V192 WeakPolarHBondContact O-CA 3.27Å; S190-V192 VanDerWaalsContact C-N 3.29Å; S190-V192 PolarHBondContact OG-N 2.99Å
193R97.6Very high91Very high39 Ų3954.3 Ų54.315%0.14735%0.349CS..EExtended strand (participates in β ladder)trans-133.7156.9177.1-62.9-63.2-179.8-86.8-2.6110.5T175 H176 F178 S190 P191 S228 L230T175-R193 WeakPolarHBondContact CA-O 3.43Å; H176-R193 PolarHBondContact N-O 3.48Å; H176-R193 PolarHBondContact O-N 3.45Å; F178-R193 HydrophobicContact CD2-CB 3.75Å; F178-R193 HydrophobicContact CE2-CB 4.09Å; F178-R193 WeakPolarHBondContact CE2-O 3.37Å; S190-R193 PolarHBondContact O-NH1 2.9Å; S190-R193 PolarHBondContact O-NH2 3.06Å; P191-R193 PolarHBondContact O-N 2.9Å; R193-S228 VanDerWaalsContact CD-O 3.31Å; R193-S228 WeakPolarHBondContact CD-O 3.46Å; R193-S228 WeakPolarHBondContact CD-OG 3.32Å; R193-S228 PolarHBondContact NE-OG 3.06Å; R193-L230 HydrophobicContact CG-CD2 4.32Å; R193-L230 HydrophobicContact CG-CG 4.2Å; R193-L230 VanDerWaalsContact CZ-CD2 3.45Å
194T98.3Very high91.1Very high51 Ų5161.9 Ų61.931%0.31338%0.383SS..EExtended strand (participates in β ladder)trans-110.1113.7172.6-52.80000109G174 T175 S226G174-T194 CarbonylContact O-C 3.53Å; G174-T194 VanDerWaalsContact O-CA 3.3Å; G174-T194 WeakPolarHBondContact O-CA 3.48Å; T175-T194 WeakPolarHBondContact OG1-CG2 3.46Å; T175-T194 PolarHBondContact OG1-OG1 3.08Å; T194-S226 WeakPolarHBondContact O-CB 3.16Å; T194-S226 PolarHBondContact O-OG 3.23Å
195L98.3Very high91.5Very high3 Ų360.4 Ų60.42%0.01637%0.371CS..EExtended strand (participates in β ladder)trans-86.1119168.8-67.2-172.9000108.9L172 G174 F178 V198 F229 M237L172-L195 HydrophobicContact CB-CD1 4.07Å; L172-L195 WeakPolarHBondContact O-CD1 3.41Å; G174-L195 PolarHBondContact N-O 2.64Å; G174-L195 PolarHBondContact O-N 2.86Å; F178-L195 HydrophobicContact CE1-CD1 3.8Å; F178-L195 HydrophobicContact CE1-CG 4.29Å; F178-L195 HydrophobicContact CE2-CG 4.16Å; F178-L195 HydrophobicContact CZ-CD1 3.58Å; F178-L195 HydrophobicContact CZ-CG 3.63Å; L195-V198 HydrophobicContact CB-CG2 4.24Å; L195-V198 HydrophobicContact CD1-CG2 3.58Å; L195-V198 HydrophobicContact CG-CG2 4.47Å; L195-F229 HydrophobicContact CD2-CD1 4.22Å; L195-F229 HydrophobicContact CD2-CE1 3.54Å; L195-F229 HydrophobicContact CD2-CZ 4.25Å; L195-M237 HydrophobicContact CD1-CE 4.01Å; L195-M237 HydrophobicContact CD1-SD 3.66Å; L195-M237 HydrophobicContact CD2-CE 4.5Å
196H98Very high92.2Very high106 Ų10657.8 Ų57.849%0.49134%0.339SS..EExtended strand (participates in β ladder)trans-84.2-29.8176.5-58.9-56.6000111.7E225H196-E225 PolarHBondContact N-O 3.29Å
197R98.2Very high92.9Very high106 Ų10662.7 Ų62.740%0.437%0.37SS..EExtended strand (participates in β ladder)trans-146.1138178.1-170.1176.5171.8-157.2-9.8111S199 E223 F224 E225R197-S199 PolarHBondContact NE-OG 3.35Å; R197-S199 PolarHBondContact NH2-OG 3.15Å; R197-S199 VanDerWaalsContact NH2-OG 3.08Å; R197-E223 IonicContact CZ-OE2 2.88Å; R197-E223 IonicContact NH1-OE2 3.83Å; R197-E223 PolarHBondContact NH1-OE2 3.1Å; R197-E223 IonicContact NH2-OE2 2.93Å; R197-E223 PolarHBondContact NH2-OE2 3.42Å; R197-E223 VanDerWaalsContact NH2-OE2 3.17Å; R197-F224 CarbonylContact O-C 3.41Å; R197-F224 WeakPolarHBondContact O-CA 3.41Å; R197-E225 HydrophobicContact CB-CB 3.64Å; R197-E225 PolarHBondContact N-O 3.36Å; R197-E225 PolarHBondContact O-N 3.24Å
198V98.2Very high93.8Very high9 Ų961.2 Ų61.26%0.05536%0.355CS..EExtended strand (participates in β ladder)trans-138.1118162.1-172.90000105.9A169 L172 L173 L195 E223 F224 L241A169-V198 HydrophobicContact CB-CB 4.2Å; A169-V198 HydrophobicContact CB-CG1 3.65Å; L172-V198 HydrophobicContact CB-CG2 4.27Å; L173-V198 HydrophobicContact CD2-CB 4.17Å; L173-V198 HydrophobicContact CD2-CG2 4.04Å; L195-V198 HydrophobicContact CB-CG2 4.24Å; L195-V198 HydrophobicContact CD1-CG2 3.58Å; L195-V198 HydrophobicContact CG-CG2 4.47Å; V198-E223 CarbonylContact C-O 3.52Å; V198-E223 VanDerWaalsContact CA-O 3.26Å; V198-E223 WeakPolarHBondContact CA-O 3.36Å; V198-F224 HydrophobicContact CB-CD1 4.46Å; V198-F224 HydrophobicContact CG1-CD1 3.82Å; V198-F224 HydrophobicContact CG1-CE1 3.65Å; V198-F224 HydrophobicContact CG1-CZ 4.49Å; V198-F224 HydrophobicContact CG2-CD1 4.03Å; V198-L241 HydrophobicContact CG1-CD1 4.24Å
199S97.8Very high94.3Very high27 Ų2759.7 Ų59.719%0.18935%0.346CS..EExtended strand (participates in β ladder)trans-135.4140.617961.90000111.2R197 L222 E223R197-S199 PolarHBondContact NE-OG 3.35Å; R197-S199 PolarHBondContact NH2-OG 3.15Å; R197-S199 VanDerWaalsContact NH2-OG 3.08Å; S199-L222 CarbonylContact O-C 3.55Å; S199-L222 VanDerWaalsContact O-CA 3.24Å; S199-L222 WeakPolarHBondContact O-CA 3.44Å; S199-E223 PolarHBondContact N-O 3.4Å; S199-E223 PolarHBondContact O-N 3.02Å
200V98.4Very high94.9Very high4 Ų456.4 Ų56.42%0.02432%0.323CS..EExtended strand (participates in β ladder)trans-117124.2172.5-170.30000107.3V162 M165 Q166 S221 L222V162-V200 HydrophobicContact CG1-CG1 4.22Å; M165-V200 HydrophobicContact CB-CB 4.48Å; M165-V200 HydrophobicContact CB-CG1 4.23Å; M165-V200 HydrophobicContact CB-CG2 4.15Å; M165-V200 HydrophobicContact CE-CG1 3.87Å; M165-V200 HydrophobicContact SD-CG1 4.2Å; Q166-V200 HydrophobicContact CG-CB 4.08Å; Q166-V200 PolarHBondContact NE2-O 3.3Å; V200-S221 WeakPolarHBondContact CA-O 3.43Å; V200-L222 HydrophobicContact CB-CG 4.5Å; V200-L222 HydrophobicContact CG1-CD1 4.24Å; V200-L222 HydrophobicContact CG1-CG 4.19Å; V200-L222 HydrophobicContact CG2-CD2 4.3Å; V200-L222 HydrophobicContact CG2-CG 4.05Å
201S97.3Very high94.7Very high45 Ų4558.9 Ų58.932%0.31534%0.338SS..EExtended strand (participates in β ladder)trans-144.1161.2-178.162.40000111.7G203 W220 S221S201-G203 PolarHBondContact O-N 2.93Å; S201-W220 WeakPolarHBondContact O-CA 3.46Å; S201-S221 PolarHBondContact N-O 3.03Å; S201-S221 PolarHBondContact O-N 3.45Å
202P96.3Very high94.4Very high96 Ų9664.1 Ų64.162%0.62336%0.36SS*.EExtended strand (participates in β ladder)trans-51.7135.3165.1-24.434000110.7W220P202-W220 HydrophobicContact CB-CZ3 4.35Å; P202-W220 HydrophobicContact CG-CZ3 4.13Å
203G93.4Very high93.9Very high20 Ų2064.6 Ų64.621%0.20636%0.358CS..  trans-99.3169.1173.900000111S201 F219S201-G203 PolarHBondContact O-N 2.93Å; G203-F219 PolarHBondContact N-O 3.07Å
204Q90.1Very high93.3Very high168 Ų16865 Ų6579%0.78537%0.367SS*.  trans-107.8142.5174-64.4179.61.700110.2R133R133-Q204 PolarHBondContact NH2-O 2.76Å
205A89.7Confident92.8Very high29 Ų2971.8 Ų71.824%0.2439%0.387CS..  trans-64.8150.316400000109.8V209 F219A205-V209 HydrophobicContact CB-CB 3.94Å; A205-V209 HydrophobicContact CB-CG1 4.29Å; A205-V209 HydrophobicContact CB-CG2 4.04Å; A205-F219 HydrophobicContact CB-CD2 3.85Å; A205-F219 HydrophobicContact CB-CE2 3.53Å; A205-F219 HydrophobicContact CB-CZ 4.14Å
206S90.1Very high92.3Very high28 Ų2878.9 Ų78.920%0.19642%0.417CS..  trans-56.2146.9165.21700000110.5E148 L208 V209E148-S206 WeakPolarHBondContact OE1-CA 3.26Å; E148-S206 WeakPolarHBondContact OE1-CB 3.5Å; E148-S206 PolarHBondContact OE1-N 3.44Å; S206-L208 PolarHBondContact O-N 3.1Å; S206-L208 PolarHBondContact OG-N 3.48Å; S206-V209 WeakPolarHBondContact O-CB 3.46Å; S206-V209 PolarHBondContact O-N 2.9Å
207P92.5Very high92.1Very high131 Ų13174.3 Ų74.385%0.85140%0.397SS*.THydrogen-bonded Turntrans-60.8-10.4173.627.4-37000113.4
208L92.7Very high91.9Very high101 Ų10175.9 Ų75.953%0.52940%0.403SS..THydrogen-bonded Turntrans-88.1-3175.6-56.2178.2000113.5F147 S206F147-L208 HydrophobicContact CB-CB 3.99Å; F147-L208 HydrophobicContact CB-CD1 3.97Å; F147-L208 HydrophobicContact CD1-CD1 3.62Å; F147-L208 HydrophobicContact CD2-CB 3.77Å; F147-L208 HydrophobicContact CD2-CD1 4.13Å; F147-L208 HydrophobicContact CE1-CD1 4.1Å; F147-L208 HydrophobicContact CE2-CB 4.45Å; F147-L208 HydrophobicContact CG-CB 3.91Å; F147-L208 HydrophobicContact CG-CD1 3.64Å; F147-L208 HydrophobicContact CG-CG 4.43Å; S206-L208 PolarHBondContact O-N 3.1Å; S206-L208 PolarHBondContact OG-N 3.48Å
209V90.3Very high91.8Very high14 Ų1476.1 Ų76.19%0.08540%0.403CS..SBendtrans-87.1124.8173.3-179.30000108.5P145 E148 A205 S206 E213 L217P145-V209 HydrophobicContact CB-CG2 4.19Å; P145-V209 HydrophobicContact CG-CG1 4.01Å; P145-V209 HydrophobicContact CG-CG2 4.11Å; E148-V209 HydrophobicContact CG-CG2 3.73Å; A205-V209 HydrophobicContact CB-CB 3.94Å; A205-V209 HydrophobicContact CB-CG1 4.29Å; A205-V209 HydrophobicContact CB-CG2 4.04Å; S206-V209 WeakPolarHBondContact O-CB 3.46Å; S206-V209 PolarHBondContact O-N 2.9Å; V209-E213 HydrophobicContact CG1-CB 3.77Å; V209-L217 HydrophobicContact CG1-CD1 4.5Å
210T90Very high91.8Very high68 Ų6876.3 Ų76.342%0.41740%0.399SS..  trans-66.6154.4-179.364.70000111.2E212 E213 S214T210-E212 PolarHBondContact O-N 3.07Å; T210-E213 WeakPolarHBondContact CB-OE2 3.11Å; T210-E213 WeakPolarHBondContact CG2-OE2 3.32Å; T210-E213 PolarHBondContact N-OE2 2.83Å; T210-E213 PolarHBondContact O-N 3.14Å; T210-E213 WeakPolarHBondContact OG1-CB 3.37Å; T210-E213 VanDerWaalsContact OG1-CD 3.27Å; T210-E213 VanDerWaalsContact OG1-CG 3.23Å; T210-E213 WeakPolarHBondContact OG1-CG 3.38Å; T210-E213 PolarHBondContact OG1-N 2.92Å; T210-E213 PolarHBondContact OG1-OE2 2.67Å; T210-S214 WeakPolarHBondContact O-CB 3.48Å; T210-S214 PolarHBondContact O-N 3.35Å
211P89.1Confident91.8Very high101 Ų10177 Ų7766%0.65641%0.405SS*.Hα-helixtrans-56.3-32.1175.1-27.235.5000113.5R215P211-R215 WeakPolarHBondContact O-CG 3.3Å; P211-R215 PolarHBondContact O-N 2.83Å
212E87.9Confident91.9Very high136 Ų13675 Ų7564%0.63639%0.39SS*.Hα-helixtrans-69.9-46.1178.4-172.3178.917300112.2T210 S214 R215T210-E212 PolarHBondContact O-N 3.07Å; E212-S214 VanDerWaalsContact C-N 3.35Å; E212-R215 PolarHBondContact O-N 3.07Å
213E87.1Confident92Very high74 Ų7471.4 Ų71.435%0.34637%0.365SS..Hα-helixtrans-62.6-44174.3-69.2164.7133.500110.8P145 V209 T210 R215 K216 L217P145-E213 HydrophobicContact CG-CB 4.25Å; P145-E213 HydrophobicContact CG-CG 4.45Å; V209-E213 HydrophobicContact CG1-CB 3.77Å; T210-E213 WeakPolarHBondContact CB-OE2 3.11Å; T210-E213 WeakPolarHBondContact CG2-OE2 3.32Å; T210-E213 PolarHBondContact N-OE2 2.83Å; T210-E213 PolarHBondContact O-N 3.14Å; T210-E213 WeakPolarHBondContact OG1-CB 3.37Å; T210-E213 VanDerWaalsContact OG1-CD 3.27Å; T210-E213 VanDerWaalsContact OG1-CG 3.23Å; T210-E213 WeakPolarHBondContact OG1-CG 3.38Å; T210-E213 PolarHBondContact OG1-N 2.92Å; T210-E213 PolarHBondContact OG1-OE2 2.67Å; E213-R215 VanDerWaalsContact C-N 3.27Å; E213-R215 PolarHBondContact O-N 2.7Å; E213-K216 PolarHBondContact O-N 3Å; E213-K216 VanDerWaalsContact O-N 3.15Å; E213-L217 WeakPolarHBondContact O-CG 3.2Å; E213-L217 PolarHBondContact O-N 2.86Å
214S86.4Confident92.2Very high47 Ų4770.4 Ų70.433%0.32936%0.355SS..Hα-helixtrans-61.6-30.1-177.8-169.50000113.3T210 E212 K216 L217T210-S214 WeakPolarHBondContact O-CB 3.48Å; T210-S214 PolarHBondContact O-N 3.35Å; E212-S214 VanDerWaalsContact C-N 3.35Å; S214-K216 PolarHBondContact O-N 3Å; S214-L217 PolarHBondContact O-N 2.9Å
215R87.1Confident92.6Very high195 Ų19564.8 Ų64.874%0.73633%0.329SS*.Hα-helixtrans-61.4-32.3177-77.4171.9-167168.93.8113.4P211 E212 E213P211-R215 WeakPolarHBondContact O-CG 3.3Å; P211-R215 PolarHBondContact O-N 2.83Å; E212-R215 PolarHBondContact O-N 3.07Å; E213-R215 VanDerWaalsContact C-N 3.27Å; E213-R215 PolarHBondContact O-N 2.7Å
216K88.1Confident93.1Very high151 Ų15163.5 Ų63.566%0.65732%0.318SS*.Hα-helixtrans-87-24.2-179-62.3178.4-175.6170.80112.1G137 E213 S214G137-K216 WeakPolarHBondContact CA-O 3.3Å; E213-K216 PolarHBondContact O-N 3Å; E213-K216 VanDerWaalsContact O-N 3.15Å; S214-K216 PolarHBondContact O-N 3Å
217L93.3Very high93.4Very high11 Ų1167.1 Ų67.16%0.05833%0.332CS..  trans-95147.2-174.4-59.2175.9000111.5V135 T136 C138 P145 V209 E213 S214 F219V135-L217 HydrophobicContact CG2-CB 4.16Å; V135-L217 HydrophobicContact CG2-CD2 4.03Å; V135-L217 HydrophobicContact CG2-CG 4.49Å; T136-L217 WeakPolarHBondContact O-CA 2.83Å; C138-L217 HydrophobicContact CB-CD2 3.72Å; P145-L217 HydrophobicContact CG-CD1 3.93Å; V209-L217 HydrophobicContact CG1-CD1 4.5Å; E213-L217 WeakPolarHBondContact O-CG 3.2Å; E213-L217 PolarHBondContact O-N 2.86Å; S214-L217 PolarHBondContact O-N 2.9Å; L217-F219 HydrophobicContact CB-CD2 4.4Å; L217-F219 HydrophobicContact CB-CE2 3.75Å; L217-F219 HydrophobicContact CB-CZ 4.4Å; L217-F219 HydrophobicContact CD1-CE2 4.11Å; L217-F219 HydrophobicContact CD1-CZ 4.07Å
218R94.8Very high93.5Very high139 Ų13962.9 Ų62.953%0.52531%0.305SS..EExtended strand (participates in β ladder)trans-127.6118.6170-66-79.6-170.4-95.5-1.2107.7V135 T136 W220V135-R218 CarbonylContact C-O 3.57Å; V135-R218 VanDerWaalsContact CA-O 3.3Å; V135-R218 WeakPolarHBondContact CA-O 3.46Å; T136-R218 PolarHBondContact N-O 3.32Å; T136-R218 PolarHBondContact O-N 2.84Å; T136-R218 WeakPolarHBondContact OG1-CB 3.35Å; R218-W220 HydrophobicContact CB-CZ2 3.91Å
219F95.8Very high93.7Very high13 Ų1359.8 Ų59.86%0.05729%0.288CS..EExtended strand (participates in β ladder)trans-95.6148177.7-69.1-92.4000110.3L134 V135 E148 G203 A205 L217L134-F219 WeakPolarHBondContact O-CA 3.34Å; V135-F219 HydrophobicContact CB-CD1 4.01Å; V135-F219 HydrophobicContact CB-CE1 3.96Å; V135-F219 HydrophobicContact CG2-CD1 4.07Å; V135-F219 HydrophobicContact CG2-CE1 3.82Å; V135-F219 HydrophobicContact CG2-CE2 4.27Å; V135-F219 HydrophobicContact CG2-CG 4.43Å; V135-F219 HydrophobicContact CG2-CZ 3.93Å; E148-F219 HydrophobicContact CG-CE1 4.15Å; E148-F219 HydrophobicContact CG-CZ 4.1Å; G203-F219 PolarHBondContact N-O 3.07Å; A205-F219 HydrophobicContact CB-CD2 3.85Å; A205-F219 HydrophobicContact CB-CE2 3.53Å; A205-F219 HydrophobicContact CB-CZ 4.14Å; L217-F219 HydrophobicContact CB-CD2 4.4Å; L217-F219 HydrophobicContact CB-CE2 3.75Å; L217-F219 HydrophobicContact CB-CZ 4.4Å; L217-F219 HydrophobicContact CD1-CE2 4.11Å; L217-F219 HydrophobicContact CD1-CZ 4.07Å
220W97.5Very high94Very high31 Ų3159.6 Ų59.612%0.11729%0.286CS..EExtended strand (participates in β ladder)trans-136.2147.2176.8-4596.4000110.5R133 L134 T136 L160 V162 S201 P202 R218R133-W220 WeakPolarHBondContact CA-O 3.34Å; L134-W220 HydrophobicContact CB-CB 4.1Å; L134-W220 HydrophobicContact CD1-CB 4.41Å; L134-W220 PolarHBondContact N-O 3.09Å; L134-W220 PolarHBondContact O-N 2.77Å; T136-W220 PolarHBondContact OG1-NE1 3.01Å; L160-W220 HydrophobicContact CD1-CG 4.16Å; V162-W220 HydrophobicContact CG2-CD2 4.29Å; V162-W220 HydrophobicContact CG2-CE3 3.71Å; V162-W220 HydrophobicContact CG2-CH2 3.72Å; V162-W220 HydrophobicContact CG2-CZ2 4.29Å; V162-W220 HydrophobicContact CG2-CZ3 3.42Å; V162-W220 VanDerWaalsContact CG2-CZ3 3.42Å; S201-W220 WeakPolarHBondContact O-CA 3.46Å; P202-W220 HydrophobicContact CB-CZ3 4.35Å; P202-W220 HydrophobicContact CG-CZ3 4.13Å; R218-W220 HydrophobicContact CB-CZ2 3.91Å
221S98.2Very high94.2Very high20 Ų2061.4 Ų61.414%0.1429%0.286CS..EExtended strand (participates in β ladder)trans-121.1127.5179.1-69.90000109.5Y132 V200 S201Y132-S221 WeakPolarHBondContact O-CA 3.3Å; V200-S221 WeakPolarHBondContact CA-O 3.43Å; S201-S221 PolarHBondContact N-O 3.03Å; S201-S221 PolarHBondContact O-N 3.45Å
222L98.8Very high94.5Very high1 Ų160.9 Ų60.91%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-111.5120.9168.8-69.976000108.7L131 Y132 L134 M165 S199 V200 F224 T238 L241L131-L222 CarbonylContact C-O 3.55Å; L131-L222 WeakPolarHBondContact CA-O 3.33Å; Y132-L222 PolarHBondContact N-O 3.15Å; Y132-L222 PolarHBondContact O-N 3.47Å; L134-L222 HydrophobicContact CD1-CD1 3.41Å; L134-L222 VanDerWaalsContact CD1-CD1 3.41Å; L134-L222 HydrophobicContact CG-CD1 3.88Å; M165-L222 HydrophobicContact CE-CD1 4.33Å; M165-L222 HydrophobicContact CE-CD2 4.15Å; S199-L222 CarbonylContact O-C 3.55Å; S199-L222 VanDerWaalsContact O-CA 3.24Å; S199-L222 WeakPolarHBondContact O-CA 3.44Å; V200-L222 HydrophobicContact CB-CG 4.5Å; V200-L222 HydrophobicContact CG1-CD1 4.24Å; V200-L222 HydrophobicContact CG1-CG 4.19Å; V200-L222 HydrophobicContact CG2-CD2 4.3Å; V200-L222 HydrophobicContact CG2-CG 4.05Å; L222-F224 HydrophobicContact CB-CE2 3.69Å; L222-F224 HydrophobicContact CB-CZ 4.14Å; L222-F224 HydrophobicContact CD2-CE2 4.4Å; L222-F224 HydrophobicContact CD2-CZ 4.1Å; L222-T238 HydrophobicContact CD2-CG2 4.34Å; L222-L241 HydrophobicContact CD2-CB 4.15Å; L222-L241 HydrophobicContact CD2-CD1 3.86Å
223E98.7Very high95Very high21 Ų2154.4 Ų54.410%0.09824%0.241CC..EExtended strand (participates in β ladder)trans-108.9136.1175-63.8-165.5163.500111.2Y130 L131 R197 V198 S199 K280Y130-E223 CarbonylContact O-C 3.55Å; Y130-E223 VanDerWaalsContact O-CA 3.26Å; Y130-E223 WeakPolarHBondContact O-CA 3.5Å; L131-E223 HydrophobicContact CD1-CG 3.94Å; R197-E223 IonicContact CZ-OE2 2.88Å; R197-E223 IonicContact NH1-OE2 3.83Å; R197-E223 PolarHBondContact NH1-OE2 3.1Å; R197-E223 IonicContact NH2-OE2 2.93Å; R197-E223 PolarHBondContact NH2-OE2 3.42Å; R197-E223 VanDerWaalsContact NH2-OE2 3.17Å; V198-E223 CarbonylContact C-O 3.52Å; V198-E223 VanDerWaalsContact CA-O 3.26Å; V198-E223 WeakPolarHBondContact CA-O 3.36Å; S199-E223 PolarHBondContact N-O 3.4Å; S199-E223 PolarHBondContact O-N 3.02Å; E223-K280 IonicContact OE1-NZ 3.82Å; E223-K280 PolarHBondContact OE1-NZ 3.27Å; E223-K280 IonicContact OE2-NZ 3.86Å
224F98.8Very high95.5Very high0 Ų051.2 Ų51.20%023%0.227CC..EExtended strand (participates in β ladder)trans-127.5124.2177-55.8-96.3000108.9T129 Y130 R197 V198 L222 F229 V234 M237 L241T129-F224 CarbonylContact C-O 3.48Å; T129-F224 WeakPolarHBondContact CA-O 3.48Å; Y130-F224 PolarHBondContact N-O 3.08Å; Y130-F224 PolarHBondContact O-N 3.09Å; R197-F224 CarbonylContact O-C 3.41Å; R197-F224 WeakPolarHBondContact O-CA 3.41Å; V198-F224 HydrophobicContact CB-CD1 4.46Å; V198-F224 HydrophobicContact CG1-CD1 3.82Å; V198-F224 HydrophobicContact CG1-CE1 3.65Å; V198-F224 HydrophobicContact CG1-CZ 4.49Å; V198-F224 HydrophobicContact CG2-CD1 4.03Å; L222-F224 HydrophobicContact CB-CE2 3.69Å; L222-F224 HydrophobicContact CB-CZ 4.14Å; L222-F224 HydrophobicContact CD2-CE2 4.4Å; L222-F224 HydrophobicContact CD2-CZ 4.1Å; F224-F229 HydrophobicContact CB-CE1 3.99Å; F224-F229 HydrophobicContact CB-CZ 4.06Å; F224-V234 HydrophobicContact CB-CG1 4.45Å; F224-V234 HydrophobicContact CB-CG2 4.43Å; F224-V234 HydrophobicContact CD2-CG1 3.48Å; F224-V234 VanDerWaalsContact CD2-CG1 3.48Å; F224-V234 HydrophobicContact CE2-CG1 3.8Å; F224-V234 HydrophobicContact CG-CG1 4.01Å; F224-M237 HydrophobicContact CD1-CE 3.52Å; F224-M237 HydrophobicContact CD1-SD 4.46Å; F224-M237 HydrophobicContact CE1-CB 3.89Å; F224-M237 HydrophobicContact CE1-CE 3.87Å; F224-M237 HydrophobicContact CE1-SD 4.46Å; F224-M237 HydrophobicContact CG-CE 4.25Å; F224-M237 HydrophobicContact CZ-CB 4.34Å; F224-L241 HydrophobicContact CE1-CD1 4.08Å; F224-L241 HydrophobicContact CZ-CD1 4.01Å
225E98.8Very high96.1Very high49 Ų4950.3 Ų50.323%0.22922%0.216CC..EExtended strand (participates in β ladder)trans-120.9128.6178.4-168179.7167.800111.1S127 R128 H196 R197S127-E225 VanDerWaalsContact OG-CD 3.31Å; S127-E225 WeakPolarHBondContact OG-CG 3.08Å; S127-E225 PolarHBondContact OG-OE1 3.04Å; R128-E225 WeakPolarHBondContact O-CA 3.31Å; H196-E225 PolarHBondContact N-O 3.29Å; R197-E225 HydrophobicContact CB-CB 3.64Å; R197-E225 PolarHBondContact N-O 3.36Å; R197-E225 PolarHBondContact O-N 3.24Å
226S98.4Very high96.6Very high2 Ų241.8 Ų41.81%0.01418%0.184CC..EExtended strand (participates in β ladder)trans-157.1157.1174.2-175.10000110.1R128 T194 S228 F229R128-S226 PolarHBondContact N-O 3.23Å; R128-S226 PolarHBondContact O-N 2.76Å; R128-S226 VanDerWaalsContact O-N 3.1Å; T194-S226 WeakPolarHBondContact O-CB 3.16Å; T194-S226 PolarHBondContact O-OG 3.23Å; S226-S228 PolarHBondContact O-N 3.45Å; S226-S228 PolarHBondContact OG-N 3.36Å; S226-S228 PolarHBondContact OG-O 3.11Å; S226-F229 VanDerWaalsContact CB-CZ 3.47Å
227Q96.7Very high97.1Very high104 Ų10434.6 Ų34.649%0.48615%0.152SC..SBendtrans-58-36.2165.4-170.5-179.5-11.600111.5A125 R128A125-Q227 WeakPolarHBondContact O-CG 3.48Å; R128-Q227 PolarHBondContact NH1-O 3.12Å
228S95.4Very high97.4Very high42 Ų4234.1 Ų34.129%0.29415%0.15SC..  trans-156.7157.6177.166.90000113.3R193 S226R193-S228 VanDerWaalsContact CD-O 3.31Å; R193-S228 WeakPolarHBondContact CD-O 3.46Å; R193-S228 WeakPolarHBondContact CD-OG 3.32Å; R193-S228 PolarHBondContact NE-OG 3.06Å; S226-S228 PolarHBondContact O-N 3.45Å; S226-S228 PolarHBondContact OG-N 3.36Å; S226-S228 PolarHBondContact OG-O 3.11Å
229F96.9Very high97.6Very high36 Ų3628 Ų2816%0.15813%0.129CC..  trans-126.1151.5179.4-62.8-90.7000111R128 Y130 L195 F224 S226 Q233 V234 M237R128-F229 HydrophobicContact CB-CD2 4.49Å; R128-F229 HydrophobicContact CB-CE2 4.1Å; R128-F229 WeakPolarHBondContact O-CE2 3.3Å; Y130-F229 AromaticContact CD2-CD2 3.82Å; Y130-F229 HydrophobicContact CD2-CD2 3.82Å; Y130-F229 AromaticContact CD2-CE2 3.59Å; Y130-F229 HydrophobicContact CD2-CE2 3.59Å; Y130-F229 HydrophobicContact CD2-CZ 4.09Å; Y130-F229 AromaticContact CE2-CD2 3.58Å; Y130-F229 HydrophobicContact CE2-CD2 3.58Å; Y130-F229 AromaticContact CE2-CE2 3.79Å; Y130-F229 HydrophobicContact CE2-CE2 3.79Å; Y130-F229 HydrophobicContact CE2-CG 4.32Å; L195-F229 HydrophobicContact CD2-CD1 4.22Å; L195-F229 HydrophobicContact CD2-CE1 3.54Å; L195-F229 HydrophobicContact CD2-CZ 4.25Å; F224-F229 HydrophobicContact CB-CE1 3.99Å; F224-F229 HydrophobicContact CB-CZ 4.06Å; S226-F229 VanDerWaalsContact CB-CZ 3.47Å; F229-Q233 VanDerWaalsContact CA-OE1 3.28Å; F229-Q233 HydrophobicContact CB-CB 4.35Å; F229-V234 HydrophobicContact CD1-CG2 3.46Å; F229-V234 VanDerWaalsContact CD1-CG2 3.46Å; F229-V234 HydrophobicContact CE1-CG2 3.65Å; F229-V234 HydrophobicContact CG-CG2 3.92Å; F229-V234 HydrophobicContact CZ-CG2 4.26Å; F229-M237 HydrophobicContact CD1-CE 4.46Å; F229-M237 HydrophobicContact CE1-CE 4.35Å
230L96.4Very high97.7Very high11 Ų1127.3 Ų27.36%0.05813%0.126CC..  trans-76.4164.6170.8-51.3172.8000110.8F178 Q182 V188 P191 R193 R232 Q233F178-L230 HydrophobicContact CB-CD1 3.61Å; Q182-L230 HydrophobicContact CB-CB 4.03Å; Q182-L230 HydrophobicContact CB-CD1 3.89Å; Q182-L230 HydrophobicContact CG-CB 4.17Å; V188-L230 HydrophobicContact CB-CD2 4.42Å; V188-L230 HydrophobicContact CG1-CD2 4.1Å; V188-L230 HydrophobicContact CG2-CD2 3.9Å; P191-L230 HydrophobicContact CB-CD1 4.09Å; P191-L230 WeakPolarHBondContact O-CD1 3.44Å; R193-L230 HydrophobicContact CG-CD2 4.32Å; R193-L230 HydrophobicContact CG-CG 4.2Å; R193-L230 VanDerWaalsContact CZ-CD2 3.45Å; L230-R232 PolarHBondContact O-N 3.47Å; L230-R232 VanDerWaalsContact O-N 3.14Å; L230-Q233 HydrophobicContact CB-CB 4.03Å; L230-Q233 HydrophobicContact CB-CG 4.45Å; L230-Q233 WeakPolarHBondContact O-CB 3.49Å; L230-Q233 PolarHBondContact O-N 3.37Å
231Y94.6Very high97.7Very high105 Ų10525.9 Ų25.941%0.41212%0.12SC..THydrogen-bonded Turntrans-61.8118.6179.4-179.4-133000111.2D66 S183 Q233D66-Y231 WeakPolarHBondContact OD1-CE2 3.19Å; S183-Y231 PolarHBondContact N-O 3.46Å; S183-Y231 VanDerWaalsContact N-O 3.09Å; S183-Y231 PolarHBondContact OG-O 2.98Å; Y231-Q233 VanDerWaalsContact C-N 3.26Å; Y231-Q233 PolarHBondContact O-N 3.3Å
232R95.8Very high97.8Very high90 Ų9025.1 Ų25.134%0.3412%0.115SC..THydrogen-bonded Turntrans65.111.3-173.9-50.3-166.3178.5163.4-6.5116.6D66 S183 L230 V234 R235 R236 V271D66-R232 WeakPolarHBondContact OD2-CG 3.46Å; S183-R232 WeakPolarHBondContact OG-CB 3.33Å; S183-R232 WeakPolarHBondContact OG-CD 3.42Å; S183-R232 VanDerWaalsContact OG-CG 3.3Å; S183-R232 WeakPolarHBondContact OG-CG 3.42Å; L230-R232 PolarHBondContact O-N 3.47Å; L230-R232 VanDerWaalsContact O-N 3.14Å; R232-V234 PolarHBondContact O-N 2.93Å; R232-R235 PolarHBondContact O-N 3.09Å; R232-R235 VanDerWaalsContact O-N 3.16Å; R232-R236 PolarHBondContact O-N 3.39Å; R232-V271 HydrophobicContact CB-CG1 4.49Å
233Q97.5Very high97.7Very high1 Ų125.4 Ų25.41%0.00512%0.117CC..Hα-helixtrans-51-53.6-177-163.9-173.5-18.400113.3F178 F181 F229 L230 Y231 R235 R236 M237F178-Q233 HydrophobicContact CB-CG 4.4Å; F178-Q233 HydrophobicContact CD1-CG 4.49Å; F181-Q233 HydrophobicContact CB-CG 3.93Å; F181-Q233 VanDerWaalsContact O-CA 3.22Å; F181-Q233 WeakPolarHBondContact O-CA 3.49Å; F229-Q233 VanDerWaalsContact CA-OE1 3.28Å; F229-Q233 HydrophobicContact CB-CB 4.35Å; L230-Q233 HydrophobicContact CB-CB 4.03Å; L230-Q233 HydrophobicContact CB-CG 4.45Å; L230-Q233 WeakPolarHBondContact O-CB 3.49Å; L230-Q233 PolarHBondContact O-N 3.37Å; Y231-Q233 VanDerWaalsContact C-N 3.26Å; Y231-Q233 PolarHBondContact O-N 3.3Å; Q233-R235 VanDerWaalsContact C-N 3.32Å; Q233-R235 PolarHBondContact O-N 3.34Å; Q233-R236 PolarHBondContact O-N 3.44Å; Q233-M237 HydrophobicContact CG-CE 4Å; Q233-M237 HydrophobicContact CG-SD 4.22Å; Q233-M237 WeakPolarHBondContact O-CG 3.25Å; Q233-M237 PolarHBondContact O-N 3.4Å
234V98.4Very high97.7Very high7 Ų724.5 Ų24.54%0.04211%0.113CC..Hα-helixtrans-59.9-41.9-177.5179.20000112Y130 F224 F229 R232 M237 T238 L277Y130-V234 HydrophobicContact CD2-CG2 3.89Å; Y130-V234 HydrophobicContact CE2-CG2 4.45Å; Y130-V234 HydrophobicContact CG-CG1 4.45Å; Y130-V234 HydrophobicContact CG-CG2 4.06Å; F224-V234 HydrophobicContact CB-CG1 4.45Å; F224-V234 HydrophobicContact CB-CG2 4.43Å; F224-V234 HydrophobicContact CD2-CG1 3.48Å; F224-V234 VanDerWaalsContact CD2-CG1 3.48Å; F224-V234 HydrophobicContact CE2-CG1 3.8Å; F224-V234 HydrophobicContact CG-CG1 4.01Å; F229-V234 HydrophobicContact CD1-CG2 3.46Å; F229-V234 VanDerWaalsContact CD1-CG2 3.46Å; F229-V234 HydrophobicContact CE1-CG2 3.65Å; F229-V234 HydrophobicContact CG-CG2 3.92Å; F229-V234 HydrophobicContact CZ-CG2 4.26Å; R232-V234 PolarHBondContact O-N 2.93Å; V234-M237 HydrophobicContact CG2-CE 4.35Å; V234-T238 WeakPolarHBondContact O-CB 3.12Å; V234-T238 PolarHBondContact O-N 2.92Å; V234-T238 PolarHBondContact O-OG1 2.84Å; V234-L277 HydrophobicContact CB-CD1 4.45Å; V234-L277 HydrophobicContact CB-CD2 4.43Å; V234-L277 HydrophobicContact CG1-CD1 3.62Å; V234-L277 HydrophobicContact CG1-CD2 4.39Å
235R98.4Very high97.7Very high28 Ų2824.7 Ų24.711%0.10612%0.116CC..Hα-helixtrans-71.1-32.7-178.6-62.9172.558.3-164.70.1112.4D66 R232 Q233 A239 V271 A272 L277D66-R235 IonicContact OD2-CZ 3.52Å; D66-R235 IonicContact OD2-NH1 2.74Å; D66-R235 PolarHBondContact OD2-NH1 2.87Å; R232-R235 PolarHBondContact O-N 3.09Å; R232-R235 VanDerWaalsContact O-N 3.16Å; Q233-R235 VanDerWaalsContact C-N 3.32Å; Q233-R235 PolarHBondContact O-N 3.34Å; R235-A239 PolarHBondContact O-N 3.48Å; R235-A239 VanDerWaalsContact O-N 3.09Å; R235-V271 HydrophobicContact CB-CG1 3.67Å; R235-V271 VanDerWaalsContact CZ-CG1 3.48Å; R235-A272 HydrophobicContact CB-CB 4.32Å; R235-A272 VanDerWaalsContact CZ-O 3.23Å; R235-A272 PolarHBondContact NE-O 2.97Å; R235-A272 PolarHBondContact NH2-O 3.48Å; R235-A272 WeakPolarHBondContact O-CB 3.46Å; R235-A272 PolarHBondContact O-N 3.17Å; R235-A272 VanDerWaalsContact O-N 3.12Å; R235-L277 HydrophobicContact CG-CD2 3.59Å
236R98.1Very high97.6Very high16 Ų1626.5 Ų26.56%0.0613%0.127CC..Hα-helixtrans-73.9-44.1174.8-75.9176.6162.3-124.4-3.6111.4F181 Q182 R232 Q233 T238 A239 V240 P263 Q268 V271F181-R236 HydrophobicContact CB-CB 4.35Å; F181-R236 HydrophobicContact CD1-CB 4.19Å; F181-R236 WeakPolarHBondContact O-CD 3.24Å; Q182-R236 VanDerWaalsContact O-CZ 3.29Å; Q182-R236 PolarHBondContact O-NH1 2.86Å; R232-R236 PolarHBondContact O-N 3.39Å; Q233-R236 PolarHBondContact O-N 3.44Å; R236-T238 VanDerWaalsContact C-N 3.3Å; R236-T238 PolarHBondContact O-N 3.25Å; R236-A239 PolarHBondContact O-N 2.9Å; R236-V240 PolarHBondContact O-N 3.09Å; R236-V240 VanDerWaalsContact O-N 3.09Å; R236-P263 PolarHBondContact NH1-O 3.04Å; R236-Q268 PolarHBondContact NE-O 3.34Å; R236-Q268 PolarHBondContact NH1-O 3.5Å; R236-V271 HydrophobicContact CG-CG2 4.1Å
237M98.6Very high97.6Very high0 Ų029.6 Ų29.60%016%0.158CC..Hα-helixtrans-58.6-44.3172.2-69.1-173.6-57.100111.2L172 F178 F181 L195 F224 F229 Q233 V234 A239 V240 L241L172-M237 HydrophobicContact CD1-CB 4.3Å; L172-M237 HydrophobicContact CD1-CG 4.28Å; L172-M237 HydrophobicContact CD1-SD 4.17Å; F178-M237 HydrophobicContact CD1-SD 4.16Å; F178-M237 HydrophobicContact CE1-SD 3.86Å; F181-M237 HydrophobicContact CB-CG 4.07Å; F181-M237 HydrophobicContact CD1-CB 4.2Å; F181-M237 HydrophobicContact CD1-CG 3.46Å; F181-M237 VanDerWaalsContact CD1-CG 3.46Å; F181-M237 HydrophobicContact CD2-CG 4.31Å; F181-M237 HydrophobicContact CE1-CB 4.41Å; F181-M237 HydrophobicContact CE1-CG 3.89Å; F181-M237 HydrophobicContact CG-CG 3.68Å; F181-M237 HydrophobicContact CZ-CG 4.47Å; L195-M237 HydrophobicContact CD1-CE 4.01Å; L195-M237 HydrophobicContact CD1-SD 3.66Å; L195-M237 HydrophobicContact CD2-CE 4.5Å; F224-M237 HydrophobicContact CD1-CE 3.52Å; F224-M237 HydrophobicContact CD1-SD 4.46Å; F224-M237 HydrophobicContact CE1-CB 3.89Å; F224-M237 HydrophobicContact CE1-CE 3.87Å; F224-M237 HydrophobicContact CE1-SD 4.46Å; F224-M237 HydrophobicContact CG-CE 4.25Å; F224-M237 HydrophobicContact CZ-CB 4.34Å; F229-M237 HydrophobicContact CD1-CE 4.46Å; F229-M237 HydrophobicContact CE1-CE 4.35Å; Q233-M237 HydrophobicContact CG-CE 4Å; Q233-M237 HydrophobicContact CG-SD 4.22Å; Q233-M237 WeakPolarHBondContact O-CG 3.25Å; Q233-M237 PolarHBondContact O-N 3.4Å; V234-M237 HydrophobicContact CG2-CE 4.35Å; M237-A239 PolarHBondContact O-N 3.26Å; M237-V240 PolarHBondContact O-N 3.03Å; M237-L241 WeakPolarHBondContact O-CG 3.37Å; M237-L241 PolarHBondContact O-N 3.22Å
238T98.7Very high97.6Very high0 Ų027.5 Ų27.50%016%0.159CC..Hα-helixtrans-57.7-45.9174.9-60.70000111.7Y132 W153 L222 V234 R236 V240 L241 V242 A272Y132-T238 HydrophobicContact CD1-CG2 3.67Å; Y132-T238 HydrophobicContact CD2-CG2 3.85Å; Y132-T238 HydrophobicContact CE1-CG2 3.88Å; Y132-T238 HydrophobicContact CE2-CG2 4.07Å; Y132-T238 HydrophobicContact CG-CG2 3.67Å; W153-T238 HydrophobicContact CE3-CG2 4.49Å; W153-T238 HydrophobicContact CZ3-CG2 4.39Å; L222-T238 HydrophobicContact CD2-CG2 4.34Å; V234-T238 WeakPolarHBondContact O-CB 3.12Å; V234-T238 PolarHBondContact O-N 2.92Å; V234-T238 PolarHBondContact O-OG1 2.84Å; R236-T238 VanDerWaalsContact C-N 3.3Å; R236-T238 PolarHBondContact O-N 3.25Å; T238-V240 VanDerWaalsContact C-N 3.32Å; T238-V240 PolarHBondContact O-N 2.81Å; T238-L241 PolarHBondContact O-N 2.93Å; T238-V242 HydrophobicContact CG2-CG2 4.36Å; T238-V242 WeakPolarHBondContact O-CB 3.19Å; T238-V242 WeakPolarHBondContact O-CG2 3.49Å; T238-V242 PolarHBondContact O-N 2.75Å; T238-A272 HydrophobicContact CG2-CB 3.86Å
239A98.4Very high97.8Very high10 Ų1026 Ų268%0.08315%0.148CC..Hα-helixtrans-62.2-38.1179.500000112.7R235 R236 M237 A243 R270 A272R235-A239 PolarHBondContact O-N 3.48Å; R235-A239 VanDerWaalsContact O-N 3.09Å; R236-A239 PolarHBondContact O-N 2.9Å; M237-A239 PolarHBondContact O-N 3.26Å; A239-A243 PolarHBondContact O-N 3.02Å; A239-R270 HydrophobicContact CB-CB 4.22Å; A239-A272 HydrophobicContact CB-CB 4.39Å
240V98.5Very high97.8Very high0 Ų026.7 Ų26.70%016%0.16CC..Hα-helixtrans-69.1-45.7175.8170.10000111.3F181 R236 M237 T238 V242 A243 V244 L249 V254 I257 H267F181-V240 HydrophobicContact CE1-CB 4.08Å; F181-V240 HydrophobicContact CE1-CG1 4.42Å; F181-V240 HydrophobicContact CE1-CG2 3.81Å; R236-V240 PolarHBondContact O-N 3.09Å; R236-V240 VanDerWaalsContact O-N 3.09Å; M237-V240 PolarHBondContact O-N 3.03Å; T238-V240 VanDerWaalsContact C-N 3.32Å; T238-V240 PolarHBondContact O-N 2.81Å; V240-V242 VanDerWaalsContact C-N 3.32Å; V240-V242 PolarHBondContact O-N 2.84Å; V240-A243 WeakPolarHBondContact O-CB 3.14Å; V240-A243 PolarHBondContact O-N 3.29Å; V240-A243 VanDerWaalsContact O-N 3.11Å; V240-V244 PolarHBondContact O-N 2.88Å; V240-L249 HydrophobicContact CG1-CD1 4.08Å; V240-V254 HydrophobicContact CG1-CG1 4.29Å; V240-V254 HydrophobicContact CG1-CG2 3.69Å; V240-I257 HydrophobicContact CG1-CD1 4.05Å; V240-H267 HydrophobicContact CG2-CB 4.39Å
241L98.6Very high97.9Very high0 Ų027.1 Ų27.10%016%0.163CC..Hα-helixtrans-62.6-39.3176.6-67.7175.1000111.6M165 A168 A169 L172 V198 L222 F224 M237 T238 A243 V244 G245M165-L241 HydrophobicContact CE-CB 4.2Å; M165-L241 WeakPolarHBondContact CG-O 3.4Å; A168-L241 HydrophobicContact CB-CD2 3.73Å; A169-L241 HydrophobicContact CB-CD2 4.26Å; L172-L241 HydrophobicContact CD1-CD1 4.31Å; L172-L241 HydrophobicContact CD1-CD2 4.33Å; L172-L241 HydrophobicContact CD1-CG 4.41Å; V198-L241 HydrophobicContact CG1-CD1 4.24Å; L222-L241 HydrophobicContact CD2-CB 4.15Å; L222-L241 HydrophobicContact CD2-CD1 3.86Å; F224-L241 HydrophobicContact CE1-CD1 4.08Å; F224-L241 HydrophobicContact CZ-CD1 4.01Å; M237-L241 WeakPolarHBondContact O-CG 3.37Å; M237-L241 PolarHBondContact O-N 3.22Å; T238-L241 PolarHBondContact O-N 2.93Å; L241-A243 VanDerWaalsContact C-N 3.33Å; L241-A243 PolarHBondContact O-N 3.32Å; L241-V244 WeakPolarHBondContact O-CB 3.27Å; L241-V244 PolarHBondContact O-N 2.78Å; L241-G245 PolarHBondContact O-N 2.7Å
242V98.4Very high98.1Very high4 Ų425 Ų252%0.02417%0.167CC..Hα-helixtrans-63.3-39.3173166.90000111.5L134 W153 L155 T238 V240 V244 G245 L246L134-V242 HydrophobicContact CD1-CG2 3.63Å; L134-V242 HydrophobicContact CD2-CG2 4.09Å; W153-V242 HydrophobicContact CE3-CG2 4.29Å; W153-V242 HydrophobicContact CH2-CB 4.24Å; W153-V242 HydrophobicContact CH2-CG1 3.88Å; W153-V242 HydrophobicContact CH2-CG2 4.42Å; W153-V242 HydrophobicContact CZ3-CB 4.01Å; W153-V242 HydrophobicContact CZ3-CG1 4.03Å; W153-V242 HydrophobicContact CZ3-CG2 3.74Å; L155-V242 HydrophobicContact CD1-CG1 3.87Å; L155-V242 HydrophobicContact CD1-CG2 4.31Å; L155-V242 HydrophobicContact CD2-CG1 3.7Å; L155-V242 HydrophobicContact CG-CG1 4.47Å; T238-V242 HydrophobicContact CG2-CG2 4.36Å; T238-V242 WeakPolarHBondContact O-CB 3.19Å; T238-V242 WeakPolarHBondContact O-CG2 3.49Å; T238-V242 PolarHBondContact O-N 2.75Å; V240-V242 VanDerWaalsContact C-N 3.32Å; V240-V242 PolarHBondContact O-N 2.84Å; V242-V244 VanDerWaalsContact C-N 3.26Å; V242-V244 PolarHBondContact O-N 2.91Å; V242-G245 PolarHBondContact O-N 3.12Å; V242-L246 HydrophobicContact CG1-CD1 3.77Å; V242-L246 HydrophobicContact CG1-CG 4.26Å; V242-L246 WeakPolarHBondContact O-CB 3.39Å; V242-L246 VanDerWaalsContact O-CG 3.29Å; V242-L246 WeakPolarHBondContact O-CG 3.46Å; V242-L246 PolarHBondContact O-N 2.83Å
243A98.4Very high98.2Very high7 Ų725 Ų256%0.05817%0.171CC..Hα-helixtrans-62.3-34.4174.600000112.3A239 V240 L241 G247 A248 L249A239-A243 PolarHBondContact O-N 3.02Å; V240-A243 WeakPolarHBondContact O-CB 3.14Å; V240-A243 PolarHBondContact O-N 3.29Å; V240-A243 VanDerWaalsContact O-N 3.11Å; L241-A243 VanDerWaalsContact C-N 3.33Å; L241-A243 PolarHBondContact O-N 3.32Å; A243-G247 PolarHBondContact O-N 3.36Å; A243-A248 HydrophobicContact CB-CB 4.4Å; A243-A248 WeakPolarHBondContact O-CA 3.33Å; A243-A248 WeakPolarHBondContact O-CB 3.16Å; A243-A248 PolarHBondContact O-N 2.99Å; A243-L249 HydrophobicContact CB-CD1 3.89Å; A243-L249 HydrophobicContact CB-CG 4.15Å; A243-L249 PolarHBondContact O-N 2.63Å
244V98.6Very high98.2Very high2 Ų225 Ų251%0.01217%0.171CC..Hα-helixtrans-65.7-49.5170.6175.30000111.2A164 A168 V240 L241 V242 L246 G247 L249 P251 V254A164-V244 HydrophobicContact CB-CG1 3.78Å; A164-V244 WeakPolarHBondContact O-CG1 3.33Å; A168-V244 HydrophobicContact CB-CB 4.37Å; A168-V244 HydrophobicContact CB-CG1 4.06Å; A168-V244 HydrophobicContact CB-CG2 4.01Å; V240-V244 PolarHBondContact O-N 2.88Å; L241-V244 WeakPolarHBondContact O-CB 3.27Å; L241-V244 PolarHBondContact O-N 2.78Å; V242-V244 VanDerWaalsContact C-N 3.26Å; V242-V244 PolarHBondContact O-N 2.91Å; V244-L246 PolarHBondContact O-N 2.64Å; V244-L246 VanDerWaalsContact O-N 3.16Å; V244-G247 PolarHBondContact O-N 3.22Å; V244-L249 WeakPolarHBondContact CA-O 3.45Å; V244-L249 HydrophobicContact CG2-CB 3.75Å; V244-P251 HydrophobicContact CG1-CG 4.02Å; V244-V254 HydrophobicContact CG2-CG2 3.7Å
245G98.3Very high98.2Very high5 Ų529.4 Ų29.45%0.05219%0.19CC..Hα-helixtrans-62.1-24.218000000114.2L160 D161 M165 L241 V242L160-G245 WeakPolarHBondContact CA-O 3.22Å; D161-G245 PolarHBondContact N-O 3.04Å; M165-G245 VanDerWaalsContact CG-CA 3.46Å; L241-G245 PolarHBondContact O-N 2.7Å; V242-G245 PolarHBondContact O-N 3.12Å
246L97.3Very high98.1Very high87 Ų8732.4 Ų32.446%0.45521%0.211SC..THydrogen-bonded Turntrans-89.52.9173.6-65.9173.3000113.5A157 L160 V242 V244 A248A157-L246 HydrophobicContact CB-CD2 3.5Å; L160-L246 HydrophobicContact CD2-CD2 3.72Å; L160-L246 HydrophobicContact CD2-CG 3.94Å; V242-L246 HydrophobicContact CG1-CD1 3.77Å; V242-L246 HydrophobicContact CG1-CG 4.26Å; V242-L246 WeakPolarHBondContact O-CB 3.39Å; V242-L246 VanDerWaalsContact O-CG 3.29Å; V242-L246 WeakPolarHBondContact O-CG 3.46Å; V242-L246 PolarHBondContact O-N 2.83Å; V244-L246 PolarHBondContact O-N 2.64Å; V244-L246 VanDerWaalsContact O-N 3.16Å; L246-A248 PolarHBondContact O-N 2.97Å
247G97.6Very high98.1Very high66 Ų6632.3 Ų32.368%0.6821%0.212SC*.THydrogen-bonded Turntrans73.49.1-179.300000115.1A243 V244 L249A243-G247 PolarHBondContact O-N 3.36Å; V244-G247 PolarHBondContact O-N 3.22Å; G247-L249 VanDerWaalsContact C-N 3.33Å
248A97.4Very high98.1Very high60 Ų6032.7 Ų32.750%0.49621%0.214SC..SBendtrans-81.2-14.3178.400000113.3A243 L246A243-A248 HydrophobicContact CB-CB 4.4Å; A243-A248 WeakPolarHBondContact O-CA 3.33Å; A243-A248 WeakPolarHBondContact O-CB 3.16Å; A243-A248 PolarHBondContact O-N 2.99Å; L246-A248 PolarHBondContact O-N 2.97Å
249L97.9Very high98Very high12 Ų1238.3 Ų38.36%0.06324%0.24CC..SBendtrans-137.6140.7172.9-72.4176.7000109.3V240 A243 V244 G247 Q253 I257 H267V240-L249 HydrophobicContact CG1-CD1 4.08Å; A243-L249 HydrophobicContact CB-CD1 3.89Å; A243-L249 HydrophobicContact CB-CG 4.15Å; A243-L249 PolarHBondContact O-N 2.63Å; V244-L249 WeakPolarHBondContact CA-O 3.45Å; V244-L249 HydrophobicContact CG2-CB 3.75Å; G247-L249 VanDerWaalsContact C-N 3.33Å; L249-Q253 HydrophobicContact CD2-CB 4.4Å; L249-I257 HydrophobicContact CD1-CD1 3.85Å; L249-H267 HydrophobicContact CD1-CB 4.07Å
250A98.3Very high97.9Very high50 Ų5040.6 Ų40.641%0.41326%0.255SS..  trans-76.2148.5165.700000110.2A252 Q253A250-A252 VanDerWaalsContact C-N 3.31Å; A250-A252 PolarHBondContact O-N 3Å; A250-Q253 HydrophobicContact CB-CG 4.24Å; A250-Q253 WeakPolarHBondContact O-CB 3.49Å; A250-Q253 PolarHBondContact O-N 2.96Å
251P98.5Very high97.7Very high20 Ų2045.5 Ų45.513%0.1328%0.278CS..Hα-helixtrans-51.8-45.1-179.8-30.336.6000114.3A164 E167 A168 H171 V244 Q253 V254A164-P251 HydrophobicContact CB-CG 3.82Å; E167-P251 HydrophobicContact CB-CB 4.02Å; E167-P251 HydrophobicContact CB-CG 4.33Å; E167-P251 HydrophobicContact CG-CB 3.81Å; E167-P251 HydrophobicContact CG-CG 4.41Å; A168-P251 HydrophobicContact CB-CB 4.11Å; H171-P251 PolarHBondContact CD2-O 3.39Å; V244-P251 HydrophobicContact CG1-CG 4.02Å; P251-Q253 PolarHBondContact O-N 3.46Å; P251-Q253 VanDerWaalsContact O-N 3.13Å; P251-V254 WeakPolarHBondContact O-CB 3.47Å; P251-V254 PolarHBondContact O-N 3.13Å
252A97.9Very high97.5Very high60 Ų6048.8 Ų48.850%0.49630%0.296SS..Hα-helixtrans-58.9-27179.500000113.8A250 V254 K255A250-A252 VanDerWaalsContact C-N 3.31Å; A250-A252 PolarHBondContact O-N 3Å; A252-V254 PolarHBondContact O-N 3.23Å; A252-K255 WeakPolarHBondContact O-CB 3.15Å; A252-K255 PolarHBondContact O-N 2.75Å
253Q98.1Very high97.1Very high90 Ų9050 Ų5042%0.42130%0.304SS..Hα-helixtrans-68.3-21.1178.3-63.5-179.4-80.500112.4L249 A250 P251 K255 T256 I257L249-Q253 HydrophobicContact CD2-CB 4.4Å; A250-Q253 HydrophobicContact CB-CG 4.24Å; A250-Q253 WeakPolarHBondContact O-CB 3.49Å; A250-Q253 PolarHBondContact O-N 2.96Å; P251-Q253 PolarHBondContact O-N 3.46Å; P251-Q253 VanDerWaalsContact O-N 3.13Å; Q253-K255 VanDerWaalsContact C-N 3.28Å; Q253-K255 PolarHBondContact O-N 2.97Å; Q253-T256 PolarHBondContact O-N 3.38Å; Q253-I257 WeakPolarHBondContact O-CG1 3.36Å; Q253-I257 PolarHBondContact O-N 2.85Å
254V98.2Very high96.8Very high0 Ų055.5 Ų55.50%033%0.332CS..Hα-helixtrans-64.9-35.4175.9178.80000111.2A168 L172 V240 V244 P251 A252 I257 L258A168-V254 HydrophobicContact CB-CB 4.35Å; A168-V254 HydrophobicContact CB-CG2 3.79Å; L172-V254 HydrophobicContact CD1-CG1 4.43Å; L172-V254 HydrophobicContact CD2-CG1 3.79Å; L172-V254 HydrophobicContact CG-CG1 4.03Å; V240-V254 HydrophobicContact CG1-CG1 4.29Å; V240-V254 HydrophobicContact CG1-CG2 3.69Å; V244-V254 HydrophobicContact CG2-CG2 3.7Å; P251-V254 WeakPolarHBondContact O-CB 3.47Å; P251-V254 PolarHBondContact O-N 3.13Å; A252-V254 PolarHBondContact O-N 3.23Å; V254-I257 PolarHBondContact O-N 3.34Å; V254-L258 WeakPolarHBondContact O-CB 3.31Å; V254-L258 PolarHBondContact O-N 2.6Å
255K97.6Very high96.2Very high100 Ų10056 Ų5644%0.43534%0.338SS..Hα-helixtrans-62.7-48.2172.5-175.8176.7171.7-179.20111.1H171 A252 Q253 I257 L258 E259H171-K255 HydrophobicContact CB-CB 4.13Å; A252-K255 WeakPolarHBondContact O-CB 3.15Å; A252-K255 PolarHBondContact O-N 2.75Å; Q253-K255 VanDerWaalsContact C-N 3.28Å; Q253-K255 PolarHBondContact O-N 2.97Å; K255-I257 VanDerWaalsContact C-N 3.29Å; K255-I257 PolarHBondContact O-N 3.45Å; K255-L258 WeakPolarHBondContact O-CB 3.29Å; K255-L258 PolarHBondContact O-N 3.24Å; K255-L258 VanDerWaalsContact O-N 3.14Å; K255-E259 WeakPolarHBondContact CE-OE1 3.29Å; K255-E259 HydrophobicContact CG-CG 4.4Å; K255-E259 IonicContact NZ-OE1 2.78Å; K255-E259 WeakPolarHBondContact O-CB 3.18Å; K255-E259 WeakPolarHBondContact O-CG 3.31Å; K255-E259 PolarHBondContact O-N 2.78Å
256T97.5Very high95.7Very high91 Ų9163.4 Ų63.456%0.55837%0.368SS*.Hα-helixtrans-60.1-39.5176.7-48.90000112.1Q253 E259 S260Q253-T256 PolarHBondContact O-N 3.38Å; T256-E259 PolarHBondContact O-N 3.08Å; T256-S260 WeakPolarHBondContact O-CB 3.46Å; T256-S260 PolarHBondContact O-N 3.47Å
257I97.6Very high95.2Very high15 Ų1560.6 Ų60.68%0.07735%0.353CS..Hα-helixtrans-61.1-48.1174.6-74.4168.5000110.7A180 F181 V240 L249 Q253 V254 K255 S260 H267 Q268A180-I257 HydrophobicContact CB-CG2 4.31Å; A180-I257 WeakPolarHBondContact CB-O 3.33Å; F181-I257 HydrophobicContact CE1-CG2 4.22Å; F181-I257 HydrophobicContact CE2-CG2 4.19Å; F181-I257 HydrophobicContact CZ-CG2 3.7Å; V240-I257 HydrophobicContact CG1-CD1 4.05Å; L249-I257 HydrophobicContact CD1-CD1 3.85Å; Q253-I257 WeakPolarHBondContact O-CG1 3.36Å; Q253-I257 PolarHBondContact O-N 2.85Å; V254-I257 PolarHBondContact O-N 3.34Å; K255-I257 VanDerWaalsContact C-N 3.29Å; K255-I257 PolarHBondContact O-N 3.45Å; I257-S260 PolarHBondContact O-N 3.33Å; I257-S260 PolarHBondContact O-OG 2.88Å; I257-H267 HydrophobicContact CD1-CB 4.44Å; I257-Q268 HydrophobicContact CG2-CG 3.54Å
258L97.4Very high94.6Very high8 Ų858.2 Ų58.24%0.04232%0.324CS..Hα-helixtrans-60.3-47.7178.7-17963.3000111.3H171 L172 H176 D177 F178 F181 V254 K255 S260 Q261H171-L258 VanDerWaalsContact O-CD2 3.3Å; H171-L258 WeakPolarHBondContact O-CD2 3.43Å; L172-L258 HydrophobicContact CD2-CD2 4.45Å; H176-L258 HydrophobicContact CB-CD1 3.97Å; H176-L258 HydrophobicContact CB-CD2 3.97Å; H176-L258 HydrophobicContact CB-CG 4.23Å; D177-L258 WeakPolarHBondContact O-CD1 3.25Å; F178-L258 HydrophobicContact CD1-CD1 3.76Å; F178-L258 HydrophobicContact CE1-CD1 3.87Å; F178-L258 HydrophobicContact CG-CD1 4.28Å; F178-L258 HydrophobicContact CZ-CD1 4.47Å; F181-L258 HydrophobicContact CD2-CD1 4.03Å; F181-L258 HydrophobicContact CE2-CB 4.11Å; F181-L258 HydrophobicContact CE2-CD1 3.75Å; V254-L258 WeakPolarHBondContact O-CB 3.31Å; V254-L258 PolarHBondContact O-N 2.6Å; K255-L258 WeakPolarHBondContact O-CB 3.29Å; K255-L258 PolarHBondContact O-N 3.24Å; K255-L258 VanDerWaalsContact O-N 3.14Å; L258-S260 VanDerWaalsContact C-N 3.29Å; L258-S260 PolarHBondContact O-N 2.84Å; L258-Q261 PolarHBondContact O-N 3.28Å
259E97.1Very high93.8Very high118 Ų11857.6 Ų57.655%0.55132%0.319SS*.Hα-helixtrans-68.1-25.6-179.4-69.8172.716300113.2K255 T256 Q261K255-E259 WeakPolarHBondContact CE-OE1 3.29Å; K255-E259 HydrophobicContact CG-CG 4.4Å; K255-E259 IonicContact NZ-OE1 2.78Å; K255-E259 WeakPolarHBondContact O-CB 3.18Å; K255-E259 WeakPolarHBondContact O-CG 3.31Å; K255-E259 PolarHBondContact O-N 2.78Å; T256-E259 PolarHBondContact O-N 3.08Å; E259-Q261 PolarHBondContact O-N 2.86Å
260S96.3Very high93.6Very high57 Ų5763.7 Ų63.740%0.39934%0.341SS..Hα-helixtrans-64.6-25.8177.474.10000113.6T256 I257 L258 D262T256-S260 WeakPolarHBondContact O-CB 3.46Å; T256-S260 PolarHBondContact O-N 3.47Å; I257-S260 PolarHBondContact O-N 3.33Å; I257-S260 PolarHBondContact O-OG 2.88Å; L258-S260 VanDerWaalsContact C-N 3.29Å; L258-S260 PolarHBondContact O-N 2.84Å; S260-D262 PolarHBondContact O-N 3.1Å; S260-D262 PolarHBondContact OG-N 3.39Å
261Q94.6Very high93.5Very high103 Ų10363.2 Ų63.248%0.48133%0.333SS..  trans54.911.4-174.7-60.2174.4-1.400114.5D177 S179 L258 E259 P263D177-Q261 HydrophobicContact CB-CG 4.22Å; S179-Q261 WeakPolarHBondContact CB-O 3.14Å; L258-Q261 PolarHBondContact O-N 3.28Å; E259-Q261 PolarHBondContact O-N 2.86Å; Q261-P263 WeakPolarHBondContact O-CD 3.44Å
262D93.6Very high93.5Very high69 Ų6962.3 Ų62.337%0.36933%0.327SS..  trans-93.6111.4-174.7175.519.3000111.9S260 L264 G265S260-D262 PolarHBondContact O-N 3.1Å; S260-D262 PolarHBondContact OG-N 3.39Å; D262-L264 VanDerWaalsContact C-N 3.27Å; D262-L264 PolarHBondContact O-N 2.9Å; D262-L264 WeakPolarHBondContact OD1-CB 3.26Å; D262-L264 PolarHBondContact OD1-N 2.78Å; D262-G265 PolarHBondContact OD2-N 2.86Å
263P91.2Very high93.4Very high29 Ų2961.2 Ų61.219%0.18832%0.315CS..THydrogen-bonded Turntrans-76.1-9.9178.831.1-34.8000114.2S179 Q182 A184 R236 Q261S179-P263 WeakPolarHBondContact O-CB 3.32Å; Q182-P263 WeakPolarHBondContact O-CB 3.2Å; A184-P263 HydrophobicContact CB-CG 4.37Å; R236-P263 PolarHBondContact NH1-O 3.04Å; Q261-P263 WeakPolarHBondContact O-CD 3.44Å
264L90.9Very high93.4Very high124 Ų12457.5 Ų57.565%0.64930%0.3SS*.THydrogen-bonded Turntrans-99.8-4.9-174.4-60.2-176.7000113.6A184 D262A184-L264 HydrophobicContact CB-CD2 3.87Å; D262-L264 VanDerWaalsContact C-N 3.27Å; D262-L264 PolarHBondContact O-N 2.9Å; D262-L264 WeakPolarHBondContact OD1-CB 3.26Å; D262-L264 PolarHBondContact OD1-N 2.78Å
265G86.8Confident93.4Very high13 Ų1360.1 Ų60.113%0.13431%0.312CS..SBendtrans-57.6154.7176.700000113.5D262 H267 Q268 A269D262-G265 PolarHBondContact OD2-N 2.86Å; G265-H267 VanDerWaalsContact C-N 3.27Å; G265-H267 PolarHBondContact O-N 2.97Å; G265-H267 VanDerWaalsContact O-N 3.1Å; G265-Q268 PolarHBondContact O-N 3.04Å; G265-Q268 VanDerWaalsContact O-N 3.15Å; G265-Q268 PolarHBondContact O-OE1 3.13Å; G265-A269 WeakPolarHBondContact O-CB 3.46Å; G265-A269 PolarHBondContact O-N 3.5Å
266K88.4Confident93.4Very high159 Ų15955.4 Ų55.469%0.69129%0.291SS*.THydrogen-bonded Turntrans-50.3-40.2-170.7179.4-177.8177-175.40114.5
267H85.5Confident93.4Very high29 Ų2951.4 Ų51.413%0.13427%0.266CS..THydrogen-bonded Turntrans-92.9-35.1-178.1-67.2-93000111.5V240 L249 I257 G265 A269 R270V240-H267 HydrophobicContact CG2-CB 4.39Å; L249-H267 HydrophobicContact CD1-CB 4.07Å; I257-H267 HydrophobicContact CD1-CB 4.44Å; G265-H267 VanDerWaalsContact C-N 3.27Å; G265-H267 PolarHBondContact O-N 2.97Å; G265-H267 VanDerWaalsContact O-N 3.1Å; H267-A269 VanDerWaalsContact C-N 3.34Å; H267-A269 PolarHBondContact O-N 3.48Å; H267-R270 WeakPolarHBondContact O-CB 3.02Å; H267-R270 PolarHBondContact O-N 2.6Å
268Q85.1Confident93.5Very high16 Ų1651.4 Ų51.48%0.07527%0.266CS..THydrogen-bonded Turntrans-64.1-36.2178.4-61.593.1-33.300112.9A180 R236 I257 G265 R270A180-Q268 HydrophobicContact CB-CG 4.3Å; A180-Q268 WeakPolarHBondContact O-CB 3.42Å; R236-Q268 PolarHBondContact NE-O 3.34Å; R236-Q268 PolarHBondContact NH1-O 3.5Å; I257-Q268 HydrophobicContact CG2-CG 3.54Å; G265-Q268 PolarHBondContact O-N 3.04Å; G265-Q268 VanDerWaalsContact O-N 3.15Å; G265-Q268 PolarHBondContact O-OE1 3.13Å; Q268-R270 PolarHBondContact O-N 2.9Å
269A81.5Confident93.6Very high47 Ų4751 Ų5139%0.38826%0.264SS..THydrogen-bonded Turntrans-67.2-23.5179.900000112.7G265 H267G265-A269 WeakPolarHBondContact O-CB 3.46Å; G265-A269 PolarHBondContact O-N 3.5Å; H267-A269 VanDerWaalsContact C-N 3.34Å; H267-A269 PolarHBondContact O-N 3.48Å
270R93.3Very high93.6Very high139 Ų13949.1 Ų49.153%0.52525%0.254SS..  trans-72.3139.2178.3-60.9-178.1-178.2-172.8-3.5110.2A239 H267 Q268A239-R270 HydrophobicContact CB-CB 4.22Å; H267-R270 WeakPolarHBondContact O-CB 3.02Å; H267-R270 PolarHBondContact O-N 2.6Å; Q268-R270 PolarHBondContact O-N 2.9Å
271V96.1Very high93.7Very high41 Ų4147.2 Ų47.225%0.24824%0.241CC..  trans-123.8120.1179.5-173.30000108R232 R235 R236R232-V271 HydrophobicContact CB-CG1 4.49Å; R235-V271 HydrophobicContact CB-CG1 3.67Å; R235-V271 VanDerWaalsContact CZ-CG1 3.48Å; R236-V271 HydrophobicContact CG-CG2 4.1Å
272A97.8Very high93.9Very high1 Ų142.4 Ų42.41%0.00822%0.218CC..  trans-57146.4175.200000110.6Y132 W153 R235 T238 A239Y132-A272 HydrophobicContact CE2-CB 3.78Å; Y132-A272 WeakPolarHBondContact OH-CB 3.42Å; W153-A272 HydrophobicContact CE3-CB 3.82Å; W153-A272 HydrophobicContact CH2-CB 4.39Å; W153-A272 HydrophobicContact CZ3-CB 3.61Å; R235-A272 HydrophobicContact CB-CB 4.32Å; R235-A272 VanDerWaalsContact CZ-O 3.23Å; R235-A272 PolarHBondContact NE-O 2.97Å; R235-A272 PolarHBondContact NH2-O 3.48Å; R235-A272 WeakPolarHBondContact O-CB 3.46Å; R235-A272 PolarHBondContact O-N 3.17Å; R235-A272 VanDerWaalsContact O-N 3.12Å; T238-A272 HydrophobicContact CG2-CB 3.86Å; A239-A272 HydrophobicContact CB-CB 4.39Å
273P97.4Very high94Very high36 Ų3641 Ų4123%0.23421%0.211CC..  trans-51.8146.7178.3-2936.8000113.5Y132 W153Y132-P273 WeakPolarHBondContact CE2-O 3.43Å; Y132-P273 WeakPolarHBondContact OH-CD 3.34Å; Y132-P273 PolarHBondContact OH-O 3.24Å; W153-P273 HydrophobicContact CB-CG 4.48Å; W153-P273 VanDerWaalsContact CD2-CD 3.4Å; W153-P273 HydrophobicContact CD2-CG 4Å; W153-P273 HydrophobicContact CG-CG 3.8Å
274A98.1Very high94.2Very high13 Ų1340 Ų4011%0.10720%0.203CC..G310 helixtrans-71.5-37.3-17500000113A67 G68 V69 G276 L277A67-A274 WeakPolarHBondContact O-CB 3.12Å; G68-A274 CarbonylContact O-C 3.55Å; V69-A274 HydrophobicContact CG2-CB 3.81Å; A274-G276 PolarHBondContact O-N 2.73Å; A274-G276 VanDerWaalsContact O-N 3.15Å; A274-L277 WeakPolarHBondContact O-CB 3.18Å; A274-L277 PolarHBondContact O-N 3.47Å
275H96.9Very high93.9Very high55 Ų5537 Ų3726%0.25520%0.203SC..G310 helixtrans-69.8-9.8-174.459.9-115.4000114.2G68 H70 N150 L151 C152G68-H275 WeakPolarHBondContact O-CA 3.41Å; G68-H275 PolarHBondContact O-N 2.89Å; H70-H275 PolarHBondContact CD2-O 3.48Å; H70-H275 WeakPolarHBondContact NE2-CA 3.19Å; H70-H275 PolarHBondContact NE2-O 3.44Å; N150-H275 CarbonylContact C-O 3.59Å; N150-H275 HydrophobicContact CB-CB 4.02Å; N150-H275 WeakPolarHBondContact O-CB 3.36Å; N150-H275 VanDerWaalsContact O-O 3.06Å; L151-H275 CarbonylContact C-O 3.57Å; L151-H275 WeakPolarHBondContact CA-O 3.24Å; C152-H275 PolarHBondContact O-CD2 2.96Å; C152-H275 VanDerWaalsContact O-CD2 3.24Å; C152-H275 PolarHBondContact O-NE2 3.27Å
276G97.9Very high93Very high0 Ų041.1 Ų41.10%023%0.229CC..G310 helixtrans-84.1-13.3169.900000113.4Y132 R133 A274 F278Y132-G276 CarbonylContact C-O 3.57Å; Y132-G276 VanDerWaalsContact CA-O 3.3Å; Y132-G276 WeakPolarHBondContact CA-O 3.48Å; R133-G276 PolarHBondContact N-O 3.2Å; A274-G276 PolarHBondContact O-N 2.73Å; A274-G276 VanDerWaalsContact O-N 3.15Å; G276-F278 WeakPolarHBondContact O-CD2 3.4Å
277L98.8Very high92Very high7 Ų735.3 Ų35.34%0.03721%0.205CC..EExtended strand (participates in β ladder)trans-101.5134.2-172.2-178.363000112V69 H70 Y130 Y132 V234 R235 A274V69-L277 HydrophobicContact CG1-CB 4.15Å; V69-L277 HydrophobicContact CG1-CD2 3.98Å; V69-L277 HydrophobicContact CG1-CG 3.89Å; V69-L277 WeakPolarHBondContact CG1-O 3.33Å; V69-L277 HydrophobicContact CG2-CB 4.39Å; V69-L277 HydrophobicContact CG2-CD2 4.13Å; H70-L277 PolarHBondContact N-O 2.91Å; Y130-L277 HydrophobicContact CD1-CD1 3.59Å; Y130-L277 HydrophobicContact CD1-CD2 4.07Å; Y130-L277 HydrophobicContact CD1-CG 3.89Å; Y130-L277 HydrophobicContact CE1-CD2 4.32Å; Y130-L277 HydrophobicContact CE1-CG 4.46Å; Y130-L277 HydrophobicContact CG-CD1 4.08Å; Y132-L277 HydrophobicContact CD2-CB 3.76Å; Y132-L277 HydrophobicContact CD2-CD1 3.99Å; Y132-L277 HydrophobicContact CD2-CG 4.41Å; Y132-L277 HydrophobicContact CE2-CB 3.92Å; V234-L277 HydrophobicContact CB-CD1 4.45Å; V234-L277 HydrophobicContact CB-CD2 4.43Å; V234-L277 HydrophobicContact CG1-CD1 3.62Å; V234-L277 HydrophobicContact CG1-CD2 4.39Å; R235-L277 HydrophobicContact CG-CD2 3.59Å; A274-L277 WeakPolarHBondContact O-CB 3.18Å; A274-L277 PolarHBondContact O-N 3.47Å
278F98.8Very high90.1Very high16 Ų1636 Ų367%0.0722%0.221CC..EExtended strand (participates in β ladder)trans-126.3127.8177.1-60.3-102.4000109.3H70 L72 Y130 L131 R133 L151 G276 K280H70-F278 HydrophobicContact CB-CD1 3.35Å; H70-F278 HydrophobicContact CB-CE1 3.53Å; H70-F278 HydrophobicContact CB-CG 4.04Å; H70-F278 HydrophobicContact CB-CZ 4.34Å; H70-F278 AromaticContact CD2-CE1 3.94Å; H70-F278 AromaticContact CD2-CZ 3.9Å; H70-F278 AromaticContact CG-CD1 3.97Å; H70-F278 AromaticContact CG-CE1 3.62Å; H70-F278 WeakPolarHBondContact O-CA 3.44Å; L72-F278 HydrophobicContact CD2-CD1 4.04Å; L72-F278 HydrophobicContact CG-CB 4.34Å; L72-F278 HydrophobicContact CG-CD1 4.22Å; Y130-F278 CarbonylContact C-O 3.47Å; Y130-F278 VanDerWaalsContact CA-O 3.31Å; Y130-F278 WeakPolarHBondContact CA-O 3.43Å; Y130-F278 WeakPolarHBondContact CD1-O 3.39Å; L131-F278 HydrophobicContact CB-CB 4.44Å; L131-F278 PolarHBondContact N-O 2.82Å; L131-F278 PolarHBondContact O-N 3.45Å; R133-F278 HydrophobicContact CG-CE2 4.27Å; L151-F278 HydrophobicContact CB-CZ 4.16Å; L151-F278 HydrophobicContact CD2-CE1 4.22Å; L151-F278 HydrophobicContact CD2-CZ 3.94Å; L151-F278 WeakPolarHBondContact O-CE2 3.43Å; G276-F278 WeakPolarHBondContact O-CD2 3.4Å; F278-K280 PolarHBondContact O-N 2.77Å; F278-K280 VanDerWaalsContact O-N 3.16Å
279L98.8Very high88.1Confident0 Ų039.5 Ų39.50%025%0.252CS..EExtended strand (participates in β ladder)trans-70.8105.5157.8176.464.7000108S63 T65 H70 A71 L72 S73 N74 Y130 V282S63-L279 VanDerWaalsContact CB-CD2 3.5Å; T65-L279 HydrophobicContact CG2-CB 4.27Å; T65-L279 HydrophobicContact CG2-CD2 4.46Å; H70-L279 PolarHBondContact O-N 3.44Å; A71-L279 CarbonylContact C-O 3.5Å; A71-L279 WeakPolarHBondContact CA-O 3.2Å; A71-L279 HydrophobicContact CB-CB 3.98Å; L72-L279 PolarHBondContact N-O 3.12Å; S73-L279 PolarHBondContact N-O 2.87Å; N74-L279 HydrophobicContact CB-CD2 3.68Å; Y130-L279 HydrophobicContact CD1-CB 4.19Å; Y130-L279 HydrophobicContact CD1-CD1 4.36Å; Y130-L279 HydrophobicContact CD2-CD1 4.34Å; Y130-L279 HydrophobicContact CE1-CB 3.79Å; Y130-L279 HydrophobicContact CE1-CD1 3.97Å; Y130-L279 HydrophobicContact CE1-CG 4.45Å; Y130-L279 HydrophobicContact CE2-CD1 3.92Å; L279-V282 HydrophobicContact CD1-CG2 4.26Å; L279-V282 HydrophobicContact CD2-CG2 4.04Å; L279-V282 HydrophobicContact CG-CG2 4.41Å
280K98.6Very high86.4Confident77 Ų7741.1 Ų41.134%0.33527%0.265SS..EExtended strand (participates in β ladder)trans-76.4-46.5-174.8-177.5179.6-177.8-1770111.4L72 S73 T129 L131 E223 F278L72-K280 HydrophobicContact CD1-CG 4.29Å; S73-K280 WeakPolarHBondContact CB-O 3.29Å; T129-K280 HydrophobicContact CG2-CB 4.46Å; T129-K280 HydrophobicContact CG2-CD 4.21Å; T129-K280 WeakPolarHBondContact O-CA 3.27Å; T129-K280 WeakPolarHBondContact O-CB 3.22Å; T129-K280 PolarHBondContact O-N 3.3Å; L131-K280 HydrophobicContact CB-CB 4.37Å; E223-K280 IonicContact OE1-NZ 3.82Å; E223-K280 PolarHBondContact OE1-NZ 3.27Å; E223-K280 IonicContact OE2-NZ 3.86Å; F278-K280 PolarHBondContact O-N 2.77Å; F278-K280 VanDerWaalsContact O-N 3.16Å
281S97.7Very high84.2Confident18 Ų1834.9 Ų34.913%0.12624%0.243CC..EExtended strand (participates in β ladder)trans-155.6158-175.558.30000113.4R128 T129R128-S281 WeakPolarHBondContact CA-O 3.21Å; T129-S281 VanDerWaalsContact CB-OG 3.31Å; T129-S281 WeakPolarHBondContact CB-OG 3.39Å; T129-S281 PolarHBondContact N-O 3.34Å; T129-S281 VanDerWaalsContact N-O 3.07Å; T129-S281 PolarHBondContact O-N 2.83Å; T129-S281 PolarHBondContact OG1-OG 3.21Å
282V97.9Very high81.5Confident1 Ų135.2 Ų35.21%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-134123.1169.2-177.90000108.6Y17 S62 A75 A125 S127 R128 L279 Y284Y17-V282 HydrophobicContact CE1-CB 4.45Å; Y17-V282 WeakPolarHBondContact CE1-O 3.5Å; Y17-V282 PolarHBondContact OH-O 2.83Å; S62-V282 VanDerWaalsContact OG-CG1 3.31Å; S62-V282 WeakPolarHBondContact OG-CG1 3.44Å; A75-V282 HydrophobicContact CB-CB 4.2Å; A75-V282 HydrophobicContact CB-CG1 4.25Å; A75-V282 HydrophobicContact CB-CG2 4.48Å; A125-V282 HydrophobicContact CB-CG1 3.92Å; S127-V282 WeakPolarHBondContact O-CA 3.28Å; R128-V282 HydrophobicContact CG-CG2 4.41Å; L279-V282 HydrophobicContact CD1-CG2 4.26Å; L279-V282 HydrophobicContact CD2-CG2 4.04Å; L279-V282 HydrophobicContact CG-CG2 4.41Å; V282-Y284 HydrophobicContact CG1-CE2 3.72Å; V282-Y284 WeakPolarHBondContact CG1-OH 3.39Å
283L96.4Very high78.6Confident41 Ų4140.6 Ų40.622%0.21528%0.28CS..EExtended strand (participates in β ladder)trans-108.5147.9-177.1-49.5-173.2000111.8A125 T126 S127 C292A125-L283 CarbonylContact C-O 3.57Å; A125-L283 VanDerWaalsContact CA-O 3.29Å; A125-L283 WeakPolarHBondContact CA-O 3.01Å; T126-L283 PolarHBondContact N-O 2.81Å; T126-L283 PolarHBondContact OG1-O 2.83Å; S127-L283 PolarHBondContact O-N 2.85Å; L283-C292 HydrophobicContact CD2-CB 3.81Å; L283-C292 WeakPolarHBondContact CD2-SG 3.04Å
284Y95.3Very high75.8Confident7 Ų745 Ų453%0.02730%0.3CS..EExtended strand (participates in β ladder)trans-132.6130.8176.7-61.8-82000109.2L15 Y17 S62 A75 F119 A121 A124 A125 V282 S286 L287L15-Y284 HydrophobicContact CD1-CE2 3.93Å; L15-Y284 HydrophobicContact CD2-CD2 3.76Å; L15-Y284 HydrophobicContact CD2-CE2 3.74Å; L15-Y284 HydrophobicContact CG-CE2 4.48Å; Y17-Y284 HydrophobicContact CE1-CE2 4.48Å; Y17-Y284 WeakPolarHBondContact OH-CD2 3.36Å; Y17-Y284 WeakPolarHBondContact OH-CE2 3.3Å; S62-Y284 VanDerWaalsContact CB-OH 3.27Å; S62-Y284 WeakPolarHBondContact CB-OH 3.43Å; S62-Y284 PolarHBondContact OG-OH 2.67Å; S62-Y284 VanDerWaalsContact OG-OH 3.12Å; A75-Y284 HydrophobicContact CB-CE2 3.98Å; A75-Y284 WeakPolarHBondContact CB-OH 3.26Å; F119-Y284 HydrophobicContact CE1-CE1 4.38Å; F119-Y284 AromaticContact CE2-CD1 3.71Å; F119-Y284 HydrophobicContact CE2-CD1 3.71Å; F119-Y284 HydrophobicContact CE2-CE1 4.13Å; F119-Y284 HydrophobicContact CE2-CG 4.2Å; F119-Y284 AromaticContact CZ-CD1 3.49Å; F119-Y284 HydrophobicContact CZ-CD1 3.49Å; F119-Y284 VanDerWaalsContact CZ-CD1 3.49Å; F119-Y284 HydrophobicContact CZ-CD2 4.44Å; F119-Y284 AromaticContact CZ-CE1 3.47Å; F119-Y284 HydrophobicContact CZ-CE1 3.47Å; F119-Y284 VanDerWaalsContact CZ-CE1 3.47Å; F119-Y284 HydrophobicContact CZ-CE2 4.44Å; F119-Y284 HydrophobicContact CZ-CG 4.02Å; F119-Y284 AromaticContact CZ-CZ 3.98Å; A121-Y284 WeakPolarHBondContact O-CE1 3.13Å; A121-Y284 PolarHBondContact O-OH 3.33Å; A124-Y284 HydrophobicContact CB-CD1 3.98Å; A124-Y284 HydrophobicContact CB-CE1 4.28Å; A124-Y284 WeakPolarHBondContact O-CD1 3.45Å; A125-Y284 HydrophobicContact CB-CD1 4.16Å; A125-Y284 HydrophobicContact CB-CE1 3.63Å; V282-Y284 HydrophobicContact CG1-CE2 3.72Å; V282-Y284 WeakPolarHBondContact CG1-OH 3.39Å; Y284-S286 VanDerWaalsContact C-N 3.33Å; Y284-S286 PolarHBondContact O-N 3.4Å; Y284-L287 HydrophobicContact CD2-CD1 4.33Å; Y284-L287 HydrophobicContact CG-CD1 4.37Å; Y284-L287 PolarHBondContact O-N 3.43Å
285G85.1Confident72.6Confident62 Ų6252.1 Ų52.164%0.63933%0.331SS*.G310 helixtrans-62.5-34.6-174.800000114.6L287G285-L287 PolarHBondContact O-N 2.76Å
286S68.3Low69.3Low98 Ų9857.5 Ų57.569%0.68536%0.357SS*.G310 helixtrans-85.2-1.2-174.353.50000115.4Y284Y284-S286 VanDerWaalsContact C-N 3.33Å; Y284-S286 PolarHBondContact O-N 3.4Å
287L66Low66Low38 Ų3862.2 Ų62.220%0.19939%0.387CS..G310 helixtrans-111.94.6-174.6-71.3168.7000114.4L15 F113 V115 Y284 G285L15-L287 HydrophobicContact CD2-CD1 3.24Å; F113-L287 HydrophobicContact CB-CD2 4.44Å; V115-L287 HydrophobicContact CG1-CD1 4.33Å; V115-L287 HydrophobicContact CG1-CD2 4.39Å; Y284-L287 HydrophobicContact CD2-CD1 4.33Å; Y284-L287 HydrophobicContact CG-CD1 4.37Å; Y284-L287 PolarHBondContact O-N 3.43Å; G285-L287 PolarHBondContact O-N 2.76Å
288G46.1Very low62.7Low44 Ų4470.7 Ų70.745%0.45443%0.426SS..  trans60.7172.4174.300000115.4A290 S291G288-A290 PolarHBondContact O-N 2.96Å; G288-A290 VanDerWaalsContact O-N 3.09Å; G288-S291 WeakPolarHBondContact O-CB 3.31Å; G288-S291 PolarHBondContact O-N 3.38Å; G288-S291 VanDerWaalsContact O-N 3.07Å; G288-S291 PolarHBondContact O-OG 3.21Å
289A44.4Very low59.6Low88 Ų8878.8 Ų78.873%0.72746%0.462SS*.G310 helixtrans-63.7-11.6-178.300000114.6S291 C292A289-S291 PolarHBondContact O-N 3.06Å; A289-S291 VanDerWaalsContact O-N 3.07Å; A289-C292 PolarHBondContact O-N 2.78Å
290A45Very low56.2Low81 Ų8181.3 Ų81.367%0.66949%0.488SS*.G310 helixtrans-59.1-18.116900000112.4R111 G288 C292R111-A290 PolarHBondContact NH1-O 3.24Å; G288-A290 PolarHBondContact O-N 2.96Å; G288-A290 VanDerWaalsContact O-N 3.09Å; A290-C292 VanDerWaalsContact C-N 3.34Å
291S47Very low53Low8 Ų883.2 Ų83.26%0.05651%0.511CS..G310 helixtrans-80.90.4174.167.60000114.7R111 G288 A289R111-S291 PolarHBondContact NH2-O 2.82Å; G288-S291 WeakPolarHBondContact O-CB 3.31Å; G288-S291 PolarHBondContact O-N 3.38Å; G288-S291 VanDerWaalsContact O-N 3.07Å; G288-S291 PolarHBondContact O-OG 3.21Å; A289-S291 PolarHBondContact O-N 3.06Å; A289-S291 VanDerWaalsContact O-N 3.07Å
292C39.8Very low50Low48 Ų4891.2 Ų91.232%0.32455%0.546SS..  trans-149.682.2-164.7-156.70000113.9L283 A289 A290L283-C292 HydrophobicContact CD2-CB 3.81Å; L283-C292 WeakPolarHBondContact CD2-SG 3.04Å; A289-C292 PolarHBondContact O-N 2.78Å; A290-C292 VanDerWaalsContact C-N 3.34Å
293T36.8Very low47.1Very low115 Ų115106 Ų10671%0.70660%0.602SS**  trans178.5123.4140.118.90000108.6Q295T293-Q295 VanDerWaalsContact C-N 3.27Å; T293-Q295 PolarHBondContact O-N 3.47Å
294L38.6Very low44.7Very low127 Ų127109.2 Ų109.267%0.66562%0.621SS**  trans-63.2107137.9-69.7165.9000102.7E296L294-E296 PolarHBondContact O-N 2.84Å; L294-E296 VanDerWaalsContact O-N 3.12Å
295Q30.7Very low42Very low164 Ų164114.6 Ų114.677%0.76665%0.652SS**  trans-49.4124.6173.5-86.7172.8-40.900107T293T293-Q295 VanDerWaalsContact C-N 3.27Å; T293-Q295 PolarHBondContact O-N 3.47Å
296E28.3Very low39.6Very low167 Ų167117.5 Ų117.578%0.7865%0.653SS**  trans-53.5135.2166.4-69.6-168.5162.400107.2L294 H298L294-E296 PolarHBondContact O-N 2.84Å; L294-E296 VanDerWaalsContact O-N 3.12Å; E296-H298 PolarHBondContact O-N 2.95Å
297P28.8Very low37.9Very low99 Ų99118.6 Ų118.664%0.64365%0.651SS**  trans-58.9113.1173.422.8-29.4000107.6F299P297-F299 HydrophobicContact CB-CD2 4.04Å; P297-F299 HydrophobicContact CB-CE2 3.82Å; P297-F299 HydrophobicContact CG-CD2 4.11Å; P297-F299 HydrophobicContact CG-CE2 3.76Å; P297-F299 PolarHBondContact O-N 2.98Å
298H27.8Very low36.2Very low186 Ų186123.7 Ų123.786%0.86168%0.679SS**  trans-62.487.9163.2-82-67.6000107.3E296 G300E296-H298 PolarHBondContact O-N 2.95Å; H298-G300 VanDerWaalsContact C-N 3.26Å; H298-G300 PolarHBondContact O-N 3.07Å
299F34.1Very low35.5Very low185 Ų185129 Ų12981%0.81169%0.694SS**  trans-71.195.2158.8-77-77000106.2P297 S301P297-F299 HydrophobicContact CB-CD2 4.04Å; P297-F299 HydrophobicContact CB-CE2 3.82Å; P297-F299 HydrophobicContact CG-CD2 4.11Å; P297-F299 HydrophobicContact CG-CE2 3.76Å; P297-F299 PolarHBondContact O-N 2.98Å; F299-S301 PolarHBondContact O-N 2.95Å
300G27.4Very low34.9Very low54 Ų54131.9 Ų131.956%0.55769%0.692SS**  trans-52.2126.8171.500000109.4H298 H302H298-G300 VanDerWaalsContact C-N 3.26Å; H298-G300 PolarHBondContact O-N 3.07Å; G300-H302 VanDerWaalsContact C-N 3.25Å; G300-H302 PolarHBondContact O-N 3.02Å
301S32.3Very low34.1Very low117 Ų117135.8 Ų135.882%0.81869%0.694SS**  trans-6889.6163.546.90000108.1F299 R303F299-S301 PolarHBondContact O-N 2.95Å; S301-R303 PolarHBondContact O-N 3.42Å
302H34.8Very low33Very low185 Ų185146.5 Ų146.586%0.85675%0.747SS**  trans-74.7112158.9-73.9-65.4000107.4G300G300-H302 VanDerWaalsContact C-N 3.25Å; G300-H302 PolarHBondContact O-N 3.02Å
303R36.6Very low32.4Very low311 Ų311155.5 Ų155.5100%1.17479%0.785SS**  trans-580160.9-71.2-177-178.2-167.90.3110.4S301S301-R303 PolarHBondContact O-N 3.42Å

Retrieved 303 of 303 residues in 604.5 ms (Link to these results)

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