G4VR92_SCHMA Loading...

Putative anti-silencing protein

AlphaFold DB , UniProt , Accession G4VR92, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 236 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
1M75.7Confident93.4Very high203 Ų20352.4 Ų52.4100%129%0.288SS*.  0153.50-174.1165.1177.500106.8K3M1-K3 PolarHBondContact O-N 3.46Å
2A88.8Confident93.8Very high46 Ų4651.9 Ų51.938%0.3828%0.284SS..  trans-63.1131177.700000110.1V4 W153A2-V4 VanDerWaalsContact C-N 3.25Å; A2-V4 PolarHBondContact O-N 3.46Å; A2-W153 HydrophobicContact CB-CZ2 3.81Å
3K93.6Very high94Very high16 Ų1655.5 Ų55.57%0.0730%0.303CS..SBendtrans-72.3-22.7177.6-64.8-175.4176.6174.20112.2M1 H31 E32 L34 W153M1-K3 PolarHBondContact O-N 3.46Å; K3-H31 PolarHBondContact O-N 2.97Å; K3-E32 HydrophobicContact CB-CB 4.36Å; K3-E32 HydrophobicContact CD-CB 3.96Å; K3-E32 VanDerWaalsContact CE-OE2 3.28Å; K3-E32 WeakPolarHBondContact CE-OE2 3.48Å; K3-E32 HydrophobicContact CG-CB 4.05Å; K3-L34 HydrophobicContact CB-CD2 3.97Å; K3-L34 HydrophobicContact CD-CD2 3.88Å; K3-W153 HydrophobicContact CB-CD2 3.91Å; K3-W153 HydrophobicContact CB-CE3 3.65Å; K3-W153 HydrophobicContact CB-CH2 4.31Å; K3-W153 HydrophobicContact CB-CZ3 3.86Å; K3-W153 HydrophobicContact CD-CB 3.79Å; K3-W153 HydrophobicContact CD-CD2 4.06Å; K3-W153 HydrophobicContact CD-CE3 3.89Å; K3-W153 HydrophobicContact CD-CG 4.05Å; K3-W153 HydrophobicContact CG-CB 4.15Å; K3-W153 HydrophobicContact CG-CD2 3.77Å; K3-W153 HydrophobicContact CG-CE3 3.86Å; K3-W153 HydrophobicContact CG-CG 3.91Å; K3-W153 PolarHBondContact NZ-O 2.95Å
4V95.2Very high94.1Very high2 Ų255.1 Ų55.11%0.01230%0.301CS..EExtended strand (participates in β ladder)trans-124.4138.4-179.2-177.90000110.4A2 F28 E29 L34 L38 F106 W153A2-V4 VanDerWaalsContact C-N 3.25Å; A2-V4 PolarHBondContact O-N 3.46Å; V4-F28 HydrophobicContact CG1-CB 4.44Å; V4-F28 HydrophobicContact CG1-CD2 3.78Å; V4-F28 HydrophobicContact CG1-CG 4.46Å; V4-E29 WeakPolarHBondContact CA-O 3.46Å; V4-L34 HydrophobicContact CG2-CD1 3.8Å; V4-L34 HydrophobicContact CG2-CD2 4.35Å; V4-L34 HydrophobicContact CG2-CG 4.47Å; V4-L38 HydrophobicContact CG1-CD1 3.99Å; V4-L38 HydrophobicContact CG2-CD1 4.1Å; V4-L38 HydrophobicContact CG2-CD2 4.43Å; V4-F106 HydrophobicContact CB-CE2 3.85Å; V4-F106 HydrophobicContact CB-CZ 3.95Å; V4-F106 HydrophobicContact CG1-CE2 4.05Å; V4-F106 HydrophobicContact CG1-CZ 3.96Å; V4-W153 HydrophobicContact CB-CH2 4.03Å; V4-W153 HydrophobicContact CB-CZ3 4.45Å; V4-W153 HydrophobicContact CG2-CH2 4.11Å; V4-W153 HydrophobicContact CG2-CZ3 4.03Å
5N94.3Very high94.3Very high52 Ų5256.1 Ų56.128%0.27831%0.31SS..EExtended strand (participates in β ladder)trans-135.2140.1172.7-175.444.3000111.2F28 E29 R148N5-F28 CarbonylContact O-C 3.54Å; N5-F28 VanDerWaalsContact O-CA 3.3Å; N5-F28 WeakPolarHBondContact O-CA 3.46Å; N5-F28 WeakPolarHBondContact O-CB 3.37Å; N5-E29 PolarHBondContact N-O 3.31Å; N5-E29 PolarHBondContact O-N 2.88Å; N5-R148 PolarHBondContact OD1-NH2 2.99Å
6I95.7Very high94.5Very high18 Ų1853.3 Ų53.39%0.09230%0.297CS..EExtended strand (participates in β ladder)trans-78.5123.2173.2-64.4175.5000108.7V9 W40 I107 V109I6-V9 HydrophobicContact CG2-CG2 3.6Å; I6-W40 HydrophobicContact CD1-CH2 3.84Å; I6-W40 HydrophobicContact CD1-CZ3 3.7Å; I6-W40 HydrophobicContact CG1-CH2 3.83Å; I6-W40 HydrophobicContact CG1-CZ3 4.21Å; I6-I107 HydrophobicContact CB-CD1 4.08Å; I6-I107 HydrophobicContact CD1-CD1 3.91Å; I6-I107 HydrophobicContact CD1-CG1 4.13Å; I6-I107 HydrophobicContact CD1-CG2 3.68Å; I6-I107 HydrophobicContact CG1-CD1 4Å; I6-I107 HydrophobicContact CG1-CG2 4.19Å; I6-V109 HydrophobicContact CD1-CG2 3.79Å
7C95.5Very high94.6Very high53 Ų5351.8 Ų51.836%0.35829%0.291SS..EExtended strand (participates in β ladder)trans-86.6-42.2177.3-53.40000111.8T27C7-T27 HydrophobicContact CB-CG2 4.21Å; C7-T27 PolarHBondContact N-O 3.4Å
8N95.9Very high94.7Very high79 Ų7948.9 Ų48.942%0.42228%0.275SS..EExtended strand (participates in β ladder)trans-155.8147.8-178.1-169.933.7000110.7T27N8-T27 PolarHBondContact N-O 3.19Å; N8-T27 VanDerWaalsContact N-O 3.1Å; N8-T27 PolarHBondContact O-N 3.47Å
9V97.5Very high94.9Very high15 Ų1551.1 Ų51.19%0.09128%0.281CS..EExtended strand (participates in β ladder)trans-131.7116.4166.9-1790000106.8I6 F24 I26 I97 Y111I6-V9 HydrophobicContact CG2-CG2 3.6Å; V9-F24 HydrophobicContact CG1-CB 4.31Å; V9-F24 HydrophobicContact CG1-CD1 3.98Å; V9-F24 HydrophobicContact CG1-CG 4.49Å; V9-I26 HydrophobicContact CG1-CG1 4.32Å; V9-I26 HydrophobicContact CG2-CG1 4.43Å; V9-I97 HydrophobicContact CG1-CD1 3.68Å; V9-Y111 WeakPolarHBondContact CB-OH 3.44Å; V9-Y111 HydrophobicContact CG1-CE2 4.02Å; V9-Y111 PolarHBondContact O-OH 3.46Å; V9-Y111 VanDerWaalsContact O-OH 3.13Å
10E97.8Very high95Very high69 Ų6951.9 Ų51.932%0.32229%0.285SS..EExtended strand (participates in β ladder)trans-105.3127.4178.4179.4-178177.500109.6L12 F24 R25E10-L12 HydrophobicContact CG-CD2 3.96Å; E10-F24 CarbonylContact O-C 3.59Å; E10-F24 WeakPolarHBondContact O-CA 3.43Å; E10-R25 HydrophobicContact CB-CB 4.24Å; E10-R25 PolarHBondContact N-O 2.68Å; E10-R25 PolarHBondContact O-N 2.85Å; E10-R25 IonicContact OE1-CZ 3.55Å; E10-R25 IonicContact OE1-NH2 3.54Å; E10-R25 PolarHBondContact OE1-NH2 3.37Å; E10-R25 IonicContact OE2-CZ 2.99Å; E10-R25 IonicContact OE2-NE 2.89Å; E10-R25 PolarHBondContact OE2-NE 3.31Å; E10-R25 IonicContact OE2-NH2 3.52Å; E10-R25 PolarHBondContact OE2-NH2 2.83Å
11V97.9Very high95.2Very high23 Ų2351.1 Ų51.114%0.13928%0.282CS..EExtended strand (participates in β ladder)trans-83.5121.1175.6-171.50000108.4N14 F24 Y111 I139 A141V11-N14 HydrophobicContact CG1-CB 3.93Å; V11-F24 HydrophobicContact CB-CE1 4.46Å; V11-F24 HydrophobicContact CG1-CE1 4.21Å; V11-F24 HydrophobicContact CG2-CD1 4.08Å; V11-F24 HydrophobicContact CG2-CE1 3.87Å; V11-Y111 HydrophobicContact CG2-CD1 4.47Å; V11-Y111 HydrophobicContact CG2-CE1 4.1Å; V11-Y111 HydrophobicContact CG2-CE2 4.42Å; V11-I139 HydrophobicContact CG1-CB 4.04Å; V11-I139 HydrophobicContact CG1-CD1 3.74Å; V11-I139 HydrophobicContact CG1-CG1 4.4Å; V11-I139 HydrophobicContact CG1-CG2 4.12Å; V11-I139 HydrophobicContact CG2-CG2 4.12Å; V11-A141 HydrophobicContact CB-CB 3.99Å; V11-A141 HydrophobicContact CG2-CB 3.62Å
12L97.5Very high96.3Very high47 Ų4741.5 Ų41.525%0.24624%0.235CC..EExtended strand (participates in β ladder)trans-99.2159.5177.2-50.9179.3000109.7E10 N14 K23 R25E10-L12 HydrophobicContact CG-CD2 3.96Å; L12-N14 PolarHBondContact O-N 3.26Å; L12-K23 HydrophobicContact CB-CB 3.83Å; L12-K23 HydrophobicContact CD1-CB 4.45Å; L12-K23 PolarHBondContact N-O 3.12Å; L12-R25 HydrophobicContact CD1-CB 4.18Å; L12-R25 HydrophobicContact CD2-CB 4.44Å; L12-R25 HydrophobicContact CG-CB 4.39Å
13D96.2Very high96.7Very high98 Ų9842 Ų4252%0.52423%0.229SC..SBendtrans47.661.8177.6-63-7.7000113A16 K23D13-A16 VanDerWaalsContact O-CB 3.29Å; D13-A16 WeakPolarHBondContact O-CB 3.45Å; D13-K23 HydrophobicContact CB-CD 4.48Å; D13-K23 VanDerWaalsContact OD2-CD 3.28Å; D13-K23 WeakPolarHBondContact OD2-CD 3.2Å; D13-K23 WeakPolarHBondContact OD2-CE 3.21Å; D13-K23 IonicContact OD2-NZ 2.71Å; D13-K23 PolarHBondContact OD2-NZ 3.31Å
14N96.4Very high96.9Very high51 Ų5141.3 Ų41.327%0.27323%0.226SC..  trans-134.8125.9-177.2-17853000110.8V11 L12 I139V11-N14 HydrophobicContact CG1-CB 3.93Å; L12-N14 PolarHBondContact O-N 3.26Å; N14-I139 PolarHBondContact ND2-O 2.72Å; N14-I139 PolarHBondContact OD1-N 2.86Å
15P96.2Very high97.1Very high69 Ų6945.4 Ų45.445%0.44824%0.241SC..SBendcis-70.8163.7-0.332.5-36.8000113.2E136 R137 H138P15-E136 HydrophobicContact CB-CG 3.8Å; P15-R137 WeakPolarHBondContact CA-O 3.15Å; P15-H138 HydrophobicContact CB-CB 4.44Å
16A97.4Very high97.2Very high12 Ų1243 Ų4310%0.09923%0.228CC..EExtended strand (participates in β ladder)trans-144.5170.6178.600000112D13 D20 R137D13-A16 VanDerWaalsContact O-CB 3.29Å; D13-A16 WeakPolarHBondContact O-CB 3.45Å; A16-D20 HydrophobicContact CB-CB 3.9Å; A16-R137 PolarHBondContact N-O 3.47Å; A16-R137 PolarHBondContact O-N 2.84Å
17S97.2Very high97.3Very high27 Ų2742.3 Ų42.319%0.18923%0.225CC..EExtended strand (participates in β ladder)trans-66.8158.9172.7107.70000111.3F19 D20S17-F19 PolarHBondContact O-N 3.3Å; S17-F19 PolarHBondContact OG-N 2.76Å; S17-D20 WeakPolarHBondContact CB-OD2 3.37Å; S17-D20 PolarHBondContact N-OD2 3.03Å; S17-D20 PolarHBondContact O-N 2.94Å; S17-D20 PolarHBondContact OG-N 2.89Å; S17-D20 PolarHBondContact OG-OD1 3.44Å
18F96.7Very high97.4Very high1 Ų139.8 Ų39.80%0.00421%0.208CC..THydrogen-bonded Turntrans-55-37.1175.5-176.6-91.4000112.8A78 P79 P81 I84 L132 L135 R137F18-A78 WeakPolarHBondContact O-CB 3.42Å; F18-P79 HydrophobicContact CZ-CG 4.02Å; F18-P81 HydrophobicContact CE1-CB 4.15Å; F18-I84 HydrophobicContact CZ-CD1 3.89Å; F18-L132 HydrophobicContact CD1-CD2 4.3Å; F18-L132 HydrophobicContact CE1-CD2 4.2Å; F18-L132 HydrophobicContact CZ-CD2 4.44Å; F18-L135 HydrophobicContact CB-CB 4.05Å; F18-L135 HydrophobicContact CD2-CD1 4.22Å; F18-R137 PolarHBondContact O-NH1 3.45Å; F18-R137 VanDerWaalsContact O-NH1 3.11Å
19F97.4Very high97.4Very high89 Ų8939.7 Ų39.739%0.3921%0.205SC..THydrogen-bonded Turntrans-87.6-8.9-176.8-63.9-69.1000114.2S17 P81 L132 N133S17-F19 PolarHBondContact O-N 3.3Å; S17-F19 PolarHBondContact OG-N 2.76Å; F19-P81 HydrophobicContact CE1-CG 4.44Å; F19-L132 HydrophobicContact CE1-CD1 4.32Å; F19-L132 HydrophobicContact CE2-CB 3.64Å; F19-L132 HydrophobicContact CZ-CB 3.51Å; F19-L132 HydrophobicContact CZ-CD1 3.7Å; F19-L132 HydrophobicContact CZ-CG 4.23Å; F19-N133 VanDerWaalsContact CE2-OD1 3.31Å; F19-N133 WeakPolarHBondContact CE2-OD1 3.45Å
20D97.9Very high97.4Very high68 Ų6839 Ų3936%0.36420%0.201SC..SBendtrans-70.7143.9-179.7-64.1-8.7000109.4A16 S17 R137A16-D20 HydrophobicContact CB-CB 3.9Å; S17-D20 WeakPolarHBondContact CB-OD2 3.37Å; S17-D20 PolarHBondContact N-OD2 3.03Å; S17-D20 PolarHBondContact O-N 2.94Å; S17-D20 PolarHBondContact OG-N 2.89Å; S17-D20 PolarHBondContact OG-OD1 3.44Å; D20-R137 VanDerWaalsContact O-CZ 3.31Å; D20-R137 PolarHBondContact O-NH1 3Å; D20-R137 PolarHBondContact O-NH2 2.9Å
21P98.1Very high97.2Very high35 Ų3539.5 Ų39.523%0.22720%0.203CC..PPolyproline II helixtrans-56.7147.3177.3-25.634.7000112.5E75 A76 R137P21-E75 HydrophobicContact CB-CG 3.82Å; P21-E75 WeakPolarHBondContact CB-OE1 3.44Å; P21-A76 CarbonylContact C-O 3.6Å; P21-A76 WeakPolarHBondContact CA-O 3.31Å; P21-A76 WeakPolarHBondContact CB-O 3.48Å; P21-R137 PolarHBondContact O-NH2 2.79Å
22F98.3Very high96.9Very high1 Ų143 Ų430%0.00422%0.217CC..EExtended strand (participates in β ladder)trans-74.5134.3163.9-72.9-95.9000108.8F24 L42 Y44 L57 E75 A76 V95 R137 I139F22-F24 HydrophobicContact CB-CD2 4.48Å; F22-F24 HydrophobicContact CB-CE2 3.8Å; F22-F24 HydrophobicContact CD1-CE2 4.14Å; F22-F24 HydrophobicContact CD1-CZ 4.09Å; F22-F24 HydrophobicContact CG-CE2 4.4Å; F22-L42 HydrophobicContact CB-CD2 3.64Å; F22-L42 HydrophobicContact CD2-CD2 4.39Å; F22-L42 HydrophobicContact CG-CD2 4.01Å; F22-Y44 HydrophobicContact CE2-CD2 4.29Å; F22-Y44 AromaticContact CZ-CD2 3.83Å; F22-Y44 HydrophobicContact CZ-CD2 3.83Å; F22-Y44 HydrophobicContact CZ-CE2 4.01Å; F22-L57 HydrophobicContact CD2-CD1 3.68Å; F22-L57 HydrophobicContact CE2-CD1 3.75Å; F22-L57 HydrophobicContact CG-CD1 4.48Å; F22-E75 CarbonylContact O-C 3.58Å; F22-E75 VanDerWaalsContact O-CA 3.24Å; F22-E75 WeakPolarHBondContact O-CA 3.42Å; F22-A76 PolarHBondContact N-O 3.39Å; F22-A76 PolarHBondContact O-N 3Å; F22-V95 HydrophobicContact CD1-CG2 4.3Å; F22-V95 HydrophobicContact CE1-CB 4.23Å; F22-V95 HydrophobicContact CE1-CG1 4.25Å; F22-V95 HydrophobicContact CE1-CG2 4.14Å; F22-R137 VanDerWaalsContact CE2-NH1 3.32Å; F22-I139 HydrophobicContact CD1-CD1 3.66Å; F22-I139 HydrophobicContact CE1-CD1 3.76Å; F22-I139 HydrophobicContact CE1-CG1 4.45Å
23K98.1Very high96.5Very high58 Ų5845 Ų4525%0.25223%0.233SC..EExtended strand (participates in β ladder)trans-131.4119.7178.9-66179.5-169.5169.40110.2L12 D13 E75L12-K23 HydrophobicContact CB-CB 3.83Å; L12-K23 HydrophobicContact CD1-CB 4.45Å; L12-K23 PolarHBondContact N-O 3.12Å; D13-K23 HydrophobicContact CB-CD 4.48Å; D13-K23 VanDerWaalsContact OD2-CD 3.28Å; D13-K23 WeakPolarHBondContact OD2-CD 3.2Å; D13-K23 WeakPolarHBondContact OD2-CE 3.21Å; D13-K23 IonicContact OD2-NZ 2.71Å; D13-K23 PolarHBondContact OD2-NZ 3.31Å; K23-E75 VanDerWaalsContact CE-OE1 3.28Å; K23-E75 WeakPolarHBondContact CE-OE1 3.36Å; K23-E75 HydrophobicContact CG-CB 4.27Å; K23-E75 HydrophobicContact CG-CG 3.88Å
24F98.3Very high96.3Very high0 Ų041.1 Ų41.10%021%0.213CC..EExtended strand (participates in β ladder)trans-122.1146.2176.5-59.2-82.2000110.4V9 E10 V11 F22 I26 L42 S73 F74 V95 I97 Y111 I139V9-F24 HydrophobicContact CG1-CB 4.31Å; V9-F24 HydrophobicContact CG1-CD1 3.98Å; V9-F24 HydrophobicContact CG1-CG 4.49Å; E10-F24 CarbonylContact O-C 3.59Å; E10-F24 WeakPolarHBondContact O-CA 3.43Å; V11-F24 HydrophobicContact CB-CE1 4.46Å; V11-F24 HydrophobicContact CG1-CE1 4.21Å; V11-F24 HydrophobicContact CG2-CD1 4.08Å; V11-F24 HydrophobicContact CG2-CE1 3.87Å; F22-F24 HydrophobicContact CB-CD2 4.48Å; F22-F24 HydrophobicContact CB-CE2 3.8Å; F22-F24 HydrophobicContact CD1-CE2 4.14Å; F22-F24 HydrophobicContact CD1-CZ 4.09Å; F22-F24 HydrophobicContact CG-CE2 4.4Å; F24-I26 HydrophobicContact CB-CG1 4.28Å; F24-L42 HydrophobicContact CD2-CD1 4.05Å; F24-L42 HydrophobicContact CE2-CD1 3.45Å; F24-L42 VanDerWaalsContact CE2-CD1 3.45Å; F24-L42 HydrophobicContact CE2-CD2 3.94Å; F24-L42 HydrophobicContact CE2-CG 4.38Å; F24-L42 HydrophobicContact CZ-CD1 4.21Å; F24-S73 CarbonylContact O-C 3.59Å; F24-S73 WeakPolarHBondContact O-CA 3.49Å; F24-F74 HydrophobicContact CB-CB 4.47Å; F24-F74 PolarHBondContact N-O 2.9Å; F24-F74 PolarHBondContact O-N 2.91Å; F24-V95 HydrophobicContact CZ-CG1 4.14Å; F24-I97 HydrophobicContact CB-CD1 4.29Å; F24-I97 HydrophobicContact CD1-CD1 3.78Å; F24-I97 HydrophobicContact CD2-CD1 4.01Å; F24-I97 HydrophobicContact CD2-CG1 4.49Å; F24-I97 HydrophobicContact CE1-CD1 4.03Å; F24-I97 HydrophobicContact CE2-CD1 4.26Å; F24-I97 HydrophobicContact CG-CD1 3.76Å; F24-I97 HydrophobicContact CZ-CD1 4.27Å; F24-Y111 HydrophobicContact CE1-CD2 4.24Å; F24-Y111 HydrophobicContact CE1-CE2 4.32Å; F24-I139 HydrophobicContact CZ-CD1 4.27Å
25R98.1Very high96.1Very high89 Ų8944.6 Ų44.634%0.33623%0.231SC..EExtended strand (participates in β ladder)trans-112107.3168.3-171.3162.676.9-178.8-1.7108.2E10 L12 Q71E10-R25 HydrophobicContact CB-CB 4.24Å; E10-R25 PolarHBondContact N-O 2.68Å; E10-R25 PolarHBondContact O-N 2.85Å; E10-R25 IonicContact OE1-CZ 3.55Å; E10-R25 IonicContact OE1-NH2 3.54Å; E10-R25 PolarHBondContact OE1-NH2 3.37Å; E10-R25 IonicContact OE2-CZ 2.99Å; E10-R25 IonicContact OE2-NE 2.89Å; E10-R25 PolarHBondContact OE2-NE 3.31Å; E10-R25 IonicContact OE2-NH2 3.52Å; E10-R25 PolarHBondContact OE2-NH2 2.83Å; L12-R25 HydrophobicContact CD1-CB 4.18Å; L12-R25 HydrophobicContact CD2-CB 4.44Å; L12-R25 HydrophobicContact CG-CB 4.39Å; R25-Q71 HydrophobicContact CG-CG 4.06Å
26I97.9Very high95.9Very high0 Ų044.8 Ų44.80%023%0.228CC..EExtended strand (participates in β ladder)trans-99.5127.7-173.2-61177.2000108.2V9 F24 F28 W40 Q71 F72 F74 I97V9-I26 HydrophobicContact CG1-CG1 4.32Å; V9-I26 HydrophobicContact CG2-CG1 4.43Å; F24-I26 HydrophobicContact CB-CG1 4.28Å; I26-F28 HydrophobicContact CG2-CD1 4.48Å; I26-W40 HydrophobicContact CD1-CE3 3.89Å; I26-W40 HydrophobicContact CD1-CZ3 4Å; I26-W40 HydrophobicContact CG2-CH2 3.7Å; I26-W40 HydrophobicContact CG2-CZ2 4.41Å; I26-W40 HydrophobicContact CG2-CZ3 3.75Å; I26-Q71 VanDerWaalsContact O-CA 3.24Å; I26-Q71 WeakPolarHBondContact O-CA 3.39Å; I26-F72 HydrophobicContact CB-CD1 4.41Å; I26-F72 HydrophobicContact CB-CE1 3.91Å; I26-F72 HydrophobicContact CB-CZ 3.99Å; I26-F72 HydrophobicContact CD1-CE2 4.18Å; I26-F72 HydrophobicContact CD1-CZ 3.79Å; I26-F72 HydrophobicContact CG1-CZ 4.39Å; I26-F72 HydrophobicContact CG2-CE1 3.98Å; I26-F72 HydrophobicContact CG2-CZ 4.26Å; I26-F72 PolarHBondContact N-O 3.44Å; I26-F72 PolarHBondContact O-N 3.45Å; I26-F72 VanDerWaalsContact O-N 3.08Å; I26-F74 HydrophobicContact CD1-CB 4.05Å; I26-F74 HydrophobicContact CD1-CD1 3.85Å; I26-F74 HydrophobicContact CD1-CG 4.45Å; I26-I97 HydrophobicContact CD1-CD1 4.48Å; I26-I97 HydrophobicContact CD1-CG2 3.86Å
27T97.6Very high95.8Very high5 Ų547.4 Ų47.43%0.03124%0.241CC..EExtended strand (participates in β ladder)trans-116.8123.9171.4-51.10000109.2C7 N8 R69 H70C7-T27 HydrophobicContact CB-CG2 4.21Å; C7-T27 PolarHBondContact N-O 3.4Å; N8-T27 PolarHBondContact N-O 3.19Å; N8-T27 VanDerWaalsContact N-O 3.1Å; N8-T27 PolarHBondContact O-N 3.47Å; T27-R69 HydrophobicContact CG2-CG 3.99Å; T27-H70 WeakPolarHBondContact CA-O 3.28Å
28F97.1Very high95.8Very high0 Ų046.1 Ų46.10%023%0.232CC..EExtended strand (participates in β ladder)trans-134160.6179.470.1-88.5000111.1V4 N5 I26 L38 W40 V62 I65 R69 H70 F72V4-F28 HydrophobicContact CG1-CB 4.44Å; V4-F28 HydrophobicContact CG1-CD2 3.78Å; V4-F28 HydrophobicContact CG1-CG 4.46Å; N5-F28 CarbonylContact O-C 3.54Å; N5-F28 VanDerWaalsContact O-CA 3.3Å; N5-F28 WeakPolarHBondContact O-CA 3.46Å; N5-F28 WeakPolarHBondContact O-CB 3.37Å; I26-F28 HydrophobicContact CG2-CD1 4.48Å; F28-L38 HydrophobicContact CE2-CD1 4.3Å; F28-W40 HydrophobicContact CB-CH2 4.46Å; F28-W40 HydrophobicContact CD1-CH2 4.4Å; F28-W40 AromaticContact CD1-CZ2 3.9Å; F28-W40 HydrophobicContact CD1-CZ2 3.9Å; F28-W40 HydrophobicContact CE1-CZ2 4.26Å; F28-W40 HydrophobicContact CG-CZ2 4.16Å; F28-V62 HydrophobicContact CZ-CG1 4.35Å; F28-I65 HydrophobicContact CE2-CD1 3.95Å; F28-I65 HydrophobicContact CE2-CG2 3.82Å; F28-I65 HydrophobicContact CZ-CD1 3.98Å; F28-I65 HydrophobicContact CZ-CG2 4.3Å; F28-R69 WeakPolarHBondContact O-CA 3.5Å; F28-H70 HydrophobicContact CD1-CB 4.08Å; F28-H70 HydrophobicContact CD2-CB 4.25Å; F28-H70 HydrophobicContact CE1-CB 3.58Å; F28-H70 HydrophobicContact CE2-CB 3.77Å; F28-H70 AromaticContact CE2-CD2 3.74Å; F28-H70 HydrophobicContact CG-CB 4.4Å; F28-H70 HydrophobicContact CZ-CB 3.41Å; F28-H70 VanDerWaalsContact CZ-CB 3.41Å; F28-H70 AromaticContact CZ-CG 3.94Å; F28-H70 PolarHBondContact N-O 2.89Å; F28-H70 PolarHBondContact O-N 3.13Å; F28-F72 HydrophobicContact CD1-CD1 4.31Å; F28-F72 HydrophobicContact CD1-CE1 4.03Å; F28-F72 AromaticContact CE1-CD1 3.84Å; F28-F72 HydrophobicContact CE1-CD1 3.84Å; F28-F72 AromaticContact CE1-CE1 3.76Å; F28-F72 HydrophobicContact CE1-CE1 3.76Å
29E96.7Very high95.8Very high77 Ų7747.9 Ų47.936%0.3624%0.24SC..EExtended strand (participates in β ladder)trans-121.3131.4177.3-172.9178-17900109.3V4 N5 H31 G68V4-E29 WeakPolarHBondContact CA-O 3.46Å; N5-E29 PolarHBondContact N-O 3.31Å; N5-E29 PolarHBondContact O-N 2.88Å; E29-H31 IonicContact OE1-CE1 3.26Å; E29-H31 IonicContact OE1-ND1 3.06Å; E29-H31 IonicContact OE2-CE1 2.74Å; E29-G68 WeakPolarHBondContact CA-O 3.28Å
30C96Very high95.9Very high1 Ų143.6 Ų43.61%0.00722%0.221CC..EExtended strand (participates in β ladder)trans-105.6115.7174.8-172.50000108.3E32 I65 V67 G68C30-E32 PolarHBondContact SG-O 2.98Å; C30-I65 HydrophobicContact CB-CG2 3.65Å; C30-V67 WeakPolarHBondContact O-CA 3.21Å; C30-V67 WeakPolarHBondContact O-CG1 3.09Å; C30-G68 PolarHBondContact N-O 2.8Å; C30-G68 PolarHBondContact O-N 3.16Å
31H94.1Very high95.9Very high78 Ų7842.6 Ų42.636%0.36121%0.214SC..SBendtrans-88.6-25.1-175.2-59.7-60.1000113.1K3 E29K3-H31 PolarHBondContact O-N 2.97Å; E29-H31 IonicContact OE1-CE1 3.26Å; E29-H31 IonicContact OE1-ND1 3.06Å; E29-H31 IonicContact OE2-CE1 2.74Å
32E92.4Very high95.9Very high96 Ų9641 Ų4145%0.44920%0.203SC..SBendtrans-139.7146.9-178.3-70.3179.9-149.400109.5K3 C30 L34K3-E32 HydrophobicContact CB-CB 4.36Å; K3-E32 HydrophobicContact CD-CB 3.96Å; K3-E32 VanDerWaalsContact CE-OE2 3.28Å; K3-E32 WeakPolarHBondContact CE-OE2 3.48Å; K3-E32 HydrophobicContact CG-CB 4.05Å; C30-E32 PolarHBondContact SG-O 2.98Å; E32-L34 PolarHBondContact O-N 3.2Å
33P89.5Confident95.9Very high90 Ų9041.4 Ų41.458%0.58421%0.206SC*.  trans-59.2140.3179.226.8-34.4000111
34L91.7Very high96Very high17 Ų1738.7 Ų38.79%0.08919%0.194CC..  trans-100.2139.9173.9-57.2-178.5000110K3 V4 E32 L38 I65 Y101 W153K3-L34 HydrophobicContact CB-CD2 3.97Å; K3-L34 HydrophobicContact CD-CD2 3.88Å; V4-L34 HydrophobicContact CG2-CD1 3.8Å; V4-L34 HydrophobicContact CG2-CD2 4.35Å; V4-L34 HydrophobicContact CG2-CG 4.47Å; E32-L34 PolarHBondContact O-N 3.2Å; L34-L38 HydrophobicContact CD1-CD1 4.3Å; L34-L38 HydrophobicContact CD1-CD2 3.73Å; L34-L38 HydrophobicContact CD1-CG 3.84Å; L34-I65 HydrophobicContact CD1-CB 4.28Å; L34-I65 HydrophobicContact CD1-CD1 4.11Å; L34-Y101 HydrophobicContact CB-CE2 4.09Å; L34-Y101 HydrophobicContact CD1-CD2 4.38Å; L34-Y101 HydrophobicContact CD1-CE2 4.36Å; L34-Y101 HydrophobicContact CD2-CE2 4.38Å; L34-W153 HydrophobicContact CD2-CE3 3.95Å; L34-W153 HydrophobicContact CD2-CZ3 3.96Å
35D90.5Very high95.9Very high124 Ų12439.7 Ų39.766%0.66320%0.2SC*.SBendtrans-79.9-23.4177-61.6-40.4000112.6Y101 R102D35-Y101 PolarHBondContact N-OH 3.11Å; D35-R102 IonicContact OD2-NH2 3.6Å
36D93.2Very high95.9Very high72 Ų7235.5 Ų35.539%0.38518%0.184SC..SBendtrans-130.5168.2-175.4-59.1-69.6000110.2Y101 R102D36-Y101 HydrophobicContact CB-CE2 3.73Å; D36-Y101 WeakPolarHBondContact O-CE2 3.3Å; D36-R102 IonicContact OD2-CZ 2.93Å; D36-R102 VanDerWaalsContact OD2-CZ 3.26Å; D36-R102 IonicContact OD2-NE 3.41Å; D36-R102 PolarHBondContact OD2-NE 3.33Å; D36-R102 IonicContact OD2-NH2 2.72Å; D36-R102 PolarHBondContact OD2-NH2 3.17Å
37D95.5Very high95.8Very high68 Ų6835.9 Ų35.936%0.36419%0.187SC..PPolyproline II helixtrans-74.2153.6179.5-61.9-13.4000111.5L61 G63D37-L61 HydrophobicContact CB-CB 4.38Å; D37-G63 WeakPolarHBondContact OD1-CA 3.26Å
38L96.7Very high95.6Very high0 Ų039.5 Ų39.50%022%0.217CC..EExtended strand (participates in β ladder)trans-84.3136165-65.8179.1000109.5V4 F28 L34 W40 L61 V62 I65 L100 Y101 F106V4-L38 HydrophobicContact CG1-CD1 3.99Å; V4-L38 HydrophobicContact CG2-CD1 4.1Å; V4-L38 HydrophobicContact CG2-CD2 4.43Å; F28-L38 HydrophobicContact CE2-CD1 4.3Å; L34-L38 HydrophobicContact CD1-CD1 4.3Å; L34-L38 HydrophobicContact CD1-CD2 3.73Å; L34-L38 HydrophobicContact CD1-CG 3.84Å; L38-W40 HydrophobicContact CD1-CZ2 4.28Å; L38-L61 CarbonylContact O-C 3.57Å; L38-L61 WeakPolarHBondContact O-CA 3.42Å; L38-V62 PolarHBondContact N-O 2.62Å; L38-V62 PolarHBondContact O-N 3.21Å; L38-I65 HydrophobicContact CB-CD1 3.96Å; L38-I65 HydrophobicContact CD1-CD1 3.23Å; L38-I65 HydrophobicContact CG-CD1 3.37Å; L38-L100 WeakPolarHBondContact CA-O 3.49Å; L38-Y101 HydrophobicContact CD2-CD2 3.94Å; L38-Y101 HydrophobicContact CD2-CG 4.25Å; L38-F106 HydrophobicContact CD2-CE1 3.88Å; L38-F106 HydrophobicContact CD2-CZ 4.23Å
39E97.9Very high95.4Very high37 Ų3749.4 Ų49.417%0.17326%0.256CS..EExtended strand (participates in β ladder)trans-95.5130.4167.9-169.3-176.2-160.800109.4K41 S59 I60 L61 A99 L100E39-K41 HydrophobicContact CG-CG 4.42Å; E39-K41 WeakPolarHBondContact OE1-CE 3.41Å; E39-K41 IonicContact OE1-NZ 2.76Å; E39-K41 PolarHBondContact OE1-NZ 3.34Å; E39-K41 WeakPolarHBondContact OE2-CE 3.29Å; E39-K41 IonicContact OE2-NZ 2.93Å; E39-K41 PolarHBondContact OE2-NZ 3.17Å; E39-S59 WeakPolarHBondContact CG-OG 3.33Å; E39-S59 PolarHBondContact OE1-OG 2.65Å; E39-I60 CarbonylContact C-O 3.58Å; E39-I60 WeakPolarHBondContact CA-O 3.38Å; E39-L61 HydrophobicContact CB-CD2 3.75Å; E39-L61 HydrophobicContact CG-CD2 3.91Å; E39-A99 CarbonylContact O-C 3.54Å; E39-A99 WeakPolarHBondContact O-CA 3.41Å; E39-L100 HydrophobicContact CB-CB 4.27Å; E39-L100 HydrophobicContact CB-CD1 4.4Å; E39-L100 PolarHBondContact N-O 2.82Å; E39-L100 PolarHBondContact O-N 2.83Å
40W98.2Very high95.2Very high0 Ų048.8 Ų48.80%026%0.255CS..EExtended strand (participates in β ladder)trans-115.1123174-64.680.8000109.2I6 I26 F28 L38 S59 I60 F72 F74 I97 Q98 A99I6-W40 HydrophobicContact CD1-CH2 3.84Å; I6-W40 HydrophobicContact CD1-CZ3 3.7Å; I6-W40 HydrophobicContact CG1-CH2 3.83Å; I6-W40 HydrophobicContact CG1-CZ3 4.21Å; I26-W40 HydrophobicContact CD1-CE3 3.89Å; I26-W40 HydrophobicContact CD1-CZ3 4Å; I26-W40 HydrophobicContact CG2-CH2 3.7Å; I26-W40 HydrophobicContact CG2-CZ2 4.41Å; I26-W40 HydrophobicContact CG2-CZ3 3.75Å; F28-W40 HydrophobicContact CB-CH2 4.46Å; F28-W40 HydrophobicContact CD1-CH2 4.4Å; F28-W40 AromaticContact CD1-CZ2 3.9Å; F28-W40 HydrophobicContact CD1-CZ2 3.9Å; F28-W40 HydrophobicContact CE1-CZ2 4.26Å; F28-W40 HydrophobicContact CG-CZ2 4.16Å; L38-W40 HydrophobicContact CD1-CZ2 4.28Å; W40-S59 WeakPolarHBondContact O-CA 3.4Å; W40-I60 HydrophobicContact CB-CD1 4.44Å; W40-I60 HydrophobicContact CB-CG1 3.82Å; W40-I60 PolarHBondContact N-O 2.93Å; W40-I60 PolarHBondContact O-N 3.03Å; W40-F72 HydrophobicContact CD2-CE1 4.29Å; W40-F72 AromaticContact CD2-CZ 3.78Å; W40-F72 HydrophobicContact CD2-CZ 3.78Å; W40-F72 AromaticContact CE2-CE1 3.94Å; W40-F72 AromaticContact CE2-CZ 3.9Å; W40-F72 HydrophobicContact CE3-CZ 4.26Å; W40-F72 AromaticContact CG-CZ 3.9Å; W40-F72 HydrophobicContact CG-CZ 3.9Å; W40-F72 HydrophobicContact CZ2-CE1 4.19Å; W40-F72 HydrophobicContact CZ2-CZ 4.48Å; W40-F74 HydrophobicContact CB-CD1 4.45Å; W40-F74 HydrophobicContact CB-CE1 3.9Å; W40-F74 HydrophobicContact CB-CZ 4.3Å; W40-F74 WeakPolarHBondContact O-CZ 3.49Å; W40-I97 HydrophobicContact CE3-CG2 3.93Å; W40-I97 HydrophobicContact CZ3-CG2 4.18Å; W40-Q98 CarbonylContact C-O 3.58Å; W40-Q98 WeakPolarHBondContact CA-O 3.49Å; W40-A99 HydrophobicContact CD2-CB 3.95Å; W40-A99 HydrophobicContact CE3-CB 3.73Å; W40-A99 HydrophobicContact CH2-CB 3.89Å; W40-A99 HydrophobicContact CZ2-CB 4.1Å; W40-A99 HydrophobicContact CZ3-CB 3.7Å
41K98.3Very high95.2Very high47 Ų4752.9 Ų52.920%0.20428%0.282CS..EExtended strand (participates in β ladder)trans-113139.5176.4-64.4178.9-177.2161.80110.4E39 V43 T56 D58 I97 Q98 L100E39-K41 HydrophobicContact CG-CG 4.42Å; E39-K41 WeakPolarHBondContact OE1-CE 3.41Å; E39-K41 IonicContact OE1-NZ 2.76Å; E39-K41 PolarHBondContact OE1-NZ 3.34Å; E39-K41 WeakPolarHBondContact OE2-CE 3.29Å; E39-K41 IonicContact OE2-NZ 2.93Å; E39-K41 PolarHBondContact OE2-NZ 3.17Å; K41-V43 HydrophobicContact CB-CG2 4.23Å; K41-T56 HydrophobicContact CB-CG2 4.5Å; K41-D58 WeakPolarHBondContact CA-O 3.3Å; K41-I97 WeakPolarHBondContact O-CA 3.02Å; K41-Q98 HydrophobicContact CB-CB 4.33Å; K41-Q98 PolarHBondContact N-O 2.71Å; K41-Q98 PolarHBondContact O-N 2.76Å; K41-L100 HydrophobicContact CD-CD1 4.01Å; K41-L100 HydrophobicContact CG-CD1 4.11Å
42L98.5Very high95.3Very high1 Ų152.7 Ų52.71%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-105118.8163.4-169.974000108.8F22 F24 T56 L57 D58 F74 A76 V95 L96 I97F22-L42 HydrophobicContact CB-CD2 3.64Å; F22-L42 HydrophobicContact CD2-CD2 4.39Å; F22-L42 HydrophobicContact CG-CD2 4.01Å; F24-L42 HydrophobicContact CD2-CD1 4.05Å; F24-L42 HydrophobicContact CE2-CD1 3.45Å; F24-L42 VanDerWaalsContact CE2-CD1 3.45Å; F24-L42 HydrophobicContact CE2-CD2 3.94Å; F24-L42 HydrophobicContact CE2-CG 4.38Å; F24-L42 HydrophobicContact CZ-CD1 4.21Å; L42-T56 CarbonylContact O-C 3.59Å; L42-L57 HydrophobicContact CB-CB 4.43Å; L42-L57 HydrophobicContact CD2-CB 4.23Å; L42-L57 HydrophobicContact CD2-CD1 3.75Å; L42-L57 HydrophobicContact CG-CD1 4.24Å; L42-L57 PolarHBondContact O-N 3.33Å; L42-D58 PolarHBondContact N-O 2.99Å; L42-F74 HydrophobicContact CB-CE1 4.04Å; L42-F74 HydrophobicContact CB-CZ 4.04Å; L42-A76 HydrophobicContact CB-CB 4.35Å; L42-A76 HydrophobicContact CD2-CB 3.5Å; L42-A76 VanDerWaalsContact CD2-CB 3.5Å; L42-V95 HydrophobicContact CD1-CG2 3.61Å; L42-V95 HydrophobicContact CD2-CG2 4.32Å; L42-V95 HydrophobicContact CG-CG2 3.92Å; L42-L96 WeakPolarHBondContact CA-O 3.43Å; L42-I97 HydrophobicContact CD1-CG1 3.54Å
43V98.4Very high95.5Very high9 Ų950.2 Ų50.26%0.05528%0.279CS..EExtended strand (participates in β ladder)trans-118.7128.7-177.9-175.60000109.4K41 D54 Q55 V95 L96K41-V43 HydrophobicContact CB-CG2 4.23Å; V43-D54 HydrophobicContact CG1-CB 3.91Å; V43-Q55 CarbonylContact C-O 3.59Å; V43-Q55 WeakPolarHBondContact CA-O 3.47Å; V43-V95 CarbonylContact O-C 3.57Å; V43-V95 WeakPolarHBondContact O-CA 3.5Å; V43-L96 HydrophobicContact CB-CB 4.29Å; V43-L96 PolarHBondContact N-O 2.93Å; V43-L96 PolarHBondContact O-N 2.75Å
44Y98.5Very high95.9Very high1 Ų148.5 Ų48.50%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-100.8127173.2-175.1-86.2000109.6F22 S46 D54 Q55 P79 I84 T93 N115F22-Y44 HydrophobicContact CE2-CD2 4.29Å; F22-Y44 AromaticContact CZ-CD2 3.83Å; F22-Y44 HydrophobicContact CZ-CD2 3.83Å; F22-Y44 HydrophobicContact CZ-CE2 4.01Å; Y44-S46 PolarHBondContact O-N 3.39Å; Y44-D54 WeakPolarHBondContact O-CA 3.48Å; Y44-Q55 PolarHBondContact N-O 3.14Å; Y44-Q55 PolarHBondContact O-N 3.23Å; Y44-P79 HydrophobicContact CD1-CB 3.85Å; Y44-P79 HydrophobicContact CD1-CG 3.92Å; Y44-P79 HydrophobicContact CD2-CG 3.99Å; Y44-P79 HydrophobicContact CE1-CB 4.22Å; Y44-P79 HydrophobicContact CE1-CG 3.91Å; Y44-P79 HydrophobicContact CE2-CG 3.96Å; Y44-P79 HydrophobicContact CG-CB 4Å; Y44-P79 HydrophobicContact CG-CG 3.95Å; Y44-I84 HydrophobicContact CE1-CD1 3.75Å; Y44-I84 HydrophobicContact CE1-CG1 4.44Å; Y44-T93 HydrophobicContact CE1-CG2 4.11Å; Y44-T93 HydrophobicContact CE2-CG2 3.84Å; Y44-T93 VanDerWaalsContact CZ-CG2 3.48Å; Y44-T93 VanDerWaalsContact OH-CG2 3.29Å; Y44-T93 WeakPolarHBondContact OH-CG2 3.39Å; Y44-N115 PolarHBondContact OH-ND2 3.37Å
45V98.2Very high96.2Very high21 Ų2148.7 Ų48.713%0.12727%0.265CS..  trans-78.8112.2176.6177.60000108.4S47 D54 T93 V94 L96V45-S47 WeakPolarHBondContact CG1-O 3.43Å; V45-D54 WeakPolarHBondContact CA-OD1 3.46Å; V45-T93 PolarHBondContact O-OG1 2.77Å; V45-V94 HydrophobicContact CB-CB 4.36Å; V45-V94 WeakPolarHBondContact CB-O 3.35Å; V45-V94 HydrophobicContact CG2-CB 4.08Å; V45-V94 PolarHBondContact N-O 3.03Å; V45-L96 HydrophobicContact CG2-CD1 4.13Å; V45-L96 HydrophobicContact CG2-CG 4.38Å
46S97.2Very high96.5Very high1 Ų146.8 Ų46.81%0.00726%0.258CS..SBendtrans-81.7-29-178.1-610000112.2Y44 L53 Q55 I84 D88Y44-S46 PolarHBondContact O-N 3.39Å; S46-L53 WeakPolarHBondContact CB-O 3.39Å; S46-L53 PolarHBondContact OG-O 3.39Å; S46-Q55 PolarHBondContact OG-NE2 3.26Å; S46-I84 WeakPolarHBondContact O-CG2 3.36Å; S46-D88 WeakPolarHBondContact O-CB 3.48Å
47S95.8Very high96.8Very high9 Ų944.7 Ų44.76%0.06325%0.247CC..  trans-148.7136.3175.9-173.70000110.2V45 Y49 N50 D88V45-S47 WeakPolarHBondContact CG1-O 3.43Å; S47-Y49 PolarHBondContact O-N 3.07Å; S47-N50 PolarHBondContact O-N 3.45Å; S47-D88 WeakPolarHBondContact CA-OD2 3.34Å; S47-D88 WeakPolarHBondContact CB-OD2 3.22Å; S47-D88 PolarHBondContact OG-OD2 2.8Å
48A92.6Very high96.9Very high80 Ų8044.3 Ų44.366%0.66125%0.245SC*.THydrogen-bonded Turntrans-65.5-20.5179.700000113.4
49Y92.9Very high96.9Very high208 Ų20846.5 Ų46.582%0.81626%0.26SS*.THydrogen-bonded Turntrans-106.4-10.5-173.9-55.3-70.6000113.7S47S47-Y49 PolarHBondContact O-N 3.07Å
50N93.9Very high96.9Very high65 Ų6545.4 Ų45.435%0.34826%0.255SS..  trans-135.491.7-177.3-168.66000111.6S47 S52 L53S47-N50 PolarHBondContact O-N 3.45Å; N50-S52 PolarHBondContact ND2-OG 2.81Å; N50-S52 PolarHBondContact O-N 3.13Å; N50-S52 PolarHBondContact OD1-N 2.81Å; N50-S52 PolarHBondContact OD1-OG 2.8Å; N50-L53 HydrophobicContact CB-CD1 4.12Å; N50-L53 HydrophobicContact CB-CG 4.26Å; N50-L53 PolarHBondContact O-N 2.99Å
51P94.5Very high96.8Very high86 Ų8649.9 Ų49.956%0.55828%0.279SS*.G310 helixtrans-65.1-18.718027.1-34.7000113.4L53 D54P51-L53 PolarHBondContact O-N 3.46Å; P51-L53 VanDerWaalsContact O-N 3.16Å; P51-D54 WeakPolarHBondContact O-CB 3.37Å; P51-D54 VanDerWaalsContact O-CG 3.27Å; P51-D54 PolarHBondContact O-N 2.83Å
52S96.1Very high96.6Very high74 Ų7448 Ų4852%0.51727%0.271SS..G310 helixtrans-69.2-11.4177.375.50000113.5N50N50-S52 PolarHBondContact ND2-OG 2.81Å; N50-S52 PolarHBondContact O-N 3.13Å; N50-S52 PolarHBondContact OD1-N 2.81Å; N50-S52 PolarHBondContact OD1-OG 2.8Å
53L96.7Very high96.3Very high44 Ų4449 Ų4923%0.2328%0.282CS..G310 helixtrans-91-4.2172.7-58.5178.5000112.3S46 N50 P51 Q55 I83 P85S46-L53 WeakPolarHBondContact CB-O 3.39Å; S46-L53 PolarHBondContact OG-O 3.39Å; N50-L53 HydrophobicContact CB-CD1 4.12Å; N50-L53 HydrophobicContact CB-CG 4.26Å; N50-L53 PolarHBondContact O-N 2.99Å; P51-L53 PolarHBondContact O-N 3.46Å; P51-L53 VanDerWaalsContact O-N 3.16Å; L53-Q55 PolarHBondContact O-N 2.82Å; L53-I83 HydrophobicContact CB-CG2 4.39Å; L53-I83 HydrophobicContact CD2-CG2 4.3Å; L53-P85 HydrophobicContact CD1-CG 3.81Å
54D97.5Very high95.8Very high54 Ų5454.2 Ų54.229%0.28932%0.316SS..  trans-60.3132.2179.3-72.8-1.2000110.4V43 Y44 V45 P51V43-D54 HydrophobicContact CG1-CB 3.91Å; Y44-D54 WeakPolarHBondContact O-CA 3.48Å; V45-D54 WeakPolarHBondContact CA-OD1 3.46Å; P51-D54 WeakPolarHBondContact O-CB 3.37Å; P51-D54 VanDerWaalsContact O-CG 3.27Å; P51-D54 PolarHBondContact O-N 2.83Å
55Q98.2Very high95.3Very high21 Ų2154.5 Ų54.510%0.09832%0.317CS..EExtended strand (participates in β ladder)trans-105.6116.5-175-65.3-178.560.200109.7V43 Y44 S46 L53 L57 D80 I83V43-Q55 CarbonylContact C-O 3.59Å; V43-Q55 WeakPolarHBondContact CA-O 3.47Å; Y44-Q55 PolarHBondContact N-O 3.14Å; Y44-Q55 PolarHBondContact O-N 3.23Å; S46-Q55 PolarHBondContact OG-NE2 3.26Å; L53-Q55 PolarHBondContact O-N 2.82Å; Q55-L57 HydrophobicContact CB-CD2 4.19Å; Q55-L57 PolarHBondContact O-N 3.15Å; Q55-L57 VanDerWaalsContact O-N 3.17Å; Q55-D80 PolarHBondContact NE2-O 2.89Å; Q55-D80 VanDerWaalsContact NE2-O 3.07Å; Q55-I83 HydrophobicContact CG-CB 4.46Å; Q55-I83 HydrophobicContact CG-CD1 4.23Å; Q55-I83 HydrophobicContact CG-CG2 4.11Å
56T98.2Very high95Very high85 Ų8557 Ų5752%0.52133%0.334SS..EExtended strand (participates in β ladder)trans-73.8105.1165.6-60.10000108.3K41 L42K41-T56 HydrophobicContact CB-CG2 4.5Å; L42-T56 CarbonylContact O-C 3.59Å
57L98.2Very high94.9Very high28 Ų2861 Ų6115%0.14736%0.358CS..EExtended strand (participates in β ladder)trans-73.6-38.2-176.6-59.3-176.7000112.1F22 L42 Q55 A76 P79F22-L57 HydrophobicContact CD2-CD1 3.68Å; F22-L57 HydrophobicContact CE2-CD1 3.75Å; F22-L57 HydrophobicContact CG-CD1 4.48Å; L42-L57 HydrophobicContact CB-CB 4.43Å; L42-L57 HydrophobicContact CD2-CB 4.23Å; L42-L57 HydrophobicContact CD2-CD1 3.75Å; L42-L57 HydrophobicContact CG-CD1 4.24Å; L42-L57 PolarHBondContact O-N 3.33Å; Q55-L57 HydrophobicContact CB-CD2 4.19Å; Q55-L57 PolarHBondContact O-N 3.15Å; Q55-L57 VanDerWaalsContact O-N 3.17Å; L57-A76 HydrophobicContact CB-CB 3.9Å; L57-P79 HydrophobicContact CD2-CB 3.89Å
58D97.9Very high94.9Very high60 Ų6061.7 Ų61.732%0.32137%0.367SS..EExtended strand (participates in β ladder)trans-156.7156173.2-16315.7000111.1K41 L42 F74 A76K41-D58 WeakPolarHBondContact CA-O 3.3Å; L42-D58 PolarHBondContact N-O 2.99Å; D58-F74 HydrophobicContact CB-CE2 3.97Å; D58-F74 HydrophobicContact CB-CZ 4.4Å; D58-A76 HydrophobicContact CB-CB 3.61Å
59S97.7Very high95.1Very high45 Ų4564.5 Ų64.532%0.31536%0.36SS..EExtended strand (participates in β ladder)trans-137.8124.3170.8-172.20000110.2E39 W40E39-S59 WeakPolarHBondContact CG-OG 3.33Å; E39-S59 PolarHBondContact OE1-OG 2.65Å; W40-S59 WeakPolarHBondContact O-CA 3.4Å
60I97.2Very high95.3Very high15 Ų1554.9 Ų54.98%0.07732%0.323CS..EExtended strand (participates in β ladder)trans-124144.2179.666169.9000111.4E39 W40 V62 F72 F74E39-I60 CarbonylContact C-O 3.58Å; E39-I60 WeakPolarHBondContact CA-O 3.38Å; W40-I60 HydrophobicContact CB-CD1 4.44Å; W40-I60 HydrophobicContact CB-CG1 3.82Å; W40-I60 PolarHBondContact N-O 2.93Å; W40-I60 PolarHBondContact O-N 3.03Å; I60-V62 HydrophobicContact CD1-CG2 4.12Å; I60-V62 HydrophobicContact CG1-CG2 4.36Å; I60-F72 HydrophobicContact CD1-CD2 4.03Å; I60-F72 HydrophobicContact CD1-CE2 3.5Å; I60-F72 HydrophobicContact CD1-CZ 4.28Å; I60-F74 HydrophobicContact CB-CE2 4.48Å; I60-F74 HydrophobicContact CD1-CD2 3.8Å; I60-F74 HydrophobicContact CD1-CE2 3.94Å; I60-F74 HydrophobicContact CD1-CG 4.24Å; I60-F74 HydrophobicContact CD1-CZ 4.48Å; I60-F74 HydrophobicContact CG1-CD2 4.25Å; I60-F74 HydrophobicContact CG1-CE2 3.86Å; I60-F74 HydrophobicContact CG1-CZ 4.1Å; I60-F74 HydrophobicContact CG2-CD2 4.49Å; I60-F74 HydrophobicContact CG2-CE2 3.91Å
61L96.8Very high95.4Very high94 Ų9454.6 Ų54.649%0.49232%0.319SS..EExtended strand (participates in β ladder)trans-98.5131.6171.3-64.9174.3000109.7D37 L38 E39D37-L61 HydrophobicContact CB-CB 4.38Å; L38-L61 CarbonylContact O-C 3.57Å; L38-L61 WeakPolarHBondContact O-CA 3.42Å; E39-L61 HydrophobicContact CB-CD2 3.75Å; E39-L61 HydrophobicContact CG-CD2 3.91Å
62V94.5Very high95.5Very high7 Ų751 Ų514%0.04230%0.295CS..EExtended strand (participates in β ladder)trans-122.1107.1-179.8179.70000108.5F28 L38 I60 I65 F72 V233F28-V62 HydrophobicContact CZ-CG1 4.35Å; L38-V62 PolarHBondContact N-O 2.62Å; L38-V62 PolarHBondContact O-N 3.21Å; I60-V62 HydrophobicContact CD1-CG2 4.12Å; I60-V62 HydrophobicContact CG1-CG2 4.36Å; V62-I65 HydrophobicContact CG1-CD1 4.12Å; V62-I65 HydrophobicContact CG1-CG1 4.39Å; V62-I65 WeakPolarHBondContact O-CD1 3.37Å; V62-I65 WeakPolarHBondContact O-CG1 3.31Å; V62-F72 HydrophobicContact CG2-CZ 4.46Å; V62-V233 HydrophobicContact CG1-CG2 3.52Å
63G90.6Very high95.5Very high22 Ų2251.4 Ų51.423%0.22730%0.297CS..  trans179.917416900000112.9D37D37-G63 WeakPolarHBondContact OD1-CA 3.26Å
64P88.4Confident95.6Very high118 Ų11849.5 Ų49.577%0.76629%0.287SS*.  cis-66.7150.3-2.529.7-35.9000112P66P64-P66 WeakPolarHBondContact O-CD 3.5Å
65I89.3Confident95.6Very high8 Ų851.9 Ų51.94%0.04130%0.297CS..  trans-110.1103.3-177-53.6-169000110.9F28 C30 L34 L38 V62F28-I65 HydrophobicContact CE2-CD1 3.95Å; F28-I65 HydrophobicContact CE2-CG2 3.82Å; F28-I65 HydrophobicContact CZ-CD1 3.98Å; F28-I65 HydrophobicContact CZ-CG2 4.3Å; C30-I65 HydrophobicContact CB-CG2 3.65Å; L34-I65 HydrophobicContact CD1-CB 4.28Å; L34-I65 HydrophobicContact CD1-CD1 4.11Å; L38-I65 HydrophobicContact CB-CD1 3.96Å; L38-I65 HydrophobicContact CD1-CD1 3.23Å; L38-I65 HydrophobicContact CG-CD1 3.37Å; V62-I65 HydrophobicContact CG1-CD1 4.12Å; V62-I65 HydrophobicContact CG1-CG1 4.39Å; V62-I65 WeakPolarHBondContact O-CD1 3.37Å; V62-I65 WeakPolarHBondContact O-CG1 3.31Å
66P91.3Very high95.6Very high74 Ų7451 Ų5148%0.48129%0.294SS..  trans-63158.5171.3-20.332.3000112.2P64 G68 H70P64-P66 WeakPolarHBondContact O-CD 3.5Å; P66-G68 PolarHBondContact O-N 2.99Å; P66-H70 PolarHBondContact O-NE2 2.99Å
67V95.4Very high95.6Very high85 Ų8552.8 Ų52.852%0.51530%0.299SS..SBendtrans-61.8132.7167.8176.30000109.4C30C30-V67 WeakPolarHBondContact O-CA 3.21Å; C30-V67 WeakPolarHBondContact O-CG1 3.09Å
68G95.8Very high95.5Very high23 Ų2352.5 Ų52.524%0.23730%0.301CS..EExtended strand (participates in β ladder)trans140-170.3-179.600000113.2E29 C30 P66 H70E29-G68 WeakPolarHBondContact CA-O 3.28Å; C30-G68 PolarHBondContact N-O 2.8Å; C30-G68 PolarHBondContact O-N 3.16Å; P66-G68 PolarHBondContact O-N 2.99Å; G68-H70 PolarHBondContact O-CD2 3.21Å
69R96.7Very high95.5Very high139 Ų13949.8 Ų49.853%0.52529%0.287SS..EExtended strand (participates in β ladder)trans-98.9134.6178.9-172.9175.3179.2170.20.5110.1T27 F28T27-R69 HydrophobicContact CG2-CG 3.99Å; F28-R69 WeakPolarHBondContact O-CA 3.5Å
70H96.3Very high95.5Very high6 Ų651 Ų513%0.02829%0.29CS..EExtended strand (participates in β ladder)trans-130.9150.5-172.3-66-65000110.7T27 F28 P66 G68 V233T27-H70 WeakPolarHBondContact CA-O 3.28Å; F28-H70 HydrophobicContact CD1-CB 4.08Å; F28-H70 HydrophobicContact CD2-CB 4.25Å; F28-H70 HydrophobicContact CE1-CB 3.58Å; F28-H70 HydrophobicContact CE2-CB 3.77Å; F28-H70 AromaticContact CE2-CD2 3.74Å; F28-H70 HydrophobicContact CG-CB 4.4Å; F28-H70 HydrophobicContact CZ-CB 3.41Å; F28-H70 VanDerWaalsContact CZ-CB 3.41Å; F28-H70 AromaticContact CZ-CG 3.94Å; F28-H70 PolarHBondContact N-O 2.89Å; F28-H70 PolarHBondContact O-N 3.13Å; P66-H70 PolarHBondContact O-NE2 2.99Å; G68-H70 PolarHBondContact O-CD2 3.21Å; H70-V233 HydrophobicContact CB-CG1 3.72Å
71Q96.5Very high95.5Very high58 Ų5851.5 Ų51.527%0.27129%0.294SS..EExtended strand (participates in β ladder)trans-144.9138.3177.2-177.9176.9-30.900111.1R25 I26R25-Q71 HydrophobicContact CG-CG 4.06Å; I26-Q71 VanDerWaalsContact O-CA 3.24Å; I26-Q71 WeakPolarHBondContact O-CA 3.39Å
72F96.4Very high95.4Very high11 Ų1155.8 Ų55.85%0.04831%0.309CS..EExtended strand (participates in β ladder)trans-146.2162.6173.369.6-82.8000111.1I26 F28 W40 I60 V62 F74 V233I26-F72 HydrophobicContact CB-CD1 4.41Å; I26-F72 HydrophobicContact CB-CE1 3.91Å; I26-F72 HydrophobicContact CB-CZ 3.99Å; I26-F72 HydrophobicContact CD1-CE2 4.18Å; I26-F72 HydrophobicContact CD1-CZ 3.79Å; I26-F72 HydrophobicContact CG1-CZ 4.39Å; I26-F72 HydrophobicContact CG2-CE1 3.98Å; I26-F72 HydrophobicContact CG2-CZ 4.26Å; I26-F72 PolarHBondContact N-O 3.44Å; I26-F72 PolarHBondContact O-N 3.45Å; I26-F72 VanDerWaalsContact O-N 3.08Å; F28-F72 HydrophobicContact CD1-CD1 4.31Å; F28-F72 HydrophobicContact CD1-CE1 4.03Å; F28-F72 AromaticContact CE1-CD1 3.84Å; F28-F72 HydrophobicContact CE1-CD1 3.84Å; F28-F72 AromaticContact CE1-CE1 3.76Å; F28-F72 HydrophobicContact CE1-CE1 3.76Å; W40-F72 HydrophobicContact CD2-CE1 4.29Å; W40-F72 AromaticContact CD2-CZ 3.78Å; W40-F72 HydrophobicContact CD2-CZ 3.78Å; W40-F72 AromaticContact CE2-CE1 3.94Å; W40-F72 AromaticContact CE2-CZ 3.9Å; W40-F72 HydrophobicContact CE3-CZ 4.26Å; W40-F72 AromaticContact CG-CZ 3.9Å; W40-F72 HydrophobicContact CG-CZ 3.9Å; W40-F72 HydrophobicContact CZ2-CE1 4.19Å; W40-F72 HydrophobicContact CZ2-CZ 4.48Å; I60-F72 HydrophobicContact CD1-CD2 4.03Å; I60-F72 HydrophobicContact CD1-CE2 3.5Å; I60-F72 HydrophobicContact CD1-CZ 4.28Å; V62-F72 HydrophobicContact CG2-CZ 4.46Å; F72-F74 HydrophobicContact CD2-CB 4.3Å; F72-F74 HydrophobicContact CE2-CB 3.73Å; F72-F74 HydrophobicContact CE2-CD1 4.46Å; F72-F74 HydrophobicContact CE2-CG 4.1Å; F72-V233 HydrophobicContact CB-CG2 4.42Å
73S96.8Very high95.5Very high82 Ų8259 Ų5957%0.57333%0.325SS*.EExtended strand (participates in β ladder)trans-94.8126.1171.7-61.60000109.2F24F24-S73 CarbonylContact O-C 3.59Å; F24-S73 WeakPolarHBondContact O-CA 3.49Å
74F97.4Very high95.8Very high4 Ų458.2 Ų58.22%0.01832%0.316CS..EExtended strand (participates in β ladder)trans-108.6110.6174.8-162.8-174.2000108.8F24 I26 W40 L42 D58 I60 F72F24-F74 HydrophobicContact CB-CB 4.47Å; F24-F74 PolarHBondContact N-O 2.9Å; F24-F74 PolarHBondContact O-N 2.91Å; I26-F74 HydrophobicContact CD1-CB 4.05Å; I26-F74 HydrophobicContact CD1-CD1 3.85Å; I26-F74 HydrophobicContact CD1-CG 4.45Å; W40-F74 HydrophobicContact CB-CD1 4.45Å; W40-F74 HydrophobicContact CB-CE1 3.9Å; W40-F74 HydrophobicContact CB-CZ 4.3Å; W40-F74 WeakPolarHBondContact O-CZ 3.49Å; L42-F74 HydrophobicContact CB-CE1 4.04Å; L42-F74 HydrophobicContact CB-CZ 4.04Å; D58-F74 HydrophobicContact CB-CE2 3.97Å; D58-F74 HydrophobicContact CB-CZ 4.4Å; I60-F74 HydrophobicContact CB-CE2 4.48Å; I60-F74 HydrophobicContact CD1-CD2 3.8Å; I60-F74 HydrophobicContact CD1-CE2 3.94Å; I60-F74 HydrophobicContact CD1-CG 4.24Å; I60-F74 HydrophobicContact CD1-CZ 4.48Å; I60-F74 HydrophobicContact CG1-CD2 4.25Å; I60-F74 HydrophobicContact CG1-CE2 3.86Å; I60-F74 HydrophobicContact CG1-CZ 4.1Å; I60-F74 HydrophobicContact CG2-CD2 4.49Å; I60-F74 HydrophobicContact CG2-CE2 3.91Å; F72-F74 HydrophobicContact CD2-CB 4.3Å; F72-F74 HydrophobicContact CE2-CB 3.73Å; F72-F74 HydrophobicContact CE2-CD1 4.46Å; F72-F74 HydrophobicContact CE2-CG 4.1Å
75E97.7Very high96.1Very high104 Ų10454.3 Ų54.349%0.48629%0.29SS..EExtended strand (participates in β ladder)trans-117.5132179.5178.8168.317800109.9P21 F22 K23P21-E75 HydrophobicContact CB-CG 3.82Å; P21-E75 WeakPolarHBondContact CB-OE1 3.44Å; F22-E75 CarbonylContact O-C 3.58Å; F22-E75 VanDerWaalsContact O-CA 3.24Å; F22-E75 WeakPolarHBondContact O-CA 3.42Å; K23-E75 VanDerWaalsContact CE-OE1 3.28Å; K23-E75 WeakPolarHBondContact CE-OE1 3.36Å; K23-E75 HydrophobicContact CG-CB 4.27Å; K23-E75 HydrophobicContact CG-CG 3.88Å
76A98.1Very high96.3Very high4 Ų458.7 Ų58.73%0.03331%0.314CS..EExtended strand (participates in β ladder)trans-139148.9179.600000110.6P21 F22 L42 L57 D58P21-A76 CarbonylContact C-O 3.6Å; P21-A76 WeakPolarHBondContact CA-O 3.31Å; P21-A76 WeakPolarHBondContact CB-O 3.48Å; F22-A76 PolarHBondContact N-O 3.39Å; F22-A76 PolarHBondContact O-N 3Å; L42-A76 HydrophobicContact CB-CB 4.35Å; L42-A76 HydrophobicContact CD2-CB 3.5Å; L42-A76 VanDerWaalsContact CD2-CB 3.5Å; L57-A76 HydrophobicContact CB-CB 3.9Å; D58-A76 HydrophobicContact CB-CB 3.61Å
77N97.9Very high96.5Very high121 Ų12163 Ų6365%0.64733%0.328SS*.PPolyproline II helixtrans-65.5161.9178.5-66.3-48.6000111.8
78A97.7Very high96.5Very high22 Ų2260.8 Ų60.818%0.18231%0.313CS..PPolyproline II helixtrans-62.2154.3171.300000111.9F18F18-A78 WeakPolarHBondContact O-CB 3.42Å
79P97.7Very high96.5Very high4 Ų459.9 Ų59.93%0.02630%0.302CS..PPolyproline II helixtrans-61.2153.9174.227.6-37.4000112F18 Y44 L57 P81 I84F18-P79 HydrophobicContact CZ-CG 4.02Å; Y44-P79 HydrophobicContact CD1-CB 3.85Å; Y44-P79 HydrophobicContact CD1-CG 3.92Å; Y44-P79 HydrophobicContact CD2-CG 3.99Å; Y44-P79 HydrophobicContact CE1-CB 4.22Å; Y44-P79 HydrophobicContact CE1-CG 3.91Å; Y44-P79 HydrophobicContact CE2-CG 3.96Å; Y44-P79 HydrophobicContact CG-CB 4Å; Y44-P79 HydrophobicContact CG-CG 3.95Å; L57-P79 HydrophobicContact CD2-CB 3.89Å; P79-P81 VanDerWaalsContact O-CD 3.26Å; P79-P81 WeakPolarHBondContact O-CD 3.19Å; P79-I84 HydrophobicContact CB-CD1 4.13Å; P79-I84 HydrophobicContact CG-CD1 4.04Å
80D97.2Very high96.5Very high69 Ų6955.6 Ų55.637%0.36929%0.292SS..  trans-71114.3168.5-174.5-7.2000108.9Q55 K82 I83Q55-D80 PolarHBondContact NE2-O 2.89Å; Q55-D80 VanDerWaalsContact NE2-O 3.07Å; D80-K82 PolarHBondContact O-N 3.33Å; D80-K82 VanDerWaalsContact O-N 3.13Å; D80-K82 WeakPolarHBondContact OD1-CB 3.45Å; D80-K82 WeakPolarHBondContact OD1-CG 3.35Å; D80-K82 PolarHBondContact OD1-N 2.95Å; D80-I83 HydrophobicContact CB-CD1 4.07Å; D80-I83 HydrophobicContact CB-CG1 4.27Å; D80-I83 PolarHBondContact O-N 2.66Å
81P96Very high96.5Very high27 Ų2756.5 Ų56.518%0.17530%0.303CS..THydrogen-bonded Turntrans-63.7-18.2-179.327.3-36.8000113.3F18 F19 P79 I83 I84 L132F18-P81 HydrophobicContact CE1-CB 4.15Å; F19-P81 HydrophobicContact CE1-CG 4.44Å; P79-P81 VanDerWaalsContact O-CD 3.26Å; P79-P81 WeakPolarHBondContact O-CD 3.19Å; P81-I83 VanDerWaalsContact C-N 3.29Å; P81-I83 PolarHBondContact O-N 3.05Å; P81-I84 PolarHBondContact O-N 2.83Å; P81-L132 HydrophobicContact CB-CD1 3.45Å; P81-L132 VanDerWaalsContact CB-CD1 3.45Å; P81-L132 HydrophobicContact CB-CD2 4.13Å; P81-L132 HydrophobicContact CB-CG 4.46Å; P81-L132 HydrophobicContact CG-CD1 3.58Å
82K95.6Very high96.5Very high184 Ų18458.3 Ų58.380%0.832%0.317SS*.THydrogen-bonded Turntrans-72.8-22.2-179.5-63.2173.7-176.2171.60113.6D80D80-K82 PolarHBondContact O-N 3.33Å; D80-K82 VanDerWaalsContact O-N 3.13Å; D80-K82 WeakPolarHBondContact OD1-CB 3.45Å; D80-K82 WeakPolarHBondContact OD1-CG 3.35Å; D80-K82 PolarHBondContact OD1-N 2.95Å
83I95.8Very high96.5Very high73 Ų7358.5 Ų58.537%0.37432%0.32SS..THydrogen-bonded Turntrans-85.8-23179-58.9175.4000110.2L53 Q55 D80 P81L53-I83 HydrophobicContact CB-CG2 4.39Å; L53-I83 HydrophobicContact CD2-CG2 4.3Å; Q55-I83 HydrophobicContact CG-CB 4.46Å; Q55-I83 HydrophobicContact CG-CD1 4.23Å; Q55-I83 HydrophobicContact CG-CG2 4.11Å; D80-I83 HydrophobicContact CB-CD1 4.07Å; D80-I83 HydrophobicContact CB-CG1 4.27Å; D80-I83 PolarHBondContact O-N 2.66Å; P81-I83 VanDerWaalsContact C-N 3.29Å; P81-I83 PolarHBondContact O-N 3.05Å
84I97Very high96.6Very high6 Ų656.4 Ų56.43%0.03130%0.304CS..SBendtrans-80.8126.3-179.1-50.5175.9000109.1F18 Y44 S46 P79 P81 N86 D88 I89F18-I84 HydrophobicContact CZ-CD1 3.89Å; Y44-I84 HydrophobicContact CE1-CD1 3.75Å; Y44-I84 HydrophobicContact CE1-CG1 4.44Å; S46-I84 WeakPolarHBondContact O-CG2 3.36Å; P79-I84 HydrophobicContact CB-CD1 4.13Å; P79-I84 HydrophobicContact CG-CD1 4.04Å; P81-I84 PolarHBondContact O-N 2.83Å; I84-N86 PolarHBondContact O-N 2.83Å; I84-D88 HydrophobicContact CG2-CB 4.14Å; I84-I89 HydrophobicContact CB-CG1 3.89Å; I84-I89 HydrophobicContact CG2-CB 4.45Å; I84-I89 HydrophobicContact CG2-CG1 3.57Å
85P95.9Very high96.6Very high36 Ų3656.3 Ų56.323%0.23430%0.303CS..  trans-55.4136.9170.6-24.735.5000111L53 E87 D88 I89L53-P85 HydrophobicContact CD1-CG 3.81Å; P85-E87 HydrophobicContact CB-CG 4.18Å; P85-E87 PolarHBondContact O-N 2.93Å; P85-D88 HydrophobicContact CB-CB 4.35Å; P85-D88 PolarHBondContact O-N 2.86Å; P85-I89 PolarHBondContact O-N 2.87Å
86N93.9Very high96.6Very high101 Ų10152.3 Ų52.354%0.5429%0.285SS..Hα-helixtrans-53.8-32.4-176.4-79-19.1000113.6I84 D88 P130I84-N86 PolarHBondContact O-N 2.83Å; N86-D88 VanDerWaalsContact C-N 3.34Å; N86-P130 WeakPolarHBondContact O-CG 3.28Å
87E93.9Very high96.7Very high164 Ų16452.1 Ų52.177%0.76628%0.283SS*.Hα-helixtrans-72.3-23.7177.461.4-172.7-169.100114.1P85P85-E87 HydrophobicContact CB-CG 4.18Å; P85-E87 PolarHBondContact O-N 2.93Å
88D95.9Very high96.7Very high38 Ų3847.5 Ų47.520%0.20326%0.258CS..Hα-helixtrans-96.8-8.1-179-70.5-39.3000112.7S46 S47 I84 P85 N86S46-D88 WeakPolarHBondContact O-CB 3.48Å; S47-D88 WeakPolarHBondContact CA-OD2 3.34Å; S47-D88 WeakPolarHBondContact CB-OD2 3.22Å; S47-D88 PolarHBondContact OG-OD2 2.8Å; I84-D88 HydrophobicContact CG2-CB 4.14Å; P85-D88 HydrophobicContact CB-CB 4.35Å; P85-D88 PolarHBondContact O-N 2.86Å; N86-D88 VanDerWaalsContact C-N 3.34Å
89I96.1Very high96.7Very high4 Ų446.5 Ų46.52%0.02125%0.249CC..Hα-helixtrans-64.8-44.3178.6-69.2177.5000111.2I84 P85 N115 P130 L132 L135I84-I89 HydrophobicContact CB-CG1 3.89Å; I84-I89 HydrophobicContact CG2-CB 4.45Å; I84-I89 HydrophobicContact CG2-CG1 3.57Å; P85-I89 PolarHBondContact O-N 2.87Å; I89-N115 VanDerWaalsContact O-CB 3.28Å; I89-N115 WeakPolarHBondContact O-CB 3.38Å; I89-N115 PolarHBondContact O-ND2 3.22Å; I89-N115 VanDerWaalsContact O-ND2 3.13Å; I89-P130 HydrophobicContact CB-CB 4.22Å; I89-P130 HydrophobicContact CB-CG 4.1Å; I89-P130 HydrophobicContact CD1-CB 4.35Å; I89-P130 HydrophobicContact CD1-CG 4.17Å; I89-P130 HydrophobicContact CG2-CB 3.76Å; I89-P130 HydrophobicContact CG2-CG 4.21Å; I89-L132 HydrophobicContact CD1-CD2 4.36Å; I89-L132 HydrophobicContact CG2-CD2 3.57Å; I89-L135 HydrophobicContact CG2-CD1 3.69Å
90V96.4Very high96.7Very high49 Ų4946.8 Ų46.830%0.29725%0.251SS..SBendtrans-102.9128.4-178.5-1730000109.2Y117 P130 L135V90-Y117 HydrophobicContact CG1-CE2 4.17Å; V90-Y117 HydrophobicContact CG2-CE2 4.18Å; V90-P130 HydrophobicContact CG2-CB 4.08Å; V90-P130 HydrophobicContact CG2-CG 4.32Å; V90-L135 HydrophobicContact CG1-CD2 4.47Å; V90-L135 HydrophobicContact CG2-CD1 4.37Å; V90-L135 HydrophobicContact CG2-CD2 3.99Å
91G96Very high96.6Very high26 Ų2643.5 Ų43.527%0.26823%0.233SC..EExtended strand (participates in β ladder)trans120.7-154.4-17700000112.5N114 N115G91-N114 WeakPolarHBondContact O-CA 3.39Å; G91-N114 PolarHBondContact O-OD1 2.82Å; G91-N115 PolarHBondContact N-O 3.16Å; G91-N115 PolarHBondContact O-N 2.72Å
92V97Very high96.5Very high95 Ų9546.9 Ų46.958%0.57624%0.243SC*.EExtended strand (participates in β ladder)trans-99.2128-172.2-178.40000110.6Y112 V113 N114V92-Y112 HydrophobicContact CG1-CD1 3.78Å; V92-Y112 HydrophobicContact CG1-CG 4.42Å; V92-V113 CarbonylContact C-O 3.54Å; V92-V113 WeakPolarHBondContact CA-O 3.34Å; V92-N114 HydrophobicContact CG2-CB 4.46Å
93T97.4Very high96.5Very high16 Ų1644.5 Ų44.510%0.09824%0.239CC..EExtended strand (participates in β ladder)trans-132.2-167.8167.9-169.60000110.7Y44 V45 Y112 V113Y44-T93 HydrophobicContact CE1-CG2 4.11Å; Y44-T93 HydrophobicContact CE2-CG2 3.84Å; Y44-T93 VanDerWaalsContact CZ-CG2 3.48Å; Y44-T93 VanDerWaalsContact OH-CG2 3.29Å; Y44-T93 WeakPolarHBondContact OH-CG2 3.39Å; V45-T93 PolarHBondContact O-OG1 2.77Å; T93-Y112 CarbonylContact O-C 3.52Å; T93-Y112 WeakPolarHBondContact O-CA 3.42Å; T93-V113 HydrophobicContact CG2-CB 4.05Å; T93-V113 PolarHBondContact N-O 2.88Å; T93-V113 PolarHBondContact O-N 3.4Å
94V97.8Very high96.5Very high38 Ų3843.8 Ų43.823%0.2323%0.233CC..EExtended strand (participates in β ladder)trans-130.2139.9-177.1-179.30000110.5V45 L96 Y111 Y112V45-V94 HydrophobicContact CB-CB 4.36Å; V45-V94 WeakPolarHBondContact CB-O 3.35Å; V45-V94 HydrophobicContact CG2-CB 4.08Å; V45-V94 PolarHBondContact N-O 3.03Å; V94-L96 HydrophobicContact CG1-CD2 3.49Å; V94-L96 VanDerWaalsContact CG1-CD2 3.49Å; V94-L96 HydrophobicContact CG1-CG 4.07Å; V94-Y111 CarbonylContact C-O 3.55Å; V94-Y111 VanDerWaalsContact CA-O 3.28Å; V94-Y111 WeakPolarHBondContact CA-O 3.03Å; V94-Y111 WeakPolarHBondContact CG1-O 2.91Å; V94-Y112 HydrophobicContact CG2-CD1 3.79Å; V94-Y112 HydrophobicContact CG2-CE1 3.87Å
95V98.1Very high96.5Very high1 Ų143.8 Ų43.81%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-111.4135.6163.368.20000109.1F22 F24 L42 V43 G110 Y111 V113F22-V95 HydrophobicContact CD1-CG2 4.3Å; F22-V95 HydrophobicContact CE1-CB 4.23Å; F22-V95 HydrophobicContact CE1-CG1 4.25Å; F22-V95 HydrophobicContact CE1-CG2 4.14Å; F24-V95 HydrophobicContact CZ-CG1 4.14Å; L42-V95 HydrophobicContact CD1-CG2 3.61Å; L42-V95 HydrophobicContact CD2-CG2 4.32Å; L42-V95 HydrophobicContact CG-CG2 3.92Å; V43-V95 CarbonylContact O-C 3.57Å; V43-V95 WeakPolarHBondContact O-CA 3.5Å; V95-G110 CarbonylContact O-C 3.56Å; V95-G110 WeakPolarHBondContact O-CA 3.24Å; V95-Y111 PolarHBondContact N-O 2.85Å; V95-Y111 PolarHBondContact O-N 2.82Å; V95-V113 HydrophobicContact CB-CG2 3.87Å; V95-V113 HydrophobicContact CG1-CG2 3.59Å
96L98.2Very high96.5Very high20 Ų2042.3 Ų42.311%0.10522%0.222CC..EExtended strand (participates in β ladder)trans-117.2127.4-174.9-56.4174.3000109.8L42 V43 V45 V94 R108L42-L96 WeakPolarHBondContact CA-O 3.43Å; V43-L96 HydrophobicContact CB-CB 4.29Å; V43-L96 PolarHBondContact N-O 2.93Å; V43-L96 PolarHBondContact O-N 2.75Å; V45-L96 HydrophobicContact CG2-CD1 4.13Å; V45-L96 HydrophobicContact CG2-CG 4.38Å; V94-L96 HydrophobicContact CG1-CD2 3.49Å; V94-L96 VanDerWaalsContact CG1-CD2 3.49Å; V94-L96 HydrophobicContact CG1-CG 4.07Å; L96-R108 HydrophobicContact CB-CG 4.44Å; L96-R108 HydrophobicContact CD2-CG 4.26Å
97I98.4Very high96.7Very high0 Ų037.6 Ų37.60%020%0.197CC..EExtended strand (participates in β ladder)trans-99.6116.6165.3-61.2162.4000106.9V9 F24 I26 W40 K41 L42 R108 V109 Y111V9-I97 HydrophobicContact CG1-CD1 3.68Å; F24-I97 HydrophobicContact CB-CD1 4.29Å; F24-I97 HydrophobicContact CD1-CD1 3.78Å; F24-I97 HydrophobicContact CD2-CD1 4.01Å; F24-I97 HydrophobicContact CD2-CG1 4.49Å; F24-I97 HydrophobicContact CE1-CD1 4.03Å; F24-I97 HydrophobicContact CE2-CD1 4.26Å; F24-I97 HydrophobicContact CG-CD1 3.76Å; F24-I97 HydrophobicContact CZ-CD1 4.27Å; I26-I97 HydrophobicContact CD1-CD1 4.48Å; I26-I97 HydrophobicContact CD1-CG2 3.86Å; W40-I97 HydrophobicContact CE3-CG2 3.93Å; W40-I97 HydrophobicContact CZ3-CG2 4.18Å; K41-I97 WeakPolarHBondContact O-CA 3.02Å; L42-I97 HydrophobicContact CD1-CG1 3.54Å; I97-R108 CarbonylContact O-C 3.56Å; I97-R108 WeakPolarHBondContact O-CA 3.36Å; I97-V109 HydrophobicContact CB-CB 4.42Å; I97-V109 PolarHBondContact N-O 2.87Å; I97-V109 PolarHBondContact O-N 2.85Å; I97-Y111 HydrophobicContact CD1-CE2 4.42Å
98Q98.2Very high96.9Very high25 Ų2533.3 Ų33.312%0.11717%0.174CC..EExtended strand (participates in β ladder)trans-108.7135.3178.4-60.1173.8-10.400108.7W40 K41 L100 E105 R108W40-Q98 CarbonylContact C-O 3.58Å; W40-Q98 WeakPolarHBondContact CA-O 3.49Å; K41-Q98 HydrophobicContact CB-CB 4.33Å; K41-Q98 PolarHBondContact N-O 2.71Å; K41-Q98 PolarHBondContact O-N 2.76Å; Q98-L100 HydrophobicContact CB-CD1 4.14Å; Q98-E105 HydrophobicContact CB-CG 4.48Å; Q98-R108 HydrophobicContact CG-CG 4.18Å
99A97.6Very high97Very high0 Ų031.7 Ų31.70%017%0.165CC..EExtended strand (participates in β ladder)trans-115.9130167.100000109.7E39 W40 F106 I107E39-A99 CarbonylContact O-C 3.54Å; E39-A99 WeakPolarHBondContact O-CA 3.41Å; W40-A99 HydrophobicContact CD2-CB 3.95Å; W40-A99 HydrophobicContact CE3-CB 3.73Å; W40-A99 HydrophobicContact CH2-CB 3.89Å; W40-A99 HydrophobicContact CZ2-CB 4.1Å; W40-A99 HydrophobicContact CZ3-CB 3.7Å; A99-F106 VanDerWaalsContact C-CE1 3.49Å; A99-F106 HydrophobicContact CB-CD1 4.46Å; A99-F106 HydrophobicContact CB-CE1 3.58Å; A99-F106 HydrophobicContact CB-CE2 4.49Å; A99-F106 HydrophobicContact CB-CZ 3.61Å; A99-F106 WeakPolarHBondContact O-CD1 3.29Å; A99-F106 WeakPolarHBondContact O-CE1 3.29Å; A99-F106 PolarHBondContact O-N 2.93Å; A99-I107 HydrophobicContact CB-CG2 3.69Å; A99-I107 PolarHBondContact N-O 3.17Å
100L97.7Very high97.1Very high11 Ų1131.8 Ų31.86%0.05817%0.167CC..EExtended strand (participates in β ladder)trans-121.4149.1-177.5-51.187.7000109.9L38 E39 K41 Q98 K104 E105L38-L100 WeakPolarHBondContact CA-O 3.49Å; E39-L100 HydrophobicContact CB-CB 4.27Å; E39-L100 HydrophobicContact CB-CD1 4.4Å; E39-L100 PolarHBondContact N-O 2.82Å; E39-L100 PolarHBondContact O-N 2.83Å; K41-L100 HydrophobicContact CD-CD1 4.01Å; K41-L100 HydrophobicContact CG-CD1 4.11Å; Q98-L100 HydrophobicContact CB-CD1 4.14Å; L100-K104 VanDerWaalsContact CA-O 3.3Å; L100-K104 WeakPolarHBondContact CA-O 3.14Å; L100-E105 HydrophobicContact CD2-CB 4.31Å; L100-E105 HydrophobicContact CG-CB 4.11Å
101Y96.2Very high97.2Very high0 Ų029.7 Ų29.70%015%0.154CC..EExtended strand (participates in β ladder)trans-131.9125.1168.7179.9-115.4000107.6L34 D35 D36 L38 D103 K104 I151 W153L34-Y101 HydrophobicContact CB-CE2 4.09Å; L34-Y101 HydrophobicContact CD1-CD2 4.38Å; L34-Y101 HydrophobicContact CD1-CE2 4.36Å; L34-Y101 HydrophobicContact CD2-CE2 4.38Å; D35-Y101 PolarHBondContact N-OH 3.11Å; D36-Y101 HydrophobicContact CB-CE2 3.73Å; D36-Y101 WeakPolarHBondContact O-CE2 3.3Å; L38-Y101 HydrophobicContact CD2-CD2 3.94Å; L38-Y101 HydrophobicContact CD2-CG 4.25Å; Y101-D103 VanDerWaalsContact C-N 3.33Å; Y101-D103 PolarHBondContact O-N 3.19Å; Y101-K104 PolarHBondContact N-O 2.84Å; Y101-K104 WeakPolarHBondContact O-CB 3.36Å; Y101-K104 PolarHBondContact O-N 3.23Å; Y101-I151 HydrophobicContact CD1-CD1 4.16Å; Y101-I151 HydrophobicContact CG-CD1 4.48Å; Y101-W153 HydrophobicContact CD1-CD2 4.39Å; Y101-W153 AromaticContact CD1-CE3 3.58Å; Y101-W153 HydrophobicContact CD1-CE3 3.58Å; Y101-W153 AromaticContact CD1-CZ3 3.97Å; Y101-W153 HydrophobicContact CD1-CZ3 3.97Å; Y101-W153 AromaticContact CE1-CE3 3.98Å; Y101-W153 HydrophobicContact CE1-CE3 3.98Å; Y101-W153 HydrophobicContact CG-CE3 4.15Å; Y101-W153 HydrophobicContact CG-CZ3 4.06Å
102R94.3Very high97.3Very high98 Ų9833.4 Ų33.437%0.3716%0.161SC..THydrogen-bonded Turntrans51.548.9-174.2-60.3-179.7168.31634.3113D35 D36 K104D35-R102 IonicContact OD2-NH2 3.6Å; D36-R102 IonicContact OD2-CZ 2.93Å; D36-R102 VanDerWaalsContact OD2-CZ 3.26Å; D36-R102 IonicContact OD2-NE 3.41Å; D36-R102 PolarHBondContact OD2-NE 3.33Å; D36-R102 IonicContact OD2-NH2 2.72Å; D36-R102 PolarHBondContact OD2-NH2 3.17Å; R102-K104 PolarHBondContact O-N 2.88Å
103D94.8Very high97.3Very high134 Ų13428.9 Ų28.972%0.71713%0.133SC*.THydrogen-bonded Turntrans61.48.6-177.5-52.7-50.8000115.3Y101Y101-D103 VanDerWaalsContact C-N 3.33Å; Y101-D103 PolarHBondContact O-N 3.19Å
104K96.1Very high97.3Very high57 Ų5729.9 Ų29.925%0.24814%0.138CC..EExtended strand (participates in β ladder)trans-104.6115176.2-57.2-172-177.8-141.50110.3L100 Y101 R102 F106 I151 E163L100-K104 VanDerWaalsContact CA-O 3.3Å; L100-K104 WeakPolarHBondContact CA-O 3.14Å; Y101-K104 PolarHBondContact N-O 2.84Å; Y101-K104 WeakPolarHBondContact O-CB 3.36Å; Y101-K104 PolarHBondContact O-N 3.23Å; R102-K104 PolarHBondContact O-N 2.88Å; K104-F106 PolarHBondContact O-N 3.41Å; K104-I151 HydrophobicContact CB-CB 3.99Å; K104-I151 HydrophobicContact CB-CD1 4.31Å; K104-I151 HydrophobicContact CB-CG2 3.68Å; K104-I151 HydrophobicContact CD-CB 4.36Å; K104-E163 WeakPolarHBondContact CD-OE1 3.49Å; K104-E163 VanDerWaalsContact CE-OE1 3.28Å; K104-E163 WeakPolarHBondContact CE-OE1 3.43Å; K104-E163 IonicContact NZ-OE1 3.74Å; K104-E163 PolarHBondContact NZ-OE1 2.89Å; K104-E163 IonicContact NZ-OE2 2.85Å; K104-E163 PolarHBondContact NZ-OE2 3.4Å
105E97Very high97.3Very high6 Ų628.1 Ų28.13%0.02813%0.127CC..EExtended strand (participates in β ladder)trans-65.1125173.2-172.9-178.1172.200110.3Q98 L100 R108 F149 I151Q98-E105 HydrophobicContact CB-CG 4.48Å; L100-E105 HydrophobicContact CD2-CB 4.31Å; L100-E105 HydrophobicContact CG-CB 4.11Å; E105-R108 WeakPolarHBondContact OE1-CB 3.33Å; E105-R108 WeakPolarHBondContact OE1-CG 3.44Å; E105-R108 IonicContact OE1-CZ 3.48Å; E105-R108 IonicContact OE1-NE 2.72Å; E105-R108 PolarHBondContact OE1-NE 2.76Å; E105-R108 IonicContact OE1-NH2 2.6Å; E105-R108 PolarHBondContact OE1-NH2 2.85Å; E105-R108 IonicContact OE2-CZ 3.57Å; E105-R108 IonicContact OE2-NE 3.61Å; E105-R108 IonicContact OE2-NH2 3.4Å; E105-R108 PolarHBondContact OE2-NH2 3.23Å; E105-F149 HydrophobicContact CG-CD2 4.01Å; E105-F149 HydrophobicContact CG-CE2 4.08Å; E105-F149 VanDerWaalsContact O-CB 3.31Å; E105-F149 WeakPolarHBondContact O-CB 3.24Å; E105-F149 WeakPolarHBondContact OE1-CE2 3.33Å; E105-I151 VanDerWaalsContact O-CG2 3.29Å; E105-I151 WeakPolarHBondContact O-CG2 3.38Å
106F96.4Very high97.3Very high5 Ų530.8 Ų30.82%0.02214%0.14CC..EExtended strand (participates in β ladder)trans-113-19.5178.269.4-84.6000113.1V4 L38 A99 K104 R148 F149 I151 W153V4-F106 HydrophobicContact CB-CE2 3.85Å; V4-F106 HydrophobicContact CB-CZ 3.95Å; V4-F106 HydrophobicContact CG1-CE2 4.05Å; V4-F106 HydrophobicContact CG1-CZ 3.96Å; L38-F106 HydrophobicContact CD2-CE1 3.88Å; L38-F106 HydrophobicContact CD2-CZ 4.23Å; A99-F106 VanDerWaalsContact C-CE1 3.49Å; A99-F106 HydrophobicContact CB-CD1 4.46Å; A99-F106 HydrophobicContact CB-CE1 3.58Å; A99-F106 HydrophobicContact CB-CE2 4.49Å; A99-F106 HydrophobicContact CB-CZ 3.61Å; A99-F106 WeakPolarHBondContact O-CD1 3.29Å; A99-F106 WeakPolarHBondContact O-CE1 3.29Å; A99-F106 PolarHBondContact O-N 2.93Å; K104-F106 PolarHBondContact O-N 3.41Å; F106-R148 WeakPolarHBondContact O-CA 3.32Å; F106-F149 WeakPolarHBondContact CA-O 3.44Å; F106-F149 PolarHBondContact O-N 3.37Å; F106-I151 HydrophobicContact CB-CB 4.49Å; F106-I151 HydrophobicContact CB-CD1 3.74Å; F106-I151 HydrophobicContact CB-CG1 3.8Å; F106-I151 HydrophobicContact CB-CG2 3.89Å; F106-I151 HydrophobicContact CD1-CD1 4.25Å; F106-I151 HydrophobicContact CG-CD1 4.29Å; F106-W153 HydrophobicContact CB-CH2 4.49Å; F106-W153 HydrophobicContact CB-CZ2 4.19Å; F106-W153 HydrophobicContact CD1-CH2 4.13Å; F106-W153 AromaticContact CD2-CH2 3.87Å; F106-W153 HydrophobicContact CD2-CH2 3.87Å; F106-W153 HydrophobicContact CD2-CZ2 4.03Å; F106-W153 HydrophobicContact CE1-CH2 4.34Å; F106-W153 HydrophobicContact CE2-CH2 4.08Å; F106-W153 AromaticContact CG-CH2 3.9Å; F106-W153 HydrophobicContact CG-CH2 3.9Å; F106-W153 HydrophobicContact CG-CZ2 4.04Å; F106-W153 HydrophobicContact CZ-CH2 4.31Å
107I97.3Very high97.3Very high2 Ų230.1 Ų30.11%0.0114%0.136CC..EExtended strand (participates in β ladder)trans-150.8138.8176.1-167.9162.3000111.5I6 A99 V146 T147 R148I6-I107 HydrophobicContact CB-CD1 4.08Å; I6-I107 HydrophobicContact CD1-CD1 3.91Å; I6-I107 HydrophobicContact CD1-CG1 4.13Å; I6-I107 HydrophobicContact CD1-CG2 3.68Å; I6-I107 HydrophobicContact CG1-CD1 4Å; I6-I107 HydrophobicContact CG1-CG2 4.19Å; A99-I107 HydrophobicContact CB-CG2 3.69Å; A99-I107 PolarHBondContact N-O 3.17Å; I107-V146 HydrophobicContact CD1-CG1 3.97Å; I107-V146 HydrophobicContact CG1-CG1 4.09Å; I107-T147 WeakPolarHBondContact CA-O 3.3Å; I107-R148 HydrophobicContact CD1-CG 4.09Å; I107-R148 HydrophobicContact CG1-CG 4.14Å
108R97.7Very high97.1Very high74 Ų7434.9 Ų34.928%0.27916%0.157SC..EExtended strand (participates in β ladder)trans-123.3132.7173.6-161.7174-73.6-165-1.6109.6L96 I97 Q98 E105 V146 T147 F149L96-R108 HydrophobicContact CB-CG 4.44Å; L96-R108 HydrophobicContact CD2-CG 4.26Å; I97-R108 CarbonylContact O-C 3.56Å; I97-R108 WeakPolarHBondContact O-CA 3.36Å; Q98-R108 HydrophobicContact CG-CG 4.18Å; E105-R108 WeakPolarHBondContact OE1-CB 3.33Å; E105-R108 WeakPolarHBondContact OE1-CG 3.44Å; E105-R108 IonicContact OE1-CZ 3.48Å; E105-R108 IonicContact OE1-NE 2.72Å; E105-R108 PolarHBondContact OE1-NE 2.76Å; E105-R108 IonicContact OE1-NH2 2.6Å; E105-R108 PolarHBondContact OE1-NH2 2.85Å; E105-R108 IonicContact OE2-CZ 3.57Å; E105-R108 IonicContact OE2-NE 3.61Å; E105-R108 IonicContact OE2-NH2 3.4Å; E105-R108 PolarHBondContact OE2-NH2 3.23Å; R108-V146 CarbonylContact O-C 3.45Å; R108-V146 WeakPolarHBondContact O-CA 3.45Å; R108-T147 PolarHBondContact N-O 2.85Å; R108-T147 PolarHBondContact O-N 2.6Å; R108-F149 HydrophobicContact CB-CE2 4.18Å
109V98.1Very high97Very high4 Ų436.5 Ų36.52%0.02417%0.168CC..EExtended strand (participates in β ladder)trans-119.1111.3170.1-173.70000108.3I6 I97 Y111 P144 V146I6-V109 HydrophobicContact CD1-CG2 3.79Å; I97-V109 HydrophobicContact CB-CB 4.42Å; I97-V109 PolarHBondContact N-O 2.87Å; I97-V109 PolarHBondContact O-N 2.85Å; V109-Y111 HydrophobicContact CG1-CD2 4.37Å; V109-Y111 HydrophobicContact CG1-CE2 3.73Å; V109-P144 HydrophobicContact CG1-CB 4.01Å; V109-V146 HydrophobicContact CG1-CG2 4.33Å; V109-V146 HydrophobicContact CG2-CG2 4.3Å
110G98.2Very high96.9Very high6 Ų642.6 Ų42.66%0.06220%0.197CC..EExtended strand (participates in β ladder)trans-100.4138.1176.700000112.3V95 R145V95-G110 CarbonylContact O-C 3.56Å; V95-G110 WeakPolarHBondContact O-CA 3.24Å; G110-R145 PolarHBondContact N-O 2.83Å; G110-R145 PolarHBondContact O-N 2.89Å
111Y98.4Very high96.8Very high5 Ų549.8 Ų49.82%0.0223%0.23CC..EExtended strand (participates in β ladder)trans-120.3138169.5-70.9-83.8000110.1V9 V11 F24 V94 V95 I97 V109 I139 I140 P144V9-Y111 WeakPolarHBondContact CB-OH 3.44Å; V9-Y111 HydrophobicContact CG1-CE2 4.02Å; V9-Y111 PolarHBondContact O-OH 3.46Å; V9-Y111 VanDerWaalsContact O-OH 3.13Å; V11-Y111 HydrophobicContact CG2-CD1 4.47Å; V11-Y111 HydrophobicContact CG2-CE1 4.1Å; V11-Y111 HydrophobicContact CG2-CE2 4.42Å; F24-Y111 HydrophobicContact CE1-CD2 4.24Å; F24-Y111 HydrophobicContact CE1-CE2 4.32Å; V94-Y111 CarbonylContact C-O 3.55Å; V94-Y111 VanDerWaalsContact CA-O 3.28Å; V94-Y111 WeakPolarHBondContact CA-O 3.03Å; V94-Y111 WeakPolarHBondContact CG1-O 2.91Å; V95-Y111 PolarHBondContact N-O 2.85Å; V95-Y111 PolarHBondContact O-N 2.82Å; I97-Y111 HydrophobicContact CD1-CE2 4.42Å; V109-Y111 HydrophobicContact CG1-CD2 4.37Å; V109-Y111 HydrophobicContact CG1-CE2 3.73Å; Y111-I139 HydrophobicContact CD1-CG2 4.17Å; Y111-I139 HydrophobicContact CG-CG2 3.97Å; Y111-I140 WeakPolarHBondContact CD1-O 3.35Å; Y111-P144 HydrophobicContact CD1-CB 4.21Å; Y111-P144 HydrophobicContact CE1-CB 3.61Å; Y111-P144 HydrophobicContact CE1-CG 4.28Å
112Y98Very high96.7Very high104 Ų10451.6 Ų51.641%0.40824%0.24SC..EExtended strand (participates in β ladder)trans-70.1138.2165.5-70.7-69.8000110.1V92 T93 V94 I140V92-Y112 HydrophobicContact CG1-CD1 3.78Å; V92-Y112 HydrophobicContact CG1-CG 4.42Å; T93-Y112 CarbonylContact O-C 3.52Å; T93-Y112 WeakPolarHBondContact O-CA 3.42Å; V94-Y112 HydrophobicContact CG2-CD1 3.79Å; V94-Y112 HydrophobicContact CG2-CE1 3.87Å; Y112-I140 PolarHBondContact O-N 2.74Å
113V98Very high96.7Very high0 Ų053 Ų530%025%0.245CC..EExtended strand (participates in β ladder)trans-122.3121178.8-1760000107.2V92 T93 V95 R137 I139V92-V113 CarbonylContact C-O 3.54Å; V92-V113 WeakPolarHBondContact CA-O 3.34Å; T93-V113 HydrophobicContact CG2-CB 4.05Å; T93-V113 PolarHBondContact N-O 2.88Å; T93-V113 PolarHBondContact O-N 3.4Å; V95-V113 HydrophobicContact CB-CG2 3.87Å; V95-V113 HydrophobicContact CG1-CG2 3.59Å; V113-R137 HydrophobicContact CG1-CG 3.32Å; V113-I139 HydrophobicContact CG1-CG1 4.48Å; V113-I139 HydrophobicContact CG2-CG1 4.23Å
114N97.5Very high96.8Very high37 Ų3752.7 Ų52.720%0.19824%0.243CC..EExtended strand (participates in β ladder)trans-103.2116.8174.3-171.642.5000109.2G91 V92 H138G91-N114 WeakPolarHBondContact O-CA 3.39Å; G91-N114 PolarHBondContact O-OD1 2.82Å; V92-N114 HydrophobicContact CG2-CB 4.46Å; N114-H138 PolarHBondContact N-O 2.96Å; N114-H138 PolarHBondContact O-N 2.82Å
115N97.7Very high96.7Very high1 Ų157.9 Ų57.91%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-97.1109.5171.7-61.5-36.3000108.2Y44 I89 G91 R137Y44-N115 PolarHBondContact OH-ND2 3.37Å; I89-N115 VanDerWaalsContact O-CB 3.28Å; I89-N115 WeakPolarHBondContact O-CB 3.38Å; I89-N115 PolarHBondContact O-ND2 3.22Å; I89-N115 VanDerWaalsContact O-ND2 3.13Å; G91-N115 PolarHBondContact N-O 3.16Å; G91-N115 PolarHBondContact O-N 2.72Å; N115-R137 WeakPolarHBondContact OD1-CG 3.34Å
116E97Very high96.5Very high57 Ų5761.5 Ų61.527%0.26629%0.292SS..EExtended strand (participates in β ladder)trans-127.8156.1179.968.1179141.900112R123 L135 E136E116-R123 IonicContact OE2-NH1 3.56Å; E116-L135 CarbonylContact O-C 3.59Å; E116-L135 WeakPolarHBondContact O-CA 3.33Å; E116-E136 PolarHBondContact N-O 2.87Å; E116-E136 PolarHBondContact O-N 3.34Å
117Y97.8Very high96.4Very high6 Ų663.4 Ų63.42%0.02431%0.305CS..EExtended strand (participates in β ladder)trans-71.2139174.1-66.3-66.8000111.4V90 T119 L122 R123 P126 P130 L131 E134 L135V90-Y117 HydrophobicContact CG1-CE2 4.17Å; V90-Y117 HydrophobicContact CG2-CE2 4.18Å; Y117-T119 VanDerWaalsContact C-N 3.28Å; Y117-T119 PolarHBondContact O-N 3.06Å; Y117-L122 HydrophobicContact CD1-CB 4.09Å; Y117-L122 HydrophobicContact CD1-CD1 4.04Å; Y117-L122 HydrophobicContact CD2-CB 3.85Å; Y117-L122 WeakPolarHBondContact CD2-O 3.27Å; Y117-L122 HydrophobicContact CG-CB 3.58Å; Y117-L122 HydrophobicContact CG-CD1 4.33Å; Y117-R123 VanDerWaalsContact O-CD 3.3Å; Y117-R123 WeakPolarHBondContact O-CD 3.28Å; Y117-R123 WeakPolarHBondContact O-CG 3.38Å; Y117-P126 HydrophobicContact CE2-CB 3.87Å; Y117-P130 WeakPolarHBondContact OH-CA 3.19Å; Y117-L131 HydrophobicContact CE1-CB 4.22Å; Y117-E134 WeakPolarHBondContact CA-O 3.45Å; Y117-E134 HydrophobicContact CD1-CB 3.91Å; Y117-E134 HydrophobicContact CE1-CB 4.42Å; Y117-L135 HydrophobicContact CD1-CD2 3.53Å; Y117-L135 HydrophobicContact CD1-CG 4.31Å; Y117-L135 HydrophobicContact CE1-CD2 3.53Å; Y117-L135 HydrophobicContact CE1-CG 4.15Å; Y117-L135 HydrophobicContact CG-CD2 4.05Å
118K95.3Very high96.2Very high100 Ų10068.4 Ų68.444%0.43535%0.346SS..SBendtrans-61.7-33178.7-68.9164.1-175164.50113.2N133 E134 L135 E136K118-N133 PolarHBondContact NZ-O 3.2Å; K118-E134 WeakPolarHBondContact CG-O 3.43Å; K118-E134 PolarHBondContact N-O 3.13Å; K118-L135 WeakPolarHBondContact CE-O 3.33Å; K118-E136 HydrophobicContact CG-CB 3.86Å
119T95.2Very high96Very high59 Ų5972.1 Ų72.136%0.36237%0.367SS..SBendtrans-100.4144.9-176.762.60000111.8Y117 E121 L122 R123Y117-T119 VanDerWaalsContact C-N 3.28Å; Y117-T119 PolarHBondContact O-N 3.06Å; T119-E121 VanDerWaalsContact C-N 3.32Å; T119-E121 PolarHBondContact O-N 2.96Å; T119-L122 WeakPolarHBondContact OG1-CD1 3.48Å; T119-L122 WeakPolarHBondContact OG1-CG 3.45Å; T119-R123 WeakPolarHBondContact O-CG 3.45Å; T119-R123 PolarHBondContact O-N 2.99Å
120E95.3Very high95.9Very high129 Ų12973.1 Ų73.160%0.60337%0.374SS*.Hα-helixtrans-63.2-37.8177.8-172.4174.4-172.800112.7L122 R123 L124E120-L122 PolarHBondContact O-N 2.81Å; E120-R123 PolarHBondContact O-N 2.8Å; E120-R123 VanDerWaalsContact O-N 3.12Å; E120-L124 HydrophobicContact CG-CD1 4.07Å; E120-L124 HydrophobicContact CG-CG 4.37Å; E120-L124 WeakPolarHBondContact O-CG 3.28Å; E120-L124 PolarHBondContact O-N 3.24Å
121E95.6Very high95.7Very high162 Ų16277 Ų7776%0.75739%0.392SS*.Hα-helixtrans-57.1-48.6178.8-64.4172.2-176.700111.8T119 R123 L124 E125T119-E121 VanDerWaalsContact C-N 3.32Å; T119-E121 PolarHBondContact O-N 2.96Å; E121-R123 VanDerWaalsContact C-N 3.3Å; E121-R123 PolarHBondContact O-N 2.9Å; E121-L124 PolarHBondContact O-N 2.91Å; E121-E125 PolarHBondContact O-N 2.81Å
122L95.5Very high95.6Very high38 Ų3878.4 Ų78.420%0.19940%0.4CS..Hα-helixtrans-70-24.7178.1-68.6175.8000113.1Y117 T119 E120 E125 P126 L131 E134Y117-L122 HydrophobicContact CD1-CB 4.09Å; Y117-L122 HydrophobicContact CD1-CD1 4.04Å; Y117-L122 HydrophobicContact CD2-CB 3.85Å; Y117-L122 WeakPolarHBondContact CD2-O 3.27Å; Y117-L122 HydrophobicContact CG-CB 3.58Å; Y117-L122 HydrophobicContact CG-CD1 4.33Å; T119-L122 WeakPolarHBondContact OG1-CD1 3.48Å; T119-L122 WeakPolarHBondContact OG1-CG 3.45Å; E120-L122 PolarHBondContact O-N 2.81Å; L122-E125 CarbonylContact O-C 3.55Å; L122-P126 WeakPolarHBondContact O-CA 3.35Å; L122-L131 HydrophobicContact CD2-CD1 4.28Å; L122-E134 HydrophobicContact CD1-CB 3.76Å; L122-E134 HydrophobicContact CD1-CG 3.88Å
123R94.4Very high95.5Very high126 Ų12679.1 Ų79.148%0.47541%0.411SS..Hα-helixtrans-74.6-35.8174.2-69.9-175.4-64.71675.7112.3E116 Y117 T119 E120 E121E116-R123 IonicContact OE2-NH1 3.56Å; Y117-R123 VanDerWaalsContact O-CD 3.3Å; Y117-R123 WeakPolarHBondContact O-CD 3.28Å; Y117-R123 WeakPolarHBondContact O-CG 3.38Å; T119-R123 WeakPolarHBondContact O-CG 3.45Å; T119-R123 PolarHBondContact O-N 2.99Å; E120-R123 PolarHBondContact O-N 2.8Å; E120-R123 VanDerWaalsContact O-N 3.12Å; E121-R123 VanDerWaalsContact C-N 3.3Å; E121-R123 PolarHBondContact O-N 2.9Å
124L95.5Very high95.5Very high128 Ų12882.9 Ų82.967%0.6743%0.428SS*.Hα-helixtrans-78.7-37178.8-67.3175.5000112E120 E121E120-L124 HydrophobicContact CG-CD1 4.07Å; E120-L124 HydrophobicContact CG-CG 4.37Å; E120-L124 WeakPolarHBondContact O-CG 3.28Å; E120-L124 PolarHBondContact O-N 3.24Å; E121-L124 PolarHBondContact O-N 2.91Å
125E94.7Very high95.5Very high166 Ų16681.1 Ų81.178%0.77642%0.419SS*.SBendtrans-128.275.5179.6-65.8-176.9-174.500109.9E121 L122E121-E125 PolarHBondContact O-N 2.81Å; L122-E125 CarbonylContact O-C 3.55Å
126P93.5Very high95.5Very high82 Ų8284.3 Ų84.353%0.53243%0.434SS..  trans-65.3138.5-179.827.2-34.7000110.9Y117 L122Y117-P126 HydrophobicContact CE2-CB 3.87Å; L122-P126 WeakPolarHBondContact O-CA 3.35Å
127P94.3Very high95.5Very high45 Ų4581.8 Ų81.829%0.29242%0.422SS..  trans-66.1155.9175.927.9-33.2000111.1E129 L131P127-E129 VanDerWaalsContact C-N 3.27Å; P127-E129 WeakPolarHBondContact CG-O 3.43Å; P127-E129 PolarHBondContact O-N 3.03Å; P127-L131 HydrophobicContact CG-CD1 4.04Å; P127-L131 HydrophobicContact CG-CG 3.87Å
128A92.3Very high95.5Very high107 Ų10785.1 Ų85.188%0.88444%0.438SS*.SBendtrans-63.6-32.9177.900000112.9
129E93.9Very high95.6Very high153 Ų15380.7 Ų80.772%0.71542%0.418SS*.SBendtrans-108126.8171.5-69.9-173.4175.600109.7P127 L131P127-E129 VanDerWaalsContact C-N 3.27Å; P127-E129 WeakPolarHBondContact CG-O 3.43Å; P127-E129 PolarHBondContact O-N 3.03Å; E129-L131 PolarHBondContact O-N 3.04Å
130P94.9Very high95.7Very high25 Ų2580.8 Ų80.816%0.16242%0.416CS..  trans-61.7124.3-178.1-27.936.5000114.2N86 I89 V90 Y117 L132N86-P130 WeakPolarHBondContact O-CG 3.28Å; I89-P130 HydrophobicContact CB-CB 4.22Å; I89-P130 HydrophobicContact CB-CG 4.1Å; I89-P130 HydrophobicContact CD1-CB 4.35Å; I89-P130 HydrophobicContact CD1-CG 4.17Å; I89-P130 HydrophobicContact CG2-CB 3.76Å; I89-P130 HydrophobicContact CG2-CG 4.21Å; V90-P130 HydrophobicContact CG2-CB 4.08Å; V90-P130 HydrophobicContact CG2-CG 4.32Å; Y117-P130 WeakPolarHBondContact OH-CA 3.19Å; P130-L132 PolarHBondContact O-N 2.92Å; P130-L132 VanDerWaalsContact O-N 3.17Å
131L95.6Very high95.7Very high86 Ų8676.7 Ų76.745%0.4541%0.405SS..  trans-82.187.6172.8-59.9175.8000111.2Y117 L122 P127 E129 N133 E134Y117-L131 HydrophobicContact CE1-CB 4.22Å; L122-L131 HydrophobicContact CD2-CD1 4.28Å; P127-L131 HydrophobicContact CG-CD1 4.04Å; P127-L131 HydrophobicContact CG-CG 3.87Å; E129-L131 PolarHBondContact O-N 3.04Å; L131-N133 VanDerWaalsContact C-N 3.27Å; L131-N133 PolarHBondContact O-N 3.4Å; L131-N133 VanDerWaalsContact O-N 3.14Å; L131-E134 HydrophobicContact CB-CB 4.22Å; L131-E134 HydrophobicContact CB-CG 4.1Å; L131-E134 HydrophobicContact CD1-CG 4.5Å; L131-E134 PolarHBondContact O-N 2.99Å
132L95.8Very high95.7Very high36 Ų3674.2 Ų74.219%0.18841%0.405CS..G310 helixtrans-55.2-34.8-173.2-60.7173.2000115F18 F19 P81 I89 P130 E134 L135F18-L132 HydrophobicContact CD1-CD2 4.3Å; F18-L132 HydrophobicContact CE1-CD2 4.2Å; F18-L132 HydrophobicContact CZ-CD2 4.44Å; F19-L132 HydrophobicContact CE1-CD1 4.32Å; F19-L132 HydrophobicContact CE2-CB 3.64Å; F19-L132 HydrophobicContact CZ-CB 3.51Å; F19-L132 HydrophobicContact CZ-CD1 3.7Å; F19-L132 HydrophobicContact CZ-CG 4.23Å; P81-L132 HydrophobicContact CB-CD1 3.45Å; P81-L132 VanDerWaalsContact CB-CD1 3.45Å; P81-L132 HydrophobicContact CB-CD2 4.13Å; P81-L132 HydrophobicContact CB-CG 4.46Å; P81-L132 HydrophobicContact CG-CD1 3.58Å; I89-L132 HydrophobicContact CD1-CD2 4.36Å; I89-L132 HydrophobicContact CG2-CD2 3.57Å; P130-L132 PolarHBondContact O-N 2.92Å; P130-L132 VanDerWaalsContact O-N 3.17Å; L132-E134 PolarHBondContact O-N 2.75Å; L132-L135 HydrophobicContact CD2-CD1 4.04Å; L132-L135 WeakPolarHBondContact O-CB 3.3Å; L132-L135 PolarHBondContact O-N 2.95Å
133N96.4Very high95.7Very high118 Ų11875.7 Ų75.763%0.63141%0.413SS*.G310 helixtrans-68.6-23.4179.9-65.4-37.7000113.1F19 K118 L131 L135F19-N133 VanDerWaalsContact CE2-OD1 3.31Å; F19-N133 WeakPolarHBondContact CE2-OD1 3.45Å; K118-N133 PolarHBondContact NZ-O 3.2Å; L131-N133 VanDerWaalsContact C-N 3.27Å; L131-N133 PolarHBondContact O-N 3.4Å; L131-N133 VanDerWaalsContact O-N 3.14Å; N133-L135 VanDerWaalsContact C-N 3.33Å
134E96.8Very high95.8Very high79 Ų7972 Ų7237%0.36941%0.406SS..G310 helixtrans-89.5-3.3179-60.1-56.2147.700112.4Y117 K118 L122 L131 L132Y117-E134 WeakPolarHBondContact CA-O 3.45Å; Y117-E134 HydrophobicContact CD1-CB 3.91Å; Y117-E134 HydrophobicContact CE1-CB 4.42Å; K118-E134 WeakPolarHBondContact CG-O 3.43Å; K118-E134 PolarHBondContact N-O 3.13Å; L122-E134 HydrophobicContact CD1-CB 3.76Å; L122-E134 HydrophobicContact CD1-CG 3.88Å; L131-E134 HydrophobicContact CB-CB 4.22Å; L131-E134 HydrophobicContact CB-CG 4.1Å; L131-E134 HydrophobicContact CD1-CG 4.5Å; L131-E134 PolarHBondContact O-N 2.99Å; L132-E134 PolarHBondContact O-N 2.75Å
135L97.5Very high95.9Very high0 Ų072.4 Ų72.40%040%0.398CS..EExtended strand (participates in β ladder)trans-83.2140177.1-64.2176.9000111.8F18 I89 V90 E116 Y117 K118 L132 N133F18-L135 HydrophobicContact CB-CB 4.05Å; F18-L135 HydrophobicContact CD2-CD1 4.22Å; I89-L135 HydrophobicContact CG2-CD1 3.69Å; V90-L135 HydrophobicContact CG1-CD2 4.47Å; V90-L135 HydrophobicContact CG2-CD1 4.37Å; V90-L135 HydrophobicContact CG2-CD2 3.99Å; E116-L135 CarbonylContact O-C 3.59Å; E116-L135 WeakPolarHBondContact O-CA 3.33Å; Y117-L135 HydrophobicContact CD1-CD2 3.53Å; Y117-L135 HydrophobicContact CD1-CG 4.31Å; Y117-L135 HydrophobicContact CE1-CD2 3.53Å; Y117-L135 HydrophobicContact CE1-CG 4.15Å; Y117-L135 HydrophobicContact CG-CD2 4.05Å; K118-L135 WeakPolarHBondContact CE-O 3.33Å; L132-L135 HydrophobicContact CD2-CD1 4.04Å; L132-L135 WeakPolarHBondContact O-CB 3.3Å; L132-L135 PolarHBondContact O-N 2.95Å; N133-L135 VanDerWaalsContact C-N 3.33Å
136E97.5Very high96Very high68 Ų6867.6 Ų67.632%0.31838%0.38SS..EExtended strand (participates in β ladder)trans-115.5129.6166.9-175169.2-81.400108.3P15 E116 K118P15-E136 HydrophobicContact CB-CG 3.8Å; E116-E136 PolarHBondContact N-O 2.87Å; E116-E136 PolarHBondContact O-N 3.34Å; K118-E136 HydrophobicContact CG-CB 3.86Å
137R97.8Very high96.1Very high5 Ų566.9 Ų66.92%0.01938%0.375CS..EExtended strand (participates in β ladder)trans-96.1121.4178.5-177.2179.868.3-137.51.6108.8P15 A16 F18 D20 P21 F22 V113 N115P15-R137 WeakPolarHBondContact CA-O 3.15Å; A16-R137 PolarHBondContact N-O 3.47Å; A16-R137 PolarHBondContact O-N 2.84Å; F18-R137 PolarHBondContact O-NH1 3.45Å; F18-R137 VanDerWaalsContact O-NH1 3.11Å; D20-R137 VanDerWaalsContact O-CZ 3.31Å; D20-R137 PolarHBondContact O-NH1 3Å; D20-R137 PolarHBondContact O-NH2 2.9Å; P21-R137 PolarHBondContact O-NH2 2.79Å; F22-R137 VanDerWaalsContact CE2-NH1 3.32Å; V113-R137 HydrophobicContact CG1-CG 3.32Å; N115-R137 WeakPolarHBondContact OD1-CG 3.34Å
138H97.7Very high96.2Very high76 Ų7671.8 Ų71.835%0.35239%0.387SS..EExtended strand (participates in β ladder)trans-118.9113.3175.9-176.7-153.7000110.8P15 N114P15-H138 HydrophobicContact CB-CB 4.44Å; N114-H138 PolarHBondContact N-O 2.96Å; N114-H138 PolarHBondContact O-N 2.82Å
139I98.2Very high96.3Very high6 Ų669.5 Ų69.53%0.03136%0.358CS..EExtended strand (participates in β ladder)trans-86.3125.1175.7-54.5179.4000108.7V11 N14 F22 F24 Y111 V113 A141V11-I139 HydrophobicContact CG1-CB 4.04Å; V11-I139 HydrophobicContact CG1-CD1 3.74Å; V11-I139 HydrophobicContact CG1-CG1 4.4Å; V11-I139 HydrophobicContact CG1-CG2 4.12Å; V11-I139 HydrophobicContact CG2-CG2 4.12Å; N14-I139 PolarHBondContact ND2-O 2.72Å; N14-I139 PolarHBondContact OD1-N 2.86Å; F22-I139 HydrophobicContact CD1-CD1 3.66Å; F22-I139 HydrophobicContact CE1-CD1 3.76Å; F22-I139 HydrophobicContact CE1-CG1 4.45Å; F24-I139 HydrophobicContact CZ-CD1 4.27Å; Y111-I139 HydrophobicContact CD1-CG2 4.17Å; Y111-I139 HydrophobicContact CG-CG2 3.97Å; V113-I139 HydrophobicContact CG1-CG1 4.48Å; V113-I139 HydrophobicContact CG2-CG1 4.23Å; I139-A141 VanDerWaalsContact C-N 3.26Å; I139-A141 PolarHBondContact O-N 2.93Å
140I97Very high96.3Very high61 Ų6166.7 Ų66.731%0.31335%0.352SS..  trans-78.878.8178.5-56.2176000108.9Y111 Y112 S142Y111-I140 WeakPolarHBondContact CD1-O 3.35Å; Y112-I140 PolarHBondContact O-N 2.74Å; I140-S142 PolarHBondContact O-N 2.79Å
141A95.6Very high96.2Very high44 Ų4465.9 Ų65.936%0.36435%0.347SS..THydrogen-bonded Turntrans-68-16.6-173.100000114.6V11 I139V11-A141 HydrophobicContact CB-CB 3.99Å; V11-A141 HydrophobicContact CG2-CB 3.62Å; I139-A141 VanDerWaalsContact C-N 3.26Å; I139-A141 PolarHBondContact O-N 2.93Å
142S95.3Very high96Very high110 Ų11064.1 Ų64.177%0.76934%0.337SS*.THydrogen-bonded Turntrans-78.9-18.1-175.252.50000114.7I140I140-S142 PolarHBondContact O-N 2.79Å
143D94.3Very high95.8Very high68 Ų6862.9 Ų62.936%0.36433%0.33SS..SBendtrans-133.663.1-173.3-172.637000112.2R145D143-R145 IonicContact OD1-CZ 3.56Å; D143-R145 IonicContact OD1-NE 3.85Å; D143-R145 IonicContact OD1-NH2 3.05Å; D143-R145 PolarHBondContact OD1-NH2 3.1Å; D143-R145 IonicContact OD2-CZ 3.49Å; D143-R145 IonicContact OD2-NE 3.61Å; D143-R145 IonicContact OD2-NH2 2.66Å; D143-R145 PolarHBondContact OD2-NH2 2.79Å
144P96.8Very high95.3Very high50 Ų5059.2 Ų59.233%0.32532%0.321SS..  trans-65.8140176.226.4-32.8000111.6V109 Y111V109-P144 HydrophobicContact CG1-CB 4.01Å; Y111-P144 HydrophobicContact CD1-CB 4.21Å; Y111-P144 HydrophobicContact CE1-CB 3.61Å; Y111-P144 HydrophobicContact CE1-CG 4.28Å
145R97.3Very high94.6Very high135 Ų13558.7 Ų58.751%0.50932%0.32SS..EExtended strand (participates in β ladder)trans-98.2104.9173.6-61.4-68.3156.8-178.6-2.3109.5G110 D143G110-R145 PolarHBondContact N-O 2.83Å; G110-R145 PolarHBondContact O-N 2.89Å; D143-R145 IonicContact OD1-CZ 3.56Å; D143-R145 IonicContact OD1-NE 3.85Å; D143-R145 IonicContact OD1-NH2 3.05Å; D143-R145 PolarHBondContact OD1-NH2 3.1Å; D143-R145 IonicContact OD2-CZ 3.49Å; D143-R145 IonicContact OD2-NE 3.61Å; D143-R145 IonicContact OD2-NH2 2.66Å; D143-R145 PolarHBondContact OD2-NH2 2.79Å
146V97.2Very high93.5Very high65 Ų6560.5 Ų60.539%0.39434%0.339SS..EExtended strand (participates in β ladder)trans-100119.3-178.5-174.80000110.4I107 R108 V109I107-V146 HydrophobicContact CD1-CG1 3.97Å; I107-V146 HydrophobicContact CG1-CG1 4.09Å; R108-V146 CarbonylContact O-C 3.45Å; R108-V146 WeakPolarHBondContact O-CA 3.45Å; V109-V146 HydrophobicContact CG1-CG2 4.33Å; V109-V146 HydrophobicContact CG2-CG2 4.3Å
147T96.9Very high92.3Very high68 Ų6863.5 Ų63.542%0.41736%0.356SS..EExtended strand (participates in β ladder)trans-113.8137.1173.4-53.40000109.1I107 R108 F149I107-T147 WeakPolarHBondContact CA-O 3.3Å; R108-T147 PolarHBondContact N-O 2.85Å; R108-T147 PolarHBondContact O-N 2.6Å; T147-F149 HydrophobicContact CG2-CE1 3.86Å; T147-F149 HydrophobicContact CG2-CE2 4.05Å; T147-F149 HydrophobicContact CG2-CZ 3.55Å
148R96.1Very high91Very high147 Ų14766.3 Ų66.356%0.55537%0.371SS*.EExtended strand (participates in β ladder)trans-120.5138.2179-67.5-179.8177.581.60.3109.5N5 F106 I107N5-R148 PolarHBondContact OD1-NH2 2.99Å; F106-R148 WeakPolarHBondContact O-CA 3.32Å; I107-R148 HydrophobicContact CD1-CG 4.09Å; I107-R148 HydrophobicContact CG1-CG 4.14Å
149F94.8Very high89.2Confident60 Ų6069.1 Ų69.126%0.26339%0.389SS..  trans-118.7131.6178.5-52.2-82.2000109.1E105 F106 R108 T147 I151E105-F149 HydrophobicContact CG-CD2 4.01Å; E105-F149 HydrophobicContact CG-CE2 4.08Å; E105-F149 VanDerWaalsContact O-CB 3.31Å; E105-F149 WeakPolarHBondContact O-CB 3.24Å; E105-F149 WeakPolarHBondContact OE1-CE2 3.33Å; F106-F149 WeakPolarHBondContact CA-O 3.44Å; F106-F149 PolarHBondContact O-N 3.37Å; R108-F149 HydrophobicContact CB-CE2 4.18Å; T147-F149 HydrophobicContact CG2-CE1 3.86Å; T147-F149 HydrophobicContact CG2-CE2 4.05Å; T147-F149 HydrophobicContact CG2-CZ 3.55Å; F149-I151 PolarHBondContact O-N 3.49Å
150P93Very high87.3Confident93 Ų9372.6 Ų72.660%0.60443%0.426SS*.  trans-70.1128171.529.3-31.7000109.4L158P150-L158 HydrophobicContact CB-CD1 4.47Å
151I93.6Very high85.5Confident9 Ų974 Ų745%0.04644%0.441CS..  trans-127155.317668.2160.5000110.4Y101 K104 E105 F106 F149 W153 L158Y101-I151 HydrophobicContact CD1-CD1 4.16Å; Y101-I151 HydrophobicContact CG-CD1 4.48Å; K104-I151 HydrophobicContact CB-CB 3.99Å; K104-I151 HydrophobicContact CB-CD1 4.31Å; K104-I151 HydrophobicContact CB-CG2 3.68Å; K104-I151 HydrophobicContact CD-CB 4.36Å; E105-I151 VanDerWaalsContact O-CG2 3.29Å; E105-I151 WeakPolarHBondContact O-CG2 3.38Å; F106-I151 HydrophobicContact CB-CB 4.49Å; F106-I151 HydrophobicContact CB-CD1 3.74Å; F106-I151 HydrophobicContact CB-CG1 3.8Å; F106-I151 HydrophobicContact CB-CG2 3.89Å; F106-I151 HydrophobicContact CD1-CD1 4.25Å; F106-I151 HydrophobicContact CG-CD1 4.29Å; F149-I151 PolarHBondContact O-N 3.49Å; I151-W153 HydrophobicContact CD1-CD2 4.17Å; I151-W153 HydrophobicContact CD1-CE3 4.36Å; I151-W153 HydrophobicContact CD1-CH2 4.18Å; I151-W153 HydrophobicContact CD1-CZ2 3.95Å; I151-W153 HydrophobicContact CD1-CZ3 4.37Å; I151-W153 HydrophobicContact CG1-CD2 4.17Å; I151-W153 HydrophobicContact CG1-CG 4.47Å; I151-W153 HydrophobicContact CG1-CZ2 3.89Å; I151-W153 PolarHBondContact O-NE1 2.81Å; I151-L158 WeakPolarHBondContact O-CD1 3.39Å
152D91.6Very high83.8Confident48 Ų4877.9 Ų77.926%0.25746%0.462SS..  trans-75.7122.6169.9177.222000109.9G154 L158D152-G154 PolarHBondContact OD1-N 2.83Å; D152-L158 HydrophobicContact CB-CB 4.43Å
153W91.5Very high82Confident11 Ų1178.1 Ų78.14%0.04245%0.451CS..  trans-95.16.7-179.5-6385.8000112.9A2 K3 V4 L34 Y101 F106 I151A2-W153 HydrophobicContact CB-CZ2 3.81Å; K3-W153 HydrophobicContact CB-CD2 3.91Å; K3-W153 HydrophobicContact CB-CE3 3.65Å; K3-W153 HydrophobicContact CB-CH2 4.31Å; K3-W153 HydrophobicContact CB-CZ3 3.86Å; K3-W153 HydrophobicContact CD-CB 3.79Å; K3-W153 HydrophobicContact CD-CD2 4.06Å; K3-W153 HydrophobicContact CD-CE3 3.89Å; K3-W153 HydrophobicContact CD-CG 4.05Å; K3-W153 HydrophobicContact CG-CB 4.15Å; K3-W153 HydrophobicContact CG-CD2 3.77Å; K3-W153 HydrophobicContact CG-CE3 3.86Å; K3-W153 HydrophobicContact CG-CG 3.91Å; K3-W153 PolarHBondContact NZ-O 2.95Å; V4-W153 HydrophobicContact CB-CH2 4.03Å; V4-W153 HydrophobicContact CB-CZ3 4.45Å; V4-W153 HydrophobicContact CG2-CH2 4.11Å; V4-W153 HydrophobicContact CG2-CZ3 4.03Å; L34-W153 HydrophobicContact CD2-CE3 3.95Å; L34-W153 HydrophobicContact CD2-CZ3 3.96Å; Y101-W153 HydrophobicContact CD1-CD2 4.39Å; Y101-W153 AromaticContact CD1-CE3 3.58Å; Y101-W153 HydrophobicContact CD1-CE3 3.58Å; Y101-W153 AromaticContact CD1-CZ3 3.97Å; Y101-W153 HydrophobicContact CD1-CZ3 3.97Å; Y101-W153 AromaticContact CE1-CE3 3.98Å; Y101-W153 HydrophobicContact CE1-CE3 3.98Å; Y101-W153 HydrophobicContact CG-CE3 4.15Å; Y101-W153 HydrophobicContact CG-CZ3 4.06Å; F106-W153 HydrophobicContact CB-CH2 4.49Å; F106-W153 HydrophobicContact CB-CZ2 4.19Å; F106-W153 HydrophobicContact CD1-CH2 4.13Å; F106-W153 AromaticContact CD2-CH2 3.87Å; F106-W153 HydrophobicContact CD2-CH2 3.87Å; F106-W153 HydrophobicContact CD2-CZ2 4.03Å; F106-W153 HydrophobicContact CE1-CH2 4.34Å; F106-W153 HydrophobicContact CE2-CH2 4.08Å; F106-W153 AromaticContact CG-CH2 3.9Å; F106-W153 HydrophobicContact CG-CH2 3.9Å; F106-W153 HydrophobicContact CG-CZ2 4.04Å; F106-W153 HydrophobicContact CZ-CH2 4.31Å; I151-W153 HydrophobicContact CD1-CD2 4.17Å; I151-W153 HydrophobicContact CD1-CE3 4.36Å; I151-W153 HydrophobicContact CD1-CH2 4.18Å; I151-W153 HydrophobicContact CD1-CZ2 3.95Å; I151-W153 HydrophobicContact CD1-CZ3 4.37Å; I151-W153 HydrophobicContact CG1-CD2 4.17Å; I151-W153 HydrophobicContact CG1-CG 4.47Å; I151-W153 HydrophobicContact CG1-CZ2 3.89Å; I151-W153 PolarHBondContact O-NE1 2.81Å
154G85.6Confident80.4Confident41 Ų4178.1 Ų78.142%0.42345%0.454SS..SBendtrans87.310.8179.200000115.4D152D152-G154 PolarHBondContact OD1-N 2.83Å
155D80.9Confident78.4Confident67 Ų6784.9 Ų84.936%0.35848%0.482SS..SBendtrans-94.4-2.8176.957.917.3000113.3L157D155-L157 VanDerWaalsContact C-N 3.27Å; D155-L157 HydrophobicContact CB-CG 4.29Å; D155-L157 PolarHBondContact O-N 2.95Å; D155-L157 VanDerWaalsContact OD1-CB 3.27Å; D155-L157 WeakPolarHBondContact OD1-CB 3.17Å; D155-L157 WeakPolarHBondContact OD1-CG 3.28Å; D155-L157 PolarHBondContact OD1-N 2.85Å; D155-L157 VanDerWaalsContact OD2-CD1 3.3Å; D155-L157 WeakPolarHBondContact OD2-CD1 3.46Å
156G74.8Confident76.4Confident38 Ų3882.9 Ų82.939%0.39248%0.478SS..SBendtrans74.510.6-178.800000114.1L158G156-L158 VanDerWaalsContact C-N 3.35Å
157L71.7Confident74.3Confident131 Ų13185.9 Ų85.969%0.68650%0.499SS*.THydrogen-bonded Turntrans-77.2-18.2-176.9-66.4179.8000114D155D155-L157 VanDerWaalsContact C-N 3.27Å; D155-L157 HydrophobicContact CB-CG 4.29Å; D155-L157 PolarHBondContact O-N 2.95Å; D155-L157 VanDerWaalsContact OD1-CB 3.27Å; D155-L157 WeakPolarHBondContact OD1-CB 3.17Å; D155-L157 WeakPolarHBondContact OD1-CG 3.28Å; D155-L157 PolarHBondContact OD1-N 2.85Å; D155-L157 VanDerWaalsContact OD2-CD1 3.3Å; D155-L157 WeakPolarHBondContact OD2-CD1 3.46Å
158L70.5Confident71.8Confident64 Ų6487.6 Ų87.634%0.33551%0.509SS..THydrogen-bonded Turntrans-105.23178.6-65.2-169.8000114.2P150 I151 D152 G156 G160 C161P150-L158 HydrophobicContact CB-CD1 4.47Å; I151-L158 WeakPolarHBondContact O-CD1 3.39Å; D152-L158 HydrophobicContact CB-CB 4.43Å; G156-L158 VanDerWaalsContact C-N 3.35Å; L158-G160 PolarHBondContact O-N 3.08Å; L158-C161 PolarHBondContact O-N 2.96Å; L158-C161 VanDerWaalsContact O-N 3.16Å
159D60Low69.5Low136 Ų13687.7 Ų87.773%0.72752%0.516SS*.THydrogen-bonded Turntrans-59.498.5174.2-83.3-19.2000110
160G59.3Low66.8Low78 Ų7890.4 Ų90.480%0.80453%0.534SS*.THydrogen-bonded Turntrans131.6-9.2178.600000116.1L158L158-G160 PolarHBondContact O-N 3.08Å
161C59.8Low64.1Low92 Ų9293.9 Ų93.962%0.62255%0.547SS*.SBendtrans-93.4128.4170.6-70.70000109.6L158 E163L158-C161 PolarHBondContact O-N 2.96Å; L158-C161 VanDerWaalsContact O-N 3.16Å; C161-E163 PolarHBondContact O-N 3.28Å
162P58.1Low61.5Low125 Ų125102.2 Ų102.281%0.81259%0.586SS**PPolyproline II helixtrans-58.7126.7172.114.7-17.5000109.2
163E58.6Low59Low114 Ų114108.9 Ų108.953%0.53362%0.615SS.*PPolyproline II helixtrans-56.9129.8174-175.1153.4-156.700108.2K104 C161 E165K104-E163 WeakPolarHBondContact CD-OE1 3.49Å; K104-E163 VanDerWaalsContact CE-OE1 3.28Å; K104-E163 WeakPolarHBondContact CE-OE1 3.43Å; K104-E163 IonicContact NZ-OE1 3.74Å; K104-E163 PolarHBondContact NZ-OE1 2.89Å; K104-E163 IonicContact NZ-OE2 2.85Å; K104-E163 PolarHBondContact NZ-OE2 3.4Å; C161-E163 PolarHBondContact O-N 3.28Å; E163-E165 PolarHBondContact O-N 2.91Å; E163-E165 VanDerWaalsContact O-N 3.15Å
164P60.2Low56.5Low68 Ų68112.9 Ų112.944%0.44265%0.645SS.*PPolyproline II helixtrans-58125.2174.422.6-30.5000108Q166P164-Q166 PolarHBondContact O-N 3.19Å
165E55Low54Low192 Ų192117.7 Ų117.790%0.89766%0.661SS**  trans-53.6106.5177.7-67.4177175.400108.6E163E163-E165 PolarHBondContact O-N 2.91Å; E163-E165 VanDerWaalsContact O-N 3.15Å
166Q56.3Low52Low94 Ų94123 Ų12344%0.43969%0.688SS.*  trans-64.6140164.8-67.7-122.1-45.500106.8P164 T168P164-Q166 PolarHBondContact O-N 3.19Å; Q166-T168 PolarHBondContact O-N 2.88Å
167P51.6Low50.4Low127 Ų127130 Ų13083%0.82572%0.716SS**  trans-57.7106.9173.9-18.229.7000108.9
168T44.6Very low48.6Very low104 Ų104126.6 Ų126.664%0.63871%0.713SS**  trans-76.3124.1168.545.70000107.4Q166 D170Q166-T168 PolarHBondContact O-N 2.88Å; T168-D170 WeakPolarHBondContact CB-OD2 3.34Å; T168-D170 PolarHBondContact O-N 3.45Å; T168-D170 PolarHBondContact OG1-OD2 3.47Å
169E47.4Very low47Very low149 Ų149130.2 Ų130.270%0.69673%0.733SS**  trans-71.477.4166.2-68.9-170.1160.100108.6N171E169-N171 PolarHBondContact O-N 2.83Å
170D38Very low46Very low118 Ų118131.5 Ų131.563%0.63173%0.734SS**  trans-81.2101.9174.7-71.2-43.7000109.6T168 E172T168-D170 WeakPolarHBondContact CB-OD2 3.34Å; T168-D170 PolarHBondContact O-N 3.45Å; T168-D170 PolarHBondContact OG1-OD2 3.47Å; D170-E172 VanDerWaalsContact C-N 3.29Å; D170-E172 PolarHBondContact O-N 2.83Å
171N37.1Very low45.1Very low166 Ų166134.7 Ų134.789%0.88873%0.728SS**  trans-61.386.8161.9-87.8-37.6000109.9E169 E173E169-N171 PolarHBondContact O-N 2.83Å; N171-E173 PolarHBondContact O-N 3.01Å
172E39.2Very low44Very low183 Ų183137.9 Ų137.986%0.85573%0.734SS**  trans-95.571.8165.6-69.2-161.1160.900110.9D170 S174D170-E172 VanDerWaalsContact C-N 3.29Å; D170-E172 PolarHBondContact O-N 2.83Å; E172-S174 PolarHBondContact O-N 2.77Å
173E39.4Very low43.2Very low188 Ų188139 Ų13988%0.87974%0.739SS**  trans-89.784.4159.5-162-180-151.100108.2N171N171-E173 PolarHBondContact O-N 3.01Å
174S38Very low42.2Very low95 Ų95141.6 Ų141.666%0.66475%0.75SS**  trans169.1141.8146520000112.4E172E172-S174 PolarHBondContact O-N 2.77Å
175N34Very low41Very low143 Ų143144.6 Ų144.677%0.76576%0.763SS**  trans87.896.6164.4-50-41.5000116.3
176L39.5Very low40.4Very low177 Ų177143.3 Ų143.393%0.92776%0.761SS**  -172.689.3115.4-96.8143.8000110.2
177L39.8Very low39.7Very low185 Ų185143.9 Ų143.997%0.96978%0.775SS**  trans-74.3122.4153.5-92.5144.1000107.8
178G33.5Very low39Very low61 Ų61146.5 Ų146.563%0.62978%0.776SS**  trans169.1123.9168.700000114.3
179N38.2Very low38.9Very low139 Ų139149.2 Ų149.274%0.74379%0.786SS**  trans95100160.2-53.2-2.2000114.8
180E39.5Very low38.6Very low163 Ų163149.1 Ų149.176%0.76279%0.79SS**  72.8133.889.2-71.9171.716900110.2
181E39.8Very low38.6Very low146 Ų146151.9 Ų151.968%0.68280%0.799SS**  cis-173.5148.77.3-109.3-176149.200105.6
182Q36.5Very low38.8Very low158 Ų158151.5 Ų151.574%0.73879%0.792SS**  trans58108.1145.5-57.7174.629.300121.3
183V41.4Very low38.6Very low150 Ų150148.8 Ų148.891%0.90978%0.783SS**  -147.4114.1129.5-1730000109.3
184E37.8Very low38.4Very low167 Ų167148.1 Ų148.178%0.7878%0.78SS**  trans-88.4149.4172.7-83.1-16916300112.7
185N34.3Very low38.7Very low131 Ų131150 Ų15070%0.70178%0.783SS**  trans68.4118.8147.5-70.2-37.3000120
186I43.6Very low39.2Very low166 Ų166150.1 Ų150.185%0.85178%0.779SS**  -157.4109.4125.7-92.4147.4000109.3
187S40.6Very low39.2Very low105 Ų105147.6 Ų147.673%0.73477%0.766SS**  trans29.8129.6148.461.80000123.5
188Q38Very low39.1Very low182 Ų182145.1 Ų145.185%0.8575%0.754SS**  trans-57.4155.7157.9-60.3163.3-6.800113.6
189L42.4Very low39.4Very low161 Ų161150.2 Ų150.284%0.84376%0.759SS**  trans155.9119.5157.2-82.7161.8000104
190D40Very low39.4Very low148 Ų148150 Ų15079%0.79176%0.757SS**  cis-159.2153.444.7-79-46.8000111.1
191Q38.6Very low39.3Very low176 Ų176149.5 Ų149.582%0.82276%0.76SS**  trans-95.2164.8169.2-64.5173.6-29.800110.8
192E39.8Very low39.3Very low158 Ų158148.2 Ų148.274%0.73876%0.764SS**  trans113.4128141.1-75.4-178.2-174.600121
193N36.2Very low39.3Very low125 Ų125145.6 Ų145.667%0.66876%0.763SS**  trans88.3102.8150-55.9-29.7000118.1
194E35.7Very low39Very low174 Ų174145.7 Ų145.781%0.81376%0.758SS**  65.3109.379.2-76.2-161.5161.400113.5
195D43.1Very low38.7Very low135 Ų135146.5 Ų146.572%0.72276%0.76SS**  -179123.7123.7-98.8-32.4000114.4
196Q45.8Very low38.6Very low145 Ų145144.2 Ų144.268%0.67875%0.753SS**  76.1106.2129.8-68.8178.553.500123.7
197N38.3Very low37.9Very low124 Ų124145.4 Ų145.466%0.66376%0.755SS**  82.3128.1110.7-78.7-25.9000123
198N37.5Very low37.5Very low134 Ų134144.3 Ų144.372%0.71776%0.76SS**  trans81142.2138.2-74.1-22.2000118.3
199K40.1Very low37.2Very low167 Ų167145 Ų14573%0.72676%0.764SS**  cis176.3151.5-14.4-143.4-174.3166.1176.50105.6
200L37.9Very low36.7Very low134 Ų134143.1 Ų143.170%0.70276%0.763SS**  trans86.391.5151-60.3155.9000120.1
201D38Very low36.1Very low154 Ų154139.5 Ų139.582%0.82476%0.761SS**  50.7150.2109.5-73.9-27.3000124.6
202P39Very low35.6Very low119 Ų119137.4 Ų137.477%0.77376%0.76SS**  trans-110.7164-154.839.8-26.7000113.9
203S36.8Very low35.1Very low103 Ų103138.3 Ų138.372%0.7277%0.765SS**  trans-156.6126.116663.60000113.8
204N34.9Very low34.6Very low151 Ų151142.4 Ų142.481%0.80778%0.777SS**  trans61.9135.9139.4-67.7-13.7000117.8
205F31.9Very low34.6Very low185 Ų185141.3 Ų141.381%0.81178%0.775SS**  cis-173.4142.747.5-163.2-107.6000112.2
206C32Very low33.9Very low82 Ų82143.2 Ų143.255%0.55478%0.779SS**  trans6126.6159.1-92.10000124
207E28.8Very low33.4Very low191 Ų191144.1 Ų144.189%0.89379%0.789SS**  53.3127.2111.7-67.2-178.9151.600122
208G32.6Very low33.4Very low82 Ų82142.4 Ų142.485%0.84579%0.792SS**  trans-177.274.4157.700000112
209Q32.3Very low33.4Very low198 Ų198141.7 Ų141.793%0.92580%0.797SS**  trans-81.5146.1172.2-89-174.1-2.300112.5
210S30.6Very low33.2Very low120 Ų120139.2 Ų139.284%0.83980%0.8SS**  trans-52.2147.6-177.351.80000117.2
211G27.3Very low33.4Very low72 Ų72141.2 Ų141.274%0.74281%0.808SS**  trans-148.6122.1156.100000111.2
212V29.2Very low33.5Very low133 Ų133138.6 Ų138.681%0.80680%0.8SS**  trans-150.395.6156.8-172.10000106.3
213Q30.1Very low33.3Very low177 Ų177140 Ų14083%0.82780%0.8SS**  55.797.296.3-87.6-174.4-39.200115.6
214F24.1Very low33.4Very low210 Ų210143.3 Ų143.392%0.92180%0.803SS**  trans-87.1137.4153.8-82.7-89.4000109.4
215I36.1Very low33.4Very low152 Ų152140.8 Ų140.878%0.77980%0.795SS**  trans-113.6114.8165.1-58.5178.8000107.1
216E28.2Very low33.5Very low174 Ų174138.7 Ų138.781%0.81380%0.797SS**  trans-66.5148.2170.3-67.3174.4133.900111.1
217N36.2Very low33.6Very low164 Ų164143.8 Ų143.888%0.87781%0.813SS**  trans-148.1103.5141.2-103.1-22000111.1
218A37.7Very low34.3Very low89 Ų89139.8 Ų139.874%0.73681%0.806SS**  trans35.7115.914000000119.4
219S38.4Very low34.9Very low118 Ų118140.5 Ų140.583%0.82580%0.798SS**  171135.681.556.60000113.4
220C35.3Very low35.5Very low116 Ų116135.8 Ų135.878%0.78478%0.783SS**  trans66.396147.1-125.50000122.5
221M42Very low36.5Very low175 Ų175133.3 Ų133.386%0.86276%0.763SS**  76.6147.4125.5-67.7-84.1157.900121.1
222P39.3Very low37.8Very low100 Ų100135.2 Ų135.265%0.64976%0.762SS**  trans-125.1168.9-140.432.8-12.4000115.8
223L35.2Very low38.8Very low149 Ų149130.8 Ų130.878%0.7874%0.735SS**  trans136.2132.9133.4-72.3171.7000115.5
224H39Very low40Very low171 Ų171128.1 Ų128.179%0.79273%0.726SS**  trans92.6150.1154.1-85.1-62000120.4
225P36Very low41.3Very low98 Ų98122.6 Ų122.664%0.63671%0.71SS**  -125.8167.8-113.843-28.2000115.3
226V32.3Very low41.8Very low141 Ų141125.7 Ų125.786%0.85572%0.718SS**  trans55.5100.5166.1-166.20000116.3
227Q34.6Very low42.5Very low190 Ų190123.3 Ų123.389%0.88871%0.714SS**  trans-111.7120.8167.4-75.4-172.5-38.300110
228S43.3Very low42.8Very low107 Ų107121.2 Ų121.275%0.74871%0.705SS**  trans-64.5124.5155.358.80000107.9T230S228-T230 PolarHBondContact O-N 3.41Å
229S45.1Very low43.1Very low96 Ų96122.9 Ų122.967%0.67170%0.703SS**  trans-79.499.9178.152.20000110.3
230T45.2Very low43.4Very low100 Ų100123.2 Ų123.261%0.61370%0.696SS**PPolyproline II helixtrans-76.6116.5161.7-50.20000108S228S228-T230 PolarHBondContact O-N 3.41Å
231V52.1Low43.9Very low68 Ų68123.7 Ų123.741%0.41269%0.691SS.*PPolyproline II helixtrans-88124.9175-174.40000108.4
232P54.1Low44Very low111 Ų111120.3 Ų120.372%0.72168%0.679SS**PPolyproline II helixtrans-70.4134.5174.928-31.7000110.6
233V51.5Low44.4Very low40 Ų40121.7 Ų121.724%0.24268%0.681CS.*PPolyproline II helixtrans-87.9127.1173.9174.70000109.2V62 H70 F72V62-V233 HydrophobicContact CG1-CG2 3.52Å; H70-V233 HydrophobicContact CB-CG1 3.72Å; F72-V233 HydrophobicContact CB-CG2 4.42Å
234D55Low45.1Very low121 Ų121119.6 Ų119.665%0.64767%0.674SS**EExtended strand (participates in β ladder)trans-78.3125.8170.1-75.1-36.3000109.8
235T51.5Low45.6Very low95 Ų95115.3 Ų115.358%0.58366%0.664SS**EExtended strand (participates in β ladder)trans-91.5131.7174.8-41.60000110
236F46.6Very low46.5Very low217 Ų217116.9 Ų116.995%0.95267%0.667SS**  trans-108.50172.8-76.6-79.1000111.9

Retrieved 236 of 236 residues in 41.1 ms (Link to these results)

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