A0A077ZJJ0_TRITR Loading...

MMR HSR1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJJ0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 168 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
1M87.9Confident89Confident124 Ų12466.2 Ų66.261%0.61135%0.35SS*.  01510174.5179.617800108.9P10 N54 L55M1-P10 HydrophobicContact CE-CB 4.18Å; M1-P10 HydrophobicContact CE-CG 4.3Å; M1-P10 HydrophobicContact SD-CB 3.95Å; M1-P10 HydrophobicContact SD-CG 3.8Å; M1-N54 WeakPolarHBondContact O-CA 3.33Å; M1-L55 HydrophobicContact CB-CB 4.43Å; M1-L55 HydrophobicContact CG-CD1 4.49Å; M1-L55 PolarHBondContact N-O 2.96Å; M1-L55 PolarHBondContact O-N 3.12Å
2S90Very high89.5Confident67 Ų6765.5 Ų65.547%0.46935%0.347SS..EExtended strand (participates in β ladder)trans-130.2145.1172.8-57.20000110.6I53 N54S2-I53 CarbonylContact C-O 3.52Å; S2-I53 WeakPolarHBondContact CA-O 3.2Å; S2-N54 PolarHBondContact OG-OD1 3.1Å
3A90.6Very high90Very high1 Ų166.9 Ų66.91%0.00836%0.36CS..EExtended strand (participates in β ladder)trans-132.3141.9-179.200000111H8 L9 L52 I53A3-H8 HydrophobicContact CB-CB 4.08Å; A3-L9 HydrophobicContact CB-CD2 3.93Å; A3-L52 WeakPolarHBondContact O-CA 3.43Å; A3-I53 PolarHBondContact N-O 2.71Å; A3-I53 PolarHBondContact O-N 2.84Å
4P86Confident90.4Very high76 Ų7665.4 Ų65.449%0.49437%0.367SS..SBendtrans-71.6-28.7178.329-36.2000113.4H8 L52P4-H8 HydrophobicContact CG-CB 4.1Å; P4-L52 HydrophobicContact CB-CD2 4.26Å
5D85.3Confident90.9Very high35 Ų3566.3 Ų66.319%0.18737%0.37CS..SBendtrans-153.5171.8174.967.744.1000110.9R7 H8D5-R7 PolarHBondContact O-N 2.82Å; D5-R7 VanDerWaalsContact O-N 3.14Å; D5-R7 WeakPolarHBondContact OD1-CA 3.49Å; D5-R7 VanDerWaalsContact OD1-CB 3.27Å; D5-R7 WeakPolarHBondContact OD1-CB 3.44Å; D5-R7 PolarHBondContact OD1-N 2.82Å; D5-R7 IonicContact OD1-NE 3.43Å; D5-R7 PolarHBondContact OD1-NE 2.94Å; D5-R7 IonicContact OD2-CZ 3.53Å; D5-R7 IonicContact OD2-NE 3.43Å; D5-R7 PolarHBondContact OD2-NE 3.1Å; D5-R7 IonicContact OD2-NH2 2.76Å; D5-R7 PolarHBondContact OD2-NH2 3.39Å; D5-H8 VanDerWaalsContact CG-ND1 3.32Å; D5-H8 PolarHBondContact O-N 3.48Å; D5-H8 VanDerWaalsContact O-N 3.1Å; D5-H8 IonicContact OD1-CE1 3.65Å; D5-H8 IonicContact OD1-CG 3.86Å; D5-H8 PolarHBondContact OD1-N 2.8Å; D5-H8 IonicContact OD1-ND1 2.8Å; D5-H8 PolarHBondContact OD1-ND1 2.76Å; D5-H8 IonicContact OD2-CE1 3.66Å; D5-H8 IonicContact OD2-ND1 3.48Å; D5-H8 PolarHBondContact OD2-ND1 3.43Å
6I87Confident91.3Very high21 Ų2162.1 Ų62.111%0.10835%0.347CS..G310 helixtrans-61.4-20.1-175.656.9128.3000113.9H8 L9 I53 A86 E89 Y90I6-H8 VanDerWaalsContact C-N 3.35Å; I6-L9 HydrophobicContact CB-CD1 4.19Å; I6-L9 HydrophobicContact CG2-CD1 4.44Å; I6-L9 WeakPolarHBondContact O-CB 3.47Å; I6-L9 WeakPolarHBondContact O-CD1 3.38Å; I6-L9 VanDerWaalsContact O-CG 3.24Å; I6-L9 WeakPolarHBondContact O-CG 3.46Å; I6-I53 HydrophobicContact CB-CD1 4.37Å; I6-I53 HydrophobicContact CG2-CD1 3.57Å; I6-A86 WeakPolarHBondContact CD1-O 3.35Å; I6-A86 HydrophobicContact CG1-CB 4.11Å; I6-A86 WeakPolarHBondContact CG1-O 3.27Å; I6-E89 HydrophobicContact CD1-CB 4.25Å; I6-E89 HydrophobicContact CD1-CG 4.19Å; I6-Y90 HydrophobicContact CB-CD2 4.16Å; I6-Y90 HydrophobicContact CB-CG 4.37Å; I6-Y90 HydrophobicContact CG2-CD2 3.96Å; I6-Y90 HydrophobicContact CG2-CG 3.83Å
7R86.4Confident91.6Very high173 Ų17360.9 Ų60.965%0.65334%0.341SS*.G310 helixtrans-83.1-16.8-180-55.5169.1-64.61733.9112.3D5 L9D5-R7 PolarHBondContact O-N 2.82Å; D5-R7 VanDerWaalsContact O-N 3.14Å; D5-R7 WeakPolarHBondContact OD1-CA 3.49Å; D5-R7 VanDerWaalsContact OD1-CB 3.27Å; D5-R7 WeakPolarHBondContact OD1-CB 3.44Å; D5-R7 PolarHBondContact OD1-N 2.82Å; D5-R7 IonicContact OD1-NE 3.43Å; D5-R7 PolarHBondContact OD1-NE 2.94Å; D5-R7 IonicContact OD2-CZ 3.53Å; D5-R7 IonicContact OD2-NE 3.43Å; D5-R7 PolarHBondContact OD2-NE 3.1Å; D5-R7 IonicContact OD2-NH2 2.76Å; D5-R7 PolarHBondContact OD2-NH2 3.39Å; R7-L9 VanDerWaalsContact C-N 3.33Å
8H91.1Very high91.9Very high103 Ų10357.6 Ų57.648%0.47732%0.322SS..G310 helixtrans-96.912.2175.8-63.481.2000112.2A3 P4 D5 I6A3-H8 HydrophobicContact CB-CB 4.08Å; P4-H8 HydrophobicContact CG-CB 4.1Å; D5-H8 VanDerWaalsContact CG-ND1 3.32Å; D5-H8 PolarHBondContact O-N 3.48Å; D5-H8 VanDerWaalsContact O-N 3.1Å; D5-H8 IonicContact OD1-CE1 3.65Å; D5-H8 IonicContact OD1-CG 3.86Å; D5-H8 PolarHBondContact OD1-N 2.8Å; D5-H8 IonicContact OD1-ND1 2.8Å; D5-H8 PolarHBondContact OD1-ND1 2.76Å; D5-H8 IonicContact OD2-CE1 3.66Å; D5-H8 IonicContact OD2-ND1 3.48Å; D5-H8 PolarHBondContact OD2-ND1 3.43Å; I6-H8 VanDerWaalsContact C-N 3.35Å
9L92Very high92.1Very high17 Ų1754.9 Ų54.99%0.08931%0.307CS..SBendtrans-68.8153.7171.5-66.4178.6000110.3A3 I6 R7 I53 L55 Y90A3-L9 HydrophobicContact CB-CD2 3.93Å; I6-L9 HydrophobicContact CB-CD1 4.19Å; I6-L9 HydrophobicContact CG2-CD1 4.44Å; I6-L9 WeakPolarHBondContact O-CB 3.47Å; I6-L9 WeakPolarHBondContact O-CD1 3.38Å; I6-L9 VanDerWaalsContact O-CG 3.24Å; I6-L9 WeakPolarHBondContact O-CG 3.46Å; R7-L9 VanDerWaalsContact C-N 3.33Å; L9-I53 HydrophobicContact CD2-CB 4.4Å; L9-I53 HydrophobicContact CD2-CD1 4.42Å; L9-I53 HydrophobicContact CD2-CG2 3.9Å; L9-L55 HydrophobicContact CD2-CD1 3.44Å; L9-L55 VanDerWaalsContact CD2-CD1 3.44Å; L9-L55 HydrophobicContact CD2-CD2 4.15Å; L9-L55 HydrophobicContact CD2-CG 4.22Å; L9-Y90 HydrophobicContact CD1-CD2 3.76Å; L9-Y90 HydrophobicContact CD1-CE2 3.42Å; L9-Y90 VanDerWaalsContact CD1-CE2 3.42Å
10P91.5Very high92.2Very high34 Ų3452.3 Ų52.322%0.22129%0.292CS..  trans-63.4-179.417529.3-36.1000111.4M1 D12 L55 R63 R94M1-P10 HydrophobicContact CE-CB 4.18Å; M1-P10 HydrophobicContact CE-CG 4.3Å; M1-P10 HydrophobicContact SD-CB 3.95Å; M1-P10 HydrophobicContact SD-CG 3.8Å; P10-D12 PolarHBondContact O-N 3.43Å; P10-L55 HydrophobicContact CG-CD2 3.72Å; P10-R63 VanDerWaalsContact CG-NH1 3.31Å; P10-R94 PolarHBondContact O-NH1 3.43Å; P10-R94 PolarHBondContact O-NH2 3.21Å
11S91.8Very high92.2Very high77 Ų7749.8 Ų49.854%0.53828%0.278SS..  trans-46.9139.5177.758.10000112.2T13 R63 R94S11-T13 PolarHBondContact O-N 2.87Å; S11-T13 PolarHBondContact OG-OG1 2.86Å; S11-T13 VanDerWaalsContact OG-OG1 3.1Å; S11-R63 PolarHBondContact O-NH1 2.85Å; S11-R63 PolarHBondContact O-NH2 3.29Å; S11-R94 PolarHBondContact O-NH2 3.13Å
12D95Very high92.4Very high58 Ų5847.9 Ų47.931%0.3126%0.264SS..SBendtrans-80.371.4-179.9-166.915.1000110.5P10 R94 Q95 S96P10-D12 PolarHBondContact O-N 3.43Å; D12-R94 VanDerWaalsContact OD1-CD 3.3Å; D12-R94 WeakPolarHBondContact OD1-CD 3.47Å; D12-R94 WeakPolarHBondContact OD1-CG 3.24Å; D12-R94 IonicContact OD1-CZ 3.64Å; D12-R94 IonicContact OD1-NE 2.69Å; D12-R94 PolarHBondContact OD1-NE 3.48Å; D12-R94 WeakPolarHBondContact OD2-CA 3.42Å; D12-Q95 VanDerWaalsContact CG-N 3.35Å; D12-Q95 PolarHBondContact OD1-N 2.95Å; D12-Q95 PolarHBondContact OD2-N 3.39Å; D12-S96 WeakPolarHBondContact OD1-CB 3.47Å; D12-S96 PolarHBondContact OD1-N 3.03Å; D12-S96 PolarHBondContact OD1-OG 3.44Å
13T95.6Very high92.1Very high84 Ų8446 Ų4652%0.51525%0.251SS..  trans-138.3155-174.553.70000111.7S11 R63 S96S11-T13 PolarHBondContact O-N 2.87Å; S11-T13 PolarHBondContact OG-OG1 2.86Å; S11-T13 VanDerWaalsContact OG-OG1 3.1Å; T13-R63 PolarHBondContact O-NH2 3.46Å; T13-S96 WeakPolarHBondContact O-CB 3.3Å
14G96Very high91.8Very high45 Ų4549.7 Ų49.746%0.46427%0.271SS..SBendtrans74.6-145-17900000112.4G61 S96G14-G61 CarbonylContact C-O 3.53Å; G14-G61 VanDerWaalsContact CA-O 3.31Å; G14-G61 WeakPolarHBondContact CA-O 3.49Å; G14-S96 WeakPolarHBondContact O-CA 3.45Å; G14-S96 WeakPolarHBondContact O-CB 3.5Å
15I97Very high92Very high79 Ų7946.2 Ų46.241%0.40525%0.248SC..EExtended strand (participates in β ladder)trans-127.3129.6-174.3-61.5171.8000109.6G61 K62 R63 S96 Q98I15-G61 PolarHBondContact N-O 3.06Å; I15-K62 HydrophobicContact CB-CG 4.35Å; I15-K62 CarbonylContact O-C 3.43Å; I15-K62 WeakPolarHBondContact O-CA 3.31Å; I15-R63 PolarHBondContact O-N 3.47Å; I15-S96 CarbonylContact C-O 3.59Å; I15-S96 WeakPolarHBondContact CA-O 3.33Å; I15-Q98 HydrophobicContact CG2-CB 4.15Å; I15-Q98 HydrophobicContact CG2-CG 4.26Å
16E97.3Very high92.2Very high0 Ų045.4 Ų45.40%025%0.249CC..EExtended strand (participates in β ladder)trans-118.9134.3175.3-73.2175.6-179.300109R63 V65 Y90 R94 S96 L97 Q98 G99E16-R63 WeakPolarHBondContact CA-O 2.92Å; E16-R63 HydrophobicContact CG-CB 4.13Å; E16-R63 IonicContact OE1-CZ 3.06Å; E16-R63 IonicContact OE1-NE 3.45Å; E16-R63 PolarHBondContact OE1-NE 3.31Å; E16-R63 IonicContact OE1-NH1 3.73Å; E16-R63 IonicContact OE1-NH2 2.69Å; E16-R63 PolarHBondContact OE1-NH2 3.45Å; E16-V65 HydrophobicContact CB-CG2 4.02Å; E16-V65 HydrophobicContact CG-CG2 3.98Å; E16-Y90 PolarHBondContact OE2-OH 2.75Å; E16-R94 IonicContact OE1-CZ 2.82Å; E16-R94 IonicContact OE1-NE 3.77Å; E16-R94 IonicContact OE1-NH2 3.48Å; E16-R94 PolarHBondContact OE1-NH2 3.35Å; E16-R94 IonicContact OE2-CZ 2.84Å; E16-R94 IonicContact OE2-NE 3.83Å; E16-R94 PolarHBondContact OE2-NE 2.93Å; E16-R94 VanDerWaalsContact OE2-NE 3.1Å; E16-R94 IonicContact OE2-NH2 3.56Å; E16-S96 PolarHBondContact N-O 3.45Å; E16-S96 PolarHBondContact OE1-OG 2.84Å; E16-S96 PolarHBondContact OE2-OG 2.85Å; E16-L97 HydrophobicContact CB-CD1 4.4Å; E16-Q98 PolarHBondContact O-N 2.83Å; E16-G99 PolarHBondContact O-N 3.41Å
17V97.1Very high92.4Very high42 Ų4245 Ų4526%0.25525%0.246SC..EExtended strand (participates in β ladder)trans-116.9115.1165.5178.40000108.2F19 R63 L64 V65 G99 V101V17-F19 HydrophobicContact CG1-CE2 3.98Å; V17-R63 PolarHBondContact N-O 2.92Å; V17-L64 HydrophobicContact CB-CD2 4.12Å; V17-L64 WeakPolarHBondContact O-CA 3.18Å; V17-V65 PolarHBondContact O-N 3.28Å; V17-G99 CarbonylContact C-O 3.54Å; V17-G99 WeakPolarHBondContact CA-O 3.46Å; V17-V101 HydrophobicContact CG1-CG2 3.82Å
18A96.6Very high92.6Very high0 Ų037.6 Ų37.60%022%0.221CC..EExtended strand (participates in β ladder)trans-87.9142-178.900000111.9V65 L67 Y90 L97 G99 L100 V101A18-V65 CarbonylContact C-O 3.56Å; A18-V65 WeakPolarHBondContact CA-O 3.44Å; A18-V65 HydrophobicContact CB-CB 4.27Å; A18-L67 HydrophobicContact CB-CD1 3.91Å; A18-L67 HydrophobicContact CB-CG 4.34Å; A18-Y90 HydrophobicContact CB-CE1 4.03Å; A18-L97 HydrophobicContact CB-CD1 3.64Å; A18-G99 PolarHBondContact N-O 2.85Å; A18-L100 HydrophobicContact CB-CD1 3.9Å; A18-L100 CarbonylContact O-C 3.47Å; A18-V101 PolarHBondContact O-N 2.69Å
19F95.6Very high92.5Very high8 Ų835.1 Ų35.14%0.03522%0.215CC..EExtended strand (participates in β ladder)trans-110.7114.7174.9-76.9-112000107.8V17 K27 L31 L34 L64 V65 L67 V101 L103V17-F19 HydrophobicContact CG1-CE2 3.98Å; F19-K27 HydrophobicContact CB-CD 4.05Å; F19-K27 HydrophobicContact CB-CG 4.03Å; F19-K27 WeakPolarHBondContact O-CD 3.19Å; F19-L31 HydrophobicContact CB-CD1 4.32Å; F19-L31 HydrophobicContact CB-CD2 4.4Å; F19-L31 HydrophobicContact CB-CG 4.47Å; F19-L31 HydrophobicContact CD1-CD2 3.86Å; F19-L31 HydrophobicContact CD1-CG 3.97Å; F19-L31 HydrophobicContact CD2-CD2 3.71Å; F19-L31 HydrophobicContact CE1-CD2 4.07Å; F19-L31 HydrophobicContact CE1-CG 4.42Å; F19-L31 HydrophobicContact CE2-CD2 3.93Å; F19-L31 HydrophobicContact CG-CD1 4.44Å; F19-L31 HydrophobicContact CG-CD2 3.71Å; F19-L31 HydrophobicContact CG-CG 4.08Å; F19-L31 HydrophobicContact CZ-CD2 4.11Å; F19-L34 HydrophobicContact CE1-CD1 3.47Å; F19-L34 VanDerWaalsContact CE1-CD1 3.47Å; F19-L34 HydrophobicContact CZ-CD1 3.49Å; F19-L34 VanDerWaalsContact CZ-CD1 3.49Å; F19-L64 HydrophobicContact CE2-CB 4.42Å; F19-L64 HydrophobicContact CE2-CD1 4.38Å; F19-L64 HydrophobicContact CE2-CD2 4.05Å; F19-V65 PolarHBondContact N-O 3.48Å; F19-L67 WeakPolarHBondContact O-CB 3.28Å; F19-L67 PolarHBondContact O-N 3.47Å; F19-L67 VanDerWaalsContact O-N 3.12Å; F19-V101 WeakPolarHBondContact CA-O 3.47Å; F19-V101 HydrophobicContact CD1-CB 4.01Å; F19-V101 HydrophobicContact CD1-CG1 4.13Å; F19-V101 HydrophobicContact CD1-CG2 4.5Å; F19-V101 HydrophobicContact CD2-CB 4.46Å; F19-V101 HydrophobicContact CD2-CG2 4.45Å; F19-V101 HydrophobicContact CE1-CB 3.99Å; F19-V101 HydrophobicContact CE1-CG1 3.95Å; F19-V101 HydrophobicContact CE1-CG2 4.07Å; F19-V101 HydrophobicContact CE2-CB 4.44Å; F19-V101 HydrophobicContact CE2-CG2 4.01Å; F19-V101 HydrophobicContact CG-CB 4.23Å; F19-V101 HydrophobicContact CZ-CB 4.2Å; F19-V101 HydrophobicContact CZ-CG2 3.79Å; F19-L103 HydrophobicContact CB-CD1 4.31Å; F19-L103 HydrophobicContact CD1-CD1 3.75Å; F19-L103 HydrophobicContact CG-CD1 4.47Å
20A94.3Very high92.4Very high1 Ų134.3 Ų34.31%0.00821%0.211CC..EExtended strand (participates in β ladder)trans-119.4156.1179.200000110.3L67 Y70 L100 V101 L103 M117A20-L67 HydrophobicContact CB-CD1 4.07Å; A20-Y70 HydrophobicContact CB-CE1 4.14Å; A20-L100 HydrophobicContact CB-CD1 3.9Å; A20-V101 PolarHBondContact N-O 2.72Å; A20-L103 PolarHBondContact O-N 2.87Å; A20-M117 HydrophobicContact CB-CE 4.07Å
21G92.7Very high92.4Very high0 Ų032.7 Ų32.70%020%0.201CC..EExtended strand (participates in β ladder)trans170.8160.7176.300000111.4G69 Y70 L103G21-G69 VanDerWaalsContact O-CA 3.31Å; G21-G69 WeakPolarHBondContact O-CA 3.47Å; G21-Y70 VanDerWaalsContact C-CE1 3.45Å; G21-Y70 WeakPolarHBondContact CA-OH 3.49Å; G21-Y70 VanDerWaalsContact N-CE1 3.29Å; G21-Y70 PolarHBondContact O-N 3.28Å; G21-L103 WeakPolarHBondContact CA-O 3.48Å
22R90.7Very high92.4Very high84 Ų8429.8 Ų29.832%0.31718%0.179SC..BIsolated β-bridgetrans-57.5161.3171.7-64.2-1717286.91111.2N24 A25 Y70 G71 D114R22-N24 PolarHBondContact O-N 3.37Å; R22-A25 HydrophobicContact CB-CB 4.47Å; R22-A25 WeakPolarHBondContact O-CB 3.47Å; R22-A25 PolarHBondContact O-N 2.96Å; R22-A25 VanDerWaalsContact O-N 3.08Å; R22-Y70 WeakPolarHBondContact CA-O 3.21Å; R22-Y70 HydrophobicContact CB-CD2 4.34Å; R22-Y70 HydrophobicContact CB-CE2 4.17Å; R22-Y70 HydrophobicContact CG-CD2 3.68Å; R22-Y70 HydrophobicContact CG-CE2 3.31Å; R22-G71 PolarHBondContact NH2-O 3.37Å; R22-D114 WeakPolarHBondContact CG-OD1 3.43Å
23S85.1Confident92.1Very high28 Ų2830.6 Ų30.620%0.19619%0.186CC..THydrogen-bonded Turntrans-44.2137.5162.1-174.70000111.8A25 P47 Y70 Y72S23-A25 PolarHBondContact O-N 3.2Å; S23-P47 WeakPolarHBondContact OG-CA 3.43Å; S23-P47 WeakPolarHBondContact OG-CB 3.23Å; S23-Y70 PolarHBondContact N-O 3.44Å; S23-Y72 VanDerWaalsContact CB-CZ 3.5Å; S23-Y72 WeakPolarHBondContact OG-CE1 3.3Å; S23-Y72 PolarHBondContact OG-OH 3.45Å
24N84.3Confident91.7Very high79 Ų7931.3 Ų31.342%0.42219%0.186SC..THydrogen-bonded Turntrans60.218.7175.1-165.624.4000113R22 G26 K134R22-N24 PolarHBondContact O-N 3.37Å; N24-G26 PolarHBondContact O-N 2.75Å; N24-K134 WeakPolarHBondContact O-CE 3.37Å; N24-K134 PolarHBondContact O-NZ 2.82Å
25A89.6Confident91.2Very high2 Ų230.4 Ų30.42%0.01717%0.171CC..SBendtrans-76.17.5173.900000113.7R22 S23 L103 T133R22-A25 HydrophobicContact CB-CB 4.47Å; R22-A25 WeakPolarHBondContact O-CB 3.47Å; R22-A25 PolarHBondContact O-N 2.96Å; R22-A25 VanDerWaalsContact O-N 3.08Å; S23-A25 PolarHBondContact O-N 3.2Å; A25-L103 HydrophobicContact CB-CB 4.33Å; A25-L103 WeakPolarHBondContact CB-O 3.47Å; A25-T133 VanDerWaalsContact O-CG2 3.28Å; A25-T133 WeakPolarHBondContact O-CG2 3.3Å; A25-T133 PolarHBondContact O-OG1 3.45Å
26G89.4Confident90.6Very high19 Ų1934 Ų3420%0.19619%0.191CC..SBendtrans84.57.1177.600000115.9N24 S28 S29 A30N24-G26 PolarHBondContact O-N 2.75Å; G26-S28 PolarHBondContact O-N 3.42Å; G26-S29 WeakPolarHBondContact O-CB 3.31Å; G26-S29 PolarHBondContact O-N 3.1Å; G26-S29 VanDerWaalsContact O-N 3.15Å; G26-A30 PolarHBondContact O-N 2.78Å
27K91.8Very high89.8Confident13 Ų1338.6 Ų38.66%0.05721%0.213CC..Hα-helixtrans-49.7-55.1-178.5-179.6173.353.473.30114.9F19 S29 A30 L31 D66 L67 L103F19-K27 HydrophobicContact CB-CD 4.05Å; F19-K27 HydrophobicContact CB-CG 4.03Å; F19-K27 WeakPolarHBondContact O-CD 3.19Å; K27-S29 VanDerWaalsContact C-N 3.29Å; K27-S29 PolarHBondContact O-N 3.19Å; K27-A30 WeakPolarHBondContact O-CB 3.05Å; K27-A30 PolarHBondContact O-N 2.85Å; K27-A30 VanDerWaalsContact O-N 3.17Å; K27-L31 HydrophobicContact CG-CD1 4.09Å; K27-L31 PolarHBondContact O-N 2.89Å; K27-D66 VanDerWaalsContact CD-OD1 3.23Å; K27-D66 WeakPolarHBondContact CD-OD1 3.44Å; K27-D66 WeakPolarHBondContact CE-OD1 3.45Å; K27-D66 WeakPolarHBondContact CG-OD1 3.44Å; K27-D66 IonicContact NZ-OD1 2.94Å; K27-D66 PolarHBondContact NZ-OD1 2.99Å; K27-D66 IonicContact NZ-OD2 3.43Å; K27-L67 WeakPolarHBondContact CE-O 3.42Å; K27-L67 PolarHBondContact NZ-O 3Å; K27-L103 HydrophobicContact CB-CD1 4.39Å; K27-L103 HydrophobicContact CB-CD2 4.46Å; K27-L103 HydrophobicContact CG-CD1 4.34Å
28S89.7Confident88.7Confident17 Ų1746.2 Ų46.212%0.11924%0.243CC..Hα-helixtrans-62.3-37-179.8-51.30000112.3G26 N32 R42G26-S28 PolarHBondContact O-N 3.42Å; S28-N32 WeakPolarHBondContact O-CB 3.29Å; S28-N32 VanDerWaalsContact O-CG 3.25Å; S28-N32 PolarHBondContact O-N 3.46Å; S28-N32 PolarHBondContact O-ND2 3.24Å; S28-R42 VanDerWaalsContact CB-O 3.32Å; S28-R42 WeakPolarHBondContact CB-O 3.19Å; S28-R42 PolarHBondContact OG-O 2.68Å
29S89.6Confident87.9Confident51 Ų5151.2 Ų51.236%0.35728%0.277SS..Hα-helixtrans-66.7-40.8176.3-57.90000111.5G26 K27 N32 T33G26-S29 WeakPolarHBondContact O-CB 3.31Å; G26-S29 PolarHBondContact O-N 3.1Å; G26-S29 VanDerWaalsContact O-N 3.15Å; K27-S29 VanDerWaalsContact C-N 3.29Å; K27-S29 PolarHBondContact O-N 3.19Å; S29-N32 PolarHBondContact O-N 2.75Å; S29-T33 WeakPolarHBondContact O-CB 3.34Å; S29-T33 PolarHBondContact O-N 3.47Å; S29-T33 PolarHBondContact O-OG1 2.98Å
30A90.7Very high87.2Confident0 Ų053 Ų530%029%0.287CS..Hα-helixtrans-63.3-46.2176.100000111.6G26 K27 N32 T33 L34 L103 L168G26-A30 PolarHBondContact O-N 2.78Å; K27-A30 WeakPolarHBondContact O-CB 3.05Å; K27-A30 PolarHBondContact O-N 2.85Å; K27-A30 VanDerWaalsContact O-N 3.17Å; A30-N32 PolarHBondContact O-N 3.14Å; A30-T33 PolarHBondContact O-N 3.32Å; A30-L34 WeakPolarHBondContact O-CB 3.4Å; A30-L34 WeakPolarHBondContact O-CG 3.41Å; A30-L34 PolarHBondContact O-N 2.69Å; A30-L103 HydrophobicContact CB-CD2 3.52Å; A30-L168 HydrophobicContact CB-CD1 3.69Å
31L91.6Very high86.6Confident0 Ų053 Ų530%029%0.287CS..Hα-helixtrans-60.3-46.2176.9-78.5164.6000112.3F19 K27 T33 L34 T35 A41 F56 L64 D66F19-L31 HydrophobicContact CB-CD1 4.32Å; F19-L31 HydrophobicContact CB-CD2 4.4Å; F19-L31 HydrophobicContact CB-CG 4.47Å; F19-L31 HydrophobicContact CD1-CD2 3.86Å; F19-L31 HydrophobicContact CD1-CG 3.97Å; F19-L31 HydrophobicContact CD2-CD2 3.71Å; F19-L31 HydrophobicContact CE1-CD2 4.07Å; F19-L31 HydrophobicContact CE1-CG 4.42Å; F19-L31 HydrophobicContact CE2-CD2 3.93Å; F19-L31 HydrophobicContact CG-CD1 4.44Å; F19-L31 HydrophobicContact CG-CD2 3.71Å; F19-L31 HydrophobicContact CG-CG 4.08Å; F19-L31 HydrophobicContact CZ-CD2 4.11Å; K27-L31 HydrophobicContact CG-CD1 4.09Å; K27-L31 PolarHBondContact O-N 2.89Å; L31-T33 VanDerWaalsContact C-N 3.27Å; L31-T33 PolarHBondContact O-N 3.31Å; L31-L34 PolarHBondContact O-N 2.82Å; L31-T35 WeakPolarHBondContact O-CB 3.42Å; L31-T35 WeakPolarHBondContact O-CG2 3.45Å; L31-T35 PolarHBondContact O-N 2.84Å; L31-T35 PolarHBondContact O-OG1 3.33Å; L31-A41 HydrophobicContact CB-CB 4.12Å; L31-A41 HydrophobicContact CD1-CB 4.3Å; L31-F56 HydrophobicContact CD1-CE2 4.29Å; L31-L64 HydrophobicContact CD2-CB 4.22Å; L31-L64 HydrophobicContact CD2-CD1 4.06Å; L31-D66 HydrophobicContact CD1-CB 3.56Å; L31-D66 VanDerWaalsContact CD1-CG 3.42Å; L31-D66 WeakPolarHBondContact CD1-OD1 3.44Å
32N90.7Very high85.9Confident15 Ų1561.2 Ų61.28%0.0832%0.318CS..Hα-helixtrans-60.6-38176.2-75.5-10.4000112.3S28 S29 A30 N36 Q37 K38 L40 A41S28-N32 WeakPolarHBondContact O-CB 3.29Å; S28-N32 VanDerWaalsContact O-CG 3.25Å; S28-N32 PolarHBondContact O-N 3.46Å; S28-N32 PolarHBondContact O-ND2 3.24Å; S29-N32 PolarHBondContact O-N 2.75Å; A30-N32 PolarHBondContact O-N 3.14Å; N32-N36 WeakPolarHBondContact O-CA 3.45Å; N32-N36 PolarHBondContact O-N 2.83Å; N32-N36 VanDerWaalsContact O-N 3.12Å; N32-Q37 CarbonylContact C-O 3.54Å; N32-Q37 WeakPolarHBondContact CA-O 3.08Å; N32-Q37 WeakPolarHBondContact CB-O 3.43Å; N32-Q37 PolarHBondContact O-N 2.79Å; N32-Q37 PolarHBondContact OD1-O 3.44Å; N32-K38 PolarHBondContact ND2-O 2.87Å; N32-L40 PolarHBondContact OD1-N 3.1Å; N32-A41 PolarHBondContact ND2-O 3.41Å; N32-A41 PolarHBondContact OD1-N 3.38Å; N32-A41 PolarHBondContact OD1-O 2.59Å
33T89.2Confident85.2Confident75 Ų7561 Ų6146%0.4633%0.326SS..Hα-helixtrans-68.9-46.5177.5-55.80000111.1S29 A30 L31 T35 N36 L168S29-T33 WeakPolarHBondContact O-CB 3.34Å; S29-T33 PolarHBondContact O-N 3.47Å; S29-T33 PolarHBondContact O-OG1 2.98Å; A30-T33 PolarHBondContact O-N 3.32Å; L31-T33 VanDerWaalsContact C-N 3.27Å; L31-T33 PolarHBondContact O-N 3.31Å; T33-T35 PolarHBondContact O-N 3.23Å; T33-N36 PolarHBondContact O-N 3.18Å; T33-L168 HydrophobicContact CG2-CD2 4.01Å; T33-L168 VanDerWaalsContact OG1-CD2 3.3Å; T33-L168 WeakPolarHBondContact OG1-CD2 3.31Å
34L86.7Confident84.8Confident100 Ų10062.3 Ų62.352%0.52434%0.335SS..Hα-helixtrans-65.9-36.6-179.9-73.7170.5000113.1F19 A30 L31 N36F19-L34 HydrophobicContact CE1-CD1 3.47Å; F19-L34 VanDerWaalsContact CE1-CD1 3.47Å; F19-L34 HydrophobicContact CZ-CD1 3.49Å; F19-L34 VanDerWaalsContact CZ-CD1 3.49Å; A30-L34 WeakPolarHBondContact O-CB 3.4Å; A30-L34 WeakPolarHBondContact O-CG 3.41Å; A30-L34 PolarHBondContact O-N 2.69Å; L31-L34 PolarHBondContact O-N 2.82Å; L34-N36 VanDerWaalsContact C-N 3.32Å
35T86.2Confident84.3Confident25 Ų2567.4 Ų67.415%0.15335%0.354CS..THydrogen-bonded Turntrans-87.6-2.9179.457.10000113L31 T33 Q37 L40 V58 L64L31-T35 WeakPolarHBondContact O-CB 3.42Å; L31-T35 WeakPolarHBondContact O-CG2 3.45Å; L31-T35 PolarHBondContact O-N 2.84Å; L31-T35 PolarHBondContact O-OG1 3.33Å; T33-T35 PolarHBondContact O-N 3.23Å; T35-Q37 WeakPolarHBondContact O-CG 3.43Å; T35-Q37 PolarHBondContact O-N 2.82Å; T35-L40 HydrophobicContact CG2-CD2 3.61Å; T35-L40 VanDerWaalsContact OG1-CD2 3.31Å; T35-L40 WeakPolarHBondContact OG1-CD2 3.32Å; T35-V58 HydrophobicContact CG2-CG1 4.24Å; T35-L64 HydrophobicContact CG2-CD1 3.78Å
36N83.3Confident83.5Confident154 Ų15472.1 Ų72.182%0.82438%0.383SS*.THydrogen-bonded Turntrans51.734.7-172.3-164.331.9000113.2N32 T33 L34N32-N36 WeakPolarHBondContact O-CA 3.45Å; N32-N36 PolarHBondContact O-N 2.83Å; N32-N36 VanDerWaalsContact O-N 3.12Å; T33-N36 PolarHBondContact O-N 3.18Å; L34-N36 VanDerWaalsContact C-N 3.32Å
37Q80.9Confident82.6Confident97 Ų9774.5 Ų74.545%0.45340%0.395SS..  trans-124.2122.2-179.2-69.5-175.535.200110.4N32 T35 S39 L40N32-Q37 CarbonylContact C-O 3.54Å; N32-Q37 WeakPolarHBondContact CA-O 3.08Å; N32-Q37 WeakPolarHBondContact CB-O 3.43Å; N32-Q37 PolarHBondContact O-N 2.79Å; N32-Q37 PolarHBondContact OD1-O 3.44Å; T35-Q37 WeakPolarHBondContact O-CG 3.43Å; T35-Q37 PolarHBondContact O-N 2.82Å; Q37-S39 VanDerWaalsContact C-N 3.31Å; Q37-S39 PolarHBondContact O-N 2.94Å; Q37-L40 HydrophobicContact CB-CB 3.71Å; Q37-L40 HydrophobicContact CB-CD2 4.47Å
38K74.9Confident81.5Confident203 Ų20374.9 Ų74.988%0.88340%0.402SS*.THydrogen-bonded Turntrans-71.5-21-173.8-68.1-175.5179.3178.20114.6N32N32-K38 PolarHBondContact ND2-O 2.87Å
39S79.2Confident80.7Confident104 Ų10480.8 Ų80.873%0.72742%0.422SS*.THydrogen-bonded Turntrans-13110.8-170.860.40000114.4Q37Q37-S39 VanDerWaalsContact C-N 3.31Å; Q37-S39 PolarHBondContact O-N 2.94Å
40L81.8Confident79.8Confident46 Ų4679.1 Ų79.124%0.24141%0.41CS..SBendtrans-64.1-53.7-177.5-177.963.3000111.1N32 T35 Q37 F56N32-L40 PolarHBondContact OD1-N 3.1Å; T35-L40 HydrophobicContact CG2-CD2 3.61Å; T35-L40 VanDerWaalsContact OG1-CD2 3.31Å; T35-L40 WeakPolarHBondContact OG1-CD2 3.32Å; Q37-L40 HydrophobicContact CB-CB 3.71Å; Q37-L40 HydrophobicContact CB-CD2 4.47Å; L40-F56 HydrophobicContact CD1-CD1 3.27Å; L40-F56 HydrophobicContact CD1-CE1 3.47Å; L40-F56 VanDerWaalsContact CD1-CE1 3.47Å; L40-F56 HydrophobicContact CD1-CG 4.07Å; L40-F56 HydrophobicContact CD1-CZ 4.39Å; L40-F56 HydrophobicContact CD2-CB 4.08Å; L40-F56 HydrophobicContact CD2-CD1 3.85Å; L40-F56 HydrophobicContact CD2-CD2 4.18Å; L40-F56 HydrophobicContact CD2-CE1 4.28Å; L40-F56 HydrophobicContact CD2-CG 3.77Å; L40-F56 HydrophobicContact CG-CD1 3.47Å; L40-F56 VanDerWaalsContact CG-CD1 3.47Å; L40-F56 HydrophobicContact CG-CD2 4.34Å; L40-F56 HydrophobicContact CG-CE1 3.49Å; L40-F56 VanDerWaalsContact CG-CE1 3.49Å; L40-F56 HydrophobicContact CG-CE2 4.33Å; L40-F56 HydrophobicContact CG-CG 3.9Å; L40-F56 HydrophobicContact CG-CZ 3.93Å
41A80.2Confident79.3Confident1 Ų185.6 Ų85.61%0.00844%0.44CS..SBendtrans-99.6126.3168.900000109.5L31 N32 T43 F56L31-A41 HydrophobicContact CB-CB 4.12Å; L31-A41 HydrophobicContact CD1-CB 4.3Å; N32-A41 PolarHBondContact ND2-O 3.41Å; N32-A41 PolarHBondContact OD1-N 3.38Å; N32-A41 PolarHBondContact OD1-O 2.59Å; A41-T43 PolarHBondContact O-N 3.3Å; A41-F56 HydrophobicContact CB-CE2 4.4Å; A41-F56 HydrophobicContact CB-CZ 4.26Å
42R77.9Confident79.1Confident173 Ų17389.5 Ų89.565%0.65346%0.46SS*.PPolyproline II helixtrans-65.3119.3177-71.8-179.9169.7178.1-3.3109.8S28S28-R42 VanDerWaalsContact CB-O 3.32Å; S28-R42 WeakPolarHBondContact CB-O 3.19Å; S28-R42 PolarHBondContact OG-O 2.68Å
43T76.8Confident79.1Confident79 Ų7989 Ų8949%0.48546%0.458SS..PPolyproline II helixtrans-89.4138.5173.753.40000110.1A41A41-T43 PolarHBondContact O-N 3.3Å
44S77Confident79.2Confident55 Ų5586.8 Ų86.839%0.38544%0.443SS..  trans-154.3147.5172179.80000108.9T46S44-T46 PolarHBondContact OG-N 3.23Å
45K72.6Confident79.5Confident186 Ų18682.4 Ų82.481%0.80942%0.42SS*.SBendtrans-82-21.8169.9-63.9-180-176.8174.70111.8P47K45-P47 WeakPolarHBondContact O-CD 3.32Å
46T74.4Confident79.8Confident102 Ų10282.3 Ų82.363%0.62642%0.417SS*.SBendtrans-74.5126.5179.1-48.20000109.9S44S44-T46 PolarHBondContact OG-N 3.23Å
47P69.7Low80.3Confident69 Ų6981 Ų8145%0.44841%0.407SS..THydrogen-bonded Turntrans-52.5145.7170.7-27.737.3000112.7S23 K45 Y72S23-P47 WeakPolarHBondContact OG-CA 3.43Å; S23-P47 WeakPolarHBondContact OG-CB 3.23Å; K45-P47 WeakPolarHBondContact O-CD 3.32Å; P47-Y72 VanDerWaalsContact C-CE1 3.48Å; P47-Y72 VanDerWaalsContact CA-CE1 3.48Å; P47-Y72 HydrophobicContact CB-CD1 3.63Å; P47-Y72 HydrophobicContact CB-CE1 3.47Å; P47-Y72 VanDerWaalsContact CB-CE1 3.47Å
48G69.1Low80.8Confident21 Ų2180.2 Ų80.222%0.21641%0.408CS..THydrogen-bonded Turntrans97.62.916500000113.6Q51 Y72G48-Q51 VanDerWaalsContact O-CG 3.28Å; G48-Q51 WeakPolarHBondContact O-CG 3.35Å; G48-Q51 PolarHBondContact O-NE2 2.76Å; G48-Y72 PolarHBondContact N-OH 3.41Å
49R71.7Confident81.6Confident140 Ų14072.9 Ų72.953%0.52839%0.385SS..  trans-69.3-40.1-170.6-172.560.7174.3132.4-7.7114.2
50T71.8Confident82.3Confident16 Ų1675.1 Ų75.110%0.09839%0.389CS..  trans-93.3101.9175.8-54.60000108.4L52T50-L52 WeakPolarHBondContact CG2-O 3.41Å
51Q79.6Confident82.9Confident137 Ų13774.4 Ų74.464%0.6439%0.392SS*.  trans-103-26.3177.4-60.9-176.74.100112.7G48 P68G48-Q51 VanDerWaalsContact O-CG 3.28Å; G48-Q51 WeakPolarHBondContact O-CG 3.35Å; G48-Q51 PolarHBondContact O-NE2 2.76Å; Q51-P68 WeakPolarHBondContact O-CG 3.46Å
52L86.5Confident83.7Confident81 Ų8179.6 Ų79.642%0.42442%0.415SS..SBendtrans-96.2150.6177.4-55.3178.7000110A3 P4 T50 N54A3-L52 WeakPolarHBondContact O-CA 3.43Å; P4-L52 HydrophobicContact CB-CD2 4.26Å; T50-L52 WeakPolarHBondContact CG2-O 3.41Å; L52-N54 PolarHBondContact O-ND2 2.71Å
53I90.7Very high84.5Confident6 Ų672.7 Ų72.73%0.03139%0.389CS..EExtended strand (participates in β ladder)trans-75.1126.3166.2-56.8166.2000107.4S2 A3 I6 L9 L55 V65 D66 L67 P68S2-I53 CarbonylContact C-O 3.52Å; S2-I53 WeakPolarHBondContact CA-O 3.2Å; A3-I53 PolarHBondContact N-O 2.71Å; A3-I53 PolarHBondContact O-N 2.84Å; I6-I53 HydrophobicContact CB-CD1 4.37Å; I6-I53 HydrophobicContact CG2-CD1 3.57Å; L9-I53 HydrophobicContact CD2-CB 4.4Å; L9-I53 HydrophobicContact CD2-CD1 4.42Å; L9-I53 HydrophobicContact CD2-CG2 3.9Å; I53-L55 HydrophobicContact CG2-CD1 4.39Å; I53-V65 HydrophobicContact CG2-CG1 3.46Å; I53-V65 VanDerWaalsContact CG2-CG1 3.46Å; I53-D66 WeakPolarHBondContact CA-O 3.31Å; I53-L67 HydrophobicContact CG1-CD2 4.32Å; I53-L67 HydrophobicContact CG2-CD2 4.1Å; I53-P68 HydrophobicContact CG1-CG 4.19Å
54N92.4Very high85.4Confident28 Ų2870.1 Ų70.115%0.1537%0.372CS..EExtended strand (participates in β ladder)trans-108.1135.2176.4-48.4-70.4000110.4M1 S2 L52 F56 V65 D66M1-N54 WeakPolarHBondContact O-CA 3.33Å; S2-N54 PolarHBondContact OG-OD1 3.1Å; L52-N54 PolarHBondContact O-ND2 2.71Å; N54-F56 HydrophobicContact CB-CE1 4.02Å; N54-F56 HydrophobicContact CB-CE2 4.05Å; N54-F56 HydrophobicContact CB-CZ 3.58Å; N54-V65 CarbonylContact O-C 3.47Å; N54-V65 WeakPolarHBondContact O-CA 3.31Å; N54-D66 HydrophobicContact CB-CB 4.04Å; N54-D66 PolarHBondContact N-O 3.02Å; N54-D66 PolarHBondContact ND2-OD2 3.43Å; N54-D66 PolarHBondContact O-N 2.54Å
55L93.5Very high86.2Confident8 Ų867.5 Ų67.54%0.04235%0.354CS..EExtended strand (participates in β ladder)trans-111.5127.5174.5-6290.1000109M1 L9 P10 I53 L64 V65M1-L55 HydrophobicContact CB-CB 4.43Å; M1-L55 HydrophobicContact CG-CD1 4.49Å; M1-L55 PolarHBondContact N-O 2.96Å; M1-L55 PolarHBondContact O-N 3.12Å; L9-L55 HydrophobicContact CD2-CD1 3.44Å; L9-L55 VanDerWaalsContact CD2-CD1 3.44Å; L9-L55 HydrophobicContact CD2-CD2 4.15Å; L9-L55 HydrophobicContact CD2-CG 4.22Å; P10-L55 HydrophobicContact CG-CD2 3.72Å; I53-L55 HydrophobicContact CG2-CD1 4.39Å; L55-L64 WeakPolarHBondContact CA-O 3.05Å; L55-V65 HydrophobicContact CD2-CG2 4.23Å; L55-V65 HydrophobicContact CG-CG2 4.26Å
56F92.5Very high87.2Confident22 Ų2258.6 Ų58.610%0.09632%0.315CS..EExtended strand (participates in β ladder)trans-117.7108.7178.2-51.5-60.3000108.6L31 L40 A41 N54 V58 R63 L64 D66L31-F56 HydrophobicContact CD1-CE2 4.29Å; L40-F56 HydrophobicContact CD1-CD1 3.27Å; L40-F56 HydrophobicContact CD1-CE1 3.47Å; L40-F56 VanDerWaalsContact CD1-CE1 3.47Å; L40-F56 HydrophobicContact CD1-CG 4.07Å; L40-F56 HydrophobicContact CD1-CZ 4.39Å; L40-F56 HydrophobicContact CD2-CB 4.08Å; L40-F56 HydrophobicContact CD2-CD1 3.85Å; L40-F56 HydrophobicContact CD2-CD2 4.18Å; L40-F56 HydrophobicContact CD2-CE1 4.28Å; L40-F56 HydrophobicContact CD2-CG 3.77Å; L40-F56 HydrophobicContact CG-CD1 3.47Å; L40-F56 VanDerWaalsContact CG-CD1 3.47Å; L40-F56 HydrophobicContact CG-CD2 4.34Å; L40-F56 HydrophobicContact CG-CE1 3.49Å; L40-F56 VanDerWaalsContact CG-CE1 3.49Å; L40-F56 HydrophobicContact CG-CE2 4.33Å; L40-F56 HydrophobicContact CG-CG 3.9Å; L40-F56 HydrophobicContact CG-CZ 3.93Å; A41-F56 HydrophobicContact CB-CE2 4.4Å; A41-F56 HydrophobicContact CB-CZ 4.26Å; N54-F56 HydrophobicContact CB-CE1 4.02Å; N54-F56 HydrophobicContact CB-CE2 4.05Å; N54-F56 HydrophobicContact CB-CZ 3.58Å; F56-V58 PolarHBondContact O-N 3.07Å; F56-R63 CarbonylContact O-C 3.6Å; F56-R63 VanDerWaalsContact O-CA 3.29Å; F56-R63 WeakPolarHBondContact O-CA 3.47Å; F56-L64 HydrophobicContact CB-CB 4.43Å; F56-L64 PolarHBondContact N-O 2.74Å; F56-L64 PolarHBondContact O-N 3.18Å; F56-D66 HydrophobicContact CE2-CB 3.72Å; F56-D66 HydrophobicContact CZ-CB 4.44Å
57E92.1Very high88.1Confident128 Ų12853.9 Ų53.960%0.59829%0.286SS*.EExtended strand (participates in β ladder)trans-73.3122.4171.4-169.4169.2-176.200109A59 R63E57-A59 WeakPolarHBondContact CG-O 3.38Å; E57-R63 HydrophobicContact CB-CG 4.37Å; E57-R63 HydrophobicContact CG-CG 4.49Å
58V91.8Very high88.9Confident80 Ų8051.1 Ų51.149%0.48527%0.268SS..EExtended strand (participates in β ladder)trans-109.7-19-177.2-67.70000112.3T35 F56 K62 L64T35-V58 HydrophobicContact CG2-CG1 4.24Å; F56-V58 PolarHBondContact O-N 3.07Å; V58-K62 HydrophobicContact CG2-CB 4.33Å; V58-K62 WeakPolarHBondContact CG2-O 3.45Å; V58-K62 PolarHBondContact N-O 3.17Å; V58-L64 HydrophobicContact CG1-CD1 3.96Å; V58-L64 HydrophobicContact CG1-CG 3.83Å; V58-L64 HydrophobicContact CG2-CG 4.33Å
59A92.2Very high89.7Confident48 Ų4850.2 Ų50.240%0.39726%0.259SS..EExtended strand (participates in β ladder)trans-159.9166.6168.400000107.8E57 G61 K62E57-A59 WeakPolarHBondContact CG-O 3.38Å; A59-G61 PolarHBondContact O-N 3.19Å; A59-K62 HydrophobicContact CB-CB 4.19Å; A59-K62 HydrophobicContact CB-CD 4.17Å; A59-K62 PolarHBondContact N-O 3.06Å; A59-K62 PolarHBondContact O-N 3.21Å; A59-K62 VanDerWaalsContact O-O 3.06Å
60D94.3Very high90.3Very high152 Ų15244.4 Ų44.481%0.81324%0.237SC*.THydrogen-bonded Turntrans-52.2125.1179.1-177.944.1000111.5K62D60-K62 PolarHBondContact O-N 3.35Å; D60-K62 VanDerWaalsContact O-N 3.13Å
61G94.5Very high90.5Very high30 Ų3044.9 Ų44.931%0.30925%0.245SC..THydrogen-bonded Turntrans64.411-177.400000115.4G14 I15 A59G14-G61 CarbonylContact C-O 3.53Å; G14-G61 VanDerWaalsContact CA-O 3.31Å; G14-G61 WeakPolarHBondContact CA-O 3.49Å; I15-G61 PolarHBondContact N-O 3.06Å; A59-G61 PolarHBondContact O-N 3.19Å
62K95.8Very high90Very high110 Ų11039.8 Ų39.848%0.47822%0.22SC..EExtended strand (participates in β ladder)trans-124.6121-177.9-67.4175.1-175.1168.20111.3I15 V58 A59 D60I15-K62 HydrophobicContact CB-CG 4.35Å; I15-K62 CarbonylContact O-C 3.43Å; I15-K62 WeakPolarHBondContact O-CA 3.31Å; V58-K62 HydrophobicContact CG2-CB 4.33Å; V58-K62 WeakPolarHBondContact CG2-O 3.45Å; V58-K62 PolarHBondContact N-O 3.17Å; A59-K62 HydrophobicContact CB-CB 4.19Å; A59-K62 HydrophobicContact CB-CD 4.17Å; A59-K62 PolarHBondContact N-O 3.06Å; A59-K62 PolarHBondContact O-N 3.21Å; A59-K62 VanDerWaalsContact O-O 3.06Å; D60-K62 PolarHBondContact O-N 3.35Å; D60-K62 VanDerWaalsContact O-N 3.13Å
63R95Very high88.8Confident28 Ų2840.6 Ų40.611%0.10624%0.238CC..EExtended strand (participates in β ladder)trans-129.9138.9-169.6-64.1170.9-67.2-172.39111.8P10 S11 T13 I15 E16 V17 F56 E57P10-R63 VanDerWaalsContact CG-NH1 3.31Å; S11-R63 PolarHBondContact O-NH1 2.85Å; S11-R63 PolarHBondContact O-NH2 3.29Å; T13-R63 PolarHBondContact O-NH2 3.46Å; I15-R63 PolarHBondContact O-N 3.47Å; E16-R63 WeakPolarHBondContact CA-O 2.92Å; E16-R63 HydrophobicContact CG-CB 4.13Å; E16-R63 IonicContact OE1-CZ 3.06Å; E16-R63 IonicContact OE1-NE 3.45Å; E16-R63 PolarHBondContact OE1-NE 3.31Å; E16-R63 IonicContact OE1-NH1 3.73Å; E16-R63 IonicContact OE1-NH2 2.69Å; E16-R63 PolarHBondContact OE1-NH2 3.45Å; V17-R63 PolarHBondContact N-O 2.92Å; F56-R63 CarbonylContact O-C 3.6Å; F56-R63 VanDerWaalsContact O-CA 3.29Å; F56-R63 WeakPolarHBondContact O-CA 3.47Å; E57-R63 HydrophobicContact CB-CG 4.37Å; E57-R63 HydrophobicContact CG-CG 4.49Å
64L95.9Very high87.6Confident25 Ų2548.6 Ų48.613%0.13128%0.275CS..EExtended strand (participates in β ladder)trans-93.7132.7162.2-54-174000108.6V17 F19 L31 T35 L55 F56 V58V17-L64 HydrophobicContact CB-CD2 4.12Å; V17-L64 WeakPolarHBondContact O-CA 3.18Å; F19-L64 HydrophobicContact CE2-CB 4.42Å; F19-L64 HydrophobicContact CE2-CD1 4.38Å; F19-L64 HydrophobicContact CE2-CD2 4.05Å; L31-L64 HydrophobicContact CD2-CB 4.22Å; L31-L64 HydrophobicContact CD2-CD1 4.06Å; T35-L64 HydrophobicContact CG2-CD1 3.78Å; L55-L64 WeakPolarHBondContact CA-O 3.05Å; F56-L64 HydrophobicContact CB-CB 4.43Å; F56-L64 PolarHBondContact N-O 2.74Å; F56-L64 PolarHBondContact O-N 3.18Å; V58-L64 HydrophobicContact CG1-CD1 3.96Å; V58-L64 HydrophobicContact CG1-CG 3.83Å; V58-L64 HydrophobicContact CG2-CG 4.33Å
65V94.8Very high86.4Confident0 Ų049.1 Ų49.10%028%0.28CS..EExtended strand (participates in β ladder)trans-111.6112.9-179.2-175.80000109.3E16 V17 A18 F19 I53 N54 L55 L67E16-V65 HydrophobicContact CB-CG2 4.02Å; E16-V65 HydrophobicContact CG-CG2 3.98Å; V17-V65 PolarHBondContact O-N 3.28Å; A18-V65 CarbonylContact C-O 3.56Å; A18-V65 WeakPolarHBondContact CA-O 3.44Å; A18-V65 HydrophobicContact CB-CB 4.27Å; F19-V65 PolarHBondContact N-O 3.48Å; I53-V65 HydrophobicContact CG2-CG1 3.46Å; I53-V65 VanDerWaalsContact CG2-CG1 3.46Å; N54-V65 CarbonylContact O-C 3.47Å; N54-V65 WeakPolarHBondContact O-CA 3.31Å; L55-V65 HydrophobicContact CD2-CG2 4.23Å; L55-V65 HydrophobicContact CG-CG2 4.26Å; V65-L67 HydrophobicContact CG1-CD2 3.96Å; V65-L67 HydrophobicContact CG1-CG 4.42Å; V65-L67 PolarHBondContact O-N 2.93Å
66D93.3Very high85.6Confident0 Ų052.9 Ų52.90%030%0.304CS..EExtended strand (participates in β ladder)trans-87.499.6174.7-176.141.2000110K27 L31 I53 N54 F56K27-D66 VanDerWaalsContact CD-OD1 3.23Å; K27-D66 WeakPolarHBondContact CD-OD1 3.44Å; K27-D66 WeakPolarHBondContact CE-OD1 3.45Å; K27-D66 WeakPolarHBondContact CG-OD1 3.44Å; K27-D66 IonicContact NZ-OD1 2.94Å; K27-D66 PolarHBondContact NZ-OD1 2.99Å; K27-D66 IonicContact NZ-OD2 3.43Å; L31-D66 HydrophobicContact CD1-CB 3.56Å; L31-D66 VanDerWaalsContact CD1-CG 3.42Å; L31-D66 WeakPolarHBondContact CD1-OD1 3.44Å; I53-D66 WeakPolarHBondContact CA-O 3.31Å; N54-D66 HydrophobicContact CB-CB 4.04Å; N54-D66 PolarHBondContact N-O 3.02Å; N54-D66 PolarHBondContact ND2-OD2 3.43Å; N54-D66 PolarHBondContact O-N 2.54Å; F56-D66 HydrophobicContact CE2-CB 3.72Å; F56-D66 HydrophobicContact CZ-CB 4.44Å
67L92Very high85.1Confident2 Ų256.6 Ų56.61%0.0132%0.322CS..PPolyproline II helixtrans-76.6148.3178.4-61.9171.5000110.2A18 F19 A20 K27 I53 V65 L87 Y90A18-L67 HydrophobicContact CB-CD1 3.91Å; A18-L67 HydrophobicContact CB-CG 4.34Å; F19-L67 WeakPolarHBondContact O-CB 3.28Å; F19-L67 PolarHBondContact O-N 3.47Å; F19-L67 VanDerWaalsContact O-N 3.12Å; A20-L67 HydrophobicContact CB-CD1 4.07Å; K27-L67 WeakPolarHBondContact CE-O 3.42Å; K27-L67 PolarHBondContact NZ-O 3Å; I53-L67 HydrophobicContact CG1-CD2 4.32Å; I53-L67 HydrophobicContact CG2-CD2 4.1Å; V65-L67 HydrophobicContact CG1-CD2 3.96Å; V65-L67 HydrophobicContact CG1-CG 4.42Å; V65-L67 PolarHBondContact O-N 2.93Å; L67-L87 HydrophobicContact CD1-CD2 3.94Å; L67-L87 HydrophobicContact CD2-CD2 4.11Å; L67-L87 HydrophobicContact CG-CD2 4.44Å; L67-Y90 HydrophobicContact CD1-CE1 4.45Å; L67-Y90 HydrophobicContact CD2-CE1 4.22Å
68P86.9Confident84.5Confident12 Ų1258.1 Ų58.18%0.07833%0.329CS..PPolyproline II helixtrans-53.9146.6168-3038.2000112.4Q51 I53 W83Q51-P68 WeakPolarHBondContact O-CG 3.46Å; I53-P68 HydrophobicContact CG1-CG 4.19Å; P68-W83 HydrophobicContact CB-CE3 4.06Å; P68-W83 HydrophobicContact CB-CH2 3.29Å; P68-W83 HydrophobicContact CB-CZ2 4.44Å; P68-W83 HydrophobicContact CB-CZ3 3.07Å; P68-W83 HydrophobicContact CG-CH2 3.75Å; P68-W83 HydrophobicContact CG-CZ3 3.91Å
69G86.8Confident83.7Confident2 Ų258.7 Ų58.72%0.02133%0.328CS..PPolyproline II helixtrans-65.4146.7176.400000111.4G21 Y72G21-G69 VanDerWaalsContact O-CA 3.31Å; G21-G69 WeakPolarHBondContact O-CA 3.47Å; G69-Y72 VanDerWaalsContact C-CE2 3.47Å; G69-Y72 WeakPolarHBondContact O-CD2 3.46Å; G69-Y72 WeakPolarHBondContact O-CE2 3.42Å
70Y84.2Confident82.9Confident18 Ų1859.3 Ų59.37%0.07132%0.322CS..BIsolated β-bridgetrans-102.7167.4173.551.3-106.6000112.5A20 G21 R22 S23 L113 D114 M117A20-Y70 HydrophobicContact CB-CE1 4.14Å; G21-Y70 VanDerWaalsContact C-CE1 3.45Å; G21-Y70 WeakPolarHBondContact CA-OH 3.49Å; G21-Y70 VanDerWaalsContact N-CE1 3.29Å; G21-Y70 PolarHBondContact O-N 3.28Å; R22-Y70 WeakPolarHBondContact CA-O 3.21Å; R22-Y70 HydrophobicContact CB-CD2 4.34Å; R22-Y70 HydrophobicContact CB-CE2 4.17Å; R22-Y70 HydrophobicContact CG-CD2 3.68Å; R22-Y70 HydrophobicContact CG-CE2 3.31Å; S23-Y70 PolarHBondContact N-O 3.44Å; Y70-L113 HydrophobicContact CD2-CB 3.49Å; Y70-L113 VanDerWaalsContact CD2-CB 3.49Å; Y70-L113 HydrophobicContact CD2-CD1 3.69Å; Y70-L113 HydrophobicContact CD2-CG 4.24Å; Y70-L113 HydrophobicContact CE2-CB 3.59Å; Y70-L113 HydrophobicContact CG-CB 4.33Å; Y70-L113 HydrophobicContact CG-CD1 4.27Å; Y70-D114 WeakPolarHBondContact CE2-OD1 3.18Å; Y70-D114 PolarHBondContact OH-OD1 2.92Å; Y70-M117 HydrophobicContact CE1-CG 4.06Å
71G75.6Confident82.3Confident26 Ų2659.3 Ų59.327%0.26831%0.31SS..  trans76.823.117600000115.7R22 A73R22-G71 PolarHBondContact NH2-O 3.37Å; G71-A73 PolarHBondContact O-N 2.95Å
72Y68.8Low81.7Confident30 Ų3063.7 Ų63.712%0.11832%0.321CS..  trans-66.5124.7173-72.2-68.1000111.6S23 P47 G48 G69 E74 K80S23-Y72 VanDerWaalsContact CB-CZ 3.5Å; S23-Y72 WeakPolarHBondContact OG-CE1 3.3Å; S23-Y72 PolarHBondContact OG-OH 3.45Å; P47-Y72 VanDerWaalsContact C-CE1 3.48Å; P47-Y72 VanDerWaalsContact CA-CE1 3.48Å; P47-Y72 HydrophobicContact CB-CD1 3.63Å; P47-Y72 HydrophobicContact CB-CE1 3.47Å; P47-Y72 VanDerWaalsContact CB-CE1 3.47Å; G48-Y72 PolarHBondContact N-OH 3.41Å; G69-Y72 VanDerWaalsContact C-CE2 3.47Å; G69-Y72 WeakPolarHBondContact O-CD2 3.46Å; G69-Y72 WeakPolarHBondContact O-CE2 3.42Å; Y72-E74 VanDerWaalsContact C-N 3.31Å; Y72-E74 PolarHBondContact O-N 3.21Å; Y72-K80 WeakPolarHBondContact O-CE 3.18Å
73A60.9Low80.9Confident97 Ų9761.8 Ų61.880%0.80231%0.311SS*.THydrogen-bonded Turntrans-66.9-31.2179.400000113G71 V75G71-A73 PolarHBondContact O-N 2.95Å; A73-V75 VanDerWaalsContact C-N 3.33Å; A73-V75 PolarHBondContact O-N 3.49Å
74E66Low80.3Confident174 Ų17463.1 Ų63.181%0.81332%0.318SS*.THydrogen-bonded Turntrans-81.7-6.9-174.2-64.4178.6165.600114.3Y72Y72-E74 VanDerWaalsContact C-N 3.31Å; Y72-E74 PolarHBondContact O-N 3.21Å
75V68.3Low79.8Confident40 Ų4070.5 Ų70.524%0.24234%0.344CS..SBendtrans-89.1132.1-179.5178.90000109.3A73 M79 K80A73-V75 VanDerWaalsContact C-N 3.33Å; A73-V75 PolarHBondContact O-N 3.49Å; V75-M79 HydrophobicContact CG1-CB 3.61Å; V75-M79 HydrophobicContact CG1-CG 3.64Å; V75-M79 HydrophobicContact CG1-SD 3.71Å; V75-K80 HydrophobicContact CB-CG 4.31Å; V75-K80 HydrophobicContact CG1-CG 4.17Å; V75-K80 WeakPolarHBondContact O-CE 3.32Å
76P76.9Confident79.4Confident86 Ų8671.7 Ų71.756%0.55835%0.354SS*.  trans-53.3144.5174.9-2734.7000112.3E78 M79 K80P76-E78 VanDerWaalsContact C-N 3.25Å; P76-E78 PolarHBondContact O-N 3.29Å; P76-M79 HydrophobicContact CB-CB 4.5Å; P76-M79 WeakPolarHBondContact O-CB 3.48Å; P76-M79 PolarHBondContact O-N 3.05Å; P76-K80 PolarHBondContact O-N 2.9Å
77E80.2Confident79.2Confident101 Ų10172.5 Ų72.547%0.47236%0.358SS..Hα-helixtrans-59.3-36.5-175.5-166.655.9-146.100112.8M79 K80 R81E77-M79 VanDerWaalsContact C-N 3.32Å; E77-M79 PolarHBondContact O-N 3.37Å; E77-K80 WeakPolarHBondContact O-CB 3.47Å; E77-K80 PolarHBondContact O-N 3.44Å; E77-K80 WeakPolarHBondContact OE2-CD 3.34Å; E77-K80 IonicContact OE2-NZ 3.91Å; E77-K80 PolarHBondContact OE2-NZ 2.98Å; E77-R81 WeakPolarHBondContact O-CG 3.44Å; E77-R81 PolarHBondContact O-N 3.23Å
78E80.6Confident79.1Confident160 Ų16073.1 Ų73.175%0.74837%0.365SS*.Hα-helixtrans-59.9-42.8174.2-173.4-173.2173.700112.1P76 R81 K82P76-E78 VanDerWaalsContact C-N 3.25Å; P76-E78 PolarHBondContact O-N 3.29Å; E78-R81 PolarHBondContact O-N 3.3Å; E78-K82 PolarHBondContact O-N 3.43Å
79M75.3Confident79.3Confident91 Ų9176.3 Ų76.345%0.44838%0.379SS..Hα-helixtrans-69.2-37.3179.3-173.5174.4-168.400110.9V75 P76 E77 K82 W83V75-M79 HydrophobicContact CG1-CB 3.61Å; V75-M79 HydrophobicContact CG1-CG 3.64Å; V75-M79 HydrophobicContact CG1-SD 3.71Å; P76-M79 HydrophobicContact CB-CB 4.5Å; P76-M79 WeakPolarHBondContact O-CB 3.48Å; P76-M79 PolarHBondContact O-N 3.05Å; E77-M79 VanDerWaalsContact C-N 3.32Å; E77-M79 PolarHBondContact O-N 3.37Å; M79-K82 PolarHBondContact O-N 3Å; M79-W83 HydrophobicContact CE-CZ2 4.4Å; M79-W83 WeakPolarHBondContact O-CB 3.3Å; M79-W83 PolarHBondContact O-N 3.27Å
80K75.8Confident79.6Confident62 Ų6276.4 Ų76.427%0.2738%0.378SS..Hα-helixtrans-59-46.7170.7-65.4-179-164147.70111.8Y72 V75 P76 E77 W83 Q84Y72-K80 WeakPolarHBondContact O-CE 3.18Å; V75-K80 HydrophobicContact CB-CG 4.31Å; V75-K80 HydrophobicContact CG1-CG 4.17Å; V75-K80 WeakPolarHBondContact O-CE 3.32Å; P76-K80 PolarHBondContact O-N 2.9Å; E77-K80 WeakPolarHBondContact O-CB 3.47Å; E77-K80 PolarHBondContact O-N 3.44Å; E77-K80 WeakPolarHBondContact OE2-CD 3.34Å; E77-K80 IonicContact OE2-NZ 3.91Å; E77-K80 PolarHBondContact OE2-NZ 2.98Å; K80-W83 WeakPolarHBondContact O-CB 3.27Å; K80-W83 PolarHBondContact O-N 3.12Å; K80-Q84 WeakPolarHBondContact O-CG 3.38Å; K80-Q84 PolarHBondContact O-N 2.75Å
81R80.6Confident80.1Confident151 Ų15175.7 Ų75.757%0.5738%0.376SS*.Hα-helixtrans-64.1-40.2177.9-72.2177.6-178-108.41112.5E77 E78 W83 Q84 R85E77-R81 WeakPolarHBondContact O-CG 3.44Å; E77-R81 PolarHBondContact O-N 3.23Å; E78-R81 PolarHBondContact O-N 3.3Å; R81-W83 VanDerWaalsContact C-N 3.29Å; R81-W83 PolarHBondContact O-N 2.85Å; R81-Q84 PolarHBondContact O-N 2.98Å; R81-R85 WeakPolarHBondContact O-CG 3.48Å; R81-R85 PolarHBondContact O-N 3.48Å
82K81.6Confident81Confident123 Ų12380.9 Ų80.954%0.53539%0.393SS..Hα-helixtrans-60.5-42.6174.2-174.1177.9179.4179.40110.7E78 M79 A86E78-K82 PolarHBondContact O-N 3.43Å; M79-K82 PolarHBondContact O-N 3Å; K82-A86 VanDerWaalsContact O-CB 3.31Å; K82-A86 WeakPolarHBondContact O-CB 3.09Å; K82-A86 PolarHBondContact O-N 3.01Å
83W80.5Confident82.2Confident70 Ų7084.9 Ų84.927%0.26541%0.411SS..Hα-helixtrans-66.7-44.3177.1-82.838.7000112.7P68 M79 K80 R81 R85 A86 L87P68-W83 HydrophobicContact CB-CE3 4.06Å; P68-W83 HydrophobicContact CB-CH2 3.29Å; P68-W83 HydrophobicContact CB-CZ2 4.44Å; P68-W83 HydrophobicContact CB-CZ3 3.07Å; P68-W83 HydrophobicContact CG-CH2 3.75Å; P68-W83 HydrophobicContact CG-CZ3 3.91Å; M79-W83 HydrophobicContact CE-CZ2 4.4Å; M79-W83 WeakPolarHBondContact O-CB 3.3Å; M79-W83 PolarHBondContact O-N 3.27Å; K80-W83 WeakPolarHBondContact O-CB 3.27Å; K80-W83 PolarHBondContact O-N 3.12Å; R81-W83 VanDerWaalsContact C-N 3.29Å; R81-W83 PolarHBondContact O-N 2.85Å; W83-R85 PolarHBondContact O-N 3.33Å; W83-A86 PolarHBondContact O-N 3.37Å; W83-L87 WeakPolarHBondContact O-CB 2.9Å; W83-L87 VanDerWaalsContact O-CG 3.31Å; W83-L87 WeakPolarHBondContact O-CG 3.21Å; W83-L87 PolarHBondContact O-N 2.92Å
84Q81.6Confident83.8Confident55 Ų5581.8 Ų81.826%0.25738%0.379SS..Hα-helixtrans-57.3-47.8174.5-79.4174.6-40.400111.9K80 R81 A86 L87 G88 W120K80-Q84 WeakPolarHBondContact O-CG 3.38Å; K80-Q84 PolarHBondContact O-N 2.75Å; R81-Q84 PolarHBondContact O-N 2.98Å; Q84-A86 PolarHBondContact O-N 3.49Å; Q84-L87 PolarHBondContact O-N 3.49Å; Q84-G88 PolarHBondContact O-N 2.91Å; Q84-W120 HydrophobicContact CB-CH2 4.21Å
85R85.4Confident85.2Confident180 Ų18079.8 Ų79.868%0.67937%0.369SS*.Hα-helixtrans-61-44.8176.6-74.9-173.1-70.5177.7-2.3112.2R81 W83 L87 G88 E89R81-R85 WeakPolarHBondContact O-CG 3.48Å; R81-R85 PolarHBondContact O-N 3.48Å; W83-R85 PolarHBondContact O-N 3.33Å; R85-L87 VanDerWaalsContact C-N 3.32Å; R85-L87 PolarHBondContact O-N 3.02Å; R85-G88 PolarHBondContact O-N 3.2Å; R85-E89 WeakPolarHBondContact O-CB 3.49Å; R85-E89 PolarHBondContact O-N 3.34Å
86A87Confident86.6Confident25 Ų2578 Ų7821%0.20736%0.359CS..Hα-helixtrans-64.4-36.5178.400000112.3I6 K82 W83 Q84 Y90I6-A86 WeakPolarHBondContact CD1-O 3.35Å; I6-A86 HydrophobicContact CG1-CB 4.11Å; I6-A86 WeakPolarHBondContact CG1-O 3.27Å; K82-A86 VanDerWaalsContact O-CB 3.31Å; K82-A86 WeakPolarHBondContact O-CB 3.09Å; K82-A86 PolarHBondContact O-N 3.01Å; W83-A86 PolarHBondContact O-N 3.37Å; Q84-A86 PolarHBondContact O-N 3.49Å; A86-Y90 WeakPolarHBondContact O-CB 3.4Å; A86-Y90 PolarHBondContact O-N 2.98Å
87L88.3Confident87.6Confident18 Ų1874.2 Ų74.29%0.09433%0.334CS..Hα-helixtrans-69.5-44.9174.8-73168.4000111.6L67 W83 Q84 R85 E89 Y90 L91 M117L67-L87 HydrophobicContact CD1-CD2 3.94Å; L67-L87 HydrophobicContact CD2-CD2 4.11Å; L67-L87 HydrophobicContact CG-CD2 4.44Å; W83-L87 WeakPolarHBondContact O-CB 2.9Å; W83-L87 VanDerWaalsContact O-CG 3.31Å; W83-L87 WeakPolarHBondContact O-CG 3.21Å; W83-L87 PolarHBondContact O-N 2.92Å; Q84-L87 PolarHBondContact O-N 3.49Å; R85-L87 VanDerWaalsContact C-N 3.32Å; R85-L87 PolarHBondContact O-N 3.02Å; L87-E89 PolarHBondContact O-N 2.94Å; L87-Y90 WeakPolarHBondContact O-CB 3.4Å; L87-Y90 PolarHBondContact O-N 3.42Å; L87-L91 WeakPolarHBondContact O-CG 3.49Å; L87-L91 PolarHBondContact O-N 3.17Å; L87-M117 HydrophobicContact CB-SD 4.28Å; L87-M117 HydrophobicContact CD1-SD 4.41Å
88G89.6Confident88.3Confident14 Ų1474.7 Ų74.714%0.14434%0.336CS..Hα-helixtrans-57.9-47.3174.900000111.9Q84 R85 Y90 L91 E92Q84-G88 PolarHBondContact O-N 2.91Å; R85-G88 PolarHBondContact O-N 3.2Å; G88-Y90 VanDerWaalsContact C-N 3.29Å; G88-Y90 PolarHBondContact O-N 2.87Å; G88-L91 PolarHBondContact O-N 3.33Å; G88-E92 WeakPolarHBondContact O-CB 3.49Å; G88-E92 PolarHBondContact O-N 3.08Å
89E91.9Very high89.1Confident79 Ų7967.5 Ų67.537%0.36931%0.305SS..Hα-helixtrans-60.9-37.7176179.9169-151.300112.6I6 R85 L87 E92 K93I6-E89 HydrophobicContact CD1-CB 4.25Å; I6-E89 HydrophobicContact CD1-CG 4.19Å; R85-E89 WeakPolarHBondContact O-CB 3.49Å; R85-E89 PolarHBondContact O-N 3.34Å; L87-E89 PolarHBondContact O-N 2.94Å; E89-E92 PolarHBondContact O-N 3.15Å; E89-K93 HydrophobicContact CG-CD 3.75Å; E89-K93 HydrophobicContact CG-CG 4.25Å; E89-K93 VanDerWaalsContact O-CB 3.31Å; E89-K93 WeakPolarHBondContact O-CB 3.15Å; E89-K93 WeakPolarHBondContact O-CG 3.31Å; E89-K93 PolarHBondContact O-N 2.89Å; E89-K93 IonicContact OE1-NZ 3.73Å; E89-K93 PolarHBondContact OE1-NZ 3.48Å
90Y93.7Very high90.1Very high4 Ų463.2 Ų63.22%0.01628%0.284CS..Hα-helixtrans-66-43.6175.4172.3-105.8000112.3I6 L9 E16 A18 L67 A86 L87 G88 E92 R94 L97I6-Y90 HydrophobicContact CB-CD2 4.16Å; I6-Y90 HydrophobicContact CB-CG 4.37Å; I6-Y90 HydrophobicContact CG2-CD2 3.96Å; I6-Y90 HydrophobicContact CG2-CG 3.83Å; L9-Y90 HydrophobicContact CD1-CD2 3.76Å; L9-Y90 HydrophobicContact CD1-CE2 3.42Å; L9-Y90 VanDerWaalsContact CD1-CE2 3.42Å; E16-Y90 PolarHBondContact OE2-OH 2.75Å; A18-Y90 HydrophobicContact CB-CE1 4.03Å; L67-Y90 HydrophobicContact CD1-CE1 4.45Å; L67-Y90 HydrophobicContact CD2-CE1 4.22Å; A86-Y90 WeakPolarHBondContact O-CB 3.4Å; A86-Y90 PolarHBondContact O-N 2.98Å; L87-Y90 WeakPolarHBondContact O-CB 3.4Å; L87-Y90 PolarHBondContact O-N 3.42Å; G88-Y90 VanDerWaalsContact C-N 3.29Å; G88-Y90 PolarHBondContact O-N 2.87Å; Y90-E92 VanDerWaalsContact C-N 3.33Å; Y90-R94 HydrophobicContact CD2-CB 3.79Å; Y90-R94 HydrophobicContact CD2-CG 3.92Å; Y90-R94 HydrophobicContact CE2-CB 3.89Å; Y90-R94 HydrophobicContact CE2-CG 3.54Å; Y90-R94 WeakPolarHBondContact O-CB 2.89Å; Y90-R94 PolarHBondContact O-N 3.17Å; Y90-L97 HydrophobicContact CD1-CD2 3.95Å; Y90-L97 HydrophobicContact CE1-CD1 4.21Å; Y90-L97 HydrophobicContact CE1-CD2 3.56Å; Y90-L97 HydrophobicContact CE1-CG 4.42Å
91L94.2Very high91.1Very high4 Ų460.8 Ų60.82%0.02127%0.274CS..Hα-helixtrans-63.4-40.7175.2-64.4-176.9000111.5L87 G88 L97 L100 M117 W120 A121 S124 I126L87-L91 WeakPolarHBondContact O-CG 3.49Å; L87-L91 PolarHBondContact O-N 3.17Å; G88-L91 PolarHBondContact O-N 3.33Å; L91-L97 HydrophobicContact CD2-CD2 3.58Å; L91-L100 HydrophobicContact CD1-CD2 4.43Å; L91-L100 HydrophobicContact CD2-CD1 4.3Å; L91-L100 HydrophobicContact CD2-CD2 4.22Å; L91-M117 HydrophobicContact CD1-CE 3.74Å; L91-M117 HydrophobicContact CD1-SD 4.25Å; L91-M117 HydrophobicContact CD2-CE 4.41Å; L91-M117 HydrophobicContact CG-CE 4.35Å; L91-W120 HydrophobicContact CD1-CB 3.64Å; L91-W120 HydrophobicContact CD1-CE3 4.35Å; L91-A121 HydrophobicContact CD1-CB 4.42Å; L91-S124 WeakPolarHBondContact O-CB 3.4Å; L91-I126 HydrophobicContact CB-CD1 4.12Å; L91-I126 HydrophobicContact CD2-CD1 4.15Å; L91-I126 WeakPolarHBondContact O-CD1 3.29Å
92E93.5Very high91.9Very high134 Ų13453.6 Ų53.663%0.62625%0.247SC*.Hα-helixtrans-75.4-40.5-175.7-174.4-175.6-166.800113G88 E89 Y90G88-E92 WeakPolarHBondContact O-CB 3.49Å; G88-E92 PolarHBondContact O-N 3.08Å; E89-E92 PolarHBondContact O-N 3.15Å; Y90-E92 VanDerWaalsContact C-N 3.33Å
93K93.5Very high92.5Very high114 Ų11447.7 Ų47.750%0.49622%0.221SC..Hα-helixtrans-105.5-24.8-165.5-58.9-171.8-171.6168.50115E89 Q95E89-K93 HydrophobicContact CG-CD 3.75Å; E89-K93 HydrophobicContact CG-CG 4.25Å; E89-K93 VanDerWaalsContact O-CB 3.31Å; E89-K93 WeakPolarHBondContact O-CB 3.15Å; E89-K93 WeakPolarHBondContact O-CG 3.31Å; E89-K93 PolarHBondContact O-N 2.89Å; E89-K93 IonicContact OE1-NZ 3.73Å; E89-K93 PolarHBondContact OE1-NZ 3.48Å; K93-Q95 PolarHBondContact O-N 2.91Å; K93-Q95 VanDerWaalsContact O-N 3.17Å; K93-Q95 PolarHBondContact O-NE2 3.45Å
94R96Very high93.2Very high32 Ų3244.5 Ų44.512%0.12121%0.209CC..  trans-75.1104.8-172.9-17179.9170.6166.64.7110.6P10 S11 D12 E16 Y90 S96 L97P10-R94 PolarHBondContact O-NH1 3.43Å; P10-R94 PolarHBondContact O-NH2 3.21Å; S11-R94 PolarHBondContact O-NH2 3.13Å; D12-R94 VanDerWaalsContact OD1-CD 3.3Å; D12-R94 WeakPolarHBondContact OD1-CD 3.47Å; D12-R94 WeakPolarHBondContact OD1-CG 3.24Å; D12-R94 IonicContact OD1-CZ 3.64Å; D12-R94 IonicContact OD1-NE 2.69Å; D12-R94 PolarHBondContact OD1-NE 3.48Å; D12-R94 WeakPolarHBondContact OD2-CA 3.42Å; E16-R94 IonicContact OE1-CZ 2.82Å; E16-R94 IonicContact OE1-NE 3.77Å; E16-R94 IonicContact OE1-NH2 3.48Å; E16-R94 PolarHBondContact OE1-NH2 3.35Å; E16-R94 IonicContact OE2-CZ 2.84Å; E16-R94 IonicContact OE2-NE 3.83Å; E16-R94 PolarHBondContact OE2-NE 2.93Å; E16-R94 VanDerWaalsContact OE2-NE 3.1Å; E16-R94 IonicContact OE2-NH2 3.56Å; Y90-R94 HydrophobicContact CD2-CB 3.79Å; Y90-R94 HydrophobicContact CD2-CG 3.92Å; Y90-R94 HydrophobicContact CE2-CB 3.89Å; Y90-R94 HydrophobicContact CE2-CG 3.54Å; Y90-R94 WeakPolarHBondContact O-CB 2.89Å; Y90-R94 PolarHBondContact O-N 3.17Å; R94-S96 VanDerWaalsContact C-N 3.35Å; R94-S96 PolarHBondContact NE-OG 2.86Å; R94-S96 PolarHBondContact O-N 2.9Å; R94-L97 HydrophobicContact CB-CB 4Å; R94-L97 HydrophobicContact CG-CB 3.98Å; R94-L97 WeakPolarHBondContact O-CB 3.1Å; R94-L97 PolarHBondContact O-N 2.85Å; R94-L97 VanDerWaalsContact O-N 3.1Å
95Q95.4Very high93.8Very high133 Ų13342.9 Ų42.962%0.62120%0.202SC*.THydrogen-bonded Turntrans-67.5-33.8-175.1-61.2-55.6-64.900113.3D12 K93 L97 Q98D12-Q95 VanDerWaalsContact CG-N 3.35Å; D12-Q95 PolarHBondContact OD1-N 2.95Å; D12-Q95 PolarHBondContact OD2-N 3.39Å; K93-Q95 PolarHBondContact O-N 2.91Å; K93-Q95 VanDerWaalsContact O-N 3.17Å; K93-Q95 PolarHBondContact O-NE2 3.45Å; Q95-L97 PolarHBondContact O-N 3.21Å; Q95-Q98 PolarHBondContact O-NE2 3.2Å
96S96.8Very high94.2Very high2 Ų234.3 Ų34.31%0.01417%0.17CC..THydrogen-bonded Turntrans-69.9-19.317657.90000112.2D12 T13 G14 I15 E16 R94 Q98D12-S96 WeakPolarHBondContact OD1-CB 3.47Å; D12-S96 PolarHBondContact OD1-N 3.03Å; D12-S96 PolarHBondContact OD1-OG 3.44Å; T13-S96 WeakPolarHBondContact O-CB 3.3Å; G14-S96 WeakPolarHBondContact O-CA 3.45Å; G14-S96 WeakPolarHBondContact O-CB 3.5Å; I15-S96 CarbonylContact C-O 3.59Å; I15-S96 WeakPolarHBondContact CA-O 3.33Å; E16-S96 PolarHBondContact N-O 3.45Å; E16-S96 PolarHBondContact OE1-OG 2.84Å; E16-S96 PolarHBondContact OE2-OG 2.85Å; R94-S96 VanDerWaalsContact C-N 3.35Å; R94-S96 PolarHBondContact NE-OG 2.86Å; R94-S96 PolarHBondContact O-N 2.9Å; S96-Q98 PolarHBondContact O-N 3.48Å
97L97.4Very high94.6Very high6 Ų637.5 Ų37.53%0.03118%0.177CC..EExtended strand (participates in β ladder)trans-74.5111.2176.3-178.564.6000110.7E16 A18 Y90 L91 R94 Q95 G99 I126E16-L97 HydrophobicContact CB-CD1 4.4Å; A18-L97 HydrophobicContact CB-CD1 3.64Å; Y90-L97 HydrophobicContact CD1-CD2 3.95Å; Y90-L97 HydrophobicContact CE1-CD1 4.21Å; Y90-L97 HydrophobicContact CE1-CD2 3.56Å; Y90-L97 HydrophobicContact CE1-CG 4.42Å; L91-L97 HydrophobicContact CD2-CD2 3.58Å; R94-L97 HydrophobicContact CB-CB 4Å; R94-L97 HydrophobicContact CG-CB 3.98Å; R94-L97 WeakPolarHBondContact O-CB 3.1Å; R94-L97 PolarHBondContact O-N 2.85Å; R94-L97 VanDerWaalsContact O-N 3.1Å; Q95-L97 PolarHBondContact O-N 3.21Å; L97-G99 VanDerWaalsContact CD1-O 3.3Å; L97-G99 WeakPolarHBondContact CD1-O 3.28Å; L97-I126 HydrophobicContact CD2-CD1 3.56Å; L97-I126 HydrophobicContact CG-CD1 3.95Å
98Q96.5Very high94.8Very high112 Ų11241.8 Ų41.852%0.52320%0.196SC..EExtended strand (participates in β ladder)trans-117.4-9.9-176.2-63.3-66.2-30.500112.6I15 E16 Q95 S96I15-Q98 HydrophobicContact CG2-CB 4.15Å; I15-Q98 HydrophobicContact CG2-CG 4.26Å; E16-Q98 PolarHBondContact O-N 2.83Å; Q95-Q98 PolarHBondContact O-NE2 3.2Å; S96-Q98 PolarHBondContact O-N 3.48Å
99G96.9Very high95Very high9 Ų941.8 Ų41.89%0.09319%0.193CC..EExtended strand (participates in β ladder)trans-153.5147178.200000113.5E16 V17 A18 L97 A127E16-G99 PolarHBondContact O-N 3.41Å; V17-G99 CarbonylContact C-O 3.54Å; V17-G99 WeakPolarHBondContact CA-O 3.46Å; A18-G99 PolarHBondContact N-O 2.85Å; L97-G99 VanDerWaalsContact CD1-O 3.3Å; L97-G99 WeakPolarHBondContact CD1-O 3.28Å; G99-A127 CarbonylContact C-O 3.54Å; G99-A127 VanDerWaalsContact CA-O 3.27Å; G99-A127 WeakPolarHBondContact CA-O 3.41Å
100L97.2Very high95.1Very high1 Ų139 Ų391%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-124.4120.3175.4-178.367.6000110.4A18 A20 L91 V102 M117 A121 I126 A127 V128 L129A18-L100 HydrophobicContact CB-CD1 3.9Å; A18-L100 CarbonylContact O-C 3.47Å; A20-L100 HydrophobicContact CB-CD1 3.9Å; L91-L100 HydrophobicContact CD1-CD2 4.43Å; L91-L100 HydrophobicContact CD2-CD1 4.3Å; L91-L100 HydrophobicContact CD2-CD2 4.22Å; L100-V102 HydrophobicContact CD2-CG2 3.7Å; L100-V102 HydrophobicContact CG-CG2 3.8Å; L100-M117 HydrophobicContact CD1-CE 4.5Å; L100-M117 HydrophobicContact CD2-CE 4.26Å; L100-A121 HydrophobicContact CB-CB 4.37Å; L100-A121 HydrophobicContact CD2-CB 3.64Å; L100-I126 HydrophobicContact CB-CG2 3.97Å; L100-A127 PolarHBondContact N-O 3.43Å; L100-V128 CarbonylContact O-C 3.31Å; L100-V128 WeakPolarHBondContact O-CA 3.38Å; L100-L129 PolarHBondContact O-N 2.94Å
101V96.8Very high95.1Very high10 Ų1043.1 Ų43.16%0.06120%0.199CC..EExtended strand (participates in β ladder)trans-96.7113.4169.8-173.50000109V17 A18 F19 A20 L103 L129 L131V17-V101 HydrophobicContact CG1-CG2 3.82Å; A18-V101 PolarHBondContact O-N 2.69Å; F19-V101 WeakPolarHBondContact CA-O 3.47Å; F19-V101 HydrophobicContact CD1-CB 4.01Å; F19-V101 HydrophobicContact CD1-CG1 4.13Å; F19-V101 HydrophobicContact CD1-CG2 4.5Å; F19-V101 HydrophobicContact CD2-CB 4.46Å; F19-V101 HydrophobicContact CD2-CG2 4.45Å; F19-V101 HydrophobicContact CE1-CB 3.99Å; F19-V101 HydrophobicContact CE1-CG1 3.95Å; F19-V101 HydrophobicContact CE1-CG2 4.07Å; F19-V101 HydrophobicContact CE2-CB 4.44Å; F19-V101 HydrophobicContact CE2-CG2 4.01Å; F19-V101 HydrophobicContact CG-CB 4.23Å; F19-V101 HydrophobicContact CZ-CB 4.2Å; F19-V101 HydrophobicContact CZ-CG2 3.79Å; A20-V101 PolarHBondContact N-O 2.72Å; V101-L103 HydrophobicContact CG1-CD1 3.94Å; V101-L103 HydrophobicContact CG1-CG 4.47Å; V101-L129 CarbonylContact C-O 3.53Å; V101-L129 VanDerWaalsContact CA-O 3.28Å; V101-L129 WeakPolarHBondContact CA-O 3.28Å; V101-L129 HydrophobicContact CG1-CD2 4.45Å; V101-L129 HydrophobicContact CG1-CG 4.5Å; V101-L129 HydrophobicContact CG2-CB 4.29Å; V101-L129 HydrophobicContact CG2-CD2 4.34Å; V101-L131 HydrophobicContact CG1-CB 4.16Å; V101-L131 HydrophobicContact CG1-CD2 4.48Å
102V95.9Very high94.9Very high0 Ų049.2 Ų49.20%023%0.232CC..EExtended strand (participates in β ladder)trans-100.1108178.3-174.40000109.5L100 M104 D114 I118 V128 L129 L131L100-V102 HydrophobicContact CD2-CG2 3.7Å; L100-V102 HydrophobicContact CG-CG2 3.8Å; V102-M104 HydrophobicContact CG1-CG 4.33Å; V102-D114 HydrophobicContact CG1-CB 4.49Å; V102-I118 HydrophobicContact CG2-CG1 4.09Å; V102-V128 HydrophobicContact CG2-CG1 4.13Å; V102-L129 PolarHBondContact N-O 2.81Å; V102-L131 PolarHBondContact O-N 2.93Å
103L95.6Very high94.8Very high0 Ų044.5 Ų44.50%021%0.21CC..EExtended strand (participates in β ladder)trans-89.2128178.3-67.794.6000111.4F19 A20 G21 A25 K27 A30 V101 L131 T133F19-L103 HydrophobicContact CB-CD1 4.31Å; F19-L103 HydrophobicContact CD1-CD1 3.75Å; F19-L103 HydrophobicContact CG-CD1 4.47Å; A20-L103 PolarHBondContact O-N 2.87Å; G21-L103 WeakPolarHBondContact CA-O 3.48Å; A25-L103 HydrophobicContact CB-CB 4.33Å; A25-L103 WeakPolarHBondContact CB-O 3.47Å; K27-L103 HydrophobicContact CB-CD1 4.39Å; K27-L103 HydrophobicContact CB-CD2 4.46Å; K27-L103 HydrophobicContact CG-CD1 4.34Å; A30-L103 HydrophobicContact CB-CD2 3.52Å; V101-L103 HydrophobicContact CG1-CD1 3.94Å; V101-L103 HydrophobicContact CG1-CG 4.47Å; L103-L131 WeakPolarHBondContact CA-O 3.33Å; L103-L131 HydrophobicContact CD2-CD2 3.97Å; L103-L131 HydrophobicContact CG-CB 4.25Å; L103-L131 HydrophobicContact CG-CD2 4.19Å; L103-T133 HydrophobicContact CB-CG2 4.39Å; L103-T133 HydrophobicContact CD2-CG2 3.77Å; L103-T133 HydrophobicContact CG-CG2 4.5Å
104M94.7Very high94.7Very high2 Ų239.1 Ų39.11%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-128143.4178.6-62.8-176.8-84.200111.1V102 I106 P109 L110 D114 V130 L131 L132 T133 V150V102-M104 HydrophobicContact CG1-CG 4.33Å; M104-I106 PolarHBondContact O-N 3.36Å; M104-P109 HydrophobicContact CB-CB 4.26Å; M104-P109 HydrophobicContact SD-CB 4.05Å; M104-L110 HydrophobicContact CE-CD2 4.05Å; M104-L110 HydrophobicContact SD-CD2 4.17Å; M104-L110 HydrophobicContact SD-CG 4.37Å; M104-L110 PolarHBondContact SD-N 2.83Å; M104-D114 HydrophobicContact CG-CB 4.14Å; M104-D114 HydrophobicContact SD-CB 3.63Å; M104-V130 HydrophobicContact CE-CB 4.21Å; M104-V130 HydrophobicContact CE-CG1 3.12Å; M104-V130 HydrophobicContact CE-CG2 4.1Å; M104-L131 PolarHBondContact N-O 2.98Å; M104-L132 HydrophobicContact CB-CD2 3.91Å; M104-L132 HydrophobicContact CE-CD2 4.06Å; M104-T133 PolarHBondContact O-N 3.12Å; M104-T133 PolarHBondContact O-OG1 2.88Å; M104-T133 VanDerWaalsContact O-OG1 3.04Å; M104-V150 HydrophobicContact CE-CG1 4.37Å
105D93.1Very high94.6Very high22 Ų2241 Ų4112%0.11820%0.197CC..EExtended strand (participates in β ladder)trans-69.4121.3167.4-171.9-38.1000108.4R107 H108 K134D105-R107 PolarHBondContact O-N 3.25Å; D105-R107 WeakPolarHBondContact OD1-CB 3.47Å; D105-R107 WeakPolarHBondContact OD1-CG 2.98Å; D105-R107 IonicContact OD1-CZ 3.1Å; D105-R107 PolarHBondContact OD1-N 3.16Å; D105-R107 VanDerWaalsContact OD1-N 3.08Å; D105-R107 IonicContact OD1-NE 2.86Å; D105-R107 PolarHBondContact OD1-NE 2.92Å; D105-R107 IonicContact OD1-NH2 3.56Å; D105-R107 IonicContact OD2-CZ 3.42Å; D105-R107 IonicContact OD2-NE 2.54Å; D105-R107 PolarHBondContact OD2-NE 2.82Å; D105-R107 IonicContact OD2-NH2 2.75Å; D105-R107 PolarHBondContact OD2-NH2 2.67Å; D105-H108 CarbonylContact O-C 3.58Å; D105-H108 VanDerWaalsContact O-C 3.31Å; D105-H108 PolarHBondContact O-N 3.23Å; D105-K134 HydrophobicContact CB-CD 4.36Å; D105-K134 WeakPolarHBondContact OD2-CD 3.37Å; D105-K134 IonicContact OD2-NZ 3.8Å; D105-K134 PolarHBondContact OD2-NZ 3.39Å
106I94.8Very high94.4Very high0 Ų037.3 Ų37.30%018%0.18CC..THydrogen-bonded Turntrans-57.5-20.6-176.5-165.7165.2000114.1M104 H108 P109 L132 T133 K134 A135 L138 R143 Q146M104-I106 PolarHBondContact O-N 3.36Å; I106-H108 VanDerWaalsContact C-N 3.27Å; I106-P109 WeakPolarHBondContact O-CD 3.22Å; I106-L132 HydrophobicContact CB-CB 4.31Å; I106-L132 HydrophobicContact CD1-CB 4.42Å; I106-L132 HydrophobicContact CD1-CD1 4.31Å; I106-L132 HydrophobicContact CG1-CB 4.34Å; I106-L132 HydrophobicContact CG1-CD1 4.06Å; I106-T133 VanDerWaalsContact CB-O 3.29Å; I106-T133 WeakPolarHBondContact CB-O 3.39Å; I106-T133 VanDerWaalsContact CG2-O 3.31Å; I106-T133 WeakPolarHBondContact CG2-O 3.29Å; I106-T133 PolarHBondContact N-O 3.38Å; I106-K134 VanDerWaalsContact CG2-O 3.22Å; I106-K134 WeakPolarHBondContact CG2-O 3.35Å; I106-A135 HydrophobicContact CD1-CB 4.41Å; I106-L138 HydrophobicContact CB-CD1 4.39Å; I106-L138 HydrophobicContact CD1-CD1 4.39Å; I106-L138 HydrophobicContact CG1-CD1 3.92Å; I106-L138 HydrophobicContact CG2-CD1 3.79Å; I106-L138 HydrophobicContact CG2-CG 4.09Å; I106-R143 HydrophobicContact CD1-CG 3.7Å; I106-Q146 HydrophobicContact CG1-CB 3.92Å; I106-Q146 WeakPolarHBondContact O-CG 3.37Å
107R94.4Very high94.2Very high92 Ų9237.4 Ų37.435%0.34718%0.18SC..THydrogen-bonded Turntrans-73-25.3178.1-63.8174.2-72.6171.310.1112.1D105 K137 L138D105-R107 PolarHBondContact O-N 3.25Å; D105-R107 WeakPolarHBondContact OD1-CB 3.47Å; D105-R107 WeakPolarHBondContact OD1-CG 2.98Å; D105-R107 IonicContact OD1-CZ 3.1Å; D105-R107 PolarHBondContact OD1-N 3.16Å; D105-R107 VanDerWaalsContact OD1-N 3.08Å; D105-R107 IonicContact OD1-NE 2.86Å; D105-R107 PolarHBondContact OD1-NE 2.92Å; D105-R107 IonicContact OD1-NH2 3.56Å; D105-R107 IonicContact OD2-CZ 3.42Å; D105-R107 IonicContact OD2-NE 2.54Å; D105-R107 PolarHBondContact OD2-NE 2.82Å; D105-R107 IonicContact OD2-NH2 2.75Å; D105-R107 PolarHBondContact OD2-NH2 2.67Å; R107-K137 HydrophobicContact CG-CB 4.18Å; R107-L138 HydrophobicContact CG-CD2 3.97Å; R107-L138 HydrophobicContact CG-CG 4.04Å
108H92.7Very high94.1Very high108 Ų10837.1 Ų37.150%0.518%0.179SC..SBendtrans-145.654.2-171.3-54.8-51000111.8D105 I106D105-H108 CarbonylContact O-C 3.58Å; D105-H108 VanDerWaalsContact O-C 3.31Å; D105-H108 PolarHBondContact O-N 3.23Å; I106-H108 VanDerWaalsContact C-N 3.27Å
109P94.5Very high94Very high13 Ų1336 Ų368%0.08417%0.173CC..  trans-74.5166.4-179.535.1-36.5000111.4M104 I106 K111 L132 Q146 M149 V150M104-P109 HydrophobicContact CB-CB 4.26Å; M104-P109 HydrophobicContact SD-CB 4.05Å; I106-P109 WeakPolarHBondContact O-CD 3.22Å; P109-K111 VanDerWaalsContact C-N 3.34Å; P109-K111 PolarHBondContact O-N 2.84Å; P109-L132 HydrophobicContact CB-CD2 3.87Å; P109-Q146 VanDerWaalsContact CD-OE1 3.31Å; P109-Q146 VanDerWaalsContact CG-OE1 3.25Å; P109-M149 HydrophobicContact CG-CE 3.62Å; P109-V150 HydrophobicContact CB-CG2 3.57Å; P109-V150 HydrophobicContact CG-CG2 3.46Å; P109-V150 VanDerWaalsContact CG-CG2 3.46Å
110L94Very high93.8Very high20 Ų2038.7 Ų38.711%0.10518%0.181CC..SBendtrans5644.8174.6-58.2170.6000112.5M104 D114 Q115 I118 M149 V150 A153 F157M104-L110 HydrophobicContact CE-CD2 4.05Å; M104-L110 HydrophobicContact SD-CD2 4.17Å; M104-L110 HydrophobicContact SD-CG 4.37Å; M104-L110 PolarHBondContact SD-N 2.83Å; L110-D114 PolarHBondContact N-OD2 3.07Å; L110-Q115 HydrophobicContact CB-CG 4.11Å; L110-Q115 HydrophobicContact CD2-CG 4.38Å; L110-Q115 PolarHBondContact O-NE2 3.02Å; L110-I118 HydrophobicContact CD2-CD1 4.2Å; L110-M149 HydrophobicContact CD1-SD 3.9Å; L110-V150 HydrophobicContact CD1-CB 4.44Å; L110-V150 HydrophobicContact CD1-CG1 4.35Å; L110-V150 HydrophobicContact CD1-CG2 4.14Å; L110-V150 HydrophobicContact CG-CG1 4.48Å; L110-V150 HydrophobicContact CG-CG2 4.39Å; L110-A153 HydrophobicContact CD1-CB 3.4Å; L110-F157 HydrophobicContact CD2-CE2 4.45Å
111K93.5Very high93.7Very high91 Ų9138.7 Ų38.740%0.39618%0.181SC..  trans-68.7162.6165.6-63.3-63.3-179.9-178.10109.9P109 L113 D114 Q115P109-K111 VanDerWaalsContact C-N 3.34Å; P109-K111 PolarHBondContact O-N 2.84Å; K111-L113 PolarHBondContact O-N 3.15Å; K111-L113 VanDerWaalsContact O-N 3.1Å; K111-D114 WeakPolarHBondContact CB-OD2 3.36Å; K111-D114 PolarHBondContact N-OD2 3.28Å; K111-D114 WeakPolarHBondContact O-CA 3.47Å; K111-D114 VanDerWaalsContact O-CB 3.3Å; K111-D114 WeakPolarHBondContact O-CB 3.33Å; K111-D114 PolarHBondContact O-N 2.71Å; K111-Q115 PolarHBondContact O-N 3.25Å
112D90.8Very high93.6Very high133 Ų13339.2 Ų39.271%0.71118%0.184SC*.Hα-helixtrans-51.4-42.8-173.7-47-15.3000112.9Q115 Q116D112-Q115 PolarHBondContact O-N 3.04Å; D112-Q116 VanDerWaalsContact O-CB 3.28Å; D112-Q116 WeakPolarHBondContact O-CB 3.48Å; D112-Q116 PolarHBondContact O-N 3.01Å
113L89.7Confident93.5Very high34 Ų3445.2 Ų45.218%0.17822%0.216CC..Hα-helixtrans-71.4-28.9176.9-61.7-179.4000113.6Y70 K111 M117Y70-L113 HydrophobicContact CD2-CB 3.49Å; Y70-L113 VanDerWaalsContact CD2-CB 3.49Å; Y70-L113 HydrophobicContact CD2-CD1 3.69Å; Y70-L113 HydrophobicContact CD2-CG 4.24Å; Y70-L113 HydrophobicContact CE2-CB 3.59Å; Y70-L113 HydrophobicContact CG-CB 4.33Å; Y70-L113 HydrophobicContact CG-CD1 4.27Å; K111-L113 PolarHBondContact O-N 3.15Å; K111-L113 VanDerWaalsContact O-N 3.1Å; L113-M117 WeakPolarHBondContact O-CB 3.26Å; L113-M117 WeakPolarHBondContact O-CG 3.28Å; L113-M117 PolarHBondContact O-N 3.19Å
114D92.8Very high93.4Very high2 Ų246.9 Ų46.91%0.01123%0.228CC..Hα-helixtrans-69-46.7174.8-48.5-35.6000109.1R22 Y70 V102 M104 L110 K111 M117 I118R22-D114 WeakPolarHBondContact CG-OD1 3.43Å; Y70-D114 WeakPolarHBondContact CE2-OD1 3.18Å; Y70-D114 PolarHBondContact OH-OD1 2.92Å; V102-D114 HydrophobicContact CG1-CB 4.49Å; M104-D114 HydrophobicContact CG-CB 4.14Å; M104-D114 HydrophobicContact SD-CB 3.63Å; L110-D114 PolarHBondContact N-OD2 3.07Å; K111-D114 WeakPolarHBondContact CB-OD2 3.36Å; K111-D114 PolarHBondContact N-OD2 3.28Å; K111-D114 WeakPolarHBondContact O-CA 3.47Å; K111-D114 VanDerWaalsContact O-CB 3.3Å; K111-D114 WeakPolarHBondContact O-CB 3.33Å; K111-D114 PolarHBondContact O-N 2.71Å; D114-M117 PolarHBondContact O-N 3.15Å; D114-I118 VanDerWaalsContact O-CG1 3.29Å; D114-I118 WeakPolarHBondContact O-CG1 3.32Å; D114-I118 PolarHBondContact O-N 3.27Å; D114-I118 VanDerWaalsContact O-N 3.15Å
115Q93.9Very high93.3Very high70 Ų7054 Ų5433%0.32727%0.266SS..Hα-helixtrans-63-48.5178.9-63.4-176.261.500111.3L110 K111 D112 M117 I118 E119 F157L110-Q115 HydrophobicContact CB-CG 4.11Å; L110-Q115 HydrophobicContact CD2-CG 4.38Å; L110-Q115 PolarHBondContact O-NE2 3.02Å; K111-Q115 PolarHBondContact O-N 3.25Å; D112-Q115 PolarHBondContact O-N 3.04Å; Q115-M117 VanDerWaalsContact C-N 3.28Å; Q115-M117 PolarHBondContact O-N 3.22Å; Q115-I118 WeakPolarHBondContact O-CB 3.42Å; Q115-I118 PolarHBondContact O-N 3.3Å; Q115-E119 WeakPolarHBondContact O-CG 3.24Å; Q115-E119 PolarHBondContact O-N 3.41Å; Q115-F157 HydrophobicContact CB-CZ 4.16Å; Q115-F157 HydrophobicContact CG-CZ 4.19Å
116Q91.7Very high93.5Very high56 Ų5653.4 Ų53.426%0.26226%0.263SS..Hα-helixtrans-56-40.8176.9175.9171.367.900112.8D112 W120D112-Q116 VanDerWaalsContact O-CB 3.28Å; D112-Q116 WeakPolarHBondContact O-CB 3.48Å; D112-Q116 PolarHBondContact O-N 3.01Å; Q116-W120 HydrophobicContact CG-CD2 3.85Å; Q116-W120 HydrophobicContact CG-CE3 3.92Å; Q116-W120 HydrophobicContact CG-CH2 3.58Å; Q116-W120 HydrophobicContact CG-CZ2 3.49Å; Q116-W120 VanDerWaalsContact CG-CZ2 3.49Å; Q116-W120 HydrophobicContact CG-CZ3 3.79Å; Q116-W120 PolarHBondContact O-N 2.83Å
117M92.4Very high93.5Very high5 Ų555.1 Ų55.13%0.02528%0.277CS..Hα-helixtrans-68.2-35177.2-73.6-65.4-61.400112.5A20 Y70 L87 L91 L100 L113 D114 Q115 W120 A121A20-M117 HydrophobicContact CB-CE 4.07Å; Y70-M117 HydrophobicContact CE1-CG 4.06Å; L87-M117 HydrophobicContact CB-SD 4.28Å; L87-M117 HydrophobicContact CD1-SD 4.41Å; L91-M117 HydrophobicContact CD1-CE 3.74Å; L91-M117 HydrophobicContact CD1-SD 4.25Å; L91-M117 HydrophobicContact CD2-CE 4.41Å; L91-M117 HydrophobicContact CG-CE 4.35Å; L100-M117 HydrophobicContact CD1-CE 4.5Å; L100-M117 HydrophobicContact CD2-CE 4.26Å; L113-M117 WeakPolarHBondContact O-CB 3.26Å; L113-M117 WeakPolarHBondContact O-CG 3.28Å; L113-M117 PolarHBondContact O-N 3.19Å; D114-M117 PolarHBondContact O-N 3.15Å; Q115-M117 VanDerWaalsContact C-N 3.28Å; Q115-M117 PolarHBondContact O-N 3.22Å; M117-W120 HydrophobicContact SD-CE3 3.91Å; M117-W120 HydrophobicContact SD-CZ3 4.04Å; M117-A121 WeakPolarHBondContact O-CB 3.48Å; M117-A121 PolarHBondContact O-N 3.23Å
118I94.5Very high93.6Very high0 Ų051 Ų510%026%0.261CS..Hα-helixtrans-69-46.9176-64.2163.8000109.6V102 L110 D114 Q115 A121 V122 V128 V130 F157 V161V102-I118 HydrophobicContact CG2-CG1 4.09Å; L110-I118 HydrophobicContact CD2-CD1 4.2Å; D114-I118 VanDerWaalsContact O-CG1 3.29Å; D114-I118 WeakPolarHBondContact O-CG1 3.32Å; D114-I118 PolarHBondContact O-N 3.27Å; D114-I118 VanDerWaalsContact O-N 3.15Å; Q115-I118 WeakPolarHBondContact O-CB 3.42Å; Q115-I118 PolarHBondContact O-N 3.3Å; I118-A121 PolarHBondContact O-N 2.77Å; I118-V122 HydrophobicContact CG2-CG2 4.35Å; I118-V122 WeakPolarHBondContact O-CG2 3.39Å; I118-V122 PolarHBondContact O-N 2.95Å; I118-V128 HydrophobicContact CG1-CG1 4.23Å; I118-V128 HydrophobicContact CG2-CG1 4.42Å; I118-V130 HydrophobicContact CD1-CG2 3.86Å; I118-V130 HydrophobicContact CG1-CG2 4.47Å; I118-F157 HydrophobicContact CB-CE1 4.36Å; I118-F157 HydrophobicContact CB-CE2 4.35Å; I118-F157 HydrophobicContact CB-CZ 4.27Å; I118-F157 HydrophobicContact CD1-CE2 4.06Å; I118-F157 HydrophobicContact CD1-CZ 4.35Å; I118-F157 HydrophobicContact CG2-CB 4.19Å; I118-F157 HydrophobicContact CG2-CD1 3.89Å; I118-F157 HydrophobicContact CG2-CD2 3.57Å; I118-F157 HydrophobicContact CG2-CE1 4.16Å; I118-F157 HydrophobicContact CG2-CE2 3.85Å; I118-F157 HydrophobicContact CG2-CG 3.61Å; I118-F157 HydrophobicContact CG2-CZ 4.14Å; I118-V161 HydrophobicContact CG2-CG1 4.36Å; I118-V161 HydrophobicContact CG2-CG2 4.21Å
119E94Very high93.7Very high87 Ų8748.4 Ų48.441%0.40725%0.251SS..Hα-helixtrans-56-53177.2-70.9167.5-174.500111.3Q115 A121 V122 D123 F157Q115-E119 WeakPolarHBondContact O-CG 3.24Å; Q115-E119 PolarHBondContact O-N 3.41Å; E119-A121 VanDerWaalsContact C-N 3.29Å; E119-A121 PolarHBondContact O-N 2.79Å; E119-V122 PolarHBondContact O-N 3.04Å; E119-V122 VanDerWaalsContact O-N 3.15Å; E119-D123 WeakPolarHBondContact O-CB 3.37Å; E119-D123 PolarHBondContact O-N 3Å; E119-F157 HydrophobicContact CG-CD1 3.78Å; E119-F157 HydrophobicContact CG-CE1 3.58Å
120W93.6Very high93.8Very high67 Ų6747.8 Ų47.825%0.25425%0.247SC..Hα-helixtrans-59.6-38.4178.5-71.8-22.5000113.5Q84 L91 Q116 M117 S124Q84-W120 HydrophobicContact CB-CH2 4.21Å; L91-W120 HydrophobicContact CD1-CB 3.64Å; L91-W120 HydrophobicContact CD1-CE3 4.35Å; Q116-W120 HydrophobicContact CG-CD2 3.85Å; Q116-W120 HydrophobicContact CG-CE3 3.92Å; Q116-W120 HydrophobicContact CG-CH2 3.58Å; Q116-W120 HydrophobicContact CG-CZ2 3.49Å; Q116-W120 VanDerWaalsContact CG-CZ2 3.49Å; Q116-W120 HydrophobicContact CG-CZ3 3.79Å; Q116-W120 PolarHBondContact O-N 2.83Å; M117-W120 HydrophobicContact SD-CE3 3.91Å; M117-W120 HydrophobicContact SD-CZ3 4.04Å; W120-S124 VanDerWaalsContact O-CB 3.26Å; W120-S124 WeakPolarHBondContact O-CB 3.1Å; W120-S124 PolarHBondContact O-N 3Å; W120-S124 PolarHBondContact O-OG 3.4Å
121A95.1Very high93.8Very high0 Ų047.5 Ų47.50%025%0.246CC..Hα-helixtrans-68.1-42.3177.600000111.4L91 L100 M117 I118 E119 S124 N125 I126 V128L91-A121 HydrophobicContact CD1-CB 4.42Å; L100-A121 HydrophobicContact CB-CB 4.37Å; L100-A121 HydrophobicContact CD2-CB 3.64Å; M117-A121 WeakPolarHBondContact O-CB 3.48Å; M117-A121 PolarHBondContact O-N 3.23Å; I118-A121 PolarHBondContact O-N 2.77Å; E119-A121 VanDerWaalsContact C-N 3.29Å; E119-A121 PolarHBondContact O-N 2.79Å; A121-S124 CarbonylContact O-C 3.52Å; A121-S124 PolarHBondContact O-N 2.87Å; A121-N125 PolarHBondContact O-N 3.31Å; A121-N125 VanDerWaalsContact O-N 3.16Å; A121-I126 HydrophobicContact CB-CB 4.12Å; A121-I126 HydrophobicContact CB-CG2 4.39Å; A121-I126 WeakPolarHBondContact O-CB 3.22Å; A121-I126 PolarHBondContact O-N 2.9Å; A121-V128 HydrophobicContact CB-CG2 3.44Å; A121-V128 VanDerWaalsContact CB-CG2 3.44Å
122V94Very high93.9Very high22 Ų2243.1 Ų43.113%0.13323%0.227CC..Hα-helixtrans-63-47.2175.8170.20000111.2I118 E119 S124 N125 V128 F157 V161I118-V122 HydrophobicContact CG2-CG2 4.35Å; I118-V122 WeakPolarHBondContact O-CG2 3.39Å; I118-V122 PolarHBondContact O-N 2.95Å; E119-V122 PolarHBondContact O-N 3.04Å; E119-V122 VanDerWaalsContact O-N 3.15Å; V122-S124 PolarHBondContact O-N 2.83Å; V122-N125 PolarHBondContact O-N 2.98Å; V122-V128 HydrophobicContact CG2-CG2 4.45Å; V122-F157 HydrophobicContact CG2-CB 4.36Å; V122-V161 HydrophobicContact CG2-CG2 3.54Å
123D93.6Very high94Very high125 Ų12536.9 Ų36.967%0.66819%0.193SC*.Hα-helixtrans-59.4-31.2176.6-70.6-18.3000111.8E119 N125E119-D123 WeakPolarHBondContact O-CB 3.37Å; E119-D123 PolarHBondContact O-N 3Å; D123-N125 VanDerWaalsContact C-N 3.31Å
124S94.2Very high94.1Very high35 Ų3536.7 Ų36.725%0.24519%0.191CC..THydrogen-bonded Turntrans-887.1176.7-51.80000113.5L91 W120 A121 V122 I126L91-S124 WeakPolarHBondContact O-CB 3.4Å; W120-S124 VanDerWaalsContact O-CB 3.26Å; W120-S124 WeakPolarHBondContact O-CB 3.1Å; W120-S124 PolarHBondContact O-N 3Å; W120-S124 PolarHBondContact O-OG 3.4Å; A121-S124 CarbonylContact O-C 3.52Å; A121-S124 PolarHBondContact O-N 2.87Å; V122-S124 PolarHBondContact O-N 2.83Å; S124-I126 PolarHBondContact O-N 2.85Å
125N93.4Very high94.1Very high152 Ų15236.6 Ų36.681%0.81319%0.191SC*.THydrogen-bonded Turntrans55.930.2-176.4-59.4-78000114.5A121 V122 D123A121-N125 PolarHBondContact O-N 3.31Å; A121-N125 VanDerWaalsContact O-N 3.16Å; V122-N125 PolarHBondContact O-N 2.98Å; D123-N125 VanDerWaalsContact C-N 3.31Å
126I95.8Very high93.9Very high10 Ų1037.6 Ų37.65%0.05120%0.198CC..  trans-87.6130.3174.9-66.3166.5000109L91 L97 L100 A121 S124 V128L91-I126 HydrophobicContact CB-CD1 4.12Å; L91-I126 HydrophobicContact CD2-CD1 4.15Å; L91-I126 WeakPolarHBondContact O-CD1 3.29Å; L97-I126 HydrophobicContact CD2-CD1 3.56Å; L97-I126 HydrophobicContact CG-CD1 3.95Å; L100-I126 HydrophobicContact CB-CG2 3.97Å; A121-I126 HydrophobicContact CB-CB 4.12Å; A121-I126 HydrophobicContact CB-CG2 4.39Å; A121-I126 WeakPolarHBondContact O-CB 3.22Å; A121-I126 PolarHBondContact O-N 2.9Å; S124-I126 PolarHBondContact O-N 2.85Å; I126-V128 WeakPolarHBondContact O-CG2 3.31Å; I126-V128 PolarHBondContact O-N 2.69Å
127A95.4Very high94Very high36 Ų3640.4 Ų40.430%0.29821%0.21SC..EExtended strand (participates in β ladder)trans-64128.1173.700000110.6G99 L100G99-A127 CarbonylContact C-O 3.54Å; G99-A127 VanDerWaalsContact CA-O 3.27Å; G99-A127 WeakPolarHBondContact CA-O 3.41Å; L100-A127 PolarHBondContact N-O 3.43Å
128V96.3Very high94.1Very high4 Ų441.7 Ų41.72%0.02422%0.217CC..EExtended strand (participates in β ladder)trans-109.4131.5-177-177.90000110.4L100 V102 I118 A121 V122 I126 V130 D160 V161 Q162L100-V128 CarbonylContact O-C 3.31Å; L100-V128 WeakPolarHBondContact O-CA 3.38Å; V102-V128 HydrophobicContact CG2-CG1 4.13Å; I118-V128 HydrophobicContact CG1-CG1 4.23Å; I118-V128 HydrophobicContact CG2-CG1 4.42Å; A121-V128 HydrophobicContact CB-CG2 3.44Å; A121-V128 VanDerWaalsContact CB-CG2 3.44Å; V122-V128 HydrophobicContact CG2-CG2 4.45Å; I126-V128 WeakPolarHBondContact O-CG2 3.31Å; I126-V128 PolarHBondContact O-N 2.69Å; V128-V130 HydrophobicContact CG1-CG2 4.39Å; V128-D160 PolarHBondContact N-O 3.25Å; V128-V161 HydrophobicContact CB-CB 4.37Å; V128-V161 HydrophobicContact CB-CG1 3.97Å; V128-V161 HydrophobicContact CB-CG2 4.14Å; V128-V161 HydrophobicContact CG1-CG1 3.95Å; V128-V161 CarbonylContact O-C 3.54Å; V128-V161 WeakPolarHBondContact O-CA 3.49Å; V128-Q162 PolarHBondContact O-N 3.36Å
129L95.3Very high94.1Very high54 Ų5445.3 Ų45.328%0.28325%0.246SC..EExtended strand (participates in β ladder)trans-113.2110.5167.4176.661.7000109.9L100 V101 V102 Q162 R164L100-L129 PolarHBondContact O-N 2.94Å; V101-L129 CarbonylContact C-O 3.53Å; V101-L129 VanDerWaalsContact CA-O 3.28Å; V101-L129 WeakPolarHBondContact CA-O 3.28Å; V101-L129 HydrophobicContact CG1-CD2 4.45Å; V101-L129 HydrophobicContact CG1-CG 4.5Å; V101-L129 HydrophobicContact CG2-CB 4.29Å; V101-L129 HydrophobicContact CG2-CD2 4.34Å; V102-L129 PolarHBondContact N-O 2.81Å; L129-Q162 CarbonylContact C-O 3.57Å; L129-Q162 WeakPolarHBondContact CA-O 3.39Å; L129-Q162 HydrophobicContact CD1-CB 4.1Å; L129-R164 HydrophobicContact CD1-CB 3.99Å; L129-R164 HydrophobicContact CD1-CG 3.66Å
130V95.3Very high94.1Very high0 Ų045.6 Ų45.60%026%0.258CS..EExtended strand (participates in β ladder)trans-79.6125.5169.7168.40000110.2M104 I118 V128 L132 V150 V154 V161 Q162 F163 R164M104-V130 HydrophobicContact CE-CB 4.21Å; M104-V130 HydrophobicContact CE-CG1 3.12Å; M104-V130 HydrophobicContact CE-CG2 4.1Å; I118-V130 HydrophobicContact CD1-CG2 3.86Å; I118-V130 HydrophobicContact CG1-CG2 4.47Å; V128-V130 HydrophobicContact CG1-CG2 4.39Å; V130-L132 HydrophobicContact CG1-CD2 4.41Å; V130-V150 HydrophobicContact CG1-CG1 4.01Å; V130-V154 HydrophobicContact CB-CG2 4.48Å; V130-V154 HydrophobicContact CG2-CG2 4.03Å; V130-V161 HydrophobicContact CG2-CG1 4.12Å; V130-Q162 PolarHBondContact N-O 3Å; V130-F163 HydrophobicContact CB-CD2 4.04Å; V130-F163 HydrophobicContact CG1-CD2 3.66Å; V130-F163 HydrophobicContact CG1-CE2 4Å; V130-R164 PolarHBondContact O-N 3.08Å
131L94.7Very high94.2Very high14 Ų1445 Ų457%0.07327%0.273CS..EExtended strand (participates in β ladder)trans-121.5111179.5-161.468.7000111.6V101 V102 L103 M104 R164 H166V101-L131 HydrophobicContact CG1-CB 4.16Å; V101-L131 HydrophobicContact CG1-CD2 4.48Å; V102-L131 PolarHBondContact O-N 2.93Å; L103-L131 WeakPolarHBondContact CA-O 3.33Å; L103-L131 HydrophobicContact CD2-CD2 3.97Å; L103-L131 HydrophobicContact CG-CB 4.25Å; L103-L131 HydrophobicContact CG-CD2 4.19Å; M104-L131 PolarHBondContact N-O 2.98Å; L131-R164 HydrophobicContact CD1-CB 4.12Å; L131-H166 HydrophobicContact CD1-CB 3.63Å; L131-H166 HydrophobicContact CD2-CB 4.11Å; L131-H166 HydrophobicContact CG-CB 3.92Å
132L95.4Very high94.2Very high0 Ų047.1 Ų47.10%029%0.29CS..EExtended strand (participates in β ladder)trans-83.3125.9172.3-57.9-175000110.8M104 I106 P109 V130 V150 F163 R164 H166M104-L132 HydrophobicContact CB-CD2 3.91Å; M104-L132 HydrophobicContact CE-CD2 4.06Å; I106-L132 HydrophobicContact CB-CB 4.31Å; I106-L132 HydrophobicContact CD1-CB 4.42Å; I106-L132 HydrophobicContact CD1-CD1 4.31Å; I106-L132 HydrophobicContact CG1-CB 4.34Å; I106-L132 HydrophobicContact CG1-CD1 4.06Å; P109-L132 HydrophobicContact CB-CD2 3.87Å; V130-L132 HydrophobicContact CG1-CD2 4.41Å; L132-V150 HydrophobicContact CD1-CB 4.23Å; L132-V150 HydrophobicContact CD1-CG2 4.03Å; L132-V150 HydrophobicContact CD2-CG1 4.42Å; L132-V150 HydrophobicContact CD2-CG2 4.3Å; L132-F163 HydrophobicContact CD1-CE2 3.65Å; L132-F163 HydrophobicContact CD1-CZ 3.62Å; L132-F163 HydrophobicContact CD2-CE2 4.46Å; L132-F163 HydrophobicContact CG-CE2 3.7Å; L132-F163 HydrophobicContact CG-CZ 4.1Å; L132-R164 PolarHBondContact N-O 3.16Å; L132-H166 PolarHBondContact O-N 2.98Å
133T93.5Very high94.3Very high1 Ų148.9 Ų48.91%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-109.4171.917967.80000111.6A25 L103 M104 I106 A135A25-T133 VanDerWaalsContact O-CG2 3.28Å; A25-T133 WeakPolarHBondContact O-CG2 3.3Å; A25-T133 PolarHBondContact O-OG1 3.45Å; L103-T133 HydrophobicContact CB-CG2 4.39Å; L103-T133 HydrophobicContact CD2-CG2 3.77Å; L103-T133 HydrophobicContact CG-CG2 4.5Å; M104-T133 PolarHBondContact O-N 3.12Å; M104-T133 PolarHBondContact O-OG1 2.88Å; M104-T133 VanDerWaalsContact O-OG1 3.04Å; I106-T133 VanDerWaalsContact CB-O 3.29Å; I106-T133 WeakPolarHBondContact CB-O 3.39Å; I106-T133 VanDerWaalsContact CG2-O 3.31Å; I106-T133 WeakPolarHBondContact CG2-O 3.29Å; I106-T133 PolarHBondContact N-O 3.38Å; T133-A135 VanDerWaalsContact C-N 3.25Å; T133-A135 PolarHBondContact O-N 3.45Å
134K91.5Very high94.3Very high30 Ų3049.7 Ų49.713%0.1329%0.292CS..  trans58.436.1177.4-59.3174.4-176.5175.70113.5N24 D105 I106 D136 K137N24-K134 WeakPolarHBondContact O-CE 3.37Å; N24-K134 PolarHBondContact O-NZ 2.82Å; D105-K134 HydrophobicContact CB-CD 4.36Å; D105-K134 WeakPolarHBondContact OD2-CD 3.37Å; D105-K134 IonicContact OD2-NZ 3.8Å; D105-K134 PolarHBondContact OD2-NZ 3.39Å; I106-K134 VanDerWaalsContact CG2-O 3.22Å; I106-K134 WeakPolarHBondContact CG2-O 3.35Å; K134-D136 VanDerWaalsContact CA-OD1 3.24Å; K134-D136 WeakPolarHBondContact CA-OD1 3.41Å; K134-D136 PolarHBondContact O-N 3.1Å; K134-D136 VanDerWaalsContact O-N 3.16Å; K134-K137 HydrophobicContact CB-CG 3.91Å; K134-K137 WeakPolarHBondContact O-CB 3.48Å; K134-K137 PolarHBondContact O-N 2.85Å
135A91.9Very high94.4Very high1 Ų150.9 Ų50.91%0.00830%0.304CS..G310 helixtrans-58.9-23.6177.100000113I106 T133 K137 L138 R143I106-A135 HydrophobicContact CD1-CB 4.41Å; T133-A135 VanDerWaalsContact C-N 3.25Å; T133-A135 PolarHBondContact O-N 3.45Å; A135-K137 PolarHBondContact O-N 2.98Å; A135-L138 PolarHBondContact O-N 2.79Å; A135-R143 PolarHBondContact O-NE 3.25Å; A135-R143 PolarHBondContact O-NH2 3.09Å; A135-R143 VanDerWaalsContact O-NH2 3.09Å
136D91.3Very high94.5Very high90 Ų9046.1 Ų46.148%0.48128%0.277SS..G310 helixtrans-62.5-26.7172.669.5-55.9000112.7K134 L138K134-D136 VanDerWaalsContact CA-OD1 3.24Å; K134-D136 WeakPolarHBondContact CA-OD1 3.41Å; K134-D136 PolarHBondContact O-N 3.1Å; K134-D136 VanDerWaalsContact O-N 3.16Å; D136-L138 PolarHBondContact O-N 2.92Å
137K92.8Very high94.4Very high116 Ų11647.2 Ų47.250%0.50428%0.283SS..G310 helixtrans-78-3.9-178.8-55.7-58.6179.3-136.90114.7R107 K134 A135R107-K137 HydrophobicContact CG-CB 4.18Å; K134-K137 HydrophobicContact CB-CG 3.91Å; K134-K137 WeakPolarHBondContact O-CB 3.48Å; K134-K137 PolarHBondContact O-N 2.85Å; A135-K137 PolarHBondContact O-N 2.98Å
138L93.7Very high94.3Very high32 Ų3248.7 Ų48.717%0.16829%0.285CS..SBendtrans-123.8137.3175.8-67.8-179.2000111.1I106 R107 A135 D136 A142 R143 Q146I106-L138 HydrophobicContact CB-CD1 4.39Å; I106-L138 HydrophobicContact CD1-CD1 4.39Å; I106-L138 HydrophobicContact CG1-CD1 3.92Å; I106-L138 HydrophobicContact CG2-CD1 3.79Å; I106-L138 HydrophobicContact CG2-CG 4.09Å; R107-L138 HydrophobicContact CG-CD2 3.97Å; R107-L138 HydrophobicContact CG-CG 4.04Å; A135-L138 PolarHBondContact O-N 2.79Å; D136-L138 PolarHBondContact O-N 2.92Å; L138-A142 HydrophobicContact CB-CB 4.32Å; L138-A142 HydrophobicContact CD2-CB 4.18Å; L138-R143 HydrophobicContact CB-CB 4.06Å; L138-R143 PolarHBondContact O-NE 3.26Å; L138-R143 PolarHBondContact O-NH2 3.44Å; L138-Q146 HydrophobicContact CD1-CB 4.33Å; L138-Q146 HydrophobicContact CD1-CG 3.77Å
139A95.2Very high94.3Very high76 Ų7652.3 Ų52.363%0.62830%0.303SS*.  trans-61157.6166.600000111G141 A142 R143A139-G141 VanDerWaalsContact C-N 3.32Å; A139-G141 PolarHBondContact O-N 3.09Å; A139-A142 PolarHBondContact O-N 2.92Å; A139-R143 VanDerWaalsContact O-CB 3.31Å; A139-R143 WeakPolarHBondContact O-CB 3.45Å; A139-R143 PolarHBondContact O-N 3.44Å
140S94.2Very high94.2Very high92 Ų9249.7 Ų49.764%0.64329%0.289SS*.Hα-helixtrans-51.9-44.6-171-168.30000113.9R143 K144S140-R143 WeakPolarHBondContact O-CB 3.2Å; S140-R143 PolarHBondContact O-N 2.96Å; S140-K144 PolarHBondContact O-N 3.36Å
141G95.9Very high94.1Very high55 Ų5554.2 Ų54.257%0.56731%0.306SS*.Hα-helixtrans-63.2-53.6178.900000113.1A139 R143 K144 A145A139-G141 VanDerWaalsContact C-N 3.32Å; A139-G141 PolarHBondContact O-N 3.09Å; G141-R143 VanDerWaalsContact C-N 3.27Å; G141-R143 PolarHBondContact O-N 3.41Å; G141-K144 PolarHBondContact O-N 3.36Å; G141-A145 PolarHBondContact O-N 3.45Å
142A95.9Very high93.9Very high45 Ų4559.4 Ų59.437%0.37233%0.33SS..Hα-helixtrans-60.5-38177.500000112L138 A139 A145 Q146L138-A142 HydrophobicContact CB-CB 4.32Å; L138-A142 HydrophobicContact CD2-CB 4.18Å; A139-A142 PolarHBondContact O-N 2.92Å; A142-A145 PolarHBondContact O-N 3.16Å; A142-Q146 WeakPolarHBondContact O-CG 3.29Å; A142-Q146 PolarHBondContact O-N 2.98Å
143R95.3Very high93.8Very high58 Ų5861 Ų6122%0.21934%0.343CS..Hα-helixtrans-62-44.9175.6-169.7-168.7-56.7167.4-3.5112.1I106 A135 L138 A139 S140 G141 L147 K165I106-R143 HydrophobicContact CD1-CG 3.7Å; A135-R143 PolarHBondContact O-NE 3.25Å; A135-R143 PolarHBondContact O-NH2 3.09Å; A135-R143 VanDerWaalsContact O-NH2 3.09Å; L138-R143 HydrophobicContact CB-CB 4.06Å; L138-R143 PolarHBondContact O-NE 3.26Å; L138-R143 PolarHBondContact O-NH2 3.44Å; A139-R143 VanDerWaalsContact O-CB 3.31Å; A139-R143 WeakPolarHBondContact O-CB 3.45Å; A139-R143 PolarHBondContact O-N 3.44Å; S140-R143 WeakPolarHBondContact O-CB 3.2Å; S140-R143 PolarHBondContact O-N 2.96Å; G141-R143 VanDerWaalsContact C-N 3.27Å; G141-R143 PolarHBondContact O-N 3.41Å; R143-L147 WeakPolarHBondContact O-CB 3.42Å; R143-L147 PolarHBondContact O-N 3.33Å; R143-K165 VanDerWaalsContact CD-NZ 3.33Å
144K94.3Very high93.7Very high143 Ų14361.2 Ų61.262%0.62235%0.345SS*.Hα-helixtrans-65.8-40.6176.9-174179178.6-177.50111.3S140 G141 L147 N148S140-K144 PolarHBondContact O-N 3.36Å; G141-K144 PolarHBondContact O-N 3.36Å; K144-L147 WeakPolarHBondContact O-CB 3.5Å; K144-L147 PolarHBondContact O-N 3.36Å; K144-N148 WeakPolarHBondContact O-CB 3.31Å; K144-N148 PolarHBondContact O-N 2.78Å
145A95.8Very high93.5Very high59 Ų5965.4 Ų65.449%0.48837%0.368SS..Hα-helixtrans-60.6-49176.200000111.7G141 A142 L147 N148 M149G141-A145 PolarHBondContact O-N 3.45Å; A142-A145 PolarHBondContact O-N 3.16Å; A145-L147 PolarHBondContact O-N 2.9Å; A145-N148 PolarHBondContact O-N 3.22Å; A145-M149 WeakPolarHBondContact O-CB 3.5Å; A145-M149 PolarHBondContact O-N 2.98Å
146Q95.8Very high93.4Very high53 Ų5368.8 Ų68.825%0.24840%0.396CS..Hα-helixtrans-61.5-43.2176-72-64.9-28.100112.1I106 P109 L138 A142 N148 M149 V150I106-Q146 HydrophobicContact CG1-CB 3.92Å; I106-Q146 WeakPolarHBondContact O-CG 3.37Å; P109-Q146 VanDerWaalsContact CD-OE1 3.31Å; P109-Q146 VanDerWaalsContact CG-OE1 3.25Å; L138-Q146 HydrophobicContact CD1-CB 4.33Å; L138-Q146 HydrophobicContact CD1-CG 3.77Å; A142-Q146 WeakPolarHBondContact O-CG 3.29Å; A142-Q146 PolarHBondContact O-N 2.98Å; Q146-N148 VanDerWaalsContact C-N 3.33Å; Q146-N148 PolarHBondContact O-N 3.18Å; Q146-M149 PolarHBondContact O-N 3.37Å; Q146-V150 WeakPolarHBondContact O-CG2 3.5Å; Q146-V150 PolarHBondContact O-N 2.83Å
147L93Very high93.2Very high33 Ų3366 Ų6617%0.17338%0.38CS..Hα-helixtrans-57.9-45.6177-170.785.4000112R143 K144 A145 R151 F163 K165R143-L147 WeakPolarHBondContact O-CB 3.42Å; R143-L147 PolarHBondContact O-N 3.33Å; K144-L147 WeakPolarHBondContact O-CB 3.5Å; K144-L147 PolarHBondContact O-N 3.36Å; A145-L147 PolarHBondContact O-N 2.9Å; L147-R151 WeakPolarHBondContact O-CB 3.33Å; L147-R151 PolarHBondContact O-N 3.34Å; L147-F163 HydrophobicContact CD1-CE1 3.32Å; L147-F163 HydrophobicContact CD1-CZ 3.38Å; L147-F163 HydrophobicContact CG-CE1 3.69Å; L147-F163 HydrophobicContact CG-CZ 3.94Å; L147-K165 HydrophobicContact CD1-CB 3.81Å; L147-K165 HydrophobicContact CD1-CD 4.21Å; L147-K165 HydrophobicContact CD1-CG 4.31Å
148N93.7Very high92.5Very high66 Ų6667.8 Ų67.835%0.35340%0.395SS..Hα-helixtrans-68.6-45.1179.9-73.2-2.8000111.2K144 A145 Q146 V150 R151 E152K144-N148 WeakPolarHBondContact O-CB 3.31Å; K144-N148 PolarHBondContact O-N 2.78Å; A145-N148 PolarHBondContact O-N 3.22Å; Q146-N148 VanDerWaalsContact C-N 3.33Å; Q146-N148 PolarHBondContact O-N 3.18Å; N148-V150 VanDerWaalsContact C-N 3.32Å; N148-V150 PolarHBondContact O-N 2.96Å; N148-R151 PolarHBondContact O-N 3.37Å; N148-R151 VanDerWaalsContact O-N 3.16Å; N148-R151 PolarHBondContact OD1-NH1 3.41Å; N148-E152 WeakPolarHBondContact O-CG 3.39Å; N148-E152 PolarHBondContact O-N 3.32Å
149M95.1Very high91.4Very high80 Ų8068 Ų6839%0.39441%0.405SS..Hα-helixtrans-55.8-47.5177.2-179.9-84.7-71.400111.7P109 L110 A145 Q146 E152 A153P109-M149 HydrophobicContact CG-CE 3.62Å; L110-M149 HydrophobicContact CD1-SD 3.9Å; A145-M149 WeakPolarHBondContact O-CB 3.5Å; A145-M149 PolarHBondContact O-N 2.98Å; Q146-M149 PolarHBondContact O-N 3.37Å; M149-E152 PolarHBondContact O-N 3.04Å; M149-A153 WeakPolarHBondContact O-CB 3.36Å; M149-A153 PolarHBondContact O-N 3Å
150V94.9Very high90.5Very high0 Ų068.9 Ų68.90%040%0.399CS..Hα-helixtrans-67.8-38.2179.1179.40000111.5M104 P109 L110 V130 L132 Q146 N148 E152 A153 V154 F163M104-V150 HydrophobicContact CE-CG1 4.37Å; P109-V150 HydrophobicContact CB-CG2 3.57Å; P109-V150 HydrophobicContact CG-CG2 3.46Å; P109-V150 VanDerWaalsContact CG-CG2 3.46Å; L110-V150 HydrophobicContact CD1-CB 4.44Å; L110-V150 HydrophobicContact CD1-CG1 4.35Å; L110-V150 HydrophobicContact CD1-CG2 4.14Å; L110-V150 HydrophobicContact CG-CG1 4.48Å; L110-V150 HydrophobicContact CG-CG2 4.39Å; V130-V150 HydrophobicContact CG1-CG1 4.01Å; L132-V150 HydrophobicContact CD1-CB 4.23Å; L132-V150 HydrophobicContact CD1-CG2 4.03Å; L132-V150 HydrophobicContact CD2-CG1 4.42Å; L132-V150 HydrophobicContact CD2-CG2 4.3Å; Q146-V150 WeakPolarHBondContact O-CG2 3.5Å; Q146-V150 PolarHBondContact O-N 2.83Å; N148-V150 VanDerWaalsContact C-N 3.32Å; N148-V150 PolarHBondContact O-N 2.96Å; V150-E152 PolarHBondContact O-N 3.47Å; V150-A153 PolarHBondContact O-N 3.18Å; V150-V154 HydrophobicContact CG1-CG2 4Å; V150-V154 VanDerWaalsContact O-CB 3.29Å; V150-V154 WeakPolarHBondContact O-CB 3.45Å; V150-V154 WeakPolarHBondContact O-CG2 3.49Å; V150-V154 PolarHBondContact O-N 2.98Å; V150-F163 HydrophobicContact CB-CE2 3.83Å; V150-F163 HydrophobicContact CB-CZ 4.18Å; V150-F163 HydrophobicContact CG1-CD2 3.81Å; V150-F163 HydrophobicContact CG1-CE2 3.39Å; V150-F163 HydrophobicContact CG1-CZ 4.23Å
151R91.5Very high89.7Confident94 Ų9465.5 Ų65.536%0.35537%0.374SS..Hα-helixtrans-59.2-47.9176.3-174.7-175.2-61.8104.60.9111.4L147 N148 V154 L155 F163L147-R151 WeakPolarHBondContact O-CB 3.33Å; L147-R151 PolarHBondContact O-N 3.34Å; N148-R151 PolarHBondContact O-N 3.37Å; N148-R151 VanDerWaalsContact O-N 3.16Å; N148-R151 PolarHBondContact OD1-NH1 3.41Å; R151-V154 PolarHBondContact O-N 3.37Å; R151-L155 WeakPolarHBondContact O-CG 3.41Å; R151-L155 PolarHBondContact O-N 2.94Å; R151-F163 HydrophobicContact CB-CD1 4.35Å; R151-F163 HydrophobicContact CB-CE1 4.39Å
152E92.4Very high88.9Confident123 Ų12367.3 Ų67.358%0.57537%0.368SS*.Hα-helixtrans-64.2-46.1178.9-64.4-52.6135.500111.5N148 M149 V150 V154 L155N148-E152 WeakPolarHBondContact O-CG 3.39Å; N148-E152 PolarHBondContact O-N 3.32Å; M149-E152 PolarHBondContact O-N 3.04Å; V150-E152 PolarHBondContact O-N 3.47Å; E152-V154 VanDerWaalsContact C-N 3.3Å; E152-V154 PolarHBondContact O-N 3.49Å; E152-L155 WeakPolarHBondContact O-CB 3.43Å; E152-L155 PolarHBondContact O-N 3.47Å
153A92.5Very high88Confident33 Ų3366.3 Ų66.327%0.27336%0.355SS..Hα-helixtrans-63.8-35.4-179.900000112.8L110 M149 V150 L155 A156L110-A153 HydrophobicContact CD1-CB 3.4Å; M149-A153 WeakPolarHBondContact O-CB 3.36Å; M149-A153 PolarHBondContact O-N 3Å; V150-A153 PolarHBondContact O-N 3.18Å; A153-L155 VanDerWaalsContact C-N 3.27Å; A153-L155 PolarHBondContact O-N 3.49Å; A153-A156 WeakPolarHBondContact O-CB 3.47Å; A153-A156 PolarHBondContact O-N 2.91Å; A153-A156 VanDerWaalsContact O-N 3.16Å
154V90.2Very high87.1Confident7 Ų770.4 Ų70.44%0.04237%0.371CS..Hα-helixtrans-63.7-33.3178.8159.70000112.3V130 V150 R151 E152 A156 F157 V161V130-V154 HydrophobicContact CB-CG2 4.48Å; V130-V154 HydrophobicContact CG2-CG2 4.03Å; V150-V154 HydrophobicContact CG1-CG2 4Å; V150-V154 VanDerWaalsContact O-CB 3.29Å; V150-V154 WeakPolarHBondContact O-CB 3.45Å; V150-V154 WeakPolarHBondContact O-CG2 3.49Å; V150-V154 PolarHBondContact O-N 2.98Å; R151-V154 PolarHBondContact O-N 3.37Å; E152-V154 VanDerWaalsContact C-N 3.3Å; E152-V154 PolarHBondContact O-N 3.49Å; V154-A156 PolarHBondContact O-N 2.97Å; V154-F157 PolarHBondContact O-N 3.42Å; V154-V161 HydrophobicContact CB-CG1 4.43Å; V154-V161 HydrophobicContact CG1-CB 3.69Å; V154-V161 HydrophobicContact CG1-CG1 3.34Å; V154-V161 HydrophobicContact CG2-CG1 4.35Å
155L88.2Confident85.9Confident117 Ų11766.8 Ų66.861%0.61336%0.355SS*.Hα-helixtrans-62.5-27.4177.2-63.7170.9000112.3R151 E152 A153 F157 N158R151-L155 WeakPolarHBondContact O-CG 3.41Å; R151-L155 PolarHBondContact O-N 2.94Å; E152-L155 WeakPolarHBondContact O-CB 3.43Å; E152-L155 PolarHBondContact O-N 3.47Å; A153-L155 VanDerWaalsContact C-N 3.27Å; A153-L155 PolarHBondContact O-N 3.49Å; L155-F157 VanDerWaalsContact C-N 3.26Å; L155-F157 PolarHBondContact O-N 3.16Å; L155-N158 PolarHBondContact O-N 3.43Å
156A89.5Confident84.6Confident73 Ų7366.6 Ų66.660%0.60334%0.344SS*.THydrogen-bonded Turntrans-71.6-17.4-178.600000113.8A153 V154 N158A153-A156 WeakPolarHBondContact O-CB 3.47Å; A153-A156 PolarHBondContact O-N 2.91Å; A153-A156 VanDerWaalsContact O-N 3.16Å; V154-A156 PolarHBondContact O-N 2.97Å; A156-N158 PolarHBondContact O-N 3.37Å
157F87.5Confident82.5Confident31 Ų3170.9 Ų70.914%0.13636%0.362CS..THydrogen-bonded Turntrans-73.9-10.7178.4-68.7-69.4000113.5L110 Q115 I118 E119 V122 V154 L155 G159 V161L110-F157 HydrophobicContact CD2-CE2 4.45Å; Q115-F157 HydrophobicContact CB-CZ 4.16Å; Q115-F157 HydrophobicContact CG-CZ 4.19Å; I118-F157 HydrophobicContact CB-CE1 4.36Å; I118-F157 HydrophobicContact CB-CE2 4.35Å; I118-F157 HydrophobicContact CB-CZ 4.27Å; I118-F157 HydrophobicContact CD1-CE2 4.06Å; I118-F157 HydrophobicContact CD1-CZ 4.35Å; I118-F157 HydrophobicContact CG2-CB 4.19Å; I118-F157 HydrophobicContact CG2-CD1 3.89Å; I118-F157 HydrophobicContact CG2-CD2 3.57Å; I118-F157 HydrophobicContact CG2-CE1 4.16Å; I118-F157 HydrophobicContact CG2-CE2 3.85Å; I118-F157 HydrophobicContact CG2-CG 3.61Å; I118-F157 HydrophobicContact CG2-CZ 4.14Å; E119-F157 HydrophobicContact CG-CD1 3.78Å; E119-F157 HydrophobicContact CG-CE1 3.58Å; V122-F157 HydrophobicContact CG2-CB 4.36Å; V154-F157 PolarHBondContact O-N 3.42Å; L155-F157 VanDerWaalsContact C-N 3.26Å; L155-F157 PolarHBondContact O-N 3.16Å; F157-G159 PolarHBondContact O-N 3.38Å; F157-G159 VanDerWaalsContact O-N 3.09Å; F157-V161 HydrophobicContact CB-CG2 4.19Å
158N77.5Confident80.5Confident154 Ų15473.7 Ų73.782%0.82438%0.377SS*.  trans56.621.2175.2-61.2-42000116.6L155 A156L155-N158 PolarHBondContact O-N 3.43Å; A156-N158 PolarHBondContact O-N 3.37Å
159G70.6Confident79.9Confident36 Ų3674.1 Ų74.137%0.37138%0.378SS..SBendtrans-117.7-175.2176.300000114.1F157 V161F157-G159 PolarHBondContact O-N 3.38Å; F157-G159 VanDerWaalsContact O-N 3.09Å; G159-V161 PolarHBondContact O-N 3.46Å
160D77Confident79.1Confident94 Ų9473.7 Ų73.750%0.50338%0.377SS..SBendtrans-73.874.2167.8-174.911.1000109.9V128V128-D160 PolarHBondContact N-O 3.25Å
161V77.4Confident78.2Confident22 Ų2277.8 Ų77.813%0.13340%0.398CS..EExtended strand (participates in β ladder)trans-108.6103.5178.3-167.70000108.9I118 V122 V128 V130 V154 F157 G159I118-V161 HydrophobicContact CG2-CG1 4.36Å; I118-V161 HydrophobicContact CG2-CG2 4.21Å; V122-V161 HydrophobicContact CG2-CG2 3.54Å; V128-V161 HydrophobicContact CB-CB 4.37Å; V128-V161 HydrophobicContact CB-CG1 3.97Å; V128-V161 HydrophobicContact CB-CG2 4.14Å; V128-V161 HydrophobicContact CG1-CG1 3.95Å; V128-V161 CarbonylContact O-C 3.54Å; V128-V161 WeakPolarHBondContact O-CA 3.49Å; V130-V161 HydrophobicContact CG2-CG1 4.12Å; V154-V161 HydrophobicContact CB-CG1 4.43Å; V154-V161 HydrophobicContact CG1-CB 3.69Å; V154-V161 HydrophobicContact CG1-CG1 3.34Å; V154-V161 HydrophobicContact CG2-CG1 4.35Å; F157-V161 HydrophobicContact CB-CG2 4.19Å; G159-V161 PolarHBondContact O-N 3.46Å
162Q79.2Confident77.4Confident92 Ų9276.9 Ų76.943%0.4340%0.4SS..EExtended strand (participates in β ladder)trans-89.9149.4174-62.1-172.927.300111V128 L129 V130V128-Q162 PolarHBondContact O-N 3.36Å; L129-Q162 CarbonylContact C-O 3.57Å; L129-Q162 WeakPolarHBondContact CA-O 3.39Å; L129-Q162 HydrophobicContact CD1-CB 4.1Å; V130-Q162 PolarHBondContact N-O 3Å
163F76.2Confident76.5Confident24 Ų2474 Ų7411%0.10539%0.389CS..EExtended strand (participates in β ladder)trans-122.5129.9-180175.5-105000111V130 L132 L147 V150 R151V130-F163 HydrophobicContact CB-CD2 4.04Å; V130-F163 HydrophobicContact CG1-CD2 3.66Å; V130-F163 HydrophobicContact CG1-CE2 4Å; L132-F163 HydrophobicContact CD1-CE2 3.65Å; L132-F163 HydrophobicContact CD1-CZ 3.62Å; L132-F163 HydrophobicContact CD2-CE2 4.46Å; L132-F163 HydrophobicContact CG-CE2 3.7Å; L132-F163 HydrophobicContact CG-CZ 4.1Å; L147-F163 HydrophobicContact CD1-CE1 3.32Å; L147-F163 HydrophobicContact CD1-CZ 3.38Å; L147-F163 HydrophobicContact CG-CE1 3.69Å; L147-F163 HydrophobicContact CG-CZ 3.94Å; V150-F163 HydrophobicContact CB-CE2 3.83Å; V150-F163 HydrophobicContact CB-CZ 4.18Å; V150-F163 HydrophobicContact CG1-CD2 3.81Å; V150-F163 HydrophobicContact CG1-CE2 3.39Å; V150-F163 HydrophobicContact CG1-CZ 4.23Å; R151-F163 HydrophobicContact CB-CD1 4.35Å; R151-F163 HydrophobicContact CB-CE1 4.39Å
164R76.3Confident75.4Confident145 Ų14576.7 Ų76.755%0.54740%0.397SS..EExtended strand (participates in β ladder)trans-137.2146.3173.8-65.7-70.3-175.6-95.3-0.4110.8L129 V130 L131 L132L129-R164 HydrophobicContact CD1-CB 3.99Å; L129-R164 HydrophobicContact CD1-CG 3.66Å; V130-R164 PolarHBondContact O-N 3.08Å; L131-R164 HydrophobicContact CD1-CB 4.12Å; L132-R164 PolarHBondContact N-O 3.16Å
165K69.1Low74.3Confident66 Ų6681.7 Ų81.729%0.28742%0.423SS..EExtended strand (participates in β ladder)trans-97.7133.8168.6179.2-168.7168.1-159.70108.7R143 L147R143-K165 VanDerWaalsContact CD-NZ 3.33Å; L147-K165 HydrophobicContact CD1-CB 3.81Å; L147-K165 HydrophobicContact CD1-CD 4.21Å; L147-K165 HydrophobicContact CD1-CG 4.31Å
166H68.9Low73.3Confident55 Ų5579 Ų7926%0.25541%0.408SS..  trans-117.8142.5173.4-158.653.7000111L131 L132 L168L131-H166 HydrophobicContact CD1-CB 3.63Å; L131-H166 HydrophobicContact CD2-CB 4.11Å; L131-H166 HydrophobicContact CG-CB 3.92Å; L132-H166 PolarHBondContact O-N 2.98Å; H166-L168 VanDerWaalsContact CD2-CG 3.46Å; H166-L168 WeakPolarHBondContact CD2-CG 3.37Å
167F52.7Low71.9Confident143 Ų14379.5 Ų79.563%0.62739%0.392SS*.  trans-95.6105.6170.5-68.9-90000107
168L50.6Low70.5Confident92 Ų9283.9 Ų83.948%0.48242%0.415SS..  trans-117.60160.7-64.1171.7000107.9A30 T33 H166A30-L168 HydrophobicContact CB-CD1 3.69Å; T33-L168 HydrophobicContact CG2-CD2 4.01Å; T33-L168 VanDerWaalsContact OG1-CD2 3.3Å; T33-L168 WeakPolarHBondContact OG1-CD2 3.31Å; H166-L168 VanDerWaalsContact CD2-CG 3.46Å; H166-L168 WeakPolarHBondContact CD2-CG 3.37Å

Retrieved 168 of 168 residues in 168.7 ms (Link to these results)

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