G4LXE7_SCHMA Loading...

B9 domain-containing protein 2

AlphaFold DB , UniProt , Accession G4LXE7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 175 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
1M87Confident95.6Very high125 Ų12539.4 Ų39.462%0.61620%0.198SC*.  0156.60-67.3-177.5-16800107.4K68M1-K68 HydrophobicContact CE-CD 4.49Å; M1-K68 VanDerWaalsContact CE-CE 3.42Å; M1-K68 HydrophobicContact CE-CG 4.35Å; M1-K68 HydrophobicContact SD-CG 4.12Å
2A93Very high95.8Very high5 Ų536.3 Ų36.34%0.04118%0.183CC..EExtended strand (participates in β ladder)trans-78.3146169.600000108.7A66 T67 R166 F168 F171A2-A66 WeakPolarHBondContact O-CA 3.26Å; A2-T67 HydrophobicContact CB-CG2 3.76Å; A2-T67 PolarHBondContact N-O 2.81Å; A2-T67 PolarHBondContact O-N 2.87Å; A2-R166 WeakPolarHBondContact CA-O 3.46Å; A2-F168 HydrophobicContact CB-CD1 4.24Å; A2-F168 HydrophobicContact CB-CD2 3.77Å; A2-F168 HydrophobicContact CB-CE1 4.27Å; A2-F168 HydrophobicContact CB-CE2 3.83Å; A2-F168 HydrophobicContact CB-CG 4Å; A2-F168 HydrophobicContact CB-CZ 4.07Å; A2-F171 HydrophobicContact CB-CD2 3.94Å; A2-F171 HydrophobicContact CB-CE2 4.11Å
3E95.1Very high95.9Very high35 Ų3533.5 Ų33.516%0.16417%0.169CC..EExtended strand (participates in β ladder)trans-126.8137.9-177.7-64.5166.2-162.300109.9H64 F65 R166 F168E3-H64 IonicContact OE2-NE2 3.63Å; E3-F65 CarbonylContact C-O 3.55Å; E3-F65 WeakPolarHBondContact CA-O 3.49Å; E3-R166 HydrophobicContact CB-CB 4.21Å; E3-R166 PolarHBondContact N-O 3.39Å; E3-R166 PolarHBondContact O-N 3.31Å; E3-R166 IonicContact OE1-NH1 3.45Å; E3-R166 PolarHBondContact OE1-NH1 2.96Å; E3-R166 WeakPolarHBondContact OE2-CD 3.49Å; E3-R166 IonicContact OE2-CZ 2.63Å; E3-R166 IonicContact OE2-NH1 2.92Å; E3-R166 PolarHBondContact OE2-NH1 2.83Å; E3-F168 VanDerWaalsContact O-CE2 3.3Å; E3-F168 WeakPolarHBondContact O-CE2 3.4Å
4L95.8Very high96Very high0 Ų035.3 Ų35.30%017%0.173CC..EExtended strand (participates in β ladder)trans-121.6120.3178.3175.473.4000107.9W33 F65 W73 P74 I99 V163 T165 F168L4-W33 HydrophobicContact CB-CZ3 3.83Å; L4-W33 HydrophobicContact CD2-CH2 4.15Å; L4-W33 HydrophobicContact CD2-CZ3 3.69Å; L4-W33 HydrophobicContact CG-CZ3 4.42Å; L4-F65 HydrophobicContact CB-CB 4.29Å; L4-F65 HydrophobicContact CD2-CD2 4.34Å; L4-F65 PolarHBondContact N-O 3.38Å; L4-F65 PolarHBondContact O-N 2.72Å; L4-W73 HydrophobicContact CD1-CH2 4.21Å; L4-W73 HydrophobicContact CD1-CZ2 4.22Å; L4-W73 HydrophobicContact CD2-CH2 3.96Å; L4-W73 HydrophobicContact CD2-CZ2 3.69Å; L4-P74 HydrophobicContact CD2-CG 4.27Å; L4-I99 HydrophobicContact CD2-CG2 4.29Å; L4-V163 HydrophobicContact CD1-CG1 3.48Å; L4-V163 VanDerWaalsContact CD1-CG1 3.48Å; L4-T165 HydrophobicContact CD1-CG2 3.82Å; L4-F168 HydrophobicContact CB-CE2 4.38Å; L4-F168 HydrophobicContact CB-CZ 4.46Å
5H96.7Very high95.9Very high61 Ų6136.6 Ų36.628%0.28220%0.2SC..EExtended strand (participates in β ladder)trans-106.9124.5173.3-72.8-139.3000107.4L63 H64 V163 V164H5-L63 CarbonylContact C-O 3.57Å; H5-L63 WeakPolarHBondContact CA-O 3.23Å; H5-H64 AromaticContact CD2-CD2 3.18Å; H5-H64 PolarHBondContact CD2-CD2 3.04Å; H5-H64 AromaticContact CD2-CG 3.81Å; H5-H64 AromaticContact CD2-NE2 3.56Å; H5-H64 AromaticContact CE1-CD2 3.81Å; H5-H64 AromaticContact CE1-CE1 3.86Å; H5-H64 AromaticContact CE1-CG 3.81Å; H5-H64 AromaticContact CE1-ND1 3.87Å; H5-H64 AromaticContact CE1-NE2 3.85Å; H5-H64 AromaticContact NE2-CD2 2.96Å; H5-H64 PolarHBondContact NE2-CD2 2.58Å; H5-H64 AromaticContact NE2-CE1 3.33Å; H5-H64 PolarHBondContact NE2-CE1 2.76Å; H5-H64 VanDerWaalsContact NE2-CE1 3.33Å; H5-H64 AromaticContact NE2-CG 3.42Å; H5-H64 AromaticContact NE2-ND1 3.64Å; H5-H64 AromaticContact NE2-NE2 2.91Å; H5-H64 PolarHBondContact NE2-NE2 3.06Å; H5-V163 CarbonylContact O-C 3.52Å; H5-V163 WeakPolarHBondContact O-CA 3.37Å; H5-V164 HydrophobicContact CB-CB 4.16Å; H5-V164 PolarHBondContact N-O 2.68Å; H5-V164 PolarHBondContact O-N 3.46Å
6C96.9Very high95.8Very high0 Ų035.8 Ų35.80%019%0.194CC..EExtended strand (participates in β ladder)trans-127110.4176.6176.70000108L63 I99 N162C6-L63 HydrophobicContact CB-CB 4.45Å; C6-L63 PolarHBondContact N-O 3.07Å; C6-L63 PolarHBondContact O-N 2.94Å; C6-I99 HydrophobicContact CB-CD1 4.09Å; C6-I99 HydrophobicContact CB-CG2 3.94Å; C6-N162 WeakPolarHBondContact CA-O 3.1Å
7F97.2Very high95.6Very high88 Ų8838.6 Ų38.639%0.38621%0.214SC..EExtended strand (participates in β ladder)trans-131.6154.418061.8-87.3000110.7I61 N162 V164F7-I61 CarbonylContact C-O 3.48Å; F7-I61 WeakPolarHBondContact CA-O 3.49Å; F7-N162 HydrophobicContact CD1-CB 4.36Å; F7-N162 HydrophobicContact CD2-CB 3.88Å; F7-N162 HydrophobicContact CE1-CB 3.98Å; F7-N162 HydrophobicContact CE2-CB 3.45Å; F7-N162 VanDerWaalsContact CE2-CB 3.45Å; F7-N162 HydrophobicContact CG-CB 4.31Å; F7-N162 HydrophobicContact CZ-CB 3.51Å; F7-N162 PolarHBondContact N-O 2.98Å; F7-N162 WeakPolarHBondContact O-CA 3.29Å; F7-N162 WeakPolarHBondContact O-CB 3.45Å; F7-N162 PolarHBondContact O-N 2.91Å; F7-V164 HydrophobicContact CE1-CG2 3.88Å; F7-V164 HydrophobicContact CZ-CG2 4.44Å
8G97.3Very high95.4Very high20 Ų2041.9 Ų41.921%0.20623%0.228CC..EExtended strand (participates in β ladder)trans155-141.2-174.900000110.9P60 I61 D160G8-P60 WeakPolarHBondContact O-CA 3.48Å; G8-I61 PolarHBondContact N-O 3.27Å; G8-I61 PolarHBondContact O-N 3.01Å; G8-D160 CarbonylContact C-O 3.5Å; G8-D160 WeakPolarHBondContact CA-O 3.25Å
9Q97.6Very high95.3Very high56 Ų5643.4 Ų43.426%0.26223%0.232SC..EExtended strand (participates in β ladder)trans-153.5151.1-176.358.4-173.3-19.400113.8L11 H59 L159 D160Q9-L11 PolarHBondContact O-N 2.98Å; Q9-H59 CarbonylContact C-O 3.58Å; Q9-H59 WeakPolarHBondContact CA-O 3.29Å; Q9-H59 WeakPolarHBondContact CB-O 3.14Å; Q9-L159 WeakPolarHBondContact O-CA 3.31Å; Q9-D160 HydrophobicContact CG-CB 4.1Å; Q9-D160 PolarHBondContact N-O 2.82Å; Q9-D160 PolarHBondContact O-N 3.49Å
10I97.8Very high95.2Very high0 Ų043.2 Ų43.20%023%0.231CC..EExtended strand (participates in β ladder)trans-77.5103.3157.9-48.2177.8000106.3W25 T44 F57 C58 H59 I61 F78 I157 L159I10-W25 HydrophobicContact CD1-CB 3.92Å; I10-W25 VanDerWaalsContact CD1-CD1 3.48Å; I10-W25 HydrophobicContact CD1-CG 3.72Å; I10-T44 HydrophobicContact CD1-CG2 4.17Å; I10-F57 HydrophobicContact CG2-CD2 3.83Å; I10-C58 WeakPolarHBondContact O-CA 3.49Å; I10-C58 PolarHBondContact O-N 3.5Å; I10-C58 VanDerWaalsContact O-N 3.1Å; I10-H59 HydrophobicContact CB-CB 4.31Å; I10-H59 PolarHBondContact N-O 2.68Å; I10-H59 PolarHBondContact O-N 3.18Å; I10-I61 HydrophobicContact CD1-CD1 4.18Å; I10-I61 HydrophobicContact CG1-CD1 3.51Å; I10-I61 HydrophobicContact CG1-CG1 4Å; I10-F78 HydrophobicContact CD1-CD1 4.25Å; I10-F78 HydrophobicContact CD1-CE1 3.85Å; I10-F78 HydrophobicContact CG1-CE1 4.19Å; I10-I157 HydrophobicContact CG2-CG2 3.75Å; I10-L159 HydrophobicContact CB-CD2 4.03Å; I10-L159 HydrophobicContact CG1-CD2 3.9Å; I10-L159 HydrophobicContact CG2-CD2 3.8Å
11L97.5Very high95.3Very high43 Ų4341.2 Ų41.223%0.22522%0.22CC..EExtended strand (participates in β ladder)trans-73.4-62.2-171.2-176.768000111Q9 F57 C58 T158Q9-L11 PolarHBondContact O-N 2.98Å; L11-F57 PolarHBondContact O-N 2.78Å; L11-C58 PolarHBondContact O-N 2.96Å; L11-T158 HydrophobicContact CB-CG2 4.42Å; L11-T158 WeakPolarHBondContact CB-O 3.38Å; L11-T158 HydrophobicContact CD2-CG2 4.01Å; L11-T158 PolarHBondContact N-O 2.98Å
12C97.3Very high95.8Very high2 Ų235.5 Ų35.51%0.01419%0.192CC..EExtended strand (participates in β ladder)trans-157167.6-175.665.40000113.2A55 Y56 I157 T158C12-A55 CarbonylContact C-O 3.52Å; C12-A55 WeakPolarHBondContact CA-O 3.4Å; C12-A55 WeakPolarHBondContact CB-O 3.4Å; C12-Y56 HydrophobicContact CB-CD1 3.7Å; C12-Y56 HydrophobicContact CB-CE1 4.01Å; C12-Y56 HydrophobicContact CB-CG 4.19Å; C12-I157 WeakPolarHBondContact O-CA 3.12Å; C12-T158 PolarHBondContact N-O 2.97Å; C12-T158 PolarHBondContact O-N 3.19Å
13A97.6Very high96Very high0 Ų035.3 Ų35.30%019%0.19CC..EExtended strand (participates in β ladder)trans-126.1143.9168.600000110.7F16 L21 K54 A55 F57 Y156 I157A13-F16 HydrophobicContact CB-CD2 4.36Å; A13-F16 HydrophobicContact CB-CE2 3.89Å; A13-L21 HydrophobicContact CB-CD1 4Å; A13-K54 WeakPolarHBondContact O-CA 3.49Å; A13-A55 PolarHBondContact N-O 3.08Å; A13-A55 PolarHBondContact O-N 3.05Å; A13-F57 HydrophobicContact CB-CE2 3.53Å; A13-F57 HydrophobicContact CB-CZ 3.67Å; A13-Y156 CarbonylContact C-O 3.56Å; A13-Y156 VanDerWaalsContact CA-O 3.28Å; A13-Y156 WeakPolarHBondContact CA-O 3.5Å; A13-I157 HydrophobicContact CB-CG1 4.43Å
14Y97Very high96Very high59 Ų5937.1 Ų37.123%0.23120%0.198CC..EExtended strand (participates in β ladder)trans-154.4164.2-178.266.6-88.2000112.9F16 K54 G155 Y156 T158Y14-F16 WeakPolarHBondContact O-CD2 3.5Å; Y14-K54 HydrophobicContact CD1-CD 4.36Å; Y14-K54 HydrophobicContact CG-CG 4.39Å; Y14-G155 CarbonylContact O-C 3.59Å; Y14-G155 WeakPolarHBondContact O-CA 3.41Å; Y14-Y156 AromaticContact CE2-CD2 3.94Å; Y14-Y156 HydrophobicContact CE2-CD2 3.94Å; Y14-Y156 HydrophobicContact CE2-CG 4.33Å; Y14-Y156 PolarHBondContact N-O 2.67Å; Y14-Y156 PolarHBondContact O-N 2.8Å; Y14-T158 WeakPolarHBondContact CE1-OG1 3.19Å
15G95.3Very high96.1Very high55 Ų5537.6 Ų37.657%0.56720%0.199SC*.SBendtrans78.522.9-179.800000114G155G15-G155 WeakPolarHBondContact O-CA 3.5Å
16F93.9Very high96Very high24 Ų2434.7 Ų34.711%0.10519%0.186CC..SBendtrans-97.7158.7174.6-67.7-83000111A13 Y14 Q18 L21 V80 Y92 T112 M154A13-F16 HydrophobicContact CB-CD2 4.36Å; A13-F16 HydrophobicContact CB-CE2 3.89Å; Y14-F16 WeakPolarHBondContact O-CD2 3.5Å; F16-Q18 PolarHBondContact O-N 3Å; F16-L21 HydrophobicContact CB-CD1 4.06Å; F16-L21 HydrophobicContact CB-CD2 4.38Å; F16-L21 HydrophobicContact CD2-CD1 3.53Å; F16-L21 HydrophobicContact CE2-CD1 4.28Å; F16-L21 HydrophobicContact CG-CD1 3.96Å; F16-V80 HydrophobicContact CD1-CG1 4.3Å; F16-V80 HydrophobicContact CD2-CG1 4.34Å; F16-V80 HydrophobicContact CE1-CB 3.99Å; F16-V80 HydrophobicContact CE1-CG1 3.89Å; F16-V80 HydrophobicContact CE1-CG2 4.32Å; F16-V80 HydrophobicContact CE2-CG1 3.97Å; F16-V80 HydrophobicContact CE2-CG2 4.34Å; F16-V80 HydrophobicContact CZ-CB 3.85Å; F16-V80 HydrophobicContact CZ-CG1 3.72Å; F16-V80 HydrophobicContact CZ-CG2 3.72Å; F16-Y92 HydrophobicContact CB-CD2 3.67Å; F16-Y92 HydrophobicContact CB-CE2 3.92Å; F16-Y92 AromaticContact CD1-CD2 3.67Å; F16-Y92 HydrophobicContact CD1-CD2 3.67Å; F16-Y92 HydrophobicContact CD1-CG 4.13Å; F16-Y92 AromaticContact CG-CD2 3.95Å; F16-Y92 HydrophobicContact CG-CD2 3.95Å; F16-T112 WeakPolarHBondContact CE1-OG1 3.4Å; F16-T112 HydrophobicContact CZ-CG2 4.05Å; F16-T112 VanDerWaalsContact CZ-OG1 3.27Å; F16-T112 WeakPolarHBondContact CZ-OG1 3.34Å; F16-M154 HydrophobicContact CD1-CB 4.29Å; F16-M154 HydrophobicContact CD1-CE 4.26Å; F16-M154 HydrophobicContact CE1-CB 3.93Å
17P91.8Very high95.9Very high84 Ų8436.1 Ų36.155%0.54519%0.194SC..SBendtrans-59.1-30.6-179.9-26.635.1000114.9M154P17-M154 HydrophobicContact CG-CE 4.04Å
18Q92.6Very high95.7Very high98 Ų9836.2 Ų36.246%0.45819%0.194SC..  trans-130.1156.7173.8-60.5-65.5-2000109.5F16 L21 H82 Y92F16-Q18 PolarHBondContact O-N 3Å; Q18-L21 WeakPolarHBondContact O-CD2 3.25Å; Q18-H82 VanDerWaalsContact CB-CE1 3.41Å; Q18-H82 WeakPolarHBondContact CB-CE1 3.5Å; Q18-Y92 HydrophobicContact CB-CE2 4.11Å; Q18-Y92 WeakPolarHBondContact CB-OH 3.44Å; Q18-Y92 WeakPolarHBondContact CG-OH 3.48Å; Q18-Y92 PolarHBondContact N-OH 3.16Å
19K92.8Very high95.6Very high69 Ų6936.9 Ų36.930%0.320%0.197SC..SBendtrans-98.2-16-172.964.5-171.7179.6164.20114.7L21 P49 L50 A55K19-L21 PolarHBondContact O-N 3.03Å; K19-P49 HydrophobicContact CB-CG 3.88Å; K19-P49 HydrophobicContact CD-CG 4.08Å; K19-P49 VanDerWaalsContact CD-O 3.3Å; K19-P49 WeakPolarHBondContact CD-O 3.5Å; K19-P49 WeakPolarHBondContact CE-O 3.36Å; K19-P49 HydrophobicContact CG-CG 4Å; K19-P49 PolarHBondContact NZ-O 3.31Å; K19-P49 WeakPolarHBondContact O-CD 3.03Å; K19-L50 PolarHBondContact NZ-O 3.37Å; K19-A55 WeakPolarHBondContact O-CB 3.12Å
20D94.7Very high95.3Very high40 Ų4035.2 Ų35.221%0.21420%0.196CC..  trans-78.891.8179.1-51.3-42.3000109.2D47 C48 H82 H83D20-D47 CarbonylContact C-O 3.56Å; D20-D47 VanDerWaalsContact CA-O 3.32Å; D20-D47 WeakPolarHBondContact CA-O 3.45Å; D20-C48 HydrophobicContact CB-CB 4.46Å; D20-C48 VanDerWaalsContact OD1-CA 3.25Å; D20-C48 WeakPolarHBondContact OD1-CA 3.2Å; D20-C48 VanDerWaalsContact OD1-CB 3.31Å; D20-C48 WeakPolarHBondContact OD1-CB 3.3Å; D20-H82 VanDerWaalsContact O-CA 3.31Å; D20-H82 WeakPolarHBondContact O-CA 3.37Å; D20-H82 PolarHBondContact O-ND1 2.9Å; D20-H83 WeakPolarHBondContact CB-O 3.21Å; D20-H83 PolarHBondContact O-N 2.78Å
21L96.8Very high95.1Very high2 Ų242 Ų421%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-123.6154.8-166.2-59.9175.9000111.6A13 F16 Q18 K19 V46 D47 A55 F57 V80 W81 H82 Y92A13-L21 HydrophobicContact CB-CD1 4Å; F16-L21 HydrophobicContact CB-CD1 4.06Å; F16-L21 HydrophobicContact CB-CD2 4.38Å; F16-L21 HydrophobicContact CD2-CD1 3.53Å; F16-L21 HydrophobicContact CE2-CD1 4.28Å; F16-L21 HydrophobicContact CG-CD1 3.96Å; Q18-L21 WeakPolarHBondContact O-CD2 3.25Å; K19-L21 PolarHBondContact O-N 3.03Å; L21-V46 WeakPolarHBondContact O-CA 3.36Å; L21-D47 PolarHBondContact N-O 3.13Å; L21-D47 PolarHBondContact O-N 2.85Å; L21-A55 HydrophobicContact CB-CB 3.81Å; L21-A55 HydrophobicContact CD1-CB 3.99Å; L21-A55 HydrophobicContact CG-CB 4.2Å; L21-F57 HydrophobicContact CB-CE1 4.09Å; L21-F57 HydrophobicContact CB-CZ 3.91Å; L21-F57 VanDerWaalsContact O-CE1 3.31Å; L21-F57 WeakPolarHBondContact O-CE1 3.24Å; L21-V80 HydrophobicContact CB-CG1 4.48Å; L21-V80 HydrophobicContact CD1-CG1 4.2Å; L21-V80 HydrophobicContact CD2-CG1 4.06Å; L21-V80 HydrophobicContact CG-CG1 4.48Å; L21-W81 CarbonylContact C-O 3.48Å; L21-W81 VanDerWaalsContact CA-O 3.25Å; L21-W81 WeakPolarHBondContact CA-O 3.15Å; L21-H82 HydrophobicContact CD2-CB 4.14Å; L21-Y92 HydrophobicContact CD2-CD2 3.62Å; L21-Y92 HydrophobicContact CD2-CE2 3.79Å
22F97.1Very high94.9Very high5 Ų541 Ų412%0.02224%0.239CC..EExtended strand (participates in β ladder)trans-141.6161.5159.769.3-80.1000109.5K24 E43 V46 W81 H83 N89F22-K24 HydrophobicContact CE2-CG 4.26Å; F22-E43 HydrophobicContact CD2-CG 4.01Å; F22-E43 HydrophobicContact CE2-CG 4.36Å; F22-V46 HydrophobicContact CB-CB 4.4Å; F22-V46 HydrophobicContact CB-CG2 3.97Å; F22-V46 HydrophobicContact CD1-CG2 3.99Å; F22-V46 HydrophobicContact CG-CG2 4.15Å; F22-W81 HydrophobicContact CD1-CB 3.65Å; F22-W81 HydrophobicContact CD2-CB 4.16Å; F22-W81 HydrophobicContact CE1-CB 3.2Å; F22-W81 HydrophobicContact CE1-CG 4.07Å; F22-W81 HydrophobicContact CE2-CB 3.77Å; F22-W81 AromaticContact CE2-CD1 3.98Å; F22-W81 AromaticContact CE2-CG 3.87Å; F22-W81 HydrophobicContact CE2-CG 3.87Å; F22-W81 HydrophobicContact CG-CB 4.11Å; F22-W81 HydrophobicContact CZ-CB 3.26Å; F22-W81 HydrophobicContact CZ-CD2 4.16Å; F22-W81 AromaticContact CZ-CG 3.6Å; F22-W81 HydrophobicContact CZ-CG 3.6Å; F22-W81 PolarHBondContact N-O 3.19Å; F22-W81 PolarHBondContact O-N 3.46Å; F22-H83 HydrophobicContact CD1-CB 4.21Å; F22-H83 HydrophobicContact CE1-CB 4.28Å; F22-N89 HydrophobicContact CE1-CB 4.45Å; F22-N89 HydrophobicContact CZ-CB 4.41Å
23C96.6Very high94.8Very high0 Ų041.7 Ų41.70%024%0.241CC..EExtended strand (participates in β ladder)trans-123.8131.6-177.1-172.80000110.2E43 T44 F57 Q79C23-E43 WeakPolarHBondContact O-CA 3.17Å; C23-T44 HydrophobicContact CB-CG2 3.87Å; C23-T44 PolarHBondContact N-OG1 3.34Å; C23-T44 WeakPolarHBondContact O-CG2 3.2Å; C23-T44 PolarHBondContact O-N 3.35Å; C23-T44 PolarHBondContact O-OG1 3.39Å; C23-F57 HydrophobicContact CB-CD2 4.1Å; C23-F57 HydrophobicContact CB-CE2 3.7Å; C23-F57 HydrophobicContact CB-CZ 4.21Å; C23-Q79 CarbonylContact C-O 3.41Å; C23-Q79 WeakPolarHBondContact CA-O 3.5Å
24K96.7Very high94.7Very high74 Ų7450.3 Ų50.332%0.32227%0.274SS..EExtended strand (participates in β ladder)trans-96.8136.2162-55.5-173.2-172-112.20108F22 G42 E43 F78 Q79F22-K24 HydrophobicContact CE2-CG 4.26Å; K24-G42 WeakPolarHBondContact CA-O 3.44Å; K24-E43 WeakPolarHBondContact CE-OE2 3.49Å; K24-E43 HydrophobicContact CG-CG 4.19Å; K24-E43 WeakPolarHBondContact CG-OE2 3.34Å; K24-E43 IonicContact NZ-OE2 3.94Å; K24-E43 PolarHBondContact NZ-OE2 2.89Å; K24-F78 CarbonylContact O-C 3.6Å; K24-F78 WeakPolarHBondContact O-CA 3.46Å; K24-Q79 HydrophobicContact CB-CB 4.23Å; K24-Q79 PolarHBondContact N-O 2.86Å; K24-Q79 PolarHBondContact O-N 2.86Å
25W96.6Very high94.7Very high9 Ų950 Ų503%0.03428%0.276CS..EExtended strand (participates in β ladder)trans-129.7156.8178.570-86.6000110.7I10 L39 E41 G42 H59 I61 L63 L76 H77 F78I10-W25 HydrophobicContact CD1-CB 3.92Å; I10-W25 VanDerWaalsContact CD1-CD1 3.48Å; I10-W25 HydrophobicContact CD1-CG 3.72Å; W25-L39 HydrophobicContact CH2-CB 4.38Å; W25-L39 VanDerWaalsContact CH2-O 3.24Å; W25-L39 WeakPolarHBondContact CH2-O 3.48Å; W25-L39 HydrophobicContact CZ2-CB 4.5Å; W25-E41 WeakPolarHBondContact O-CA 3.24Å; W25-E41 WeakPolarHBondContact O-CB 3.09Å; W25-G42 VanDerWaalsContact CD1-C 3.5Å; W25-G42 VanDerWaalsContact CD1-O 3.31Å; W25-G42 PolarHBondContact N-O 2.78Å; W25-G42 PolarHBondContact O-N 3.32Å; W25-H59 AromaticContact CD1-CD2 3.92Å; W25-H59 AromaticContact CD1-NE2 3.87Å; W25-H59 AromaticContact CE2-NE2 3.94Å; W25-H59 AromaticContact NE1-CD2 3.3Å; W25-H59 PolarHBondContact NE1-CD2 2.85Å; W25-H59 VanDerWaalsContact NE1-CD2 3.3Å; W25-H59 AromaticContact NE1-NE2 2.98Å; W25-H59 PolarHBondContact NE1-NE2 2.84Å; W25-I61 HydrophobicContact CZ2-CG1 4.49Å; W25-L63 HydrophobicContact CH2-CD2 4.28Å; W25-L63 HydrophobicContact CZ3-CD2 4.39Å; W25-L76 HydrophobicContact CE3-CD2 4.09Å; W25-L76 HydrophobicContact CZ3-CD2 4.14Å; W25-H77 CarbonylContact C-O 3.59Å; W25-H77 VanDerWaalsContact CA-O 3.23Å; W25-H77 WeakPolarHBondContact CA-O 3.36Å; W25-F78 HydrophobicContact CB-CD1 3.58Å; W25-F78 HydrophobicContact CB-CE1 3.74Å
26G95.5Very high94.7Very high1 Ų150.9 Ų50.91%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-157.9168.5173.900000112.1A40 L76 H77G26-A40 CarbonylContact C-O 3.58Å; G26-A40 WeakPolarHBondContact CA-O 3.37Å; G26-L76 WeakPolarHBondContact O-CA 3.49Å; G26-H77 WeakPolarHBondContact CA-CE1 3.17Å; G26-H77 PolarHBondContact N-O 3.44Å; G26-H77 PolarHBondContact O-CD2 3.05Å; G26-H77 PolarHBondContact O-N 2.91Å
27L94.7Very high94.8Very high29 Ų2956.2 Ų56.215%0.15229%0.293CS..EExtended strand (participates in β ladder)trans-114.9132.1-170.7171.569.4000110.5L35 A40 L63 F65 P74 L76L27-L35 HydrophobicContact CD2-CD1 4Å; L27-L35 HydrophobicContact CD2-CD2 4.03Å; L27-L35 HydrophobicContact CD2-CG 4.46Å; L27-A40 VanDerWaalsContact CB-O 3.23Å; L27-A40 WeakPolarHBondContact CB-O 3.29Å; L27-A40 PolarHBondContact N-O 2.83Å; L27-L63 HydrophobicContact CD1-CD1 4.32Å; L27-L63 HydrophobicContact CD2-CD2 4.31Å; L27-F65 HydrophobicContact CD1-CE1 4.2Å; L27-F65 HydrophobicContact CD1-CE2 4.44Å; L27-F65 HydrophobicContact CD1-CZ 3.5Å; L27-F65 HydrophobicContact CD2-CE1 3.63Å; L27-F65 HydrophobicContact CD2-CZ 3.34Å; L27-F65 HydrophobicContact CG-CE1 4.35Å; L27-F65 HydrophobicContact CG-CZ 3.96Å; L27-P74 HydrophobicContact CD1-CB 4.24Å; L27-L76 HydrophobicContact CD1-CD2 4.29Å
28K93.7Very high94.9Very high90 Ų9054.3 Ų54.339%0.39129%0.288SS..EExtended strand (participates in β ladder)trans-121.4124.7167.3-173.270.7169-157.30110.2P74 K75 Y141K28-P74 CarbonylContact O-C 3.54Å; K28-P74 WeakPolarHBondContact O-CA 3.47Å; K28-K75 PolarHBondContact N-O 3.19Å; K28-K75 PolarHBondContact O-N 3.37Å; K28-Y141 HydrophobicContact CB-CD1 4.49Å; K28-Y141 HydrophobicContact CB-CD2 4.13Å; K28-Y141 HydrophobicContact CB-CE1 4.47Å; K28-Y141 HydrophobicContact CB-CE2 4.13Å; K28-Y141 HydrophobicContact CB-CG 4.3Å; K28-Y141 HydrophobicContact CD-CD2 4.28Å; K28-Y141 HydrophobicContact CD-CE2 3.56Å; K28-Y141 HydrophobicContact CG-CD2 3.73Å; K28-Y141 HydrophobicContact CG-CE2 3.53Å; K28-Y141 HydrophobicContact CG-CG 4.4Å; K28-Y141 PolarHBondContact NZ-OH 2.75Å
29A93.5Very high95Very high34 Ų3455.2 Ų55.228%0.28130%0.296SS..  trans-130.7155.4171.400000110.6W33 F65 P74A29-W33 HydrophobicContact CB-CB 3.75Å; A29-W33 HydrophobicContact CB-CG 4.4Å; A29-F65 HydrophobicContact CB-CE1 4.23Å; A29-P74 HydrophobicContact CB-CB 4.23Å; A29-P74 HydrophobicContact CB-CG 4.16Å
30G92.1Very high95.1Very high22 Ų2254.4 Ų54.423%0.22730%0.302CS..  trans-75169.9176.700000112.9A32 W33 G72G30-A32 PolarHBondContact O-N 2.91Å; G30-A32 VanDerWaalsContact O-N 3.08Å; G30-W33 WeakPolarHBondContact O-CB 3.29Å; G30-W33 PolarHBondContact O-N 3.33Å; G30-G72 WeakPolarHBondContact CA-O 3.5Å; G30-G72 PolarHBondContact N-O 3.29Å
31C92.7Very high95.1Very high142 Ų14259.6 Ų59.696%0.95933%0.325SS*.THydrogen-bonded Turntrans-61.9-19.5-176.860.90000114.9W33C31-W33 VanDerWaalsContact C-N 3.26Å
32A93.2Very high95.1Very high21 Ų2160.5 Ų60.517%0.17434%0.335CS..THydrogen-bonded Turntrans-76.4-15.217600000113.1G30 T67 K68 G69G30-A32 PolarHBondContact O-N 2.91Å; G30-A32 VanDerWaalsContact O-N 3.08Å; A32-T67 WeakPolarHBondContact O-CA 3.1Å; A32-T67 PolarHBondContact O-OG1 2.85Å; A32-K68 PolarHBondContact O-N 2.98Å; A32-G69 WeakPolarHBondContact CB-O 2.92Å
33W95.4Very high95.1Very high17 Ų1765.1 Ų65.16%0.06436%0.356CS..EExtended strand (participates in β ladder)trans-107.6134.1-175-64.584.3000110.5L4 A29 G30 C31 F65 T67 G69 Q71 W73 P74 F168L4-W33 HydrophobicContact CB-CZ3 3.83Å; L4-W33 HydrophobicContact CD2-CH2 4.15Å; L4-W33 HydrophobicContact CD2-CZ3 3.69Å; L4-W33 HydrophobicContact CG-CZ3 4.42Å; A29-W33 HydrophobicContact CB-CB 3.75Å; A29-W33 HydrophobicContact CB-CG 4.4Å; G30-W33 WeakPolarHBondContact O-CB 3.29Å; G30-W33 PolarHBondContact O-N 3.33Å; C31-W33 VanDerWaalsContact C-N 3.26Å; W33-F65 HydrophobicContact CE3-CB 3.87Å; W33-F65 HydrophobicContact CE3-CD1 4.48Å; W33-F65 HydrophobicContact CE3-CG 4.25Å; W33-F65 HydrophobicContact CZ3-CB 4.25Å; W33-T67 HydrophobicContact CE3-CG2 4.25Å; W33-T67 HydrophobicContact CH2-CG2 3.72Å; W33-T67 HydrophobicContact CZ2-CG2 4.08Å; W33-T67 HydrophobicContact CZ3-CG2 3.81Å; W33-G69 PolarHBondContact NE1-O 2.83Å; W33-Q71 VanDerWaalsContact CD1-O 3.25Å; W33-Q71 PolarHBondContact NE1-O 3.23Å; W33-Q71 VanDerWaalsContact NE1-O 3.15Å; W33-W73 HydrophobicContact CH2-CD2 4.32Å; W33-W73 AromaticContact CH2-CE3 3.57Å; W33-W73 HydrophobicContact CH2-CE3 3.57Å; W33-W73 AromaticContact CH2-CH2 3.77Å; W33-W73 HydrophobicContact CH2-CH2 3.77Å; W33-W73 AromaticContact CH2-CZ3 3.26Å; W33-W73 HydrophobicContact CH2-CZ3 3.26Å; W33-W73 HydrophobicContact CZ2-CD2 4.11Å; W33-W73 AromaticContact CZ2-CE3 3.27Å; W33-W73 HydrophobicContact CZ2-CE3 3.27Å; W33-W73 HydrophobicContact CZ2-CH2 4.35Å; W33-W73 AromaticContact CZ2-CZ3 3.44Å; W33-W73 HydrophobicContact CZ2-CZ3 3.44Å; W33-W73 VanDerWaalsContact CZ2-CZ3 3.44Å; W33-W73 HydrophobicContact CZ3-CZ3 4.45Å; W33-P74 HydrophobicContact CD2-CG 3.72Å; W33-P74 HydrophobicContact CE3-CG 3.56Å; W33-P74 HydrophobicContact CG-CG 4.14Å; W33-P74 HydrophobicContact CZ3-CG 4.04Å; W33-F168 HydrophobicContact CH2-CE1 4.36Å; W33-F168 AromaticContact CH2-CZ 3.91Å; W33-F168 HydrophobicContact CH2-CZ 3.91Å; W33-F168 HydrophobicContact CZ3-CZ 4.45Å
34R95.6Very high95.1Very high181 Ų18165.4 Ų65.468%0.68336%0.358SS*.EExtended strand (participates in β ladder)trans-124.4123.1175.9-179179.1178.9176.60.7108.9L36 F65 A66R34-L36 HydrophobicContact CG-CD2 4.31Å; R34-L36 PolarHBondContact O-N 3.45Å; R34-F65 CarbonylContact O-C 3.58Å; R34-F65 VanDerWaalsContact O-CA 3.29Å; R34-F65 WeakPolarHBondContact O-CA 3.32Å; R34-A66 PolarHBondContact N-O 2.92Å; R34-A66 PolarHBondContact O-N 3.44Å
35L96.6Very high95Very high52 Ų5268 Ų6827%0.27237%0.371SS..EExtended strand (participates in β ladder)trans-69.5120.6167.6-171.669.7000108.2L27 E37 A40 L63 F65L27-L35 HydrophobicContact CD2-CD1 4Å; L27-L35 HydrophobicContact CD2-CD2 4.03Å; L27-L35 HydrophobicContact CD2-CG 4.46Å; L35-E37 VanDerWaalsContact CD1-O 3.25Å; L35-E37 WeakPolarHBondContact CD1-O 3.23Å; L35-A40 HydrophobicContact CD2-CB 4.01Å; L35-L63 HydrophobicContact CD1-CB 4.35Å; L35-L63 HydrophobicContact CD1-CD2 4.08Å; L35-F65 HydrophobicContact CB-CD1 4.35Å; L35-F65 HydrophobicContact CB-CE1 4.14Å; L35-F65 HydrophobicContact CD1-CD1 4.19Å; L35-F65 HydrophobicContact CD1-CE1 3.76Å; L35-F65 HydrophobicContact CD1-CE2 4.23Å; L35-F65 HydrophobicContact CD1-CZ 3.76Å
36L96.2Very high95Very high75 Ų7570.4 Ų70.439%0.39339%0.387SS..EExtended strand (participates in β ladder)trans-92.4-48.1177.7-63.7-178.2000110.6R34 H64 A66R34-L36 HydrophobicContact CG-CD2 4.31Å; R34-L36 PolarHBondContact O-N 3.45Å; L36-H64 WeakPolarHBondContact CB-O 3.35Å; L36-H64 PolarHBondContact N-O 3.15Å; L36-A66 HydrophobicContact CD1-CB 3.64Å; L36-A66 HydrophobicContact CD2-CB 4.11Å; L36-A66 HydrophobicContact CG-CB 3.94Å
37E95.6Very high95Very high135 Ų13572.1 Ų72.163%0.63140%0.396SS*.EExtended strand (participates in β ladder)trans-141.6157.7-178.4-55.8-177.7174.900110.2L35 H64L35-E37 VanDerWaalsContact CD1-O 3.25Å; L35-E37 WeakPolarHBondContact CD1-O 3.23Å; E37-H64 HydrophobicContact CB-CB 4Å; E37-H64 PolarHBondContact N-O 3.19Å; E37-H64 PolarHBondContact O-N 3.02Å
38G95Very high94.9Very high44 Ų4474 Ų7445%0.45441%0.41SS..EExtended strand (participates in β ladder)trans101.3171.8-175.900000114D62G38-D62 WeakPolarHBondContact CA-O 3.44Å
39L94.2Very high94.7Very high118 Ų11870.3 Ų70.362%0.61840%0.396SS*.  trans-90.7135178.2-64.1175.3000110.2W25 E41 L63W25-L39 HydrophobicContact CH2-CB 4.38Å; W25-L39 VanDerWaalsContact CH2-O 3.24Å; W25-L39 WeakPolarHBondContact CH2-O 3.48Å; W25-L39 HydrophobicContact CZ2-CB 4.5Å; L39-E41 VanDerWaalsContact C-N 3.29Å; L39-L63 WeakPolarHBondContact O-CD2 3.32Å
40A94.1Very high94.5Very high51 Ų5176.5 Ų76.542%0.42142%0.424SS..SBendtrans-78.6-17.3176.100000112.9G26 L27 L35G26-A40 CarbonylContact C-O 3.58Å; G26-A40 WeakPolarHBondContact CA-O 3.37Å; L27-A40 VanDerWaalsContact CB-O 3.23Å; L27-A40 WeakPolarHBondContact CB-O 3.29Å; L27-A40 PolarHBondContact N-O 2.83Å; L35-A40 HydrophobicContact CD2-CB 4.01Å
41E95.7Very high94.3Very high149 Ų14982 Ų8270%0.69645%0.452SS*.EExtended strand (participates in β ladder)trans-154.8160.3-179.760.4-178.7-164.200110.2W25 L39W25-E41 WeakPolarHBondContact O-CA 3.24Å; W25-E41 WeakPolarHBondContact O-CB 3.09Å; L39-E41 VanDerWaalsContact C-N 3.29Å
42G95.8Very high94.2Very high22 Ų2277.1 Ų77.123%0.22743%0.426CS..EExtended strand (participates in β ladder)trans-168.4173.6178.400000113K24 W25K24-G42 WeakPolarHBondContact CA-O 3.44Å; W25-G42 VanDerWaalsContact CD1-C 3.5Å; W25-G42 VanDerWaalsContact CD1-O 3.31Å; W25-G42 PolarHBondContact N-O 2.78Å; W25-G42 PolarHBondContact O-N 3.32Å
43E96.9Very high94Very high101 Ų10183.7 Ų83.747%0.47245%0.453SS..EExtended strand (participates in β ladder)trans-134.2136.2178.4-176.4170.7101.200108.8F22 C23 K24 H59F22-E43 HydrophobicContact CD2-CG 4.01Å; F22-E43 HydrophobicContact CE2-CG 4.36Å; C23-E43 WeakPolarHBondContact O-CA 3.17Å; K24-E43 WeakPolarHBondContact CE-OE2 3.49Å; K24-E43 HydrophobicContact CG-CG 4.19Å; K24-E43 WeakPolarHBondContact CG-OE2 3.34Å; K24-E43 IonicContact NZ-OE2 3.94Å; K24-E43 PolarHBondContact NZ-OE2 2.89Å; E43-H59 PolarHBondContact O-CE1 2.94Å
44T97.1Very high94Very high7 Ų786.8 Ų86.84%0.04347%0.467CS..PPolyproline II helixtrans-80.4163175.173.50000110.8I10 C23 F57 H59I10-T44 HydrophobicContact CD1-CG2 4.17Å; C23-T44 HydrophobicContact CB-CG2 3.87Å; C23-T44 PolarHBondContact N-OG1 3.34Å; C23-T44 WeakPolarHBondContact O-CG2 3.2Å; C23-T44 PolarHBondContact O-N 3.35Å; C23-T44 PolarHBondContact O-OG1 3.39Å; T44-F57 HydrophobicContact CG2-CB 3.93Å; T44-F57 HydrophobicContact CG2-CD2 4.24Å; T44-F57 HydrophobicContact CG2-CG 4.05Å; T44-H59 HydrophobicContact CG2-CB 3.53Å
45Q95.2Very high94Very high127 Ų12778.2 Ų78.259%0.59344%0.435SS*.PPolyproline II helixtrans-59.8159.216068.8-156.325.400111.1
46V95.4Very high94Very high61 Ų6181.2 Ų81.237%0.3744%0.443SS..PPolyproline II helixtrans-79.5125166.7-172.20000108L21 F22 H83L21-V46 WeakPolarHBondContact O-CA 3.36Å; F22-V46 HydrophobicContact CB-CB 4.4Å; F22-V46 HydrophobicContact CB-CG2 3.97Å; F22-V46 HydrophobicContact CD1-CG2 3.99Å; F22-V46 HydrophobicContact CG-CG2 4.15Å; V46-H83 HydrophobicContact CG1-CB 3.75Å; V46-H83 HydrophobicContact CG2-CB 4.3Å
47D95.5Very high94Very high37 Ų3777.7 Ų77.720%0.19843%0.425CS..BIsolated β-bridgetrans-103.5131168.2-175.138.7000109.7D20 L21 P49 A55 Y56 F57D20-D47 CarbonylContact C-O 3.56Å; D20-D47 VanDerWaalsContact CA-O 3.32Å; D20-D47 WeakPolarHBondContact CA-O 3.45Å; L21-D47 PolarHBondContact N-O 3.13Å; L21-D47 PolarHBondContact O-N 2.85Å; D47-P49 WeakPolarHBondContact O-CD 3.3Å; D47-A55 HydrophobicContact CB-CB 4.27Å; D47-A55 VanDerWaalsContact OD2-CA 3.23Å; D47-A55 WeakPolarHBondContact OD2-CA 2.94Å; D47-Y56 WeakPolarHBondContact CB-O 3.39Å; D47-Y56 PolarHBondContact OD2-N 3.23Å; D47-F57 HydrophobicContact CB-CD1 4.38Å
48C92.7Very high94Very high67 Ų6774.6 Ų74.645%0.45342%0.418SS..  trans-12373.1-179.2-570000109D20 L50D20-C48 HydrophobicContact CB-CB 4.46Å; D20-C48 VanDerWaalsContact OD1-CA 3.25Å; D20-C48 WeakPolarHBondContact OD1-CA 3.2Å; D20-C48 VanDerWaalsContact OD1-CB 3.31Å; D20-C48 WeakPolarHBondContact OD1-CB 3.3Å; C48-L50 PolarHBondContact O-N 2.95Å
49P91.2Very high94.1Very high14 Ų1474.4 Ų74.49%0.09141%0.405CS..  trans-66.6120.9-169.525.5-33.4000110.8K19 D47 V51 K54K19-P49 HydrophobicContact CB-CG 3.88Å; K19-P49 HydrophobicContact CD-CG 4.08Å; K19-P49 VanDerWaalsContact CD-O 3.3Å; K19-P49 WeakPolarHBondContact CD-O 3.5Å; K19-P49 WeakPolarHBondContact CE-O 3.36Å; K19-P49 HydrophobicContact CG-CG 4Å; K19-P49 PolarHBondContact NZ-O 3.31Å; K19-P49 WeakPolarHBondContact O-CD 3.03Å; D47-P49 WeakPolarHBondContact O-CD 3.3Å; P49-V51 VanDerWaalsContact C-N 3.35Å; P49-K54 WeakPolarHBondContact CG-O 3.23Å
50L89.3Confident94.2Very high164 Ų16473.1 Ų73.186%0.85940%0.404SS*.SBendtrans-69.8-35.8174.4-67176.3000111.7K19 C48K19-L50 PolarHBondContact NZ-O 3.37Å; C48-L50 PolarHBondContact O-N 2.95Å
51V87.9Confident94.3Very high137 Ų13770.9 Ų70.983%0.8338%0.384SS*.SBendtrans-124.1132-177.1-1790000109.4P49P49-V51 VanDerWaalsContact C-N 3.35Å
52G88.6Confident94.4Very high40 Ų4068.7 Ų68.741%0.41238%0.377SS..SBendtrans94.4170.1-179.600000113.9
53E90.1Very high94.5Very high158 Ų15867.6 Ų67.674%0.73837%0.367SS*.SBendtrans-105.22-173-59.2-60.3136.900113.1
54K94.5Very high94.5Very high83 Ų8363.9 Ų63.936%0.36135%0.349SS..EExtended strand (participates in β ladder)trans-111.9132.9-177.1-54.8-162.4174.7-179.20110.2A13 Y14 P49 Y56A13-K54 WeakPolarHBondContact O-CA 3.49Å; Y14-K54 HydrophobicContact CD1-CD 4.36Å; Y14-K54 HydrophobicContact CG-CG 4.39Å; P49-K54 WeakPolarHBondContact CG-O 3.23Å; K54-Y56 HydrophobicContact CB-CD2 4.35Å; K54-Y56 HydrophobicContact CB-CE2 3.83Å
55A96.2Very high94.5Very high0 Ų063.6 Ų63.60%035%0.347CS..EExtended strand (participates in β ladder)trans-89.1114.9168.300000109.1C12 A13 K19 L21 D47 F57C12-A55 CarbonylContact C-O 3.52Å; C12-A55 WeakPolarHBondContact CA-O 3.4Å; C12-A55 WeakPolarHBondContact CB-O 3.4Å; A13-A55 PolarHBondContact N-O 3.08Å; A13-A55 PolarHBondContact O-N 3.05Å; K19-A55 WeakPolarHBondContact O-CB 3.12Å; L21-A55 HydrophobicContact CB-CB 3.81Å; L21-A55 HydrophobicContact CD1-CB 3.99Å; L21-A55 HydrophobicContact CG-CB 4.2Å; D47-A55 HydrophobicContact CB-CB 4.27Å; D47-A55 VanDerWaalsContact OD2-CA 3.23Å; D47-A55 WeakPolarHBondContact OD2-CA 2.94Å; A55-F57 HydrophobicContact CB-CE1 3.94Å; A55-F57 HydrophobicContact CB-CZ 4.19Å
56Y96.6Very high94.5Very high115 Ų11558 Ų5845%0.45132%0.322SS..EExtended strand (participates in β ladder)trans-93.1116179.7-71.1-85.5000110.6C12 D47 K54C12-Y56 HydrophobicContact CB-CD1 3.7Å; C12-Y56 HydrophobicContact CB-CE1 4.01Å; C12-Y56 HydrophobicContact CB-CG 4.19Å; D47-Y56 WeakPolarHBondContact CB-O 3.39Å; D47-Y56 PolarHBondContact OD2-N 3.23Å; K54-Y56 HydrophobicContact CB-CD2 4.35Å; K54-Y56 HydrophobicContact CB-CE2 3.83Å
57F96.5Very high94.4Very high2 Ų255.3 Ų55.31%0.00931%0.306CS..EExtended strand (participates in β ladder)trans-93.3-38.8178.7-53.7-42.7000112I10 L11 A13 L21 C23 T44 D47 A55 H59I10-F57 HydrophobicContact CG2-CD2 3.83Å; L11-F57 PolarHBondContact O-N 2.78Å; A13-F57 HydrophobicContact CB-CE2 3.53Å; A13-F57 HydrophobicContact CB-CZ 3.67Å; L21-F57 HydrophobicContact CB-CE1 4.09Å; L21-F57 HydrophobicContact CB-CZ 3.91Å; L21-F57 VanDerWaalsContact O-CE1 3.31Å; L21-F57 WeakPolarHBondContact O-CE1 3.24Å; C23-F57 HydrophobicContact CB-CD2 4.1Å; C23-F57 HydrophobicContact CB-CE2 3.7Å; C23-F57 HydrophobicContact CB-CZ 4.21Å; T44-F57 HydrophobicContact CG2-CB 3.93Å; T44-F57 HydrophobicContact CG2-CD2 4.24Å; T44-F57 HydrophobicContact CG2-CG 4.05Å; D47-F57 HydrophobicContact CB-CD1 4.38Å; A55-F57 HydrophobicContact CB-CE1 3.94Å; A55-F57 HydrophobicContact CB-CZ 4.19Å; F57-H59 HydrophobicContact CB-CB 4.3Å; F57-H59 PolarHBondContact O-N 2.81Å; F57-H59 VanDerWaalsContact O-N 3.09Å
58C95.6Very high94.2Very high70 Ų7061.7 Ų61.747%0.47333%0.332SS..EExtended strand (participates in β ladder)trans45.738.9-173.7-570000112.4I10 L11I10-C58 WeakPolarHBondContact O-CA 3.49Å; I10-C58 PolarHBondContact O-N 3.5Å; I10-C58 VanDerWaalsContact O-N 3.1Å; L11-C58 PolarHBondContact O-N 2.96Å
59H97Very high94Very high39 Ų3959.9 Ų59.918%0.18133%0.325CS..EExtended strand (participates in β ladder)trans-87.9125-171.7-178.483.2000110.2Q9 I10 W25 E43 T44 F57Q9-H59 CarbonylContact C-O 3.58Å; Q9-H59 WeakPolarHBondContact CA-O 3.29Å; Q9-H59 WeakPolarHBondContact CB-O 3.14Å; I10-H59 HydrophobicContact CB-CB 4.31Å; I10-H59 PolarHBondContact N-O 2.68Å; I10-H59 PolarHBondContact O-N 3.18Å; W25-H59 AromaticContact CD1-CD2 3.92Å; W25-H59 AromaticContact CD1-NE2 3.87Å; W25-H59 AromaticContact CE2-NE2 3.94Å; W25-H59 AromaticContact NE1-CD2 3.3Å; W25-H59 PolarHBondContact NE1-CD2 2.85Å; W25-H59 VanDerWaalsContact NE1-CD2 3.3Å; W25-H59 AromaticContact NE1-NE2 2.98Å; W25-H59 PolarHBondContact NE1-NE2 2.84Å; E43-H59 PolarHBondContact O-CE1 2.94Å; T44-H59 HydrophobicContact CG2-CB 3.53Å; F57-H59 HydrophobicContact CB-CB 4.3Å; F57-H59 PolarHBondContact O-N 2.81Å; F57-H59 VanDerWaalsContact O-N 3.09Å
60P96.9Very high94Very high92 Ų9263.3 Ų63.360%0.59734%0.342SS*.EExtended strand (participates in β ladder)trans-68.6141.7-174.128.6-35.1000111.7G8G8-P60 WeakPolarHBondContact O-CA 3.48Å
61I96.3Very high94Very high3 Ų363.1 Ų63.12%0.01534%0.337CS..EExtended strand (participates in β ladder)trans-118.4130.9165.9-67.4177.1000106.5F7 G8 I10 W25 L63 L76 L161F7-I61 CarbonylContact C-O 3.48Å; F7-I61 WeakPolarHBondContact CA-O 3.49Å; G8-I61 PolarHBondContact N-O 3.27Å; G8-I61 PolarHBondContact O-N 3.01Å; I10-I61 HydrophobicContact CD1-CD1 4.18Å; I10-I61 HydrophobicContact CG1-CD1 3.51Å; I10-I61 HydrophobicContact CG1-CG1 4Å; W25-I61 HydrophobicContact CZ2-CG1 4.49Å; I61-L63 HydrophobicContact CG2-CD1 3.86Å; I61-L63 HydrophobicContact CG2-CG 3.89Å; I61-L76 HydrophobicContact CD1-CD1 4.13Å; I61-L161 HydrophobicContact CD1-CD2 4.24Å
62D97Very high94.1Very high103 Ų10358.5 Ų58.555%0.55132%0.316SS*.EExtended strand (participates in β ladder)trans-144.8116.6172.3-170.1-3.4000108.6G38G38-D62 WeakPolarHBondContact CA-O 3.44Å
63L97.2Very high94.4Very high0 Ų058.1 Ų58.10%030%0.303CS..EExtended strand (participates in β ladder)trans-138.2123.9-172.2-58.4173.2000110H5 C6 W25 L27 L35 L39 I61 F65 L76 I99H5-L63 CarbonylContact C-O 3.57Å; H5-L63 WeakPolarHBondContact CA-O 3.23Å; C6-L63 HydrophobicContact CB-CB 4.45Å; C6-L63 PolarHBondContact N-O 3.07Å; C6-L63 PolarHBondContact O-N 2.94Å; W25-L63 HydrophobicContact CH2-CD2 4.28Å; W25-L63 HydrophobicContact CZ3-CD2 4.39Å; L27-L63 HydrophobicContact CD1-CD1 4.32Å; L27-L63 HydrophobicContact CD2-CD2 4.31Å; L35-L63 HydrophobicContact CD1-CB 4.35Å; L35-L63 HydrophobicContact CD1-CD2 4.08Å; L39-L63 WeakPolarHBondContact O-CD2 3.32Å; I61-L63 HydrophobicContact CG2-CD1 3.86Å; I61-L63 HydrophobicContact CG2-CG 3.89Å; L63-F65 HydrophobicContact CB-CD2 4.38Å; L63-F65 HydrophobicContact CB-CE2 3.64Å; L63-F65 HydrophobicContact CB-CZ 4.28Å; L63-F65 HydrophobicContact CD1-CE2 4.2Å; L63-F65 HydrophobicContact CD1-CZ 4.41Å; L63-F65 HydrophobicContact CG-CE2 4.48Å; L63-L76 HydrophobicContact CD1-CD2 3.88Å; L63-I99 HydrophobicContact CD1-CD1 4.17Å
64H97.5Very high94.6Very high22 Ų2250.6 Ų50.610%0.10227%0.267CS..EExtended strand (participates in β ladder)trans-116.4118173.5178.1-167.1000110.2E3 H5 L36 E37E3-H64 IonicContact OE2-NE2 3.63Å; H5-H64 AromaticContact CD2-CD2 3.18Å; H5-H64 PolarHBondContact CD2-CD2 3.04Å; H5-H64 AromaticContact CD2-CG 3.81Å; H5-H64 AromaticContact CD2-NE2 3.56Å; H5-H64 AromaticContact CE1-CD2 3.81Å; H5-H64 AromaticContact CE1-CE1 3.86Å; H5-H64 AromaticContact CE1-CG 3.81Å; H5-H64 AromaticContact CE1-ND1 3.87Å; H5-H64 AromaticContact CE1-NE2 3.85Å; H5-H64 AromaticContact NE2-CD2 2.96Å; H5-H64 PolarHBondContact NE2-CD2 2.58Å; H5-H64 AromaticContact NE2-CE1 3.33Å; H5-H64 PolarHBondContact NE2-CE1 2.76Å; H5-H64 VanDerWaalsContact NE2-CE1 3.33Å; H5-H64 AromaticContact NE2-CG 3.42Å; H5-H64 AromaticContact NE2-ND1 3.64Å; H5-H64 AromaticContact NE2-NE2 2.91Å; H5-H64 PolarHBondContact NE2-NE2 3.06Å; L36-H64 WeakPolarHBondContact CB-O 3.35Å; L36-H64 PolarHBondContact N-O 3.15Å; E37-H64 HydrophobicContact CB-CB 4Å; E37-H64 PolarHBondContact N-O 3.19Å; E37-H64 PolarHBondContact O-N 3.02Å
65F96.5Very high94.7Very high1 Ų148.9 Ų48.90%0.00426%0.26CS..EExtended strand (participates in β ladder)trans-108.6148.8175-61-89.9000112.8E3 L4 L27 A29 W33 R34 L35 L63 P74 I99E3-F65 CarbonylContact C-O 3.55Å; E3-F65 WeakPolarHBondContact CA-O 3.49Å; L4-F65 HydrophobicContact CB-CB 4.29Å; L4-F65 HydrophobicContact CD2-CD2 4.34Å; L4-F65 PolarHBondContact N-O 3.38Å; L4-F65 PolarHBondContact O-N 2.72Å; L27-F65 HydrophobicContact CD1-CE1 4.2Å; L27-F65 HydrophobicContact CD1-CE2 4.44Å; L27-F65 HydrophobicContact CD1-CZ 3.5Å; L27-F65 HydrophobicContact CD2-CE1 3.63Å; L27-F65 HydrophobicContact CD2-CZ 3.34Å; L27-F65 HydrophobicContact CG-CE1 4.35Å; L27-F65 HydrophobicContact CG-CZ 3.96Å; A29-F65 HydrophobicContact CB-CE1 4.23Å; W33-F65 HydrophobicContact CE3-CB 3.87Å; W33-F65 HydrophobicContact CE3-CD1 4.48Å; W33-F65 HydrophobicContact CE3-CG 4.25Å; W33-F65 HydrophobicContact CZ3-CB 4.25Å; R34-F65 CarbonylContact O-C 3.58Å; R34-F65 VanDerWaalsContact O-CA 3.29Å; R34-F65 WeakPolarHBondContact O-CA 3.32Å; L35-F65 HydrophobicContact CB-CD1 4.35Å; L35-F65 HydrophobicContact CB-CE1 4.14Å; L35-F65 HydrophobicContact CD1-CD1 4.19Å; L35-F65 HydrophobicContact CD1-CE1 3.76Å; L35-F65 HydrophobicContact CD1-CE2 4.23Å; L35-F65 HydrophobicContact CD1-CZ 3.76Å; L63-F65 HydrophobicContact CB-CD2 4.38Å; L63-F65 HydrophobicContact CB-CE2 3.64Å; L63-F65 HydrophobicContact CB-CZ 4.28Å; L63-F65 HydrophobicContact CD1-CE2 4.2Å; L63-F65 HydrophobicContact CD1-CZ 4.41Å; L63-F65 HydrophobicContact CG-CE2 4.48Å; F65-P74 HydrophobicContact CD1-CG 4.31Å; F65-P74 HydrophobicContact CD2-CG 4.4Å; F65-P74 HydrophobicContact CE1-CB 4.39Å; F65-P74 HydrophobicContact CE1-CG 4.25Å; F65-P74 HydrophobicContact CE2-CB 4.27Å; F65-P74 HydrophobicContact CE2-CG 4.35Å; F65-P74 HydrophobicContact CG-CG 4.39Å; F65-P74 HydrophobicContact CZ-CB 4.08Å; F65-P74 HydrophobicContact CZ-CG 4.28Å; F65-I99 HydrophobicContact CE2-CD1 3.97Å
66A95.4Very high94.7Very high9 Ų948.9 Ų48.97%0.07426%0.26CS..EExtended strand (participates in β ladder)trans-109.4143.2154.800000110.1A2 R34 L36A2-A66 WeakPolarHBondContact O-CA 3.26Å; R34-A66 PolarHBondContact N-O 2.92Å; R34-A66 PolarHBondContact O-N 3.44Å; L36-A66 HydrophobicContact CD1-CB 3.64Å; L36-A66 HydrophobicContact CD2-CB 4.11Å; L36-A66 HydrophobicContact CG-CB 3.94Å
67T94.5Very high94.7Very high5 Ų545.1 Ų45.13%0.03125%0.246CC..EExtended strand (participates in β ladder)trans-129.6145.2178-173.40000113.3A2 A32 W33 G69 F168A2-T67 HydrophobicContact CB-CG2 3.76Å; A2-T67 PolarHBondContact N-O 2.81Å; A2-T67 PolarHBondContact O-N 2.87Å; A32-T67 WeakPolarHBondContact O-CA 3.1Å; A32-T67 PolarHBondContact O-OG1 2.85Å; W33-T67 HydrophobicContact CE3-CG2 4.25Å; W33-T67 HydrophobicContact CH2-CG2 3.72Å; W33-T67 HydrophobicContact CZ2-CG2 4.08Å; W33-T67 HydrophobicContact CZ3-CG2 3.81Å; T67-G69 PolarHBondContact OG1-N 2.87Å; T67-G69 PolarHBondContact OG1-O 2.83Å; T67-F168 HydrophobicContact CG2-CE1 4.24Å; T67-F168 HydrophobicContact CG2-CZ 3.87Å
68K90.3Very high94.6Very high172 Ų17245 Ų4575%0.74825%0.246SC*.SBendtrans-102.6-4.6169-64.8-179.3-179.8177.70112.7M1 A32M1-K68 HydrophobicContact CE-CD 4.49Å; M1-K68 VanDerWaalsContact CE-CE 3.42Å; M1-K68 HydrophobicContact CE-CG 4.35Å; M1-K68 HydrophobicContact SD-CG 4.12Å; A32-K68 PolarHBondContact O-N 2.98Å
69G89.3Confident94.6Very high28 Ų2843.5 Ų43.529%0.28923%0.232SC..  trans-179.5160.7-178.900000112.8A32 W33 T67 Q71A32-G69 WeakPolarHBondContact CB-O 2.92Å; W33-G69 PolarHBondContact NE1-O 2.83Å; T67-G69 PolarHBondContact OG1-N 2.87Å; T67-G69 PolarHBondContact OG1-O 2.83Å; G69-Q71 VanDerWaalsContact C-N 3.3Å; G69-Q71 PolarHBondContact O-N 3.23Å
70L89.8Confident94.6Very high87 Ų8741.6 Ų41.646%0.45522%0.223SC..SBendtrans-79.5-12.1-173.2-57.9178.9000114.2G72 W73 F168 V173L70-G72 PolarHBondContact O-N 3.32Å; L70-W73 HydrophobicContact CD2-CZ3 4.28Å; L70-F168 HydrophobicContact CD2-CD1 4.23Å; L70-F168 HydrophobicContact CD2-CE1 3.72Å; L70-V173 HydrophobicContact CD1-CG1 3.85Å; L70-V173 HydrophobicContact CD1-CG2 3.88Å; L70-V173 HydrophobicContact CD2-CG1 4.31Å; L70-V173 HydrophobicContact CD2-CG2 4.38Å; L70-V173 HydrophobicContact CG-CG2 4.37Å
71Q89.8Confident94.5Very high160 Ų16038.2 Ų38.275%0.74820%0.198SC*.THydrogen-bonded Turntrans-58.9132.4-179.8-69.2-76.1-4.700111.2W33 G69W33-Q71 VanDerWaalsContact CD1-O 3.25Å; W33-Q71 PolarHBondContact NE1-O 3.23Å; W33-Q71 VanDerWaalsContact NE1-O 3.15Å; G69-Q71 VanDerWaalsContact C-N 3.3Å; G69-Q71 PolarHBondContact O-N 3.23Å
72G91.2Very high94.4Very high39 Ų3938.7 Ų38.740%0.40220%0.201SC..THydrogen-bonded Turntrans66.549.6178.800000113.6G30 L70G30-G72 WeakPolarHBondContact CA-O 3.5Å; G30-G72 PolarHBondContact N-O 3.29Å; L70-G72 PolarHBondContact O-N 3.32Å
73W94.1Very high94.2Very high33 Ų3336.7 Ų36.713%0.12519%0.188CC..  trans-45.2138176.1-170.6-94.4000112.8L4 W33 L70 I99 T101 F168 M175L4-W73 HydrophobicContact CD1-CH2 4.21Å; L4-W73 HydrophobicContact CD1-CZ2 4.22Å; L4-W73 HydrophobicContact CD2-CH2 3.96Å; L4-W73 HydrophobicContact CD2-CZ2 3.69Å; W33-W73 HydrophobicContact CH2-CD2 4.32Å; W33-W73 AromaticContact CH2-CE3 3.57Å; W33-W73 HydrophobicContact CH2-CE3 3.57Å; W33-W73 AromaticContact CH2-CH2 3.77Å; W33-W73 HydrophobicContact CH2-CH2 3.77Å; W33-W73 AromaticContact CH2-CZ3 3.26Å; W33-W73 HydrophobicContact CH2-CZ3 3.26Å; W33-W73 HydrophobicContact CZ2-CD2 4.11Å; W33-W73 AromaticContact CZ2-CE3 3.27Å; W33-W73 HydrophobicContact CZ2-CE3 3.27Å; W33-W73 HydrophobicContact CZ2-CH2 4.35Å; W33-W73 AromaticContact CZ2-CZ3 3.44Å; W33-W73 HydrophobicContact CZ2-CZ3 3.44Å; W33-W73 VanDerWaalsContact CZ2-CZ3 3.44Å; W33-W73 HydrophobicContact CZ3-CZ3 4.45Å; L70-W73 HydrophobicContact CD2-CZ3 4.28Å; W73-I99 PolarHBondContact NE1-O 3.39Å; W73-T101 HydrophobicContact CD2-CG2 4.17Å; W73-T101 HydrophobicContact CH2-CG2 4.32Å; W73-T101 HydrophobicContact CZ2-CG2 3.9Å; W73-F168 HydrophobicContact CH2-CZ 4.49Å; W73-F168 HydrophobicContact CZ3-CE1 4.29Å; W73-F168 HydrophobicContact CZ3-CZ 4.48Å; W73-M175 HydrophobicContact CH2-CE 3.55Å; W73-M175 HydrophobicContact CZ3-CE 4.08Å
74P95.4Very high93.8Very high0 Ų039 Ų390%020%0.2CC..  trans-56.9139.1-178.7-26.536.2000113.4L4 L27 K28 A29 W33 F65 I99L4-P74 HydrophobicContact CD2-CG 4.27Å; L27-P74 HydrophobicContact CD1-CB 4.24Å; K28-P74 CarbonylContact O-C 3.54Å; K28-P74 WeakPolarHBondContact O-CA 3.47Å; A29-P74 HydrophobicContact CB-CB 4.23Å; A29-P74 HydrophobicContact CB-CG 4.16Å; W33-P74 HydrophobicContact CD2-CG 3.72Å; W33-P74 HydrophobicContact CE3-CG 3.56Å; W33-P74 HydrophobicContact CG-CG 4.14Å; W33-P74 HydrophobicContact CZ3-CG 4.04Å; F65-P74 HydrophobicContact CD1-CG 4.31Å; F65-P74 HydrophobicContact CD2-CG 4.4Å; F65-P74 HydrophobicContact CE1-CB 4.39Å; F65-P74 HydrophobicContact CE1-CG 4.25Å; F65-P74 HydrophobicContact CE2-CB 4.27Å; F65-P74 HydrophobicContact CE2-CG 4.35Å; F65-P74 HydrophobicContact CG-CG 4.39Å; F65-P74 HydrophobicContact CZ-CB 4.08Å; F65-P74 HydrophobicContact CZ-CG 4.28Å; P74-I99 HydrophobicContact CB-CD1 3.69Å; P74-I99 HydrophobicContact CB-CG1 4.13Å; P74-I99 PolarHBondContact O-N 3.22Å
75K95.5Very high93.2Very high46 Ų4648.8 Ų48.820%0.224%0.236CC..EExtended strand (participates in β ladder)trans-127.9141.9178.2-49.1-171.2-162.1-173.40110K28 F96 C97 H98 Y141K28-K75 PolarHBondContact N-O 3.19Å; K28-K75 PolarHBondContact O-N 3.37Å; K75-F96 HydrophobicContact CD-CD2 4.19Å; K75-F96 HydrophobicContact CD-CE2 4.32Å; K75-C97 CarbonylContact C-O 3.59Å; K75-C97 VanDerWaalsContact CA-O 3.29Å; K75-C97 WeakPolarHBondContact CA-O 3.48Å; K75-H98 WeakPolarHBondContact CE-CE1 3.38Å; K75-Y141 PolarHBondContact NZ-O 3.42Å
76L96Very high92.7Very high0 Ų052.6 Ų52.60%026%0.259CS..EExtended strand (participates in β ladder)trans-98.2135.3167.3-64.1171.1000108.6W25 G26 L27 I61 L63 F78 F96 C97 I99 L159 L161W25-L76 HydrophobicContact CE3-CD2 4.09Å; W25-L76 HydrophobicContact CZ3-CD2 4.14Å; G26-L76 WeakPolarHBondContact O-CA 3.49Å; L27-L76 HydrophobicContact CD1-CD2 4.29Å; I61-L76 HydrophobicContact CD1-CD1 4.13Å; L63-L76 HydrophobicContact CD1-CD2 3.88Å; L76-F78 HydrophobicContact CB-CE1 4.48Å; L76-F78 HydrophobicContact CB-CE2 3.63Å; L76-F78 HydrophobicContact CB-CZ 3.51Å; L76-F78 HydrophobicContact CD1-CZ 4.09Å; L76-F78 HydrophobicContact CG-CZ 4.39Å; L76-F96 CarbonylContact O-C 3.59Å; L76-F96 WeakPolarHBondContact O-CA 3.41Å; L76-F96 VanDerWaalsContact O-CB 3.29Å; L76-F96 WeakPolarHBondContact O-CB 3.36Å; L76-C97 PolarHBondContact N-O 2.76Å; L76-C97 PolarHBondContact O-N 3.23Å; L76-I99 HydrophobicContact CG-CG1 4.32Å; L76-L159 HydrophobicContact CD1-CD1 4.44Å; L76-L161 HydrophobicContact CD1-CD1 4.18Å
77H95.9Very high92.2Very high36 Ų3654.3 Ų54.317%0.16728%0.278CS..EExtended strand (participates in β ladder)trans-119.2150.5171.265.868.9000110W25 G26 G95 F96 V140 Y141W25-H77 CarbonylContact C-O 3.59Å; W25-H77 VanDerWaalsContact CA-O 3.23Å; W25-H77 WeakPolarHBondContact CA-O 3.36Å; G26-H77 WeakPolarHBondContact CA-CE1 3.17Å; G26-H77 PolarHBondContact N-O 3.44Å; G26-H77 PolarHBondContact O-CD2 3.05Å; G26-H77 PolarHBondContact O-N 2.91Å; H77-G95 CarbonylContact C-O 3.53Å; H77-G95 WeakPolarHBondContact CA-O 3.44Å; H77-F96 HydrophobicContact CB-CB 4.11Å; H77-V140 HydrophobicContact CB-CG1 4.49Å; H77-Y141 HydrophobicContact CB-CD1 4.04Å; H77-Y141 AromaticContact CD2-CD1 3.53Å; H77-Y141 AromaticContact CD2-CE1 3.6Å; H77-Y141 AromaticContact CG-CD1 3.95Å
78F96.3Very high91.9Very high0 Ų060.2 Ų60.20%030%0.304CS..EExtended strand (participates in β ladder)trans-135.1148.2-171-56-83.7000110.6I10 K24 W25 L76 Y94 G95 V110 I157 L159I10-F78 HydrophobicContact CD1-CD1 4.25Å; I10-F78 HydrophobicContact CD1-CE1 3.85Å; I10-F78 HydrophobicContact CG1-CE1 4.19Å; K24-F78 CarbonylContact O-C 3.6Å; K24-F78 WeakPolarHBondContact O-CA 3.46Å; W25-F78 HydrophobicContact CB-CD1 3.58Å; W25-F78 HydrophobicContact CB-CE1 3.74Å; L76-F78 HydrophobicContact CB-CE1 4.48Å; L76-F78 HydrophobicContact CB-CE2 3.63Å; L76-F78 HydrophobicContact CB-CZ 3.51Å; L76-F78 HydrophobicContact CD1-CZ 4.09Å; L76-F78 HydrophobicContact CG-CZ 4.39Å; F78-Y94 WeakPolarHBondContact O-CA 3.22Å; F78-G95 PolarHBondContact N-O 3.2Å; F78-G95 PolarHBondContact O-N 3.22Å; F78-V110 HydrophobicContact CD2-CG1 4.18Å; F78-V110 HydrophobicContact CE2-CG2 4.15Å; F78-I157 HydrophobicContact CB-CD1 3.37Å; F78-I157 HydrophobicContact CD1-CD1 4.26Å; F78-I157 HydrophobicContact CD2-CD1 4.28Å; F78-I157 HydrophobicContact CG-CD1 3.72Å; F78-L159 HydrophobicContact CE1-CD1 4.42Å; F78-L159 HydrophobicContact CE1-CD2 3.9Å; F78-L159 HydrophobicContact CE2-CD1 3.82Å; F78-L159 HydrophobicContact CZ-CD1 3.45Å; F78-L159 VanDerWaalsContact CZ-CD1 3.45Å; F78-L159 HydrophobicContact CZ-CD2 3.75Å; F78-L159 HydrophobicContact CZ-CG 4.2Å
79Q95.3Very high91.9Very high38 Ų3855.5 Ų55.518%0.17829%0.287CS..EExtended strand (participates in β ladder)trans-128.6115.9170-47.8-177.913.800107C23 K24 W81 L91 G93 Y94C23-Q79 CarbonylContact C-O 3.41Å; C23-Q79 WeakPolarHBondContact CA-O 3.5Å; K24-Q79 HydrophobicContact CB-CB 4.23Å; K24-Q79 PolarHBondContact N-O 2.86Å; K24-Q79 PolarHBondContact O-N 2.86Å; Q79-W81 VanDerWaalsContact O-CD1 3.29Å; Q79-L91 HydrophobicContact CB-CD1 4.04Å; Q79-G93 CarbonylContact C-O 3.58Å; Q79-G93 WeakPolarHBondContact CA-O 3.5Å; Q79-Y94 HydrophobicContact CB-CD1 4.47Å; Q79-Y94 HydrophobicContact CG-CD1 3.88Å; Q79-Y94 HydrophobicContact CG-CE1 3.99Å
80V96Very high91.9Very high0 Ų056.8 Ų56.80%029%0.285CS..EExtended strand (participates in β ladder)trans-92.8127.6175.3-176.40000108.6F16 L21 Y92 G93 T112 I157F16-V80 HydrophobicContact CD1-CG1 4.3Å; F16-V80 HydrophobicContact CD2-CG1 4.34Å; F16-V80 HydrophobicContact CE1-CB 3.99Å; F16-V80 HydrophobicContact CE1-CG1 3.89Å; F16-V80 HydrophobicContact CE1-CG2 4.32Å; F16-V80 HydrophobicContact CE2-CG1 3.97Å; F16-V80 HydrophobicContact CE2-CG2 4.34Å; F16-V80 HydrophobicContact CZ-CB 3.85Å; F16-V80 HydrophobicContact CZ-CG1 3.72Å; F16-V80 HydrophobicContact CZ-CG2 3.72Å; L21-V80 HydrophobicContact CB-CG1 4.48Å; L21-V80 HydrophobicContact CD1-CG1 4.2Å; L21-V80 HydrophobicContact CD2-CG1 4.06Å; L21-V80 HydrophobicContact CG-CG1 4.48Å; V80-Y92 PolarHBondContact O-N 2.84Å; V80-G93 PolarHBondContact N-O 3.27Å; V80-G93 PolarHBondContact O-N 2.85Å; V80-T112 HydrophobicContact CG2-CG2 4.17Å; V80-I157 HydrophobicContact CG2-CD1 3.54Å; V80-I157 HydrophobicContact CG2-CG1 3.7Å
81W95.3Very high91.9Very high21 Ų2153.1 Ų53.18%0.0827%0.266CS..EExtended strand (participates in β ladder)trans-120141.1-179-66.282.5000109.6L21 F22 Q79 N89 E90 L91L21-W81 CarbonylContact C-O 3.48Å; L21-W81 VanDerWaalsContact CA-O 3.25Å; L21-W81 WeakPolarHBondContact CA-O 3.15Å; F22-W81 HydrophobicContact CD1-CB 3.65Å; F22-W81 HydrophobicContact CD2-CB 4.16Å; F22-W81 HydrophobicContact CE1-CB 3.2Å; F22-W81 HydrophobicContact CE1-CG 4.07Å; F22-W81 HydrophobicContact CE2-CB 3.77Å; F22-W81 AromaticContact CE2-CD1 3.98Å; F22-W81 AromaticContact CE2-CG 3.87Å; F22-W81 HydrophobicContact CE2-CG 3.87Å; F22-W81 HydrophobicContact CG-CB 4.11Å; F22-W81 HydrophobicContact CZ-CB 3.26Å; F22-W81 HydrophobicContact CZ-CD2 4.16Å; F22-W81 AromaticContact CZ-CG 3.6Å; F22-W81 HydrophobicContact CZ-CG 3.6Å; F22-W81 PolarHBondContact N-O 3.19Å; F22-W81 PolarHBondContact O-N 3.46Å; Q79-W81 VanDerWaalsContact O-CD1 3.29Å; W81-N89 HydrophobicContact CE3-CB 4.02Å; W81-N89 HydrophobicContact CZ3-CB 4.4Å; W81-E90 CarbonylContact C-O 3.5Å; W81-E90 VanDerWaalsContact CA-O 3.29Å; W81-E90 WeakPolarHBondContact CA-O 3.39Å; W81-L91 HydrophobicContact CD2-CB 4.28Å; W81-L91 HydrophobicContact CD2-CD1 4Å; W81-L91 HydrophobicContact CE3-CB 3.97Å; W81-L91 HydrophobicContact CG-CD1 4.4Å; W81-L91 HydrophobicContact CH2-CB 4.06Å; W81-L91 HydrophobicContact CH2-CD1 4.42Å; W81-L91 HydrophobicContact CZ2-CB 4.35Å; W81-L91 HydrophobicContact CZ2-CD1 3.86Å; W81-L91 HydrophobicContact CZ3-CB 3.87Å
82H94.3Very high92.1Very high13 Ų1345.9 Ų45.96%0.0623%0.232CC..EExtended strand (participates in β ladder)trans-94.4131.1166.6174.147.1000109.8Q18 D20 L21 N89 E90 Y92Q18-H82 VanDerWaalsContact CB-CE1 3.41Å; Q18-H82 WeakPolarHBondContact CB-CE1 3.5Å; D20-H82 VanDerWaalsContact O-CA 3.31Å; D20-H82 WeakPolarHBondContact O-CA 3.37Å; D20-H82 PolarHBondContact O-ND1 2.9Å; L21-H82 HydrophobicContact CD2-CB 4.14Å; H82-N89 CarbonylContact O-C 3.46Å; H82-N89 WeakPolarHBondContact O-CA 3.48Å; H82-E90 PolarHBondContact N-O 2.94Å; H82-E90 PolarHBondContact O-N 3.3Å; H82-Y92 HydrophobicContact CB-CD1 4.09Å; H82-Y92 HydrophobicContact CB-CD2 3.9Å; H82-Y92 HydrophobicContact CB-CE1 3.71Å; H82-Y92 HydrophobicContact CB-CE2 3.48Å; H82-Y92 VanDerWaalsContact CB-CE2 3.48Å; H82-Y92 HydrophobicContact CB-CG 4.2Å; H82-Y92 AromaticContact CD2-CZ 3.88Å; H82-Y92 PolarHBondContact CD2-OH 2.8Å; H82-Y92 VanDerWaalsContact CD2-OH 3.3Å; H82-Y92 AromaticContact CG-CE2 3.97Å; H82-Y92 AromaticContact CG-CZ 3.67Å
83H92.9Very high92.1Very high60 Ų6044 Ų4428%0.27821%0.213SC..EExtended strand (participates in β ladder)trans-104.2111.3172.1-172.170.2000109.3D20 F22 V46 N89D20-H83 WeakPolarHBondContact CB-O 3.21Å; D20-H83 PolarHBondContact O-N 2.78Å; F22-H83 HydrophobicContact CD1-CB 4.21Å; F22-H83 HydrophobicContact CE1-CB 4.28Å; V46-H83 HydrophobicContact CG1-CB 3.75Å; V46-H83 HydrophobicContact CG2-CB 4.3Å; H83-N89 PolarHBondContact ND1-OD1 2.98Å
84D88.8Confident92.1Very high48 Ų4843 Ų4326%0.25721%0.208SC..  trans-81.9156.8178.5-171.922.1000111.2V86 G87 K88D84-V86 PolarHBondContact O-N 3.28Å; D84-V86 VanDerWaalsContact O-N 3.11Å; D84-G87 WeakPolarHBondContact O-CA 3.33Å; D84-G87 PolarHBondContact O-N 2.9Å; D84-K88 HydrophobicContact CB-CB 4.38Å; D84-K88 PolarHBondContact N-O 2.88Å
85W85.3Confident92.1Very high228 Ų22843 Ų4386%0.86421%0.208SC*.THydrogen-bonded Turntrans-62.2-21.1-179.367.2-88000113.5G87W85-G87 PolarHBondContact O-N 2.63Å
86V85.9Confident92.1Very high81 Ų8143.3 Ų43.349%0.49121%0.21SC..THydrogen-bonded Turntrans-77.4-4.5173.5-169.10000111.9D84D84-V86 PolarHBondContact O-N 3.28Å; D84-V86 VanDerWaalsContact O-N 3.11Å
87G84.2Confident92.1Very high46 Ų4643.9 Ų43.947%0.47421%0.214SC..SBendtrans83.916-17700000114D84 W85D84-G87 WeakPolarHBondContact O-CA 3.33Å; D84-G87 PolarHBondContact O-N 2.9Å; W85-G87 PolarHBondContact O-N 2.63Å
88K87.4Confident92Very high129 Ų12946.6 Ų46.656%0.56123%0.227SC*.  trans-87.1137.4176.9-70-175.5-179.9178.60110.5D84D84-K88 HydrophobicContact CB-CB 4.38Å; D84-K88 PolarHBondContact N-O 2.88Å
89N90.5Very high92Very high73 Ų7346.7 Ų46.739%0.3923%0.227SC..EExtended strand (participates in β ladder)trans-104.6113.8174.9-69.1-21.9000110.6F22 W81 H82 H83F22-N89 HydrophobicContact CE1-CB 4.45Å; F22-N89 HydrophobicContact CZ-CB 4.41Å; W81-N89 HydrophobicContact CE3-CB 4.02Å; W81-N89 HydrophobicContact CZ3-CB 4.4Å; H82-N89 CarbonylContact O-C 3.46Å; H82-N89 WeakPolarHBondContact O-CA 3.48Å; H83-N89 PolarHBondContact ND1-OD1 2.98Å
90E89.8Confident92Very high54 Ų5445.7 Ų45.725%0.25222%0.224SC..EExtended strand (participates in β ladder)trans-103.5132.9173.6-173.7173.3-170.600110.3W81 H82 Y92W81-E90 CarbonylContact C-O 3.5Å; W81-E90 VanDerWaalsContact CA-O 3.29Å; W81-E90 WeakPolarHBondContact CA-O 3.39Å; H82-E90 PolarHBondContact N-O 2.94Å; H82-E90 PolarHBondContact O-N 3.3Å; E90-Y92 HydrophobicContact CG-CD1 4.32Å; E90-Y92 HydrophobicContact CG-CE1 4.3Å; E90-Y92 PolarHBondContact O-N 2.71Å
91L90.8Very high91.9Very high10 Ų1049.4 Ų49.45%0.05225%0.247CC..EExtended strand (participates in β ladder)trans-79122.117417776.5000109.1Q79 W81 Y94 R133Q79-L91 HydrophobicContact CB-CD1 4.04Å; W81-L91 HydrophobicContact CD2-CB 4.28Å; W81-L91 HydrophobicContact CD2-CD1 4Å; W81-L91 HydrophobicContact CE3-CB 3.97Å; W81-L91 HydrophobicContact CG-CD1 4.4Å; W81-L91 HydrophobicContact CH2-CB 4.06Å; W81-L91 HydrophobicContact CH2-CD1 4.42Å; W81-L91 HydrophobicContact CZ2-CB 4.35Å; W81-L91 HydrophobicContact CZ2-CD1 3.86Å; W81-L91 HydrophobicContact CZ3-CB 3.87Å; L91-Y94 HydrophobicContact CD1-CE1 4.36Å; L91-Y94 HydrophobicContact CD2-CD2 4.31Å; L91-Y94 HydrophobicContact CD2-CE1 3.99Å; L91-Y94 HydrophobicContact CD2-CE2 3.45Å; L91-Y94 VanDerWaalsContact CD2-CE2 3.45Å; L91-Y94 WeakPolarHBondContact CD2-OH 3.15Å; L91-R133 HydrophobicContact CD2-CG 4.24Å
92Y92.7Very high91.8Very high9 Ų950.6 Ų50.64%0.03526%0.258CS..EExtended strand (participates in β ladder)trans-91.5-39.6174.9-83.3-2000113.3F16 Q18 L21 V80 H82 E90 R114 M154F16-Y92 HydrophobicContact CB-CD2 3.67Å; F16-Y92 HydrophobicContact CB-CE2 3.92Å; F16-Y92 AromaticContact CD1-CD2 3.67Å; F16-Y92 HydrophobicContact CD1-CD2 3.67Å; F16-Y92 HydrophobicContact CD1-CG 4.13Å; F16-Y92 AromaticContact CG-CD2 3.95Å; F16-Y92 HydrophobicContact CG-CD2 3.95Å; Q18-Y92 HydrophobicContact CB-CE2 4.11Å; Q18-Y92 WeakPolarHBondContact CB-OH 3.44Å; Q18-Y92 WeakPolarHBondContact CG-OH 3.48Å; Q18-Y92 PolarHBondContact N-OH 3.16Å; L21-Y92 HydrophobicContact CD2-CD2 3.62Å; L21-Y92 HydrophobicContact CD2-CE2 3.79Å; V80-Y92 PolarHBondContact O-N 2.84Å; H82-Y92 HydrophobicContact CB-CD1 4.09Å; H82-Y92 HydrophobicContact CB-CD2 3.9Å; H82-Y92 HydrophobicContact CB-CE1 3.71Å; H82-Y92 HydrophobicContact CB-CE2 3.48Å; H82-Y92 VanDerWaalsContact CB-CE2 3.48Å; H82-Y92 HydrophobicContact CB-CG 4.2Å; H82-Y92 AromaticContact CD2-CZ 3.88Å; H82-Y92 PolarHBondContact CD2-OH 2.8Å; H82-Y92 VanDerWaalsContact CD2-OH 3.3Å; H82-Y92 AromaticContact CG-CE2 3.97Å; H82-Y92 AromaticContact CG-CZ 3.67Å; E90-Y92 HydrophobicContact CG-CD1 4.32Å; E90-Y92 HydrophobicContact CG-CE1 4.3Å; E90-Y92 PolarHBondContact O-N 2.71Å; Y92-R114 WeakPolarHBondContact O-CB 3.27Å; Y92-R114 WeakPolarHBondContact O-CD 3.33Å; Y92-M154 HydrophobicContact CD1-CE 4.37Å; Y92-M154 HydrophobicContact CG-CE 4.1Å; Y92-M154 WeakPolarHBondContact O-CE 3.34Å; Y92-M154 VanDerWaalsContact O-CG 3.26Å; Y92-M154 WeakPolarHBondContact O-CG 3.33Å
93G92.3Very high91.8Very high0 Ų053.1 Ų53.10%028%0.276CS..EExtended strand (participates in β ladder)trans-174.9165.1-179.900000114.4Q79 V80 W113Q79-G93 CarbonylContact C-O 3.58Å; Q79-G93 WeakPolarHBondContact CA-O 3.5Å; V80-G93 PolarHBondContact N-O 3.27Å; V80-G93 PolarHBondContact O-N 2.85Å; G93-W113 CarbonylContact C-O 3.59Å; G93-W113 WeakPolarHBondContact CA-O 3.4Å
94Y94.3Very high91.9Very high10 Ų1052 Ų524%0.03928%0.28CS..EExtended strand (participates in β ladder)trans-108.2144.8172.8-59.2-79.2000109.5F78 Q79 L91 T112 W113 L134 V140F78-Y94 WeakPolarHBondContact O-CA 3.22Å; Q79-Y94 HydrophobicContact CB-CD1 4.47Å; Q79-Y94 HydrophobicContact CG-CD1 3.88Å; Q79-Y94 HydrophobicContact CG-CE1 3.99Å; L91-Y94 HydrophobicContact CD1-CE1 4.36Å; L91-Y94 HydrophobicContact CD2-CD2 4.31Å; L91-Y94 HydrophobicContact CD2-CE1 3.99Å; L91-Y94 HydrophobicContact CD2-CE2 3.45Å; L91-Y94 VanDerWaalsContact CD2-CE2 3.45Å; L91-Y94 WeakPolarHBondContact CD2-OH 3.15Å; Y94-T112 CarbonylContact O-C 3.55Å; Y94-T112 WeakPolarHBondContact O-CA 3.35Å; Y94-T112 WeakPolarHBondContact O-CB 3.41Å; Y94-W113 PolarHBondContact N-O 3.16Å; Y94-W113 PolarHBondContact O-N 3.21Å; Y94-L134 HydrophobicContact CD2-CD1 3.71Å; Y94-L134 HydrophobicContact CD2-CG 4.18Å; Y94-L134 HydrophobicContact CE1-CD1 4.46Å; Y94-L134 HydrophobicContact CE2-CB 4.21Å; Y94-L134 HydrophobicContact CE2-CD1 3.58Å; Y94-L134 HydrophobicContact CE2-CG 3.59Å; Y94-L134 HydrophobicContact CG-CD1 4.19Å; Y94-L134 PolarHBondContact OH-N 2.77Å; Y94-V140 HydrophobicContact CD1-CG2 3.58Å; Y94-V140 HydrophobicContact CD2-CG2 4.31Å; Y94-V140 HydrophobicContact CE1-CG2 4.34Å; Y94-V140 HydrophobicContact CG-CG2 3.55Å
95G94.8Very high92.3Very high0 Ų054.3 Ų54.30%029%0.293CS..EExtended strand (participates in β ladder)trans-142161.2172.500000110H77 F78 V140H77-G95 CarbonylContact C-O 3.53Å; H77-G95 WeakPolarHBondContact CA-O 3.44Å; F78-G95 PolarHBondContact N-O 3.2Å; F78-G95 PolarHBondContact O-N 3.22Å; G95-V140 WeakPolarHBondContact O-CG1 3.48Å
96F95.2Very high92.9Very high53 Ų5345.4 Ų45.423%0.23226%0.261CS..EExtended strand (participates in β ladder)trans-150.7155.8165.280.2-83.9000110K75 L76 H77 H98 V110 V140K75-F96 HydrophobicContact CD-CD2 4.19Å; K75-F96 HydrophobicContact CD-CE2 4.32Å; L76-F96 CarbonylContact O-C 3.59Å; L76-F96 WeakPolarHBondContact O-CA 3.41Å; L76-F96 VanDerWaalsContact O-CB 3.29Å; L76-F96 WeakPolarHBondContact O-CB 3.36Å; H77-F96 HydrophobicContact CB-CB 4.11Å; F96-H98 AromaticContact CE2-NE2 3.92Å; F96-V110 WeakPolarHBondContact O-CG1 3.23Å; F96-V140 HydrophobicContact CB-CG1 4.25Å; F96-V140 HydrophobicContact CD1-CG1 4.37Å; F96-V140 WeakPolarHBondContact CD1-O 3.42Å; F96-V140 VanDerWaalsContact CE1-O 3.23Å; F96-V140 WeakPolarHBondContact CE1-O 3.29Å
97C95.7Very high93.5Very high13 Ų1348 Ų489%0.08827%0.268CS..EExtended strand (participates in β ladder)trans-140.8157.7169.767.80000110K75 L76 V108 V110 L159K75-C97 CarbonylContact C-O 3.59Å; K75-C97 VanDerWaalsContact CA-O 3.29Å; K75-C97 WeakPolarHBondContact CA-O 3.48Å; L76-C97 PolarHBondContact N-O 2.76Å; L76-C97 PolarHBondContact O-N 3.23Å; C97-V108 HydrophobicContact CB-CG1 4.04Å; C97-V110 HydrophobicContact CB-CG1 4.45Å; C97-V110 HydrophobicContact CB-CG2 3.75Å; C97-L159 VanDerWaalsContact SG-CD1 3.57Å
98H95.2Very high94.2Very high93 Ų9347.2 Ų47.243%0.43125%0.253SS..EExtended strand (participates in β ladder)trans-79.1147.7166.6-68.7-99.9000108.8K75 F96K75-H98 WeakPolarHBondContact CE-CE1 3.38Å; F96-H98 AromaticContact CE2-NE2 3.92Å
99I95.7Very high94.7Very high1 Ų145.1 Ų45.11%0.00525%0.247CC..PPolyproline II helixtrans-62.2136166.1-62.3-171.1000107.4L4 C6 L63 F65 W73 P74 L76 T101 V163L4-I99 HydrophobicContact CD2-CG2 4.29Å; C6-I99 HydrophobicContact CB-CD1 4.09Å; C6-I99 HydrophobicContact CB-CG2 3.94Å; L63-I99 HydrophobicContact CD1-CD1 4.17Å; F65-I99 HydrophobicContact CE2-CD1 3.97Å; W73-I99 PolarHBondContact NE1-O 3.39Å; P74-I99 HydrophobicContact CB-CD1 3.69Å; P74-I99 HydrophobicContact CB-CG1 4.13Å; P74-I99 PolarHBondContact O-N 3.22Å; L76-I99 HydrophobicContact CG-CG1 4.32Å; I99-T101 PolarHBondContact O-N 2.78Å; I99-V163 HydrophobicContact CG2-CG2 4.08Å
100P95.7Very high95Very high18 Ų1841.7 Ų41.712%0.11723%0.229CC..PPolyproline II helixtrans-54.3139.7176.7-25.233.4000111.6H106 V108 V163P100-H106 HydrophobicContact CB-CB 4.2Å; P100-H106 VanDerWaalsContact CB-CD2 3.49Å; P100-H106 WeakPolarHBondContact CB-CD2 3.49Å; P100-H106 HydrophobicContact CG-CB 3.67Å; P100-V108 HydrophobicContact CG-CG2 3.9Å; P100-V163 HydrophobicContact CB-CG2 4.05Å; P100-V163 HydrophobicContact CG-CG2 4.24Å
101T92.5Very high95.3Very high77 Ų7743 Ų4347%0.47224%0.242SC..SBendtrans-82.9-35.1-178.650.30000111.7W73 I99 M175W73-T101 HydrophobicContact CD2-CG2 4.17Å; W73-T101 HydrophobicContact CH2-CG2 4.32Å; W73-T101 HydrophobicContact CZ2-CG2 3.9Å; I99-T101 PolarHBondContact O-N 2.78Å; T101-M175 WeakPolarHBondContact O-CE 3Å
102S93Very high95.5Very high46 Ų4642.7 Ų42.732%0.32224%0.241SC..SBendtrans-80.2142.9-179.247.40000111.8H106 M175S102-H106 PolarHBondContact O-NE2 2.86Å; S102-H106 PolarHBondContact OG-CE1 2.95Å; S102-M175 WeakPolarHBondContact CA-OXT 3.22Å; S102-M175 WeakPolarHBondContact CB-OXT 3.3Å
103P94.6Very high95.5Very high66 Ų6643 Ų4343%0.42924%0.242SC..SBendtrans-67147.5172.929.1-34.3000110.9V163P103-V163 CarbonylContact C-O 3.51Å; P103-V163 VanDerWaalsContact CA-O 3.26Å; P103-V163 WeakPolarHBondContact CA-O 3.36Å
104G96.1Very high95.4Very high36 Ų3645.2 Ų45.237%0.37125%0.25SS..EExtended strand (participates in β ladder)trans130.5-172.3-179.300000113.5H106 N162 V163G104-H106 PolarHBondContact O-CD2 2.75Å; G104-H106 VanDerWaalsContact O-CD2 3.28Å; G104-N162 CarbonylContact O-C 3.55Å; G104-N162 WeakPolarHBondContact O-CA 3.32Å; G104-V163 PolarHBondContact N-O 2.83Å; G104-V163 PolarHBondContact O-N 3.48Å
105N97.3Very high95Very high97 Ų9745.2 Ų45.252%0.51925%0.252SS..EExtended strand (participates in β ladder)trans-90.9134.6174.4-178.9-89.7000110.1D160 L161 N162N105-D160 PolarHBondContact ND2-OD1 3.38Å; N105-L161 CarbonylContact C-O 3.54Å; N105-N162 WeakPolarHBondContact CB-OD1 3.45Å; N105-N162 PolarHBondContact ND2-ND2 2.85Å; N105-N162 PolarHBondContact ND2-OD1 3.3Å
106H97.9Very high94.4Very high41 Ų4147.3 Ų47.319%0.1926%0.264CS..EExtended strand (participates in β ladder)trans-135.4120.3-175.4-61.7-83.2000110.5P100 S102 G104 V108 L161P100-H106 HydrophobicContact CB-CB 4.2Å; P100-H106 VanDerWaalsContact CB-CD2 3.49Å; P100-H106 WeakPolarHBondContact CB-CD2 3.49Å; P100-H106 HydrophobicContact CG-CB 3.67Å; S102-H106 PolarHBondContact O-NE2 2.86Å; S102-H106 PolarHBondContact OG-CE1 2.95Å; G104-H106 PolarHBondContact O-CD2 2.75Å; G104-H106 VanDerWaalsContact O-CD2 3.28Å; H106-V108 HydrophobicContact CB-CG2 4.17Å; H106-L161 PolarHBondContact N-O 3.06Å; H106-L161 PolarHBondContact O-N 3.26Å
107E97.9Very high93.4Very high137 Ų13745.7 Ų45.764%0.6426%0.262SS*.EExtended strand (participates in β ladder)trans-84.4115.2163-170.6178.288.200109T158 L159E107-T158 HydrophobicContact CG-CG2 3.78Å; E107-L159 CarbonylContact C-O 3.42Å; E107-L159 WeakPolarHBondContact CA-O 3.24Å
108V97.6Very high92.3Very high29 Ų2947.8 Ų47.818%0.17628%0.277CS..EExtended strand (participates in β ladder)trans-111.7117-178.2-1760000109.5C97 P100 H106 V110 L159 L161C97-V108 HydrophobicContact CB-CG1 4.04Å; P100-V108 HydrophobicContact CG-CG2 3.9Å; H106-V108 HydrophobicContact CB-CG2 4.17Å; V108-V110 HydrophobicContact CG1-CG2 4.13Å; V108-L159 HydrophobicContact CB-CB 4.23Å; V108-L159 HydrophobicContact CB-CD1 4.44Å; V108-L159 PolarHBondContact N-O 3.48Å; V108-L159 PolarHBondContact O-N 2.88Å; V108-L161 HydrophobicContact CG2-CD1 4.28Å
109I97.9Very high90.9Very high85 Ų8550.1 Ų50.144%0.43629%0.291SS..EExtended strand (participates in β ladder)trans-93.5115.4173.4-57.9175.7000108.7P111 Y156I109-P111 WeakPolarHBondContact O-CD 3.32Å; I109-Y156 HydrophobicContact CG2-CD1 3.81Å; I109-Y156 HydrophobicContact CG2-CG 4.25Å
110V97.3Very high89.6Confident1 Ų156.1 Ų56.11%0.00632%0.323CS..EExtended strand (participates in β ladder)trans-99.7111.5-178.9-172.20000109.5F78 F96 C97 V108 Y156 I157 L159F78-V110 HydrophobicContact CD2-CG1 4.18Å; F78-V110 HydrophobicContact CE2-CG2 4.15Å; F96-V110 WeakPolarHBondContact O-CG1 3.23Å; C97-V110 HydrophobicContact CB-CG1 4.45Å; C97-V110 HydrophobicContact CB-CG2 3.75Å; V108-V110 HydrophobicContact CG1-CG2 4.13Å; V110-Y156 WeakPolarHBondContact O-CA 3.46Å; V110-I157 HydrophobicContact CB-CB 4.29Å; V110-I157 PolarHBondContact N-O 2.64Å; V110-I157 PolarHBondContact O-N 2.87Å; V110-L159 HydrophobicContact CG2-CD1 3.74Å; V110-L159 HydrophobicContact CG2-CG 4.11Å
111P96.5Very high88.4Confident80 Ų8059.2 Ų59.252%0.51934%0.339SS..EExtended strand (participates in β ladder)trans-69.5136.2172.329-33.2000110.1I109 Y156I109-P111 WeakPolarHBondContact O-CD 3.32Å; P111-Y156 HydrophobicContact CB-CD1 4.14Å; P111-Y156 HydrophobicContact CB-CE1 3.98Å
112T95.3Very high87.1Confident5 Ų557 Ų573%0.03133%0.325CS..EExtended strand (participates in β ladder)trans-107.1152.6175.871.90000111.5F16 V80 Y94 M154 G155 I157F16-T112 WeakPolarHBondContact CE1-OG1 3.4Å; F16-T112 HydrophobicContact CZ-CG2 4.05Å; F16-T112 VanDerWaalsContact CZ-OG1 3.27Å; F16-T112 WeakPolarHBondContact CZ-OG1 3.34Å; V80-T112 HydrophobicContact CG2-CG2 4.17Å; Y94-T112 CarbonylContact O-C 3.55Å; Y94-T112 WeakPolarHBondContact O-CA 3.35Å; Y94-T112 WeakPolarHBondContact O-CB 3.41Å; T112-M154 PolarHBondContact O-N 3.33Å; T112-M154 WeakPolarHBondContact OG1-CB 3.26Å; T112-G155 WeakPolarHBondContact CB-O 3.47Å; T112-G155 PolarHBondContact N-O 2.97Å; T112-G155 PolarHBondContact OG1-N 2.76Å; T112-G155 PolarHBondContact OG1-O 2.87Å; T112-I157 HydrophobicContact CG2-CD1 3.81Å; T112-I157 HydrophobicContact CG2-CG1 4.01Å
113W92.5Very high85.6Confident15 Ų1559.2 Ų59.26%0.05733%0.333CS..EExtended strand (participates in β ladder)trans-144.8155.7-17957.5-87.4000109.9G93 Y94 L134 V140 R146 L149 T151 E152G93-W113 CarbonylContact C-O 3.59Å; G93-W113 WeakPolarHBondContact CA-O 3.4Å; Y94-W113 PolarHBondContact N-O 3.16Å; Y94-W113 PolarHBondContact O-N 3.21Å; W113-L134 HydrophobicContact CH2-CD1 3.94Å; W113-L134 HydrophobicContact CZ3-CD1 4.26Å; W113-V140 HydrophobicContact CH2-CG2 4.46Å; W113-V140 HydrophobicContact CZ2-CB 4.46Å; W113-V140 HydrophobicContact CZ2-CG1 4.44Å; W113-V140 HydrophobicContact CZ2-CG2 4.31Å; W113-R146 VanDerWaalsContact CD1-NH2 3.31Å; W113-R146 VanDerWaalsContact NE1-NH2 3.12Å; W113-L149 HydrophobicContact CH2-CD1 4.38Å; W113-L149 HydrophobicContact CZ3-CD1 4.34Å; W113-T151 HydrophobicContact CD2-CG2 4.4Å; W113-T151 HydrophobicContact CE3-CG2 3.48Å; W113-T151 VanDerWaalsContact CE3-CG2 3.48Å; W113-T151 HydrophobicContact CZ3-CG2 3.68Å; W113-E152 CarbonylContact C-O 3.57Å; W113-E152 VanDerWaalsContact CA-O 3.23Å; W113-E152 WeakPolarHBondContact CA-O 3.28Å; W113-E152 WeakPolarHBondContact CB-O 3.46Å
114R89.3Confident84.2Confident46 Ų4660 Ų6017%0.17434%0.336CS..EExtended strand (participates in β ladder)trans-130.6149.1172.168.8177.4-179.2-176.3-3.7111.2Y92 T151 E152 M154Y92-R114 WeakPolarHBondContact O-CB 3.27Å; Y92-R114 WeakPolarHBondContact O-CD 3.33Å; R114-T151 CarbonylContact O-C 3.55Å; R114-T151 VanDerWaalsContact O-CA 3.22Å; R114-T151 WeakPolarHBondContact O-CA 3.21Å; R114-T151 WeakPolarHBondContact O-CB 3.47Å; R114-E152 HydrophobicContact CG-CG 3.78Å; R114-E152 IonicContact CZ-OE1 3.07Å; R114-E152 PolarHBondContact N-O 2.94Å; R114-E152 IonicContact NE-OE1 2.64Å; R114-E152 PolarHBondContact NE-OE1 3.32Å; R114-E152 IonicContact NH2-OE1 2.67Å; R114-E152 PolarHBondContact NH2-OE1 3.25Å; R114-E152 PolarHBondContact O-N 3.34Å; R114-M154 HydrophobicContact CB-CG 4.26Å; R114-M154 HydrophobicContact CG-CG 3.82Å; R114-M154 HydrophobicContact CG-SD 4.07Å
115P86.1Confident83Confident11 Ų1159 Ų597%0.07132%0.323CS..EExtended strand (participates in β ladder)trans-63.5142.8170.629.1-34.6000109.7P132 L134 Q150P115-P132 HydrophobicContact CG-CB 4.4Å; P115-P132 HydrophobicContact CG-CG 4.43Å; P115-P132 WeakPolarHBondContact CG-O 3.41Å; P115-P132 VanDerWaalsContact O-CG 3.24Å; P115-P132 WeakPolarHBondContact O-CG 3.31Å; P115-L134 HydrophobicContact CB-CD2 4.28Å; P115-L134 HydrophobicContact CG-CD2 4.01Å; P115-L134 HydrophobicContact CG-CG 4.28Å; P115-Q150 CarbonylContact C-O 3.47Å; P115-Q150 WeakPolarHBondContact CA-O 3.33Å
116V82.5Confident81.4Confident43 Ų4363.7 Ų63.726%0.26133%0.334SS..  trans-107.2126.8172.8-177.10000107.1Q150 E152V116-Q150 PolarHBondContact N-O 3.24Å; V116-E152 HydrophobicContact CG2-CB 3.64Å; V116-E152 HydrophobicContact CG2-CG 3.44Å; V116-E152 VanDerWaalsContact CG2-CG 3.44Å
117G73.7Confident79.6Confident19 Ų1969 Ų6920%0.19636%0.363CS..  trans-79.3-169173.400000111.2
118S72.4Confident78.1Confident58 Ų5867.5 Ų67.541%0.40636%0.363SS..  trans-60.3163.5167.669.80000110.9L120 D121 T122S118-L120 PolarHBondContact O-N 3.05Å; S118-D121 WeakPolarHBondContact CB-OD2 3.36Å; S118-D121 PolarHBondContact N-OD2 2.9Å; S118-D121 WeakPolarHBondContact O-CB 3.44Å; S118-D121 PolarHBondContact O-N 2.79Å; S118-D121 PolarHBondContact OG-N 3.41Å; S118-D121 PolarHBondContact OG-OD2 2.82Å; S118-T122 PolarHBondContact O-N 2.84Å; S118-T122 PolarHBondContact O-OG1 2.87Å; S118-T122 VanDerWaalsContact O-OG1 3.07Å
119I66.2Low76.4Confident141 Ų14167.9 Ų67.972%0.72337%0.373SS*.Hα-helixtrans-54.9-38.6176.1-62.9167.1000110.7T122 L123I119-T122 PolarHBondContact O-N 2.81Å; I119-L123 HydrophobicContact CG2-CD1 4.12Å; I119-L123 WeakPolarHBondContact O-CG 3.42Å; I119-L123 PolarHBondContact O-N 2.99Å
120L69.7Low74.8Confident127 Ų12766 Ų6667%0.66537%0.374SS*.Hα-helixtrans-62.9-45.7175-70.1172.6000111.3S118 T122 L123 V124S118-L120 PolarHBondContact O-N 3.05Å; L120-T122 VanDerWaalsContact C-N 3.25Å; L120-T122 PolarHBondContact O-N 3.09Å; L120-L123 PolarHBondContact O-N 3.1Å; L120-V124 WeakPolarHBondContact O-CB 3.29Å; L120-V124 VanDerWaalsContact O-CG2 3.25Å; L120-V124 WeakPolarHBondContact O-CG2 3.44Å; L120-V124 PolarHBondContact O-N 2.64Å
121D70.1Confident73.2Confident84 Ų8466.5 Ų66.545%0.44938%0.38SS..Hα-helixtrans-61.8-36.6176.8-59.7-42.4000111.7S118 S125S118-D121 WeakPolarHBondContact CB-OD2 3.36Å; S118-D121 PolarHBondContact N-OD2 2.9Å; S118-D121 WeakPolarHBondContact O-CB 3.44Å; S118-D121 PolarHBondContact O-N 2.79Å; S118-D121 PolarHBondContact OG-N 3.41Å; S118-D121 PolarHBondContact OG-OD2 2.82Å; D121-S125 VanDerWaalsContact O-CB 3.29Å; D121-S125 WeakPolarHBondContact O-CB 3.45Å; D121-S125 PolarHBondContact O-N 3.23Å; D121-S125 PolarHBondContact O-OG 2.66Å
122T65.5Low71.7Confident31 Ų3165.1 Ų65.119%0.1937%0.371CS..Hα-helixtrans-70.4-38.7178.4-53.90000111.8S118 I119 L120 S125 R126S118-T122 PolarHBondContact O-N 2.84Å; S118-T122 PolarHBondContact O-OG1 2.87Å; S118-T122 VanDerWaalsContact O-OG1 3.07Å; I119-T122 PolarHBondContact O-N 2.81Å; L120-T122 VanDerWaalsContact C-N 3.25Å; L120-T122 PolarHBondContact O-N 3.09Å; T122-S125 WeakPolarHBondContact CA-OG 3.34Å; T122-S125 PolarHBondContact O-OG 2.77Å; T122-R126 WeakPolarHBondContact O-CB 3.31Å; T122-R126 WeakPolarHBondContact O-CG 3.25Å; T122-R126 PolarHBondContact O-N 3.45Å
123L61.7Low70.7Confident91 Ų9171.4 Ų71.448%0.47639%0.394SS..Hα-helixtrans-66.8-45.8173.4-79.4164.2000111.2I119 L120 S125 R126 L127I119-L123 HydrophobicContact CG2-CD1 4.12Å; I119-L123 WeakPolarHBondContact O-CG 3.42Å; I119-L123 PolarHBondContact O-N 2.99Å; L120-L123 PolarHBondContact O-N 3.1Å; L123-S125 VanDerWaalsContact C-N 3.34Å; L123-S125 PolarHBondContact O-N 2.97Å; L123-R126 PolarHBondContact O-N 2.96Å; L123-L127 WeakPolarHBondContact O-CG 3.06Å; L123-L127 PolarHBondContact O-N 3.27Å
124V65.5Low69.5Low83 Ų8371.6 Ų71.650%0.50340%0.396SS..Hα-helixtrans-61.2-44.2176.2171.40000110.3L120 R126 L127 V128L120-V124 WeakPolarHBondContact O-CB 3.29Å; L120-V124 VanDerWaalsContact O-CG2 3.25Å; L120-V124 WeakPolarHBondContact O-CG2 3.44Å; L120-V124 PolarHBondContact O-N 2.64Å; V124-R126 VanDerWaalsContact C-N 3.3Å; V124-R126 PolarHBondContact O-N 3.29Å; V124-L127 PolarHBondContact O-N 2.85Å; V124-V128 HydrophobicContact CG1-CG2 4.12Å; V124-V128 WeakPolarHBondContact O-CB 3.39Å; V124-V128 PolarHBondContact O-N 2.9Å
125S69.5Low68.5Low15 Ų1581.4 Ų81.411%0.10543%0.433CS..Hα-helixtrans-64.5-35.1178.568.10000112.6D121 T122 L123 G129D121-S125 VanDerWaalsContact O-CB 3.29Å; D121-S125 WeakPolarHBondContact O-CB 3.45Å; D121-S125 PolarHBondContact O-N 3.23Å; D121-S125 PolarHBondContact O-OG 2.66Å; T122-S125 WeakPolarHBondContact CA-OG 3.34Å; T122-S125 PolarHBondContact O-OG 2.77Å; L123-S125 VanDerWaalsContact C-N 3.34Å; L123-S125 PolarHBondContact O-N 2.97Å; S125-G129 CarbonylContact O-C 3.57Å; S125-G129 WeakPolarHBondContact O-CA 3.4Å; S125-G129 PolarHBondContact O-N 2.97Å
126R65.2Low67.8Low195 Ų19588.3 Ų88.374%0.73646%0.458SS*.Hα-helixtrans-70.3-34.5174.5-76.4-179.6-176.7-172.52.4112.9T122 L123 V124T122-R126 WeakPolarHBondContact O-CB 3.31Å; T122-R126 WeakPolarHBondContact O-CG 3.25Å; T122-R126 PolarHBondContact O-N 3.45Å; L123-R126 PolarHBondContact O-N 2.96Å; V124-R126 VanDerWaalsContact C-N 3.3Å; V124-R126 PolarHBondContact O-N 3.29Å
127L59.4Low67.4Low152 Ų15289 Ų8980%0.79646%0.463SS*.Hα-helixtrans-83.9-43.4-177.4-72.3172000113.2L123 V124L123-L127 WeakPolarHBondContact O-CG 3.06Å; L123-L127 PolarHBondContact O-N 3.27Å; V124-L127 PolarHBondContact O-N 2.85Å
128V65.2Low67.5Low106 Ų10691.9 Ų91.964%0.64247%0.474SS*.Hα-helixtrans-92.6-22.3-175.5-177.20000111.3V124V124-V128 HydrophobicContact CG1-CG2 4.12Å; V124-V128 WeakPolarHBondContact O-CB 3.39Å; V124-V128 PolarHBondContact O-N 2.9Å
129G62.9Low67.7Low37 Ų3790.3 Ų90.338%0.38146%0.461SS..SBendtrans78156-162.800000111S125S125-G129 CarbonylContact O-C 3.57Å; S125-G129 WeakPolarHBondContact O-CA 3.4Å; S125-G129 PolarHBondContact O-N 2.97Å
130G64.2Low68.1Low45 Ų4583.8 Ų83.846%0.46443%0.427SS..  trans94.670.8177.400000113.4
131G63.9Low68.4Low13 Ų1378.8 Ų78.813%0.13440%0.4CS..  trans-54.5160.9171.100000114.2R133G131-R133 PolarHBondContact O-N 2.84Å
132P65.6Low68.8Low50 Ų5077.9 Ų77.933%0.32540%0.395SS..  trans-55.3126.5177.825.1-35.3000110.3P115P115-P132 HydrophobicContact CG-CB 4.4Å; P115-P132 HydrophobicContact CG-CG 4.43Å; P115-P132 WeakPolarHBondContact CG-O 3.41Å; P115-P132 VanDerWaalsContact O-CG 3.24Å; P115-P132 WeakPolarHBondContact O-CG 3.31Å
133R72.6Confident69.2Low137 Ų13781 Ų8152%0.51742%0.416SS..  trans-104.3145.5175-61-177-175.8-174-0109L91 G131 R135L91-R133 HydrophobicContact CD2-CG 4.24Å; G131-R133 PolarHBondContact O-N 2.84Å; R133-R135 PolarHBondContact O-N 2.84Å
134L69.1Low69.7Low19 Ų1980.8 Ų80.810%0.09942%0.419CS..  trans-65.9126172.9-66.3174000109Y94 W113 P115 R136 V140 L149Y94-L134 HydrophobicContact CD2-CD1 3.71Å; Y94-L134 HydrophobicContact CD2-CG 4.18Å; Y94-L134 HydrophobicContact CE1-CD1 4.46Å; Y94-L134 HydrophobicContact CE2-CB 4.21Å; Y94-L134 HydrophobicContact CE2-CD1 3.58Å; Y94-L134 HydrophobicContact CE2-CG 3.59Å; Y94-L134 HydrophobicContact CG-CD1 4.19Å; Y94-L134 PolarHBondContact OH-N 2.77Å; W113-L134 HydrophobicContact CH2-CD1 3.94Å; W113-L134 HydrophobicContact CZ3-CD1 4.26Å; P115-L134 HydrophobicContact CB-CD2 4.28Å; P115-L134 HydrophobicContact CG-CD2 4.01Å; P115-L134 HydrophobicContact CG-CG 4.28Å; L134-R136 PolarHBondContact O-N 2.83Å; L134-V140 HydrophobicContact CD1-CG2 3.57Å; L134-L149 HydrophobicContact CD2-CD1 3.6Å; L134-L149 HydrophobicContact CD2-CD2 4.38Å
135R67.2Low70Confident252 Ų25279.6 Ų79.695%0.95141%0.409SS*.SBendtrans-61.3-31.1173-70.3-175.2178.7-1790.2111.7R133R133-R135 PolarHBondContact O-N 2.84Å
136R71.4Confident70.2Confident157 Ų15783 Ų8359%0.59242%0.42SS*.SBendtrans-123.9107.3172.8-62.5-175.8-164146.10.9108.4L134 D138 I139 D145L134-R136 PolarHBondContact O-N 2.83Å; R136-D138 PolarHBondContact O-N 2.9Å; R136-I139 HydrophobicContact CB-CD1 4.08Å; R136-I139 HydrophobicContact CB-CG1 4.16Å; R136-I139 WeakPolarHBondContact O-CG1 3.42Å; R136-I139 PolarHBondContact O-N 2.86Å; R136-D145 IonicContact NH1-OD2 3.87Å
137P74.5Confident70.7Confident57 Ų5781.6 Ų81.637%0.3742%0.419SS..G310 helixtrans-65.1-16.5177.727.6-34.1000112.2I139 V140P137-I139 PolarHBondContact O-N 2.84Å; P137-V140 VanDerWaalsContact O-CB 3.24Å; P137-V140 WeakPolarHBondContact O-CB 3.4Å; P137-V140 WeakPolarHBondContact O-CG2 3.44Å; P137-V140 PolarHBondContact O-N 3.39Å
138D76Confident71.5Confident80 Ų8080.1 Ų80.143%0.42841%0.411SS..G310 helixtrans-62.9-25.7179.4-56.4-29.1000113.6R136 V140 Y141 D142R136-D138 PolarHBondContact O-N 2.9Å; D138-V140 PolarHBondContact O-N 2.91Å; D138-Y141 HydrophobicContact CB-CE1 4.27Å; D138-Y141 HydrophobicContact CB-CE2 4.1Å; D138-Y141 WeakPolarHBondContact CB-OH 3.25Å; D138-Y141 WeakPolarHBondContact O-CD2 3.41Å; D138-Y141 PolarHBondContact O-N 3Å; D138-Y141 VanDerWaalsContact O-N 3.07Å; D138-Y141 PolarHBondContact OD1-OH 2.9Å; D138-D142 WeakPolarHBondContact O-CB 3.37Å; D138-D142 PolarHBondContact O-N 2.83Å
139I76.3Confident72.3Confident25 Ų2577.6 Ų77.613%0.12839%0.394CS..G310 helixtrans-59.1-19.4175.3-58.7170000111.2R136 P137 Y141 D142 D145 R146 L149R136-I139 HydrophobicContact CB-CD1 4.08Å; R136-I139 HydrophobicContact CB-CG1 4.16Å; R136-I139 WeakPolarHBondContact O-CG1 3.42Å; R136-I139 PolarHBondContact O-N 2.86Å; P137-I139 PolarHBondContact O-N 2.84Å; I139-Y141 VanDerWaalsContact C-N 3.31Å; I139-Y141 PolarHBondContact O-N 2.93Å; I139-D142 VanDerWaalsContact O-O 3.08Å; I139-D145 HydrophobicContact CD1-CB 4.35Å; I139-D145 HydrophobicContact CG1-CB 4.38Å; I139-D145 HydrophobicContact CG2-CB 4.45Å; I139-R146 HydrophobicContact CG2-CB 4.38Å; I139-L149 HydrophobicContact CG2-CD1 3.83Å
140V75.3Confident73.2Confident4 Ų483 Ų832%0.02441%0.41CS..G310 helixtrans-61.8-41.2176.7178.50000111.4H77 Y94 G95 F96 W113 L134 P137 D138H77-V140 HydrophobicContact CB-CG1 4.49Å; Y94-V140 HydrophobicContact CD1-CG2 3.58Å; Y94-V140 HydrophobicContact CD2-CG2 4.31Å; Y94-V140 HydrophobicContact CE1-CG2 4.34Å; Y94-V140 HydrophobicContact CG-CG2 3.55Å; G95-V140 WeakPolarHBondContact O-CG1 3.48Å; F96-V140 HydrophobicContact CB-CG1 4.25Å; F96-V140 HydrophobicContact CD1-CG1 4.37Å; F96-V140 WeakPolarHBondContact CD1-O 3.42Å; F96-V140 VanDerWaalsContact CE1-O 3.23Å; F96-V140 WeakPolarHBondContact CE1-O 3.29Å; W113-V140 HydrophobicContact CH2-CG2 4.46Å; W113-V140 HydrophobicContact CZ2-CB 4.46Å; W113-V140 HydrophobicContact CZ2-CG1 4.44Å; W113-V140 HydrophobicContact CZ2-CG2 4.31Å; L134-V140 HydrophobicContact CD1-CG2 3.57Å; P137-V140 VanDerWaalsContact O-CB 3.24Å; P137-V140 WeakPolarHBondContact O-CB 3.4Å; P137-V140 WeakPolarHBondContact O-CG2 3.44Å; P137-V140 PolarHBondContact O-N 3.39Å; D138-V140 PolarHBondContact O-N 2.91Å
141Y74.5Confident74.4Confident21 Ų2183.8 Ų83.88%0.08241%0.406CS..THydrogen-bonded Turntrans-113.5-10.4-174.757.3-107.2000114K28 K75 H77 D138 I139K28-Y141 HydrophobicContact CB-CD1 4.49Å; K28-Y141 HydrophobicContact CB-CD2 4.13Å; K28-Y141 HydrophobicContact CB-CE1 4.47Å; K28-Y141 HydrophobicContact CB-CE2 4.13Å; K28-Y141 HydrophobicContact CB-CG 4.3Å; K28-Y141 HydrophobicContact CD-CD2 4.28Å; K28-Y141 HydrophobicContact CD-CE2 3.56Å; K28-Y141 HydrophobicContact CG-CD2 3.73Å; K28-Y141 HydrophobicContact CG-CE2 3.53Å; K28-Y141 HydrophobicContact CG-CG 4.4Å; K28-Y141 PolarHBondContact NZ-OH 2.75Å; K75-Y141 PolarHBondContact NZ-O 3.42Å; H77-Y141 HydrophobicContact CB-CD1 4.04Å; H77-Y141 AromaticContact CD2-CD1 3.53Å; H77-Y141 AromaticContact CD2-CE1 3.6Å; H77-Y141 AromaticContact CG-CD1 3.95Å; D138-Y141 HydrophobicContact CB-CE1 4.27Å; D138-Y141 HydrophobicContact CB-CE2 4.1Å; D138-Y141 WeakPolarHBondContact CB-OH 3.25Å; D138-Y141 WeakPolarHBondContact O-CD2 3.41Å; D138-Y141 PolarHBondContact O-N 3Å; D138-Y141 VanDerWaalsContact O-N 3.07Å; D138-Y141 PolarHBondContact OD1-OH 2.9Å; I139-Y141 VanDerWaalsContact C-N 3.31Å; I139-Y141 PolarHBondContact O-N 2.93Å
142D79Confident75.6Confident66 Ų6686.5 Ų86.535%0.35342%0.415SS..  trans-101115.5171.7-167.1-34.3000110D138 I139 T144D138-D142 WeakPolarHBondContact O-CB 3.37Å; D138-D142 PolarHBondContact O-N 2.83Å; I139-D142 VanDerWaalsContact O-O 3.08Å; D142-T144 VanDerWaalsContact CG-OG1 3.28Å; D142-T144 PolarHBondContact O-N 2.72Å; D142-T144 WeakPolarHBondContact OD1-CB 3.07Å; D142-T144 WeakPolarHBondContact OD1-CG2 3.33Å; D142-T144 PolarHBondContact OD1-N 2.92Å; D142-T144 PolarHBondContact OD1-OG1 3.21Å
143P73.5Confident76.9Confident97 Ų9789 Ų8963%0.6343%0.433SS*.  trans-72.3-12.8-17531-36.2000113.9D145 R146P143-D145 PolarHBondContact O-N 2.96Å; P143-R146 PolarHBondContact O-N 3.2Å
144T73.2Confident77.9Confident86 Ų8683.5 Ų83.553%0.52841%0.414SS..THydrogen-bonded Turntrans-53-45.5-166.943.60000114D142 F147D142-T144 VanDerWaalsContact CG-OG1 3.28Å; D142-T144 PolarHBondContact O-N 2.72Å; D142-T144 WeakPolarHBondContact OD1-CB 3.07Å; D142-T144 WeakPolarHBondContact OD1-CG2 3.33Å; D142-T144 PolarHBondContact OD1-N 2.92Å; D142-T144 PolarHBondContact OD1-OG1 3.21Å; T144-F147 VanDerWaalsContact O-CD1 3.3Å; T144-F147 WeakPolarHBondContact O-CD1 3.5Å; T144-F147 WeakPolarHBondContact O-CE1 3.07Å
145D70.8Confident79.1Confident58 Ų5882.7 Ų82.731%0.3141%0.41SS..THydrogen-bonded Turntrans-105.40.5-176.4-68.5-30.6000113.5R136 I139 P143 F147 L148R136-D145 IonicContact NH1-OD2 3.87Å; I139-D145 HydrophobicContact CD1-CB 4.35Å; I139-D145 HydrophobicContact CG1-CB 4.38Å; I139-D145 HydrophobicContact CG2-CB 4.45Å; P143-D145 PolarHBondContact O-N 2.96Å; D145-F147 PolarHBondContact O-N 3.07Å; D145-L148 WeakPolarHBondContact O-CB 3.19Å; D145-L148 PolarHBondContact O-N 2.91Å; D145-L148 VanDerWaalsContact O-N 3.16Å
146R74.2Confident80.6Confident87 Ų8775.6 Ų75.633%0.32838%0.383SS..G310 helixtrans-65-28.6-170.7-171.6172.9177.4179.7-2.3112.9W113 I139 P143 L148 L149W113-R146 VanDerWaalsContact CD1-NH2 3.31Å; W113-R146 VanDerWaalsContact NE1-NH2 3.12Å; I139-R146 HydrophobicContact CG2-CB 4.38Å; P143-R146 PolarHBondContact O-N 3.2Å; R146-L148 PolarHBondContact O-N 2.99Å; R146-L149 PolarHBondContact O-N 2.85Å
147F75Confident81.9Confident164 Ų16468.1 Ų68.172%0.71936%0.355SS*.G310 helixtrans-67.9-17.5179.971.2-94000113.8T144 D145 L149T144-F147 VanDerWaalsContact O-CD1 3.3Å; T144-F147 WeakPolarHBondContact O-CD1 3.5Å; T144-F147 WeakPolarHBondContact O-CE1 3.07Å; D145-F147 PolarHBondContact O-N 3.07Å; F147-L149 VanDerWaalsContact C-N 3.31Å
148L77.3Confident83Confident121 Ų12165.7 Ų65.763%0.63434%0.34SS*.G310 helixtrans-82.4-12.3177.8-64.4172.7000112.7D145 R146D145-L148 WeakPolarHBondContact O-CB 3.19Å; D145-L148 PolarHBondContact O-N 2.91Å; D145-L148 VanDerWaalsContact O-N 3.16Å; R146-L148 PolarHBondContact O-N 2.99Å
149L81.2Confident84Confident53 Ų5361.9 Ų61.928%0.27732%0.319SS..  trans-94.9130.5-175-61175.8000110.6W113 L134 I139 R146 F147 T151W113-L149 HydrophobicContact CH2-CD1 4.38Å; W113-L149 HydrophobicContact CZ3-CD1 4.34Å; L134-L149 HydrophobicContact CD2-CD1 3.6Å; L134-L149 HydrophobicContact CD2-CD2 4.38Å; I139-L149 HydrophobicContact CG2-CD1 3.83Å; R146-L149 PolarHBondContact O-N 2.85Å; F147-L149 VanDerWaalsContact C-N 3.31Å; L149-T151 HydrophobicContact CB-CG2 3.94Å
150Q83.4Confident85.1Confident151 Ų15162.7 Ų62.771%0.70632%0.324SS*.  trans-78.7128158.5-67.4-174.5-17.400107.8P115 V116P115-Q150 CarbonylContact C-O 3.47Å; P115-Q150 WeakPolarHBondContact CA-O 3.33Å; V116-Q150 PolarHBondContact N-O 3.24Å
151T87.9Confident86.1Confident62 Ų6262.5 Ų62.538%0.3832%0.323SS..EExtended strand (participates in β ladder)trans-132.9149.2-175.862.70000110.6W113 R114 L149W113-T151 HydrophobicContact CD2-CG2 4.4Å; W113-T151 HydrophobicContact CE3-CG2 3.48Å; W113-T151 VanDerWaalsContact CE3-CG2 3.48Å; W113-T151 HydrophobicContact CZ3-CG2 3.68Å; R114-T151 CarbonylContact O-C 3.55Å; R114-T151 VanDerWaalsContact O-CA 3.22Å; R114-T151 WeakPolarHBondContact O-CA 3.21Å; R114-T151 WeakPolarHBondContact O-CB 3.47Å; L149-T151 HydrophobicContact CB-CG2 3.94Å
152E89.8Confident87.3Confident70 Ų7063.5 Ų63.533%0.32733%0.329SS..EExtended strand (participates in β ladder)trans-115.7150.9167.266.9-174.8-171.300110.8W113 R114 V116W113-E152 CarbonylContact C-O 3.57Å; W113-E152 VanDerWaalsContact CA-O 3.23Å; W113-E152 WeakPolarHBondContact CA-O 3.28Å; W113-E152 WeakPolarHBondContact CB-O 3.46Å; R114-E152 HydrophobicContact CG-CG 3.78Å; R114-E152 IonicContact CZ-OE1 3.07Å; R114-E152 PolarHBondContact N-O 2.94Å; R114-E152 IonicContact NE-OE1 2.64Å; R114-E152 PolarHBondContact NE-OE1 3.32Å; R114-E152 IonicContact NH2-OE1 2.67Å; R114-E152 PolarHBondContact NH2-OE1 3.25Å; R114-E152 PolarHBondContact O-N 3.34Å; V116-E152 HydrophobicContact CG2-CB 3.64Å; V116-E152 HydrophobicContact CG2-CG 3.44Å; V116-E152 VanDerWaalsContact CG2-CG 3.44Å
153S92.5Very high88.1Confident102 Ų10260.5 Ų60.571%0.71331%0.313SS*.EExtended strand (participates in β ladder)trans-71.6139.7173.454.70000110.4
154M93.6Very high89.2Confident22 Ų2259.4 Ų59.411%0.10831%0.305CS..EExtended strand (participates in β ladder)trans-116.3-147.5173.9-66.9-67.8-66.600108.7F16 P17 Y92 T112 R114F16-M154 HydrophobicContact CD1-CB 4.29Å; F16-M154 HydrophobicContact CD1-CE 4.26Å; F16-M154 HydrophobicContact CE1-CB 3.93Å; P17-M154 HydrophobicContact CG-CE 4.04Å; Y92-M154 HydrophobicContact CD1-CE 4.37Å; Y92-M154 HydrophobicContact CG-CE 4.1Å; Y92-M154 WeakPolarHBondContact O-CE 3.34Å; Y92-M154 VanDerWaalsContact O-CG 3.26Å; Y92-M154 WeakPolarHBondContact O-CG 3.33Å; T112-M154 PolarHBondContact O-N 3.33Å; T112-M154 WeakPolarHBondContact OG1-CB 3.26Å; R114-M154 HydrophobicContact CB-CG 4.26Å; R114-M154 HydrophobicContact CG-CG 3.82Å; R114-M154 HydrophobicContact CG-SD 4.07Å
155G95.5Very high90.2Very high1 Ų157 Ų571%0.0129%0.29CS..EExtended strand (participates in β ladder)trans-78.7-163.9178.400000113.8Y14 G15 T112Y14-G155 CarbonylContact O-C 3.59Å; Y14-G155 WeakPolarHBondContact O-CA 3.41Å; G15-G155 WeakPolarHBondContact O-CA 3.5Å; T112-G155 WeakPolarHBondContact CB-O 3.47Å; T112-G155 PolarHBondContact N-O 2.97Å; T112-G155 PolarHBondContact OG1-N 2.76Å; T112-G155 PolarHBondContact OG1-O 2.87Å
156Y97.9Very high91.3Very high103 Ų10360.9 Ų60.940%0.40430%0.3SS..EExtended strand (participates in β ladder)trans-125.4148.2-177.8-59.3-90000110.3A13 Y14 I109 V110 P111A13-Y156 CarbonylContact C-O 3.56Å; A13-Y156 VanDerWaalsContact CA-O 3.28Å; A13-Y156 WeakPolarHBondContact CA-O 3.5Å; Y14-Y156 AromaticContact CE2-CD2 3.94Å; Y14-Y156 HydrophobicContact CE2-CD2 3.94Å; Y14-Y156 HydrophobicContact CE2-CG 4.33Å; Y14-Y156 PolarHBondContact N-O 2.67Å; Y14-Y156 PolarHBondContact O-N 2.8Å; I109-Y156 HydrophobicContact CG2-CD1 3.81Å; I109-Y156 HydrophobicContact CG2-CG 4.25Å; V110-Y156 WeakPolarHBondContact O-CA 3.46Å; P111-Y156 HydrophobicContact CB-CD1 4.14Å; P111-Y156 HydrophobicContact CB-CE1 3.98Å
157I97.7Very high92.1Very high0 Ų058.3 Ų58.30%029%0.293CS..EExtended strand (participates in β ladder)trans-109.1134166.9-58.9157.1000107.7I10 C12 A13 F78 V80 V110 T112 L159I10-I157 HydrophobicContact CG2-CG2 3.75Å; C12-I157 WeakPolarHBondContact O-CA 3.12Å; A13-I157 HydrophobicContact CB-CG1 4.43Å; F78-I157 HydrophobicContact CB-CD1 3.37Å; F78-I157 HydrophobicContact CD1-CD1 4.26Å; F78-I157 HydrophobicContact CD2-CD1 4.28Å; F78-I157 HydrophobicContact CG-CD1 3.72Å; V80-I157 HydrophobicContact CG2-CD1 3.54Å; V80-I157 HydrophobicContact CG2-CG1 3.7Å; V110-I157 HydrophobicContact CB-CB 4.29Å; V110-I157 PolarHBondContact N-O 2.64Å; V110-I157 PolarHBondContact O-N 2.87Å; T112-I157 HydrophobicContact CG2-CD1 3.81Å; T112-I157 HydrophobicContact CG2-CG1 4.01Å; I157-L159 HydrophobicContact CG2-CD2 3.79Å; I157-L159 HydrophobicContact CG2-CG 4.44Å
158T98.2Very high92.8Very high7 Ų750.8 Ų50.84%0.04326%0.26CS..EExtended strand (participates in β ladder)trans-101.4128170.3-58.90000109.5L11 C12 Y14 E107L11-T158 HydrophobicContact CB-CG2 4.42Å; L11-T158 WeakPolarHBondContact CB-O 3.38Å; L11-T158 HydrophobicContact CD2-CG2 4.01Å; L11-T158 PolarHBondContact N-O 2.98Å; C12-T158 PolarHBondContact N-O 2.97Å; C12-T158 PolarHBondContact O-N 3.19Å; Y14-T158 WeakPolarHBondContact CE1-OG1 3.19Å; E107-T158 HydrophobicContact CG-CG2 3.78Å
159L98.1Very high93.3Very high0 Ų050.4 Ų50.40%026%0.259CS..EExtended strand (participates in β ladder)trans-112.3144.9172.6-48.3174.6000109.1Q9 I10 L76 F78 C97 E107 V108 V110 I157 L161Q9-L159 WeakPolarHBondContact O-CA 3.31Å; I10-L159 HydrophobicContact CB-CD2 4.03Å; I10-L159 HydrophobicContact CG1-CD2 3.9Å; I10-L159 HydrophobicContact CG2-CD2 3.8Å; L76-L159 HydrophobicContact CD1-CD1 4.44Å; F78-L159 HydrophobicContact CE1-CD1 4.42Å; F78-L159 HydrophobicContact CE1-CD2 3.9Å; F78-L159 HydrophobicContact CE2-CD1 3.82Å; F78-L159 HydrophobicContact CZ-CD1 3.45Å; F78-L159 VanDerWaalsContact CZ-CD1 3.45Å; F78-L159 HydrophobicContact CZ-CD2 3.75Å; F78-L159 HydrophobicContact CZ-CG 4.2Å; C97-L159 VanDerWaalsContact SG-CD1 3.57Å; E107-L159 CarbonylContact C-O 3.42Å; E107-L159 WeakPolarHBondContact CA-O 3.24Å; V108-L159 HydrophobicContact CB-CB 4.23Å; V108-L159 HydrophobicContact CB-CD1 4.44Å; V108-L159 PolarHBondContact N-O 3.48Å; V108-L159 PolarHBondContact O-N 2.88Å; V110-L159 HydrophobicContact CG2-CD1 3.74Å; V110-L159 HydrophobicContact CG2-CG 4.11Å; I157-L159 HydrophobicContact CG2-CD2 3.79Å; I157-L159 HydrophobicContact CG2-CG 4.44Å; L159-L161 HydrophobicContact CB-CD1 4.35Å; L159-L161 HydrophobicContact CB-CD2 4.37Å; L159-L161 HydrophobicContact CB-CG 4.01Å; L159-L161 HydrophobicContact CD1-CD1 4.15Å
160D98Very high93.6Very high41 Ų4155 Ų5522%0.21928%0.277CS..EExtended strand (participates in β ladder)trans-117107168173.116000107G8 Q9 N105G8-D160 CarbonylContact C-O 3.5Å; G8-D160 WeakPolarHBondContact CA-O 3.25Å; Q9-D160 HydrophobicContact CG-CB 4.1Å; Q9-D160 PolarHBondContact N-O 2.82Å; Q9-D160 PolarHBondContact O-N 3.49Å; N105-D160 PolarHBondContact ND2-OD1 3.38Å
161L97.9Very high93.5Very high0 Ų054 Ų540%027%0.27CS..EExtended strand (participates in β ladder)trans-120.8128.8-171.8-59.9179.8000110.5I61 L76 N105 H106 V108 L159I61-L161 HydrophobicContact CD1-CD2 4.24Å; L76-L161 HydrophobicContact CD1-CD1 4.18Å; N105-L161 CarbonylContact C-O 3.54Å; H106-L161 PolarHBondContact N-O 3.06Å; H106-L161 PolarHBondContact O-N 3.26Å; V108-L161 HydrophobicContact CG2-CD1 4.28Å; L159-L161 HydrophobicContact CB-CD1 4.35Å; L159-L161 HydrophobicContact CB-CD2 4.37Å; L159-L161 HydrophobicContact CB-CG 4.01Å; L159-L161 HydrophobicContact CD1-CD1 4.15Å
162N97.8Very high93.1Very high42 Ų4254.4 Ų54.423%0.22529%0.287CS..EExtended strand (participates in β ladder)trans-104.2124.3171.3-63.7-85.1000108.9C6 F7 G104 N105C6-N162 WeakPolarHBondContact CA-O 3.1Å; F7-N162 HydrophobicContact CD1-CB 4.36Å; F7-N162 HydrophobicContact CD2-CB 3.88Å; F7-N162 HydrophobicContact CE1-CB 3.98Å; F7-N162 HydrophobicContact CE2-CB 3.45Å; F7-N162 VanDerWaalsContact CE2-CB 3.45Å; F7-N162 HydrophobicContact CG-CB 4.31Å; F7-N162 HydrophobicContact CZ-CB 3.51Å; F7-N162 PolarHBondContact N-O 2.98Å; F7-N162 WeakPolarHBondContact O-CA 3.29Å; F7-N162 WeakPolarHBondContact O-CB 3.45Å; F7-N162 PolarHBondContact O-N 2.91Å; G104-N162 CarbonylContact O-C 3.55Å; G104-N162 WeakPolarHBondContact O-CA 3.32Å; N105-N162 WeakPolarHBondContact CB-OD1 3.45Å; N105-N162 PolarHBondContact ND2-ND2 2.85Å; N105-N162 PolarHBondContact ND2-OD1 3.3Å
163V97.4Very high92.7Very high3 Ų352.7 Ų52.72%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-112.5126.8-178.1178.20000109.5L4 H5 I99 P100 P103 G104 T165L4-V163 HydrophobicContact CD1-CG1 3.48Å; L4-V163 VanDerWaalsContact CD1-CG1 3.48Å; H5-V163 CarbonylContact O-C 3.52Å; H5-V163 WeakPolarHBondContact O-CA 3.37Å; I99-V163 HydrophobicContact CG2-CG2 4.08Å; P100-V163 HydrophobicContact CB-CG2 4.05Å; P100-V163 HydrophobicContact CG-CG2 4.24Å; P103-V163 CarbonylContact C-O 3.51Å; P103-V163 VanDerWaalsContact CA-O 3.26Å; P103-V163 WeakPolarHBondContact CA-O 3.36Å; G104-V163 PolarHBondContact N-O 2.83Å; G104-V163 PolarHBondContact O-N 3.48Å; V163-T165 HydrophobicContact CG1-CG2 4.22Å
164V96.2Very high92Very high74 Ų7457.3 Ų57.345%0.44829%0.291SS..EExtended strand (participates in β ladder)trans-123.3127173.6177.10000108.4H5 F7H5-V164 HydrophobicContact CB-CB 4.16Å; H5-V164 PolarHBondContact N-O 2.68Å; H5-V164 PolarHBondContact O-N 3.46Å; F7-V164 HydrophobicContact CE1-CG2 3.88Å; F7-V164 HydrophobicContact CZ-CG2 4.44Å
165T94.1Very high91.2Very high36 Ų3660 Ų6022%0.22131%0.305CS..EExtended strand (participates in β ladder)trans-110.7144.1179.959.30000109.8L4 V163 F168 M175L4-T165 HydrophobicContact CD1-CG2 3.82Å; V163-T165 HydrophobicContact CG1-CG2 4.22Å; T165-F168 HydrophobicContact CG2-CD2 4.23Å; T165-F168 HydrophobicContact CG2-CE2 4.21Å; T165-M175 HydrophobicContact CG2-CE 3.79Å
166R93.1Very high91Very high140 Ų14063 Ų6353%0.52832%0.32SS..EExtended strand (participates in β ladder)trans-135.9134.3178.9-175.8-169.3-179.8-165.86.8110.6A2 E3 F168A2-R166 WeakPolarHBondContact CA-O 3.46Å; E3-R166 HydrophobicContact CB-CB 4.21Å; E3-R166 PolarHBondContact N-O 3.39Å; E3-R166 PolarHBondContact O-N 3.31Å; E3-R166 IonicContact OE1-NH1 3.45Å; E3-R166 PolarHBondContact OE1-NH1 2.96Å; E3-R166 WeakPolarHBondContact OE2-CD 3.49Å; E3-R166 IonicContact OE2-CZ 2.63Å; E3-R166 IonicContact OE2-NH1 2.92Å; E3-R166 PolarHBondContact OE2-NH1 2.83Å; R166-F168 PolarHBondContact O-N 2.86Å
167N92.2Very high90.7Very high32 Ų3260.9 Ų60.917%0.17132%0.315CS..SBendtrans61.914.4178-56.3-47.5000115.3D169 K170 F171N167-D169 VanDerWaalsContact C-N 3.32Å; N167-D169 WeakPolarHBondContact CA-OD1 3.23Å; N167-K170 HydrophobicContact CB-CD 4.09Å; N167-K170 PolarHBondContact O-N 3.11Å; N167-K170 WeakPolarHBondContact OD1-CE 3.42Å; N167-K170 PolarHBondContact OD1-NZ 2.8Å; N167-F171 HydrophobicContact CB-CE2 4.49Å; N167-F171 WeakPolarHBondContact O-CD2 3.49Å
168F89.9Confident90.3Very high6 Ų664.3 Ų64.33%0.02633%0.333CS..SBendtrans-66-37.5175.9-86.3-98.1000112A2 E3 L4 W33 T67 L70 W73 T165 R166 K170 F171 G172 V173 M175A2-F168 HydrophobicContact CB-CD1 4.24Å; A2-F168 HydrophobicContact CB-CD2 3.77Å; A2-F168 HydrophobicContact CB-CE1 4.27Å; A2-F168 HydrophobicContact CB-CE2 3.83Å; A2-F168 HydrophobicContact CB-CG 4Å; A2-F168 HydrophobicContact CB-CZ 4.07Å; E3-F168 VanDerWaalsContact O-CE2 3.3Å; E3-F168 WeakPolarHBondContact O-CE2 3.4Å; L4-F168 HydrophobicContact CB-CE2 4.38Å; L4-F168 HydrophobicContact CB-CZ 4.46Å; W33-F168 HydrophobicContact CH2-CE1 4.36Å; W33-F168 AromaticContact CH2-CZ 3.91Å; W33-F168 HydrophobicContact CH2-CZ 3.91Å; W33-F168 HydrophobicContact CZ3-CZ 4.45Å; T67-F168 HydrophobicContact CG2-CE1 4.24Å; T67-F168 HydrophobicContact CG2-CZ 3.87Å; L70-F168 HydrophobicContact CD2-CD1 4.23Å; L70-F168 HydrophobicContact CD2-CE1 3.72Å; W73-F168 HydrophobicContact CH2-CZ 4.49Å; W73-F168 HydrophobicContact CZ3-CE1 4.29Å; W73-F168 HydrophobicContact CZ3-CZ 4.48Å; T165-F168 HydrophobicContact CG2-CD2 4.23Å; T165-F168 HydrophobicContact CG2-CE2 4.21Å; R166-F168 PolarHBondContact O-N 2.86Å; F168-K170 VanDerWaalsContact C-N 3.29Å; F168-K170 PolarHBondContact O-N 3.01Å; F168-F171 PolarHBondContact O-N 3.04Å; F168-G172 PolarHBondContact O-N 3.22Å; F168-V173 CarbonylContact C-O 3.56Å; F168-V173 HydrophobicContact CB-CB 4.37Å; F168-V173 HydrophobicContact CD1-CB 4.17Å; F168-V173 HydrophobicContact CD1-CG1 4.11Å; F168-V173 PolarHBondContact O-N 2.71Å; F168-M175 HydrophobicContact CB-CG 3.91Å; F168-M175 HydrophobicContact CD1-CE 3.98Å; F168-M175 HydrophobicContact CD1-CG 4.11Å; F168-M175 HydrophobicContact CD1-SD 3.75Å; F168-M175 HydrophobicContact CE1-CE 3.91Å; F168-M175 HydrophobicContact CE1-SD 4.15Å; F168-M175 HydrophobicContact CG-CE 4.4Å; F168-M175 HydrophobicContact CG-CG 4.07Å; F168-M175 HydrophobicContact CG-SD 4.3Å; F168-M175 HydrophobicContact CZ-CE 4.26Å
169D87.8Confident89.8Confident114 Ų11467.6 Ų67.661%0.6135%0.35SS*.G310 helixtrans-53-41.9171.661.5-45.6000112.7N167 F171 G172N167-D169 VanDerWaalsContact C-N 3.32Å; N167-D169 WeakPolarHBondContact CA-OD1 3.23Å; D169-F171 PolarHBondContact O-N 2.71Å; D169-F171 VanDerWaalsContact O-N 3.13Å; D169-G172 PolarHBondContact O-N 3.28Å
170K86Confident89.3Confident150 Ų15071.9 Ų71.965%0.65237%0.372SS*.G310 helixtrans-64.6-18.2178.6-65.1-178.7-178.7163.30113.8N167 F168N167-K170 HydrophobicContact CB-CD 4.09Å; N167-K170 PolarHBondContact O-N 3.11Å; N167-K170 WeakPolarHBondContact OD1-CE 3.42Å; N167-K170 PolarHBondContact OD1-NZ 2.8Å; F168-K170 VanDerWaalsContact C-N 3.29Å; F168-K170 PolarHBondContact O-N 3.01Å
171F82.9Confident88.7Confident128 Ų12873.9 Ų73.956%0.56138%0.382SS*.G310 helixtrans-10613.6176.2-60.1-78000112.4A2 N167 F168 D169 V173A2-F171 HydrophobicContact CB-CD2 3.94Å; A2-F171 HydrophobicContact CB-CE2 4.11Å; N167-F171 HydrophobicContact CB-CE2 4.49Å; N167-F171 WeakPolarHBondContact O-CD2 3.49Å; F168-F171 PolarHBondContact O-N 3.04Å; D169-F171 PolarHBondContact O-N 2.71Å; D169-F171 VanDerWaalsContact O-N 3.13Å; F171-V173 VanDerWaalsContact C-N 3.33Å; F171-V173 PolarHBondContact O-N 3.22Å
172G79.5Confident88.1Confident72 Ų7279.2 Ų79.274%0.74241%0.409SS*.THydrogen-bonded Turntrans71.924.6176.600000114F168 D169F168-G172 PolarHBondContact O-N 3.22Å; D169-G172 PolarHBondContact O-N 3.28Å
173V80.9Confident87.3Confident33 Ų3382.1 Ų82.120%0.242%0.423CS..  trans-103.4112.5176.9-173.60000108.9L70 F168 F171 M175L70-V173 HydrophobicContact CD1-CG1 3.85Å; L70-V173 HydrophobicContact CD1-CG2 3.88Å; L70-V173 HydrophobicContact CD2-CG1 4.31Å; L70-V173 HydrophobicContact CD2-CG2 4.38Å; L70-V173 HydrophobicContact CG-CG2 4.37Å; F168-V173 CarbonylContact C-O 3.56Å; F168-V173 HydrophobicContact CB-CB 4.37Å; F168-V173 HydrophobicContact CD1-CB 4.17Å; F168-V173 HydrophobicContact CD1-CG1 4.11Å; F168-V173 PolarHBondContact O-N 2.71Å; F171-V173 VanDerWaalsContact C-N 3.33Å; F171-V173 PolarHBondContact O-N 3.22Å; V173-M175 HydrophobicContact CG1-CG 4.21Å; V173-M175 HydrophobicContact CG1-SD 3.58Å; V173-M175 VanDerWaalsContact CG1-SD 3.58Å
174E77.8Confident86.5Confident199 Ų19988.7 Ų88.793%0.9346%0.457SS*.  trans-81.2128166.9-67-176.217000108.8
175M77.4Confident85.6Confident80 Ų8090 Ų9039%0.39446%0.458SS..  trans-113.60-174.1-62.2-69.6-8200111.5W73 T101 S102 T165 F168 V173W73-M175 HydrophobicContact CH2-CE 3.55Å; W73-M175 HydrophobicContact CZ3-CE 4.08Å; T101-M175 WeakPolarHBondContact O-CE 3Å; S102-M175 WeakPolarHBondContact CA-OXT 3.22Å; S102-M175 WeakPolarHBondContact CB-OXT 3.3Å; T165-M175 HydrophobicContact CG2-CE 3.79Å; F168-M175 HydrophobicContact CB-CG 3.91Å; F168-M175 HydrophobicContact CD1-CE 3.98Å; F168-M175 HydrophobicContact CD1-CG 4.11Å; F168-M175 HydrophobicContact CD1-SD 3.75Å; F168-M175 HydrophobicContact CE1-CE 3.91Å; F168-M175 HydrophobicContact CE1-SD 4.15Å; F168-M175 HydrophobicContact CG-CE 4.4Å; F168-M175 HydrophobicContact CG-CG 4.07Å; F168-M175 HydrophobicContact CG-SD 4.3Å; F168-M175 HydrophobicContact CZ-CE 4.26Å; V173-M175 HydrophobicContact CG1-CG 4.21Å; V173-M175 HydrophobicContact CG1-SD 3.58Å; V173-M175 VanDerWaalsContact CG1-SD 3.58Å

Retrieved 175 of 175 residues in 55.5 ms (Link to these results)

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