A0A077Z0Z2_TRITR Loading...

Major sperm protein

Central component in molecular interactions underlying sperm crawling. Forms an extensive filament system that extends from sperm villipoda, along the leading edge of the pseudopod.

AlphaFold DB , UniProt , Accession A0A077Z0Z2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 127 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
1M38Very low71.3Confident235 Ų23589.4 Ų89.4100%1.15849%0.491SS*.  0118.10-78.7173.2171.400107.3N3M1-N3 PolarHBondContact O-N 2.8Å
2A48.8Very low73.5Confident69 Ų6987.8 Ų87.857%0.5748%0.481SS*.  trans-77.3118.3176.100000108.8H4A2-H4 VanDerWaalsContact C-N 3.28Å; A2-H4 WeakPolarHBondContact CB-NE2 3.47Å; A2-H4 PolarHBondContact O-CD2 3.46Å; A2-H4 PolarHBondContact O-N 3.43Å
3N48.1Very low75.4Confident150 Ų15081.8 Ų81.880%0.80245%0.449SS*.  trans-71.180.6178.2-77.6-14.8000110M1 L5M1-N3 PolarHBondContact O-N 2.8Å; N3-L5 VanDerWaalsContact C-N 3.25Å; N3-L5 PolarHBondContact O-N 3.31Å; N3-L5 VanDerWaalsContact O-N 3.14Å
4H56.6Low77Confident60 Ų6081.6 Ų81.628%0.27845%0.451SS..  trans-84.445.6-179.5-71.4-69.1000113.4A2 T6 W109 V115A2-H4 VanDerWaalsContact C-N 3.28Å; A2-H4 WeakPolarHBondContact CB-NE2 3.47Å; A2-H4 PolarHBondContact O-CD2 3.46Å; A2-H4 PolarHBondContact O-N 3.43Å; H4-T6 VanDerWaalsContact C-N 3.27Å; H4-T6 PolarHBondContact O-N 3.13Å; H4-W109 AromaticContact CE1-CZ2 3.85Å; H4-W109 AromaticContact NE2-CH2 3.34Å; H4-W109 VanDerWaalsContact NE2-CH2 3.34Å; H4-W109 WeakPolarHBondContact NE2-CH2 3.41Å; H4-W109 AromaticContact NE2-CZ2 3.56Å; H4-V115 WeakPolarHBondContact O-CG2 3.33Å
5L61.5Low78.4Confident164 Ų16479.3 Ų79.386%0.85944%0.442SS*.  trans-80.8-4.7179.5-70.5173.7000113.8N3N3-L5 VanDerWaalsContact C-N 3.25Å; N3-L5 PolarHBondContact O-N 3.31Å; N3-L5 VanDerWaalsContact O-N 3.14Å
6T73Confident79.5Confident88 Ų8877.8 Ų77.854%0.5444%0.442SS..SBendtrans-90.4123.2176.849.60000110.7H4H4-T6 VanDerWaalsContact C-N 3.27Å; H4-T6 PolarHBondContact O-N 3.13Å
7L84.7Confident80.4Confident93 Ų9379.5 Ų79.549%0.48745%0.45SS..PPolyproline II helixtrans-58.5129.9170.5-168.868.2000108.7V115 R117L7-V115 HydrophobicContact CB-CG1 4.46Å; L7-V115 HydrophobicContact CD1-CG1 3.87Å; L7-R117 HydrophobicContact CD1-CG 3.86Å; L7-R117 HydrophobicContact CD2-CG 4.47Å; L7-R117 HydrophobicContact CG-CG 3.99Å
8P90Very high81.3Confident0 Ų078.7 Ų78.70%044%0.442CS..PPolyproline II helixtrans-55.6155.3-176.621.1-33.2000111L43 E97 R117P8-L43 HydrophobicContact CB-CD2 3.86Å; P8-E97 HydrophobicContact CB-CG 3.74Å; P8-R117 HydrophobicContact CG-CB 4.23Å; P8-R117 HydrophobicContact CG-CG 3.9Å; P8-R117 WeakPolarHBondContact O-CD 3.21Å; P8-R117 PolarHBondContact O-NE 3.12Å; P8-R117 PolarHBondContact O-NH2 3.14Å
9P91.2Very high82.1Confident36 Ų3674.6 Ų74.623%0.23442%0.419CS..PPolyproline II helixtrans-57.6157.7169.124.1-33.3000111.1L43 W95P9-L43 HydrophobicContact CG-CD1 4.29Å; P9-L43 HydrophobicContact CG-CD2 3.97Å; P9-L43 HydrophobicContact CG-CG 4.45Å; P9-W95 PolarHBondContact O-NE1 2.89Å
10N94.5Very high82.7Confident84 Ų8478.1 Ų78.145%0.44943%0.425SS..PPolyproline II helixtrans-67.5147.5175.5-74.5-17.9000111.3R117N10-R117 WeakPolarHBondContact OD1-CD 3.32Å; N10-R117 PolarHBondContact OD1-NE 2.88Å; N10-R117 PolarHBondContact OD1-NH1 2.87Å
11I97.3Very high83.3Confident4 Ų474.7 Ų74.72%0.02141%0.407CS..EExtended strand (participates in β ladder)trans-94.3117.5159.7-68-179.8000107.2T13 L35 I36 L43 W45 L64 W95I11-T13 HydrophobicContact CG2-CG2 4.27Å; I11-L35 HydrophobicContact CG2-CB 3.96Å; I11-L35 HydrophobicContact CG2-CD2 4.18Å; I11-I36 WeakPolarHBondContact CA-O 3.35Å; I11-L43 HydrophobicContact CD1-CD1 3.93Å; I11-L43 HydrophobicContact CG1-CD1 3.49Å; I11-L43 VanDerWaalsContact CG1-CD1 3.49Å; I11-W45 HydrophobicContact CD1-CB 4.17Å; I11-L64 HydrophobicContact CD1-CD2 4.2Å; I11-L64 HydrophobicContact CG1-CD2 4.35Å; I11-W95 HydrophobicContact CB-CD2 4.27Å; I11-W95 HydrophobicContact CB-CE3 4.48Å; I11-W95 HydrophobicContact CB-CZ2 4.3Å; I11-W95 HydrophobicContact CD1-CB 3.66Å; I11-W95 HydrophobicContact CD1-CD2 3.73Å; I11-W95 HydrophobicContact CD1-CE3 4.18Å; I11-W95 HydrophobicContact CD1-CG 3.5Å; I11-W95 HydrophobicContact CG1-CD2 3.89Å; I11-W95 HydrophobicContact CG1-CE3 4.48Å; I11-W95 HydrophobicContact CG1-CG 3.93Å
12D98.1Very high85.9Confident70 Ų7067.9 Ų67.937%0.37438%0.375SS..EExtended strand (participates in β ladder)trans-82.3158.1167.8-53.9-41.2000109.2I36 Q38D12-I36 HydrophobicContact CB-CB 4.15Å; D12-I36 PolarHBondContact N-O 2.84Å; D12-I36 PolarHBondContact O-N 2.93Å; D12-Q38 VanDerWaalsContact OD2-CG 3.23Å; D12-Q38 WeakPolarHBondContact OD2-CG 3.49Å
13T98.5Very high87.8Confident10 Ų1065.1 Ų65.16%0.06135%0.354CS..EExtended strand (participates in β ladder)trans-133.7157.8177.359.70000113.4I11 P15 A16 L33 Q34 L35 I93 K119 I121I11-T13 HydrophobicContact CG2-CG2 4.27Å; T13-P15 CarbonylContact C-O 3.58Å; T13-P15 VanDerWaalsContact CB-O 3.28Å; T13-P15 WeakPolarHBondContact CB-O 3.44Å; T13-P15 CarbonylContact O-C 3.57Å; T13-P15 PolarHBondContact OG1-O 2.9Å; T13-A16 WeakPolarHBondContact O-CA 3.31Å; T13-A16 PolarHBondContact OG1-O 3.34Å; T13-L33 HydrophobicContact CG2-CD1 4.39Å; T13-Q34 CarbonylContact C-O 3.55Å; T13-Q34 WeakPolarHBondContact CA-O 3.44Å; T13-Q34 VanDerWaalsContact CB-O 3.27Å; T13-Q34 WeakPolarHBondContact CB-O 3.32Å; T13-L35 HydrophobicContact CG2-CD2 3.67Å; T13-I93 HydrophobicContact CG2-CD1 3.69Å; T13-K119 HydrophobicContact CG2-CD 4.16Å; T13-K119 PolarHBondContact OG1-NZ 2.91Å; T13-I121 HydrophobicContact CG2-CD1 3.94Å; T13-I121 WeakPolarHBondContact OG1-CD1 3.29Å
14T98Very high89.7Confident79 Ų7961.3 Ų61.349%0.48534%0.337SS..EExtended strand (participates in β ladder)trans-131.5115.6168.4-55.60000108.8Q34T14-Q34 PolarHBondContact N-O 3.3Å; T14-Q34 PolarHBondContact O-N 3.47Å
15P97.4Very high91.3Very high48 Ų4858.5 Ų58.531%0.31232%0.324SS..SBendcis-58.1159.1-6-23.835.6000114.4T13 E18 I19T13-P15 CarbonylContact C-O 3.58Å; T13-P15 VanDerWaalsContact CB-O 3.28Å; T13-P15 WeakPolarHBondContact CB-O 3.44Å; T13-P15 CarbonylContact O-C 3.57Å; T13-P15 PolarHBondContact OG1-O 2.9Å; P15-E18 WeakPolarHBondContact CB-O 3.18Å; P15-I19 HydrophobicContact CG-CG1 4.4Å
16A97Very high92.8Very high54 Ų5457.1 Ų57.145%0.44632%0.317SS..SBendtrans-70-53.4-172.400000112.7T13 K119T13-A16 WeakPolarHBondContact O-CA 3.31Å; T13-A16 PolarHBondContact OG1-O 3.34Å; A16-K119 PolarHBondContact O-NZ 2.91Å
17D94.8Very high93.8Very high107 Ų10759 Ų5957%0.57232%0.322SS*.SBendtrans-135.9-12-171.2-58.3-53.3000113.5K119 I121 N122D17-K119 IonicContact OD1-NZ 2.76Å; D17-I121 CarbonylContact O-C 3.53Å; D17-I121 WeakPolarHBondContact O-CA 3.23Å; D17-N122 PolarHBondContact O-N 3.4Å
18E96.5Very high94.4Very high66 Ų6658 Ų5831%0.30832%0.32SS..EExtended strand (participates in β ladder)trans-145.2135.2-175.4-169.1170.7-13700112.7P15 W20 N122 S124P15-E18 WeakPolarHBondContact CB-O 3.18Å; E18-W20 WeakPolarHBondContact OE2-CZ2 3.34Å; E18-W20 PolarHBondContact OE2-NE1 3.33Å; E18-N122 CarbonylContact C-O 3.59Å; E18-N122 WeakPolarHBondContact CA-O 3.37Å; E18-N122 HydrophobicContact CB-CB 4.45Å; E18-N122 HydrophobicContact CG-CB 4.1Å; E18-S124 VanDerWaalsContact OE1-CB 3.31Å; E18-S124 WeakPolarHBondContact OE1-CB 3.44Å; E18-S124 PolarHBondContact OE1-OG 2.6Å
19I96.7Very high94.7Very high1 Ų159.4 Ų59.41%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-107.1132.4170.5-69.8173.7000107.5P15 L21 T31 L33 V74 L91 I121 N122 V123 S124P15-I19 HydrophobicContact CG-CG1 4.4Å; I19-L21 HydrophobicContact CG2-CD2 4.33Å; I19-L21 HydrophobicContact CG2-CG 4.22Å; I19-T31 HydrophobicContact CD1-CG2 4.15Å; I19-T31 HydrophobicContact CG2-CG2 3.52Å; I19-L33 HydrophobicContact CD1-CB 4.49Å; I19-L33 HydrophobicContact CD1-CD1 4.45Å; I19-V74 HydrophobicContact CD1-CG2 4.36Å; I19-L91 HydrophobicContact CD1-CD1 3.92Å; I19-I121 HydrophobicContact CD1-CG2 4.15Å; I19-I121 HydrophobicContact CG1-CG2 3.98Å; I19-N122 PolarHBondContact N-O 2.79Å; I19-V123 HydrophobicContact CB-CG2 4.38Å; I19-V123 HydrophobicContact CG2-CG1 4.23Å; I19-V123 CarbonylContact O-C 3.58Å; I19-V123 WeakPolarHBondContact O-CA 3.25Å; I19-S124 PolarHBondContact O-N 2.98Å
20W94.4Very high95Very high143 Ų14361.7 Ų61.754%0.54234%0.343SS..EExtended strand (participates in β ladder)trans-105.9129.1173.4-73.185.9000110.7E18 S124 N126E18-W20 WeakPolarHBondContact OE2-CZ2 3.34Å; E18-W20 PolarHBondContact OE2-NE1 3.33Å; W20-S124 WeakPolarHBondContact CA-O 3.03Å; W20-N126 HydrophobicContact CE3-CB 4.15Å; W20-N126 HydrophobicContact CZ3-CB 4.38Å
21L94.5Very high95.1Very high8 Ų859.4 Ų59.44%0.04233%0.333CS..EExtended strand (participates in β ladder)trans-121.3165.1171.6-62178.2000109.6I19 Q29 T31 Y55 C76 V123 S124 F125 N126I19-L21 HydrophobicContact CG2-CD2 4.33Å; I19-L21 HydrophobicContact CG2-CG 4.22Å; L21-Q29 HydrophobicContact CD2-CB 4.36Å; L21-T31 HydrophobicContact CD2-CG2 4.28Å; L21-Y55 HydrophobicContact CD1-CE1 4.31Å; L21-C76 HydrophobicContact CD1-CB 3.45Å; L21-C76 VanDerWaalsContact CD1-CB 3.45Å; L21-V123 HydrophobicContact CD1-CG1 3.73Å; L21-V123 HydrophobicContact CG-CG1 4.17Å; L21-S124 PolarHBondContact N-O 3.14Å; L21-F125 HydrophobicContact CB-CD1 3.87Å; L21-F125 HydrophobicContact CB-CE1 3.9Å; L21-F125 HydrophobicContact CD1-CE1 4.02Å; L21-F125 HydrophobicContact CD1-CZ 4.47Å; L21-F125 CarbonylContact O-C 3.53Å; L21-F125 VanDerWaalsContact O-CA 3.29Å; L21-F125 WeakPolarHBondContact O-CA 3.18Å; L21-N126 PolarHBondContact O-N 3.14Å
22N92Very high95.1Very high91 Ų9162.2 Ų62.249%0.48735%0.353SS..EExtended strand (participates in β ladder)trans-83.2133.3177.8-61.1-30.3000112.1Q29 N126N22-Q29 PolarHBondContact O-NE2 2.97Å; N22-N126 VanDerWaalsContact CA-OD1 3.23Å; N22-N126 WeakPolarHBondContact CA-OD1 3.27Å; N22-N126 PolarHBondContact OD1-ND2 2.9Å; N22-N126 PolarHBondContact OD1-OD1 3.15Å; N22-N126 VanDerWaalsContact OD1-OD1 3.12Å
23G88.7Confident95.1Very high12 Ų1258.9 Ų58.912%0.12434%0.335CS..SBendtrans-100.8152.4168.900000111.2N126G23-N126 WeakPolarHBondContact CA-O 3.34Å; G23-N126 PolarHBondContact N-O 3.01Å
24P88.7Confident95.1Very high69 Ų6960.3 Ų60.345%0.44834%0.341SS..SBendcis-63.7143-23.128.3-31.9000111L26 F81P24-L26 VanDerWaalsContact C-N 3.29Å; P24-L26 HydrophobicContact CB-CD2 4.13Å; P24-L26 HydrophobicContact CB-CG 4.23Å; P24-L26 HydrophobicContact CG-CD1 4.14Å; P24-L26 HydrophobicContact CG-CD2 4.12Å; P24-L26 HydrophobicContact CG-CG 3.93Å; P24-L26 PolarHBondContact O-N 2.76Å; P24-F81 HydrophobicContact CB-CD2 3.75Å; P24-F81 HydrophobicContact CB-CE2 4.14Å; P24-F81 HydrophobicContact CB-CG 4.07Å
25C90.3Very high95.1Very high1 Ų156.6 Ų56.61%0.00732%0.318CS..  trans-7481.5175-167.70000109.8I27 Q29 P78 F79 F81 F125C25-I27 PolarHBondContact SG-O 3.31Å; C25-Q29 PolarHBondContact SG-NE2 3.49Å; C25-Q29 VanDerWaalsContact SG-NE2 3.36Å; C25-P78 WeakPolarHBondContact O-CA 3.44Å; C25-P78 WeakPolarHBondContact O-CB 3.23Å; C25-F79 HydrophobicContact CB-CD1 4.05Å; C25-F79 HydrophobicContact CB-CE1 3.75Å; C25-F79 PolarHBondContact O-N 3.3Å; C25-F81 HydrophobicContact CB-CE2 3.84Å; C25-F81 HydrophobicContact CB-CZ 4.43Å; C25-F125 HydrophobicContact CB-CE1 4.37Å
26L91.7Very high95.2Very high136 Ų13655 Ų5571%0.71231%0.307SS*.  trans-86.1-21179.8-60178.4000113P24P24-L26 VanDerWaalsContact C-N 3.29Å; P24-L26 HydrophobicContact CB-CD2 4.13Å; P24-L26 HydrophobicContact CB-CG 4.23Å; P24-L26 HydrophobicContact CG-CD1 4.14Å; P24-L26 HydrophobicContact CG-CD2 4.12Å; P24-L26 HydrophobicContact CG-CG 3.93Å; P24-L26 PolarHBondContact O-N 2.76Å
27I95Very high95.2Very high127 Ų12752.4 Ų52.465%0.65129%0.285SS*.SBendtrans-128.6159.8177.262.1169.9000109.5C25 Q29C25-I27 PolarHBondContact SG-O 3.31Å; I27-Q29 PolarHBondContact O-N 2.72Å
28T97.2Very high95.3Very high71 Ų7152.1 Ų52.144%0.43628%0.28SS..  trans-62.4126.4175-60.30000109.5L75 C76 Y77T28-L75 HydrophobicContact CG2-CD2 4.05Å; T28-C76 CarbonylContact C-O 3.53Å; T28-C76 VanDerWaalsContact CA-O 3.31Å; T28-C76 WeakPolarHBondContact CA-O 3.36Å; T28-Y77 HydrophobicContact CG2-CD1 4.12Å; T28-Y77 HydrophobicContact CG2-CE1 4.37Å
29Q96.9Very high95.1Very high30 Ų3049.5 Ų49.514%0.1427%0.272CS..EExtended strand (participates in β ladder)trans-109.5152.5175.4-69179.669.100110.4L21 N22 C25 I27 L75 C76L21-Q29 HydrophobicContact CD2-CB 4.36Å; N22-Q29 PolarHBondContact O-NE2 2.97Å; C25-Q29 PolarHBondContact SG-NE2 3.49Å; C25-Q29 VanDerWaalsContact SG-NE2 3.36Å; I27-Q29 PolarHBondContact O-N 2.72Å; Q29-L75 CarbonylContact O-C 3.49Å; Q29-L75 VanDerWaalsContact O-CA 3.31Å; Q29-L75 WeakPolarHBondContact O-CA 3.24Å; Q29-C76 PolarHBondContact N-O 2.98Å; Q29-C76 PolarHBondContact O-N 2.77Å
30S96.6Very high94.9Very high84 Ų8454 Ų5459%0.58730%0.303SS*.EExtended strand (participates in β ladder)trans-131.7140178.564.30000110.6V74S30-V74 CarbonylContact C-O 3.54Å; S30-V74 WeakPolarHBondContact CA-O 3.45Å
31T97Very high94.8Very high37 Ų3752.5 Ų52.523%0.22730%0.3CS..EExtended strand (participates in β ladder)trans-134.8167.6166.3-167.30000110.7I19 L21 V74I19-T31 HydrophobicContact CD1-CG2 4.15Å; I19-T31 HydrophobicContact CG2-CG2 3.52Å; L21-T31 HydrophobicContact CD2-CG2 4.28Å; T31-V74 HydrophobicContact CG2-CB 3.91Å; T31-V74 PolarHBondContact N-O 2.95Å; T31-V74 PolarHBondContact O-N 2.87Å
32S97Very high94.8Very high63 Ų6354.1 Ų54.144%0.44131%0.306SS..EExtended strand (participates in β ladder)trans-103.4143171.1620000111.1L72S32-L72 VanDerWaalsContact CA-O 3.31Å; S32-L72 WeakPolarHBondContact CA-O 3.33Å
33L98.3Very high95Very high0 Ų049.8 Ų49.80%028%0.283CS..EExtended strand (participates in β ladder)trans-120.6130.4165.7177.567.1000107.8T13 I19 L35 I47 L72 V74 I93 I121T13-L33 HydrophobicContact CG2-CD1 4.39Å; I19-L33 HydrophobicContact CD1-CB 4.49Å; I19-L33 HydrophobicContact CD1-CD1 4.45Å; L33-L35 HydrophobicContact CD2-CD2 4.23Å; L33-L35 HydrophobicContact CG-CD2 4.35Å; L33-I47 HydrophobicContact CD2-CD1 4.12Å; L33-L72 HydrophobicContact CB-CD1 3.73Å; L33-L72 HydrophobicContact CB-CG 4.09Å; L33-L72 HydrophobicContact CD2-CD1 4.28Å; L33-L72 HydrophobicContact CG-CD1 4.48Å; L33-L72 PolarHBondContact N-O 2.77Å; L33-L72 WeakPolarHBondContact O-CG 3.41Å; L33-L72 PolarHBondContact O-N 2.77Å; L33-V74 HydrophobicContact CB-CG2 4.33Å; L33-I93 HydrophobicContact CD2-CD1 4.13Å; L33-I121 HydrophobicContact CD1-CD1 3.52Å; L33-I121 HydrophobicContact CD2-CD1 3.84Å; L33-I121 HydrophobicContact CG-CD1 4.3Å
34Q98.5Very high95.3Very high40 Ų4049.2 Ų49.219%0.18728%0.277CS..EExtended strand (participates in β ladder)trans-96.2134.6172.2-170.8168.195.300109.6T13 T14 I36 K69 F70 N71T13-Q34 CarbonylContact C-O 3.55Å; T13-Q34 WeakPolarHBondContact CA-O 3.44Å; T13-Q34 VanDerWaalsContact CB-O 3.27Å; T13-Q34 WeakPolarHBondContact CB-O 3.32Å; T14-Q34 PolarHBondContact N-O 3.3Å; T14-Q34 PolarHBondContact O-N 3.47Å; Q34-I36 HydrophobicContact CG-CD1 4.46Å; Q34-I36 HydrophobicContact CG-CG1 3.9Å; Q34-K69 HydrophobicContact CG-CB 4.46Å; Q34-F70 CarbonylContact C-O 3.54Å; Q34-F70 WeakPolarHBondContact CA-O 3.33Å; Q34-N71 WeakPolarHBondContact CB-OD1 3.39Å; Q34-N71 WeakPolarHBondContact CG-OD1 3.36Å; Q34-N71 PolarHBondContact NE2-OD1 2.7Å
35L98.6Very high95.7Very high0 Ų046 Ų460%026%0.256CS..EExtended strand (participates in β ladder)trans-103.3134.4166.2-53-173.3000109.1I11 T13 L33 W45 I47 L64 K69 F70 L72 I93I11-L35 HydrophobicContact CG2-CB 3.96Å; I11-L35 HydrophobicContact CG2-CD2 4.18Å; T13-L35 HydrophobicContact CG2-CD2 3.67Å; L33-L35 HydrophobicContact CD2-CD2 4.23Å; L33-L35 HydrophobicContact CG-CD2 4.35Å; L35-W45 HydrophobicContact CD1-CD2 3.63Å; L35-W45 HydrophobicContact CD1-CE3 3.75Å; L35-W45 HydrophobicContact CD1-CG 4.13Å; L35-W45 HydrophobicContact CD1-CH2 4.13Å; L35-W45 HydrophobicContact CD1-CZ2 4.05Å; L35-W45 HydrophobicContact CD1-CZ3 4Å; L35-I47 HydrophobicContact CD1-CD1 4.16Å; L35-I47 HydrophobicContact CD2-CD1 4.1Å; L35-L64 HydrophobicContact CB-CD2 3.92Å; L35-K69 WeakPolarHBondContact O-CA 3.4Å; L35-F70 PolarHBondContact N-O 3.34Å; L35-F70 PolarHBondContact O-N 2.87Å; L35-L72 HydrophobicContact CD1-CD2 3.96Å; L35-L72 HydrophobicContact CD2-CD2 4.3Å; L35-L72 HydrophobicContact CG-CD2 3.94Å; L35-I93 HydrophobicContact CD2-CD1 3.78Å
36I98.6Very high96.1Very high15 Ų1549.6 Ų49.68%0.07727%0.269CS..EExtended strand (participates in β ladder)trans-128.8117.9-175.7-52.3170.9000109.1I11 D12 Q34 Q38 K69I11-I36 WeakPolarHBondContact CA-O 3.35Å; D12-I36 HydrophobicContact CB-CB 4.15Å; D12-I36 PolarHBondContact N-O 2.84Å; D12-I36 PolarHBondContact O-N 2.93Å; Q34-I36 HydrophobicContact CG-CD1 4.46Å; Q34-I36 HydrophobicContact CG-CG1 3.9Å; I36-Q38 HydrophobicContact CG2-CG 4.09Å; I36-Q38 VanDerWaalsContact CG2-NE2 3.28Å; I36-K69 HydrophobicContact CG1-CG 4.16Å; I36-K69 HydrophobicContact CG2-CG 4.02Å
37N97.5Very high96.4Very high0 Ų043.5 Ų43.50%024%0.237CC..EExtended strand (participates in β ladder)trans-96.796.9172.6179.77.2000109.8G39 K41 L43 L64 K65 K67 E68N37-G39 PolarHBondContact O-N 2.97Å; N37-G39 WeakPolarHBondContact OD1-CA 3.32Å; N37-G39 PolarHBondContact OD1-N 3.37Å; N37-K41 PolarHBondContact ND2-O 3.48Å; N37-L43 HydrophobicContact CB-CD1 4.23Å; N37-L64 HydrophobicContact CB-CD2 3.59Å; N37-L64 HydrophobicContact CB-CG 3.66Å; N37-L64 PolarHBondContact ND2-O 2.87Å; N37-K65 WeakPolarHBondContact CB-O 3.31Å; N37-K65 PolarHBondContact ND2-O 2.78Å; N37-K67 CarbonylContact O-C 3.46Å; N37-K67 WeakPolarHBondContact O-CA 3.2Å; N37-K67 PolarHBondContact O-N 2.67Å; N37-E68 PolarHBondContact N-O 3.29Å
38Q95.8Very high96.5Very high100 Ų10041 Ų4147%0.46722%0.22SC..  trans-75.5-5.5173.6-62.7-65.2-9.400113.1D12 I36 K67D12-Q38 VanDerWaalsContact OD2-CG 3.23Å; D12-Q38 WeakPolarHBondContact OD2-CG 3.49Å; I36-Q38 HydrophobicContact CG2-CG 4.09Å; I36-Q38 VanDerWaalsContact CG2-NE2 3.28Å; Q38-K67 WeakPolarHBondContact O-CE 3.49Å; Q38-K67 PolarHBondContact O-NZ 3Å
39G93.9Very high96.4Very high12 Ų1237.9 Ų37.912%0.12420%0.202CC..SBendtrans-75.9171.9-178.500000114.1N37 K67N37-G39 PolarHBondContact O-N 2.97Å; N37-G39 WeakPolarHBondContact OD1-CA 3.32Å; N37-G39 PolarHBondContact OD1-N 3.37Å; G39-K67 PolarHBondContact O-N 2.96Å
40S92.5Very high96.3Very high94 Ų9440.8 Ų40.866%0.65722%0.218SC*.SBendtrans-93.9-2.1171.556.80000113.1
41K91.9Very high96.2Very high112 Ų11237.5 Ų37.549%0.48720%0.196SC..SBendtrans-110.6148.6-178.6-60.5-58.4-175.3-178.40110.9N37N37-K41 PolarHBondContact ND2-O 3.48Å
42R94.2Very high95.7Very high43 Ų4344.9 Ų44.916%0.16222%0.22CC..  trans-71.8140.2172.8-175.3-173.1-80.1-12710.7109.1V63 A98 T99 H102 D103R42-V63 VanDerWaalsContact CD-CG1 3.41Å; R42-V63 HydrophobicContact CG-CG1 3.36Å; R42-A98 HydrophobicContact CB-CB 4.32Å; R42-A98 HydrophobicContact CG-CB 3.93Å; R42-A98 PolarHBondContact O-N 2.8Å; R42-T99 WeakPolarHBondContact CD-O 3.39Å; R42-H102 PolarHBondContact NH1-O 2.88Å; R42-D103 IonicContact CZ-OD1 3.93Å; R42-D103 IonicContact NH1-OD1 3.57Å; R42-D103 PolarHBondContact NH1-OD1 2.78Å; R42-D103 IonicContact NH2-OD1 3.98Å; R42-D103 PolarHBondContact NH2-OD1 2.78Å
43L95.6Very high95.5Very high0 Ų049.4 Ų49.40%024%0.239CC..EExtended strand (participates in β ladder)trans-117.2138.9179.4-60.5178.7000110P8 P9 I11 N37 V63 L64 T96 E97P8-L43 HydrophobicContact CB-CD2 3.86Å; P9-L43 HydrophobicContact CG-CD1 4.29Å; P9-L43 HydrophobicContact CG-CD2 3.97Å; P9-L43 HydrophobicContact CG-CG 4.45Å; I11-L43 HydrophobicContact CD1-CD1 3.93Å; I11-L43 HydrophobicContact CG1-CD1 3.49Å; I11-L43 VanDerWaalsContact CG1-CD1 3.49Å; N37-L43 HydrophobicContact CB-CD1 4.23Å; L43-V63 CarbonylContact O-C 3.53Å; L43-V63 WeakPolarHBondContact O-CA 3.26Å; L43-L64 HydrophobicContact CB-CB 4.48Å; L43-L64 PolarHBondContact N-O 2.96Å; L43-L64 PolarHBondContact O-N 2.89Å; L43-T96 CarbonylContact C-O 3.57Å; L43-T96 VanDerWaalsContact CA-O 3.31Å; L43-T96 WeakPolarHBondContact CA-O 3.34Å; L43-E97 HydrophobicContact CD2-CG 4.44Å
44M96.2Very high95.3Very high0 Ų052.8 Ų52.80%025%0.252CS..EExtended strand (participates in β ladder)trans-99.9134165.5-170.7176.6-65.700107.9V63 W95 T96 A98 H102 F105 D106 W109 F110M44-V63 HydrophobicContact CE-CG2 4.49Å; M44-W95 CarbonylContact O-C 3.51Å; M44-W95 WeakPolarHBondContact O-CA 3.42Å; M44-W95 VanDerWaalsContact O-CB 3.25Å; M44-W95 WeakPolarHBondContact O-CB 3.23Å; M44-T96 HydrophobicContact CB-CG2 4.32Å; M44-T96 PolarHBondContact N-O 2.89Å; M44-T96 PolarHBondContact O-N 2.74Å; M44-A98 HydrophobicContact CB-CB 4.04Å; M44-A98 HydrophobicContact CE-CB 4.39Å; M44-H102 HydrophobicContact CE-CB 3.88Å; M44-F105 HydrophobicContact CG-CD2 3.33Å; M44-F105 HydrophobicContact CG-CE2 3.58Å; M44-F105 HydrophobicContact CG-CG 4.09Å; M44-F105 HydrophobicContact SD-CD2 3.89Å; M44-F105 HydrophobicContact SD-CE2 4.04Å; M44-F105 HydrophobicContact SD-CG 4.17Å; M44-F105 HydrophobicContact SD-CZ 4.44Å; M44-D106 HydrophobicContact CE-CB 3.83Å; M44-D106 VanDerWaalsContact CE-N 3.34Å; M44-D106 HydrophobicContact SD-CB 4.31Å; M44-D106 PolarHBondContact SD-N 2.8Å; M44-W109 HydrophobicContact CE-CB 4.46Å; M44-W109 HydrophobicContact CE-CG 4.36Å; M44-F110 HydrophobicContact CB-CD2 4.17Å; M44-F110 HydrophobicContact CG-CD2 3.83Å; M44-F110 WeakPolarHBondContact O-CE2 3.23Å; M44-F110 HydrophobicContact SD-CB 3.93Å; M44-F110 HydrophobicContact SD-CD2 4.04Å
45W97.2Very high95.2Very high2 Ų251.7 Ų51.71%0.00825%0.246CC..EExtended strand (participates in β ladder)trans-138.1153-17164-93.8000112.5I11 L35 I47 P59 K61 G62 F70 L72 E94 W95 F105I11-W45 HydrophobicContact CD1-CB 4.17Å; L35-W45 HydrophobicContact CD1-CD2 3.63Å; L35-W45 HydrophobicContact CD1-CE3 3.75Å; L35-W45 HydrophobicContact CD1-CG 4.13Å; L35-W45 HydrophobicContact CD1-CH2 4.13Å; L35-W45 HydrophobicContact CD1-CZ2 4.05Å; L35-W45 HydrophobicContact CD1-CZ3 4Å; W45-I47 HydrophobicContact CE3-CD1 4.29Å; W45-I47 HydrophobicContact CE3-CG1 3.87Å; W45-I47 HydrophobicContact CZ3-CD1 3.97Å; W45-I47 HydrophobicContact CZ3-CG1 3.81Å; W45-P59 HydrophobicContact CH2-CB 4.41Å; W45-P59 HydrophobicContact CH2-CG 3.93Å; W45-P59 VanDerWaalsContact CH2-O 3.32Å; W45-P59 WeakPolarHBondContact CH2-O 3.32Å; W45-P59 HydrophobicContact CZ2-CG 4.18Å; W45-K61 CarbonylContact O-C 3.59Å; W45-K61 VanDerWaalsContact O-CA 3.23Å; W45-K61 WeakPolarHBondContact O-CA 3.38Å; W45-K61 WeakPolarHBondContact O-CB 3.39Å; W45-G62 PolarHBondContact N-O 2.92Å; W45-G62 PolarHBondContact O-N 2.78Å; W45-F70 HydrophobicContact CH2-CE1 4.19Å; W45-F70 AromaticContact CZ2-CD1 3.9Å; W45-F70 HydrophobicContact CZ2-CD1 3.9Å; W45-F70 AromaticContact CZ2-CE1 3.8Å; W45-F70 HydrophobicContact CZ2-CE1 3.8Å; W45-L72 HydrophobicContact CH2-CD2 3.92Å; W45-L72 HydrophobicContact CZ3-CD2 4.07Å; W45-E94 CarbonylContact C-O 3.57Å; W45-E94 VanDerWaalsContact CA-O 3.23Å; W45-E94 WeakPolarHBondContact CA-O 3.26Å; W45-W95 HydrophobicContact CB-CB 4Å; W45-F105 VanDerWaalsContact O-CD2 3.26Å; W45-F105 WeakPolarHBondContact O-CD2 3.47Å; W45-F105 VanDerWaalsContact O-CE2 3.23Å; W45-F105 WeakPolarHBondContact O-CE2 3.42Å
46R97.7Very high95.2Very high75 Ų7553.8 Ų53.828%0.28326%0.257SS..EExtended strand (participates in β ladder)trans-138.9153167.970-177.2-173.4-173.4-1111K60 K61 I93 E94 F105 E107 F110R46-K60 CarbonylContact C-O 3.56Å; R46-K60 WeakPolarHBondContact CA-O 3.32Å; R46-K61 HydrophobicContact CB-CB 3.96Å; R46-I93 WeakPolarHBondContact O-CA 3.23Å; R46-E94 HydrophobicContact CG-CB 4.15Å; R46-E94 IonicContact CZ-OE2 3.59Å; R46-E94 PolarHBondContact N-O 2.66Å; R46-E94 IonicContact NE-OE2 3.88Å; R46-E94 PolarHBondContact NE-OE2 3.36Å; R46-E94 IonicContact NH2-OE2 3.01Å; R46-E94 PolarHBondContact NH2-OE2 3.49Å; R46-E94 PolarHBondContact O-N 3.03Å; R46-F105 HydrophobicContact CB-CE2 4.12Å; R46-F105 HydrophobicContact CB-CZ 4.37Å; R46-E107 IonicContact NH1-OE1 3.99Å; R46-F110 HydrophobicContact CG-CE1 3.95Å; R46-F110 HydrophobicContact CG-CZ 3.79Å
47I97.8Very high95.2Very high8 Ų853.8 Ų53.84%0.04126%0.257CS..EExtended strand (participates in β ladder)trans-130.2136.4175.6-56.3-175000109.5L33 L35 W45 V57 K60 L72 L91 T92 I93L33-I47 HydrophobicContact CD2-CD1 4.12Å; L35-I47 HydrophobicContact CD1-CD1 4.16Å; L35-I47 HydrophobicContact CD2-CD1 4.1Å; W45-I47 HydrophobicContact CE3-CD1 4.29Å; W45-I47 HydrophobicContact CE3-CG1 3.87Å; W45-I47 HydrophobicContact CZ3-CD1 3.97Å; W45-I47 HydrophobicContact CZ3-CG1 3.81Å; I47-V57 HydrophobicContact CB-CG1 4.19Å; I47-V57 HydrophobicContact CG2-CG1 4.13Å; I47-V57 HydrophobicContact CG2-CG2 4.27Å; I47-K60 PolarHBondContact N-O 2.77Å; I47-L72 HydrophobicContact CD1-CD2 3.31Å; I47-L91 HydrophobicContact CG2-CB 4.3Å; I47-T92 VanDerWaalsContact CA-O 3.26Å; I47-T92 WeakPolarHBondContact CA-O 3.31Å; I47-I93 HydrophobicContact CD1-CD1 4.15Å; I47-I93 HydrophobicContact CD1-CG1 3.91Å; I47-I93 HydrophobicContact CD1-CG2 4.36Å; I47-I93 HydrophobicContact CG1-CB 4.23Å; I47-I93 HydrophobicContact CG1-CG1 3.92Å; I47-I93 HydrophobicContact CG1-CG2 4Å
48Y96.8Very high95.2Very high74 Ų7461.3 Ų61.329%0.2929%0.286SS..EExtended strand (participates in β ladder)trans-143.5153.117355.7-90.8000110.6T92 E94Y48-T92 HydrophobicContact CE1-CG2 4.14Å; Y48-T92 HydrophobicContact CE2-CG2 4.1Å; Y48-T92 PolarHBondContact N-O 2.97Å; Y48-T92 PolarHBondContact O-N 2.97Å; Y48-T92 WeakPolarHBondContact OH-CG2 3.25Å; Y48-E94 HydrophobicContact CE1-CG 4.07Å; Y48-E94 PolarHBondContact OH-OE1 3.32Å
49A96.5Very high95.3Very high7 Ų759.1 Ų59.16%0.05828%0.28CS..EExtended strand (participates in β ladder)trans-95.1152.4172.300000110.8R52 Y55 T90 L91A49-R52 VanDerWaalsContact O-CG 3.31Å; A49-R52 WeakPolarHBondContact O-CG 3.28Å; A49-Y55 HydrophobicContact CB-CD2 3.55Å; A49-Y55 HydrophobicContact CB-CE2 4.49Å; A49-Y55 HydrophobicContact CB-CG 3.99Å; A49-T90 VanDerWaalsContact CA-O 3.32Å; A49-T90 WeakPolarHBondContact CA-O 3.12Å; A49-L91 HydrophobicContact CB-CD2 3.69Å
50D95Very high95.4Very high91 Ų9164.9 Ų64.949%0.48730%0.302SS..SBendtrans-64.9-47.1164.256-6.1000111.3R52 T90D50-R52 VanDerWaalsContact C-N 3.32Å; D50-R52 PolarHBondContact O-N 3.38Å; D50-T90 VanDerWaalsContact CG-N 3.31Å; D50-T90 PolarHBondContact N-O 2.82Å; D50-T90 PolarHBondContact OD1-N 2.92Å; D50-T90 PolarHBondContact OD2-N 2.8Å; D50-T90 VanDerWaalsContact OD2-N 3.14Å
51A93Very high95.7Very high14 Ų1464.1 Ų64.112%0.11629%0.287CS..SBendtrans-84.268.117500000111.8N53 R54 Y55A51-N53 PolarHBondContact O-N 3.45Å; A51-R54 HydrophobicContact CB-CB 4.16Å; A51-R54 HydrophobicContact CB-CG 3.96Å; A51-R54 WeakPolarHBondContact O-CB 3.38Å; A51-R54 PolarHBondContact O-N 2.71Å; A51-Y55 HydrophobicContact CB-CD2 4.23Å; A51-Y55 HydrophobicContact CB-CE2 4.02Å; A51-Y55 WeakPolarHBondContact O-CD2 3.46Å; A51-Y55 PolarHBondContact O-N 3.09Å
52R88.1Confident96Very high193 Ų19359.4 Ų59.473%0.72827%0.27SS*.THydrogen-bonded Turntrans-53.9-29.4-171.3-64.5-177.6-176.8179.91.8116.2A49 D50A49-R52 VanDerWaalsContact O-CG 3.31Å; A49-R52 WeakPolarHBondContact O-CG 3.28Å; D50-R52 VanDerWaalsContact C-N 3.32Å; D50-R52 PolarHBondContact O-N 3.38Å
53N91.4Very high96.1Very high158 Ų15858.6 Ų58.685%0.84527%0.27SS*.THydrogen-bonded Turntrans-83-14.7179.2-65.9-20.3000113.1A51A51-N53 PolarHBondContact O-N 3.45Å
54R94.7Very high96.2Very high71 Ų7158.6 Ų58.627%0.26827%0.27SS..THydrogen-bonded Turntrans-89.6-29.2179.9-58.7-175.9-155161.98.9112A51 C76 Y77 F79 D89A51-R54 HydrophobicContact CB-CB 4.16Å; A51-R54 HydrophobicContact CB-CG 3.96Å; A51-R54 WeakPolarHBondContact O-CB 3.38Å; A51-R54 PolarHBondContact O-N 2.71Å; R54-C76 CarbonylContact O-C 3.58Å; R54-C76 WeakPolarHBondContact O-CA 3.44Å; R54-Y77 PolarHBondContact O-N 2.68Å; R54-F79 HydrophobicContact CG-CB 4.29Å; R54-F79 HydrophobicContact CG-CD1 4.31Å; R54-F79 HydrophobicContact CG-CG 4.25Å; R54-D89 IonicContact CZ-OD1 2.77Å; R54-D89 IonicContact CZ-OD2 2.68Å; R54-D89 IonicContact NH1-OD1 3.64Å; R54-D89 PolarHBondContact NH1-OD1 2.71Å; R54-D89 IonicContact NH1-OD2 3.81Å; R54-D89 PolarHBondContact NH1-OD2 2.83Å
55Y97.2Very high96.2Very high16 Ų1664 Ų646%0.06329%0.294CS..EExtended strand (participates in β ladder)trans-116137.9-171-60.3-78.6000114L21 A49 A51 V74 L75 C76 D89 V123 F125L21-Y55 HydrophobicContact CD1-CE1 4.31Å; A49-Y55 HydrophobicContact CB-CD2 3.55Å; A49-Y55 HydrophobicContact CB-CE2 4.49Å; A49-Y55 HydrophobicContact CB-CG 3.99Å; A51-Y55 HydrophobicContact CB-CD2 4.23Å; A51-Y55 HydrophobicContact CB-CE2 4.02Å; A51-Y55 WeakPolarHBondContact O-CD2 3.46Å; A51-Y55 PolarHBondContact O-N 3.09Å; Y55-V74 HydrophobicContact CD1-CG1 3.98Å; Y55-L75 CarbonylContact C-O 3.53Å; Y55-L75 VanDerWaalsContact CA-O 3.22Å; Y55-L75 WeakPolarHBondContact CA-O 3.26Å; Y55-C76 HydrophobicContact CD1-CB 4.06Å; Y55-C76 HydrophobicContact CE1-CB 3.78Å; Y55-D89 HydrophobicContact CE2-CB 3.63Å; Y55-D89 WeakPolarHBondContact CE2-OD2 3.04Å; Y55-D89 WeakPolarHBondContact OH-CB 3.47Å; Y55-D89 PolarHBondContact OH-OD2 2.84Å; Y55-V123 HydrophobicContact CE1-CB 4.46Å; Y55-V123 HydrophobicContact CE1-CG1 3.86Å; Y55-V123 WeakPolarHBondContact OH-CG1 3.31Å; Y55-F125 WeakPolarHBondContact OH-CZ 3.49Å
56L97.6Very high96.1Very high45 Ų4566 Ų6624%0.23631%0.31CS..EExtended strand (participates in β ladder)trans-118.9117.7163.5171.364.1000109.3R58 L75 Y77L56-R58 HydrophobicContact CD1-CG 4.22Å; L56-R58 HydrophobicContact CG-CG 4.2Å; L56-L75 HydrophobicContact CB-CB 4.14Å; L56-L75 HydrophobicContact CB-CD1 4.31Å; L56-L75 HydrophobicContact CD2-CD1 3.78Å; L56-L75 HydrophobicContact CG-CD1 4.15Å; L56-L75 PolarHBondContact N-O 2.95Å; L56-L75 PolarHBondContact O-N 2.87Å; L56-Y77 HydrophobicContact CB-CE2 3.87Å; L56-Y77 VanDerWaalsContact CD2-OH 3.24Å; L56-Y77 WeakPolarHBondContact CD2-OH 3.08Å
57V98Very high96Very high14 Ų1469 Ų699%0.08533%0.326CS..EExtended strand (participates in β ladder)trans-102.2128.2176.8-173.60000109.8I47 K60 L72 F73 L91I47-V57 HydrophobicContact CB-CG1 4.19Å; I47-V57 HydrophobicContact CG2-CG1 4.13Å; I47-V57 HydrophobicContact CG2-CG2 4.27Å; V57-K60 HydrophobicContact CB-CB 4.48Å; V57-K60 PolarHBondContact O-N 3.27Å; V57-L72 HydrophobicContact CG1-CD1 3.63Å; V57-L72 HydrophobicContact CG1-CD2 4.49Å; V57-F73 CarbonylContact C-O 3.13Å; V57-F73 WeakPolarHBondContact CA-O 3.31Å; V57-L91 HydrophobicContact CG2-CD2 4.21Å
58R97.6Very high96Very high158 Ų15871.5 Ų71.560%0.59634%0.337SS*.EExtended strand (participates in β ladder)trans-133.9120.2-178.8-77.6-169.2169.6174.30.8113.6L56 L72 F73L56-R58 HydrophobicContact CD1-CG 4.22Å; L56-R58 HydrophobicContact CG-CG 4.2Å; R58-L72 WeakPolarHBondContact O-CA 3.43Å; R58-L72 WeakPolarHBondContact O-CB 3.24Å; R58-F73 PolarHBondContact N-O 2.91Å; R58-F73 PolarHBondContact O-N 3.05Å
59P97.8Very high96.1Very high54 Ų5474.3 Ų74.335%0.35135%0.351SS..SBendcis-67.5151.5-14.727.3-30.5000111.3W45 F70W45-P59 HydrophobicContact CH2-CB 4.41Å; W45-P59 HydrophobicContact CH2-CG 3.93Å; W45-P59 VanDerWaalsContact CH2-O 3.32Å; W45-P59 WeakPolarHBondContact CH2-O 3.32Å; W45-P59 HydrophobicContact CZ2-CG 4.18Å; P59-F70 HydrophobicContact CG-CE1 3.42Å; P59-F70 VanDerWaalsContact CG-CE1 3.42Å; P59-F70 HydrophobicContact CG-CZ 3.41Å; P59-F70 VanDerWaalsContact CG-CZ 3.41Å
60K97.6Very high96.1Very high134 Ų13477 Ų7758%0.58336%0.361SS*.SBendtrans-84.2-14.7176.669179.3179.5-179.80113.8R46 I47 V57R46-K60 CarbonylContact C-O 3.56Å; R46-K60 WeakPolarHBondContact CA-O 3.32Å; I47-K60 PolarHBondContact N-O 2.77Å; V57-K60 HydrophobicContact CB-CB 4.48Å; V57-K60 PolarHBondContact O-N 3.27Å
61K98Very high96.3Very high77 Ų7777.1 Ų77.134%0.33536%0.362SS..EExtended strand (participates in β ladder)trans-158.2154.5-178.167-171.7-165.5168.80110.1W45 R46 F105 E107W45-K61 CarbonylContact O-C 3.59Å; W45-K61 VanDerWaalsContact O-CA 3.23Å; W45-K61 WeakPolarHBondContact O-CA 3.38Å; W45-K61 WeakPolarHBondContact O-CB 3.39Å; R46-K61 HydrophobicContact CB-CB 3.96Å; K61-F105 HydrophobicContact CB-CD1 4.48Å; K61-F105 HydrophobicContact CB-CD2 3.7Å; K61-F105 HydrophobicContact CB-CE2 3.95Å; K61-F105 HydrophobicContact CB-CG 3.98Å; K61-F105 HydrophobicContact CB-CZ 4.45Å; K61-F105 HydrophobicContact CD-CB 4.44Å; K61-F105 HydrophobicContact CD-CD1 3.53Å; K61-F105 HydrophobicContact CD-CD2 4.27Å; K61-F105 HydrophobicContact CD-CE1 3.74Å; K61-F105 HydrophobicContact CD-CE2 4.44Å; K61-F105 HydrophobicContact CD-CG 3.81Å; K61-F105 HydrophobicContact CD-CZ 4.2Å; K61-F105 HydrophobicContact CG-CB 4.17Å; K61-F105 HydrophobicContact CG-CD1 4.13Å; K61-F105 HydrophobicContact CG-CD2 4.14Å; K61-F105 HydrophobicContact CG-CG 3.87Å; K61-E107 IonicContact NZ-OE2 2.8Å; K61-E107 PolarHBondContact NZ-OE2 2.9Å
62G97.6Very high96.5Very high14 Ų1476.5 Ų76.514%0.14436%0.356CS..EExtended strand (participates in β ladder)trans179.3-165.9-17800000113.1W45W45-G62 PolarHBondContact N-O 2.92Å; W45-G62 PolarHBondContact O-N 2.78Å
63V97.2Very high97Very high26 Ų2673.3 Ų73.316%0.15835%0.348CS..EExtended strand (participates in β ladder)trans-120136.6174.5174.40000107.4R42 L43 M44R42-V63 VanDerWaalsContact CD-CG1 3.41Å; R42-V63 HydrophobicContact CG-CG1 3.36Å; L43-V63 CarbonylContact O-C 3.53Å; L43-V63 WeakPolarHBondContact O-CA 3.26Å; M44-V63 HydrophobicContact CE-CG2 4.49Å
64L97.1Very high97.3Very high0 Ų065.9 Ų65.90%031%0.308CS..EExtended strand (participates in β ladder)trans-118.7109178.7-170.563.9000108I11 L35 N37 L43 E68 F70I11-L64 HydrophobicContact CD1-CD2 4.2Å; I11-L64 HydrophobicContact CG1-CD2 4.35Å; L35-L64 HydrophobicContact CB-CD2 3.92Å; N37-L64 HydrophobicContact CB-CD2 3.59Å; N37-L64 HydrophobicContact CB-CG 3.66Å; N37-L64 PolarHBondContact ND2-O 2.87Å; L43-L64 HydrophobicContact CB-CB 4.48Å; L43-L64 PolarHBondContact N-O 2.96Å; L43-L64 PolarHBondContact O-N 2.89Å; L64-E68 HydrophobicContact CD1-CB 3.87Å; L64-E68 HydrophobicContact CD1-CG 3.81Å; L64-E68 HydrophobicContact CG-CB 4.41Å; L64-F70 HydrophobicContact CD1-CB 3.51Å
65K96.2Very high97.4Very high113 Ų11364.6 Ų64.649%0.49131%0.306SS..  trans-63161.7-179.6-63.3175.5-178.7175.80110.6N37 K67 E68N37-K65 WeakPolarHBondContact CB-O 3.31Å; N37-K65 PolarHBondContact ND2-O 2.78Å; K65-K67 PolarHBondContact O-N 3.18Å; K65-E68 HydrophobicContact CB-CB 4.01Å; K65-E68 WeakPolarHBondContact CB-OE2 3.45Å; K65-E68 PolarHBondContact N-OE2 3.38Å; K65-E68 VanDerWaalsContact O-CB 3.26Å; K65-E68 WeakPolarHBondContact O-CB 3.45Å; K65-E68 PolarHBondContact O-N 3.41Å
66A94.9Very high97.4Very high43 Ų4363.8 Ų63.836%0.35530%0.303SS..THydrogen-bonded Turntrans-55.9135.7173.100000110.1E68A66-E68 PolarHBondContact O-N 2.85Å; A66-E68 VanDerWaalsContact O-N 3.09Å
67K96.6Very high97.4Very high140 Ų14066 Ų6661%0.60931%0.309SS*.THydrogen-bonded Turntrans61.111.6-179.5-51.1-59.2-174.7170.50115.3N37 Q38 G39 K65N37-K67 CarbonylContact O-C 3.46Å; N37-K67 WeakPolarHBondContact O-CA 3.2Å; N37-K67 PolarHBondContact O-N 2.67Å; Q38-K67 WeakPolarHBondContact O-CE 3.49Å; Q38-K67 PolarHBondContact O-NZ 3Å; G39-K67 PolarHBondContact O-N 2.96Å; K65-K67 PolarHBondContact O-N 3.18Å
68E97.5Very high97.2Very high59 Ų5968.5 Ų68.528%0.27633%0.326SS..  trans-81.9143.8-179.7-173172.6-149.700112N37 L64 K65 A66N37-E68 PolarHBondContact N-O 3.29Å; L64-E68 HydrophobicContact CD1-CB 3.87Å; L64-E68 HydrophobicContact CD1-CG 3.81Å; L64-E68 HydrophobicContact CG-CB 4.41Å; K65-E68 HydrophobicContact CB-CB 4.01Å; K65-E68 WeakPolarHBondContact CB-OE2 3.45Å; K65-E68 PolarHBondContact N-OE2 3.38Å; K65-E68 VanDerWaalsContact O-CB 3.26Å; K65-E68 WeakPolarHBondContact O-CB 3.45Å; K65-E68 PolarHBondContact O-N 3.41Å; A66-E68 PolarHBondContact O-N 2.85Å; A66-E68 VanDerWaalsContact O-N 3.09Å
69K98.2Very high97Very high134 Ų13462.6 Ų62.658%0.58331%0.305SS*.EExtended strand (participates in β ladder)trans-112.6129.1165.6-60.7-175.7-179.6-176.10108.2Q34 L35 I36Q34-K69 HydrophobicContact CG-CB 4.46Å; L35-K69 WeakPolarHBondContact O-CA 3.4Å; I36-K69 HydrophobicContact CG1-CG 4.16Å; I36-K69 HydrophobicContact CG2-CG 4.02Å
70F98Very high96.6Very high64 Ų6465 Ų6528%0.28132%0.32SS..EExtended strand (participates in β ladder)trans-131.4127.2-175.8-178.4-97.9000110.6Q34 L35 W45 P59 L64 L72Q34-F70 CarbonylContact C-O 3.54Å; Q34-F70 WeakPolarHBondContact CA-O 3.33Å; L35-F70 PolarHBondContact N-O 3.34Å; L35-F70 PolarHBondContact O-N 2.87Å; W45-F70 HydrophobicContact CH2-CE1 4.19Å; W45-F70 AromaticContact CZ2-CD1 3.9Å; W45-F70 HydrophobicContact CZ2-CD1 3.9Å; W45-F70 AromaticContact CZ2-CE1 3.8Å; W45-F70 HydrophobicContact CZ2-CE1 3.8Å; P59-F70 HydrophobicContact CG-CE1 3.42Å; P59-F70 VanDerWaalsContact CG-CE1 3.42Å; P59-F70 HydrophobicContact CG-CZ 3.41Å; P59-F70 VanDerWaalsContact CG-CZ 3.41Å; L64-F70 HydrophobicContact CD1-CB 3.51Å; F70-L72 HydrophobicContact CE1-CB 4.08Å
71N98Very high96Very high92 Ų9262 Ų6249%0.49231%0.307SS..EExtended strand (participates in β ladder)trans-94.9134.5176.5-66.4-40.6000110.3Q34Q34-N71 WeakPolarHBondContact CB-OD1 3.39Å; Q34-N71 WeakPolarHBondContact CG-OD1 3.36Å; Q34-N71 PolarHBondContact NE2-OD1 2.7Å
72L98Very high95.3Very high1 Ų165.5 Ų65.51%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-124.8161.2170.767.582.4000110.6S32 L33 L35 W45 I47 V57 R58 F70 V74S32-L72 VanDerWaalsContact CA-O 3.31Å; S32-L72 WeakPolarHBondContact CA-O 3.33Å; L33-L72 HydrophobicContact CB-CD1 3.73Å; L33-L72 HydrophobicContact CB-CG 4.09Å; L33-L72 HydrophobicContact CD2-CD1 4.28Å; L33-L72 HydrophobicContact CG-CD1 4.48Å; L33-L72 PolarHBondContact N-O 2.77Å; L33-L72 WeakPolarHBondContact O-CG 3.41Å; L33-L72 PolarHBondContact O-N 2.77Å; L35-L72 HydrophobicContact CD1-CD2 3.96Å; L35-L72 HydrophobicContact CD2-CD2 4.3Å; L35-L72 HydrophobicContact CG-CD2 3.94Å; W45-L72 HydrophobicContact CH2-CD2 3.92Å; W45-L72 HydrophobicContact CZ3-CD2 4.07Å; I47-L72 HydrophobicContact CD1-CD2 3.31Å; V57-L72 HydrophobicContact CG1-CD1 3.63Å; V57-L72 HydrophobicContact CG1-CD2 4.49Å; R58-L72 WeakPolarHBondContact O-CA 3.43Å; R58-L72 WeakPolarHBondContact O-CB 3.24Å; F70-L72 HydrophobicContact CE1-CB 4.08Å; L72-V74 HydrophobicContact CD1-CG2 3.77Å
73F97.6Very high94.3Very high127 Ų12771.9 Ų71.956%0.55736%0.357SS*.EExtended strand (participates in β ladder)trans-102.3138178.3-63.9-82000110.8V57 R58V57-F73 CarbonylContact C-O 3.13Å; V57-F73 WeakPolarHBondContact CA-O 3.31Å; R58-F73 PolarHBondContact N-O 2.91Å; R58-F73 PolarHBondContact O-N 3.05Å
74V97.9Very high93.5Very high1 Ų176.8 Ų76.81%0.00638%0.382CS..EExtended strand (participates in β ladder)trans-116.2116.2169-176.20000107.4I19 S30 T31 L33 Y55 L72 L91I19-V74 HydrophobicContact CD1-CG2 4.36Å; S30-V74 CarbonylContact C-O 3.54Å; S30-V74 WeakPolarHBondContact CA-O 3.45Å; T31-V74 HydrophobicContact CG2-CB 3.91Å; T31-V74 PolarHBondContact N-O 2.95Å; T31-V74 PolarHBondContact O-N 2.87Å; L33-V74 HydrophobicContact CB-CG2 4.33Å; Y55-V74 HydrophobicContact CD1-CG1 3.98Å; L72-V74 HydrophobicContact CD1-CG2 3.77Å; V74-L91 HydrophobicContact CG1-CD1 4.01Å; V74-L91 HydrophobicContact CG2-CD1 3.77Å
75L97.2Very high92.3Very high44 Ų4478.7 Ų78.723%0.2340%0.396CS..EExtended strand (participates in β ladder)trans-99135.6172.1-67.6159.9000108.8T28 Q29 Y55 L56T28-L75 HydrophobicContact CG2-CD2 4.05Å; Q29-L75 CarbonylContact O-C 3.49Å; Q29-L75 VanDerWaalsContact O-CA 3.31Å; Q29-L75 WeakPolarHBondContact O-CA 3.24Å; Y55-L75 CarbonylContact C-O 3.53Å; Y55-L75 VanDerWaalsContact CA-O 3.22Å; Y55-L75 WeakPolarHBondContact CA-O 3.26Å; L56-L75 HydrophobicContact CB-CB 4.14Å; L56-L75 HydrophobicContact CB-CD1 4.31Å; L56-L75 HydrophobicContact CD2-CD1 3.78Å; L56-L75 HydrophobicContact CG-CD1 4.15Å; L56-L75 PolarHBondContact N-O 2.95Å; L56-L75 PolarHBondContact O-N 2.87Å
76C96.9Very high91.1Very high0 Ų078.3 Ų78.30%040%0.404CS..EExtended strand (participates in β ladder)trans-113.3115.6169.8-174.30000108.4L21 T28 Q29 R54 Y55L21-C76 HydrophobicContact CD1-CB 3.45Å; L21-C76 VanDerWaalsContact CD1-CB 3.45Å; T28-C76 CarbonylContact C-O 3.53Å; T28-C76 VanDerWaalsContact CA-O 3.31Å; T28-C76 WeakPolarHBondContact CA-O 3.36Å; Q29-C76 PolarHBondContact N-O 2.98Å; Q29-C76 PolarHBondContact O-N 2.77Å; R54-C76 CarbonylContact O-C 3.58Å; R54-C76 WeakPolarHBondContact O-CA 3.44Å; Y55-C76 HydrophobicContact CD1-CB 4.06Å; Y55-C76 HydrophobicContact CE1-CB 3.78Å
77Y96.6Very high90.3Very high91 Ų9181.1 Ų81.136%0.35741%0.414SS..  trans-76.9156.4174.7-63.7-62.4000111.1T28 R54 L56 F79T28-Y77 HydrophobicContact CG2-CD1 4.12Å; T28-Y77 HydrophobicContact CG2-CE1 4.37Å; R54-Y77 PolarHBondContact O-N 2.68Å; L56-Y77 HydrophobicContact CB-CE2 3.87Å; L56-Y77 VanDerWaalsContact CD2-OH 3.24Å; L56-Y77 WeakPolarHBondContact CD2-OH 3.08Å; Y77-F79 WeakPolarHBondContact O-CD1 3.27Å
78P95Very high90Very high67 Ų6777.1 Ų77.144%0.43540%0.401SS..  trans-56.9140.4175.1-24.433.7000112.8C25C25-P78 WeakPolarHBondContact O-CA 3.44Å; C25-P78 WeakPolarHBondContact O-CB 3.23Å
79F92.7Very high89.9Confident34 Ų3474.8 Ų74.815%0.14939%0.39CS..  trans-149.9155.3175.867.8-83.3000111.5C25 R54 Y77 F81 F125C25-F79 HydrophobicContact CB-CD1 4.05Å; C25-F79 HydrophobicContact CB-CE1 3.75Å; C25-F79 PolarHBondContact O-N 3.3Å; R54-F79 HydrophobicContact CG-CB 4.29Å; R54-F79 HydrophobicContact CG-CD1 4.31Å; R54-F79 HydrophobicContact CG-CG 4.25Å; Y77-F79 WeakPolarHBondContact O-CD1 3.27Å; F79-F81 HydrophobicContact CD1-CE2 4.43Å; F79-F81 HydrophobicContact CD2-CD2 4.34Å; F79-F81 HydrophobicContact CD2-CE2 4.31Å; F79-F81 AromaticContact CE1-CE2 3.76Å; F79-F81 HydrophobicContact CE1-CE2 3.76Å; F79-F81 HydrophobicContact CE1-CZ 4.23Å; F79-F81 AromaticContact CE2-CD2 3.88Å; F79-F81 HydrophobicContact CE2-CD2 3.88Å; F79-F81 AromaticContact CE2-CE2 3.62Å; F79-F81 HydrophobicContact CE2-CE2 3.62Å; F79-F81 HydrophobicContact CE2-CG 4.49Å; F79-F81 HydrophobicContact CE2-CZ 4.11Å; F79-F81 HydrophobicContact CZ-CD2 4.06Å; F79-F81 HydrophobicContact CZ-CE1 4.44Å; F79-F81 AromaticContact CZ-CE2 3.3Å; F79-F81 HydrophobicContact CZ-CE2 3.3Å; F79-F81 AromaticContact CZ-CZ 3.57Å; F79-F81 HydrophobicContact CZ-CZ 3.57Å; F79-F81 PolarHBondContact O-N 3.45Å; F79-F125 AromaticContact CE1-CE1 3.79Å; F79-F125 HydrophobicContact CE1-CE1 3.79Å; F79-F125 HydrophobicContact CE1-CE2 4.3Å; F79-F125 AromaticContact CE1-CZ 3.54Å; F79-F125 HydrophobicContact CE1-CZ 3.54Å; F79-F125 HydrophobicContact CZ-CD2 4.4Å; F79-F125 AromaticContact CZ-CE1 3.93Å; F79-F125 HydrophobicContact CZ-CE1 3.93Å; F79-F125 AromaticContact CZ-CE2 3.78Å; F79-F125 HydrophobicContact CZ-CE2 3.78Å; F79-F125 AromaticContact CZ-CZ 3.49Å; F79-F125 HydrophobicContact CZ-CZ 3.49Å; F79-F125 VanDerWaalsContact CZ-CZ 3.49Å
80P89.6Confident89.8Confident103 Ų10369.8 Ų69.867%0.66937%0.371SS*.  trans-67.8121.1175.8-18.131.7000111.2
81F86.1Confident89.8Confident72 Ų7266.8 Ų66.832%0.31636%0.358SS..  trans-72.4131.4167.7-85.1-113000108.8P24 C25 F79 F125P24-F81 HydrophobicContact CB-CD2 3.75Å; P24-F81 HydrophobicContact CB-CE2 4.14Å; P24-F81 HydrophobicContact CB-CG 4.07Å; C25-F81 HydrophobicContact CB-CE2 3.84Å; C25-F81 HydrophobicContact CB-CZ 4.43Å; F79-F81 HydrophobicContact CD1-CE2 4.43Å; F79-F81 HydrophobicContact CD2-CD2 4.34Å; F79-F81 HydrophobicContact CD2-CE2 4.31Å; F79-F81 AromaticContact CE1-CE2 3.76Å; F79-F81 HydrophobicContact CE1-CE2 3.76Å; F79-F81 HydrophobicContact CE1-CZ 4.23Å; F79-F81 AromaticContact CE2-CD2 3.88Å; F79-F81 HydrophobicContact CE2-CD2 3.88Å; F79-F81 AromaticContact CE2-CE2 3.62Å; F79-F81 HydrophobicContact CE2-CE2 3.62Å; F79-F81 HydrophobicContact CE2-CG 4.49Å; F79-F81 HydrophobicContact CE2-CZ 4.11Å; F79-F81 HydrophobicContact CZ-CD2 4.06Å; F79-F81 HydrophobicContact CZ-CE1 4.44Å; F79-F81 AromaticContact CZ-CE2 3.3Å; F79-F81 HydrophobicContact CZ-CE2 3.3Å; F79-F81 AromaticContact CZ-CZ 3.57Å; F79-F81 HydrophobicContact CZ-CZ 3.57Å; F79-F81 PolarHBondContact O-N 3.45Å; F81-F125 HydrophobicContact CE1-CB 3.88Å; F81-F125 HydrophobicContact CE1-CD1 4.46Å; F81-F125 HydrophobicContact CE1-CD2 4.46Å; F81-F125 HydrophobicContact CE1-CG 4.03Å; F81-F125 HydrophobicContact CZ-CB 3.94Å; F81-F125 AromaticContact CZ-CD1 3.69Å; F81-F125 HydrophobicContact CZ-CD1 3.69Å; F81-F125 HydrophobicContact CZ-CD2 4.24Å; F81-F125 HydrophobicContact CZ-CE1 4.22Å; F81-F125 AromaticContact CZ-CG 3.68Å; F81-F125 HydrophobicContact CZ-CG 3.68Å
82R82.5Confident89.8Confident151 Ų15163.2 Ų63.257%0.5734%0.339SS*.  trans-120.4134.1178-53.2-177.5174.1174.9-2.1110.1D84 S85R82-D84 WeakPolarHBondContact CB-OD1 3.22Å; R82-D84 PolarHBondContact O-N 3.48Å; R82-D84 VanDerWaalsContact O-N 3.14Å; R82-S85 WeakPolarHBondContact CB-OG 3.48Å; R82-S85 PolarHBondContact O-N 2.87Å; R82-S85 VanDerWaalsContact O-N 3.16Å
83P76.6Confident89.8Confident147 Ų14763.1 Ų63.196%0.95534%0.339SS*.THydrogen-bonded Turntrans-60-22.6177.9-23.533.1000114.5
84D79.7Confident89.8Confident130 Ų13057.8 Ų57.870%0.69532%0.316SS*.THydrogen-bonded Turntrans-94.9-2.4-177.869.2-19.3000113.8R82R82-D84 WeakPolarHBondContact CB-OD1 3.22Å; R82-D84 PolarHBondContact O-N 3.48Å; R82-D84 VanDerWaalsContact O-N 3.14Å
85S71.9Confident89.7Confident40 Ų4058 Ų5828%0.2832%0.317SS..SBendtrans-102.3146.9-176.7-63.60000110.8R82 N87R82-S85 WeakPolarHBondContact CB-OG 3.48Å; R82-S85 PolarHBondContact O-N 2.87Å; R82-S85 VanDerWaalsContact O-N 3.16Å; S85-N87 PolarHBondContact O-N 2.85Å
86P70.7Confident89.6Confident104 Ų10456.1 Ų56.168%0.67531%0.307SS*.  trans-55.7137.5173.6-22.932.6000111.2T88P86-T88 PolarHBondContact O-N 2.86Å; P86-T88 VanDerWaalsContact O-N 3.12Å
87N79.6Confident89.4Confident103 Ų10357.5 Ų57.555%0.55131%0.313SS*.SBendtrans-77.516172.9-70.4-20.2000112.8S85 F125S85-N87 PolarHBondContact O-N 2.85Å; N87-F125 PolarHBondContact O-N 3.16Å
88T90.7Very high89.2Confident55 Ų5553.7 Ų53.734%0.33730%0.301SS..EExtended strand (participates in β ladder)trans-141.9123.5-173.1-53.30000109.7P86 N122 V123 S124P86-T88 PolarHBondContact O-N 2.86Å; P86-T88 VanDerWaalsContact O-N 3.12Å; T88-N122 HydrophobicContact CG2-CB 3.71Å; T88-V123 WeakPolarHBondContact CA-O 3.4Å; T88-S124 PolarHBondContact OG1-OG 3.42Å
89D94.2Very high88.9Confident10 Ų1052.6 Ų52.65%0.05329%0.293CS..EExtended strand (participates in β ladder)trans-101172.6167.6-66.6-37.6000110R54 Y55 N122 V123R54-D89 IonicContact CZ-OD1 2.77Å; R54-D89 IonicContact CZ-OD2 2.68Å; R54-D89 IonicContact NH1-OD1 3.64Å; R54-D89 PolarHBondContact NH1-OD1 2.71Å; R54-D89 IonicContact NH1-OD2 3.81Å; R54-D89 PolarHBondContact NH1-OD2 2.83Å; Y55-D89 HydrophobicContact CE2-CB 3.63Å; Y55-D89 WeakPolarHBondContact CE2-OD2 3.04Å; Y55-D89 WeakPolarHBondContact OH-CB 3.47Å; Y55-D89 PolarHBondContact OH-OD2 2.84Å; D89-N122 CarbonylContact O-C 3.57Å; D89-V123 HydrophobicContact CB-CB 4.37Å; D89-V123 PolarHBondContact N-O 2.84Å; D89-V123 PolarHBondContact O-N 3.42Å
90T96.8Very high88.6Confident30 Ų3058.9 Ų58.918%0.18432%0.323CS..EExtended strand (participates in β ladder)trans-127.4128.9-178.7-56.20000112.4A49 D50 N120A49-T90 VanDerWaalsContact CA-O 3.32Å; A49-T90 WeakPolarHBondContact CA-O 3.12Å; D50-T90 VanDerWaalsContact CG-N 3.31Å; D50-T90 PolarHBondContact N-O 2.82Å; D50-T90 PolarHBondContact OD1-N 2.92Å; D50-T90 PolarHBondContact OD2-N 2.8Å; D50-T90 VanDerWaalsContact OD2-N 3.14Å; T90-N120 HydrophobicContact CG2-CB 3.69Å
91L98Very high88.5Confident0 Ų061.1 Ų61.10%033%0.329CS..EExtended strand (participates in β ladder)trans-92.7122.6159.2-60.6-178.9000109.7I19 I47 A49 V57 V74 N120 I121 V123I19-L91 HydrophobicContact CD1-CD1 3.92Å; I47-L91 HydrophobicContact CG2-CB 4.3Å; A49-L91 HydrophobicContact CB-CD2 3.69Å; V57-L91 HydrophobicContact CG2-CD2 4.21Å; V74-L91 HydrophobicContact CG1-CD1 4.01Å; V74-L91 HydrophobicContact CG2-CD1 3.77Å; L91-N120 CarbonylContact O-C 3.54Å; L91-N120 WeakPolarHBondContact O-CA 3.31Å; L91-I121 HydrophobicContact CB-CB 4.41Å; L91-I121 PolarHBondContact N-O 2.87Å; L91-I121 PolarHBondContact O-N 3.07Å; L91-V123 HydrophobicContact CD1-CG2 4.1Å; L91-V123 HydrophobicContact CG-CG2 3.75Å
92T97.9Very high88.7Confident17 Ų1758.9 Ų58.910%0.10432%0.32CS..EExtended strand (participates in β ladder)trans-100.1128.4172.1-580000109.9I47 Y48 E94 N120I47-T92 VanDerWaalsContact CA-O 3.26Å; I47-T92 WeakPolarHBondContact CA-O 3.31Å; Y48-T92 HydrophobicContact CE1-CG2 4.14Å; Y48-T92 HydrophobicContact CE2-CG2 4.1Å; Y48-T92 PolarHBondContact N-O 2.97Å; Y48-T92 PolarHBondContact O-N 2.97Å; Y48-T92 WeakPolarHBondContact OH-CG2 3.25Å; T92-E94 HydrophobicContact CG2-CG 4.06Å; T92-N120 WeakPolarHBondContact CG2-OD1 3.12Å; T92-N120 PolarHBondContact OG1-OD1 2.94Å
93I98Very high89.1Confident0 Ų056.7 Ų56.70%032%0.319CS..EExtended strand (participates in β ladder)trans-106.4124.7173.3-46.4-179.9000107.3T13 L33 L35 R46 I47 W95 R118 K119 I121T13-I93 HydrophobicContact CG2-CD1 3.69Å; L33-I93 HydrophobicContact CD2-CD1 4.13Å; L35-I93 HydrophobicContact CD2-CD1 3.78Å; R46-I93 WeakPolarHBondContact O-CA 3.23Å; I47-I93 HydrophobicContact CD1-CD1 4.15Å; I47-I93 HydrophobicContact CD1-CG1 3.91Å; I47-I93 HydrophobicContact CD1-CG2 4.36Å; I47-I93 HydrophobicContact CG1-CB 4.23Å; I47-I93 HydrophobicContact CG1-CG1 3.92Å; I47-I93 HydrophobicContact CG1-CG2 4Å; I93-W95 HydrophobicContact CG2-CE3 4.07Å; I93-W95 HydrophobicContact CG2-CZ3 4.38Å; I93-W95 WeakPolarHBondContact O-CZ3 3.32Å; I93-R118 CarbonylContact O-C 3.55Å; I93-R118 WeakPolarHBondContact O-CA 3.39Å; I93-K119 HydrophobicContact CB-CG 3.9Å; I93-K119 HydrophobicContact CD1-CD 4.14Å; I93-K119 HydrophobicContact CD1-CG 4.04Å; I93-K119 HydrophobicContact CG1-CG 4.2Å; I93-K119 PolarHBondContact N-O 2.72Å; I93-K119 PolarHBondContact O-N 3.48Å; I93-I121 HydrophobicContact CD1-CD1 3.7Å; I93-I121 HydrophobicContact CD1-CG1 4.24Å
94E96.9Very high89.9Confident14 Ų1457 Ų577%0.06531%0.308CS..EExtended strand (participates in β ladder)trans-119.7142.5173-62.6-173.8132.400109.9W45 R46 Y48 T92 F110 R117 R118W45-E94 CarbonylContact C-O 3.57Å; W45-E94 VanDerWaalsContact CA-O 3.23Å; W45-E94 WeakPolarHBondContact CA-O 3.26Å; R46-E94 HydrophobicContact CG-CB 4.15Å; R46-E94 IonicContact CZ-OE2 3.59Å; R46-E94 PolarHBondContact N-O 2.66Å; R46-E94 IonicContact NE-OE2 3.88Å; R46-E94 PolarHBondContact NE-OE2 3.36Å; R46-E94 IonicContact NH2-OE2 3.01Å; R46-E94 PolarHBondContact NH2-OE2 3.49Å; R46-E94 PolarHBondContact O-N 3.03Å; Y48-E94 HydrophobicContact CE1-CG 4.07Å; Y48-E94 PolarHBondContact OH-OE1 3.32Å; T92-E94 HydrophobicContact CG2-CG 4.06Å; E94-F110 HydrophobicContact CB-CE1 4.31Å; E94-F110 HydrophobicContact CB-CZ 3.79Å; E94-R117 VanDerWaalsContact CA-O 3.31Å; E94-R117 WeakPolarHBondContact CA-O 3.49Å; E94-R118 HydrophobicContact CG-CB 4.04Å; E94-R118 IonicContact OE1-CZ 3.59Å; E94-R118 IonicContact OE1-NE 3.36Å; E94-R118 IonicContact OE1-NH2 2.84Å
95W96.6Very high90.7Very high6 Ų652.5 Ų52.52%0.02328%0.282CS..EExtended strand (participates in β ladder)trans-150.5155.7177.368.199.7000113.5P9 I11 M44 W45 I93 A116 R117 K119P9-W95 PolarHBondContact O-NE1 2.89Å; I11-W95 HydrophobicContact CB-CD2 4.27Å; I11-W95 HydrophobicContact CB-CE3 4.48Å; I11-W95 HydrophobicContact CB-CZ2 4.3Å; I11-W95 HydrophobicContact CD1-CB 3.66Å; I11-W95 HydrophobicContact CD1-CD2 3.73Å; I11-W95 HydrophobicContact CD1-CE3 4.18Å; I11-W95 HydrophobicContact CD1-CG 3.5Å; I11-W95 HydrophobicContact CG1-CD2 3.89Å; I11-W95 HydrophobicContact CG1-CE3 4.48Å; I11-W95 HydrophobicContact CG1-CG 3.93Å; M44-W95 CarbonylContact O-C 3.51Å; M44-W95 WeakPolarHBondContact O-CA 3.42Å; M44-W95 VanDerWaalsContact O-CB 3.25Å; M44-W95 WeakPolarHBondContact O-CB 3.23Å; W45-W95 HydrophobicContact CB-CB 4Å; I93-W95 HydrophobicContact CG2-CE3 4.07Å; I93-W95 HydrophobicContact CG2-CZ3 4.38Å; I93-W95 WeakPolarHBondContact O-CZ3 3.32Å; W95-A116 CarbonylContact O-C 3.54Å; W95-A116 VanDerWaalsContact O-CA 3.28Å; W95-A116 WeakPolarHBondContact O-CA 3.31Å; W95-R117 HydrophobicContact CD2-CB 3.85Å; W95-R117 HydrophobicContact CE3-CB 4.23Å; W95-R117 HydrophobicContact CH2-CB 3.74Å; W95-R117 HydrophobicContact CZ2-CB 3.31Å; W95-R117 VanDerWaalsContact CZ2-CD 3.44Å; W95-R117 HydrophobicContact CZ2-CG 4.05Å; W95-R117 HydrophobicContact CZ3-CB 4.16Å; W95-R117 PolarHBondContact N-O 3.36Å; W95-R117 PolarHBondContact O-N 3.04Å; W95-K119 HydrophobicContact CH2-CB 4.1Å; W95-K119 HydrophobicContact CH2-CD 4.46Å; W95-K119 HydrophobicContact CH2-CG 4.07Å; W95-K119 HydrophobicContact CZ3-CB 4.07Å; W95-K119 HydrophobicContact CZ3-CD 4.48Å; W95-K119 HydrophobicContact CZ3-CG 3.78Å
96T95.3Very high91.8Very high4 Ų453.5 Ų53.53%0.02528%0.284CS..EExtended strand (participates in β ladder)trans-136.9166.3173.3-167.90000110.1L43 M44 F110 S113 V115L43-T96 CarbonylContact C-O 3.57Å; L43-T96 VanDerWaalsContact CA-O 3.31Å; L43-T96 WeakPolarHBondContact CA-O 3.34Å; M44-T96 HydrophobicContact CB-CG2 4.32Å; M44-T96 PolarHBondContact N-O 2.89Å; M44-T96 PolarHBondContact O-N 2.74Å; T96-F110 HydrophobicContact CG2-CD2 3.88Å; T96-F110 HydrophobicContact CG2-CE2 4.22Å; T96-S113 WeakPolarHBondContact OG1-CB 3.06Å; T96-S113 PolarHBondContact OG1-OG 2.68Å; T96-V115 WeakPolarHBondContact CB-O 3.31Å; T96-V115 PolarHBondContact OG1-O 2.82Å
97E93.2Very high92.9Very high29 Ų2952.1 Ų52.114%0.13627%0.269CS..EExtended strand (participates in β ladder)trans-65.8138.6170.1-61.7-166.2162.600110P8 L43 W109P8-E97 HydrophobicContact CB-CG 3.74Å; L43-E97 HydrophobicContact CD2-CG 4.44Å; E97-W109 PolarHBondContact O-NE1 2.83Å
98A92Very high93.6Very high12 Ų1251.9 Ų51.910%0.09927%0.267CS..  trans-109146.4171.600000109.3R42 M44 H102R42-A98 HydrophobicContact CB-CB 4.32Å; R42-A98 HydrophobicContact CG-CB 3.93Å; R42-A98 PolarHBondContact O-N 2.8Å; M44-A98 HydrophobicContact CB-CB 4.04Å; M44-A98 HydrophobicContact CE-CB 4.39Å; A98-H102 HydrophobicContact CB-CB 4.19Å
99T88.5Confident93.6Very high44 Ų4452.3 Ų52.327%0.2726%0.263SS..  trans-73.6163.3169.573.70000110.6R42 N101 H102 W109R42-T99 WeakPolarHBondContact CD-O 3.39Å; T99-N101 PolarHBondContact O-N 2.86Å; T99-N101 VanDerWaalsContact O-N 3.14Å; T99-H102 PolarHBondContact O-N 2.91Å; T99-H102 VanDerWaalsContact O-N 3.13Å; T99-H102 PolarHBondContact OG1-CE1 2.83Å; T99-H102 PolarHBondContact OG1-ND1 2.86Å; T99-W109 HydrophobicContact CG2-CH2 3.48Å; T99-W109 VanDerWaalsContact CG2-CH2 3.48Å; T99-W109 HydrophobicContact CG2-CZ2 3.74Å; T99-W109 HydrophobicContact CG2-CZ3 4.14Å
100E85.3Confident93.5Very high166 Ų16652.3 Ų52.378%0.77626%0.262SS*.THydrogen-bonded Turntrans-60.7-23.4179.2-66.1-178.3174.300113.4H102E100-H102 VanDerWaalsContact C-N 3.32Å; E100-H102 PolarHBondContact O-N 2.83Å
101N87.5Confident93.3Very high149 Ų14955.5 Ų55.580%0.79728%0.282SS*.THydrogen-bonded Turntrans-79.1-9.8179.7-62.1-16.9000114T99 D103T99-N101 PolarHBondContact O-N 2.86Å; T99-N101 VanDerWaalsContact O-N 3.14Å; N101-D103 PolarHBondContact O-N 2.8Å
102H90.7Very high92.8Very high26 Ų2662.5 Ų62.512%0.1231%0.312CS..  trans-91.186.7179.7-69.596.9000110.7R42 M44 A98 T99 E100 H104 D106 W109R42-H102 PolarHBondContact NH1-O 2.88Å; M44-H102 HydrophobicContact CE-CB 3.88Å; A98-H102 HydrophobicContact CB-CB 4.19Å; T99-H102 PolarHBondContact O-N 2.91Å; T99-H102 VanDerWaalsContact O-N 3.13Å; T99-H102 PolarHBondContact OG1-CE1 2.83Å; T99-H102 PolarHBondContact OG1-ND1 2.86Å; E100-H102 VanDerWaalsContact C-N 3.32Å; E100-H102 PolarHBondContact O-N 2.83Å; H102-H104 VanDerWaalsContact C-N 3.31Å; H102-D106 IonicContact CD2-OD2 2.67Å; H102-D106 IonicContact NE2-OD2 2.78Å; H102-W109 AromaticContact CE1-CD2 3.52Å; H102-W109 AromaticContact CE1-CE3 3.55Å; H102-W109 AromaticContact CE1-CG 3.86Å; H102-W109 AromaticContact NE2-CD2 3.84Å; H102-W109 AromaticContact NE2-CE3 3.94Å; H102-W109 AromaticContact NE2-CG 3.75Å
103D90.2Very high92.2Very high104 Ų10462.9 Ų62.956%0.55632%0.316SS*.SBendtrans-79.7-16.3172.3-72.9-34.4000113.9R42 N101R42-D103 IonicContact CZ-OD1 3.93Å; R42-D103 IonicContact NH1-OD1 3.57Å; R42-D103 PolarHBondContact NH1-OD1 2.78Å; R42-D103 IonicContact NH2-OD1 3.98Å; R42-D103 PolarHBondContact NH2-OD1 2.78Å; N101-D103 PolarHBondContact O-N 2.8Å
104H94.6Very high91.1Very high155 Ų15574.7 Ų74.772%0.71836%0.361SS*.SBendtrans-127.9159.5179.6-61.356.3000108.8H102 D106H102-H104 VanDerWaalsContact C-N 3.31Å; H104-D106 PolarHBondContact O-N 2.77Å
105F95.9Very high90.2Very high34 Ų3475.8 Ų75.815%0.14937%0.368CS..  trans-63.9125.4175.3-175.4-81.7000110.1M44 W45 R46 K61 E107 F110M44-F105 HydrophobicContact CG-CD2 3.33Å; M44-F105 HydrophobicContact CG-CE2 3.58Å; M44-F105 HydrophobicContact CG-CG 4.09Å; M44-F105 HydrophobicContact SD-CD2 3.89Å; M44-F105 HydrophobicContact SD-CE2 4.04Å; M44-F105 HydrophobicContact SD-CG 4.17Å; M44-F105 HydrophobicContact SD-CZ 4.44Å; W45-F105 VanDerWaalsContact O-CD2 3.26Å; W45-F105 WeakPolarHBondContact O-CD2 3.47Å; W45-F105 VanDerWaalsContact O-CE2 3.23Å; W45-F105 WeakPolarHBondContact O-CE2 3.42Å; R46-F105 HydrophobicContact CB-CE2 4.12Å; R46-F105 HydrophobicContact CB-CZ 4.37Å; K61-F105 HydrophobicContact CB-CD1 4.48Å; K61-F105 HydrophobicContact CB-CD2 3.7Å; K61-F105 HydrophobicContact CB-CE2 3.95Å; K61-F105 HydrophobicContact CB-CG 3.98Å; K61-F105 HydrophobicContact CB-CZ 4.45Å; K61-F105 HydrophobicContact CD-CB 4.44Å; K61-F105 HydrophobicContact CD-CD1 3.53Å; K61-F105 HydrophobicContact CD-CD2 4.27Å; K61-F105 HydrophobicContact CD-CE1 3.74Å; K61-F105 HydrophobicContact CD-CE2 4.44Å; K61-F105 HydrophobicContact CD-CG 3.81Å; K61-F105 HydrophobicContact CD-CZ 4.2Å; K61-F105 HydrophobicContact CG-CB 4.17Å; K61-F105 HydrophobicContact CG-CD1 4.13Å; K61-F105 HydrophobicContact CG-CD2 4.14Å; K61-F105 HydrophobicContact CG-CG 3.87Å; F105-E107 HydrophobicContact CE1-CB 4.13Å; F105-E107 VanDerWaalsContact CE1-OE2 3.27Å; F105-E107 WeakPolarHBondContact CE1-OE2 3.34Å; F105-F110 HydrophobicContact CE1-CB 4.28Å; F105-F110 HydrophobicContact CE2-CB 4.29Å; F105-F110 AromaticContact CE2-CD2 3.61Å; F105-F110 HydrophobicContact CE2-CD2 3.61Å; F105-F110 HydrophobicContact CE2-CE2 4.07Å; F105-F110 AromaticContact CE2-CG 3.96Å; F105-F110 HydrophobicContact CE2-CG 3.96Å; F105-F110 HydrophobicContact CZ-CB 3.72Å; F105-F110 HydrophobicContact CZ-CD1 4.18Å; F105-F110 AromaticContact CZ-CD2 3.79Å; F105-F110 HydrophobicContact CZ-CD2 3.79Å; F105-F110 HydrophobicContact CZ-CE2 4.45Å; F105-F110 AromaticContact CZ-CG 3.61Å; F105-F110 HydrophobicContact CZ-CG 3.61Å
106D95.3Very high89.7Confident61 Ų6177.9 Ų77.933%0.32639%0.386SS..  trans-110.5111.5175.8-178.3-31.8000108.9M44 H102 H104 D108 W109 F110M44-D106 HydrophobicContact CE-CB 3.83Å; M44-D106 VanDerWaalsContact CE-N 3.34Å; M44-D106 HydrophobicContact SD-CB 4.31Å; M44-D106 PolarHBondContact SD-N 2.8Å; H102-D106 IonicContact CD2-OD2 2.67Å; H102-D106 IonicContact NE2-OD2 2.78Å; H104-D106 PolarHBondContact O-N 2.77Å; D106-D108 VanDerWaalsContact C-N 3.31Å; D106-D108 PolarHBondContact O-N 2.84Å; D106-D108 WeakPolarHBondContact OD1-CA 3.39Å; D106-D108 VanDerWaalsContact OD1-CB 3.31Å; D106-D108 WeakPolarHBondContact OD1-CB 3.17Å; D106-D108 PolarHBondContact OD1-N 2.94Å; D106-W109 HydrophobicContact CB-CB 3.82Å; D106-W109 PolarHBondContact O-N 3.06Å; D106-W109 PolarHBondContact OD1-N 2.87Å; D106-F110 WeakPolarHBondContact O-CB 3.28Å; D106-F110 PolarHBondContact O-N 3.14Å
107E94.6Very high89.7Confident76 Ų7681.2 Ų81.236%0.35540%0.399SS..Hα-helixtrans-66.6-34.4-177.1-165.774.7-132.400112.4R46 K61 F105 T111R46-E107 IonicContact NH1-OE1 3.99Å; K61-E107 IonicContact NZ-OE2 2.8Å; K61-E107 PolarHBondContact NZ-OE2 2.9Å; F105-E107 HydrophobicContact CE1-CB 4.13Å; F105-E107 VanDerWaalsContact CE1-OE2 3.27Å; F105-E107 WeakPolarHBondContact CE1-OE2 3.34Å; E107-T111 VanDerWaalsContact O-CB 3.24Å; E107-T111 WeakPolarHBondContact O-CB 3.37Å; E107-T111 PolarHBondContact O-N 2.65Å; E107-T111 PolarHBondContact O-OG1 3.26Å
108D93.7Very high89.8Confident97 Ų9788.4 Ų88.452%0.51942%0.424SS..Hα-helixtrans-69.7-46.3179.8-98.631.8000110D106 K112D106-D108 VanDerWaalsContact C-N 3.31Å; D106-D108 PolarHBondContact O-N 2.84Å; D106-D108 WeakPolarHBondContact OD1-CA 3.39Å; D106-D108 VanDerWaalsContact OD1-CB 3.31Å; D106-D108 WeakPolarHBondContact OD1-CB 3.17Å; D106-D108 PolarHBondContact OD1-N 2.94Å; D108-K112 VanDerWaalsContact O-CB 3.25Å; D108-K112 WeakPolarHBondContact O-CB 3.46Å; D108-K112 WeakPolarHBondContact O-CD 3.4Å; D108-K112 WeakPolarHBondContact O-CG 3.2Å; D108-K112 PolarHBondContact O-N 3.24Å; D108-K112 IonicContact OD2-NZ 3.14Å; D108-K112 PolarHBondContact OD2-NZ 3.45Å
109W90.3Very high90Very high64 Ų6489.7 Ų89.724%0.24243%0.428CS..Hα-helixtrans-57.7-52.3173.5178.8-92.5000111.1H4 M44 E97 T99 H102 D106 T111 K112 S113H4-W109 AromaticContact CE1-CZ2 3.85Å; H4-W109 AromaticContact NE2-CH2 3.34Å; H4-W109 VanDerWaalsContact NE2-CH2 3.34Å; H4-W109 WeakPolarHBondContact NE2-CH2 3.41Å; H4-W109 AromaticContact NE2-CZ2 3.56Å; M44-W109 HydrophobicContact CE-CB 4.46Å; M44-W109 HydrophobicContact CE-CG 4.36Å; E97-W109 PolarHBondContact O-NE1 2.83Å; T99-W109 HydrophobicContact CG2-CH2 3.48Å; T99-W109 VanDerWaalsContact CG2-CH2 3.48Å; T99-W109 HydrophobicContact CG2-CZ2 3.74Å; T99-W109 HydrophobicContact CG2-CZ3 4.14Å; H102-W109 AromaticContact CE1-CD2 3.52Å; H102-W109 AromaticContact CE1-CE3 3.55Å; H102-W109 AromaticContact CE1-CG 3.86Å; H102-W109 AromaticContact NE2-CD2 3.84Å; H102-W109 AromaticContact NE2-CE3 3.94Å; H102-W109 AromaticContact NE2-CG 3.75Å; D106-W109 HydrophobicContact CB-CB 3.82Å; D106-W109 PolarHBondContact O-N 3.06Å; D106-W109 PolarHBondContact OD1-N 2.87Å; W109-T111 VanDerWaalsContact C-N 3.32Å; W109-T111 PolarHBondContact O-N 2.84Å; W109-K112 PolarHBondContact O-N 2.83Å; W109-S113 PolarHBondContact O-N 2.79Å
110F93.1Very high90.4Very high10 Ų1091.7 Ų91.74%0.04444%0.437CS..Hα-helixtrans-59.1-45-176.7-165.3-87.1000111.7M44 R46 E94 T96 F105 D106 S113M44-F110 HydrophobicContact CB-CD2 4.17Å; M44-F110 HydrophobicContact CG-CD2 3.83Å; M44-F110 WeakPolarHBondContact O-CE2 3.23Å; M44-F110 HydrophobicContact SD-CB 3.93Å; M44-F110 HydrophobicContact SD-CD2 4.04Å; R46-F110 HydrophobicContact CG-CE1 3.95Å; R46-F110 HydrophobicContact CG-CZ 3.79Å; E94-F110 HydrophobicContact CB-CE1 4.31Å; E94-F110 HydrophobicContact CB-CZ 3.79Å; T96-F110 HydrophobicContact CG2-CD2 3.88Å; T96-F110 HydrophobicContact CG2-CE2 4.22Å; F105-F110 HydrophobicContact CE1-CB 4.28Å; F105-F110 HydrophobicContact CE2-CB 4.29Å; F105-F110 AromaticContact CE2-CD2 3.61Å; F105-F110 HydrophobicContact CE2-CD2 3.61Å; F105-F110 HydrophobicContact CE2-CE2 4.07Å; F105-F110 AromaticContact CE2-CG 3.96Å; F105-F110 HydrophobicContact CE2-CG 3.96Å; F105-F110 HydrophobicContact CZ-CB 3.72Å; F105-F110 HydrophobicContact CZ-CD1 4.18Å; F105-F110 AromaticContact CZ-CD2 3.79Å; F105-F110 HydrophobicContact CZ-CD2 3.79Å; F105-F110 HydrophobicContact CZ-CE2 4.45Å; F105-F110 AromaticContact CZ-CG 3.61Å; F105-F110 HydrophobicContact CZ-CG 3.61Å; D106-F110 WeakPolarHBondContact O-CB 3.28Å; D106-F110 PolarHBondContact O-N 3.14Å; F110-S113 PolarHBondContact O-N 3.3Å
111T90.6Very high91Very high98 Ų9883.8 Ų83.860%0.60140%0.4SS*.Hα-helixtrans-72.2-35.7-177.9-55.90000112.5E107 W109 S113E107-T111 VanDerWaalsContact O-CB 3.24Å; E107-T111 WeakPolarHBondContact O-CB 3.37Å; E107-T111 PolarHBondContact O-N 2.65Å; E107-T111 PolarHBondContact O-OG1 3.26Å; W109-T111 VanDerWaalsContact C-N 3.32Å; W109-T111 PolarHBondContact O-N 2.84Å; T111-S113 VanDerWaalsContact C-N 3.33Å
112K88.9Confident91.5Very high146 Ų14680 Ų8064%0.63538%0.38SS*.Hα-helixtrans-77.9-19.2178.7-69.8167.2-171.9158.20112.5D108 W109 R114D108-K112 VanDerWaalsContact O-CB 3.25Å; D108-K112 WeakPolarHBondContact O-CB 3.46Å; D108-K112 WeakPolarHBondContact O-CD 3.4Å; D108-K112 WeakPolarHBondContact O-CG 3.2Å; D108-K112 PolarHBondContact O-N 3.24Å; D108-K112 IonicContact OD2-NZ 3.14Å; D108-K112 PolarHBondContact OD2-NZ 3.45Å; W109-K112 PolarHBondContact O-N 2.83Å; K112-R114 PolarHBondContact O-N 2.92Å; K112-R114 VanDerWaalsContact O-N 3.15Å
113S84Confident91.7Very high26 Ų2678.8 Ų78.818%0.18237%0.374CS..  trans-64.8114.7176.3-172.90000110.7T96 W109 F110 T111 V115T96-S113 WeakPolarHBondContact OG1-CB 3.06Å; T96-S113 PolarHBondContact OG1-OG 2.68Å; W109-S113 PolarHBondContact O-N 2.79Å; F110-S113 PolarHBondContact O-N 3.3Å; T111-S113 VanDerWaalsContact C-N 3.33Å; S113-V115 PolarHBondContact O-N 2.78Å; S113-V115 PolarHBondContact OG-N 3.12Å; S113-V115 PolarHBondContact OG-O 2.75Å
114R75.2Confident91.9Very high248 Ų24874 Ų7494%0.93635%0.349SS*.SBendtrans-73.4-14.7175.9-65.7-173.4176-164-1.5112.9K112K112-R114 PolarHBondContact O-N 2.92Å; K112-R114 VanDerWaalsContact O-N 3.15Å
115V77.8Confident91.8Very high37 Ų3767.5 Ų67.522%0.22432%0.319CS..  trans-116.888.9-173.2-171.80000108.5H4 L7 T96 S113H4-V115 WeakPolarHBondContact O-CG2 3.33Å; L7-V115 HydrophobicContact CB-CG1 4.46Å; L7-V115 HydrophobicContact CD1-CG1 3.87Å; T96-V115 WeakPolarHBondContact CB-O 3.31Å; T96-V115 PolarHBondContact OG1-O 2.82Å; S113-V115 PolarHBondContact O-N 2.78Å; S113-V115 PolarHBondContact OG-N 3.12Å; S113-V115 PolarHBondContact OG-O 2.75Å
116A86.4Confident91.5Very high49 Ų4968.5 Ų68.541%0.40533%0.326SS..  trans-117.2142.3173.900000109.8W95W95-A116 CarbonylContact O-C 3.54Å; W95-A116 VanDerWaalsContact O-CA 3.28Å; W95-A116 WeakPolarHBondContact O-CA 3.31Å
117R94.9Very high90.7Very high74 Ų7473.8 Ų73.828%0.27936%0.363SS..EExtended strand (participates in β ladder)trans-97.7157163.5-80.7-173.4-172.2-99.47.5109.5L7 P8 N10 E94 W95L7-R117 HydrophobicContact CD1-CG 3.86Å; L7-R117 HydrophobicContact CD2-CG 4.47Å; L7-R117 HydrophobicContact CG-CG 3.99Å; P8-R117 HydrophobicContact CG-CB 4.23Å; P8-R117 HydrophobicContact CG-CG 3.9Å; P8-R117 WeakPolarHBondContact O-CD 3.21Å; P8-R117 PolarHBondContact O-NE 3.12Å; P8-R117 PolarHBondContact O-NH2 3.14Å; N10-R117 WeakPolarHBondContact OD1-CD 3.32Å; N10-R117 PolarHBondContact OD1-NE 2.88Å; N10-R117 PolarHBondContact OD1-NH1 2.87Å; E94-R117 VanDerWaalsContact CA-O 3.31Å; E94-R117 WeakPolarHBondContact CA-O 3.49Å; W95-R117 HydrophobicContact CD2-CB 3.85Å; W95-R117 HydrophobicContact CE3-CB 4.23Å; W95-R117 HydrophobicContact CH2-CB 3.74Å; W95-R117 HydrophobicContact CZ2-CB 3.31Å; W95-R117 VanDerWaalsContact CZ2-CD 3.44Å; W95-R117 HydrophobicContact CZ2-CG 4.05Å; W95-R117 HydrophobicContact CZ3-CB 4.16Å; W95-R117 PolarHBondContact N-O 3.36Å; W95-R117 PolarHBondContact O-N 3.04Å
118R95.5Very high90.5Very high180 Ų18073.7 Ų73.768%0.67936%0.363SS*.EExtended strand (participates in β ladder)trans-135.5148172.166.3178.364-177.5-3.5110.2I93 E94I93-R118 CarbonylContact O-C 3.55Å; I93-R118 WeakPolarHBondContact O-CA 3.39Å; E94-R118 HydrophobicContact CG-CB 4.04Å; E94-R118 IonicContact OE1-CZ 3.59Å; E94-R118 IonicContact OE1-NE 3.36Å; E94-R118 IonicContact OE1-NH2 2.84Å
119K96.8Very high90.4Very high39 Ų3972.4 Ų72.417%0.1736%0.355CS..EExtended strand (participates in β ladder)trans-138.9151.5164.770.8170.5-77176.40109.9T13 A16 D17 I93 W95T13-K119 HydrophobicContact CG2-CD 4.16Å; T13-K119 PolarHBondContact OG1-NZ 2.91Å; A16-K119 PolarHBondContact O-NZ 2.91Å; D17-K119 IonicContact OD1-NZ 2.76Å; I93-K119 HydrophobicContact CB-CG 3.9Å; I93-K119 HydrophobicContact CD1-CD 4.14Å; I93-K119 HydrophobicContact CD1-CG 4.04Å; I93-K119 HydrophobicContact CG1-CG 4.2Å; I93-K119 PolarHBondContact N-O 2.72Å; I93-K119 PolarHBondContact O-N 3.48Å; W95-K119 HydrophobicContact CH2-CB 4.1Å; W95-K119 HydrophobicContact CH2-CD 4.46Å; W95-K119 HydrophobicContact CH2-CG 4.07Å; W95-K119 HydrophobicContact CZ3-CB 4.07Å; W95-K119 HydrophobicContact CZ3-CD 4.48Å; W95-K119 HydrophobicContact CZ3-CG 3.78Å
120N97.4Very high90.4Very high87 Ų8772.9 Ų72.947%0.46536%0.361SS..EExtended strand (participates in β ladder)trans-106.3147174.1-71.8-18.5000109.4T90 L91 T92T90-N120 HydrophobicContact CG2-CB 3.69Å; L91-N120 CarbonylContact O-C 3.54Å; L91-N120 WeakPolarHBondContact O-CA 3.31Å; T92-N120 WeakPolarHBondContact CG2-OD1 3.12Å; T92-N120 PolarHBondContact OG1-OD1 2.94Å
121I97.7Very high90.2Very high0 Ų076.6 Ų76.60%038%0.38CS..EExtended strand (participates in β ladder)trans-125.8124.1169.3-61-171.4000106.6T13 D17 I19 L33 L91 I93T13-I121 HydrophobicContact CG2-CD1 3.94Å; T13-I121 WeakPolarHBondContact OG1-CD1 3.29Å; D17-I121 CarbonylContact O-C 3.53Å; D17-I121 WeakPolarHBondContact O-CA 3.23Å; I19-I121 HydrophobicContact CD1-CG2 4.15Å; I19-I121 HydrophobicContact CG1-CG2 3.98Å; L33-I121 HydrophobicContact CD1-CD1 3.52Å; L33-I121 HydrophobicContact CD2-CD1 3.84Å; L33-I121 HydrophobicContact CG-CD1 4.3Å; L91-I121 HydrophobicContact CB-CB 4.41Å; L91-I121 PolarHBondContact N-O 2.87Å; L91-I121 PolarHBondContact O-N 3.07Å; I93-I121 HydrophobicContact CD1-CD1 3.7Å; I93-I121 HydrophobicContact CD1-CG1 4.24Å
122N97.1Very high90.2Very high70 Ų7075.3 Ų75.337%0.37437%0.366SS..EExtended strand (participates in β ladder)trans-72.3141.7176.1-69.7-10.8000109.6D17 E18 I19 T88 D89D17-N122 PolarHBondContact O-N 3.4Å; E18-N122 CarbonylContact C-O 3.59Å; E18-N122 WeakPolarHBondContact CA-O 3.37Å; E18-N122 HydrophobicContact CB-CB 4.45Å; E18-N122 HydrophobicContact CG-CB 4.1Å; I19-N122 PolarHBondContact N-O 2.79Å; T88-N122 HydrophobicContact CG2-CB 3.71Å; D89-N122 CarbonylContact O-C 3.57Å
123V96.5Very high90.3Very high0 Ų070.5 Ų70.50%035%0.348CS..EExtended strand (participates in β ladder)trans-115.3102.9169-173.30000107.1I19 L21 Y55 T88 D89 L91I19-V123 HydrophobicContact CB-CG2 4.38Å; I19-V123 HydrophobicContact CG2-CG1 4.23Å; I19-V123 CarbonylContact O-C 3.58Å; I19-V123 WeakPolarHBondContact O-CA 3.25Å; L21-V123 HydrophobicContact CD1-CG1 3.73Å; L21-V123 HydrophobicContact CG-CG1 4.17Å; Y55-V123 HydrophobicContact CE1-CB 4.46Å; Y55-V123 HydrophobicContact CE1-CG1 3.86Å; Y55-V123 WeakPolarHBondContact OH-CG1 3.31Å; T88-V123 WeakPolarHBondContact CA-O 3.4Å; D89-V123 HydrophobicContact CB-CB 4.37Å; D89-V123 PolarHBondContact N-O 2.84Å; D89-V123 PolarHBondContact O-N 3.42Å; L91-V123 HydrophobicContact CD1-CG2 4.1Å; L91-V123 HydrophobicContact CG-CG2 3.75Å
124S93.9Very high90.7Very high4 Ų473.7 Ų73.73%0.02836%0.36CS..EExtended strand (participates in β ladder)trans-103.9150.8-175.9-66.40000110.7E18 I19 W20 L21 T88E18-S124 VanDerWaalsContact OE1-CB 3.31Å; E18-S124 WeakPolarHBondContact OE1-CB 3.44Å; E18-S124 PolarHBondContact OE1-OG 2.6Å; I19-S124 PolarHBondContact O-N 2.98Å; W20-S124 WeakPolarHBondContact CA-O 3.03Å; L21-S124 PolarHBondContact N-O 3.14Å; T88-S124 PolarHBondContact OG1-OG 3.42Å
125F92.1Very high91.9Very high17 Ų1760.3 Ų60.38%0.07532%0.316CS..EExtended strand (participates in β ladder)trans-112.4122.5-179.7-61.8-87.6000110.2L21 C25 Y55 F79 F81 N87L21-F125 HydrophobicContact CB-CD1 3.87Å; L21-F125 HydrophobicContact CB-CE1 3.9Å; L21-F125 HydrophobicContact CD1-CE1 4.02Å; L21-F125 HydrophobicContact CD1-CZ 4.47Å; L21-F125 CarbonylContact O-C 3.53Å; L21-F125 VanDerWaalsContact O-CA 3.29Å; L21-F125 WeakPolarHBondContact O-CA 3.18Å; C25-F125 HydrophobicContact CB-CE1 4.37Å; Y55-F125 WeakPolarHBondContact OH-CZ 3.49Å; F79-F125 AromaticContact CE1-CE1 3.79Å; F79-F125 HydrophobicContact CE1-CE1 3.79Å; F79-F125 HydrophobicContact CE1-CE2 4.3Å; F79-F125 AromaticContact CE1-CZ 3.54Å; F79-F125 HydrophobicContact CE1-CZ 3.54Å; F79-F125 HydrophobicContact CZ-CD2 4.4Å; F79-F125 AromaticContact CZ-CE1 3.93Å; F79-F125 HydrophobicContact CZ-CE1 3.93Å; F79-F125 AromaticContact CZ-CE2 3.78Å; F79-F125 HydrophobicContact CZ-CE2 3.78Å; F79-F125 AromaticContact CZ-CZ 3.49Å; F79-F125 HydrophobicContact CZ-CZ 3.49Å; F79-F125 VanDerWaalsContact CZ-CZ 3.49Å; F81-F125 HydrophobicContact CE1-CB 3.88Å; F81-F125 HydrophobicContact CE1-CD1 4.46Å; F81-F125 HydrophobicContact CE1-CD2 4.46Å; F81-F125 HydrophobicContact CE1-CG 4.03Å; F81-F125 HydrophobicContact CZ-CB 3.94Å; F81-F125 AromaticContact CZ-CD1 3.69Å; F81-F125 HydrophobicContact CZ-CD1 3.69Å; F81-F125 HydrophobicContact CZ-CD2 4.24Å; F81-F125 HydrophobicContact CZ-CE1 4.22Å; F81-F125 AromaticContact CZ-CG 3.68Å; F81-F125 HydrophobicContact CZ-CG 3.68Å; N87-F125 PolarHBondContact O-N 3.16Å
126N89.1Confident93.1Very high56 Ų5662.3 Ų62.330%0.29932%0.324SS..EExtended strand (participates in β ladder)trans-73.4148.9169.568.329.3000110W20 L21 N22 G23W20-N126 HydrophobicContact CE3-CB 4.15Å; W20-N126 HydrophobicContact CZ3-CB 4.38Å; L21-N126 PolarHBondContact O-N 3.14Å; N22-N126 VanDerWaalsContact CA-OD1 3.23Å; N22-N126 WeakPolarHBondContact CA-OD1 3.27Å; N22-N126 PolarHBondContact OD1-ND2 2.9Å; N22-N126 PolarHBondContact OD1-OD1 3.15Å; N22-N126 VanDerWaalsContact OD1-OD1 3.12Å; G23-N126 WeakPolarHBondContact CA-O 3.34Å; G23-N126 PolarHBondContact N-O 3.01Å
127P79.9Confident93.7Very high171 Ų17163.5 Ų63.5100%1.1132%0.316SS*.  trans-74.40175.331.4-34.9000113.2

Retrieved 127 of 127 residues in 268.6 ms (Link to these results)

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