A0A1D5RKB7_MACMU Loading...

WD repeat domain 54

Plays a role in the adhesion and fusion of the sperm-oocyte membrane through its interactions with IZUMO1 and IZUMO1R/JUNO. When cross-linked to form dimers and trimers, it has a regulatory effect on ERK signaling pathway activity in response to EGF stimulation. Colocalizes with the EGF receptor in WDR54-specific vesicle where it sustains the internalization and controls the degradation of the EGF receptor after EGF stimulation.

AlphaFold DB , UniProt , Accession A0A1D5RKB7, Species MACMU (Macaca mulatta, Rhesus macaque), Gene WDR54, Length 334 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
1M81.9Confident90.3Very high157 Ų15786.2 Ų86.277%0.77337%0.374SS*.  01330-173.7-179.3-150.400107.2S333 V334M1-S333 WeakPolarHBondContact O-CA 3.44Å; M1-V334 PolarHBondContact O-N 2.82Å
2F91.9Very high90.3Very high13 Ų1379.9 Ų79.96%0.05735%0.352CS..EExtended strand (participates in β ladder)trans-94.4150.8176.4-65.5-105.9000110.3I278 H296 G315 S316 F318 F331 S332F2-I278 HydrophobicContact CD1-CD1 4.39Å; F2-I278 HydrophobicContact CD2-CD1 3.62Å; F2-I278 HydrophobicContact CE1-CD1 4.04Å; F2-I278 HydrophobicContact CE2-CD1 3.24Å; F2-I278 HydrophobicContact CG-CD1 4.2Å; F2-I278 HydrophobicContact CZ-CD1 3.47Å; F2-I278 VanDerWaalsContact CZ-CD1 3.47Å; F2-H296 HydrophobicContact CD2-CB 4.12Å; F2-H296 AromaticContact CD2-CD2 3.63Å; F2-H296 AromaticContact CD2-CG 3.86Å; F2-G315 WeakPolarHBondContact CZ-O 3.47Å; F2-S316 VanDerWaalsContact CE1-O 3.24Å; F2-S316 WeakPolarHBondContact CE1-O 3.48Å; F2-F318 HydrophobicContact CB-CE1 3.85Å; F2-F318 AromaticContact CD1-CD1 3.58Å; F2-F318 HydrophobicContact CD1-CD1 3.58Å; F2-F318 AromaticContact CD1-CE1 3.59Å; F2-F318 HydrophobicContact CD1-CE1 3.59Å; F2-F318 HydrophobicContact CD2-CE1 4.37Å; F2-F318 AromaticContact CE1-CD1 3.81Å; F2-F318 HydrophobicContact CE1-CD1 3.81Å; F2-F318 HydrophobicContact CE1-CE1 4.21Å; F2-F318 HydrophobicContact CG-CD1 4.14Å; F2-F318 AromaticContact CG-CE1 3.68Å; F2-F318 HydrophobicContact CG-CE1 3.68Å; F2-F331 HydrophobicContact CB-CB 4.31Å; F2-S332 CarbonylContact C-O 3.52Å; F2-S332 VanDerWaalsContact CA-O 3.28Å; F2-S332 WeakPolarHBondContact CA-O 3.01Å
3R90.9Very high90.6Very high151 Ų15175.2 Ų75.257%0.5734%0.335SS*.EExtended strand (participates in β ladder)trans-132.3144.3171.9-73.2-172.5-172.7169.71.7110E5 F331 S332 V334R3-E5 PolarHBondContact O-N 2.8Å; R3-F331 CarbonylContact O-C 3.48Å; R3-F331 WeakPolarHBondContact O-CA 3.38Å; R3-S332 PolarHBondContact N-O 2.77Å; R3-S332 PolarHBondContact O-N 3.27Å; R3-V334 HydrophobicContact CB-CG2 3.92Å; R3-V334 VanDerWaalsContact CD-CG2 3.48Å; R3-V334 HydrophobicContact CG-CG2 3.5Å; R3-V334 VanDerWaalsContact CG-CG2 3.5Å
4W90.1Very high91Very high150 Ų15069.9 Ų69.957%0.56831%0.312SS*.EExtended strand (participates in β ladder)trans-58.3128.7169.9173.364.1000109.9S7 F331W4-S7 PolarHBondContact NE1-OG 3.25Å; W4-F331 VanDerWaalsContact CA-CD1 3.49Å; W4-F331 HydrophobicContact CB-CD1 3.89Å; W4-F331 HydrophobicContact CB-CE1 3.62Å; W4-F331 HydrophobicContact CB-CZ 4.31Å; W4-F331 HydrophobicContact CG-CE1 4.39Å
5E86.3Confident91.3Very high68 Ų6866.5 Ų66.532%0.31830%0.301SS..  trans-103.1-145.1174.7-61.7-171.2145.800110R3 R330 S332R3-E5 PolarHBondContact O-N 2.8Å; E5-R330 PolarHBondContact N-O 2.93Å; E5-R330 IonicContact OE2-CZ 3.78Å; E5-R330 IonicContact OE2-NE 2.84Å; E5-R330 PolarHBondContact OE2-NE 3.24Å; E5-R330 IonicContact OE2-NH2 3.9Å; E5-S332 VanDerWaalsContact CD-CB 3.42Å; E5-S332 WeakPolarHBondContact OE1-CB 3.4Å; E5-S332 PolarHBondContact OE1-OG 2.79Å; E5-S332 PolarHBondContact OE2-OG 3Å
6R85.7Confident91.6Very high148 Ų14866.1 Ų66.156%0.55831%0.314SS*.  trans-77.8134.8174179.5174.1-67.1159.41.2110.6
7S91.6Very high91.9Very high17 Ų1765.4 Ų65.412%0.11931%0.312CS..  trans-75.9146.9168.2-57.30000112.1W4 E327 I328W4-S7 PolarHBondContact NE1-OG 3.25Å; S7-E327 VanDerWaalsContact CB-CD 3.44Å; S7-E327 WeakPolarHBondContact CB-OE2 3.13Å; S7-E327 VanDerWaalsContact OG-CD 3.24Å; S7-E327 PolarHBondContact OG-OE1 3.3Å; S7-E327 PolarHBondContact OG-OE2 3.02Å; S7-E327 VanDerWaalsContact OG-OE2 3.08Å; S7-I328 CarbonylContact C-O 3.56Å; S7-I328 VanDerWaalsContact CA-O 3.28Å; S7-I328 WeakPolarHBondContact CA-O 3.5Å
8I94.5Very high92.2Very high0 Ų064.9 Ų64.90%032%0.315CS..EExtended strand (participates in β ladder)trans-99.7114.2173.5-57167.1000107.4F34 L45 A47 P53 E327 I328I8-F34 HydrophobicContact CD1-CD2 3.88Å; I8-F34 HydrophobicContact CD1-CE2 3.49Å; I8-F34 VanDerWaalsContact CD1-CE2 3.49Å; I8-F34 HydrophobicContact CD1-CZ 3.86Å; I8-L45 HydrophobicContact CG2-CD2 3.91Å; I8-A47 HydrophobicContact CD1-CB 3.79Å; I8-A47 HydrophobicContact CG1-CB 4.45Å; I8-P53 HydrophobicContact CG2-CB 4.26Å; I8-P53 HydrophobicContact CG2-CG 4.08Å; I8-E327 CarbonylContact O-C 3.54Å; I8-E327 VanDerWaalsContact O-CA 3.3Å; I8-E327 WeakPolarHBondContact O-CA 3.41Å; I8-I328 HydrophobicContact CB-CB 4.2Å; I8-I328 PolarHBondContact N-O 2.81Å; I8-I328 PolarHBondContact O-N 3.31Å
9P94.9Very high92.5Very high75 Ų7561.7 Ų61.749%0.48730%0.3SS..EExtended strand (participates in β ladder)trans-66.9138.2-175.927.4-33.9000111.8L45 P53P9-L45 WeakPolarHBondContact O-CD2 3.2Å; P9-P53 HydrophobicContact CG-CG 4.35Å
10L94.6Very high92.8Very high15 Ų1558.9 Ų58.98%0.07929%0.287CS..  trans-101.5155.3170.4-60.6174.1000109.5G12 V36 L45 A326 I328L10-G12 WeakPolarHBondContact CB-O 3.37Å; L10-G12 PolarHBondContact O-N 3.33Å; L10-V36 HydrophobicContact CD1-CG1 4.26Å; L10-V36 HydrophobicContact CD2-CG2 4.33Å; L10-L45 HydrophobicContact CD2-CD1 3.54Å; L10-L45 HydrophobicContact CD2-CD2 3.85Å; L10-L45 HydrophobicContact CD2-CG 4.37Å; L10-A326 WeakPolarHBondContact CA-O 3.24Å; L10-A326 WeakPolarHBondContact CB-O 3.26Å; L10-A326 PolarHBondContact N-O 2.94Å; L10-I328 HydrophobicContact CD1-CG1 4.21Å; L10-I328 HydrophobicContact CD2-CD1 3.98Å; L10-I328 HydrophobicContact CD2-CG1 3.94Å; L10-I328 HydrophobicContact CG-CG1 4.19Å
11R90.8Very high93.1Very high154 Ų15456.2 Ų56.258%0.58127%0.273SS*.SBendtrans-76.6-6.1172.6-84.3170.5-169.4-152.71.2113.1Q56R11-Q56 VanDerWaalsContact CG-NE2 3.33Å; R11-Q56 VanDerWaalsContact N-NE2 3.11Å; R11-Q56 VanDerWaalsContact NE-OE1 3.16Å
12G90.6Very high93.8Very high11 Ų1148.7 Ų48.711%0.11324%0.237CC..SBendtrans-176161.2-17800000109.9L10 Q43L10-G12 WeakPolarHBondContact CB-O 3.37Å; L10-G12 PolarHBondContact O-N 3.33Å; G12-Q43 PolarHBondContact O-NE2 3.28Å
13S93.9Very high94.1Very high19 Ų1949.5 Ų49.513%0.13324%0.243CC..PPolyproline II helixtrans-68.3151-176.5170.60000113.5A15 H38 G322 D324 L325S13-A15 PolarHBondContact O-N 3.37Å; S13-H38 PolarHBondContact N-ND1 3.02Å; S13-H38 PolarHBondContact O-ND1 3.49Å; S13-G322 PolarHBondContact OG-O 3.15Å; S13-D324 WeakPolarHBondContact OG-CA 3.45Å; S13-D324 PolarHBondContact OG-N 2.9Å; S13-L325 WeakPolarHBondContact CA-O 3.36Å; S13-L325 PolarHBondContact OG-N 3.12Å
14A96Very high94.3Very high1 Ų142.7 Ų42.71%0.00822%0.217CC..PPolyproline II helixtrans-59.1137.4169.900000111.2V36 C306 Y323A14-V36 HydrophobicContact CB-CG1 3.66Å; A14-C306 HydrophobicContact CB-CB 4.47Å; A14-Y323 WeakPolarHBondContact O-CD2 3.39Å
15A96.4Very high94.4Very high18 Ų1839 Ų3915%0.14921%0.206CC..PPolyproline II helixtrans-62.7146.6169.200000110.5S13 L17 N20 V37S13-A15 PolarHBondContact O-N 3.37Å; A15-L17 HydrophobicContact CB-CD1 3.87Å; A15-L17 HydrophobicContact CB-CG 4.01Å; A15-L17 PolarHBondContact O-N 3.14Å; A15-N20 PolarHBondContact N-ND2 3.28Å; A15-N20 PolarHBondContact O-ND2 3.07Å; A15-V37 HydrophobicContact CB-CG1 4.24Å; A15-V37 PolarHBondContact N-O 3.12Å
16A95.6Very high94.5Very high61 Ų6137.6 Ų37.650%0.50420%0.201SC..SBendtrans-71.766.4175.700000111.5Y323A16-Y323 HydrophobicContact CB-CD2 3.7Å; A16-Y323 HydrophobicContact CB-CE2 4.17Å; A16-Y323 HydrophobicContact CB-CG 4.13Å
17L96.5Very high94.4Very high54 Ų5435.6 Ų35.628%0.28321%0.207SC..  trans-120.3143.2178.1-63169.8000107.7A15 N20 V37 C306A15-L17 HydrophobicContact CB-CD1 3.87Å; A15-L17 HydrophobicContact CB-CG 4.01Å; A15-L17 PolarHBondContact O-N 3.14Å; L17-N20 HydrophobicContact CB-CB 4.15Å; L17-N20 VanDerWaalsContact O-CB 3.3Å; L17-N20 WeakPolarHBondContact O-CB 3.25Å; L17-V37 HydrophobicContact CD1-CB 4.11Å; L17-V37 HydrophobicContact CD1-CG1 3.83Å; L17-C306 CarbonylContact O-C 3.59Å; L17-C306 WeakPolarHBondContact O-CB 3.27Å
18C97.4Very high94.2Very high56 Ų5640 Ų4038%0.37824%0.244SC..THydrogen-bonded Turntrans-68153.5170.5-65.80000110.3N20 P216 C256 C306C18-N20 PolarHBondContact O-N 3.04Å; C18-N20 VanDerWaalsContact O-N 3.14Å; C18-P216 HydrophobicContact CB-CB 4.11Å; C18-C256 CarbonylContact C-O 3.56Å; C18-C256 VanDerWaalsContact CA-O 3.3Å; C18-C256 WeakPolarHBondContact CA-O 3.34Å; C18-C256 VanDerWaalsContact CB-O 3.28Å; C18-C256 WeakPolarHBondContact CB-O 3.46Å; C18-C306 CarbonylContact C-O 3.56Å
19N98.3Very high93.7Very high5 Ų548.2 Ų48.23%0.02728%0.275CS..THydrogen-bonded Turntrans54.129.1-178.4-57.4-49.3000113.9L21 D169 P216 S217 C256 A257 C306N19-L21 PolarHBondContact O-N 2.95Å; N19-D169 PolarHBondContact ND2-OD2 2.92Å; N19-P216 PolarHBondContact ND2-O 3.07Å; N19-S217 WeakPolarHBondContact OD1-CB 3.22Å; N19-S217 PolarHBondContact OD1-OG 2.82Å; N19-C256 PolarHBondContact N-O 3.38Å; N19-A257 WeakPolarHBondContact OD1-CA 3.47Å; N19-C306 PolarHBondContact N-O 2.91Å
20N98.2Very high93.4Very high5 Ų549.6 Ų49.63%0.02728%0.279CS..  trans-8254.8-177-168.112000113A15 L17 C18 V37 C306 T321A15-N20 PolarHBondContact N-ND2 3.28Å; A15-N20 PolarHBondContact O-ND2 3.07Å; L17-N20 HydrophobicContact CB-CB 4.15Å; L17-N20 VanDerWaalsContact O-CB 3.3Å; L17-N20 WeakPolarHBondContact O-CB 3.25Å; C18-N20 PolarHBondContact O-N 3.04Å; C18-N20 VanDerWaalsContact O-N 3.14Å; N20-V37 PolarHBondContact ND2-O 3.12Å; N20-V37 WeakPolarHBondContact OD1-CB 3.36Å; N20-V37 PolarHBondContact OD1-N 2.9Å; N20-C306 HydrophobicContact CB-CB 4.04Å; N20-C306 PolarHBondContact N-O 3.12Å; N20-T321 PolarHBondContact O-OG1 2.94Å
21L98.4Very high93.2Very high2 Ų250.7 Ų50.71%0.0128%0.284CS..  trans-158.8123.7168.2-179.157.4000107.7N19 V23 F34 V36 R309 A319 T321N19-L21 PolarHBondContact O-N 2.95Å; L21-V23 HydrophobicContact CG-CG2 4.3Å; L21-F34 HydrophobicContact CD1-CD1 4.22Å; L21-V36 HydrophobicContact CD1-CG2 3.98Å; L21-R309 HydrophobicContact CB-CG 4.13Å; L21-R309 HydrophobicContact CD2-CB 4.08Å; L21-R309 HydrophobicContact CD2-CG 4.24Å; L21-R309 HydrophobicContact CG-CB 4.2Å; L21-R309 HydrophobicContact CG-CG 3.93Å; L21-R309 WeakPolarHBondContact O-CG 3.33Å; L21-R309 PolarHBondContact O-NE 3.11Å; L21-A319 HydrophobicContact CD2-CB 3.96Å; L21-A319 WeakPolarHBondContact CD2-O 2.98Å; L21-T321 HydrophobicContact CB-CG2 4.33Å; L21-T321 HydrophobicContact CD1-CG2 3.93Å; L21-T321 HydrophobicContact CD2-CG2 4.41Å; L21-T321 HydrophobicContact CG-CG2 4.46Å
22S98Very high93.4Very high0 Ų043.8 Ų43.80%026%0.26CS..EExtended strand (participates in β ladder)trans-116.3141.2167.9-174.70000109.6F34 G35 V75 H76 W77S22-F34 CarbonylContact O-C 3.46Å; S22-F34 WeakPolarHBondContact O-CA 3.44Å; S22-G35 PolarHBondContact N-O 2.86Å; S22-G35 PolarHBondContact O-N 3.18Å; S22-V75 VanDerWaalsContact CB-O 3.27Å; S22-V75 WeakPolarHBondContact CB-O 3.21Å; S22-H76 WeakPolarHBondContact OG-CA 3.25Å; S22-H76 PolarHBondContact OG-ND1 3.5Å; S22-W77 PolarHBondContact OG-N 2.84Å
23V97.1Very high93.7Very high30 Ų3045.3 Ų45.318%0.18226%0.262CS..EExtended strand (participates in β ladder)trans-126.8133.2-179.2177.30000108.4L21 T32 Y33 F34 R309L21-V23 HydrophobicContact CG-CG2 4.3Å; V23-T32 HydrophobicContact CG1-CG2 3.58Å; V23-Y33 WeakPolarHBondContact CA-O 3.38Å; V23-F34 HydrophobicContact CG2-CD1 3.87Å; V23-F34 HydrophobicContact CG2-CE1 3.96Å; V23-R309 HydrophobicContact CB-CB 4.33Å; V23-R309 HydrophobicContact CG2-CB 3.59Å; V23-R309 HydrophobicContact CG2-CG 4.16Å
24L95.9Very high93.9Very high8 Ų844.4 Ų44.44%0.04226%0.256CS..EExtended strand (participates in β ladder)trans-128.1115170.3170.469000109.2L26 Y33 W77 V79 V84L24-L26 HydrophobicContact CD2-CD2 4.25Å; L24-L26 HydrophobicContact CG-CD2 4.27Å; L24-L26 HydrophobicContact CG-CG 4.41Å; L24-Y33 HydrophobicContact CD2-CD2 4.13Å; L24-Y33 PolarHBondContact N-O 3.23Å; L24-Y33 PolarHBondContact O-N 3.16Å; L24-W77 HydrophobicContact CB-CB 3.93Å; L24-W77 HydrophobicContact CB-CD2 3.71Å; L24-W77 HydrophobicContact CB-CE3 3.87Å; L24-W77 HydrophobicContact CB-CG 3.74Å; L24-W77 HydrophobicContact CD1-CB 4.42Å; L24-W77 HydrophobicContact CD2-CB 4.18Å; L24-W77 VanDerWaalsContact CD2-CD1 3.49Å; L24-W77 HydrophobicContact CD2-CD2 4.14Å; L24-W77 HydrophobicContact CD2-CG 3.68Å; L24-W77 HydrophobicContact CG-CB 4.41Å; L24-W77 HydrophobicContact CG-CG 4.24Å; L24-V79 HydrophobicContact CD1-CG2 3.56Å; L24-V84 HydrophobicContact CD1-CG1 4.08Å; L24-V84 HydrophobicContact CD2-CG1 3.78Å
25Q92.6Very high94Very high72 Ų7244.4 Ų44.434%0.33626%0.256SS..EExtended strand (participates in β ladder)trans-81138.6170.2-66.5-159.4-49.700111.4C311 D312Q25-C311 WeakPolarHBondContact CG-O 3.23Å; Q25-C311 PolarHBondContact NE2-O 3.11Å; Q25-D312 VanDerWaalsContact CD-CA 3.45Å
26L88.4Confident94Very high39 Ų3943.5 Ų43.520%0.20425%0.248CC..EExtended strand (participates in β ladder)trans-123.581.8170-65.4-178.8000109.6L24 A28 R29 N30 L31 Y33L24-L26 HydrophobicContact CD2-CD2 4.25Å; L24-L26 HydrophobicContact CG-CD2 4.27Å; L24-L26 HydrophobicContact CG-CG 4.41Å; L26-A28 VanDerWaalsContact C-N 3.25Å; L26-A28 PolarHBondContact O-N 2.82Å; L26-R29 HydrophobicContact CB-CB 4.34Å; L26-R29 PolarHBondContact O-N 3.12Å; L26-N30 PolarHBondContact O-N 2.93Å; L26-N30 VanDerWaalsContact O-N 3.08Å; L26-L31 PolarHBondContact N-O 3.37Å; L26-L31 PolarHBondContact O-N 2.91Å; L26-Y33 HydrophobicContact CD1-CD2 3.64Å; L26-Y33 HydrophobicContact CD1-CE2 3.3Å; L26-Y33 HydrophobicContact CG-CD2 4.27Å; L26-Y33 HydrophobicContact CG-CE2 4.38Å
27P83.6Confident94.1Very high106 Ų10640.6 Ų40.669%0.68822%0.224SC*.G310 helixtrans-55.5-40-176.2-26.334.5000112.9R29 N30P27-R29 PolarHBondContact O-N 3.41Å; P27-R29 VanDerWaalsContact O-N 3.11Å; P27-N30 PolarHBondContact O-N 3.45Å
28A86Confident94Very high109 Ų10941 Ų4190%0.90123%0.225SC*.G310 helixtrans-61.8-21.3178.900000114.2L26L26-A28 VanDerWaalsContact C-N 3.25Å; L26-A28 PolarHBondContact O-N 2.82Å
29R84.9Confident93.5Very high172 Ų17239.7 Ų39.765%0.64922%0.221SC*.G310 helixtrans-107.6-4.7177-63.7-172.7-179.8-174.2-0.7112.8L26 P27 L31L26-R29 HydrophobicContact CB-CB 4.34Å; L26-R29 PolarHBondContact O-N 3.12Å; P27-R29 PolarHBondContact O-N 3.41Å; P27-R29 VanDerWaalsContact O-N 3.11Å; R29-L31 VanDerWaalsContact C-N 3.29Å; R29-L31 HydrophobicContact CB-CB 4.36Å; R29-L31 HydrophobicContact CB-CD1 4.1Å; R29-L31 HydrophobicContact CB-CG 4.12Å; R29-L31 WeakPolarHBondContact O-CG 3.46Å; R29-L31 PolarHBondContact O-N 2.83Å
30N87.8Confident93.1Very high104 Ų10442 Ų4256%0.55624%0.236SC*.THydrogen-bonded Turntrans54.644.7-171.8-156.933.2000112.3L26 P27 P49L26-N30 PolarHBondContact O-N 2.93Å; L26-N30 VanDerWaalsContact O-N 3.08Å; P27-N30 PolarHBondContact O-N 3.45Å; N30-P49 HydrophobicContact CB-CG 4.48Å; N30-P49 WeakPolarHBondContact ND2-CG 3.31Å; N30-P49 WeakPolarHBondContact O-CD 3.06Å; N30-P49 WeakPolarHBondContact OD1-CG 3.3Å
31L91.6Very high92.9Very high38 Ų3842 Ų4220%0.19924%0.236CC..EExtended strand (participates in β ladder)trans-133.1149.2-176.1-67.3179.4000111.6L26 R29 L54L26-L31 PolarHBondContact N-O 3.37Å; L26-L31 PolarHBondContact O-N 2.91Å; R29-L31 VanDerWaalsContact C-N 3.29Å; R29-L31 HydrophobicContact CB-CB 4.36Å; R29-L31 HydrophobicContact CB-CD1 4.1Å; R29-L31 HydrophobicContact CB-CG 4.12Å; R29-L31 WeakPolarHBondContact O-CG 3.46Å; R29-L31 PolarHBondContact O-N 2.83Å; L31-L54 HydrophobicContact CD2-CD1 3.13Å
32T94.3Very high92.8Very high10 Ų1041.9 Ų41.96%0.06124%0.236CC..EExtended strand (participates in β ladder)trans-118.4129.1168.7-53.90000109.4V23 F34 S46 A47V23-T32 HydrophobicContact CG1-CG2 3.58Å; T32-F34 HydrophobicContact CG2-CD2 4.39Å; T32-F34 HydrophobicContact CG2-CE1 4.11Å; T32-F34 HydrophobicContact CG2-CE2 3.69Å; T32-F34 HydrophobicContact CG2-CZ 3.53Å; T32-S46 CarbonylContact O-C 3.53Å; T32-S46 WeakPolarHBondContact O-CA 3.25Å; T32-A47 PolarHBondContact N-O 3.42Å; T32-A47 PolarHBondContact O-N 3.38Å
33Y96.4Very high92.7Very high43 Ų4341.9 Ų41.917%0.16924%0.236CC..EExtended strand (participates in β ladder)trans-94.2142.2170.4-76.6-58.5000110.7V23 L24 L26 L45 S46 W77V23-Y33 WeakPolarHBondContact CA-O 3.38Å; L24-Y33 HydrophobicContact CD2-CD2 4.13Å; L24-Y33 PolarHBondContact N-O 3.23Å; L24-Y33 PolarHBondContact O-N 3.16Å; L26-Y33 HydrophobicContact CD1-CD2 3.64Å; L26-Y33 HydrophobicContact CD1-CE2 3.3Å; L26-Y33 HydrophobicContact CG-CD2 4.27Å; L26-Y33 HydrophobicContact CG-CE2 4.38Å; Y33-L45 CarbonylContact C-O 3.59Å; Y33-L45 VanDerWaalsContact CA-O 3.23Å; Y33-L45 WeakPolarHBondContact CA-O 3.46Å; Y33-L45 WeakPolarHBondContact CD1-O 3.44Å; Y33-S46 VanDerWaalsContact CE1-CB 3.45Å; Y33-W77 HydrophobicContact CG-CZ2 4.42Å
34F97.6Very high92.7Very high0 Ų040.8 Ų40.80%023%0.229CC..EExtended strand (participates in β ladder)trans-125.5137.4176.6-60.1-88.8000110.1I8 L21 S22 V23 T32 L44 L45 A47 W77 A319 I328I8-F34 HydrophobicContact CD1-CD2 3.88Å; I8-F34 HydrophobicContact CD1-CE2 3.49Å; I8-F34 VanDerWaalsContact CD1-CE2 3.49Å; I8-F34 HydrophobicContact CD1-CZ 3.86Å; L21-F34 HydrophobicContact CD1-CD1 4.22Å; S22-F34 CarbonylContact O-C 3.46Å; S22-F34 WeakPolarHBondContact O-CA 3.44Å; V23-F34 HydrophobicContact CG2-CD1 3.87Å; V23-F34 HydrophobicContact CG2-CE1 3.96Å; T32-F34 HydrophobicContact CG2-CD2 4.39Å; T32-F34 HydrophobicContact CG2-CE1 4.11Å; T32-F34 HydrophobicContact CG2-CE2 3.69Å; T32-F34 HydrophobicContact CG2-CZ 3.53Å; F34-L44 CarbonylContact O-C 3.5Å; F34-L44 WeakPolarHBondContact O-CA 3.47Å; F34-L45 HydrophobicContact CB-CB 4.4Å; F34-L45 HydrophobicContact CB-CD1 4.42Å; F34-L45 PolarHBondContact N-O 3.22Å; F34-L45 PolarHBondContact O-N 3.05Å; F34-A47 HydrophobicContact CE2-CB 3.94Å; F34-W77 VanDerWaalsContact C-CH2 3.42Å; F34-W77 WeakPolarHBondContact O-CH2 3.33Å; F34-A319 HydrophobicContact CE1-CB 4.04Å; F34-I328 HydrophobicContact CB-CD1 3.59Å; F34-I328 HydrophobicContact CD1-CD1 4.16Å; F34-I328 HydrophobicContact CG-CD1 3.9Å
35G97.9Very high92.7Very high0 Ų040.7 Ų40.70%023%0.228CC..EExtended strand (participates in β ladder)trans-127.1123.9-178.400000109.2S22 Q43 W77S22-G35 PolarHBondContact N-O 2.86Å; S22-G35 PolarHBondContact O-N 3.18Å; G35-Q43 WeakPolarHBondContact CA-O 3.36Å; G35-W77 VanDerWaalsContact N-CZ3 3.27Å
36V98.2Very high92.7Very high0 Ų037.6 Ų37.60%022%0.215CC..EExtended strand (participates in β ladder)trans-137.7128.9-176.7-1750000109.3L10 A14 L21 A42 Q43 T321 I328L10-V36 HydrophobicContact CD1-CG1 4.26Å; L10-V36 HydrophobicContact CD2-CG2 4.33Å; A14-V36 HydrophobicContact CB-CG1 3.66Å; L21-V36 HydrophobicContact CD1-CG2 3.98Å; V36-A42 CarbonylContact O-C 3.57Å; V36-A42 WeakPolarHBondContact O-CA 3.48Å; V36-Q43 PolarHBondContact N-O 3.19Å; V36-Q43 PolarHBondContact O-N 3.28Å; V36-T321 HydrophobicContact CG1-CG2 4.12Å; V36-T321 HydrophobicContact CG2-CG2 3.77Å; V36-I328 HydrophobicContact CG2-CD1 3.99Å; V36-I328 HydrophobicContact CG2-CG1 4.18Å
37V97.9Very high93Very high0 Ų035.8 Ų35.80%021%0.205CC..EExtended strand (participates in β ladder)trans-78131172.7-176.90000109.7A15 L17 N20 I72 V75A15-V37 HydrophobicContact CB-CG1 4.24Å; A15-V37 PolarHBondContact N-O 3.12Å; L17-V37 HydrophobicContact CD1-CB 4.11Å; L17-V37 HydrophobicContact CD1-CG1 3.83Å; N20-V37 PolarHBondContact ND2-O 3.12Å; N20-V37 WeakPolarHBondContact OD1-CB 3.36Å; N20-V37 PolarHBondContact OD1-N 2.9Å; V37-I72 HydrophobicContact CB-CG2 4.4Å; V37-I72 HydrophobicContact CG1-CB 3.82Å; V37-I72 HydrophobicContact CG1-CG2 3.78Å; V37-I72 WeakPolarHBondContact CG1-O 3.47Å; V37-I72 HydrophobicContact CG2-CG2 3.72Å; V37-V75 HydrophobicContact CG2-CB 4.35Å; V37-V75 HydrophobicContact CG2-CG1 3.96Å
38H94.1Very high93.3Very high62 Ų6231.4 Ų31.429%0.28718%0.178SC..EExtended strand (participates in β ladder)trans-133.496.6175.2170.764.7000109.4S13 S41 Q43S13-H38 PolarHBondContact N-ND1 3.02Å; S13-H38 PolarHBondContact O-ND1 3.49Å; H38-S41 CarbonylContact C-O 3.58Å; H38-S41 WeakPolarHBondContact CA-O 3.24Å; H38-S41 PolarHBondContact N-O 3.05Å; H38-S41 PolarHBondContact O-N 2.91Å; H38-S41 PolarHBondContact O-OG 2.77Å; H38-Q43 HydrophobicContact CB-CG 4.28Å
39G86.8Confident93.1Very high29 Ų2928.2 Ų28.230%0.29915%0.148SC..THydrogen-bonded Turntrans55.8-122.7-178.500000112.3S41G39-S41 PolarHBondContact O-N 3.04Å
40P89.7Confident92.9Very high53 Ų5325.7 Ų25.734%0.34414%0.144SC..THydrogen-bonded Turntrans-81.77.5179.435.4-36.4000113.9P69 I72P40-P69 HydrophobicContact CB-CB 4.06Å; P40-P69 HydrophobicContact CB-CG 4.13Å; P40-I72 WeakPolarHBondContact O-CD1 3.14Å
41S93.6Very high92.6Very high5 Ų520.7 Ų20.74%0.03512%0.117CC..EExtended strand (participates in β ladder)trans-131.1153.9-176.373.10000111.7H38 G39 L59H38-S41 CarbonylContact C-O 3.58Å; H38-S41 WeakPolarHBondContact CA-O 3.24Å; H38-S41 PolarHBondContact N-O 3.05Å; H38-S41 PolarHBondContact O-N 2.91Å; H38-S41 PolarHBondContact O-OG 2.77Å; G39-S41 PolarHBondContact O-N 3.04Å; S41-L59 CarbonylContact C-O 3.58Å; S41-L59 WeakPolarHBondContact CA-O 3.23Å
42A95.7Very high92.5Very high0 Ų021.4 Ų21.40%012%0.123CC..EExtended strand (participates in β ladder)trans-108.3130.6167.500000109.3V36 Q58 L59 I72 V75 L88V36-A42 CarbonylContact O-C 3.57Å; V36-A42 WeakPolarHBondContact O-CA 3.48Å; A42-Q58 CarbonylContact O-C 3.55Å; A42-Q58 WeakPolarHBondContact O-CA 3.49Å; A42-L59 HydrophobicContact CB-CB 4.38Å; A42-L59 PolarHBondContact N-O 2.88Å; A42-L59 PolarHBondContact O-N 2.79Å; A42-I72 HydrophobicContact CB-CD1 4.28Å; A42-V75 HydrophobicContact CB-CB 4.19Å; A42-V75 HydrophobicContact CB-CG1 4.23Å; A42-V75 HydrophobicContact CB-CG2 4.32Å; A42-L88 HydrophobicContact CB-CD1 4.46Å
43Q96.4Very high92.2Very high0 Ų023.7 Ų23.70%014%0.138CC..EExtended strand (participates in β ladder)trans-91.2124.4173-60.6-174.658.800108.9G12 G35 V36 H38 L45 Q56 R57 Q58G12-Q43 PolarHBondContact O-NE2 3.28Å; G35-Q43 WeakPolarHBondContact CA-O 3.36Å; V36-Q43 PolarHBondContact N-O 3.19Å; V36-Q43 PolarHBondContact O-N 3.28Å; H38-Q43 HydrophobicContact CB-CG 4.28Å; Q43-L45 HydrophobicContact CB-CD1 4.08Å; Q43-Q56 VanDerWaalsContact OE1-NE2 3.1Å; Q43-R57 WeakPolarHBondContact CA-O 3.39Å; Q43-Q58 HydrophobicContact CG-CG 4.4Å
44L96.9Very high92Very high7 Ų726.5 Ų26.54%0.03716%0.155CC..EExtended strand (participates in β ladder)trans-112.6127.6173.2-45.2169.8000108.4F34 Q56 R57 L59 V75 W77 L86F34-L44 CarbonylContact O-C 3.5Å; F34-L44 WeakPolarHBondContact O-CA 3.47Å; L44-Q56 CarbonylContact O-C 3.58Å; L44-Q56 WeakPolarHBondContact O-CA 3.11Å; L44-R57 HydrophobicContact CB-CG 3.63Å; L44-R57 HydrophobicContact CD1-CG 4.1Å; L44-R57 HydrophobicContact CG-CG 4.21Å; L44-R57 PolarHBondContact N-O 3.46Å; L44-R57 WeakPolarHBondContact O-CG 3.37Å; L44-R57 PolarHBondContact O-N 3.19Å; L44-L59 HydrophobicContact CD1-CB 4.17Å; L44-L59 HydrophobicContact CD1-CD2 4.16Å; L44-L59 HydrophobicContact CG-CB 4.49Å; L44-V75 HydrophobicContact CD2-CG2 4.08Å; L44-W77 HydrophobicContact CD2-CH2 3.87Å; L44-W77 HydrophobicContact CD2-CZ2 3.96Å; L44-L86 HydrophobicContact CD1-CD2 3.45Å; L44-L86 VanDerWaalsContact CD1-CD2 3.45Å; L44-L86 HydrophobicContact CD2-CD1 4.35Å; L44-L86 HydrophobicContact CD2-CD2 3.82Å; L44-L86 HydrophobicContact CG-CD2 4.29Å
45L95.6Very high91.7Very high5 Ų529.3 Ų29.33%0.02618%0.179CC..EExtended strand (participates in β ladder)trans-129.2145.6-175.1-52.796.4000109.8I8 P9 L10 Y33 F34 Q43 A55 Q56 I328I8-L45 HydrophobicContact CG2-CD2 3.91Å; P9-L45 WeakPolarHBondContact O-CD2 3.2Å; L10-L45 HydrophobicContact CD2-CD1 3.54Å; L10-L45 HydrophobicContact CD2-CD2 3.85Å; L10-L45 HydrophobicContact CD2-CG 4.37Å; Y33-L45 CarbonylContact C-O 3.59Å; Y33-L45 VanDerWaalsContact CA-O 3.23Å; Y33-L45 WeakPolarHBondContact CA-O 3.46Å; Y33-L45 WeakPolarHBondContact CD1-O 3.44Å; F34-L45 HydrophobicContact CB-CB 4.4Å; F34-L45 HydrophobicContact CB-CD1 4.42Å; F34-L45 PolarHBondContact N-O 3.22Å; F34-L45 PolarHBondContact O-N 3.05Å; Q43-L45 HydrophobicContact CB-CD1 4.08Å; L45-A55 CarbonylContact C-O 3.59Å; L45-A55 VanDerWaalsContact CA-O 3.29Å; L45-A55 WeakPolarHBondContact CA-O 3.46Å; L45-Q56 HydrophobicContact CD2-CB 4.4Å; L45-Q56 HydrophobicContact CD2-CG 3.96Å; L45-Q56 HydrophobicContact CG-CG 4.05Å; L45-I328 HydrophobicContact CD1-CD1 4.17Å
46S93.9Very high91.4Very high8 Ų832.3 Ų32.36%0.05619%0.193CC..EExtended strand (participates in β ladder)trans-111.8142.8161.848.40000111T32 Y33 L54 A55T32-S46 CarbonylContact O-C 3.53Å; T32-S46 WeakPolarHBondContact O-CA 3.25Å; Y33-S46 VanDerWaalsContact CE1-CB 3.45Å; S46-L54 PolarHBondContact O-N 2.95Å; S46-A55 PolarHBondContact N-O 2.83Å; S46-A55 WeakPolarHBondContact OG-CB 3.3Å; S46-A55 PolarHBondContact OG-N 2.87Å
47A92.9Very high91.1Very high0 Ų034.9 Ų34.90%020%0.202CC..EExtended strand (participates in β ladder)trans-130.1153168.800000111.8I8 T32 F34 V52I8-A47 HydrophobicContact CD1-CB 3.79Å; I8-A47 HydrophobicContact CG1-CB 4.45Å; T32-A47 PolarHBondContact N-O 3.42Å; T32-A47 PolarHBondContact O-N 3.38Å; F34-A47 HydrophobicContact CE2-CB 3.94Å; A47-V52 CarbonylContact C-O 3.52Å; A47-V52 WeakPolarHBondContact CA-O 3.34Å; A47-V52 WeakPolarHBondContact CB-O 3.42Å
48A89.8Confident90.9Very high15 Ų1538.4 Ų38.412%0.12422%0.219CC..  trans-66167.1166.100000110.7E50 G51 V52 L54A48-E50 WeakPolarHBondContact CB-OE2 3.36Å; A48-E50 PolarHBondContact O-N 3.24Å; A48-G51 PolarHBondContact O-N 2.85Å; A48-V52 HydrophobicContact CB-CB 4.01Å; A48-V52 PolarHBondContact N-O 2.92Å; A48-L54 HydrophobicContact CB-CD1 4.18Å
49P82.6Confident90.9Very high41 Ų4135.9 Ų35.927%0.26621%0.207SC..THydrogen-bonded Turntrans-59.5-21.7-178.6-22.734.6000114N30 G51 R330N30-P49 HydrophobicContact CB-CG 4.48Å; N30-P49 WeakPolarHBondContact ND2-CG 3.31Å; N30-P49 WeakPolarHBondContact O-CD 3.06Å; N30-P49 WeakPolarHBondContact OD1-CG 3.3Å; P49-G51 VanDerWaalsContact C-N 3.3Å; P49-R330 PolarHBondContact O-NH1 3.1Å; P49-R330 PolarHBondContact O-NH2 2.92Å
50E81.6Confident91.1Very high119 Ų11939.1 Ų39.156%0.55621%0.214SC*.THydrogen-bonded Turntrans-90.98.7176.6-4876.8-168.800112.6A48 V52A48-E50 WeakPolarHBondContact CB-OE2 3.36Å; A48-E50 PolarHBondContact O-N 3.24Å; E50-V52 VanDerWaalsContact C-N 3.35Å; E50-V52 HydrophobicContact CB-CG2 4.47Å
51G81.6Confident91Very high0 Ų037.1 Ų37.10%020%0.202CC..  trans79.314.7-179.700000114A48 P49 P53 R330A48-G51 PolarHBondContact O-N 2.85Å; P49-G51 VanDerWaalsContact C-N 3.3Å; G51-P53 VanDerWaalsContact O-CD 3.3Å; G51-P53 WeakPolarHBondContact O-CD 3.22Å; G51-R330 VanDerWaalsContact N-NH1 3.13Å
52V87.9Confident90.5Very high52 Ų5242.2 Ų42.232%0.31522%0.224SC..  trans-70.4117.6174.3-177.10000109.3A47 A48 E50A47-V52 CarbonylContact C-O 3.52Å; A47-V52 WeakPolarHBondContact CA-O 3.34Å; A47-V52 WeakPolarHBondContact CB-O 3.42Å; A48-V52 HydrophobicContact CB-CB 4.01Å; A48-V52 PolarHBondContact N-O 2.92Å; E50-V52 VanDerWaalsContact C-N 3.35Å; E50-V52 HydrophobicContact CB-CG2 4.47Å
53P89.5Confident89.6Confident58 Ų5845.2 Ų45.238%0.37724%0.238SC..EExtended strand (participates in β ladder)trans-65.7136.8177.8-14.427.9000110.9I8 P9 G51I8-P53 HydrophobicContact CG2-CB 4.26Å; I8-P53 HydrophobicContact CG2-CG 4.08Å; P9-P53 HydrophobicContact CG-CG 4.35Å; G51-P53 VanDerWaalsContact O-CD 3.3Å; G51-P53 WeakPolarHBondContact O-CD 3.22Å
54L90.9Very high88.1Confident103 Ų10347.8 Ų47.854%0.53926%0.264SS..EExtended strand (participates in β ladder)trans-120-42.2-176-67.8170.6000113L31 S46 A48L31-L54 HydrophobicContact CD2-CD1 3.13Å; S46-L54 PolarHBondContact O-N 2.95Å; A48-L54 HydrophobicContact CB-CD1 4.18Å
55A91.1Very high86.5Confident59 Ų5952.7 Ų52.749%0.48831%0.306SS..EExtended strand (participates in β ladder)trans-146.3149.9176.500000109.7L45 S46L45-A55 CarbonylContact C-O 3.59Å; L45-A55 VanDerWaalsContact CA-O 3.29Å; L45-A55 WeakPolarHBondContact CA-O 3.46Å; S46-A55 PolarHBondContact N-O 2.83Å; S46-A55 WeakPolarHBondContact OG-CB 3.3Å; S46-A55 PolarHBondContact OG-N 2.87Å
56Q92.7Very high85Confident63 Ų6356.7 Ų56.729%0.29435%0.349SS..EExtended strand (participates in β ladder)trans-140.5139.6175.7-177.7-178.928.600109.2R11 Q43 L44 L45R11-Q56 VanDerWaalsContact CG-NE2 3.33Å; R11-Q56 VanDerWaalsContact N-NE2 3.11Å; R11-Q56 VanDerWaalsContact NE-OE1 3.16Å; Q43-Q56 VanDerWaalsContact OE1-NE2 3.1Å; L44-Q56 CarbonylContact O-C 3.58Å; L44-Q56 WeakPolarHBondContact O-CA 3.11Å; L45-Q56 HydrophobicContact CD2-CB 4.4Å; L45-Q56 HydrophobicContact CD2-CG 3.96Å; L45-Q56 HydrophobicContact CG-CG 4.05Å
57R92.4Very high84.1Confident54 Ų5459.8 Ų59.820%0.20437%0.367CS..EExtended strand (participates in β ladder)trans-142154.9174.762.4177.4-61.5173.17.6111.2Q43 L44 N100 G101 Y102Q43-R57 WeakPolarHBondContact CA-O 3.39Å; L44-R57 HydrophobicContact CB-CG 3.63Å; L44-R57 HydrophobicContact CD1-CG 4.1Å; L44-R57 HydrophobicContact CG-CG 4.21Å; L44-R57 PolarHBondContact N-O 3.46Å; L44-R57 WeakPolarHBondContact O-CG 3.37Å; L44-R57 PolarHBondContact O-N 3.19Å; R57-N100 PolarHBondContact NH1-O 3.31Å; R57-G101 VanDerWaalsContact CZ-O 3.29Å; R57-G101 PolarHBondContact NH1-O 3.42Å; R57-G101 PolarHBondContact NH2-O 3.35Å; R57-Y102 VanDerWaalsContact NH1-CD2 3.31Å; R57-Y102 VanDerWaalsContact NH1-N 3.17Å
58Q93.6Very high83.4Confident74 Ų7463.8 Ų63.835%0.34640%0.395SS..EExtended strand (participates in β ladder)trans-103.7131.6166.9-76.4174.6-33.700108.9A42 Q43A42-Q58 CarbonylContact O-C 3.55Å; A42-Q58 WeakPolarHBondContact O-CA 3.49Å; Q43-Q58 HydrophobicContact CG-CG 4.4Å
59L93.3Very high82.9Confident9 Ų966.9 Ų66.95%0.04741%0.414CS..EExtended strand (participates in β ladder)trans-109.1125.4172.4179.362.7000107.4S41 A42 L44 L86 L88 Y97S41-L59 CarbonylContact C-O 3.58Å; S41-L59 WeakPolarHBondContact CA-O 3.23Å; A42-L59 HydrophobicContact CB-CB 4.38Å; A42-L59 PolarHBondContact N-O 2.88Å; A42-L59 PolarHBondContact O-N 2.79Å; L44-L59 HydrophobicContact CD1-CB 4.17Å; L44-L59 HydrophobicContact CD1-CD2 4.16Å; L44-L59 HydrophobicContact CG-CB 4.49Å; L59-L86 HydrophobicContact CD2-CD2 3.83Å; L59-L88 HydrophobicContact CD2-CD1 3.73Å; L59-L88 HydrophobicContact CG-CD1 3.95Å; L59-Y97 HydrophobicContact CD1-CD1 4.42Å; L59-Y97 HydrophobicContact CD1-CE1 3.83Å; L59-Y97 HydrophobicContact CD1-CE2 4.41Å; L59-Y97 HydrophobicContact CD2-CD2 4.24Å; L59-Y97 HydrophobicContact CD2-CE2 4.04Å
60H92.1Very high83Confident96 Ų9665.3 Ų65.344%0.44440%0.403SS..EExtended strand (participates in β ladder)trans-106.3144.2171.9-62.586.7000107.9K62H60-K62 PolarHBondContact O-N 2.95Å
61A86.4Confident83.5Confident11 Ų1164.5 Ų64.59%0.09140%0.402CS..  trans-57.9125.7169.200000108.8P70 L88 Q95A61-P70 HydrophobicContact CB-CG 3.43Å; A61-P70 VanDerWaalsContact CB-CG 3.43Å; A61-L88 HydrophobicContact CB-CD2 4.06Å; A61-Q95 VanDerWaalsContact CA-OE1 3.27Å
62K83.9Confident84.2Confident112 Ų11264.8 Ų64.849%0.48740%0.404SS..  trans-74.3128.9178.2-74-172.8177.7-1770109.7H60 Q95 M104H60-K62 PolarHBondContact O-N 2.95Å; K62-Q95 PolarHBondContact O-NE2 2.79Å; K62-M104 HydrophobicContact CB-SD 4.28Å; K62-M104 HydrophobicContact CD-CB 4.45Å; K62-M104 HydrophobicContact CD-CE 4.4Å; K62-M104 HydrophobicContact CD-SD 4.16Å
63E76.7Confident84.6Confident63 Ų6363 Ų6329%0.29439%0.393SS..  trans-133.2169.8175.3-66.3-157.3165.100112.1V67 P70 R92E63-V67 VanDerWaalsContact OE2-CB 3.32Å; E63-V67 WeakPolarHBondContact OE2-CB 3.11Å; E63-V67 WeakPolarHBondContact OE2-CG1 3.44Å; E63-P70 HydrophobicContact CG-CG 4.38Å; E63-P70 WeakPolarHBondContact OE1-CB 3.38Å; E63-P70 WeakPolarHBondContact OE1-CD 3.34Å; E63-P70 WeakPolarHBondContact OE1-CG 3.39Å; E63-R92 WeakPolarHBondContact OE1-CG 3.4Å; E63-R92 IonicContact OE1-NE 3.66Å
64G65.3Low85Confident54 Ų5460.7 Ų60.756%0.55738%0.377SS*.  trans-64.6153.4168.400000111.8G66G64-G66 PolarHBondContact O-N 3.1Å
65A63.8Low85.4Confident110 Ų11056 Ų5691%0.90935%0.353SS*.THydrogen-bonded Turntrans-60.1137.2-178.300000112.1
66G63.6Low85.7Confident90 Ų9054.8 Ų54.893%0.92834%0.337SS*.THydrogen-bonded Turntrans89.55.3173.200000116.2G64G64-G66 PolarHBondContact O-N 3.1Å
67V74.9Confident86Confident73 Ų7352.3 Ų52.344%0.44233%0.325SS..PPolyproline II helixtrans-100.4142.7176.5-168.50000110.2E63E63-V67 VanDerWaalsContact OE2-CB 3.32Å; E63-V67 WeakPolarHBondContact OE2-CB 3.11Å; E63-V67 WeakPolarHBondContact OE2-CG1 3.44Å
68S77.3Confident86.2Confident83 Ų8349.8 Ų49.858%0.5832%0.316SS*.PPolyproline II helixtrans-63.8137.1173.858.80000110.2
69P80Confident86.3Confident80 Ų8050.6 Ų50.652%0.51933%0.326SS..PPolyproline II helixtrans-59137.6-178.625.5-33.9000110.6P40P40-P69 HydrophobicContact CB-CB 4.06Å; P40-P69 HydrophobicContact CB-CG 4.13Å
70P85.2Confident86.3Confident8 Ų850.6 Ų50.65%0.05233%0.326CS..PPolyproline II helixtrans-76.1153.9-175.934.4-34.3000109.6A61 E63 I72 R92A61-P70 HydrophobicContact CB-CG 3.43Å; A61-P70 VanDerWaalsContact CB-CG 3.43Å; E63-P70 HydrophobicContact CG-CG 4.38Å; E63-P70 WeakPolarHBondContact OE1-CB 3.38Å; E63-P70 WeakPolarHBondContact OE1-CD 3.34Å; E63-P70 WeakPolarHBondContact OE1-CG 3.39Å; P70-I72 PolarHBondContact O-N 3Å; P70-R92 HydrophobicContact CB-CB 4.25Å; P70-R92 HydrophobicContact CB-CG 3.63Å; P70-R92 HydrophobicContact CG-CG 4.4Å
71L91Very high86.3Confident102 Ų10251.2 Ų51.253%0.53434%0.338SS..PPolyproline II helixtrans-68.5125.2167.9-65.1176.9000108.5S90 H91L71-S90 VanDerWaalsContact O-CA 3.24Å; L71-S90 WeakPolarHBondContact O-CA 3.05Å; L71-S90 VanDerWaalsContact O-CB 3.28Å; L71-S90 WeakPolarHBondContact O-CB 3.38Å; L71-H91 PolarHBondContact O-CD2 3.02Å; L71-H91 PolarHBondContact O-N 2.86Å; L71-H91 VanDerWaalsContact O-N 3.09Å
72I96Very high86.6Confident6 Ų654.8 Ų54.83%0.03135%0.352CS..EExtended strand (participates in β ladder)trans-82.3136.4173.6-63.5174.8000107.2V37 P40 A42 P70 L88 T89V37-I72 HydrophobicContact CB-CG2 4.4Å; V37-I72 HydrophobicContact CG1-CB 3.82Å; V37-I72 HydrophobicContact CG1-CG2 3.78Å; V37-I72 WeakPolarHBondContact CG1-O 3.47Å; V37-I72 HydrophobicContact CG2-CG2 3.72Å; P40-I72 WeakPolarHBondContact O-CD1 3.14Å; A42-I72 HydrophobicContact CB-CD1 4.28Å; P70-I72 PolarHBondContact O-N 3Å; I72-L88 HydrophobicContact CD1-CD1 3.87Å; I72-L88 HydrophobicContact CD1-CD2 4.35Å; I72-L88 HydrophobicContact CD1-CG 4.32Å; I72-L88 HydrophobicContact CG1-CD2 4.13Å; I72-L88 HydrophobicContact CG1-CG 4.48Å; I72-L88 HydrophobicContact CG2-CD2 4.33Å; I72-L88 HydrophobicContact CG2-CG 4.1Å; I72-T89 WeakPolarHBondContact CG2-O 3.41Å
73T97.1Very high87.1Confident15 Ų1550.7 Ų50.79%0.09233%0.333CS..EExtended strand (participates in β ladder)trans-108.3-27.9-175.550.60000112.2T89 S90 F122 A123T73-T89 PolarHBondContact N-O 3.41Å; T73-T89 WeakPolarHBondContact OG1-CB 3.06Å; T73-T89 PolarHBondContact OG1-O 2.92Å; T73-T89 VanDerWaalsContact OG1-O 3.07Å; T73-T89 PolarHBondContact OG1-OG1 3.41Å; T73-S90 PolarHBondContact OG1-N 3.39Å; T73-F122 HydrophobicContact CG2-CB 4.02Å; T73-A123 WeakPolarHBondContact CB-O 3.4Å; T73-A123 PolarHBondContact OG1-O 2.89Å
74Q98.1Very high88.1Confident10 Ų1049.2 Ų49.25%0.04733%0.329CS..EExtended strand (participates in β ladder)trans-161.3150.8176-160.1173.67.900110.8L88 T89 I126Q74-L88 WeakPolarHBondContact O-CA 3.4Å; Q74-T89 VanDerWaalsContact CB-OG1 3.3Å; Q74-T89 WeakPolarHBondContact CB-OG1 3.49Å; Q74-T89 PolarHBondContact N-OG1 2.88Å; Q74-T89 PolarHBondContact O-N 2.88Å; Q74-T89 PolarHBondContact O-OG1 3.45Å; Q74-I126 HydrophobicContact CB-CD1 3.95Å; Q74-I126 HydrophobicContact CG-CD1 3.95Å
75V98.4Very high89.6Confident5 Ų546.7 Ų46.73%0.0330%0.302CS..EExtended strand (participates in β ladder)trans-129.8130.2165.364.90000108.3S22 V37 A42 L44 L86 V87S22-V75 VanDerWaalsContact CB-O 3.27Å; S22-V75 WeakPolarHBondContact CB-O 3.21Å; V37-V75 HydrophobicContact CG2-CB 4.35Å; V37-V75 HydrophobicContact CG2-CG1 3.96Å; A42-V75 HydrophobicContact CB-CB 4.19Å; A42-V75 HydrophobicContact CB-CG1 4.23Å; A42-V75 HydrophobicContact CB-CG2 4.32Å; L44-V75 HydrophobicContact CD2-CG2 4.08Å; V75-L86 HydrophobicContact CG2-CD1 3.44Å; V75-L86 VanDerWaalsContact CG2-CD1 3.44Å; V75-L86 HydrophobicContact CG2-CD2 4.41Å; V75-L86 HydrophobicContact CG2-CG 4.12Å; V75-V87 CarbonylContact C-O 3.52Å; V75-V87 WeakPolarHBondContact CA-O 3.35Å
76H98.5Very high91.3Very high33 Ų3341.4 Ų41.415%0.15326%0.259CS..EExtended strand (participates in β ladder)trans-149.4138.5-176.8-165.481.5000112.3S22 V87 I126S22-H76 WeakPolarHBondContact OG-CA 3.25Å; S22-H76 PolarHBondContact OG-ND1 3.5Å; H76-V87 PolarHBondContact N-O 3.46Å; H76-V87 PolarHBondContact O-N 2.64Å; H76-I126 HydrophobicContact CB-CB 4.01Å; H76-I126 HydrophobicContact CB-CD1 3.81Å; H76-I126 HydrophobicContact CB-CG2 4.07Å
77W98.3Very high92.9Very high10 Ų1037.1 Ų37.14%0.03822%0.215CC..EExtended strand (participates in β ladder)trans-85.6123.6169.6-75.5-82000111.3S22 L24 Y33 F34 G35 L44 V84 L85 L86 S99S22-W77 PolarHBondContact OG-N 2.84Å; L24-W77 HydrophobicContact CB-CB 3.93Å; L24-W77 HydrophobicContact CB-CD2 3.71Å; L24-W77 HydrophobicContact CB-CE3 3.87Å; L24-W77 HydrophobicContact CB-CG 3.74Å; L24-W77 HydrophobicContact CD1-CB 4.42Å; L24-W77 HydrophobicContact CD2-CB 4.18Å; L24-W77 VanDerWaalsContact CD2-CD1 3.49Å; L24-W77 HydrophobicContact CD2-CD2 4.14Å; L24-W77 HydrophobicContact CD2-CG 3.68Å; L24-W77 HydrophobicContact CG-CB 4.41Å; L24-W77 HydrophobicContact CG-CG 4.24Å; Y33-W77 HydrophobicContact CG-CZ2 4.42Å; F34-W77 VanDerWaalsContact C-CH2 3.42Å; F34-W77 WeakPolarHBondContact O-CH2 3.33Å; G35-W77 VanDerWaalsContact N-CZ3 3.27Å; L44-W77 HydrophobicContact CD2-CH2 3.87Å; L44-W77 HydrophobicContact CD2-CZ2 3.96Å; W77-V84 HydrophobicContact CB-CG1 4.33Å; W77-L85 CarbonylContact C-O 3.47Å; W77-L85 WeakPolarHBondContact CA-O 3.22Å; W77-L86 HydrophobicContact CD2-CD1 3.79Å; W77-L86 HydrophobicContact CE3-CD1 4.4Å; W77-L86 HydrophobicContact CG-CD1 4.01Å; W77-L86 HydrophobicContact CZ2-CD1 4Å; W77-S99 PolarHBondContact NE1-O 3.25Å
78C97.4Very high94Very high1 Ų133.7 Ų33.71%0.00719%0.194CC..EExtended strand (participates in β ladder)trans-95.9112.6171.7-70.20000109.4V84 L85 V87 I126 A128 I133C78-V84 WeakPolarHBondContact O-CA 3.41Å; C78-L85 PolarHBondContact N-O 3.17Å; C78-L85 PolarHBondContact O-N 3.42Å; C78-V87 HydrophobicContact CB-CG2 4.4Å; C78-I126 VanDerWaalsContact SG-CG2 3.51Å; C78-A128 HydrophobicContact CB-CB 3.91Å; C78-I133 HydrophobicContact CB-CD1 3.64Å; C78-I133 HydrophobicContact CB-CG1 3.82Å
79V95Very high95Very high92 Ų9229.7 Ų29.756%0.55817%0.166SC*.EExtended strand (participates in β ladder)trans-89.4106.6174.6-177.40000108.7L24 V84L24-V79 HydrophobicContact CD1-CG2 3.56Å; V79-V84 HydrophobicContact CB-CG2 4.46Å; V79-V84 HydrophobicContact CG1-CG2 4.2Å; V79-V84 HydrophobicContact CG2-CG1 4.23Å; V79-V84 HydrophobicContact CG2-CG2 4.23Å
80L94.3Very high95.7Very high9 Ų925.9 Ų25.95%0.04714%0.141CC..  trans-100.9163176.7-55153.4000109.4F82 R83 L85 A128 G130 I133 I147L80-F82 HydrophobicContact CB-CE2 4.15Å; L80-F82 HydrophobicContact CB-CZ 4.34Å; L80-F82 HydrophobicContact CD1-CE2 4.24Å; L80-F82 PolarHBondContact O-N 3.14Å; L80-R83 WeakPolarHBondContact CA-O 3.26Å; L80-R83 VanDerWaalsContact CB-O 3.24Å; L80-R83 WeakPolarHBondContact CB-O 3.09Å; L80-R83 HydrophobicContact CD1-CG 4.04Å; L80-R83 PolarHBondContact N-O 3.42Å; L80-R83 PolarHBondContact O-N 2.91Å; L80-L85 HydrophobicContact CD1-CD1 4.47Å; L80-A128 HydrophobicContact CD2-CB 3.99Å; L80-G130 WeakPolarHBondContact CD2-O 3.44Å; L80-I133 HydrophobicContact CD1-CD1 4.22Å; L80-I133 HydrophobicContact CD1-CG1 4.38Å; L80-I133 HydrophobicContact CD2-CG1 4.19Å; L80-I147 HydrophobicContact CD1-CB 3.77Å; L80-I147 HydrophobicContact CD1-CG1 3.91Å; L80-I147 HydrophobicContact CD1-CG2 3.55Å
81P91.8Very high96.1Very high109 Ų10928.6 Ų28.671%0.70815%0.153SC*.SBendtrans-54.6-28.6-177-29.935.1000115.4G130P81-G130 WeakPolarHBondContact CD-O 3.19Å
82F93Very high96Very high86 Ų8629.8 Ų29.838%0.37715%0.15SC..SBendtrans-119.4-14.3-172.642.9-107.5000114.1L80 H131 I147 P148 A149L80-F82 HydrophobicContact CB-CE2 4.15Å; L80-F82 HydrophobicContact CB-CZ 4.34Å; L80-F82 HydrophobicContact CD1-CE2 4.24Å; L80-F82 PolarHBondContact O-N 3.14Å; F82-H131 HydrophobicContact CE1-CB 3.61Å; F82-H131 HydrophobicContact CZ-CB 3.66Å; F82-I147 HydrophobicContact CE2-CG2 4.23Å; F82-I147 WeakPolarHBondContact CE2-O 3.45Å; F82-I147 WeakPolarHBondContact CZ-O 3.3Å; F82-P148 WeakPolarHBondContact CE2-O 3.47Å; F82-A149 HydrophobicContact CB-CB 4.3Å; F82-A149 HydrophobicContact CD1-CB 4.45Å; F82-A149 HydrophobicContact CD2-CB 4.24Å; F82-A149 HydrophobicContact CG-CB 4.06Å
83R94.5Very high95.9Very high26 Ų2629.5 Ų29.510%0.09815%0.149CC..  trans-160.2162.9-179.576-172-67.3-177.70.5111.8L80 L85 E98 P148 G151L80-R83 WeakPolarHBondContact CA-O 3.26Å; L80-R83 VanDerWaalsContact CB-O 3.24Å; L80-R83 WeakPolarHBondContact CB-O 3.09Å; L80-R83 HydrophobicContact CD1-CG 4.04Å; L80-R83 PolarHBondContact N-O 3.42Å; L80-R83 PolarHBondContact O-N 2.91Å; R83-L85 HydrophobicContact CG-CG 4.37Å; R83-E98 IonicContact CZ-OE2 3.9Å; R83-E98 IonicContact NH2-OE1 2.77Å; R83-E98 PolarHBondContact NH2-OE1 3.19Å; R83-E98 IonicContact NH2-OE2 2.85Å; R83-E98 PolarHBondContact NH2-OE2 2.81Å; R83-P148 WeakPolarHBondContact CD-O 3.4Å; R83-G151 PolarHBondContact NH1-O 3.32Å
84V95.9Very high95.9Very high32 Ų3228.8 Ų28.819%0.19415%0.145CC..EExtended strand (participates in β ladder)trans-114.5129.9171.8-176.10000108.7L24 W77 C78 V79 S99L24-V84 HydrophobicContact CD1-CG1 4.08Å; L24-V84 HydrophobicContact CD2-CG1 3.78Å; W77-V84 HydrophobicContact CB-CG1 4.33Å; C78-V84 WeakPolarHBondContact O-CA 3.41Å; V79-V84 HydrophobicContact CB-CG2 4.46Å; V79-V84 HydrophobicContact CG1-CG2 4.2Å; V79-V84 HydrophobicContact CG2-CG1 4.23Å; V79-V84 HydrophobicContact CG2-CG2 4.23Å; V84-S99 WeakPolarHBondContact O-CB 3.5Å; V84-S99 PolarHBondContact O-N 3.2Å
85L97.8Very high95.9Very high0 Ų028.3 Ų28.30%014%0.142CC..EExtended strand (participates in β ladder)trans-114.8144.7174.2-68.2-177.5000110.3W77 C78 L80 R83 M96 Y97 V105 I133 I147 I154W77-L85 CarbonylContact C-O 3.47Å; W77-L85 WeakPolarHBondContact CA-O 3.22Å; C78-L85 PolarHBondContact N-O 3.17Å; C78-L85 PolarHBondContact O-N 3.42Å; L80-L85 HydrophobicContact CD1-CD1 4.47Å; R83-L85 HydrophobicContact CG-CG 4.37Å; L85-M96 HydrophobicContact CD1-SD 4.42Å; L85-Y97 WeakPolarHBondContact CA-O 3.41Å; L85-Y97 VanDerWaalsContact CD2-O 3.3Å; L85-Y97 WeakPolarHBondContact CD2-O 3.3Å; L85-V105 HydrophobicContact CD2-CG2 4.01Å; L85-I133 HydrophobicContact CB-CD1 4.12Å; L85-I133 HydrophobicContact CD1-CD1 3.91Å; L85-I147 HydrophobicContact CD1-CD1 4.32Å; L85-I147 HydrophobicContact CD1-CG2 3.6Å; L85-I154 HydrophobicContact CD1-CD1 3.97Å
86L98.2Very high95.8Very high0 Ų028.1 Ų28.10%014%0.141CC..EExtended strand (participates in β ladder)trans-95.2120.4167.2177.265.9000108.2L44 L59 V75 W77 M96 Y97L44-L86 HydrophobicContact CD1-CD2 3.45Å; L44-L86 VanDerWaalsContact CD1-CD2 3.45Å; L44-L86 HydrophobicContact CD2-CD1 4.35Å; L44-L86 HydrophobicContact CD2-CD2 3.82Å; L44-L86 HydrophobicContact CG-CD2 4.29Å; L59-L86 HydrophobicContact CD2-CD2 3.83Å; V75-L86 HydrophobicContact CG2-CD1 3.44Å; V75-L86 VanDerWaalsContact CG2-CD1 3.44Å; V75-L86 HydrophobicContact CG2-CD2 4.41Å; V75-L86 HydrophobicContact CG2-CG 4.12Å; W77-L86 HydrophobicContact CD2-CD1 3.79Å; W77-L86 HydrophobicContact CE3-CD1 4.4Å; W77-L86 HydrophobicContact CG-CD1 4.01Å; W77-L86 HydrophobicContact CZ2-CD1 4Å; L86-M96 WeakPolarHBondContact O-CA 3.36Å; L86-Y97 PolarHBondContact N-O 2.83Å; L86-Y97 PolarHBondContact O-N 3.45Å
87V98.6Very high95.8Very high0 Ų026.6 Ų26.60%013%0.134CC..EExtended strand (participates in β ladder)trans-104.5133.8178.5-173.50000109V75 H76 C78 T89 I94 Q95 M96 I126 I133 V135V75-V87 CarbonylContact C-O 3.52Å; V75-V87 WeakPolarHBondContact CA-O 3.35Å; H76-V87 PolarHBondContact N-O 3.46Å; H76-V87 PolarHBondContact O-N 2.64Å; C78-V87 HydrophobicContact CB-CG2 4.4Å; V87-T89 HydrophobicContact CG1-CG2 4.44Å; V87-I94 HydrophobicContact CG1-CG2 3.94Å; V87-Q95 WeakPolarHBondContact CA-O 3.28Å; V87-M96 HydrophobicContact CG2-CG 4.36Å; V87-I126 HydrophobicContact CB-CD1 4.13Å; V87-I126 HydrophobicContact CB-CG2 3.92Å; V87-I126 HydrophobicContact CG1-CD1 3.92Å; V87-I126 HydrophobicContact CG1-CG1 4.28Å; V87-I126 HydrophobicContact CG1-CG2 4.05Å; V87-I126 HydrophobicContact CG2-CG2 4.14Å; V87-I133 HydrophobicContact CG2-CD1 3.9Å; V87-I133 HydrophobicContact CG2-CG2 4.07Å; V87-V135 HydrophobicContact CG1-CG2 4.4Å
88L98.1Very high95.6Very high0 Ų029 Ų290%015%0.145CC..EExtended strand (participates in β ladder)trans-124.6123176.5179.6161.2000107.9A42 L59 A61 I72 Q74 Q95 Y97A42-L88 HydrophobicContact CB-CD1 4.46Å; L59-L88 HydrophobicContact CD2-CD1 3.73Å; L59-L88 HydrophobicContact CG-CD1 3.95Å; A61-L88 HydrophobicContact CB-CD2 4.06Å; I72-L88 HydrophobicContact CD1-CD1 3.87Å; I72-L88 HydrophobicContact CD1-CD2 4.35Å; I72-L88 HydrophobicContact CD1-CG 4.32Å; I72-L88 HydrophobicContact CG1-CD2 4.13Å; I72-L88 HydrophobicContact CG1-CG 4.48Å; I72-L88 HydrophobicContact CG2-CD2 4.33Å; I72-L88 HydrophobicContact CG2-CG 4.1Å; Q74-L88 WeakPolarHBondContact O-CA 3.4Å; L88-Q95 HydrophobicContact CB-CB 4.41Å; L88-Q95 PolarHBondContact N-O 2.92Å; L88-Q95 PolarHBondContact O-N 2.87Å; L88-Y97 HydrophobicContact CB-CE2 4.37Å
89T97.9Very high95.4Very high0 Ų030.7 Ų30.70%016%0.158CC..EExtended strand (participates in β ladder)trans-108.4151.1175.559.20000110.4I72 T73 Q74 V87 I94 A123 I126 V135I72-T89 WeakPolarHBondContact CG2-O 3.41Å; T73-T89 PolarHBondContact N-O 3.41Å; T73-T89 WeakPolarHBondContact OG1-CB 3.06Å; T73-T89 PolarHBondContact OG1-O 2.92Å; T73-T89 VanDerWaalsContact OG1-O 3.07Å; T73-T89 PolarHBondContact OG1-OG1 3.41Å; Q74-T89 VanDerWaalsContact CB-OG1 3.3Å; Q74-T89 WeakPolarHBondContact CB-OG1 3.49Å; Q74-T89 PolarHBondContact N-OG1 2.88Å; Q74-T89 PolarHBondContact O-N 2.88Å; Q74-T89 PolarHBondContact O-OG1 3.45Å; V87-T89 HydrophobicContact CG1-CG2 4.44Å; T89-I94 HydrophobicContact CG2-CG1 4.33Å; T89-I94 HydrophobicContact CG2-CG2 4.47Å; T89-A123 VanDerWaalsContact CB-O 3.26Å; T89-A123 WeakPolarHBondContact CB-O 3.32Å; T89-A123 HydrophobicContact CG2-CB 3.98Å; T89-A123 PolarHBondContact OG1-O 2.84Å; T89-I126 HydrophobicContact CG2-CD1 3.73Å; T89-I126 HydrophobicContact CG2-CG1 3.88Å; T89-V135 HydrophobicContact CG2-CG1 3.63Å
90S95.6Very high95.2Very high0 Ų029.5 Ų29.50%015%0.148CC..EExtended strand (participates in β ladder)trans-151.6179.8-176.566.70000111L71 T73 R92 G93 A123L71-S90 VanDerWaalsContact O-CA 3.24Å; L71-S90 WeakPolarHBondContact O-CA 3.05Å; L71-S90 VanDerWaalsContact O-CB 3.28Å; L71-S90 WeakPolarHBondContact O-CB 3.38Å; T73-S90 PolarHBondContact OG1-N 3.39Å; S90-R92 PolarHBondContact O-N 2.87Å; S90-R92 VanDerWaalsContact O-N 3.16Å; S90-R92 PolarHBondContact OG-N 3Å; S90-G93 PolarHBondContact N-O 3.01Å; S90-G93 PolarHBondContact OG-N 2.86Å; S90-G93 PolarHBondContact OG-O 3.37Å; S90-A123 PolarHBondContact O-N 2.79Å
91H91.8Very high95.1Very high65 Ų6529.1 Ų29.130%0.30115%0.146SC..SBendtrans-68.5-2.4170.8-75.4-101.5000114.9L71 V121L71-H91 PolarHBondContact O-CD2 3.02Å; L71-H91 PolarHBondContact O-N 2.86Å; L71-H91 VanDerWaalsContact O-N 3.09Å; H91-V121 CarbonylContact C-O 3.58Å; H91-V121 WeakPolarHBondContact CA-O 3.43Å; H91-V121 VanDerWaalsContact CB-O 3.31Å; H91-V121 WeakPolarHBondContact CB-O 3.5Å; H91-V121 PolarHBondContact ND1-O 2.61Å; H91-V121 VanDerWaalsContact O-O 3.13Å
92R89.4Confident95.1Very high127 Ų12731.4 Ų31.448%0.47914%0.142SC..SBendtrans-118.4-22.8-176.3-69.1-74.1-157.9-164.4-2.1113.8E63 P70 S90 W107 L110E63-R92 WeakPolarHBondContact OE1-CG 3.4Å; E63-R92 IonicContact OE1-NE 3.66Å; P70-R92 HydrophobicContact CB-CB 4.25Å; P70-R92 HydrophobicContact CB-CG 3.63Å; P70-R92 HydrophobicContact CG-CG 4.4Å; S90-R92 PolarHBondContact O-N 2.87Å; S90-R92 VanDerWaalsContact O-N 3.16Å; S90-R92 PolarHBondContact OG-N 3Å; R92-W107 HydrophobicContact CB-CH2 3.99Å; R92-L110 PolarHBondContact O-N 2.85Å
93G94.1Very high95.1Very high0 Ų031 Ų310%015%0.147CC..EExtended strand (participates in β ladder)trans166.7-178.9-164.800000114.7S90 H108S90-G93 PolarHBondContact N-O 3.01Å; S90-G93 PolarHBondContact OG-N 2.86Å; S90-G93 PolarHBondContact OG-O 3.37Å; G93-H108 CarbonylContact C-O 3.58Å; G93-H108 WeakPolarHBondContact CA-O 3.5Å
94I97.3Very high95.1Very high0 Ų032.9 Ų32.90%016%0.157CC..EExtended strand (participates in β ladder)trans-118.7120.2-178.7-55.2166.4000106.9V87 T89 M96 W107 H108 A123 V135 L143 F145V87-I94 HydrophobicContact CG1-CG2 3.94Å; T89-I94 HydrophobicContact CG2-CG1 4.33Å; T89-I94 HydrophobicContact CG2-CG2 4.47Å; I94-M96 HydrophobicContact CG2-CE 4.27Å; I94-W107 WeakPolarHBondContact O-CA 3.39Å; I94-H108 HydrophobicContact CB-CB 4.34Å; I94-H108 PolarHBondContact N-O 2.94Å; I94-H108 PolarHBondContact O-N 2.89Å; I94-A123 HydrophobicContact CD1-CB 4.18Å; I94-A123 HydrophobicContact CG1-CB 3.8Å; I94-V135 HydrophobicContact CD1-CB 3.78Å; I94-V135 HydrophobicContact CD1-CG1 3.58Å; I94-V135 HydrophobicContact CD1-CG2 4.25Å; I94-V135 HydrophobicContact CG1-CG1 3.98Å; I94-V135 HydrophobicContact CG2-CG2 4.14Å; I94-L143 HydrophobicContact CD1-CD1 3.83Å; I94-F145 HydrophobicContact CD1-CE2 3.85Å; I94-F145 HydrophobicContact CD1-CZ 3.84Å
95Q97.3Very high95.1Very high0 Ų032.3 Ų32.30%015%0.154CC..EExtended strand (participates in β ladder)trans-111.2129.9176.5-66.6177.57.300108.9A61 K62 V87 L88 Y97 M104 W107A61-Q95 VanDerWaalsContact CA-OE1 3.27Å; K62-Q95 PolarHBondContact O-NE2 2.79Å; V87-Q95 WeakPolarHBondContact CA-O 3.28Å; L88-Q95 HydrophobicContact CB-CB 4.41Å; L88-Q95 PolarHBondContact N-O 2.92Å; L88-Q95 PolarHBondContact O-N 2.87Å; Q95-Y97 HydrophobicContact CB-CD2 4.22Å; Q95-Y97 HydrophobicContact CB-CE2 3.46Å; Q95-Y97 VanDerWaalsContact CB-CE2 3.46Å; Q95-Y97 PolarHBondContact OE1-OH 2.8Å; Q95-M104 HydrophobicContact CB-SD 4.34Å; Q95-M104 HydrophobicContact CG-SD 4.07Å; Q95-W107 HydrophobicContact CB-CE3 4.32Å; Q95-W107 HydrophobicContact CG-CD2 4.2Å; Q95-W107 HydrophobicContact CG-CE3 3.09Å; Q95-W107 HydrophobicContact CG-CZ3 3.35Å
96M97.9Very high95.1Very high0 Ų034.2 Ų34.20%016%0.162CC..EExtended strand (participates in β ladder)trans-112.9132.9173.4-52.5-177.8-178.300109.3L85 L86 V87 I94 M104 V105 Y106 I133 F145 I147 I154L85-M96 HydrophobicContact CD1-SD 4.42Å; L86-M96 WeakPolarHBondContact O-CA 3.36Å; V87-M96 HydrophobicContact CG2-CG 4.36Å; I94-M96 HydrophobicContact CG2-CE 4.27Å; M96-M104 CarbonylContact O-C 3.58Å; M96-M104 WeakPolarHBondContact O-CA 3.35Å; M96-V105 HydrophobicContact CB-CG2 4.13Å; M96-V105 WeakPolarHBondContact O-CG2 3.36Å; M96-V105 PolarHBondContact O-N 3.03Å; M96-Y106 HydrophobicContact CE-CD1 4.23Å; M96-Y106 HydrophobicContact CG-CD1 4.28Å; M96-Y106 PolarHBondContact N-O 2.73Å; M96-Y106 PolarHBondContact O-N 2.86Å; M96-Y106 HydrophobicContact SD-CD1 4.04Å; M96-I133 HydrophobicContact CE-CB 4.33Å; M96-I133 HydrophobicContact CE-CG2 4.05Å; M96-I133 HydrophobicContact SD-CD1 4.26Å; M96-F145 HydrophobicContact CE-CB 3.84Å; M96-F145 HydrophobicContact CE-CD1 4.15Å; M96-F145 HydrophobicContact CE-CD2 3.51Å; M96-F145 HydrophobicContact CE-CE2 4.09Å; M96-F145 HydrophobicContact CE-CG 3.55Å; M96-I147 HydrophobicContact CE-CD1 4.4Å; M96-I147 HydrophobicContact SD-CD1 3.92Å; M96-I154 HydrophobicContact SD-CD1 3.95Å; M96-I154 HydrophobicContact SD-CG2 4.08Å
97Y97.3Very high94.9Very high1 Ų138.8 Ų38.80%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-122.6157-179.7-63.3-102.1000110.1L59 L85 L86 L88 Q95 T103 M104L59-Y97 HydrophobicContact CD1-CD1 4.42Å; L59-Y97 HydrophobicContact CD1-CE1 3.83Å; L59-Y97 HydrophobicContact CD1-CE2 4.41Å; L59-Y97 HydrophobicContact CD2-CD2 4.24Å; L59-Y97 HydrophobicContact CD2-CE2 4.04Å; L85-Y97 WeakPolarHBondContact CA-O 3.41Å; L85-Y97 VanDerWaalsContact CD2-O 3.3Å; L85-Y97 WeakPolarHBondContact CD2-O 3.3Å; L86-Y97 PolarHBondContact N-O 2.83Å; L86-Y97 PolarHBondContact O-N 3.45Å; L88-Y97 HydrophobicContact CB-CE2 4.37Å; Q95-Y97 HydrophobicContact CB-CD2 4.22Å; Q95-Y97 HydrophobicContact CB-CE2 3.46Å; Q95-Y97 VanDerWaalsContact CB-CE2 3.46Å; Q95-Y97 PolarHBondContact OE1-OH 2.8Å; Y97-T103 CarbonylContact C-O 3.53Å; Y97-T103 WeakPolarHBondContact CA-O 3.41Å; Y97-T103 WeakPolarHBondContact CB-O 3.26Å; Y97-M104 HydrophobicContact CD1-CB 3.8Å; Y97-M104 HydrophobicContact CD1-CG 4.42Å; Y97-M104 HydrophobicContact CE1-CB 3.63Å; Y97-M104 HydrophobicContact CE1-CG 4.15Å; Y97-M104 HydrophobicContact CG-CB 4.49Å
98E95.1Very high94.8Very high60 Ų6040.8 Ų40.828%0.2819%0.188SC..EExtended strand (participates in β ladder)trans-52.5152.8160-63.6-62.8173.700110.3R83 N100 G101 T103 V105R83-E98 IonicContact CZ-OE2 3.9Å; R83-E98 IonicContact NH2-OE1 2.77Å; R83-E98 PolarHBondContact NH2-OE1 3.19Å; R83-E98 IonicContact NH2-OE2 2.85Å; R83-E98 PolarHBondContact NH2-OE2 2.81Å; E98-N100 PolarHBondContact O-N 2.77Å; E98-G101 PolarHBondContact O-N 2.91Å; E98-T103 PolarHBondContact N-O 2.85Å; E98-V105 HydrophobicContact CG-CG1 3.96Å; E98-V105 WeakPolarHBondContact OE1-CG1 3.41Å
99S93.6Very high94.5Very high38 Ų3843.5 Ų43.527%0.26621%0.211SC..THydrogen-bonded Turntrans-51.5-27.2-173.260.60000115.4W77 V84 G101W77-S99 PolarHBondContact NE1-O 3.25Å; V84-S99 WeakPolarHBondContact O-CB 3.5Å; V84-S99 PolarHBondContact O-N 3.2Å; S99-G101 VanDerWaalsContact C-N 3.34Å
100N90.1Very high94.2Very high67 Ų6744.7 Ų44.736%0.35822%0.217SC..THydrogen-bonded Turntrans-77.9-14.2177.862.127.7000114.2R57 E98 Y102R57-N100 PolarHBondContact NH1-O 3.31Å; E98-N100 PolarHBondContact O-N 2.77Å; N100-Y102 HydrophobicContact CB-CD2 3.88Å; N100-Y102 HydrophobicContact CB-CE2 4.35Å; N100-Y102 VanDerWaalsContact CG-CD2 3.48Å; N100-Y102 WeakPolarHBondContact OD1-CB 3.24Å; N100-Y102 PolarHBondContact OD1-N 3.38Å
101G91.4Very high93.4Very high1 Ų151 Ų511%0.0125%0.25CS..SBendtrans79.110.1-177.700000115.8R57 E98 S99R57-G101 VanDerWaalsContact CZ-O 3.29Å; R57-G101 PolarHBondContact NH1-O 3.42Å; R57-G101 PolarHBondContact NH2-O 3.35Å; E98-G101 PolarHBondContact O-N 2.91Å; S99-G101 VanDerWaalsContact C-N 3.34Å
102Y91.3Very high92.3Very high156 Ų15650.9 Ų50.961%0.61226%0.257SS*.SBendtrans-84.3-48.7-178.7-75.6-68.4000112.8R57 N100R57-Y102 VanDerWaalsContact NH1-CD2 3.31Å; R57-Y102 VanDerWaalsContact NH1-N 3.17Å; N100-Y102 HydrophobicContact CB-CD2 3.88Å; N100-Y102 HydrophobicContact CB-CE2 4.35Å; N100-Y102 VanDerWaalsContact CG-CD2 3.48Å; N100-Y102 WeakPolarHBondContact OD1-CB 3.24Å; N100-Y102 PolarHBondContact OD1-N 3.38Å
103T93.6Very high91.3Very high79 Ų7947.3 Ų47.349%0.48526%0.259SS..SBendtrans-105.2116.7-172.2-55.90000109Y97 E98 V105Y97-T103 CarbonylContact C-O 3.53Å; Y97-T103 WeakPolarHBondContact CA-O 3.41Å; Y97-T103 WeakPolarHBondContact CB-O 3.26Å; E98-T103 PolarHBondContact N-O 2.85Å; T103-V105 HydrophobicContact CG2-CG1 4.45Å
104M94.9Very high89.5Confident64 Ų6455.6 Ų55.632%0.31530%0.304SS..EExtended strand (participates in β ladder)trans-74.4126168.8-170.5175.776.600107.6K62 Q95 M96 Y97 W107K62-M104 HydrophobicContact CB-SD 4.28Å; K62-M104 HydrophobicContact CD-CB 4.45Å; K62-M104 HydrophobicContact CD-CE 4.4Å; K62-M104 HydrophobicContact CD-SD 4.16Å; Q95-M104 HydrophobicContact CB-SD 4.34Å; Q95-M104 HydrophobicContact CG-SD 4.07Å; M96-M104 CarbonylContact O-C 3.58Å; M96-M104 WeakPolarHBondContact O-CA 3.35Å; Y97-M104 HydrophobicContact CD1-CB 3.8Å; Y97-M104 HydrophobicContact CD1-CG 4.42Å; Y97-M104 HydrophobicContact CE1-CB 3.63Å; Y97-M104 HydrophobicContact CE1-CG 4.15Å; Y97-M104 HydrophobicContact CG-CB 4.49Å; M104-W107 HydrophobicContact CE-CB 4.16Å; M104-W107 HydrophobicContact SD-CB 4.34Å
105V96.1Very high87.8Confident20 Ų2056.8 Ų56.812%0.12131%0.313CS..EExtended strand (participates in β ladder)trans-105.5-21.7-179.1-64.60000112.2L85 M96 E98 T103 P152 I154L85-V105 HydrophobicContact CD2-CG2 4.01Å; M96-V105 HydrophobicContact CB-CG2 4.13Å; M96-V105 WeakPolarHBondContact O-CG2 3.36Å; M96-V105 PolarHBondContact O-N 3.03Å; E98-V105 HydrophobicContact CG-CG1 3.96Å; E98-V105 WeakPolarHBondContact OE1-CG1 3.41Å; T103-V105 HydrophobicContact CG2-CG1 4.45Å; V105-P152 WeakPolarHBondContact O-CB 3.2Å; V105-I154 HydrophobicContact CG2-CD1 3.84Å
106Y96.6Very high86Confident41 Ų4159.5 Ų59.516%0.16133%0.332CS..EExtended strand (participates in β ladder)trans-154.1150.2179.7-175.7-102.1000111.7M96 H108 F145 I154M96-Y106 HydrophobicContact CE-CD1 4.23Å; M96-Y106 HydrophobicContact CG-CD1 4.28Å; M96-Y106 PolarHBondContact N-O 2.73Å; M96-Y106 PolarHBondContact O-N 2.86Å; M96-Y106 HydrophobicContact SD-CD1 4.04Å; Y106-H108 HydrophobicContact CE1-CB 3.71Å; Y106-F145 AromaticContact CE1-CD1 3.68Å; Y106-F145 HydrophobicContact CE1-CD1 3.68Å; Y106-F145 AromaticContact CE1-CE1 3.55Å; Y106-F145 HydrophobicContact CE1-CE1 3.55Å; Y106-F145 HydrophobicContact CE1-CZ 4.43Å; Y106-F145 AromaticContact CZ-CE1 3.97Å; Y106-I154 HydrophobicContact CD1-CB 4.46Å; Y106-I154 HydrophobicContact CD1-CG2 3.86Å; Y106-I154 HydrophobicContact CD2-CB 3.64Å; Y106-I154 HydrophobicContact CD2-CG2 3.81Å; Y106-I154 WeakPolarHBondContact CD2-O 3.28Å; Y106-I154 HydrophobicContact CE1-CG2 4.07Å; Y106-I154 HydrophobicContact CE2-CB 4.18Å; Y106-I154 HydrophobicContact CE2-CG2 4.04Å; Y106-I154 WeakPolarHBondContact CE2-O 3.42Å; Y106-I154 HydrophobicContact CG-CB 3.8Å; Y106-I154 HydrophobicContact CG-CD1 4.32Å; Y106-I154 HydrophobicContact CG-CG2 3.72Å
107W95.3Very high84.3Confident95 Ų9566 Ų6636%0.3638%0.375SS..EExtended strand (participates in β ladder)trans-140.9132.9174.2163.1-108.2000109.3R92 I94 Q95 M104 A109R92-W107 HydrophobicContact CB-CH2 3.99Å; I94-W107 WeakPolarHBondContact O-CA 3.39Å; Q95-W107 HydrophobicContact CB-CE3 4.32Å; Q95-W107 HydrophobicContact CG-CD2 4.2Å; Q95-W107 HydrophobicContact CG-CE3 3.09Å; Q95-W107 HydrophobicContact CG-CZ3 3.35Å; M104-W107 HydrophobicContact CE-CB 4.16Å; M104-W107 HydrophobicContact SD-CB 4.34Å; W107-A109 HydrophobicContact CZ2-CB 4.22Å
108H95.5Very high82.6Confident43 Ų4372.3 Ų72.320%0.19941%0.413CS..EExtended strand (participates in β ladder)trans-125.1118.1171.4-173.190.7000108.8G93 I94 Y106 F145G93-H108 CarbonylContact C-O 3.58Å; G93-H108 WeakPolarHBondContact CA-O 3.5Å; I94-H108 HydrophobicContact CB-CB 4.34Å; I94-H108 PolarHBondContact N-O 2.94Å; I94-H108 PolarHBondContact O-N 2.89Å; Y106-H108 HydrophobicContact CE1-CB 3.71Å; H108-F145 HydrophobicContact CB-CE1 4.13Å; H108-F145 HydrophobicContact CB-CZ 4.16Å; H108-F145 AromaticContact ND1-CE1 3.95Å
109A93.4Very high81.4Confident57 Ų5774.9 Ų74.947%0.47143%0.425SS..EExtended strand (participates in β ladder)trans-76.5137.9173.600000109.5W107W107-A109 HydrophobicContact CZ2-CB 4.22Å
110L91.1Very high80.8Confident25 Ų2575.6 Ų75.613%0.13143%0.434CS..PPolyproline II helixtrans-82.4123.6168.1-66.8169.8000108.2R92 V121 A123 T137 L143R92-L110 PolarHBondContact O-N 2.85Å; L110-V121 HydrophobicContact CB-CG1 3.59Å; L110-V121 HydrophobicContact CD1-CG1 4.02Å; L110-V121 HydrophobicContact CG-CG1 4.45Å; L110-A123 HydrophobicContact CD1-CB 3.83Å; L110-A123 HydrophobicContact CD2-CB 4.42Å; L110-T137 HydrophobicContact CD2-CG2 4.2Å; L110-L143 HydrophobicContact CD2-CD1 4.35Å
111D78.7Confident80.9Confident132 Ų13273.5 Ų73.571%0.70642%0.423SS*.PPolyproline II helixtrans-82.8131.3171.4-161.6-12.5000109.3G113D111-G113 VanDerWaalsContact C-N 3.29Å; D111-G113 PolarHBondContact OD1-N 3.27Å
112S68.2Low81Confident63 Ų6374.8 Ų74.844%0.44143%0.428SS..  trans-74.4-25.1169.757.60000111D114 A115S112-D114 PolarHBondContact O-N 3.26Å; S112-A115 WeakPolarHBondContact O-CA 3.34Å; S112-A115 WeakPolarHBondContact O-CB 3.35Å; S112-A115 PolarHBondContact O-N 2.91Å
113G68.1Low81.3Confident51 Ų5167.3 Ų67.353%0.52640%0.399SS..THydrogen-bonded Turntrans46.1-128.7-172.200000111.3D111 A115D111-G113 VanDerWaalsContact C-N 3.29Å; D111-G113 PolarHBondContact OD1-N 3.27Å; G113-A115 VanDerWaalsContact C-N 3.27Å; G113-A115 PolarHBondContact O-N 3.29Å
114D57.2Low81.5Confident174 Ų17466.7 Ų66.793%0.9339%0.388SS*.THydrogen-bonded Turntrans-82.714.4175.3-66.7-31.1000114.3S112 S116S112-D114 PolarHBondContact O-N 3.26Å; D114-S116 PolarHBondContact O-N 3.03Å
115A61.4Low81.6Confident25 Ų2563.6 Ų63.621%0.20737%0.373CS..  trans-54.3130.4178.200000110S112 G113 W138S112-A115 WeakPolarHBondContact O-CA 3.34Å; S112-A115 WeakPolarHBondContact O-CB 3.35Å; S112-A115 PolarHBondContact O-N 2.91Å; G113-A115 VanDerWaalsContact C-N 3.27Å; G113-A115 PolarHBondContact O-N 3.29Å; A115-W138 HydrophobicContact CB-CH2 3.53Å; A115-W138 HydrophobicContact CB-CZ2 3.84Å; A115-W138 HydrophobicContact CB-CZ3 4.4Å
116S60.2Low81.7Confident57 Ų5762.9 Ų62.940%0.39937%0.368SS..  trans-52.8138.7172.9168.20000108.9D114 V118 Q119D114-S116 PolarHBondContact O-N 3.03Å; S116-V118 PolarHBondContact O-N 3.5Å; S116-V118 PolarHBondContact OG-N 3.27Å; S116-Q119 PolarHBondContact O-N 2.92Å
117P61.4Low81.8Confident138 Ų13861.1 Ų61.190%0.89636%0.362SS*.THydrogen-bonded Turntrans-58.7-6.8177.922.2-32.3000114
118V62.4Low81.8Confident133 Ų13357.5 Ų57.581%0.80635%0.352SS*.THydrogen-bonded Turntrans-90.4-20.2176.4-169.20000112.8S116S116-V118 PolarHBondContact O-N 3.5Å; S116-V118 PolarHBondContact OG-N 3.27Å
119Q68.6Low81.7Confident114 Ų11455.9 Ų55.953%0.53335%0.346SS..SBendtrans-86.6124.1179.9-94.6176.1-30.300111.3S116 V121 W138S116-Q119 PolarHBondContact O-N 2.92Å; Q119-V121 PolarHBondContact O-N 3.37Å; Q119-W138 HydrophobicContact CB-CZ3 4.32Å
120A80.9Confident81.7Confident53 Ų5355.3 Ų55.344%0.43835%0.345SS..PPolyproline II helixtrans-69.6121.1172.600000109.9F122 W138A120-F122 HydrophobicContact CB-CD1 4.13Å; A120-F122 HydrophobicContact CB-CE1 4.42Å; A120-F122 VanDerWaalsContact O-CD1 3.25Å; A120-F122 WeakPolarHBondContact O-CD1 3.3Å; A120-W138 WeakPolarHBondContact O-CB 3.39Å
121V91.9Very high81.8Confident22 Ų2257.8 Ų57.813%0.13336%0.356CS..PPolyproline II helixtrans-78.6127.8168.4173.90000108.4H91 L110 Q119 W138H91-V121 CarbonylContact C-O 3.58Å; H91-V121 WeakPolarHBondContact CA-O 3.43Å; H91-V121 VanDerWaalsContact CB-O 3.31Å; H91-V121 WeakPolarHBondContact CB-O 3.5Å; H91-V121 PolarHBondContact ND1-O 2.61Å; H91-V121 VanDerWaalsContact O-O 3.13Å; L110-V121 HydrophobicContact CB-CG1 3.59Å; L110-V121 HydrophobicContact CD1-CG1 4.02Å; L110-V121 HydrophobicContact CG-CG1 4.45Å; Q119-V121 PolarHBondContact O-N 3.37Å; V121-W138 HydrophobicContact CG2-CZ2 4.25Å
122F94.3Very high82.7Confident28 Ų2851.9 Ų51.912%0.12332%0.324CS..  trans-160.8163.6173.660.7-91.2000112.6T73 A120 R124 W138 P166T73-F122 HydrophobicContact CG2-CB 4.02Å; A120-F122 HydrophobicContact CB-CD1 4.13Å; A120-F122 HydrophobicContact CB-CE1 4.42Å; A120-F122 VanDerWaalsContact O-CD1 3.25Å; A120-F122 WeakPolarHBondContact O-CD1 3.3Å; F122-R124 HydrophobicContact CD2-CG 4.17Å; F122-R124 HydrophobicContact CE2-CG 4.01Å; F122-W138 HydrophobicContact CD1-CB 3.75Å; F122-W138 HydrophobicContact CD2-CB 4.28Å; F122-W138 HydrophobicContact CE1-CB 3.67Å; F122-W138 HydrophobicContact CE2-CB 4.19Å; F122-W138 HydrophobicContact CG-CB 4.06Å; F122-W138 HydrophobicContact CZ-CB 3.91Å; F122-W138 VanDerWaalsContact N-CD1 3.34Å; F122-W138 PolarHBondContact O-N 2.82Å; F122-P166 HydrophobicContact CE2-CB 4.26Å; F122-P166 HydrophobicContact CZ-CB 3.77Å; F122-P166 HydrophobicContact CZ-CG 4.26Å
123A97.1Very high84.1Confident0 Ų048.9 Ų48.90%030%0.303CS..EExtended strand (participates in β ladder)trans-117148.1165.400000110T73 T89 S90 I94 L110 V135 G136T73-A123 WeakPolarHBondContact CB-O 3.4Å; T73-A123 PolarHBondContact OG1-O 2.89Å; T89-A123 VanDerWaalsContact CB-O 3.26Å; T89-A123 WeakPolarHBondContact CB-O 3.32Å; T89-A123 HydrophobicContact CG2-CB 3.98Å; T89-A123 PolarHBondContact OG1-O 2.84Å; S90-A123 PolarHBondContact O-N 2.79Å; I94-A123 HydrophobicContact CD1-CB 4.18Å; I94-A123 HydrophobicContact CG1-CB 3.8Å; L110-A123 HydrophobicContact CD1-CB 3.83Å; L110-A123 HydrophobicContact CD2-CB 4.42Å; A123-V135 HydrophobicContact CB-CG1 3.88Å; A123-G136 CarbonylContact C-O 3.59Å; A123-G136 WeakPolarHBondContact CA-O 3.47Å; A123-G136 WeakPolarHBondContact CB-O 3.48Å
124R97.4Very high85.6Confident65 Ų6546.5 Ų46.525%0.24528%0.278CS..EExtended strand (participates in β ladder)trans-167.6171.7171.767.9-179.5178.7-177.10.5109F122 G136 I167 D189F122-R124 HydrophobicContact CD2-CG 4.17Å; F122-R124 HydrophobicContact CE2-CG 4.01Å; R124-G136 PolarHBondContact N-O 3.32Å; R124-G136 CarbonylContact O-C 3.59Å; R124-G136 VanDerWaalsContact O-C 3.23Å; R124-G136 WeakPolarHBondContact O-CA 3.17Å; R124-G136 PolarHBondContact O-N 2.78Å; R124-I167 VanDerWaalsContact CG-O 3.28Å; R124-I167 WeakPolarHBondContact CG-O 3.33Å; R124-I167 PolarHBondContact NE-O 2.82Å; R124-I167 PolarHBondContact NH2-O 2.84Å; R124-D189 IonicContact CZ-OD1 2.75Å; R124-D189 VanDerWaalsContact NH2-CG 3.33Å; R124-D189 IonicContact NH2-OD1 3.61Å; R124-D189 PolarHBondContact NH2-OD1 3.05Å; R124-D189 IonicContact NH2-OD2 3.89Å; R124-D189 PolarHBondContact NH2-OD2 2.94Å
125G98.2Very high87.5Confident0 Ų038.2 Ų38.20%023%0.234CC..EExtended strand (participates in β ladder)trans73.4103.3-169.900000108.5V135 G136 I170G125-V135 VanDerWaalsContact O-CA 3.31Å; G125-V135 WeakPolarHBondContact O-CA 3.36Å; G125-G136 PolarHBondContact O-N 3.43Å; G125-I170 WeakPolarHBondContact O-CD1 3.2Å
126I98.7Very high89.3Confident4 Ų437 Ų372%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-126.9124.7-174.4-57.6164.3000107.5Q74 H76 C78 V87 T89 I133 C134Q74-I126 HydrophobicContact CB-CD1 3.95Å; Q74-I126 HydrophobicContact CG-CD1 3.95Å; H76-I126 HydrophobicContact CB-CB 4.01Å; H76-I126 HydrophobicContact CB-CD1 3.81Å; H76-I126 HydrophobicContact CB-CG2 4.07Å; C78-I126 VanDerWaalsContact SG-CG2 3.51Å; V87-I126 HydrophobicContact CB-CD1 4.13Å; V87-I126 HydrophobicContact CB-CG2 3.92Å; V87-I126 HydrophobicContact CG1-CD1 3.92Å; V87-I126 HydrophobicContact CG1-CG1 4.28Å; V87-I126 HydrophobicContact CG1-CG2 4.05Å; V87-I126 HydrophobicContact CG2-CG2 4.14Å; T89-I126 HydrophobicContact CG2-CD1 3.73Å; T89-I126 HydrophobicContact CG2-CG1 3.88Å; I126-I133 HydrophobicContact CG2-CG2 4.49Å; I126-C134 WeakPolarHBondContact CA-O 2.98Å
127A97.9Very high91.1Very high5 Ų534.5 Ų34.54%0.04121%0.206CC..EExtended strand (participates in β ladder)trans-142.4157.3173.400000111.7I133 C134 I170 T172A127-I133 WeakPolarHBondContact O-CA 3.28Å; A127-C134 PolarHBondContact N-O 2.61Å; A127-C134 PolarHBondContact O-N 3.07Å; A127-I170 HydrophobicContact CB-CB 3.98Å; A127-I170 HydrophobicContact CB-CG2 3.61Å; A127-T172 HydrophobicContact CB-CG2 3.75Å
128A96Very high92.7Very high19 Ų1929.7 Ų29.716%0.15717%0.171CC..EExtended strand (participates in β ladder)trans-109.3129.2172.900000109.7C78 L80 F132 T172C78-A128 HydrophobicContact CB-CB 3.91Å; L80-A128 HydrophobicContact CD2-CB 3.99Å; A128-F132 WeakPolarHBondContact CA-O 3.27Å; A128-T172 WeakPolarHBondContact O-CB 3.38Å; A128-T172 WeakPolarHBondContact O-CG2 3.29Å; A128-T172 PolarHBondContact O-OG1 2.62Å
129S93.6Very high94.2Very high8 Ų825.8 Ų25.86%0.05615%0.149CC..EExtended strand (participates in β ladder)trans-129.1113.1173.2-169.70000109.4H131 F132 S198S129-H131 PolarHBondContact O-N 2.77Å; S129-H131 VanDerWaalsContact O-N 3.14Å; S129-F132 PolarHBondContact N-O 3.33Å; S129-F132 WeakPolarHBondContact O-CB 3.36Å; S129-F132 PolarHBondContact O-N 3.06Å; S129-S198 WeakPolarHBondContact OG-CB 3.3Å; S129-S198 PolarHBondContact OG-OG 2.91Å
130G91.4Very high95.5Very high45 Ų4520.4 Ų20.446%0.46412%0.124SC..THydrogen-bonded Turntrans56.7-118.6-172.600000111.8L80 P81L80-G130 WeakPolarHBondContact CD2-O 3.44Å; P81-G130 WeakPolarHBondContact CD-O 3.19Å
131H93.9Very high96.3Very high77 Ų7721.7 Ų21.736%0.35612%0.117SC..THydrogen-bonded Turntrans-97.26.9177.460.9-79.3000113.3F82 S129 D146 I147F82-H131 HydrophobicContact CE1-CB 3.61Å; F82-H131 HydrophobicContact CZ-CB 3.66Å; S129-H131 PolarHBondContact O-N 2.77Å; S129-H131 VanDerWaalsContact O-N 3.14Å; H131-D146 IonicContact CD2-OD1 3.31Å; H131-D146 PolarHBondContact CD2-OD1 2.84Å; H131-D146 VanDerWaalsContact CD2-OD1 3.31Å; H131-I147 VanDerWaalsContact O-CB 3.26Å; H131-I147 WeakPolarHBondContact O-CB 3.29Å; H131-I147 WeakPolarHBondContact O-CG1 3.3Å; H131-I147 PolarHBondContact O-N 2.82Å
132F97Very high96.6Very high9 Ų920.7 Ų20.74%0.03911%0.111CC..EExtended strand (participates in β ladder)trans-100.1147.2179.7-57.8-73.4000112.2A128 S129 V144 F145 D146 F202A128-F132 WeakPolarHBondContact CA-O 3.27Å; S129-F132 PolarHBondContact N-O 3.33Å; S129-F132 WeakPolarHBondContact O-CB 3.36Å; S129-F132 PolarHBondContact O-N 3.06Å; F132-V144 HydrophobicContact CB-CG1 3.91Å; F132-V144 HydrophobicContact CD1-CG1 3.71Å; F132-V144 HydrophobicContact CE1-CG1 4.42Å; F132-V144 HydrophobicContact CG-CG1 3.91Å; F132-F145 CarbonylContact C-O 3.6Å; F132-F145 VanDerWaalsContact CA-O 3.23Å; F132-F145 WeakPolarHBondContact CA-O 3.38Å; F132-D146 HydrophobicContact CD1-CB 4.2Å; F132-D146 HydrophobicContact CE1-CB 4Å; F132-F202 HydrophobicContact CB-CE2 4.3Å; F132-F202 HydrophobicContact CB-CZ 4.27Å; F132-F202 AromaticContact CD2-CE2 3.65Å; F132-F202 HydrophobicContact CD2-CE2 3.65Å; F132-F202 HydrophobicContact CD2-CZ 4Å; F132-F202 HydrophobicContact CE2-CE2 4.03Å; F132-F202 AromaticContact CG-CE2 3.93Å; F132-F202 HydrophobicContact CG-CE2 3.93Å; F132-F202 HydrophobicContact CG-CZ 4.31Å
133I98.4Very high96.8Very high0 Ų019.9 Ų19.90%011%0.108CC..EExtended strand (participates in β ladder)trans-109.1126.5161.3-70.2174.5000107.9C78 L80 L85 V87 M96 I126 A127 V135 F145 I147C78-I133 HydrophobicContact CB-CD1 3.64Å; C78-I133 HydrophobicContact CB-CG1 3.82Å; L80-I133 HydrophobicContact CD1-CD1 4.22Å; L80-I133 HydrophobicContact CD1-CG1 4.38Å; L80-I133 HydrophobicContact CD2-CG1 4.19Å; L85-I133 HydrophobicContact CB-CD1 4.12Å; L85-I133 HydrophobicContact CD1-CD1 3.91Å; V87-I133 HydrophobicContact CG2-CD1 3.9Å; V87-I133 HydrophobicContact CG2-CG2 4.07Å; M96-I133 HydrophobicContact CE-CB 4.33Å; M96-I133 HydrophobicContact CE-CG2 4.05Å; M96-I133 HydrophobicContact SD-CD1 4.26Å; I126-I133 HydrophobicContact CG2-CG2 4.49Å; A127-I133 WeakPolarHBondContact O-CA 3.28Å; I133-V135 HydrophobicContact CG2-CG2 3.97Å; I133-F145 PolarHBondContact N-O 3Å; I133-F145 WeakPolarHBondContact O-CD2 3.44Å; I133-F145 PolarHBondContact O-N 3.18Å; I133-I147 HydrophobicContact CB-CD1 4.18Å; I133-I147 HydrophobicContact CB-CG1 4.19Å; I133-I147 HydrophobicContact CD1-CD1 3.9Å; I133-I147 HydrophobicContact CD1-CG1 3.84Å; I133-I147 HydrophobicContact CG1-CD1 4.11Å; I133-I147 HydrophobicContact CG1-CG1 3.76Å
134C98.7Very high96.9Very high0 Ų019.9 Ų19.90%011%0.108CC..EExtended strand (participates in β ladder)trans-105.6132.4177.7-60.30000109.4I126 A127 V142 L143 I170 M184I126-C134 WeakPolarHBondContact CA-O 2.98Å; A127-C134 PolarHBondContact N-O 2.61Å; A127-C134 PolarHBondContact O-N 3.07Å; C134-V142 HydrophobicContact CB-CG1 3.93Å; C134-L143 CarbonylContact C-O 3.59Å; C134-L143 WeakPolarHBondContact CA-O 3.22Å; C134-I170 HydrophobicContact CB-CD1 4.35Å; C134-M184 HydrophobicContact CB-SD 3.94Å; C134-M184 VanDerWaalsContact SG-SD 3.61Å
135V98.8Very high96.9Very high0 Ų016.8 Ų16.80%010%0.096CC..EExtended strand (participates in β ladder)trans-132.2126.1179.3-174.70000110.8V87 T89 I94 A123 G125 I133 V142 L143 F145V87-V135 HydrophobicContact CG1-CG2 4.4Å; T89-V135 HydrophobicContact CG2-CG1 3.63Å; I94-V135 HydrophobicContact CD1-CB 3.78Å; I94-V135 HydrophobicContact CD1-CG1 3.58Å; I94-V135 HydrophobicContact CD1-CG2 4.25Å; I94-V135 HydrophobicContact CG1-CG1 3.98Å; I94-V135 HydrophobicContact CG2-CG2 4.14Å; A123-V135 HydrophobicContact CB-CG1 3.88Å; G125-V135 VanDerWaalsContact O-CA 3.31Å; G125-V135 WeakPolarHBondContact O-CA 3.36Å; I133-V135 HydrophobicContact CG2-CG2 3.97Å; V135-V142 CarbonylContact O-C 3.53Å; V135-V142 WeakPolarHBondContact O-CA 3.39Å; V135-L143 PolarHBondContact N-O 3.19Å; V135-L143 PolarHBondContact O-N 2.98Å; V135-F145 HydrophobicContact CB-CE2 4.29Å; V135-F145 HydrophobicContact CG2-CD2 4.39Å; V135-F145 HydrophobicContact CG2-CE2 4.12Å
136G98.5Very high96.9Very high0 Ų019.4 Ų19.40%011%0.11CC..EExtended strand (participates in β ladder)trans-78.2155.4176.700000113.4A123 R124 G125A123-G136 CarbonylContact C-O 3.59Å; A123-G136 WeakPolarHBondContact CA-O 3.47Å; A123-G136 WeakPolarHBondContact CB-O 3.48Å; R124-G136 PolarHBondContact N-O 3.32Å; R124-G136 CarbonylContact O-C 3.59Å; R124-G136 VanDerWaalsContact O-C 3.23Å; R124-G136 WeakPolarHBondContact O-CA 3.17Å; R124-G136 PolarHBondContact O-N 2.78Å; G125-G136 PolarHBondContact O-N 3.43Å
137T97.7Very high96.8Very high4 Ų419.2 Ų19.23%0.02511%0.11CC..EExtended strand (participates in β ladder)trans-126.9162.4-178.966.20000112L110 S139 G140 R141 L143 I167L110-T137 HydrophobicContact CD2-CG2 4.2Å; T137-S139 PolarHBondContact O-N 2.84Å; T137-S139 PolarHBondContact OG1-OG 2.77Å; T137-G140 PolarHBondContact O-N 2.87Å; T137-R141 PolarHBondContact N-O 2.87Å; T137-R141 WeakPolarHBondContact OG1-CA 3.5Å; T137-R141 WeakPolarHBondContact OG1-CB 3.24Å; T137-R141 PolarHBondContact OG1-N 3.1Å; T137-R141 VanDerWaalsContact OG1-N 3.13Å; T137-R141 PolarHBondContact OG1-O 3.32Å; T137-L143 HydrophobicContact CG2-CD1 3.9Å; T137-L143 HydrophobicContact CG2-CG 3.83Å; T137-I167 PolarHBondContact O-N 2.92Å; T137-I167 VanDerWaalsContact O-N 3.1Å
138W95.5Very high96.7Very high38 Ų3820.5 Ų20.514%0.14412%0.117CC..THydrogen-bonded Turntrans-58.3-25.6174.470.2-86.1000114A115 Q119 A120 V121 F122 G140 P166A115-W138 HydrophobicContact CB-CH2 3.53Å; A115-W138 HydrophobicContact CB-CZ2 3.84Å; A115-W138 HydrophobicContact CB-CZ3 4.4Å; Q119-W138 HydrophobicContact CB-CZ3 4.32Å; A120-W138 WeakPolarHBondContact O-CB 3.39Å; V121-W138 HydrophobicContact CG2-CZ2 4.25Å; F122-W138 HydrophobicContact CD1-CB 3.75Å; F122-W138 HydrophobicContact CD2-CB 4.28Å; F122-W138 HydrophobicContact CE1-CB 3.67Å; F122-W138 HydrophobicContact CE2-CB 4.19Å; F122-W138 HydrophobicContact CG-CB 4.06Å; F122-W138 HydrophobicContact CZ-CB 3.91Å; F122-W138 VanDerWaalsContact N-CD1 3.34Å; F122-W138 PolarHBondContact O-N 2.82Å; W138-G140 VanDerWaalsContact C-N 3.31Å; W138-P166 WeakPolarHBondContact O-CA 3.26Å; W138-P166 VanDerWaalsContact O-CG 3.24Å; W138-P166 WeakPolarHBondContact O-CG 3.33Å
139S94.1Very high96.6Very high51 Ų5122.2 Ų22.236%0.35713%0.132SC..THydrogen-bonded Turntrans-87.43.3-179.259.30000113.6T137 R141T137-S139 PolarHBondContact O-N 2.84Å; T137-S139 PolarHBondContact OG1-OG 2.77Å; S139-R141 VanDerWaalsContact C-N 3.3Å; S139-R141 WeakPolarHBondContact OG-CG 3.48Å
140G95.8Very high96.5Very high0 Ų030.5 Ų30.50%017%0.167CC..SBendtrans80.710.5-176.200000114.3T137 W138 H163 T165T137-G140 PolarHBondContact O-N 2.87Å; W138-G140 VanDerWaalsContact C-N 3.31Å; G140-H163 WeakPolarHBondContact O-CB 3.47Å; G140-H163 PolarHBondContact O-N 2.9Å; G140-T165 WeakPolarHBondContact CA-O 3.38Å
141R97.4Very high96.3Very high81 Ų8130 Ų3031%0.30616%0.162SC..  trans-86.9149.6172.5-56.4-63.2-153.3-142-0.4111T137 S139 E159 L160T137-R141 PolarHBondContact N-O 2.87Å; T137-R141 WeakPolarHBondContact OG1-CA 3.5Å; T137-R141 WeakPolarHBondContact OG1-CB 3.24Å; T137-R141 PolarHBondContact OG1-N 3.1Å; T137-R141 VanDerWaalsContact OG1-N 3.13Å; T137-R141 PolarHBondContact OG1-O 3.32Å; S139-R141 VanDerWaalsContact C-N 3.3Å; S139-R141 WeakPolarHBondContact OG-CG 3.48Å; R141-E159 HydrophobicContact CB-CG 3.93Å; R141-E159 WeakPolarHBondContact CD-OE1 3.3Å; R141-E159 HydrophobicContact CG-CG 4.15Å; R141-E159 WeakPolarHBondContact CG-OE1 3.47Å; R141-E159 IonicContact CZ-OE1 3.76Å; R141-E159 IonicContact NE-OE1 3.98Å; R141-E159 PolarHBondContact NE-OE1 3.19Å; R141-L160 WeakPolarHBondContact CA-O 3.3Å
142V98.6Very high96.1Very high1 Ų130.1 Ų30.11%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-114.5117.5168.61800000108.3C134 V135 E159 L160 I167 I170 T186C134-V142 HydrophobicContact CB-CG1 3.93Å; V135-V142 CarbonylContact O-C 3.53Å; V135-V142 WeakPolarHBondContact O-CA 3.39Å; V142-E159 WeakPolarHBondContact O-CA 3.47Å; V142-L160 HydrophobicContact CB-CB 4.1Å; V142-L160 HydrophobicContact CB-CD1 4.31Å; V142-L160 HydrophobicContact CB-CG 4.35Å; V142-L160 HydrophobicContact CG1-CD1 4.32Å; V142-L160 PolarHBondContact N-O 2.76Å; V142-L160 VanDerWaalsContact N-O 3.14Å; V142-L160 PolarHBondContact O-N 3.15Å; V142-I167 HydrophobicContact CG2-CD1 3.99Å; V142-I167 HydrophobicContact CG2-CG1 4.04Å; V142-I170 HydrophobicContact CG1-CD1 3.74Å; V142-I170 HydrophobicContact CG2-CD1 4.14Å; V142-T186 HydrophobicContact CG2-CG2 3.89Å
143L98.6Very high96Very high10 Ų1035.9 Ų35.95%0.05220%0.2CC..EExtended strand (participates in β ladder)trans-85.2126.5176.1-58.1-178.7000109I94 L110 C134 V135 T137 F145 L156 E159I94-L143 HydrophobicContact CD1-CD1 3.83Å; L110-L143 HydrophobicContact CD2-CD1 4.35Å; C134-L143 CarbonylContact C-O 3.59Å; C134-L143 WeakPolarHBondContact CA-O 3.22Å; V135-L143 PolarHBondContact N-O 3.19Å; V135-L143 PolarHBondContact O-N 2.98Å; T137-L143 HydrophobicContact CG2-CD1 3.9Å; T137-L143 HydrophobicContact CG2-CG 3.83Å; L143-F145 HydrophobicContact CB-CE2 3.64Å; L143-F145 HydrophobicContact CB-CZ 3.83Å; L143-F145 HydrophobicContact CD1-CZ 4.12Å; L143-L156 HydrophobicContact CB-CD1 3.83Å; L143-L156 HydrophobicContact CD2-CD1 4.13Å; L143-L156 HydrophobicContact CG-CD1 4.47Å; L143-E159 HydrophobicContact CD2-CB 4.32Å; L143-E159 HydrophobicContact CD2-CG 3.98Å
144V98.6Very high96Very high0 Ų036.2 Ų36.20%020%0.202CC..EExtended strand (participates in β ladder)trans-109.7117.4-178.9-177.80000108.9F132 S157 E158 L160 F202F132-V144 HydrophobicContact CB-CG1 3.91Å; F132-V144 HydrophobicContact CD1-CG1 3.71Å; F132-V144 HydrophobicContact CE1-CG1 4.42Å; F132-V144 HydrophobicContact CG-CG1 3.91Å; V144-S157 PolarHBondContact O-N 2.73Å; V144-E158 HydrophobicContact CB-CB 4.11Å; V144-E158 HydrophobicContact CG2-CB 4.31Å; V144-E158 PolarHBondContact N-O 3.23Å; V144-E158 PolarHBondContact O-N 3.2Å; V144-L160 HydrophobicContact CG2-CD1 3.81Å; V144-L160 HydrophobicContact CG2-CD2 4.13Å; V144-L160 HydrophobicContact CG2-CG 3.75Å; V144-F202 HydrophobicContact CG1-CD2 3.97Å; V144-F202 HydrophobicContact CG1-CE2 3.5Å; V144-F202 VanDerWaalsContact CG1-CE2 3.5Å; V144-F202 HydrophobicContact CG1-CZ 4.17Å; V144-F202 HydrophobicContact CG2-CD2 4.27Å; V144-F202 HydrophobicContact CG2-CE2 4.35Å
145F98.4Very high95.9Very high0 Ų039.9 Ų39.90%022%0.224CC..EExtended strand (participates in β ladder)trans-105.4123.8-179.4-59.6-85.1000110.5I94 M96 Y106 H108 F132 I133 V135 L143 I147 I154 V155 L156I94-F145 HydrophobicContact CD1-CE2 3.85Å; I94-F145 HydrophobicContact CD1-CZ 3.84Å; M96-F145 HydrophobicContact CE-CB 3.84Å; M96-F145 HydrophobicContact CE-CD1 4.15Å; M96-F145 HydrophobicContact CE-CD2 3.51Å; M96-F145 HydrophobicContact CE-CE2 4.09Å; M96-F145 HydrophobicContact CE-CG 3.55Å; Y106-F145 AromaticContact CE1-CD1 3.68Å; Y106-F145 HydrophobicContact CE1-CD1 3.68Å; Y106-F145 AromaticContact CE1-CE1 3.55Å; Y106-F145 HydrophobicContact CE1-CE1 3.55Å; Y106-F145 HydrophobicContact CE1-CZ 4.43Å; Y106-F145 AromaticContact CZ-CE1 3.97Å; H108-F145 HydrophobicContact CB-CE1 4.13Å; H108-F145 HydrophobicContact CB-CZ 4.16Å; H108-F145 AromaticContact ND1-CE1 3.95Å; F132-F145 CarbonylContact C-O 3.6Å; F132-F145 VanDerWaalsContact CA-O 3.23Å; F132-F145 WeakPolarHBondContact CA-O 3.38Å; I133-F145 PolarHBondContact N-O 3Å; I133-F145 WeakPolarHBondContact O-CD2 3.44Å; I133-F145 PolarHBondContact O-N 3.18Å; V135-F145 HydrophobicContact CB-CE2 4.29Å; V135-F145 HydrophobicContact CG2-CD2 4.39Å; V135-F145 HydrophobicContact CG2-CE2 4.12Å; L143-F145 HydrophobicContact CB-CE2 3.64Å; L143-F145 HydrophobicContact CB-CZ 3.83Å; L143-F145 HydrophobicContact CD1-CZ 4.12Å; F145-I147 HydrophobicContact CB-CD1 3.91Å; F145-I147 PolarHBondContact O-N 3.01Å; F145-I154 HydrophobicContact CB-CG2 4.05Å; F145-I154 HydrophobicContact CD1-CG2 4.34Å; F145-V155 CarbonylContact C-O 3.49Å; F145-V155 VanDerWaalsContact CA-O 3.27Å; F145-V155 WeakPolarHBondContact CA-O 3.33Å; F145-L156 HydrophobicContact CD1-CB 4.23Å; F145-L156 HydrophobicContact CD1-CD1 4.19Å; F145-L156 HydrophobicContact CE1-CB 4.1Å; F145-L156 HydrophobicContact CE1-CD1 3.86Å; F145-L156 HydrophobicContact CZ-CD1 4.1Å
146D97.1Very high95.9Very high55 Ų5543.1 Ų43.129%0.29424%0.241SC..EExtended strand (participates in β ladder)trans-75121169.1178.6-0.2000108.8H131 F132 I154 V155H131-D146 IonicContact CD2-OD1 3.31Å; H131-D146 PolarHBondContact CD2-OD1 2.84Å; H131-D146 VanDerWaalsContact CD2-OD1 3.31Å; F132-D146 HydrophobicContact CD1-CB 4.2Å; F132-D146 HydrophobicContact CE1-CB 4Å; D146-I154 WeakPolarHBondContact O-CA 3.28Å; D146-V155 HydrophobicContact CB-CG2 3.85Å; D146-V155 PolarHBondContact N-O 3.22Å; D146-V155 PolarHBondContact O-N 2.67Å
147I97.3Very high95.8Very high1 Ų145.8 Ų45.81%0.00526%0.26CS..  trans-104.1118.2-178.1-47.7-55.7000109.6L80 F82 L85 M96 H131 I133 F145 I154L80-I147 HydrophobicContact CD1-CB 3.77Å; L80-I147 HydrophobicContact CD1-CG1 3.91Å; L80-I147 HydrophobicContact CD1-CG2 3.55Å; F82-I147 HydrophobicContact CE2-CG2 4.23Å; F82-I147 WeakPolarHBondContact CE2-O 3.45Å; F82-I147 WeakPolarHBondContact CZ-O 3.3Å; L85-I147 HydrophobicContact CD1-CD1 4.32Å; L85-I147 HydrophobicContact CD1-CG2 3.6Å; M96-I147 HydrophobicContact CE-CD1 4.4Å; M96-I147 HydrophobicContact SD-CD1 3.92Å; H131-I147 VanDerWaalsContact O-CB 3.26Å; H131-I147 WeakPolarHBondContact O-CB 3.29Å; H131-I147 WeakPolarHBondContact O-CG1 3.3Å; H131-I147 PolarHBondContact O-N 2.82Å; I133-I147 HydrophobicContact CB-CD1 4.18Å; I133-I147 HydrophobicContact CB-CG1 4.19Å; I133-I147 HydrophobicContact CD1-CD1 3.9Å; I133-I147 HydrophobicContact CD1-CG1 3.84Å; I133-I147 HydrophobicContact CG1-CD1 4.11Å; I133-I147 HydrophobicContact CG1-CG1 3.76Å; F145-I147 HydrophobicContact CB-CD1 3.91Å; F145-I147 PolarHBondContact O-N 3.01Å; I147-I154 HydrophobicContact CD1-CB 4.39Å; I147-I154 HydrophobicContact CD1-CD1 4.14Å; I147-I154 HydrophobicContact CD1-CG1 3.87Å; I147-I154 HydrophobicContact CD1-CG2 3.67Å; I147-I154 HydrophobicContact CG2-CG1 4.33Å
148P96.2Very high95.8Very high31 Ų3147.4 Ų47.420%0.20127%0.267CS..  trans-73156.5176.231.8-36.5000111.4F82 R83 K150 N153 I154F82-P148 WeakPolarHBondContact CE2-O 3.47Å; R83-P148 WeakPolarHBondContact CD-O 3.4Å; P148-K150 PolarHBondContact O-N 2.84Å; P148-K150 VanDerWaalsContact O-N 3.1Å; P148-N153 HydrophobicContact CG-CB 4.38Å; P148-I154 HydrophobicContact CG-CG1 4.45Å
149A94.2Very high95.9Very high56 Ų5650.7 Ų50.746%0.46328%0.284SS..SBendtrans-50.9-38.617600000113.5F82F82-A149 HydrophobicContact CB-CB 4.3Å; F82-A149 HydrophobicContact CD1-CB 4.45Å; F82-A149 HydrophobicContact CD2-CB 4.24Å; F82-A149 HydrophobicContact CG-CB 4.06Å
150K89.6Confident96.1Very high182 Ų18248.7 Ų48.779%0.79127%0.269SS*.SBendtrans-148.3160.8179.9-64.3-177.1-178.4175.10110.4P148P148-K150 PolarHBondContact O-N 2.84Å; P148-K150 VanDerWaalsContact O-N 3.1Å
151G87.1Confident96.1Very high35 Ų3551.4 Ų51.436%0.36129%0.292SS..SBendtrans81.5-177174.900000113.9R83R83-G151 PolarHBondContact NH1-O 3.32Å
152P91.7Very high95.9Very high79 Ų7947.6 Ų47.651%0.51328%0.278SS..SBendtrans-98.98.3-17338.6-35.8000114.2V105 I154V105-P152 WeakPolarHBondContact O-CB 3.2Å; P152-I154 PolarHBondContact O-N 2.84Å
153N94.8Very high95.8Very high129 Ų12947.5 Ų47.569%0.6928%0.277SS*.  trans-76.950.3-175.7-65.1-7.5000112.3P148P148-N153 HydrophobicContact CG-CB 4.38Å
154I97.3Very high95.6Very high8 Ų854.7 Ų54.74%0.04131%0.311CS..  trans-77133.1173.3-68.3161.4000107.8L85 M96 V105 Y106 F145 D146 I147 P148 P152L85-I154 HydrophobicContact CD1-CD1 3.97Å; M96-I154 HydrophobicContact SD-CD1 3.95Å; M96-I154 HydrophobicContact SD-CG2 4.08Å; V105-I154 HydrophobicContact CG2-CD1 3.84Å; Y106-I154 HydrophobicContact CD1-CB 4.46Å; Y106-I154 HydrophobicContact CD1-CG2 3.86Å; Y106-I154 HydrophobicContact CD2-CB 3.64Å; Y106-I154 HydrophobicContact CD2-CG2 3.81Å; Y106-I154 WeakPolarHBondContact CD2-O 3.28Å; Y106-I154 HydrophobicContact CE1-CG2 4.07Å; Y106-I154 HydrophobicContact CE2-CB 4.18Å; Y106-I154 HydrophobicContact CE2-CG2 4.04Å; Y106-I154 WeakPolarHBondContact CE2-O 3.42Å; Y106-I154 HydrophobicContact CG-CB 3.8Å; Y106-I154 HydrophobicContact CG-CD1 4.32Å; Y106-I154 HydrophobicContact CG-CG2 3.72Å; F145-I154 HydrophobicContact CB-CG2 4.05Å; F145-I154 HydrophobicContact CD1-CG2 4.34Å; D146-I154 WeakPolarHBondContact O-CA 3.28Å; I147-I154 HydrophobicContact CD1-CB 4.39Å; I147-I154 HydrophobicContact CD1-CD1 4.14Å; I147-I154 HydrophobicContact CD1-CG1 3.87Å; I147-I154 HydrophobicContact CD1-CG2 3.67Å; I147-I154 HydrophobicContact CG2-CG1 4.33Å; P148-I154 HydrophobicContact CG-CG1 4.45Å; P152-I154 PolarHBondContact O-N 2.84Å
155V97.1Very high95.5Very high76 Ų7656.6 Ų56.646%0.46132%0.322SS..EExtended strand (participates in β ladder)trans-127.5144.4-179.5-62.60000110.6F145 D146 S157F145-V155 CarbonylContact C-O 3.49Å; F145-V155 VanDerWaalsContact CA-O 3.27Å; F145-V155 WeakPolarHBondContact CA-O 3.33Å; D146-V155 HydrophobicContact CB-CG2 3.85Å; D146-V155 PolarHBondContact N-O 3.22Å; D146-V155 PolarHBondContact O-N 2.67Å; V155-S157 PolarHBondContact O-N 3.19Å
156L97.6Very high95.4Very high69 Ų6958 Ų5836%0.36133%0.331SS..EExtended strand (participates in β ladder)trans-71.9111.6167.2177.767.2000107.4L143 F145L143-L156 HydrophobicContact CB-CD1 3.83Å; L143-L156 HydrophobicContact CD2-CD1 4.13Å; L143-L156 HydrophobicContact CG-CD1 4.47Å; F145-L156 HydrophobicContact CD1-CB 4.23Å; F145-L156 HydrophobicContact CD1-CD1 4.19Å; F145-L156 HydrophobicContact CE1-CB 4.1Å; F145-L156 HydrophobicContact CE1-CD1 3.86Å; F145-L156 HydrophobicContact CZ-CD1 4.1Å
157S97.1Very high95.5Very high56 Ų5655.4 Ų55.439%0.39232%0.317SS..EExtended strand (participates in β ladder)trans-84.9-50-177.7-169.50000111.2V144 V155V144-S157 PolarHBondContact O-N 2.73Å; V155-S157 PolarHBondContact O-N 3.19Å
158E97.2Very high95.5Very high38 Ų3855.8 Ų55.818%0.17832%0.32CS..EExtended strand (participates in β ladder)trans-144.4157.4-173.9-70.4172.6-121.800112.2V144 L160 E201 F202V144-E158 HydrophobicContact CB-CB 4.11Å; V144-E158 HydrophobicContact CG2-CB 4.31Å; V144-E158 PolarHBondContact N-O 3.23Å; V144-E158 PolarHBondContact O-N 3.2Å; E158-L160 HydrophobicContact CB-CD2 4.13Å; E158-E201 VanDerWaalsContact OE1-CA 3.26Å; E158-E201 WeakPolarHBondContact OE1-CA 3.47Å; E158-F202 PolarHBondContact OE1-N 2.87Å; E158-F202 PolarHBondContact OE2-N 3.26Å; E158-F202 VanDerWaalsContact OE2-N 3.11Å
159E97.5Very high95.6Very high107 Ų10754.4 Ų54.450%0.531%0.311SS..EExtended strand (participates in β ladder)trans-121.6109.2167.7-178.3-176.814300109.2R141 V142 L143R141-E159 HydrophobicContact CB-CG 3.93Å; R141-E159 WeakPolarHBondContact CD-OE1 3.3Å; R141-E159 HydrophobicContact CG-CG 4.15Å; R141-E159 WeakPolarHBondContact CG-OE1 3.47Å; R141-E159 IonicContact CZ-OE1 3.76Å; R141-E159 IonicContact NE-OE1 3.98Å; R141-E159 PolarHBondContact NE-OE1 3.19Å; V142-E159 WeakPolarHBondContact O-CA 3.47Å; L143-E159 HydrophobicContact CD2-CB 4.32Å; L143-E159 HydrophobicContact CD2-CG 3.98Å
160L98.3Very high95.8Very high8 Ų852 Ų524%0.04229%0.29CS..EExtended strand (participates in β ladder)trans-84.1123.5-176.6-43.8-179.9000110.8R141 V142 V144 E158 G162 M184 W196 F202R141-L160 WeakPolarHBondContact CA-O 3.3Å; V142-L160 HydrophobicContact CB-CB 4.1Å; V142-L160 HydrophobicContact CB-CD1 4.31Å; V142-L160 HydrophobicContact CB-CG 4.35Å; V142-L160 HydrophobicContact CG1-CD1 4.32Å; V142-L160 PolarHBondContact N-O 2.76Å; V142-L160 VanDerWaalsContact N-O 3.14Å; V142-L160 PolarHBondContact O-N 3.15Å; V144-L160 HydrophobicContact CG2-CD1 3.81Å; V144-L160 HydrophobicContact CG2-CD2 4.13Å; V144-L160 HydrophobicContact CG2-CG 3.75Å; E158-L160 HydrophobicContact CB-CD2 4.13Å; L160-G162 PolarHBondContact O-N 3.47Å; L160-M184 HydrophobicContact CD1-CE 3.73Å; L160-W196 HydrophobicContact CB-CH2 3.74Å; L160-W196 HydrophobicContact CB-CZ2 4.3Å; L160-W196 HydrophobicContact CB-CZ3 3.91Å; L160-W196 HydrophobicContact CD1-CD2 4.22Å; L160-W196 HydrophobicContact CD1-CE3 4.02Å; L160-W196 HydrophobicContact CD1-CH2 4.45Å; L160-W196 HydrophobicContact CD1-CZ3 4.13Å; L160-W196 HydrophobicContact CG-CZ3 4.42Å; L160-F202 HydrophobicContact CD1-CB 3.86Å; L160-F202 HydrophobicContact CD1-CD1 4.04Å; L160-F202 HydrophobicContact CD1-CG 4.02Å; L160-F202 HydrophobicContact CD2-CB 3.61Å; L160-F202 HydrophobicContact CD2-CG 4.36Å; L160-F202 HydrophobicContact CG-CB 4.39Å
161A96.3Very high96.2Very high57 Ų5743.6 Ų43.647%0.47125%0.254SS..  trans-96.458.8-178.300000112.1
162G94.1Very high96.7Very high1 Ų143.2 Ų43.21%0.0125%0.245CC..  trans-81.3-54.2178.800000112.7L160 R207L160-G162 PolarHBondContact O-N 3.47Å; G162-R207 VanDerWaalsContact O-CZ 3.23Å; G162-R207 PolarHBondContact O-NH1 2.98Å; G162-R207 PolarHBondContact O-NH2 2.67Å
163H96.8Very high96.6Very high0 Ų040.8 Ų40.80%023%0.227CC..  trans-105.4161.5-163.5-60.6-99.4000112.2G140 I167 T186 D188 L192 C194G140-H163 WeakPolarHBondContact O-CB 3.47Å; G140-H163 PolarHBondContact O-N 2.9Å; H163-I167 HydrophobicContact CB-CD1 3.77Å; H163-I167 WeakPolarHBondContact CD2-CD1 3.18Å; H163-T186 PolarHBondContact CE1-O 2.93Å; H163-T186 PolarHBondContact NE2-O 3.16Å; H163-T186 PolarHBondContact NE2-OG1 3.01Å; H163-D188 HydrophobicContact CB-CB 4.17Å; H163-D188 WeakPolarHBondContact CB-OD2 3.33Å; H163-D188 IonicContact CE1-OD2 3.05Å; H163-D188 IonicContact CG-OD2 3.66Å; H163-D188 WeakPolarHBondContact ND1-CB 3.46Å; H163-D188 VanDerWaalsContact ND1-CG 3.26Å; H163-D188 IonicContact ND1-OD2 3.47Å; H163-D188 PolarHBondContact ND1-OD2 2.84Å; H163-L192 PolarHBondContact CE1-O 2.94Å; H163-C194 VanDerWaalsContact CE1-SG 3.55Å; H163-C194 WeakPolarHBondContact NE2-CB 3.38Å; H163-C194 PolarHBondContact NE2-SG 3.44Å; H163-C194 VanDerWaalsContact NE2-SG 3.36Å
164Q94.5Very high95.9Very high161 Ų16136.6 Ų36.675%0.75221%0.207SC*.SBendtrans-111.8-5.2173.9-59.3-59.4-40.900111.9
165T95.2Very high94.2Very high39 Ų3941.5 Ų41.524%0.23925%0.249CC..SBendtrans-127.3161.2178.668.70000109.3G140 I167 D188 S190G140-T165 WeakPolarHBondContact CA-O 3.38Å; T165-I167 PolarHBondContact O-N 2.85Å; T165-D188 VanDerWaalsContact OG1-CB 3.3Å; T165-D188 WeakPolarHBondContact OG1-CB 3.39Å; T165-D188 PolarHBondContact OG1-OD1 3Å; T165-D188 PolarHBondContact OG1-OD2 2.71Å; T165-S190 PolarHBondContact OG1-N 2.67Å
166P96.8Very high92.1Very high30 Ų3046.1 Ų46.120%0.19527%0.265CS..  trans-52.9134.7-176.4-24.730.5000112.9F122 W138 T168 D188 D189F122-P166 HydrophobicContact CE2-CB 4.26Å; F122-P166 HydrophobicContact CZ-CB 3.77Å; F122-P166 HydrophobicContact CZ-CG 4.26Å; W138-P166 WeakPolarHBondContact O-CA 3.26Å; W138-P166 VanDerWaalsContact O-CG 3.24Å; W138-P166 WeakPolarHBondContact O-CG 3.33Å; P166-T168 PolarHBondContact O-N 3.31Å; P166-D188 VanDerWaalsContact O-CA 3.29Å; P166-D188 WeakPolarHBondContact O-CA 3.28Å; P166-D188 WeakPolarHBondContact O-CB 3.14Å; P166-D189 WeakPolarHBondContact CB-OD2 3.04Å; P166-D189 WeakPolarHBondContact CG-OD2 3.25Å; P166-D189 PolarHBondContact O-N 3.11Å
167I98.4Very high89.9Confident0 Ų044.7 Ų44.70%027%0.268CS..EExtended strand (participates in β ladder)trans-63.3132.6172.7-57-58.4000108.9R124 T137 V142 H163 T165 I170 A187R124-I167 VanDerWaalsContact CG-O 3.28Å; R124-I167 WeakPolarHBondContact CG-O 3.33Å; R124-I167 PolarHBondContact NE-O 2.82Å; R124-I167 PolarHBondContact NH2-O 2.84Å; T137-I167 PolarHBondContact O-N 2.92Å; T137-I167 VanDerWaalsContact O-N 3.1Å; V142-I167 HydrophobicContact CG2-CD1 3.99Å; V142-I167 HydrophobicContact CG2-CG1 4.04Å; H163-I167 HydrophobicContact CB-CD1 3.77Å; H163-I167 WeakPolarHBondContact CD2-CD1 3.18Å; T165-I167 PolarHBondContact O-N 2.85Å; I167-I170 HydrophobicContact CG2-CD1 4.26Å; I167-I170 HydrophobicContact CG2-CG1 3.89Å; I167-A187 CarbonylContact C-O 3.5Å; I167-A187 WeakPolarHBondContact CA-O 3.39Å; I167-A187 WeakPolarHBondContact CG2-O 3.27Å
168T98.2Very high87.6Confident9 Ų951.5 Ų51.56%0.05529%0.293CS..EExtended strand (participates in β ladder)trans-96-45.9177.645.40000111.9P166 A187 D188 D189 C215P166-T168 PolarHBondContact O-N 3.31Å; T168-A187 PolarHBondContact N-O 3.16Å; T168-A187 WeakPolarHBondContact OG1-CB 3.3Å; T168-A187 PolarHBondContact OG1-O 2.96Å; T168-A187 VanDerWaalsContact OG1-O 3.07Å; T168-D188 PolarHBondContact OG1-N 3.26Å; T168-D189 HydrophobicContact CG2-CB 4.48Å; T168-D189 WeakPolarHBondContact CG2-OD1 3.38Å; T168-C215 WeakPolarHBondContact CB-O 3.38Å; T168-C215 PolarHBondContact OG1-O 3.47Å
169D98.7Very high85.8Confident2 Ų257.3 Ų57.31%0.01133%0.325CS..EExtended strand (participates in β ladder)trans-156.2159.4-177-156.814.3000111.4N19 A187 S217 V218N19-D169 PolarHBondContact ND2-OD2 2.92Å; D169-A187 PolarHBondContact O-N 2.87Å; D169-S217 VanDerWaalsContact OD2-CA 3.24Å; D169-S217 WeakPolarHBondContact OD2-CA 3.13Å; D169-S217 PolarHBondContact OD2-OG 2.89Å; D169-V218 HydrophobicContact CB-CG1 4.19Å; D169-V218 PolarHBondContact OD2-N 3.39Å; D169-V218 VanDerWaalsContact OD2-N 3.1Å
170I98.7Very high84.2Confident6 Ų654.2 Ų54.23%0.03132%0.315CS..EExtended strand (participates in β ladder)trans-136.4133.2175.7-51.5-176.8000107.4G125 A127 C134 V142 I167 M184 V185 T186G125-I170 WeakPolarHBondContact O-CD1 3.2Å; A127-I170 HydrophobicContact CB-CB 3.98Å; A127-I170 HydrophobicContact CB-CG2 3.61Å; C134-I170 HydrophobicContact CB-CD1 4.35Å; V142-I170 HydrophobicContact CG1-CD1 3.74Å; V142-I170 HydrophobicContact CG2-CD1 4.14Å; I167-I170 HydrophobicContact CG2-CD1 4.26Å; I167-I170 HydrophobicContact CG2-CG1 3.89Å; I170-M184 HydrophobicContact CG2-CG 3.86Å; I170-M184 HydrophobicContact CG2-SD 3.92Å; I170-V185 WeakPolarHBondContact CA-O 3.46Å; I170-T186 HydrophobicContact CB-CG2 4.42Å; I170-T186 HydrophobicContact CD1-CG2 4.17Å; I170-T186 HydrophobicContact CG1-CG2 3.98Å; I170-T186 HydrophobicContact CG2-CG2 3.85Å
171A97.9Very high83.2Confident5 Ų557.9 Ų57.94%0.04134%0.338CS..EExtended strand (participates in β ladder)trans-128.4150.7171.900000111M184 V185 V218A171-M184 CarbonylContact O-C 3.56Å; A171-M184 WeakPolarHBondContact O-CA 3.47Å; A171-V185 HydrophobicContact CB-CG1 3.97Å; A171-V185 PolarHBondContact N-O 2.83Å; A171-V185 PolarHBondContact O-N 2.85Å; A171-V218 HydrophobicContact CB-CG1 3.96Å; A171-V218 VanDerWaalsContact CB-O 3.3Å; A171-V218 WeakPolarHBondContact CB-O 3.23Å
172T95.9Very high82.7Confident27 Ų2755.3 Ų55.317%0.16632%0.317CS..EExtended strand (participates in β ladder)trans-124.9155.2177.451.10000110.2A127 A128 P174 D183 M184A127-T172 HydrophobicContact CB-CG2 3.75Å; A128-T172 WeakPolarHBondContact O-CB 3.38Å; A128-T172 WeakPolarHBondContact O-CG2 3.29Å; A128-T172 PolarHBondContact O-OG1 2.62Å; T172-P174 WeakPolarHBondContact O-CD 3.27Å; T172-D183 CarbonylContact C-O 3.58Å; T172-D183 WeakPolarHBondContact CA-O 3.32Å; T172-D183 WeakPolarHBondContact CB-O 2.99Å; T172-M184 HydrophobicContact CG2-CB 3.96Å; T172-M184 HydrophobicContact CG2-CG 3.81Å; T172-M184 HydrophobicContact CG2-SD 4.38Å
173E90.5Very high82.6Confident28 Ų2856.5 Ų56.513%0.13132%0.323CS..  trans-66.5126174.5-170.869.6-127.800108.2A175 D183 L220 Q222 G223E173-A175 PolarHBondContact O-N 3.46Å; E173-D183 HydrophobicContact CB-CB 4.27Å; E173-D183 PolarHBondContact N-O 2.86Å; E173-L220 HydrophobicContact CB-CD2 3.92Å; E173-L220 HydrophobicContact CB-CG 4.36Å; E173-L220 WeakPolarHBondContact OE2-CG 3Å; E173-Q222 VanDerWaalsContact CD-N 3.26Å; E173-Q222 WeakPolarHBondContact OE1-CA 3.18Å; E173-Q222 PolarHBondContact OE1-N 3.08Å; E173-Q222 PolarHBondContact OE2-N 3.29Å; E173-Q222 VanDerWaalsContact OE2-N 3.1Å; E173-G223 PolarHBondContact OE2-N 3.26Å
174P80.4Confident82.6Confident41 Ų4156.5 Ų56.527%0.26632%0.323SS..  trans-53.5140.8172.9-20.128000110T172 Q176 L220 L260 P262T172-P174 WeakPolarHBondContact O-CD 3.27Å; P174-Q176 PolarHBondContact O-N 3.34Å; P174-L220 WeakPolarHBondContact CD-O 3.36Å; P174-L260 HydrophobicContact CG-CD2 4.26Å; P174-P262 HydrophobicContact CB-CB 3.88Å; P174-P262 HydrophobicContact CB-CG 4.11Å; P174-P262 HydrophobicContact CG-CB 3.5Å; P174-P262 VanDerWaalsContact CG-CB 3.5Å; P174-P262 HydrophobicContact CG-CG 4.06Å
175A60.9Low82.8Confident112 Ų11248.9 Ų48.993%0.92629%0.287SS*.SBendtrans-66.944.6-164.900000117.1E173E173-A175 PolarHBondContact O-N 3.46Å
176Q53.2Low83Confident172 Ų17247 Ų4780%0.80428%0.276SS*.  trans-125.122.7-178-69.4-167-2.300114.9P174P174-Q176 PolarHBondContact O-N 3.34Å
177G51.7Low83.1Confident40 Ų4045.6 Ų45.641%0.41227%0.266SS..  trans-137104.6172.700000112.2D179G177-D179 PolarHBondContact O-N 3.47Å
178Q49.1Very low83Confident199 Ų19945.6 Ų45.693%0.9327%0.267SS*.THydrogen-bonded Turntrans-70-8.3178.1-139.596.924.300113.2
179D58.1Low82.9Confident159 Ų15948.1 Ų48.185%0.8528%0.28SS*.THydrogen-bonded Turntrans-130.435.7-174.4-71-39.2000112.5G177 V181G177-D179 PolarHBondContact O-N 3.47Å; D179-V181 PolarHBondContact O-N 2.81Å
180C64.9Low82.7Confident42 Ų4250.2 Ų50.228%0.28429%0.294SS..  trans-77120.9176.4-68.70000110.8A182C180-A182 PolarHBondContact O-N 3.08Å
181V76.5Confident82.6Confident85 Ų8549.9 Ų49.952%0.51529%0.293SS..SBendtrans-61.5-33.3177.5178.40000111D179 R197 L205 A240D179-V181 PolarHBondContact O-N 2.81Å; V181-R197 PolarHBondContact O-NE 2.73Å; V181-R197 PolarHBondContact O-NH2 2.93Å; V181-L205 WeakPolarHBondContact O-CD1 3.39Å; V181-A240 HydrophobicContact CG1-CB 4.42Å
182A86.1Confident82.6Confident4 Ų451.2 Ų51.23%0.03330%0.299CS..  trans-136140174.800000108.7C180 V195 W196 L205 A239C180-A182 PolarHBondContact O-N 3.08Å; A182-V195 HydrophobicContact CB-CG1 3.4Å; A182-W196 WeakPolarHBondContact CA-O 3.4Å; A182-L205 HydrophobicContact CB-CD1 3.64Å; A182-A239 HydrophobicContact CB-CB 3.92Å
183D92.9Very high82.7Confident26 Ų2649.9 Ų49.914%0.13929%0.291CS..  trans-132.8-3.2-174.362.98.6000113.9T172 E173 W196 R197 S198T172-D183 CarbonylContact C-O 3.58Å; T172-D183 WeakPolarHBondContact CA-O 3.32Å; T172-D183 WeakPolarHBondContact CB-O 2.99Å; E173-D183 HydrophobicContact CB-CB 4.27Å; E173-D183 PolarHBondContact N-O 2.86Å; D183-W196 PolarHBondContact N-O 2.87Å; D183-R197 WeakPolarHBondContact OD1-CA 3.36Å; D183-S198 VanDerWaalsContact CG-N 3.31Å; D183-S198 PolarHBondContact OD1-N 2.81Å; D183-S198 WeakPolarHBondContact OD2-CB 3.41Å; D183-S198 PolarHBondContact OD2-N 3.39Å; D183-S198 PolarHBondContact OD2-OG 3.2Å
184M96.9Very high83.1Confident0 Ų048.6 Ų48.60%029%0.285CS..EExtended strand (participates in β ladder)trans-143.1140.9175.8-176.1178.376.900110.7C134 L160 I170 A171 T172 T186 W196 F202C134-M184 HydrophobicContact CB-SD 3.94Å; C134-M184 VanDerWaalsContact SG-SD 3.61Å; L160-M184 HydrophobicContact CD1-CE 3.73Å; I170-M184 HydrophobicContact CG2-CG 3.86Å; I170-M184 HydrophobicContact CG2-SD 3.92Å; A171-M184 CarbonylContact O-C 3.56Å; A171-M184 WeakPolarHBondContact O-CA 3.47Å; T172-M184 HydrophobicContact CG2-CB 3.96Å; T172-M184 HydrophobicContact CG2-CG 3.81Å; T172-M184 HydrophobicContact CG2-SD 4.38Å; M184-T186 HydrophobicContact CE-CG2 4.12Å; M184-W196 HydrophobicContact CB-CB 4.22Å; M184-W196 HydrophobicContact CE-CB 3.81Å; M184-W196 HydrophobicContact CE-CD2 4.18Å; M184-W196 HydrophobicContact CE-CG 3.58Å; M184-W196 PolarHBondContact N-O 3.34Å; M184-W196 PolarHBondContact O-N 3.41Å; M184-F202 HydrophobicContact CE-CD1 3.6Å; M184-F202 HydrophobicContact CE-CE1 3.62Å; M184-F202 HydrophobicContact SD-CD1 4.41Å; M184-F202 HydrophobicContact SD-CE1 3.82Å
185V98.4Very high83.9Confident0 Ų046.6 Ų46.60%027%0.272CS..EExtended strand (participates in β ladder)trans-130.2137.7172.360.90000109.5I170 A171 L193 C194 V195 V218 L220 I225I170-V185 WeakPolarHBondContact CA-O 3.46Å; A171-V185 HydrophobicContact CB-CG1 3.97Å; A171-V185 PolarHBondContact N-O 2.83Å; A171-V185 PolarHBondContact O-N 2.85Å; V185-L193 HydrophobicContact CG2-CB 4.24Å; V185-C194 WeakPolarHBondContact CA-O 3.37Å; V185-V195 HydrophobicContact CG2-CG2 4.45Å; V185-V218 HydrophobicContact CB-CG2 4.46Å; V185-V218 HydrophobicContact CG1-CB 4.45Å; V185-V218 HydrophobicContact CG1-CG1 3.97Å; V185-V218 HydrophobicContact CG1-CG2 3.61Å; V185-V218 HydrophobicContact CG2-CG2 3.96Å; V185-L220 HydrophobicContact CG1-CB 4.12Å; V185-I225 HydrophobicContact CB-CD1 4.47Å; V185-I225 HydrophobicContact CB-CG1 4.35Å; V185-I225 HydrophobicContact CG1-CG2 4.41Å; V185-I225 HydrophobicContact CG2-CD1 4.05Å; V185-I225 HydrophobicContact CG2-CG1 4.23Å; V185-I225 HydrophobicContact CG2-CG2 4.02Å
186T98.8Very high85.7Confident0 Ų041.8 Ų41.80%023%0.23CC..EExtended strand (participates in β ladder)trans-121.7138.3178.357.50000108.6V142 H163 I170 M184 L193 C194 W196V142-T186 HydrophobicContact CG2-CG2 3.89Å; H163-T186 PolarHBondContact CE1-O 2.93Å; H163-T186 PolarHBondContact NE2-O 3.16Å; H163-T186 PolarHBondContact NE2-OG1 3.01Å; I170-T186 HydrophobicContact CB-CG2 4.42Å; I170-T186 HydrophobicContact CD1-CG2 4.17Å; I170-T186 HydrophobicContact CG1-CG2 3.98Å; I170-T186 HydrophobicContact CG2-CG2 3.85Å; M184-T186 HydrophobicContact CE-CG2 4.12Å; T186-L193 CarbonylContact O-C 3.53Å; T186-L193 VanDerWaalsContact O-CA 3.27Å; T186-L193 WeakPolarHBondContact O-CA 3.43Å; T186-C194 PolarHBondContact N-O 3.37Å; T186-C194 PolarHBondContact O-N 3.48Å; T186-C194 WeakPolarHBondContact OG1-CB 3.48Å; T186-C194 PolarHBondContact OG1-O 3.21Å; T186-W196 PolarHBondContact OG1-NE1 2.78Å
187A98.4Very high87.7Confident0 Ų038.2 Ų38.20%021%0.209CC..EExtended strand (participates in β ladder)trans-117.8155.1179.400000110.9I167 T168 D169 L193 C215 V218I167-A187 CarbonylContact C-O 3.5Å; I167-A187 WeakPolarHBondContact CA-O 3.39Å; I167-A187 WeakPolarHBondContact CG2-O 3.27Å; T168-A187 PolarHBondContact N-O 3.16Å; T168-A187 WeakPolarHBondContact OG1-CB 3.3Å; T168-A187 PolarHBondContact OG1-O 2.96Å; T168-A187 VanDerWaalsContact OG1-O 3.07Å; D169-A187 PolarHBondContact O-N 2.87Å; A187-L193 HydrophobicContact CB-CD2 3.62Å; A187-C215 HydrophobicContact CB-CB 4.07Å; A187-V218 HydrophobicContact CB-CB 4.29Å; A187-V218 HydrophobicContact CB-CG1 4.23Å
188D97.3Very high89.6Confident1 Ų137.7 Ų37.71%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-132.9175.1175.974.519.2000114.6H163 T165 P166 T168 S190 G191 L192 C215H163-D188 HydrophobicContact CB-CB 4.17Å; H163-D188 WeakPolarHBondContact CB-OD2 3.33Å; H163-D188 IonicContact CE1-OD2 3.05Å; H163-D188 IonicContact CG-OD2 3.66Å; H163-D188 WeakPolarHBondContact ND1-CB 3.46Å; H163-D188 VanDerWaalsContact ND1-CG 3.26Å; H163-D188 IonicContact ND1-OD2 3.47Å; H163-D188 PolarHBondContact ND1-OD2 2.84Å; T165-D188 VanDerWaalsContact OG1-CB 3.3Å; T165-D188 WeakPolarHBondContact OG1-CB 3.39Å; T165-D188 PolarHBondContact OG1-OD1 3Å; T165-D188 PolarHBondContact OG1-OD2 2.71Å; P166-D188 VanDerWaalsContact O-CA 3.29Å; P166-D188 WeakPolarHBondContact O-CA 3.28Å; P166-D188 WeakPolarHBondContact O-CB 3.14Å; T168-D188 PolarHBondContact OG1-N 3.26Å; D188-S190 PolarHBondContact O-N 3.22Å; D188-S190 WeakPolarHBondContact OD1-CA 3.38Å; D188-S190 WeakPolarHBondContact OD1-CB 3.44Å; D188-S190 PolarHBondContact OD1-N 3.39Å; D188-S190 PolarHBondContact OD1-OG 2.82Å; D188-S190 PolarHBondContact OD2-OG 2.89Å; D188-G191 PolarHBondContact O-N 2.95Å; D188-G191 PolarHBondContact OD1-N 2.65Å; D188-G191 VanDerWaalsContact OD1-N 3.1Å; D188-L192 PolarHBondContact N-O 3.33Å; D188-L192 WeakPolarHBondContact OD1-CB 3.2Å; D188-L192 PolarHBondContact OD1-N 3.24Å; D188-L192 WeakPolarHBondContact OD2-CB 2.97Å; D188-C215 PolarHBondContact O-N 2.93Å
189D95.3Very high91.4Very high61 Ų6129.5 Ų29.533%0.32617%0.168SC..THydrogen-bonded Turntrans-65.5-18.1-179.4-79.2-21.3000113.4R124 P166 T168 G191 P214R124-D189 IonicContact CZ-OD1 2.75Å; R124-D189 VanDerWaalsContact NH2-CG 3.33Å; R124-D189 IonicContact NH2-OD1 3.61Å; R124-D189 PolarHBondContact NH2-OD1 3.05Å; R124-D189 IonicContact NH2-OD2 3.89Å; R124-D189 PolarHBondContact NH2-OD2 2.94Å; P166-D189 WeakPolarHBondContact CB-OD2 3.04Å; P166-D189 WeakPolarHBondContact CG-OD2 3.25Å; P166-D189 PolarHBondContact O-N 3.11Å; T168-D189 HydrophobicContact CG2-CB 4.48Å; T168-D189 WeakPolarHBondContact CG2-OD1 3.38Å; D189-G191 VanDerWaalsContact C-N 3.3Å; D189-P214 VanDerWaalsContact O-CA 3.3Å; D189-P214 WeakPolarHBondContact O-CA 3.46Å; D189-P214 WeakPolarHBondContact O-CB 3.26Å; D189-P214 WeakPolarHBondContact O-CG 3.24Å
190S95.8Very high92.8Very high46 Ų4628.1 Ų28.132%0.32217%0.168SC..THydrogen-bonded Turntrans-84.4-8.1172.876.70000113.4T165 D188 L192T165-S190 PolarHBondContact OG1-N 2.67Å; D188-S190 PolarHBondContact O-N 3.22Å; D188-S190 WeakPolarHBondContact OD1-CA 3.38Å; D188-S190 WeakPolarHBondContact OD1-CB 3.44Å; D188-S190 PolarHBondContact OD1-N 3.39Å; D188-S190 PolarHBondContact OD1-OG 2.82Å; D188-S190 PolarHBondContact OD2-OG 2.89Å; S190-L192 VanDerWaalsContact C-N 3.34Å; S190-L192 PolarHBondContact OG-N 3.36Å
191G96.1Very high94.1Very high0 Ų033.1 Ų33.10%019%0.187CC..  trans87-1.1-173.200000114.1D188 D189 L193 G210 V213D188-G191 PolarHBondContact O-N 2.95Å; D188-G191 PolarHBondContact OD1-N 2.65Å; D188-G191 VanDerWaalsContact OD1-N 3.1Å; D189-G191 VanDerWaalsContact C-N 3.3Å; G191-L193 PolarHBondContact O-N 3.39Å; G191-G210 WeakPolarHBondContact O-CA 3.5Å; G191-G210 PolarHBondContact O-N 3.49Å; G191-V213 WeakPolarHBondContact CA-O 3.16Å; G191-V213 PolarHBondContact N-O 3.31Å
192L97.5Very high95.1Very high32 Ų3229.8 Ų29.817%0.16817%0.166CC..  trans-65.6132.9178.917670.9000109.5H163 D188 S190 R207H163-L192 PolarHBondContact CE1-O 2.94Å; D188-L192 PolarHBondContact N-O 3.33Å; D188-L192 WeakPolarHBondContact OD1-CB 3.2Å; D188-L192 PolarHBondContact OD1-N 3.24Å; D188-L192 WeakPolarHBondContact OD2-CB 2.97Å; S190-L192 VanDerWaalsContact C-N 3.34Å; S190-L192 PolarHBondContact OG-N 3.36Å; L192-R207 HydrophobicContact CD1-CB 4.25Å
193L98.3Very high95.5Very high0 Ų032.5 Ų32.50%018%0.182CC..EExtended strand (participates in β ladder)trans-105.6132.1169.7-44.5175.5000109.2V185 T186 A187 G191 R207 I208 C215 I225 A227 Y237V185-L193 HydrophobicContact CG2-CB 4.24Å; T186-L193 CarbonylContact O-C 3.53Å; T186-L193 VanDerWaalsContact O-CA 3.27Å; T186-L193 WeakPolarHBondContact O-CA 3.43Å; A187-L193 HydrophobicContact CB-CD2 3.62Å; G191-L193 PolarHBondContact O-N 3.39Å; L193-R207 CarbonylContact O-C 3.59Å; L193-R207 WeakPolarHBondContact O-CA 3.28Å; L193-I208 HydrophobicContact CB-CB 4.11Å; L193-I208 HydrophobicContact CD1-CB 4.41Å; L193-I208 HydrophobicContact CD1-CD1 4.47Å; L193-I208 PolarHBondContact N-O 2.66Å; L193-I208 PolarHBondContact O-N 2.71Å; L193-C215 HydrophobicContact CD2-CB 4.31Å; L193-I225 HydrophobicContact CD1-CG2 4.04Å; L193-A227 HydrophobicContact CD1-CB 3.76Å; L193-A227 HydrophobicContact CD2-CB 4.37Å; L193-Y237 HydrophobicContact CD1-CD2 4.01Å; L193-Y237 HydrophobicContact CD1-CE2 3.94Å
194C98.3Very high95.8Very high0 Ų034.4 Ų34.40%019%0.192CC..EExtended strand (participates in β ladder)trans-109132.8166.1-65.60000109H163 V185 T186 W196 L204 R207H163-C194 VanDerWaalsContact CE1-SG 3.55Å; H163-C194 WeakPolarHBondContact NE2-CB 3.38Å; H163-C194 PolarHBondContact NE2-SG 3.44Å; H163-C194 VanDerWaalsContact NE2-SG 3.36Å; V185-C194 WeakPolarHBondContact CA-O 3.37Å; T186-C194 PolarHBondContact N-O 3.37Å; T186-C194 PolarHBondContact O-N 3.48Å; T186-C194 WeakPolarHBondContact OG1-CB 3.48Å; T186-C194 PolarHBondContact OG1-O 3.21Å; C194-W196 HydrophobicContact CB-CZ2 3.59Å; C194-W196 VanDerWaalsContact O-CD1 3.25Å; C194-W196 PolarHBondContact O-NE1 2.93Å; C194-L204 HydrophobicContact CB-CD1 3.64Å; C194-R207 PolarHBondContact SG-NH1 3.1Å
195V98.2Very high95.7Very high0 Ų037.2 Ų37.20%021%0.206CC..EExtended strand (participates in β ladder)trans-109.6130.6-179.1-175.40000108.8A182 V185 L205 T206 I208 I225 A239A182-V195 HydrophobicContact CB-CG1 3.4Å; V185-V195 HydrophobicContact CG2-CG2 4.45Å; V195-L205 HydrophobicContact CG1-CD1 4.48Å; V195-L205 PolarHBondContact O-N 3.14Å; V195-T206 HydrophobicContact CB-CG2 3.6Å; V195-T206 HydrophobicContact CG1-CG2 4.34Å; V195-T206 HydrophobicContact CG2-CG2 3.56Å; V195-T206 PolarHBondContact N-O 2.92Å; V195-T206 PolarHBondContact O-N 2.88Å; V195-I208 HydrophobicContact CG2-CD1 4.06Å; V195-I225 HydrophobicContact CG2-CD1 3.43Å; V195-I225 VanDerWaalsContact CG2-CD1 3.43Å; V195-A239 HydrophobicContact CG1-CB 4.13Å
196W97.4Very high95.6Very high10 Ų1038.7 Ų38.74%0.03822%0.215CC..EExtended strand (participates in β ladder)trans-126.9158.8-170.5-46.282.8000111.2L160 A182 D183 M184 T186 C194 F202 T203 L204L160-W196 HydrophobicContact CB-CH2 3.74Å; L160-W196 HydrophobicContact CB-CZ2 4.3Å; L160-W196 HydrophobicContact CB-CZ3 3.91Å; L160-W196 HydrophobicContact CD1-CD2 4.22Å; L160-W196 HydrophobicContact CD1-CE3 4.02Å; L160-W196 HydrophobicContact CD1-CH2 4.45Å; L160-W196 HydrophobicContact CD1-CZ3 4.13Å; L160-W196 HydrophobicContact CG-CZ3 4.42Å; A182-W196 WeakPolarHBondContact CA-O 3.4Å; D183-W196 PolarHBondContact N-O 2.87Å; M184-W196 HydrophobicContact CB-CB 4.22Å; M184-W196 HydrophobicContact CE-CB 3.81Å; M184-W196 HydrophobicContact CE-CD2 4.18Å; M184-W196 HydrophobicContact CE-CG 3.58Å; M184-W196 PolarHBondContact N-O 3.34Å; M184-W196 PolarHBondContact O-N 3.41Å; T186-W196 PolarHBondContact OG1-NE1 2.78Å; C194-W196 HydrophobicContact CB-CZ2 3.59Å; C194-W196 VanDerWaalsContact O-CD1 3.25Å; C194-W196 PolarHBondContact O-NE1 2.93Å; W196-F202 HydrophobicContact CB-CD1 4.45Å; W196-T203 CarbonylContact C-O 3.55Å; W196-T203 VanDerWaalsContact CA-O 3.22Å; W196-T203 WeakPolarHBondContact CA-O 3.48Å; W196-L204 HydrophobicContact CD2-CD1 3.93Å; W196-L204 HydrophobicContact CE3-CB 3.76Å; W196-L204 HydrophobicContact CE3-CD1 3.96Å; W196-L204 HydrophobicContact CE3-CG 4.46Å; W196-L204 HydrophobicContact CH2-CB 4.21Å; W196-L204 HydrophobicContact CH2-CD1 3.87Å; W196-L204 HydrophobicContact CH2-CG 4.43Å; W196-L204 HydrophobicContact CZ2-CD1 3.84Å; W196-L204 HydrophobicContact CZ3-CB 3.58Å; W196-L204 HydrophobicContact CZ3-CD1 3.94Å; W196-L204 HydrophobicContact CZ3-CG 4.25Å
197R94.9Very high95.5Very high97 Ų9743.8 Ų43.837%0.36624%0.235SC..EExtended strand (participates in β ladder)trans-118.8125.6163.3170.7-172-51.61345.3108.9V181 D183 T203 L205V181-R197 PolarHBondContact O-NE 2.73Å; V181-R197 PolarHBondContact O-NH2 2.93Å; D183-R197 WeakPolarHBondContact OD1-CA 3.36Å; R197-T203 PolarHBondContact N-O 2.84Å; R197-T203 PolarHBondContact O-N 2.92Å; R197-T203 PolarHBondContact O-OG1 3.31Å; R197-L205 HydrophobicContact CB-CD1 3.94Å; R197-L205 HydrophobicContact CB-CD2 4.25Å; R197-L205 HydrophobicContact CB-CG 4.25Å
198S91.8Very high95.5Very high30 Ų3044 Ų4421%0.2124%0.236CC..  trans-74.2151.5170.281.40000111.1S129 D183S129-S198 WeakPolarHBondContact OG-CB 3.3Å; S129-S198 PolarHBondContact OG-OG 2.91Å; D183-S198 VanDerWaalsContact CG-N 3.31Å; D183-S198 PolarHBondContact OD1-N 2.81Å; D183-S198 WeakPolarHBondContact OD2-CB 3.41Å; D183-S198 PolarHBondContact OD2-N 3.39Å; D183-S198 PolarHBondContact OD2-OG 3.2Å
199G88.1Confident95.2Very high27 Ų2747.8 Ų47.828%0.27826%0.261SS..SBendtrans-177.5-157.4-176.800000109.5E201G199-E201 PolarHBondContact O-N 2.91Å
200P87.1Confident94.2Very high130 Ų13045.1 Ų45.184%0.84425%0.247SC*.SBendtrans-57.1-33.3167.4-2334000112.5
201E92.8Very high93.3Very high146 Ų14651 Ų5168%0.68227%0.267SS*.SBendtrans-132.7146.4168.7-64.9178.9178.400109E158 G199E158-E201 VanDerWaalsContact OE1-CA 3.26Å; E158-E201 WeakPolarHBondContact OE1-CA 3.47Å; G199-E201 PolarHBondContact O-N 2.91Å
202F95.9Very high92.8Very high16 Ų1654 Ų547%0.0730%0.299CS..  trans-76128.9176-83.9-105.5000110.7F132 V144 E158 L160 M184 W196F132-F202 HydrophobicContact CB-CE2 4.3Å; F132-F202 HydrophobicContact CB-CZ 4.27Å; F132-F202 AromaticContact CD2-CE2 3.65Å; F132-F202 HydrophobicContact CD2-CE2 3.65Å; F132-F202 HydrophobicContact CD2-CZ 4Å; F132-F202 HydrophobicContact CE2-CE2 4.03Å; F132-F202 AromaticContact CG-CE2 3.93Å; F132-F202 HydrophobicContact CG-CE2 3.93Å; F132-F202 HydrophobicContact CG-CZ 4.31Å; V144-F202 HydrophobicContact CG1-CD2 3.97Å; V144-F202 HydrophobicContact CG1-CE2 3.5Å; V144-F202 VanDerWaalsContact CG1-CE2 3.5Å; V144-F202 HydrophobicContact CG1-CZ 4.17Å; V144-F202 HydrophobicContact CG2-CD2 4.27Å; V144-F202 HydrophobicContact CG2-CE2 4.35Å; E158-F202 PolarHBondContact OE1-N 2.87Å; E158-F202 PolarHBondContact OE2-N 3.26Å; E158-F202 VanDerWaalsContact OE2-N 3.11Å; L160-F202 HydrophobicContact CD1-CB 3.86Å; L160-F202 HydrophobicContact CD1-CD1 4.04Å; L160-F202 HydrophobicContact CD1-CG 4.02Å; L160-F202 HydrophobicContact CD2-CB 3.61Å; L160-F202 HydrophobicContact CD2-CG 4.36Å; L160-F202 HydrophobicContact CG-CB 4.39Å; M184-F202 HydrophobicContact CE-CD1 3.6Å; M184-F202 HydrophobicContact CE-CE1 3.62Å; M184-F202 HydrophobicContact SD-CD1 4.41Å; M184-F202 HydrophobicContact SD-CE1 3.82Å; W196-F202 HydrophobicContact CB-CD1 4.45Å
203T96.3Very high92.6Very high60 Ų6054.3 Ų54.337%0.36830%0.302SS..EExtended strand (participates in β ladder)trans-110.3127.1-179.455.40000110.9W196 R197 L205W196-T203 CarbonylContact C-O 3.55Å; W196-T203 VanDerWaalsContact CA-O 3.22Å; W196-T203 WeakPolarHBondContact CA-O 3.48Å; R197-T203 PolarHBondContact N-O 2.84Å; R197-T203 PolarHBondContact O-N 2.92Å; R197-T203 PolarHBondContact O-OG1 3.31Å; T203-L205 PolarHBondContact O-N 2.96Å
204L97.4Very high92.5Very high67 Ų6757 Ų5735%0.35132%0.319SS..EExtended strand (participates in β ladder)trans-76121.3171.8-178.565.3000109.5C194 W196 R207C194-L204 HydrophobicContact CB-CD1 3.64Å; W196-L204 HydrophobicContact CD2-CD1 3.93Å; W196-L204 HydrophobicContact CE3-CB 3.76Å; W196-L204 HydrophobicContact CE3-CD1 3.96Å; W196-L204 HydrophobicContact CE3-CG 4.46Å; W196-L204 HydrophobicContact CH2-CB 4.21Å; W196-L204 HydrophobicContact CH2-CD1 3.87Å; W196-L204 HydrophobicContact CH2-CG 4.43Å; W196-L204 HydrophobicContact CZ2-CD1 3.84Å; W196-L204 HydrophobicContact CZ3-CB 3.58Å; W196-L204 HydrophobicContact CZ3-CD1 3.94Å; W196-L204 HydrophobicContact CZ3-CG 4.25Å; L204-R207 HydrophobicContact CD2-CG 4.24Å
205L96.3Very high92.5Very high58 Ų5857 Ų5730%0.30432%0.319SS..EExtended strand (participates in β ladder)trans-96.6-49.2-177.7-57.9176.8000112.3V181 A182 V195 R197 T203V181-L205 WeakPolarHBondContact O-CD1 3.39Å; A182-L205 HydrophobicContact CB-CD1 3.64Å; V195-L205 HydrophobicContact CG1-CD1 4.48Å; V195-L205 PolarHBondContact O-N 3.14Å; R197-L205 HydrophobicContact CB-CD1 3.94Å; R197-L205 HydrophobicContact CB-CD2 4.25Å; R197-L205 HydrophobicContact CB-CG 4.25Å; T203-L205 PolarHBondContact O-N 2.96Å
206T95.9Very high92.4Very high31 Ų3157.8 Ų57.819%0.1933%0.325CS..EExtended strand (participates in β ladder)trans-151.7162.1-177.7-169.30000112.1V195 I208 A239V195-T206 HydrophobicContact CB-CG2 3.6Å; V195-T206 HydrophobicContact CG1-CG2 4.34Å; V195-T206 HydrophobicContact CG2-CG2 3.56Å; V195-T206 PolarHBondContact N-O 2.92Å; V195-T206 PolarHBondContact O-N 2.88Å; T206-I208 HydrophobicContact CG2-CG1 4.4Å; T206-A239 WeakPolarHBondContact CG2-O 3.39Å
207R97Very high92.5Very high107 Ų10757.3 Ų57.340%0.40432%0.323SS..EExtended strand (participates in β ladder)trans-126.7122.3178.1-69.7174.1174.4-78.60108.2G162 L192 L193 C194 L204G162-R207 VanDerWaalsContact O-CZ 3.23Å; G162-R207 PolarHBondContact O-NH1 2.98Å; G162-R207 PolarHBondContact O-NH2 2.67Å; L192-R207 HydrophobicContact CD1-CB 4.25Å; L193-R207 CarbonylContact O-C 3.59Å; L193-R207 WeakPolarHBondContact O-CA 3.28Å; C194-R207 PolarHBondContact SG-NH1 3.1Å; L204-R207 HydrophobicContact CD2-CG 4.24Å
208I97.4Very high92.7Very high6 Ų652.7 Ų52.73%0.03131%0.305CS..EExtended strand (participates in β ladder)trans-112.1111.1-178.1-49.8173.2000107.9L193 V195 T206 G210 I225 Y237L193-I208 HydrophobicContact CB-CB 4.11Å; L193-I208 HydrophobicContact CD1-CB 4.41Å; L193-I208 HydrophobicContact CD1-CD1 4.47Å; L193-I208 PolarHBondContact N-O 2.66Å; L193-I208 PolarHBondContact O-N 2.71Å; V195-I208 HydrophobicContact CG2-CD1 4.06Å; T206-I208 HydrophobicContact CG2-CG1 4.4Å; I208-G210 PolarHBondContact O-N 3.49Å; I208-I225 HydrophobicContact CD1-CD1 3.85Å; I208-Y237 HydrophobicContact CD1-CD1 4.41Å; I208-Y237 HydrophobicContact CD1-CG 4.12Å; I208-Y237 HydrophobicContact CG2-CD1 3.68Å; I208-Y237 HydrophobicContact CG2-CE1 3.53Å; I208-Y237 HydrophobicContact CG2-CE2 4.46Å; I208-Y237 HydrophobicContact CG2-CG 4.21Å
209P91.9Very high93Very high80 Ų8052.3 Ų52.352%0.51930%0.3SS..  trans-72.3128.4-177.427.8-32.7000111.8F211P209-F211 VanDerWaalsContact C-N 3.33Å; P209-F211 PolarHBondContact O-N 2.96Å
210G74.1Confident93.3Very high5 Ų551 Ų515%0.05229%0.287CS..  trans-90.626.2-179.900000116G191 I208 G212 V213G191-G210 WeakPolarHBondContact O-CA 3.5Å; G191-G210 PolarHBondContact O-N 3.49Å; I208-G210 PolarHBondContact O-N 3.49Å; G210-G212 PolarHBondContact O-N 2.84Å; G210-V213 PolarHBondContact O-N 3.23Å; G210-V213 VanDerWaalsContact O-N 3.14Å
211F76.3Confident93.6Very high168 Ų16845.7 Ų45.774%0.73725%0.25SC*.THydrogen-bonded Turntrans50.224.2173.3-54.9-75.8000116.5P209P209-F211 VanDerWaalsContact C-N 3.33Å; P209-F211 PolarHBondContact O-N 2.96Å
212G85.3Confident93.6Very high65 Ų6543.2 Ų43.267%0.6724%0.238SC*.THydrogen-bonded Turntrans8314.917600000115.3G210G210-G212 PolarHBondContact O-N 2.84Å
213V94.8Very high93.3Very high38 Ų3843.3 Ų43.323%0.2324%0.244CC..  trans-107.5128.5172.5-175.90000108.5G191 G210 Y229 N231G191-V213 WeakPolarHBondContact CA-O 3.16Å; G191-V213 PolarHBondContact N-O 3.31Å; G210-V213 PolarHBondContact O-N 3.23Å; G210-V213 VanDerWaalsContact O-N 3.14Å; V213-Y229 HydrophobicContact CB-CD1 4.27Å; V213-Y229 HydrophobicContact CG1-CD1 4.36Å; V213-Y229 WeakPolarHBondContact O-CD1 3.48Å; V213-N231 HydrophobicContact CG1-CB 4.09Å
214P95.6Very high93.3Very high55 Ų5540.8 Ų40.836%0.35723%0.228SC..  trans-54.9145.1176.4-22.730.3000111.7D189 P216 Y229 G230D189-P214 VanDerWaalsContact O-CA 3.3Å; D189-P214 WeakPolarHBondContact O-CA 3.46Å; D189-P214 WeakPolarHBondContact O-CB 3.26Å; D189-P214 WeakPolarHBondContact O-CG 3.24Å; P214-P216 WeakPolarHBondContact O-CD 3.15Å; P214-Y229 WeakPolarHBondContact O-CA 3.18Å; P214-G230 PolarHBondContact O-N 2.77Å
215C97.5Very high93.3Very high0 Ų037.6 Ų37.60%021%0.212CC..  trans-111.588.3175.3178.80000109.6T168 A187 D188 L193 S217 G228 Y229T168-C215 WeakPolarHBondContact CB-O 3.38Å; T168-C215 PolarHBondContact OG1-O 3.47Å; A187-C215 HydrophobicContact CB-CB 4.07Å; D188-C215 PolarHBondContact O-N 2.93Å; L193-C215 HydrophobicContact CD2-CB 4.31Å; C215-S217 VanDerWaalsContact C-N 3.29Å; C215-S217 PolarHBondContact O-N 2.75Å; C215-G228 CarbonylContact C-O 3.59Å; C215-G228 WeakPolarHBondContact CA-O 3.45Å; C215-G228 PolarHBondContact SG-O 2.82Å; C215-Y229 HydrophobicContact CB-CD1 3.89Å; C215-Y229 HydrophobicContact CB-CE1 3.76Å
216P97.8Very high93.4Very high18 Ų1835 Ų3512%0.11720%0.199CC..  trans-70.8-20.8-171.8-22.937.2000114.6C18 N19 P214 G228 I255C18-P216 HydrophobicContact CB-CB 4.11Å; N19-P216 PolarHBondContact ND2-O 3.07Å; P214-P216 WeakPolarHBondContact O-CD 3.15Å; P216-G228 WeakPolarHBondContact CD-O 3.38Å; P216-I255 WeakPolarHBondContact CB-O 3.31Å; P216-I255 WeakPolarHBondContact CG-O 3.49Å
217S98.5Very high93.5Very high0 Ų033.5 Ų33.50%019%0.19CC..EExtended strand (participates in β ladder)trans-148143.7178-171.70000112.5N19 D169 C215 G228 L258N19-S217 WeakPolarHBondContact OD1-CB 3.22Å; N19-S217 PolarHBondContact OD1-OG 2.82Å; D169-S217 VanDerWaalsContact OD2-CA 3.24Å; D169-S217 WeakPolarHBondContact OD2-CA 3.13Å; D169-S217 PolarHBondContact OD2-OG 2.89Å; C215-S217 VanDerWaalsContact C-N 3.29Å; C215-S217 PolarHBondContact O-N 2.75Å; S217-G228 PolarHBondContact O-N 3.39Å; S217-L258 WeakPolarHBondContact OG-CB 3.44Å; S217-L258 PolarHBondContact OG-N 2.83Å
218V98.5Very high93.5Very high0 Ų028.4 Ų28.40%017%0.17CC..EExtended strand (participates in β ladder)trans-135.4149179.871.40000110.2D169 A171 V185 A187 I225 A226D169-V218 HydrophobicContact CB-CG1 4.19Å; D169-V218 PolarHBondContact OD2-N 3.39Å; D169-V218 VanDerWaalsContact OD2-N 3.1Å; A171-V218 HydrophobicContact CB-CG1 3.96Å; A171-V218 VanDerWaalsContact CB-O 3.3Å; A171-V218 WeakPolarHBondContact CB-O 3.23Å; V185-V218 HydrophobicContact CB-CG2 4.46Å; V185-V218 HydrophobicContact CG1-CB 4.45Å; V185-V218 HydrophobicContact CG1-CG1 3.97Å; V185-V218 HydrophobicContact CG1-CG2 3.61Å; V185-V218 HydrophobicContact CG2-CG2 3.96Å; A187-V218 HydrophobicContact CB-CB 4.29Å; A187-V218 HydrophobicContact CB-CG1 4.23Å; V218-I225 HydrophobicContact CG2-CG2 3.6Å; V218-A226 CarbonylContact C-O 3.54Å; V218-A226 VanDerWaalsContact CA-O 3.3Å; V218-A226 WeakPolarHBondContact CA-O 3.24Å; V218-A226 WeakPolarHBondContact CG2-O 3.4Å
219Q97.9Very high93.6Very high21 Ų2128.3 Ų28.310%0.09817%0.17CC..EExtended strand (participates in β ladder)trans-136.3153172.4-66.4-60.2-26.200110.2I225 A226 L258 L260 L267Q219-I225 CarbonylContact O-C 3.59Å; Q219-I225 WeakPolarHBondContact O-CA 3.33Å; Q219-A226 HydrophobicContact CB-CB 4.38Å; Q219-A226 PolarHBondContact N-O 3.23Å; Q219-A226 PolarHBondContact O-N 2.81Å; Q219-L258 HydrophobicContact CG-CB 3.84Å; Q219-L258 PolarHBondContact NE2-O 2.7Å; Q219-L260 HydrophobicContact CB-CB 4.4Å; Q219-L260 HydrophobicContact CG-CB 4.38Å; Q219-L267 HydrophobicContact CB-CD1 4.36Å; Q219-L267 HydrophobicContact CG-CD1 4.38Å
220L95.4Very high93.8Very high0 Ų025.9 Ų25.90%016%0.159CC..EExtended strand (participates in β ladder)trans-125125.8177.2-174.464.1000109.5E173 P174 V185 I224 I225 A239 L260E173-L220 HydrophobicContact CB-CD2 3.92Å; E173-L220 HydrophobicContact CB-CG 4.36Å; E173-L220 WeakPolarHBondContact OE2-CG 3Å; P174-L220 WeakPolarHBondContact CD-O 3.36Å; V185-L220 HydrophobicContact CG1-CB 4.12Å; L220-I224 WeakPolarHBondContact CA-O 3.41Å; L220-I225 HydrophobicContact CD1-CG1 3.62Å; L220-A239 HydrophobicContact CD1-CB 4.09Å; L220-L260 WeakPolarHBondContact O-CD2 3.3Å
221W93.8Very high94.9Very high18 Ų1829 Ų297%0.06817%0.174CC..EExtended strand (participates in β ladder)trans-141.2115.5179.8-176.163.2000111.6G223 I224 L260 P262 G265 L281 I290W221-G223 PolarHBondContact O-N 2.7Å; W221-I224 PolarHBondContact N-O 2.71Å; W221-I224 WeakPolarHBondContact O-CA 3.25Å; W221-I224 VanDerWaalsContact O-CB 3.3Å; W221-I224 WeakPolarHBondContact O-CB 3.5Å; W221-I224 PolarHBondContact O-N 3.48Å; W221-L260 HydrophobicContact CB-CD1 3.78Å; W221-L260 HydrophobicContact CB-CD2 3.53Å; W221-L260 HydrophobicContact CB-CG 4.28Å; W221-L260 HydrophobicContact CG-CD1 3.9Å; W221-L260 HydrophobicContact CG-CD2 3.85Å; W221-L260 HydrophobicContact CG-CG 4.4Å; W221-P262 PolarHBondContact NE1-O 2.65Å; W221-G265 VanDerWaalsContact CE2-CA 3.44Å; W221-G265 VanDerWaalsContact CZ2-CA 3.41Å; W221-L281 HydrophobicContact CE3-CB 3.76Å; W221-L281 HydrophobicContact CE3-CD1 3.98Å; W221-L281 HydrophobicContact CH2-CB 4.18Å; W221-L281 WeakPolarHBondContact CH2-O 3.46Å; W221-L281 HydrophobicContact CZ3-CB 3.52Å; W221-I290 HydrophobicContact CE3-CD1 4.38Å; W221-I290 HydrophobicContact CZ3-CD1 3.81Å
222Q91.2Very high95.9Very high94 Ų9421 Ų2144%0.43914%0.139SC..THydrogen-bonded Turntrans46.847.5180-58.6-178.99.400111.3E173 I224 R283E173-Q222 VanDerWaalsContact CD-N 3.26Å; E173-Q222 WeakPolarHBondContact OE1-CA 3.18Å; E173-Q222 PolarHBondContact OE1-N 3.08Å; E173-Q222 PolarHBondContact OE2-N 3.29Å; E173-Q222 VanDerWaalsContact OE2-N 3.1Å; Q222-I224 VanDerWaalsContact C-N 3.26Å; Q222-I224 PolarHBondContact O-N 2.7Å; Q222-R283 PolarHBondContact O-NH2 2.56Å
223G91.4Very high96.5Very high19 Ų1919.5 Ų19.520%0.19612%0.115CC..THydrogen-bonded Turntrans71.511.8-177.600000115.7E173 W221 A239E173-G223 PolarHBondContact OE2-N 3.26Å; W221-G223 PolarHBondContact O-N 2.7Å; G223-A239 VanDerWaalsContact O-CB 3.22Å; G223-A239 WeakPolarHBondContact O-CB 3.24Å; G223-A239 PolarHBondContact O-N 3.39Å
224I94.9Very high96.6Very high6 Ų617.7 Ų17.73%0.03110%0.104CC..EExtended strand (participates in β ladder)trans-104.1124.6168.5-57.1-60.2000109.2L220 W221 Q222 L236 Y237 I290L220-I224 WeakPolarHBondContact CA-O 3.41Å; W221-I224 PolarHBondContact N-O 2.71Å; W221-I224 WeakPolarHBondContact O-CA 3.25Å; W221-I224 VanDerWaalsContact O-CB 3.3Å; W221-I224 WeakPolarHBondContact O-CB 3.5Å; W221-I224 PolarHBondContact O-N 3.48Å; Q222-I224 VanDerWaalsContact C-N 3.26Å; Q222-I224 PolarHBondContact O-N 2.7Å; I224-L236 HydrophobicContact CG2-CB 4.07Å; I224-L236 HydrophobicContact CG2-CD2 4.49Å; I224-Y237 CarbonylContact C-O 3.5Å; I224-Y237 WeakPolarHBondContact CA-O 3.28Å; I224-I290 HydrophobicContact CD1-CB 4.16Å; I224-I290 HydrophobicContact CD1-CG2 4.41Å; I224-I290 HydrophobicContact CG1-CB 4.33Å; I224-I290 HydrophobicContact CG1-CD1 4.06Å; I224-I290 HydrophobicContact CG1-CG1 4.22Å; I224-I290 HydrophobicContact CG2-CG1 4.31Å
225I97.3Very high96.7Very high0 Ų015.6 Ų15.60%09%0.089CC..EExtended strand (participates in β ladder)trans-90.5122.9174-62.3159.5000108.1V185 L193 V195 I208 V218 Q219 L220 L236 Y237 A239V185-I225 HydrophobicContact CB-CD1 4.47Å; V185-I225 HydrophobicContact CB-CG1 4.35Å; V185-I225 HydrophobicContact CG1-CG2 4.41Å; V185-I225 HydrophobicContact CG2-CD1 4.05Å; V185-I225 HydrophobicContact CG2-CG1 4.23Å; V185-I225 HydrophobicContact CG2-CG2 4.02Å; L193-I225 HydrophobicContact CD1-CG2 4.04Å; V195-I225 HydrophobicContact CG2-CD1 3.43Å; V195-I225 VanDerWaalsContact CG2-CD1 3.43Å; I208-I225 HydrophobicContact CD1-CD1 3.85Å; V218-I225 HydrophobicContact CG2-CG2 3.6Å; Q219-I225 CarbonylContact O-C 3.59Å; Q219-I225 WeakPolarHBondContact O-CA 3.33Å; L220-I225 HydrophobicContact CD1-CG1 3.62Å; I225-L236 CarbonylContact O-C 3.56Å; I225-L236 VanDerWaalsContact O-CA 3.25Å; I225-L236 WeakPolarHBondContact O-CA 3.35Å; I225-Y237 PolarHBondContact N-O 2.88Å; I225-Y237 PolarHBondContact O-N 3.49Å; I225-A239 HydrophobicContact CD1-CB 3.84Å; I225-A239 HydrophobicContact CG1-CB 3.98Å
226A98.1Very high96.8Very high4 Ų415.6 Ų15.63%0.0339%0.089CC..EExtended strand (participates in β ladder)trans-98.8114.2165.500000109.4V218 Q219 L236 L258 L267V218-A226 CarbonylContact C-O 3.54Å; V218-A226 VanDerWaalsContact CA-O 3.3Å; V218-A226 WeakPolarHBondContact CA-O 3.24Å; V218-A226 WeakPolarHBondContact CG2-O 3.4Å; Q219-A226 HydrophobicContact CB-CB 4.38Å; Q219-A226 PolarHBondContact N-O 3.23Å; Q219-A226 PolarHBondContact O-N 2.81Å; A226-L236 HydrophobicContact CB-CD2 3.5Å; A226-L236 VanDerWaalsContact CB-CD2 3.5Å; A226-L258 HydrophobicContact CB-CD1 4.41Å; A226-L267 HydrophobicContact CB-CD1 3.86Å; A226-L267 HydrophobicContact CB-CD2 3.86Å
227A98.4Very high96.7Very high0 Ų015 Ų150%09%0.085CC..EExtended strand (participates in β ladder)trans-112.4121.9179.900000110.1L193 Y229 V234 H235 Y237L193-A227 HydrophobicContact CD1-CB 3.76Å; L193-A227 HydrophobicContact CD2-CB 4.37Å; A227-Y229 HydrophobicContact CB-CE2 3.74Å; A227-V234 CarbonylContact O-C 3.46Å; A227-V234 WeakPolarHBondContact O-CA 3.45Å; A227-H235 PolarHBondContact N-O 3.32Å; A227-H235 PolarHBondContact O-N 3.14Å; A227-Y237 HydrophobicContact CB-CD2 4.47Å; A227-Y237 HydrophobicContact CB-CE2 4.1Å
228G98.2Very high96.5Very high0 Ų017.8 Ų17.80%010%0.098CC..EExtended strand (participates in β ladder)trans-99.8126.717800000110.3C215 P216 S217C215-G228 CarbonylContact C-O 3.59Å; C215-G228 WeakPolarHBondContact CA-O 3.45Å; C215-G228 PolarHBondContact SG-O 2.82Å; P216-G228 WeakPolarHBondContact CD-O 3.38Å; S217-G228 PolarHBondContact O-N 3.39Å
229Y98Very high96.2Very high4 Ų417.8 Ų17.82%0.01610%0.098CC..  trans-109159.2-172.5-69.4-83000113.5V213 P214 C215 A227 N231 G232 Q233 H235 Y237 I255V213-Y229 HydrophobicContact CB-CD1 4.27Å; V213-Y229 HydrophobicContact CG1-CD1 4.36Å; V213-Y229 WeakPolarHBondContact O-CD1 3.48Å; P214-Y229 WeakPolarHBondContact O-CA 3.18Å; C215-Y229 HydrophobicContact CB-CD1 3.89Å; C215-Y229 HydrophobicContact CB-CE1 3.76Å; A227-Y229 HydrophobicContact CB-CE2 3.74Å; Y229-N231 VanDerWaalsContact CB-OD1 3.25Å; Y229-N231 WeakPolarHBondContact CB-OD1 3.31Å; Y229-N231 PolarHBondContact O-N 3.18Å; Y229-N231 VanDerWaalsContact O-N 3.12Å; Y229-G232 PolarHBondContact O-N 3.23Å; Y229-Q233 PolarHBondContact N-O 2.81Å; Y229-H235 AromaticContact CD2-ND1 3.94Å; Y229-H235 HydrophobicContact CE2-CB 3.84Å; Y229-H235 AromaticContact CE2-CG 3.6Å; Y229-H235 AromaticContact CE2-ND1 3.37Å; Y229-H235 WeakPolarHBondContact CE2-ND1 3.11Å; Y229-Y237 HydrophobicContact CE2-CE2 4.48Å; Y229-Y237 PolarHBondContact OH-OH 2.8Å; Y229-I255 PolarHBondContact O-N 3.33Å
230G96.8Very high95.9Very high28 Ų2819.6 Ų19.629%0.28912%0.116SC..THydrogen-bonded Turntrans-63.9-11.5177.400000115.2P214 A254P214-G230 PolarHBondContact O-N 2.77Å; G230-A254 VanDerWaalsContact O-CA 3.25Å; G230-A254 WeakPolarHBondContact O-CA 3.41Å; G230-A254 WeakPolarHBondContact O-CB 3.35Å
231N96.4Very high95.7Very high70 Ų7022.8 Ų22.837%0.37414%0.136SC..THydrogen-bonded Turntrans-91.95.9173.769-8.9000113.4V213 Y229 Q233V213-N231 HydrophobicContact CG1-CB 4.09Å; Y229-N231 VanDerWaalsContact CB-OD1 3.25Å; Y229-N231 WeakPolarHBondContact CB-OD1 3.31Å; Y229-N231 PolarHBondContact O-N 3.18Å; Y229-N231 VanDerWaalsContact O-N 3.12Å; N231-Q233 VanDerWaalsContact ND2-CD 3.35Å; N231-Q233 PolarHBondContact ND2-OE1 3.15Å; N231-Q233 WeakPolarHBondContact OD1-CB 3.05Å; N231-Q233 PolarHBondContact OD1-N 2.91Å; N231-Q233 VanDerWaalsContact OD1-N 3.11Å
232G97.6Very high95.7Very high0 Ų022.6 Ų22.60%014%0.14CC..SBendtrans865179.300000115.1Y229 A250 H251 R253Y229-G232 PolarHBondContact O-N 3.23Å; G232-A250 PolarHBondContact O-N 3.33Å; G232-H251 WeakPolarHBondContact CA-O 3.12Å; G232-H251 PolarHBondContact O-N 2.84Å; G232-R253 WeakPolarHBondContact CA-O 3.17Å
233Q97.9Very high95.9Very high34 Ų3422.6 Ų22.616%0.15914%0.143CC..EExtended strand (participates in β ladder)trans-93.7140.4-179.3-61.7-178.5-27.900112.3Y229 N231 H235 Q247 I248 N249 I255Y229-Q233 PolarHBondContact N-O 2.81Å; N231-Q233 VanDerWaalsContact ND2-CD 3.35Å; N231-Q233 PolarHBondContact ND2-OE1 3.15Å; N231-Q233 WeakPolarHBondContact OD1-CB 3.05Å; N231-Q233 PolarHBondContact OD1-N 2.91Å; N231-Q233 VanDerWaalsContact OD1-N 3.11Å; Q233-H235 PolarHBondContact OE1-NE2 3.1Å; Q233-Q247 VanDerWaalsContact NE2-NE2 3.13Å; Q233-I248 CarbonylContact C-O 3.52Å; Q233-I248 VanDerWaalsContact CA-O 3.22Å; Q233-I248 WeakPolarHBondContact CA-O 3.35Å; Q233-N249 WeakPolarHBondContact CG-OD1 3.22Å; Q233-N249 PolarHBondContact NE2-OD1 3.13Å; Q233-I255 VanDerWaalsContact O-CD1 3.27Å; Q233-I255 WeakPolarHBondContact O-CD1 3.46Å
234V98.2Very high96.1Very high0 Ų025.3 Ų25.30%015%0.152CC..EExtended strand (participates in β ladder)trans-102.3125.6164.3178.70000108.1A227 L236 I248 A250 I255 L258 L267A227-V234 CarbonylContact O-C 3.46Å; A227-V234 WeakPolarHBondContact O-CA 3.45Å; V234-L236 HydrophobicContact CG1-CD2 4.08Å; V234-I248 HydrophobicContact CB-CB 4.24Å; V234-I248 HydrophobicContact CB-CD1 4.39Å; V234-I248 HydrophobicContact CG1-CD1 4.44Å; V234-I248 PolarHBondContact N-O 2.92Å; V234-I248 PolarHBondContact O-N 2.85Å; V234-A250 HydrophobicContact CG2-CB 3.96Å; V234-I255 HydrophobicContact CG2-CD1 3.49Å; V234-I255 VanDerWaalsContact CG2-CD1 3.49Å; V234-L258 HydrophobicContact CG2-CD2 4.19Å; V234-L267 HydrophobicContact CG1-CD2 3.99Å
235H97.8Very high96.1Very high12 Ų1227.7 Ų27.76%0.05616%0.163CC..EExtended strand (participates in β ladder)trans-109136.6171.6-64.3177000110.3A227 Y229 Q233 Y237 L244 V246 Q247A227-H235 PolarHBondContact N-O 3.32Å; A227-H235 PolarHBondContact O-N 3.14Å; Y229-H235 AromaticContact CD2-ND1 3.94Å; Y229-H235 HydrophobicContact CE2-CB 3.84Å; Y229-H235 AromaticContact CE2-CG 3.6Å; Y229-H235 AromaticContact CE2-ND1 3.37Å; Y229-H235 WeakPolarHBondContact CE2-ND1 3.11Å; Q233-H235 PolarHBondContact OE1-NE2 3.1Å; H235-Y237 HydrophobicContact CB-CD2 4.12Å; H235-Y237 HydrophobicContact CB-CE2 3.34Å; H235-Y237 AromaticContact ND1-CZ 3.79Å; H235-Y237 PolarHBondContact ND1-OH 2.88Å; H235-L244 HydrophobicContact CB-CD1 3.65Å; H235-V246 CarbonylContact C-O 3.55Å; H235-V246 WeakPolarHBondContact CA-O 3.46Å; H235-Q247 WeakPolarHBondContact NE2-CG 3.41Å; H235-Q247 PolarHBondContact NE2-NE2 2.77Å
236L97.7Very high96Very high0 Ų029.4 Ų29.40%017%0.173CC..EExtended strand (participates in β ladder)trans-106.1119.1172.7-56.1-169.9000110.1I224 I225 A226 V234 H245 V246 L281 I290 V292I224-L236 HydrophobicContact CG2-CB 4.07Å; I224-L236 HydrophobicContact CG2-CD2 4.49Å; I225-L236 CarbonylContact O-C 3.56Å; I225-L236 VanDerWaalsContact O-CA 3.25Å; I225-L236 WeakPolarHBondContact O-CA 3.35Å; A226-L236 HydrophobicContact CB-CD2 3.5Å; A226-L236 VanDerWaalsContact CB-CD2 3.5Å; V234-L236 HydrophobicContact CG1-CD2 4.08Å; L236-H245 PolarHBondContact O-N 3.3Å; L236-V246 HydrophobicContact CB-CB 4.08Å; L236-V246 HydrophobicContact CD1-CB 4.18Å; L236-V246 HydrophobicContact CD1-CG2 4.43Å; L236-V246 HydrophobicContact CG-CB 4.17Å; L236-V246 PolarHBondContact N-O 2.8Å; L236-V246 PolarHBondContact O-N 3.04Å; L236-L281 HydrophobicContact CD1-CD2 3.72Å; L236-I290 HydrophobicContact CB-CG2 4.41Å; L236-I290 HydrophobicContact CD1-CG1 4.11Å; L236-I290 HydrophobicContact CD1-CG2 4.28Å; L236-V292 HydrophobicContact CD1-CG2 3.29Å
237Y96.3Very high95.9Very high5 Ų534.1 Ų34.12%0.0220%0.195CC..EExtended strand (participates in β ladder)trans-113.6148.8177.8-56.1-91.2000111.3L193 I208 I224 I225 A227 Y229 H235 N243 L244L193-Y237 HydrophobicContact CD1-CD2 4.01Å; L193-Y237 HydrophobicContact CD1-CE2 3.94Å; I208-Y237 HydrophobicContact CD1-CD1 4.41Å; I208-Y237 HydrophobicContact CD1-CG 4.12Å; I208-Y237 HydrophobicContact CG2-CD1 3.68Å; I208-Y237 HydrophobicContact CG2-CE1 3.53Å; I208-Y237 HydrophobicContact CG2-CE2 4.46Å; I208-Y237 HydrophobicContact CG2-CG 4.21Å; I224-Y237 CarbonylContact C-O 3.5Å; I224-Y237 WeakPolarHBondContact CA-O 3.28Å; I225-Y237 PolarHBondContact N-O 2.88Å; I225-Y237 PolarHBondContact O-N 3.49Å; A227-Y237 HydrophobicContact CB-CD2 4.47Å; A227-Y237 HydrophobicContact CB-CE2 4.1Å; Y229-Y237 HydrophobicContact CE2-CE2 4.48Å; Y229-Y237 PolarHBondContact OH-OH 2.8Å; H235-Y237 HydrophobicContact CB-CD2 4.12Å; H235-Y237 HydrophobicContact CB-CE2 3.34Å; H235-Y237 AromaticContact ND1-CZ 3.79Å; H235-Y237 PolarHBondContact ND1-OH 2.88Å; Y237-N243 CarbonylContact C-O 3.52Å; Y237-N243 WeakPolarHBondContact CA-O 3.48Å; Y237-L244 HydrophobicContact CD1-CB 3.89Å; Y237-L244 HydrophobicContact CD1-CD1 3.97Å; Y237-L244 HydrophobicContact CE1-CB 3.78Å; Y237-L244 HydrophobicContact CE1-CD1 3.63Å; Y237-L244 HydrophobicContact CE1-CG 4.25Å; Y237-L244 HydrophobicContact CE2-CD1 4.41Å
238E94.1Very high95.9Very high58 Ų5835 Ų3527%0.27120%0.199SC..EExtended strand (participates in β ladder)trans-76.2122.4163.8177.8171.1-133.400110.1A240 T241 G242 N243 H245E238-A240 VanDerWaalsContact C-N 3.28Å; E238-A240 HydrophobicContact CG-CB 4.29Å; E238-A240 PolarHBondContact O-N 3.02Å; E238-T241 WeakPolarHBondContact CB-OG1 3.45Å; E238-T241 HydrophobicContact CG-CG2 4.44Å; E238-T241 PolarHBondContact O-N 3.09Å; E238-T241 WeakPolarHBondContact OE2-CB 3.26Å; E238-T241 WeakPolarHBondContact OE2-CG2 3.3Å; E238-T241 PolarHBondContact OE2-OG1 3.27Å; E238-G242 VanDerWaalsContact O-CA 3.28Å; E238-G242 WeakPolarHBondContact O-CA 3.44Å; E238-G242 PolarHBondContact O-N 2.96Å; E238-N243 PolarHBondContact N-O 3.07Å; E238-H245 WeakPolarHBondContact CB-NE2 3.46Å
239A93.6Very high95.9Very high1 Ų141 Ų411%0.00823%0.232CC..THydrogen-bonded Turntrans-63.9-33.5-176.200000112.9A182 V195 T206 L220 G223 I225A182-A239 HydrophobicContact CB-CB 3.92Å; V195-A239 HydrophobicContact CG1-CB 4.13Å; T206-A239 WeakPolarHBondContact CG2-O 3.39Å; L220-A239 HydrophobicContact CD1-CB 4.09Å; G223-A239 VanDerWaalsContact O-CB 3.22Å; G223-A239 WeakPolarHBondContact O-CB 3.24Å; G223-A239 PolarHBondContact O-N 3.39Å; I225-A239 HydrophobicContact CD1-CB 3.84Å; I225-A239 HydrophobicContact CG1-CB 3.98Å
240A91Very high95.9Very high58 Ų5841.2 Ų41.248%0.47923%0.234SC..THydrogen-bonded Turntrans-71.2-37-177.400000113V181 E238V181-A240 HydrophobicContact CG1-CB 4.42Å; E238-A240 VanDerWaalsContact C-N 3.28Å; E238-A240 HydrophobicContact CG-CB 4.29Å; E238-A240 PolarHBondContact O-N 3.02Å
241T91.7Very high96Very high67 Ų6740.5 Ų40.541%0.41122%0.223SC..THydrogen-bonded Turntrans-108.9-23.7-172.761.60000113E238 N243E238-T241 WeakPolarHBondContact CB-OG1 3.45Å; E238-T241 HydrophobicContact CG-CG2 4.44Å; E238-T241 PolarHBondContact O-N 3.09Å; E238-T241 WeakPolarHBondContact OE2-CB 3.26Å; E238-T241 WeakPolarHBondContact OE2-CG2 3.3Å; E238-T241 PolarHBondContact OE2-OG1 3.27Å; T241-N243 WeakPolarHBondContact OG1-CB 3.47Å; T241-N243 PolarHBondContact OG1-N 2.96Å; T241-N243 PolarHBondContact OG1-ND2 2.93Å
242G93.9Very high96Very high15 Ų1541.6 Ų41.616%0.15524%0.242CC..  trans76.67.2-169.400000114E238E238-G242 VanDerWaalsContact O-CA 3.28Å; E238-G242 WeakPolarHBondContact O-CA 3.44Å; E238-G242 PolarHBondContact O-N 2.96Å
243N94.2Very high96Very high93 Ų9348 Ų4850%0.49727%0.266SS..  trans-70134.3-179-71.3-28000111.2Y237 E238 T241Y237-N243 CarbonylContact C-O 3.52Å; Y237-N243 WeakPolarHBondContact CA-O 3.48Å; E238-N243 PolarHBondContact N-O 3.07Å; T241-N243 WeakPolarHBondContact OG1-CB 3.47Å; T241-N243 PolarHBondContact OG1-N 2.96Å; T241-N243 PolarHBondContact OG1-ND2 2.93Å
244L95.5Very high96Very high77 Ų7747.4 Ų47.440%0.40327%0.267SS..EExtended strand (participates in β ladder)trans-74.6123.3171179.766.5000109.5H235 Y237 V246H235-L244 HydrophobicContact CB-CD1 3.65Å; Y237-L244 HydrophobicContact CD1-CB 3.89Å; Y237-L244 HydrophobicContact CD1-CD1 3.97Å; Y237-L244 HydrophobicContact CE1-CB 3.78Å; Y237-L244 HydrophobicContact CE1-CD1 3.63Å; Y237-L244 HydrophobicContact CE1-CG 4.25Å; Y237-L244 HydrophobicContact CE2-CD1 4.41Å; L244-V246 WeakPolarHBondContact CD1-O 3.31Å
245H94.9Very high96Very high55 Ų5547.4 Ų47.426%0.25527%0.267SS..EExtended strand (participates in β ladder)trans-98.9-46.3174.6-74-51000112.9L236 E238 Y289 I290L236-H245 PolarHBondContact O-N 3.3Å; E238-H245 WeakPolarHBondContact CB-NE2 3.46Å; H245-Y289 AromaticContact CE1-CD1 3.47Å; H245-Y289 VanDerWaalsContact CE1-CD1 3.47Å; H245-Y289 WeakPolarHBondContact CE1-CD1 3.13Å; H245-Y289 AromaticContact CE1-CE1 3.62Å; H245-Y289 AromaticContact ND1-CD1 3.57Å; H245-Y289 AromaticContact ND1-CE1 3.88Å; H245-I290 HydrophobicContact CB-CG2 3.56Å
246V96.1Very high96Very high36 Ų3647 Ų4722%0.21827%0.266CS..EExtended strand (participates in β ladder)trans-137.3138.9-172.3-175.70000109.8H235 L236 L244 I248 I290 V292H235-V246 CarbonylContact C-O 3.55Å; H235-V246 WeakPolarHBondContact CA-O 3.46Å; L236-V246 HydrophobicContact CB-CB 4.08Å; L236-V246 HydrophobicContact CD1-CB 4.18Å; L236-V246 HydrophobicContact CD1-CG2 4.43Å; L236-V246 HydrophobicContact CG-CB 4.17Å; L236-V246 PolarHBondContact N-O 2.8Å; L236-V246 PolarHBondContact O-N 3.04Å; L244-V246 WeakPolarHBondContact CD1-O 3.31Å; V246-I248 HydrophobicContact CG1-CD1 4.31Å; V246-I248 HydrophobicContact CG1-CG1 3.73Å; V246-I290 HydrophobicContact CG2-CG2 4.01Å; V246-V292 HydrophobicContact CB-CG2 4.4Å; V246-V292 HydrophobicContact CG1-CG2 4.08Å; V246-V292 HydrophobicContact CG2-CG2 4.18Å
247Q96.6Very high96Very high103 Ų10347 Ų4748%0.48127%0.266SS..EExtended strand (participates in β ladder)trans-122.6123.3170.1175.3170.918.900108.7Q233 H235Q233-Q247 VanDerWaalsContact NE2-NE2 3.13Å; H235-Q247 WeakPolarHBondContact NE2-CG 3.41Å; H235-Q247 PolarHBondContact NE2-NE2 2.77Å
248I97.9Very high96.1Very high18 Ų1846.8 Ų46.89%0.09227%0.265CS..EExtended strand (participates in β ladder)trans-117.4121.8-175.8-47.5173.9000108Q233 V234 V246 A250 W279 V292Q233-I248 CarbonylContact C-O 3.52Å; Q233-I248 VanDerWaalsContact CA-O 3.22Å; Q233-I248 WeakPolarHBondContact CA-O 3.35Å; V234-I248 HydrophobicContact CB-CB 4.24Å; V234-I248 HydrophobicContact CB-CD1 4.39Å; V234-I248 HydrophobicContact CG1-CD1 4.44Å; V234-I248 PolarHBondContact N-O 2.92Å; V234-I248 PolarHBondContact O-N 2.85Å; V246-I248 HydrophobicContact CG1-CD1 4.31Å; V246-I248 HydrophobicContact CG1-CG1 3.73Å; I248-A250 HydrophobicContact CG2-CB 4.12Å; I248-A250 PolarHBondContact O-N 3.16Å; I248-W279 HydrophobicContact CD1-CD2 4.48Å; I248-W279 HydrophobicContact CD1-CE3 4.42Å; I248-W279 HydrophobicContact CG2-CE3 4.27Å; I248-W279 HydrophobicContact CG2-CH2 3.48Å; I248-W279 VanDerWaalsContact CG2-CH2 3.48Å; I248-W279 HydrophobicContact CG2-CZ2 3.9Å; I248-W279 HydrophobicContact CG2-CZ3 3.67Å; I248-V292 HydrophobicContact CD1-CB 4.41Å; I248-V292 HydrophobicContact CD1-CG1 3.79Å; I248-V292 HydrophobicContact CD1-CG2 4.38Å
249N97.9Very high96.3Very high127 Ų12744.8 Ų44.868%0.67926%0.256SS*.EExtended strand (participates in β ladder)trans-79.975.4167.7-64.2-45.7000108.7Q233Q233-N249 WeakPolarHBondContact CG-OD1 3.22Å; Q233-N249 PolarHBondContact NE2-OD1 3.13Å
250A97.9Very high96.5Very high8 Ų845.5 Ų45.57%0.06626%0.26CS..  trans-76.1-38.3-170.600000112.5G232 V234 I248 H277 W279G232-A250 PolarHBondContact O-N 3.33Å; V234-A250 HydrophobicContact CG2-CB 3.96Å; I248-A250 HydrophobicContact CG2-CB 4.12Å; I248-A250 PolarHBondContact O-N 3.16Å; A250-H277 PolarHBondContact O-CD2 2.54Å; A250-H277 PolarHBondContact O-NE2 2.93Å; A250-W279 HydrophobicContact CB-CH2 4.39Å; A250-W279 HydrophobicContact CB-CZ2 3.65Å
251H98.4Very high96.7Very high13 Ų1342.8 Ų42.86%0.0624%0.237CC..  trans-133.7151.8-171.9-67.9-80.5000111.6G232 R253 I255 S269 G271 D273 F275 H277G232-H251 WeakPolarHBondContact CA-O 3.12Å; G232-H251 PolarHBondContact O-N 2.84Å; H251-R253 VanDerWaalsContact C-N 3.29Å; H251-R253 WeakPolarHBondContact CB-O 3.5Å; H251-I255 HydrophobicContact CB-CG1 4.45Å; H251-S269 WeakPolarHBondContact NE2-CB 3.36Å; H251-S269 PolarHBondContact NE2-OG 2.93Å; H251-G271 PolarHBondContact CE1-N 3.49Å; H251-D273 WeakPolarHBondContact CA-OD2 3.14Å; H251-D273 VanDerWaalsContact CB-OD2 3.24Å; H251-D273 WeakPolarHBondContact CB-OD2 3.37Å; H251-D273 IonicContact CE1-OD1 2.79Å; H251-D273 IonicContact CG-OD1 3.28Å; H251-D273 IonicContact CG-OD2 3.54Å; H251-D273 IonicContact ND1-OD1 3.47Å; H251-D273 PolarHBondContact ND1-OD1 2.8Å; H251-D273 IonicContact ND1-OD2 3.79Å; H251-D273 PolarHBondContact ND1-OD2 3.21Å; H251-F275 PolarHBondContact CE1-O 2.86Å; H251-H277 AromaticContact CE1-CD2 3.57Å; H251-H277 AromaticContact NE2-CD2 3.86Å
252A97.8Very high96.7Very high94 Ų9441.4 Ų41.478%0.77723%0.23SC*.SBendtrans-81.6-10.8175.100000113D273A252-D273 HydrophobicContact CB-CB 4.27Å; A252-D273 PolarHBondContact N-OD2 3.24Å
253R97.1Very high96.5Very high133 Ų13346.3 Ų46.350%0.50225%0.248SC..SBendtrans-137.6177.5178.5-64-173.763174.7-3.8110.4G232 H251 I255 E272 D273G232-R253 WeakPolarHBondContact CA-O 3.17Å; H251-R253 VanDerWaalsContact C-N 3.29Å; H251-R253 WeakPolarHBondContact CB-O 3.5Å; R253-I255 PolarHBondContact O-N 3.07Å; R253-E272 HydrophobicContact CB-CB 3.89Å; R253-E272 IonicContact CZ-OE2 2.91Å; R253-E272 IonicContact NE-OE2 3.77Å; R253-E272 IonicContact NH2-OE2 3.29Å; R253-E272 PolarHBondContact NH2-OE2 3.27Å; R253-D273 HydrophobicContact CB-CB 4.12Å; R253-D273 HydrophobicContact CG-CB 4.15Å
254A97.1Very high96.3Very high22 Ų2243.8 Ų43.818%0.18224%0.236CC..  trans-50.6135.3-179.200000112.7G230 G271 E272G230-A254 VanDerWaalsContact O-CA 3.25Å; G230-A254 WeakPolarHBondContact O-CA 3.41Å; G230-A254 WeakPolarHBondContact O-CB 3.35Å; A254-G271 WeakPolarHBondContact O-CA 3.36Å; A254-E272 HydrophobicContact CB-CG 4.32Å; A254-E272 PolarHBondContact O-N 3.07Å
255I98.4Very high96.2Very high0 Ų040.1 Ų40.10%022%0.217CC..EExtended strand (participates in β ladder)trans-73127.8168.9-68.1167.4000108P216 Y229 Q233 V234 H251 R253 L258 A270P216-I255 WeakPolarHBondContact CB-O 3.31Å; P216-I255 WeakPolarHBondContact CG-O 3.49Å; Y229-I255 PolarHBondContact O-N 3.33Å; Q233-I255 VanDerWaalsContact O-CD1 3.27Å; Q233-I255 WeakPolarHBondContact O-CD1 3.46Å; V234-I255 HydrophobicContact CG2-CD1 3.49Å; V234-I255 VanDerWaalsContact CG2-CD1 3.49Å; H251-I255 HydrophobicContact CB-CG1 4.45Å; R253-I255 PolarHBondContact O-N 3.07Å; I255-L258 HydrophobicContact CG2-CD2 4.01Å; I255-L258 HydrophobicContact CG2-CG 4.17Å; I255-A270 WeakPolarHBondContact CA-O 3.34Å
256C97.9Very high96.3Very high4 Ų439.7 Ų39.73%0.02721%0.214CC..EExtended strand (participates in β ladder)trans-104.9-18.7179.767.20000113.1C18 N19 A270 L305C18-C256 CarbonylContact C-O 3.56Å; C18-C256 VanDerWaalsContact CA-O 3.3Å; C18-C256 WeakPolarHBondContact CA-O 3.34Å; C18-C256 VanDerWaalsContact CB-O 3.28Å; C18-C256 WeakPolarHBondContact CB-O 3.46Å; N19-C256 PolarHBondContact N-O 3.38Å; C256-A270 PolarHBondContact N-O 2.66Å; C256-A270 PolarHBondContact SG-O 2.82Å; C256-A270 VanDerWaalsContact SG-O 3.41Å; C256-L305 PolarHBondContact SG-O 2.8Å; C256-L305 VanDerWaalsContact SG-O 3.37Å
257A98.5Very high96.4Very high0 Ų038 Ų380%020%0.204CC..EExtended strand (participates in β ladder)trans-156.1140.7176.600000112.3N19 A270 A308N19-A257 WeakPolarHBondContact OD1-CA 3.47Å; A257-A270 HydrophobicContact CB-CB 4.42Å; A257-A270 PolarHBondContact N-O 2.88Å; A257-A270 PolarHBondContact O-N 2.87Å; A257-A308 HydrophobicContact CB-CB 4.13Å
258L98.7Very high96.5Very high0 Ų033.1 Ų33.10%018%0.181CC..EExtended strand (participates in β ladder)trans-119.9145.8162-64.9-176.5000109.9S217 Q219 A226 V234 I255 L268 S269S217-L258 WeakPolarHBondContact OG-CB 3.44Å; S217-L258 PolarHBondContact OG-N 2.83Å; Q219-L258 HydrophobicContact CG-CB 3.84Å; Q219-L258 PolarHBondContact NE2-O 2.7Å; A226-L258 HydrophobicContact CB-CD1 4.41Å; V234-L258 HydrophobicContact CG2-CD2 4.19Å; I255-L258 HydrophobicContact CG2-CD2 4.01Å; I255-L258 HydrophobicContact CG2-CG 4.17Å; L258-L268 VanDerWaalsContact CA-O 3.28Å; L258-L268 WeakPolarHBondContact CA-O 3.34Å; L258-S269 VanDerWaalsContact CD2-CB 3.44Å
259D98.3Very high96.6Very high17 Ų1732.2 Ų32.29%0.09118%0.177CC..EExtended strand (participates in β ladder)trans-145.7158.9170.3-161.347.4000111.8L267 L268 R309 F310D259-L267 WeakPolarHBondContact O-CA 3.41Å; D259-L268 HydrophobicContact CB-CB 4.37Å; D259-L268 HydrophobicContact CB-CD2 4.47Å; D259-L268 PolarHBondContact N-O 2.84Å; D259-L268 PolarHBondContact O-N 2.67Å; D259-R309 WeakPolarHBondContact OD1-CD 3.13Å; D259-R309 IonicContact OD1-CZ 3.65Å; D259-R309 IonicContact OD1-NE 3.02Å; D259-R309 IonicContact OD1-NH1 3.98Å; D259-R309 PolarHBondContact OD1-NH1 2.95Å; D259-R309 VanDerWaalsContact OD2-CA 3.29Å; D259-R309 WeakPolarHBondContact OD2-CA 3.42Å; D259-F310 HydrophobicContact CB-CD2 4.36Å; D259-F310 PolarHBondContact OD2-N 3.21Å
260L96.3Very high96.6Very high16 Ų1626.2 Ų26.28%0.08415%0.145CC..EExtended strand (participates in β ladder)trans-128.3131.7-173.3-176.982.2000110.6P174 Q219 L220 W221 P262 K266 L281P174-L260 HydrophobicContact CG-CD2 4.26Å; Q219-L260 HydrophobicContact CB-CB 4.4Å; Q219-L260 HydrophobicContact CG-CB 4.38Å; L220-L260 WeakPolarHBondContact O-CD2 3.3Å; W221-L260 HydrophobicContact CB-CD1 3.78Å; W221-L260 HydrophobicContact CB-CD2 3.53Å; W221-L260 HydrophobicContact CB-CG 4.28Å; W221-L260 HydrophobicContact CG-CD1 3.9Å; W221-L260 HydrophobicContact CG-CD2 3.85Å; W221-L260 HydrophobicContact CG-CG 4.4Å; L260-P262 HydrophobicContact CD2-CB 4.09Å; L260-P262 VanDerWaalsContact O-CD 3.31Å; L260-P262 WeakPolarHBondContact O-CD 3.27Å; L260-K266 CarbonylContact C-O 3.56Å; L260-K266 WeakPolarHBondContact CA-O 3.4Å; L260-L281 HydrophobicContact CD1-CD1 4.34Å
261A95.4Very high96.6Very high0 Ų025.8 Ų25.80%014%0.142CC..EExtended strand (participates in β ladder)trans-96.398.6163.700000108.3E263 V264 G265 K266 F310 S313 G315A261-E263 PolarHBondContact O-N 3.4Å; A261-V264 HydrophobicContact CB-CG2 3.97Å; A261-V264 PolarHBondContact O-N 3.03Å; A261-G265 PolarHBondContact O-N 3.22Å; A261-K266 HydrophobicContact CB-CB 4.17Å; A261-K266 PolarHBondContact N-O 2.77Å; A261-K266 PolarHBondContact O-N 2.74Å; A261-K266 VanDerWaalsContact O-N 3.16Å; A261-F310 HydrophobicContact CB-CB 4.45Å; A261-F310 HydrophobicContact CB-CD1 4.25Å; A261-F310 HydrophobicContact CB-CD2 3.71Å; A261-F310 HydrophobicContact CB-CE1 4.44Å; A261-F310 HydrophobicContact CB-CE2 3.9Å; A261-F310 HydrophobicContact CB-CG 3.88Å; A261-F310 HydrophobicContact CB-CZ 4.27Å; A261-F310 VanDerWaalsContact N-CD2 3.34Å; A261-S313 CarbonylContact C-O 3.57Å; A261-G315 VanDerWaalsContact CB-CA 3.49Å
262P91Very high96.5Very high39 Ų3927.9 Ų27.925%0.25315%0.151SC..THydrogen-bonded Turntrans-75.9-28.5-159.830.2-37.9000114.2P174 W221 L260 V264 G265P174-P262 HydrophobicContact CB-CB 3.88Å; P174-P262 HydrophobicContact CB-CG 4.11Å; P174-P262 HydrophobicContact CG-CB 3.5Å; P174-P262 VanDerWaalsContact CG-CB 3.5Å; P174-P262 HydrophobicContact CG-CG 4.06Å; W221-P262 PolarHBondContact NE1-O 2.65Å; L260-P262 HydrophobicContact CD2-CB 4.09Å; L260-P262 VanDerWaalsContact O-CD 3.31Å; L260-P262 WeakPolarHBondContact O-CD 3.27Å; P262-V264 PolarHBondContact O-N 2.7Å; P262-G265 PolarHBondContact O-N 2.95Å
263E89.8Confident96.4Very high117 Ų11724.5 Ų24.555%0.54712%0.12SC..THydrogen-bonded Turntrans-63.7-34179.7-66.8177.4-169.100111.8A261 S313A261-E263 PolarHBondContact O-N 3.4Å; E263-S313 VanDerWaalsContact OE1-CB 3.23Å; E263-S313 WeakPolarHBondContact OE1-CB 3.47Å; E263-S313 PolarHBondContact OE1-OG 2.78Å; E263-S313 PolarHBondContact OE2-OG 3.33Å
264V91.3Very high96.4Very high41 Ų4119.8 Ų19.825%0.24811%0.106CC..THydrogen-bonded Turntrans-112.41.9-177-61.90000112.6A261 P262 K266 K280 S314A261-V264 HydrophobicContact CB-CG2 3.97Å; A261-V264 PolarHBondContact O-N 3.03Å; P262-V264 PolarHBondContact O-N 2.7Å; V264-K266 VanDerWaalsContact C-N 3.29Å; V264-K266 HydrophobicContact CG2-CB 4.16Å; V264-K266 HydrophobicContact CG2-CD 3.78Å; V264-K266 HydrophobicContact CG2-CG 3.73Å; V264-K266 PolarHBondContact O-N 2.79Å; V264-K280 WeakPolarHBondContact O-CD 3.04Å; V264-K280 WeakPolarHBondContact O-CE 3.4Å; V264-K280 PolarHBondContact O-NZ 3.46Å; V264-S314 WeakPolarHBondContact CG2-O 3.26Å
265G93.7Very high96.5Very high0 Ų022.7 Ų22.70%012%0.115CC..THydrogen-bonded Turntrans5541.8-177.700000113.3W221 A261 P262 L281W221-G265 VanDerWaalsContact CE2-CA 3.44Å; W221-G265 VanDerWaalsContact CZ2-CA 3.41Å; A261-G265 PolarHBondContact O-N 3.22Å; P262-G265 PolarHBondContact O-N 2.95Å; G265-L281 WeakPolarHBondContact O-CB 3.18Å; G265-L281 PolarHBondContact O-N 2.99Å
266K96.6Very high96.4Very high45 Ų4522.7 Ų22.720%0.19612%0.115CC..EExtended strand (participates in β ladder)trans-92.7132.1170.4-70.2170.8-178.6159.90109.4L260 A261 V264 I278 W279 F310 S314 G315L260-K266 CarbonylContact C-O 3.56Å; L260-K266 WeakPolarHBondContact CA-O 3.4Å; A261-K266 HydrophobicContact CB-CB 4.17Å; A261-K266 PolarHBondContact N-O 2.77Å; A261-K266 PolarHBondContact O-N 2.74Å; A261-K266 VanDerWaalsContact O-N 3.16Å; V264-K266 VanDerWaalsContact C-N 3.29Å; V264-K266 HydrophobicContact CG2-CB 4.16Å; V264-K266 HydrophobicContact CG2-CD 3.78Å; V264-K266 HydrophobicContact CG2-CG 3.73Å; V264-K266 PolarHBondContact O-N 2.79Å; K266-I278 HydrophobicContact CB-CG2 4.23Å; K266-I278 HydrophobicContact CD-CG2 4.25Å; K266-I278 HydrophobicContact CG-CG2 4.31Å; K266-W279 CarbonylContact C-O 3.54Å; K266-W279 VanDerWaalsContact CA-O 3.26Å; K266-W279 WeakPolarHBondContact CA-O 3.39Å; K266-F310 HydrophobicContact CB-CE1 4.41Å; K266-F310 HydrophobicContact CB-CE2 4.21Å; K266-F310 HydrophobicContact CB-CZ 3.69Å; K266-F310 WeakPolarHBondContact O-CE2 3.26Å; K266-S314 PolarHBondContact NZ-O 2.94Å; K266-G315 PolarHBondContact NZ-O 3.32Å
267L98.3Very high96.5Very high0 Ų023.8 Ų23.80%012%0.12CC..EExtended strand (participates in β ladder)trans-104.1128.2171.9-178.672.2000108.8Q219 A226 V234 D259 I278 W279 L281Q219-L267 HydrophobicContact CB-CD1 4.36Å; Q219-L267 HydrophobicContact CG-CD1 4.38Å; A226-L267 HydrophobicContact CB-CD1 3.86Å; A226-L267 HydrophobicContact CB-CD2 3.86Å; V234-L267 HydrophobicContact CG1-CD2 3.99Å; D259-L267 WeakPolarHBondContact O-CA 3.41Å; L267-I278 CarbonylContact O-C 3.23Å; L267-I278 WeakPolarHBondContact O-CA 3.29Å; L267-W279 HydrophobicContact CB-CB 4.32Å; L267-W279 PolarHBondContact N-O 3.2Å; L267-W279 PolarHBondContact O-N 3.37Å; L267-L281 HydrophobicContact CB-CD1 4.18Å; L267-L281 HydrophobicContact CB-CG 4.26Å
268L98.6Very high96.5Very high1 Ų123.8 Ų23.81%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-100.1132.2170.9176.464.5000108.3L258 D259 V276 H277 I278 A308 F310 F318L258-L268 VanDerWaalsContact CA-O 3.28Å; L258-L268 WeakPolarHBondContact CA-O 3.34Å; D259-L268 HydrophobicContact CB-CB 4.37Å; D259-L268 HydrophobicContact CB-CD2 4.47Å; D259-L268 PolarHBondContact N-O 2.84Å; D259-L268 PolarHBondContact O-N 2.67Å; L268-V276 HydrophobicContact CD1-CB 4.28Å; L268-H277 CarbonylContact C-O 3.47Å; L268-H277 WeakPolarHBondContact CA-O 3.45Å; L268-I278 HydrophobicContact CD1-CD1 4.49Å; L268-I278 HydrophobicContact CD1-CG1 3.82Å; L268-A308 HydrophobicContact CD2-CB 3.83Å; L268-A308 HydrophobicContact CG-CB 4.2Å; L268-F310 HydrophobicContact CB-CD2 4.08Å; L268-F310 HydrophobicContact CB-CE1 4.45Å; L268-F310 HydrophobicContact CB-CE2 3.47Å; L268-F310 VanDerWaalsContact CB-CE2 3.47Å; L268-F310 HydrophobicContact CB-CZ 3.68Å; L268-F318 HydrophobicContact CD1-CD2 4.33Å; L268-F318 HydrophobicContact CD1-CG 4.4Å; L268-F318 HydrophobicContact CD2-CB 3.9Å; L268-F318 HydrophobicContact CD2-CD2 4.31Å; L268-F318 HydrophobicContact CD2-CG 4.29Å
269S98.8Very high96.4Very high0 Ų025 Ų250%012%0.124CC..EExtended strand (participates in β ladder)trans-124.6140.7170.567.50000111H251 L258 V276 H277 W279H251-S269 WeakPolarHBondContact NE2-CB 3.36Å; H251-S269 PolarHBondContact NE2-OG 2.93Å; L258-S269 VanDerWaalsContact CD2-CB 3.44Å; S269-V276 CarbonylContact O-C 3.54Å; S269-V276 WeakPolarHBondContact O-CA 3.47Å; S269-H277 PolarHBondContact N-O 2.87Å; S269-H277 PolarHBondContact O-N 2.78Å; S269-W279 PolarHBondContact OG-NE1 2.81Å
270A98.6Very high96.4Very high0 Ų027.4 Ų27.40%013%0.134CC..EExtended strand (participates in β ladder)trans-131.5137.1176.400000110.7I255 C256 A257 V276 L305 A308I255-A270 WeakPolarHBondContact CA-O 3.34Å; C256-A270 PolarHBondContact N-O 2.66Å; C256-A270 PolarHBondContact SG-O 2.82Å; C256-A270 VanDerWaalsContact SG-O 3.41Å; A257-A270 HydrophobicContact CB-CB 4.42Å; A257-A270 PolarHBondContact N-O 2.88Å; A257-A270 PolarHBondContact O-N 2.87Å; A270-V276 HydrophobicContact CB-CG1 3.82Å; A270-L305 HydrophobicContact CB-CD1 3.96Å; A270-A308 HydrophobicContact CB-CB 3.51Å
271G97.8Very high96.3Very high0 Ų026.7 Ų26.70%013%0.13CC..EExtended strand (participates in β ladder)trans-122.1161.6-17800000113.9H251 A254 D273 T274 F275H251-G271 PolarHBondContact CE1-N 3.49Å; A254-G271 WeakPolarHBondContact O-CA 3.36Å; G271-D273 PolarHBondContact O-N 2.83Å; G271-D273 VanDerWaalsContact O-N 3.12Å; G271-T274 PolarHBondContact O-N 3.16Å; G271-F275 PolarHBondContact N-O 2.81Å; G271-F275 VanDerWaalsContact N-O 3.12Å
272E96.6Very high96.3Very high56 Ų5628.8 Ų28.826%0.26214%0.144SC..THydrogen-bonded Turntrans-65.7-6.1168.9-65.4-171.3165.200113.4R253 A254 T274R253-E272 HydrophobicContact CB-CB 3.89Å; R253-E272 IonicContact CZ-OE2 2.91Å; R253-E272 IonicContact NE-OE2 3.77Å; R253-E272 IonicContact NH2-OE2 3.29Å; R253-E272 PolarHBondContact NH2-OE2 3.27Å; A254-E272 HydrophobicContact CB-CG 4.32Å; A254-E272 PolarHBondContact O-N 3.07Å; E272-T274 PolarHBondContact O-N 2.96Å
273D96.6Very high96.2Very high24 Ų2432.4 Ų32.413%0.12815%0.153CC..THydrogen-bonded Turntrans-80.16.4172.364.2-0.2000113H251 A252 R253 G271 F275H251-D273 WeakPolarHBondContact CA-OD2 3.14Å; H251-D273 VanDerWaalsContact CB-OD2 3.24Å; H251-D273 WeakPolarHBondContact CB-OD2 3.37Å; H251-D273 IonicContact CE1-OD1 2.79Å; H251-D273 IonicContact CG-OD1 3.28Å; H251-D273 IonicContact CG-OD2 3.54Å; H251-D273 IonicContact ND1-OD1 3.47Å; H251-D273 PolarHBondContact ND1-OD1 2.8Å; H251-D273 IonicContact ND1-OD2 3.79Å; H251-D273 PolarHBondContact ND1-OD2 3.21Å; A252-D273 HydrophobicContact CB-CB 4.27Å; A252-D273 PolarHBondContact N-OD2 3.24Å; R253-D273 HydrophobicContact CB-CB 4.12Å; R253-D273 HydrophobicContact CG-CB 4.15Å; G271-D273 PolarHBondContact O-N 2.83Å; G271-D273 VanDerWaalsContact O-N 3.12Å; D273-F275 HydrophobicContact CB-CD2 4.47Å; D273-F275 VanDerWaalsContact O-CD2 3.26Å; D273-F275 WeakPolarHBondContact O-CD2 3.44Å; D273-F275 PolarHBondContact O-N 2.84Å; D273-F275 PolarHBondContact OD1-N 3.24Å; D273-F275 VanDerWaalsContact OD1-N 3.12Å
274T96.6Very high96.1Very high34 Ų3427.4 Ų27.421%0.20913%0.131CC..SBendtrans73.12.2179.680.50000114.6G271 E272 V300 T303G271-T274 PolarHBondContact O-N 3.16Å; E272-T274 PolarHBondContact O-N 2.96Å; T274-V300 PolarHBondContact O-N 2.89Å; T274-T303 VanDerWaalsContact CG2-O 3.23Å; T274-T303 WeakPolarHBondContact CG2-O 3.36Å
275F97.9Very high95.9Very high82 Ų8231.9 Ų31.936%0.3616%0.161SC..EExtended strand (participates in β ladder)trans-92.1148177.9-76-93.6000111.7H251 G271 D273 E298 C299 L305H251-F275 PolarHBondContact CE1-O 2.86Å; G271-F275 PolarHBondContact N-O 2.81Å; G271-F275 VanDerWaalsContact N-O 3.12Å; D273-F275 HydrophobicContact CB-CD2 4.47Å; D273-F275 VanDerWaalsContact O-CD2 3.26Å; D273-F275 WeakPolarHBondContact O-CD2 3.44Å; D273-F275 PolarHBondContact O-N 2.84Å; D273-F275 PolarHBondContact OD1-N 3.24Å; D273-F275 VanDerWaalsContact OD1-N 3.12Å; F275-E298 WeakPolarHBondContact CA-O 3.45Å; F275-C299 HydrophobicContact CD1-CB 4.15Å; F275-C299 HydrophobicContact CE1-CB 3.71Å; F275-C299 HydrophobicContact CZ-CB 3.96Å; F275-L305 WeakPolarHBondContact O-CD1 3.23Å
276V98.1Very high95.6Very high0 Ų041 Ų410%020%0.204CC..EExtended strand (participates in β ladder)trans-118.2143.2159.8-61.90000110.1L268 S269 A270 G297 E298 V300 L305 F318 V320L268-V276 HydrophobicContact CD1-CB 4.28Å; S269-V276 CarbonylContact O-C 3.54Å; S269-V276 WeakPolarHBondContact O-CA 3.47Å; A270-V276 HydrophobicContact CB-CG1 3.82Å; V276-G297 VanDerWaalsContact O-CA 3.3Å; V276-G297 WeakPolarHBondContact O-CA 3.42Å; V276-E298 HydrophobicContact CG2-CB 3.72Å; V276-E298 PolarHBondContact N-O 3.03Å; V276-E298 PolarHBondContact O-N 2.82Å; V276-V300 HydrophobicContact CG1-CG2 4.47Å; V276-V300 HydrophobicContact CG2-CG2 4.5Å; V276-L305 HydrophobicContact CG1-CD1 3.57Å; V276-F318 HydrophobicContact CG2-CE2 3.8Å; V276-F318 HydrophobicContact CG2-CZ 3.82Å; V276-V320 HydrophobicContact CG1-CG1 3.88Å
277H98.5Very high95.1Very high28 Ų2842 Ų4213%0.1322%0.216CC..EExtended strand (participates in β ladder)trans-128.4144.7176.2-68.8-54000111.2A250 H251 L268 S269 W279 H294 H296 G297A250-H277 PolarHBondContact O-CD2 2.54Å; A250-H277 PolarHBondContact O-NE2 2.93Å; H251-H277 AromaticContact CE1-CD2 3.57Å; H251-H277 AromaticContact NE2-CD2 3.86Å; L268-H277 CarbonylContact C-O 3.47Å; L268-H277 WeakPolarHBondContact CA-O 3.45Å; S269-H277 PolarHBondContact N-O 2.87Å; S269-H277 PolarHBondContact O-N 2.78Å; H277-W279 HydrophobicContact CB-CZ2 3.56Å; H277-W279 AromaticContact CG-CZ2 3.93Å; H277-H294 AromaticContact CE1-NE2 3.86Å; H277-H294 AromaticContact CG-NE2 3.64Å; H277-H294 AromaticContact ND1-CE1 3.86Å; H277-H294 AromaticContact ND1-NE2 3.07Å; H277-H294 PolarHBondContact ND1-NE2 2.82Å; H277-H296 WeakPolarHBondContact CA-O 3.5Å; H277-G297 VanDerWaalsContact ND1-CA 3.31Å; H277-G297 WeakPolarHBondContact ND1-CA 3.19Å
278I98.3Very high94.4Very high0 Ų044 Ų440%024%0.237CC..EExtended strand (participates in β ladder)trans-117.5127.6173.5-62.5172.6000108.3F2 K266 L267 L268 C295 H296 F310 F318F2-I278 HydrophobicContact CD1-CD1 4.39Å; F2-I278 HydrophobicContact CD2-CD1 3.62Å; F2-I278 HydrophobicContact CE1-CD1 4.04Å; F2-I278 HydrophobicContact CE2-CD1 3.24Å; F2-I278 HydrophobicContact CG-CD1 4.2Å; F2-I278 HydrophobicContact CZ-CD1 3.47Å; F2-I278 VanDerWaalsContact CZ-CD1 3.47Å; K266-I278 HydrophobicContact CB-CG2 4.23Å; K266-I278 HydrophobicContact CD-CG2 4.25Å; K266-I278 HydrophobicContact CG-CG2 4.31Å; L267-I278 CarbonylContact O-C 3.23Å; L267-I278 WeakPolarHBondContact O-CA 3.29Å; L268-I278 HydrophobicContact CD1-CD1 4.49Å; L268-I278 HydrophobicContact CD1-CG1 3.82Å; I278-C295 HydrophobicContact CG2-CB 4.28Å; I278-C295 PolarHBondContact O-N 3.14Å; I278-H296 HydrophobicContact CB-CB 4.25Å; I278-H296 PolarHBondContact N-O 2.76Å; I278-H296 PolarHBondContact O-N 3.38Å; I278-F310 HydrophobicContact CD1-CE1 4.31Å; I278-F310 HydrophobicContact CG2-CZ 4.34Å; I278-F318 HydrophobicContact CD1-CD1 3.75Å; I278-F318 HydrophobicContact CD1-CE1 3.74Å
279W98.2Very high93.9Very high25 Ų2550.8 Ų50.810%0.09526%0.264CS..EExtended strand (participates in β ladder)trans-117.6140.2-179.7-42.486.8000108.9I248 A250 K266 L267 S269 H277 V292 E293 H294I248-W279 HydrophobicContact CD1-CD2 4.48Å; I248-W279 HydrophobicContact CD1-CE3 4.42Å; I248-W279 HydrophobicContact CG2-CE3 4.27Å; I248-W279 HydrophobicContact CG2-CH2 3.48Å; I248-W279 VanDerWaalsContact CG2-CH2 3.48Å; I248-W279 HydrophobicContact CG2-CZ2 3.9Å; I248-W279 HydrophobicContact CG2-CZ3 3.67Å; A250-W279 HydrophobicContact CB-CH2 4.39Å; A250-W279 HydrophobicContact CB-CZ2 3.65Å; K266-W279 CarbonylContact C-O 3.54Å; K266-W279 VanDerWaalsContact CA-O 3.26Å; K266-W279 WeakPolarHBondContact CA-O 3.39Å; L267-W279 HydrophobicContact CB-CB 4.32Å; L267-W279 PolarHBondContact N-O 3.2Å; L267-W279 PolarHBondContact O-N 3.37Å; S269-W279 PolarHBondContact OG-NE1 2.81Å; H277-W279 HydrophobicContact CB-CZ2 3.56Å; H277-W279 AromaticContact CG-CZ2 3.93Å; W279-V292 HydrophobicContact CB-CG1 3.84Å; W279-V292 HydrophobicContact CE3-CG1 4.15Å; W279-V292 HydrophobicContact CG-CG1 4.47Å; W279-E293 CarbonylContact C-O 3.58Å; W279-E293 WeakPolarHBondContact CA-O 3.32Å; W279-H294 HydrophobicContact CE3-CB 3.85Å; W279-H294 AromaticContact CE3-CD2 3.66Å; W279-H294 AromaticContact CH2-CD2 3.51Å; W279-H294 AromaticContact CZ2-CD2 3.91Å; W279-H294 HydrophobicContact CZ3-CB 3.68Å; W279-H294 AromaticContact CZ3-CD2 3.39Å; W279-H294 WeakPolarHBondContact CZ3-CD2 3.12Å; W279-H294 AromaticContact CZ3-CG 3.86Å
280K96.8Very high93.6Very high67 Ų6751.3 Ų51.329%0.29127%0.266SS..EExtended strand (participates in β ladder)trans-96.7124.3169.2173.170.1174.3-171.40108.4V264 V292 E293 C295V264-K280 WeakPolarHBondContact O-CD 3.04Å; V264-K280 WeakPolarHBondContact O-CE 3.4Å; V264-K280 PolarHBondContact O-NZ 3.46Å; K280-V292 WeakPolarHBondContact O-CA 3.48Å; K280-E293 HydrophobicContact CB-CB 4.32Å; K280-E293 PolarHBondContact N-O 2.9Å; K280-E293 PolarHBondContact O-N 2.83Å; K280-C295 WeakPolarHBondContact CB-SG 3.45Å
281L95.7Very high93.4Very high2 Ų255.9 Ų55.91%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-96.2131.8172.9-53.7-175.6000108.7W221 L236 L260 G265 L267 I290 V292W221-L281 HydrophobicContact CE3-CB 3.76Å; W221-L281 HydrophobicContact CE3-CD1 3.98Å; W221-L281 HydrophobicContact CH2-CB 4.18Å; W221-L281 WeakPolarHBondContact CH2-O 3.46Å; W221-L281 HydrophobicContact CZ3-CB 3.52Å; L236-L281 HydrophobicContact CD1-CD2 3.72Å; L260-L281 HydrophobicContact CD1-CD1 4.34Å; G265-L281 WeakPolarHBondContact O-CB 3.18Å; G265-L281 PolarHBondContact O-N 2.99Å; L267-L281 HydrophobicContact CB-CD1 4.18Å; L267-L281 HydrophobicContact CB-CG 4.26Å; L281-I290 HydrophobicContact CB-CD1 4.12Å; L281-V292 HydrophobicContact CD2-CB 4.46Å; L281-V292 HydrophobicContact CD2-CG1 4.06Å; L281-V292 HydrophobicContact CD2-CG2 3.83Å
282S93.9Very high93.4Very high43 Ų4358 Ų5830%0.30130%0.3SS..EExtended strand (participates in β ladder)trans-147.4140.9176.347.20000111.2E291S282-E291 PolarHBondContact N-O 2.52Å; S282-E291 PolarHBondContact O-N 3.24Å
283R89.3Confident93.4Very high116 Ų11661.1 Ų61.144%0.43832%0.315SS..EExtended strand (participates in β ladder)trans-83.5126.7171.2-71.9175.8173-115.12.6109.5Q222 P285 Y289 I290Q222-R283 PolarHBondContact O-NH2 2.56Å; R283-P285 WeakPolarHBondContact O-CD 3.5Å; R283-Y289 WeakPolarHBondContact CA-O 3.17Å; R283-I290 HydrophobicContact CG-CD1 4.39Å
284S88Confident93.4Very high11 Ų1164.3 Ų64.38%0.07733%0.329CS..  trans-61.3121.4173.9-168.90000109.9E286 S287 G288 Y289 E291S284-E286 PolarHBondContact O-N 3Å; S284-S287 WeakPolarHBondContact CB-OG 3.02Å; S284-S287 PolarHBondContact OG-OG 2.83Å; S284-G288 VanDerWaalsContact O-CA 3.26Å; S284-G288 WeakPolarHBondContact O-CA 3.37Å; S284-G288 PolarHBondContact O-N 2.84Å; S284-Y289 WeakPolarHBondContact CB-O 3.34Å; S284-Y289 PolarHBondContact N-O 2.83Å; S284-E291 WeakPolarHBondContact CB-OE1 3.41Å; S284-E291 PolarHBondContact OG-OE1 3.05Å
285P86.1Confident93.4Very high136 Ų13665.6 Ų65.688%0.88334%0.339SS*.THydrogen-bonded Turntrans-63.4-27177.6-23.134.2000113.2R283R283-P285 WeakPolarHBondContact O-CD 3.5Å
286E88.3Confident93.3Very high192 Ų19262.6 Ų62.690%0.89733%0.326SS*.THydrogen-bonded Turntrans-83.9-45.8-177.1-61.9-175.7177.400112.2S284S284-E286 PolarHBondContact O-N 3Å
287S86.3Confident93.3Very high64 Ų6464 Ų6445%0.44834%0.341SS..THydrogen-bonded Turntrans-103.4-18.1-172.471.10000114.3S284 Y289S284-S287 WeakPolarHBondContact CB-OG 3.02Å; S284-S287 PolarHBondContact OG-OG 2.83Å; S287-Y289 PolarHBondContact O-N 2.97Å; S287-Y289 PolarHBondContact OG-N 3.07Å
288G83.6Confident93.2Very high44 Ų4465.4 Ų65.445%0.45435%0.347SS..  trans74.4-7.9-173.300000114.8S284S284-G288 VanDerWaalsContact O-CA 3.26Å; S284-G288 WeakPolarHBondContact O-CA 3.37Å; S284-G288 PolarHBondContact O-N 2.84Å
289Y87.3Confident93.1Very high143 Ų14367.8 Ų67.856%0.56136%0.363SS*.  trans-72.5154.8178.8-70-63.4000112.5H245 R283 S284 S287H245-Y289 AromaticContact CE1-CD1 3.47Å; H245-Y289 VanDerWaalsContact CE1-CD1 3.47Å; H245-Y289 WeakPolarHBondContact CE1-CD1 3.13Å; H245-Y289 AromaticContact CE1-CE1 3.62Å; H245-Y289 AromaticContact ND1-CD1 3.57Å; H245-Y289 AromaticContact ND1-CE1 3.88Å; R283-Y289 WeakPolarHBondContact CA-O 3.17Å; S284-Y289 WeakPolarHBondContact CB-O 3.34Å; S284-Y289 PolarHBondContact N-O 2.83Å; S287-Y289 PolarHBondContact O-N 2.97Å; S287-Y289 PolarHBondContact OG-N 3.07Å
290I93.4Very high92.9Very high10 Ų1066.7 Ų66.75%0.05136%0.359CS..EExtended strand (participates in β ladder)trans-74.7126.3172.6-165.966.8000110W221 I224 L236 H245 V246 L281 R283W221-I290 HydrophobicContact CE3-CD1 4.38Å; W221-I290 HydrophobicContact CZ3-CD1 3.81Å; I224-I290 HydrophobicContact CD1-CB 4.16Å; I224-I290 HydrophobicContact CD1-CG2 4.41Å; I224-I290 HydrophobicContact CG1-CB 4.33Å; I224-I290 HydrophobicContact CG1-CD1 4.06Å; I224-I290 HydrophobicContact CG1-CG1 4.22Å; I224-I290 HydrophobicContact CG2-CG1 4.31Å; L236-I290 HydrophobicContact CB-CG2 4.41Å; L236-I290 HydrophobicContact CD1-CG1 4.11Å; L236-I290 HydrophobicContact CD1-CG2 4.28Å; H245-I290 HydrophobicContact CB-CG2 3.56Å; V246-I290 HydrophobicContact CG2-CG2 4.01Å; L281-I290 HydrophobicContact CB-CD1 4.12Å; R283-I290 HydrophobicContact CG-CD1 4.39Å
291E94.2Very high92.6Very high96 Ų9666.5 Ų66.545%0.44937%0.366SS..EExtended strand (participates in β ladder)trans-106149170.9-67.6175-171.700109S282 S284S282-E291 PolarHBondContact N-O 2.52Å; S282-E291 PolarHBondContact O-N 3.24Å; S284-E291 WeakPolarHBondContact CB-OE1 3.41Å; S284-E291 PolarHBondContact OG-OE1 3.05Å
292V96.7Very high92.3Very high44 Ų4474.5 Ų74.527%0.26741%0.409SS..EExtended strand (participates in β ladder)trans-131.6127.2-178.7-170.60000109.8L236 V246 I248 W279 K280 L281L236-V292 HydrophobicContact CD1-CG2 3.29Å; V246-V292 HydrophobicContact CB-CG2 4.4Å; V246-V292 HydrophobicContact CG1-CG2 4.08Å; V246-V292 HydrophobicContact CG2-CG2 4.18Å; I248-V292 HydrophobicContact CD1-CB 4.41Å; I248-V292 HydrophobicContact CD1-CG1 3.79Å; I248-V292 HydrophobicContact CD1-CG2 4.38Å; W279-V292 HydrophobicContact CB-CG1 3.84Å; W279-V292 HydrophobicContact CE3-CG1 4.15Å; W279-V292 HydrophobicContact CG-CG1 4.47Å; K280-V292 WeakPolarHBondContact O-CA 3.48Å; L281-V292 HydrophobicContact CD2-CB 4.46Å; L281-V292 HydrophobicContact CD2-CG1 4.06Å; L281-V292 HydrophobicContact CD2-CG2 3.83Å
293E97.1Very high92.3Very high123 Ų12372.7 Ų72.758%0.57540%0.396SS*.EExtended strand (participates in β ladder)trans-116.1133.7174.8-176.5-171.9172.900109.8W279 K280 C295W279-E293 CarbonylContact C-O 3.58Å; W279-E293 WeakPolarHBondContact CA-O 3.32Å; K280-E293 HydrophobicContact CB-CB 4.32Å; K280-E293 PolarHBondContact N-O 2.9Å; K280-E293 PolarHBondContact O-N 2.83Å; E293-C295 PolarHBondContact O-N 2.89Å
294H97.6Very high92.6Very high91 Ų9170.8 Ų70.842%0.42139%0.392SS..EExtended strand (participates in β ladder)trans-78.6117.4170.7-175.3-113.7000110H277 W279 H296H277-H294 AromaticContact CE1-NE2 3.86Å; H277-H294 AromaticContact CG-NE2 3.64Å; H277-H294 AromaticContact ND1-CE1 3.86Å; H277-H294 AromaticContact ND1-NE2 3.07Å; H277-H294 PolarHBondContact ND1-NE2 2.82Å; W279-H294 HydrophobicContact CE3-CB 3.85Å; W279-H294 AromaticContact CE3-CD2 3.66Å; W279-H294 AromaticContact CH2-CD2 3.51Å; W279-H294 AromaticContact CZ2-CD2 3.91Å; W279-H294 HydrophobicContact CZ3-CB 3.68Å; W279-H294 AromaticContact CZ3-CD2 3.39Å; W279-H294 WeakPolarHBondContact CZ3-CD2 3.12Å; W279-H294 AromaticContact CZ3-CG 3.86Å; H294-H296 PolarHBondContact NE2-O 2.96Å; H294-H296 VanDerWaalsContact NE2-O 3.12Å
295C95.9Very high93Very high61 Ų6170.4 Ų70.441%0.41239%0.389SS..EExtended strand (participates in β ladder)trans-98.1-34.3-176.4-59.20000113.1I278 K280 E293I278-C295 HydrophobicContact CG2-CB 4.28Å; I278-C295 PolarHBondContact O-N 3.14Å; K280-C295 WeakPolarHBondContact CB-SG 3.45Å; E293-C295 PolarHBondContact O-N 2.89Å
296H96.6Very high93.5Very high18 Ų1864 Ų648%0.08335%0.348CS..EExtended strand (participates in β ladder)trans-161.3147.2-173.7-176.961.3000111.7F2 H277 I278 H294 E298F2-H296 HydrophobicContact CD2-CB 4.12Å; F2-H296 AromaticContact CD2-CD2 3.63Å; F2-H296 AromaticContact CD2-CG 3.86Å; H277-H296 WeakPolarHBondContact CA-O 3.5Å; I278-H296 HydrophobicContact CB-CB 4.25Å; I278-H296 PolarHBondContact N-O 2.76Å; I278-H296 PolarHBondContact O-N 3.38Å; H294-H296 PolarHBondContact NE2-O 2.96Å; H294-H296 VanDerWaalsContact NE2-O 3.12Å; H296-E298 IonicContact CE1-OE2 2.77Å; H296-E298 IonicContact NE2-OE2 3.92Å
297G96.6Very high94Very high30 Ų3054.9 Ų54.931%0.30931%0.305SS..EExtended strand (participates in β ladder)trans-135.9139.3166.200000109.8V276 H277V276-G297 VanDerWaalsContact O-CA 3.3Å; V276-G297 WeakPolarHBondContact O-CA 3.42Å; H277-G297 VanDerWaalsContact ND1-CA 3.31Å; H277-G297 WeakPolarHBondContact ND1-CA 3.19Å
298E96.4Very high94.5Very high58 Ų5851.9 Ų51.927%0.27129%0.285SS..EExtended strand (participates in β ladder)trans-135135.5179.4-172.564.4-162.100109.7F275 V276 H296 F331F275-E298 WeakPolarHBondContact CA-O 3.45Å; V276-E298 HydrophobicContact CG2-CB 3.72Å; V276-E298 PolarHBondContact N-O 3.03Å; V276-E298 PolarHBondContact O-N 2.82Å; H296-E298 IonicContact CE1-OE2 2.77Å; H296-E298 IonicContact NE2-OE2 3.92Å; E298-F331 HydrophobicContact CG-CD1 4.13Å; E298-F331 HydrophobicContact CG-CE1 3.6Å; E298-F331 HydrophobicContact CG-CZ 4.26Å
299C96.4Very high95.2Very high50 Ų5050.9 Ų50.934%0.33827%0.267SS..EExtended strand (participates in β ladder)trans-93.5116.1173.7178.30000109.1F275 S301F275-C299 HydrophobicContact CD1-CB 4.15Å; F275-C299 HydrophobicContact CE1-CB 3.71Å; F275-C299 HydrophobicContact CZ-CB 3.96Å; C299-S301 PolarHBondContact O-N 2.85Å
300V95.2Very high95.7Very high2 Ų244.5 Ų44.51%0.01224%0.242CC..  trans-91.479.7173.8-171.10000107.7T274 V276 T303 L305 V320 R329 F331T274-V300 PolarHBondContact O-N 2.89Å; V276-V300 HydrophobicContact CG1-CG2 4.47Å; V276-V300 HydrophobicContact CG2-CG2 4.5Å; V300-T303 HydrophobicContact CG1-CG2 4.34Å; V300-T303 WeakPolarHBondContact O-CB 3.48Å; V300-L305 HydrophobicContact CB-CD2 4.03Å; V300-L305 HydrophobicContact CG1-CD2 4.08Å; V300-L305 HydrophobicContact CG2-CD2 4.26Å; V300-V320 HydrophobicContact CG1-CG2 4.23Å; V300-V320 HydrophobicContact CG2-CG2 4.24Å; V300-R329 VanDerWaalsContact CG1-NH1 3.35Å; V300-F331 HydrophobicContact CG2-CE2 4.46Å; V300-F331 HydrophobicContact CG2-CZ 4.12Å
301S90.6Very high95.8Very high62 Ų6244.1 Ų44.143%0.43424%0.24SC..THydrogen-bonded Turntrans-55.2146.8-169.9-52.10000113.5C299 T303 R329C299-S301 PolarHBondContact O-N 2.85Å; S301-T303 PolarHBondContact O-N 2.85Å; S301-T303 PolarHBondContact O-OG1 2.86Å; S301-T303 VanDerWaalsContact O-OG1 3.05Å; S301-R329 PolarHBondContact O-NH1 2.89Å
302D89.3Confident95.6Very high170 Ų17040.2 Ų40.291%0.90922%0.223SC*.THydrogen-bonded Turntrans5629.8175.9-51.2-51.2000114.3
303T93.5Very high95.1Very high5 Ų540.1 Ų40.13%0.03122%0.224CC..  trans-134.4118-175.4-550000110.9T274 V300 S301 L305 L325 R329T274-T303 VanDerWaalsContact CG2-O 3.23Å; T274-T303 WeakPolarHBondContact CG2-O 3.36Å; V300-T303 HydrophobicContact CG1-CG2 4.34Å; V300-T303 WeakPolarHBondContact O-CB 3.48Å; S301-T303 PolarHBondContact O-N 2.85Å; S301-T303 PolarHBondContact O-OG1 2.86Å; S301-T303 VanDerWaalsContact O-OG1 3.05Å; T303-L305 HydrophobicContact CG2-CD2 4.03Å; T303-L305 PolarHBondContact O-N 3.27Å; T303-L325 HydrophobicContact CG2-CB 4.18Å; T303-L325 HydrophobicContact CG2-CD2 3.79Å; T303-R329 PolarHBondContact OG1-NH1 3.47Å
304Q94.6Very high94.8Very high77 Ų7736.5 Ų36.536%0.3621%0.212SC..EExtended strand (participates in β ladder)trans-74.5106.6164.3-179.7179.92.400108.4G322 Y323Q304-G322 CarbonylContact O-C 3.57Å; Q304-G322 WeakPolarHBondContact O-CA 3.46Å; Q304-Y323 PolarHBondContact O-N 3.36Å
305L97.6Very high94.5Very high2 Ų232.1 Ų32.11%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-64.4142.1-178.7-62.5177.9000111.2C256 A270 F275 V276 V300 T303 V320 T321C256-L305 PolarHBondContact SG-O 2.8Å; C256-L305 VanDerWaalsContact SG-O 3.37Å; A270-L305 HydrophobicContact CB-CD1 3.96Å; F275-L305 WeakPolarHBondContact O-CD1 3.23Å; V276-L305 HydrophobicContact CG1-CD1 3.57Å; V300-L305 HydrophobicContact CB-CD2 4.03Å; V300-L305 HydrophobicContact CG1-CD2 4.08Å; V300-L305 HydrophobicContact CG2-CD2 4.26Å; T303-L305 HydrophobicContact CG2-CD2 4.03Å; T303-L305 PolarHBondContact O-N 3.27Å; L305-V320 HydrophobicContact CD2-CB 4.11Å; L305-V320 HydrophobicContact CD2-CG2 4.18Å; L305-T321 WeakPolarHBondContact CA-O 3.39Å
306C96.9Very high94.4Very high3 Ų331.2 Ų31.22%0.0219%0.186CC..EExtended strand (participates in β ladder)trans-123.8-28.8178.3-59.20000112A14 L17 C18 N19 N20 T321 Y323A14-C306 HydrophobicContact CB-CB 4.47Å; L17-C306 CarbonylContact O-C 3.59Å; L17-C306 WeakPolarHBondContact O-CB 3.27Å; C18-C306 CarbonylContact C-O 3.56Å; N19-C306 PolarHBondContact N-O 2.91Å; N20-C306 HydrophobicContact CB-CB 4.04Å; N20-C306 PolarHBondContact N-O 3.12Å; C306-T321 PolarHBondContact N-O 2.88Å; C306-Y323 PolarHBondContact SG-N 2.67Å
307G97.6Very high94.3Very high0 Ų030.6 Ų30.60%018%0.183CC..EExtended strand (participates in β ladder)trans-150.3147.4179.500000111.2V320 T321G307-V320 CarbonylContact O-C 3.54Å; G307-V320 VanDerWaalsContact O-CA 3.26Å; G307-V320 WeakPolarHBondContact O-CA 3.38Å; G307-T321 WeakPolarHBondContact CA-OG1 3.18Å; G307-T321 PolarHBondContact N-O 3.36Å; G307-T321 PolarHBondContact N-OG1 3.01Å; G307-T321 VanDerWaalsContact N-OG1 3.15Å; G307-T321 PolarHBondContact O-N 3.08Å
308A98.4Very high94.3Very high1 Ų129.1 Ų29.11%0.00817%0.169CC..EExtended strand (participates in β ladder)trans-146.7132.7172.900000108.5A257 L268 A270 A319 V320A257-A308 HydrophobicContact CB-CB 4.13Å; L268-A308 HydrophobicContact CD2-CB 3.83Å; L268-A308 HydrophobicContact CG-CB 4.2Å; A270-A308 HydrophobicContact CB-CB 3.51Å; A308-A319 WeakPolarHBondContact CA-O 3.49Å; A308-V320 HydrophobicContact CB-CG1 4.07Å
309R98.2Very high94.3Very high23 Ų2326.4 Ų26.49%0.08716%0.156CC..EExtended strand (participates in β ladder)trans-146.1144179.4-67.9-66.7-177163.2-8.7110.1L21 V23 D259 F318 A319L21-R309 HydrophobicContact CB-CG 4.13Å; L21-R309 HydrophobicContact CD2-CB 4.08Å; L21-R309 HydrophobicContact CD2-CG 4.24Å; L21-R309 HydrophobicContact CG-CB 4.2Å; L21-R309 HydrophobicContact CG-CG 3.93Å; L21-R309 WeakPolarHBondContact O-CG 3.33Å; L21-R309 PolarHBondContact O-NE 3.11Å; V23-R309 HydrophobicContact CB-CB 4.33Å; V23-R309 HydrophobicContact CG2-CB 3.59Å; V23-R309 HydrophobicContact CG2-CG 4.16Å; D259-R309 WeakPolarHBondContact OD1-CD 3.13Å; D259-R309 IonicContact OD1-CZ 3.65Å; D259-R309 IonicContact OD1-NE 3.02Å; D259-R309 IonicContact OD1-NH1 3.98Å; D259-R309 PolarHBondContact OD1-NH1 2.95Å; D259-R309 VanDerWaalsContact OD2-CA 3.29Å; D259-R309 WeakPolarHBondContact OD2-CA 3.42Å; R309-F318 CarbonylContact O-C 3.57Å; R309-F318 VanDerWaalsContact O-CA 3.27Å; R309-F318 WeakPolarHBondContact O-CA 3.43Å; R309-F318 WeakPolarHBondContact O-CB 3.46Å; R309-A319 PolarHBondContact N-O 3.25Å; R309-A319 PolarHBondContact O-N 3.04Å
310F97.1Very high94.4Very high9 Ų924 Ų244%0.03914%0.14CC..EExtended strand (participates in β ladder)trans-62.2139.3161.3-71.8-71.6000109.5D259 A261 K266 L268 I278 D312 S317 F318D259-F310 HydrophobicContact CB-CD2 4.36Å; D259-F310 PolarHBondContact OD2-N 3.21Å; A261-F310 HydrophobicContact CB-CB 4.45Å; A261-F310 HydrophobicContact CB-CD1 4.25Å; A261-F310 HydrophobicContact CB-CD2 3.71Å; A261-F310 HydrophobicContact CB-CE1 4.44Å; A261-F310 HydrophobicContact CB-CE2 3.9Å; A261-F310 HydrophobicContact CB-CG 3.88Å; A261-F310 HydrophobicContact CB-CZ 4.27Å; A261-F310 VanDerWaalsContact N-CD2 3.34Å; K266-F310 HydrophobicContact CB-CE1 4.41Å; K266-F310 HydrophobicContact CB-CE2 4.21Å; K266-F310 HydrophobicContact CB-CZ 3.69Å; K266-F310 WeakPolarHBondContact O-CE2 3.26Å; L268-F310 HydrophobicContact CB-CD2 4.08Å; L268-F310 HydrophobicContact CB-CE1 4.45Å; L268-F310 HydrophobicContact CB-CE2 3.47Å; L268-F310 VanDerWaalsContact CB-CE2 3.47Å; L268-F310 HydrophobicContact CB-CZ 3.68Å; I278-F310 HydrophobicContact CD1-CE1 4.31Å; I278-F310 HydrophobicContact CG2-CZ 4.34Å; F310-D312 VanDerWaalsContact C-N 3.29Å; F310-S317 WeakPolarHBondContact CA-O 3.32Å; F310-F318 HydrophobicContact CD1-CB 4.07Å
311C94.4Very high94.5Very high1 Ų123.9 Ų23.91%0.00714%0.139CC..SBendtrans-83.6-13.4175.8-71.50000111.5Q25 S317 A319Q25-C311 WeakPolarHBondContact CG-O 3.23Å; Q25-C311 PolarHBondContact NE2-O 3.11Å; C311-S317 VanDerWaalsContact CB-OG 3.24Å; C311-S317 WeakPolarHBondContact CB-OG 3.42Å; C311-S317 PolarHBondContact N-O 2.8Å; C311-A319 VanDerWaalsContact SG-CB 3.55Å
312D90.4Very high94.8Very high15 Ų1521 Ų218%0.0812%0.119CC..SBendtrans-151154.6-176.567.383.2000113.9Q25 F310 S314 G315 S316 S317Q25-D312 VanDerWaalsContact CD-CA 3.45Å; F310-D312 VanDerWaalsContact C-N 3.29Å; D312-S314 PolarHBondContact O-N 3.26Å; D312-S314 VanDerWaalsContact OD1-C 3.27Å; D312-S314 WeakPolarHBondContact OD1-CA 3.39Å; D312-S314 WeakPolarHBondContact OD1-CB 3.49Å; D312-S314 PolarHBondContact OD1-N 3.35Å; D312-S314 VanDerWaalsContact OD1-N 3.08Å; D312-S314 PolarHBondContact OD1-OG 2.89Å; D312-G315 PolarHBondContact O-N 3.34Å; D312-G315 VanDerWaalsContact O-N 3.11Å; D312-G315 PolarHBondContact OD1-N 2.83Å; D312-S316 PolarHBondContact OD1-N 2.9Å; D312-S316 PolarHBondContact OD1-OG 3.11Å; D312-S316 PolarHBondContact OD2-N 2.97Å; D312-S316 PolarHBondContact OD2-OG 2.88Å; D312-S317 PolarHBondContact OD2-N 3.24Å; D312-S317 PolarHBondContact OD2-OG 2.84Å
313S87.3Confident95.1Very high41 Ų4117.9 Ų17.929%0.28710%0.095SC..THydrogen-bonded Turntrans-67-21.2-177.956.10000114.2A261 E263 G315A261-S313 CarbonylContact C-O 3.57Å; E263-S313 VanDerWaalsContact OE1-CB 3.23Å; E263-S313 WeakPolarHBondContact OE1-CB 3.47Å; E263-S313 PolarHBondContact OE1-OG 2.78Å; E263-S313 PolarHBondContact OE2-OG 3.33Å; S313-G315 VanDerWaalsContact C-N 3.28Å
314S89.4Confident95Very high47 Ų4724.1 Ų24.133%0.32913%0.128SC..THydrogen-bonded Turntrans-82.2-6.717679.50000113.2V264 K266 D312 S316V264-S314 WeakPolarHBondContact CG2-O 3.26Å; K266-S314 PolarHBondContact NZ-O 2.94Å; D312-S314 PolarHBondContact O-N 3.26Å; D312-S314 VanDerWaalsContact OD1-C 3.27Å; D312-S314 WeakPolarHBondContact OD1-CA 3.39Å; D312-S314 WeakPolarHBondContact OD1-CB 3.49Å; D312-S314 PolarHBondContact OD1-N 3.35Å; D312-S314 VanDerWaalsContact OD1-N 3.08Å; D312-S314 PolarHBondContact OD1-OG 2.89Å; S314-S316 PolarHBondContact O-N 3.49Å
315G91.9Very high95Very high0 Ų021.4 Ų21.40%012%0.116CC..  trans56.936.7-175.600000112.5F2 A261 K266 D312 S313F2-G315 WeakPolarHBondContact CZ-O 3.47Å; A261-G315 VanDerWaalsContact CB-CA 3.49Å; K266-G315 PolarHBondContact NZ-O 3.32Å; D312-G315 PolarHBondContact O-N 3.34Å; D312-G315 VanDerWaalsContact O-N 3.11Å; D312-G315 PolarHBondContact OD1-N 2.83Å; S313-G315 VanDerWaalsContact C-N 3.28Å
316S93.1Very high94.9Very high42 Ų4223.8 Ų23.829%0.29414%0.136SC..SBendtrans-81.3-22.8175.8760000112F2 D312 S314 S332 S333F2-S316 VanDerWaalsContact CE1-O 3.24Å; F2-S316 WeakPolarHBondContact CE1-O 3.48Å; D312-S316 PolarHBondContact OD1-N 2.9Å; D312-S316 PolarHBondContact OD1-OG 3.11Å; D312-S316 PolarHBondContact OD2-N 2.97Å; D312-S316 PolarHBondContact OD2-OG 2.88Å; S314-S316 PolarHBondContact O-N 3.49Å; S316-S332 CarbonylContact O-C 3.34Å; S316-S332 WeakPolarHBondContact O-CA 3.38Å; S316-S333 WeakPolarHBondContact O-CB 3.44Å; S316-S333 PolarHBondContact O-N 2.87Å; S316-S333 PolarHBondContact O-OG 2.74Å
317S94.7Very high94.8Very high4 Ų425.9 Ų25.93%0.02815%0.145CC..EExtended strand (participates in β ladder)trans-144152.7177.959.40000111.5F310 C311 D312 F331 S332F310-S317 WeakPolarHBondContact CA-O 3.32Å; C311-S317 VanDerWaalsContact CB-OG 3.24Å; C311-S317 WeakPolarHBondContact CB-OG 3.42Å; C311-S317 PolarHBondContact N-O 2.8Å; D312-S317 PolarHBondContact OD2-N 3.24Å; D312-S317 PolarHBondContact OD2-OG 2.84Å; S317-F331 CarbonylContact C-O 3.57Å; S317-F331 WeakPolarHBondContact CA-O 3.32Å; S317-F331 VanDerWaalsContact CB-O 3.26Å; S317-F331 WeakPolarHBondContact CB-O 3.37Å; S317-S332 WeakPolarHBondContact CB-OG 3.47Å
318F96.6Very high94.8Very high0 Ų025.9 Ų25.90%015%0.145CC..EExtended strand (participates in β ladder)trans-141161.9175.471.4-92.8000110.7F2 L268 V276 I278 R309 F310 V320 R330 F331F2-F318 HydrophobicContact CB-CE1 3.85Å; F2-F318 AromaticContact CD1-CD1 3.58Å; F2-F318 HydrophobicContact CD1-CD1 3.58Å; F2-F318 AromaticContact CD1-CE1 3.59Å; F2-F318 HydrophobicContact CD1-CE1 3.59Å; F2-F318 HydrophobicContact CD2-CE1 4.37Å; F2-F318 AromaticContact CE1-CD1 3.81Å; F2-F318 HydrophobicContact CE1-CD1 3.81Å; F2-F318 HydrophobicContact CE1-CE1 4.21Å; F2-F318 HydrophobicContact CG-CD1 4.14Å; F2-F318 AromaticContact CG-CE1 3.68Å; F2-F318 HydrophobicContact CG-CE1 3.68Å; L268-F318 HydrophobicContact CD1-CD2 4.33Å; L268-F318 HydrophobicContact CD1-CG 4.4Å; L268-F318 HydrophobicContact CD2-CB 3.9Å; L268-F318 HydrophobicContact CD2-CD2 4.31Å; L268-F318 HydrophobicContact CD2-CG 4.29Å; V276-F318 HydrophobicContact CG2-CE2 3.8Å; V276-F318 HydrophobicContact CG2-CZ 3.82Å; I278-F318 HydrophobicContact CD1-CD1 3.75Å; I278-F318 HydrophobicContact CD1-CE1 3.74Å; R309-F318 CarbonylContact O-C 3.57Å; R309-F318 VanDerWaalsContact O-CA 3.27Å; R309-F318 WeakPolarHBondContact O-CA 3.43Å; R309-F318 WeakPolarHBondContact O-CB 3.46Å; F310-F318 HydrophobicContact CD1-CB 4.07Å; F318-V320 HydrophobicContact CD2-CG1 4Å; F318-V320 HydrophobicContact CE2-CG1 3.95Å; F318-R330 WeakPolarHBondContact O-CA 3.47Å; F318-F331 HydrophobicContact CD1-CB 3.91Å; F318-F331 HydrophobicContact CD2-CB 4.28Å; F318-F331 AromaticContact CD2-CD2 3.94Å; F318-F331 HydrophobicContact CD2-CD2 3.94Å; F318-F331 HydrophobicContact CD2-CG 4.41Å; F318-F331 HydrophobicContact CE1-CB 3.47Å; F318-F331 VanDerWaalsContact CE1-CB 3.47Å; F318-F331 HydrophobicContact CE1-CD2 4.48Å; F318-F331 HydrophobicContact CE1-CG 4.02Å; F318-F331 HydrophobicContact CE2-CB 3.85Å; F318-F331 HydrophobicContact CE2-CD1 4.5Å; F318-F331 AromaticContact CE2-CD2 3.29Å; F318-F331 HydrophobicContact CE2-CD2 3.29Å; F318-F331 AromaticContact CE2-CE2 3.95Å; F318-F331 HydrophobicContact CE2-CE2 3.95Å; F318-F331 AromaticContact CE2-CG 3.64Å; F318-F331 HydrophobicContact CE2-CG 3.64Å; F318-F331 HydrophobicContact CG-CB 4.3Å; F318-F331 HydrophobicContact CZ-CB 3.43Å; F318-F331 VanDerWaalsContact CZ-CB 3.43Å; F318-F331 HydrophobicContact CZ-CD1 4.03Å; F318-F331 AromaticContact CZ-CD2 3.62Å; F318-F331 HydrophobicContact CZ-CD2 3.62Å; F318-F331 HydrophobicContact CZ-CE2 4.39Å; F318-F331 AromaticContact CZ-CG 3.42Å; F318-F331 HydrophobicContact CZ-CG 3.42Å; F318-F331 VanDerWaalsContact CZ-CG 3.42Å; F318-F331 PolarHBondContact N-O 2.94Å; F318-F331 PolarHBondContact O-N 2.85Å
319A97.3Very high94.6Very high0 Ų028.7 Ų28.70%016%0.156CC..EExtended strand (participates in β ladder)trans-131.9152.3178.200000110.6L21 F34 A308 R309 C311 I328 R329L21-A319 HydrophobicContact CD2-CB 3.96Å; L21-A319 WeakPolarHBondContact CD2-O 2.98Å; F34-A319 HydrophobicContact CE1-CB 4.04Å; A308-A319 WeakPolarHBondContact CA-O 3.49Å; R309-A319 PolarHBondContact N-O 3.25Å; R309-A319 PolarHBondContact O-N 3.04Å; C311-A319 VanDerWaalsContact SG-CB 3.55Å; A319-I328 HydrophobicContact CB-CG2 3.65Å; A319-R329 CarbonylContact C-O 3.47Å; A319-R329 VanDerWaalsContact CA-O 3.27Å; A319-R329 WeakPolarHBondContact CA-O 3.48Å
320V97.9Very high94.5Very high0 Ų028.5 Ų28.50%016%0.155CC..EExtended strand (participates in β ladder)trans-133.9151.3177.9-54.80000111.3V276 V300 L305 G307 A308 F318 I328 R329 F331V276-V320 HydrophobicContact CG1-CG1 3.88Å; V300-V320 HydrophobicContact CG1-CG2 4.23Å; V300-V320 HydrophobicContact CG2-CG2 4.24Å; L305-V320 HydrophobicContact CD2-CB 4.11Å; L305-V320 HydrophobicContact CD2-CG2 4.18Å; G307-V320 CarbonylContact O-C 3.54Å; G307-V320 VanDerWaalsContact O-CA 3.26Å; G307-V320 WeakPolarHBondContact O-CA 3.38Å; A308-V320 HydrophobicContact CB-CG1 4.07Å; F318-V320 HydrophobicContact CD2-CG1 4Å; F318-V320 HydrophobicContact CE2-CG1 3.95Å; V320-I328 WeakPolarHBondContact O-CA 3.5Å; V320-R329 HydrophobicContact CG2-CB 3.75Å; V320-R329 PolarHBondContact N-O 2.9Å; V320-R329 PolarHBondContact O-N 2.79Å; V320-F331 HydrophobicContact CG2-CE2 3.95Å
321T98.1Very high94.4Very high0 Ų028.3 Ų28.30%015%0.154CC..EExtended strand (participates in β ladder)trans-123.7155.8171.252.80000109.8N20 L21 V36 L305 C306 G307 I328N20-T321 PolarHBondContact O-OG1 2.94Å; L21-T321 HydrophobicContact CB-CG2 4.33Å; L21-T321 HydrophobicContact CD1-CG2 3.93Å; L21-T321 HydrophobicContact CD2-CG2 4.41Å; L21-T321 HydrophobicContact CG-CG2 4.46Å; V36-T321 HydrophobicContact CG1-CG2 4.12Å; V36-T321 HydrophobicContact CG2-CG2 3.77Å; L305-T321 WeakPolarHBondContact CA-O 3.39Å; C306-T321 PolarHBondContact N-O 2.88Å; G307-T321 WeakPolarHBondContact CA-OG1 3.18Å; G307-T321 PolarHBondContact N-O 3.36Å; G307-T321 PolarHBondContact N-OG1 3.01Å; G307-T321 VanDerWaalsContact N-OG1 3.15Å; G307-T321 PolarHBondContact O-N 3.08Å; T321-I328 HydrophobicContact CG2-CG1 3.89Å
322G96.7Very high94.3Very high0 Ų029 Ų290%016%0.159CC..EExtended strand (participates in β ladder)trans-147.8158.7176.900000114.1S13 Q304 L325S13-G322 PolarHBondContact OG-O 3.15Å; Q304-G322 CarbonylContact O-C 3.57Å; Q304-G322 WeakPolarHBondContact O-CA 3.46Å; G322-L325 WeakPolarHBondContact O-CB 3.3Å; G322-L325 PolarHBondContact O-N 3.45Å
323Y94.8Very high94.3Very high106 Ų10631 Ų3142%0.41617%0.174SC..EExtended strand (participates in β ladder)trans-68.3141.8172.2-169.3-106000109.7A14 A16 Q304 C306 L325A14-Y323 WeakPolarHBondContact O-CD2 3.39Å; A16-Y323 HydrophobicContact CB-CD2 3.7Å; A16-Y323 HydrophobicContact CB-CE2 4.17Å; A16-Y323 HydrophobicContact CB-CG 4.13Å; Q304-Y323 PolarHBondContact O-N 3.36Å; C306-Y323 PolarHBondContact SG-N 2.67Å; Y323-L325 PolarHBondContact O-N 2.86Å
324D92.6Very high94Very high135 Ų13535.5 Ų35.572%0.72220%0.2SC*.THydrogen-bonded Turntrans52.98.7-164.6-67-28.2000116.7S13S13-D324 WeakPolarHBondContact OG-CA 3.45Å; S13-D324 PolarHBondContact OG-N 2.9Å
325L93.6Very high94.3Very high20 Ų2034.9 Ų34.911%0.10519%0.193CC..  trans-97.9109.9172.3-171.367.2000111.3S13 T303 G322 Y323 E327 R329S13-L325 WeakPolarHBondContact CA-O 3.36Å; S13-L325 PolarHBondContact OG-N 3.12Å; T303-L325 HydrophobicContact CG2-CB 4.18Å; T303-L325 HydrophobicContact CG2-CD2 3.79Å; G322-L325 WeakPolarHBondContact O-CB 3.3Å; G322-L325 PolarHBondContact O-N 3.45Å; Y323-L325 PolarHBondContact O-N 2.86Å; L325-E327 HydrophobicContact CD1-CG 3.52Å; L325-E327 HydrophobicContact CD2-CG 4.1Å; L325-E327 HydrophobicContact CG-CG 3.61Å; L325-E327 PolarHBondContact O-N 3.49Å; L325-E327 VanDerWaalsContact O-N 3.16Å; L325-R329 HydrophobicContact CD2-CG 4.17Å
326A95.3Very high94.4Very high52 Ų5236.7 Ų36.743%0.4320%0.203SC..  trans-85.536.1178.500000113.2L10L10-A326 WeakPolarHBondContact CA-O 3.24Å; L10-A326 WeakPolarHBondContact CB-O 3.26Å; L10-A326 PolarHBondContact N-O 2.94Å
327E95.4Very high94.5Very high48 Ų4836.4 Ų36.422%0.22420%0.198CC..EExtended strand (participates in β ladder)trans-152.6157.4178.158.7174.5-154.500111.1S7 I8 L325 R329S7-E327 VanDerWaalsContact CB-CD 3.44Å; S7-E327 WeakPolarHBondContact CB-OE2 3.13Å; S7-E327 VanDerWaalsContact OG-CD 3.24Å; S7-E327 PolarHBondContact OG-OE1 3.3Å; S7-E327 PolarHBondContact OG-OE2 3.02Å; S7-E327 VanDerWaalsContact OG-OE2 3.08Å; I8-E327 CarbonylContact O-C 3.54Å; I8-E327 VanDerWaalsContact O-CA 3.3Å; I8-E327 WeakPolarHBondContact O-CA 3.41Å; L325-E327 HydrophobicContact CD1-CG 3.52Å; L325-E327 HydrophobicContact CD2-CG 4.1Å; L325-E327 HydrophobicContact CG-CG 3.61Å; L325-E327 PolarHBondContact O-N 3.49Å; L325-E327 VanDerWaalsContact O-N 3.16Å; E327-R329 HydrophobicContact CG-CG 4.34Å; E327-R329 VanDerWaalsContact OE1-CG 3.3Å; E327-R329 WeakPolarHBondContact OE1-CG 3.27Å; E327-R329 IonicContact OE1-CZ 3.49Å; E327-R329 IonicContact OE1-NE 3.88Å; E327-R329 PolarHBondContact OE1-NE 3.27Å; E327-R329 IonicContact OE1-NH2 2.82Å
328I96.9Very high94.4Very high0 Ų038.4 Ų38.40%021%0.208CC..EExtended strand (participates in β ladder)trans-94.7118.7163.2-58.6163.8000106.6S7 I8 L10 F34 V36 L45 A319 V320 T321S7-I328 CarbonylContact C-O 3.56Å; S7-I328 VanDerWaalsContact CA-O 3.28Å; S7-I328 WeakPolarHBondContact CA-O 3.5Å; I8-I328 HydrophobicContact CB-CB 4.2Å; I8-I328 PolarHBondContact N-O 2.81Å; I8-I328 PolarHBondContact O-N 3.31Å; L10-I328 HydrophobicContact CD1-CG1 4.21Å; L10-I328 HydrophobicContact CD2-CD1 3.98Å; L10-I328 HydrophobicContact CD2-CG1 3.94Å; L10-I328 HydrophobicContact CG-CG1 4.19Å; F34-I328 HydrophobicContact CB-CD1 3.59Å; F34-I328 HydrophobicContact CD1-CD1 4.16Å; F34-I328 HydrophobicContact CG-CD1 3.9Å; V36-I328 HydrophobicContact CG2-CD1 3.99Å; V36-I328 HydrophobicContact CG2-CG1 4.18Å; L45-I328 HydrophobicContact CD1-CD1 4.17Å; A319-I328 HydrophobicContact CB-CG2 3.65Å; V320-I328 WeakPolarHBondContact O-CA 3.5Å; T321-I328 HydrophobicContact CG2-CG1 3.89Å
329R95.9Very high94.3Very high60 Ų6040.8 Ų40.823%0.22622%0.221CC..EExtended strand (participates in β ladder)trans-86.6127.7173.8-74.7178.7178.7175.81.1109V300 S301 T303 A319 V320 L325 E327 F331V300-R329 VanDerWaalsContact CG1-NH1 3.35Å; S301-R329 PolarHBondContact O-NH1 2.89Å; T303-R329 PolarHBondContact OG1-NH1 3.47Å; A319-R329 CarbonylContact C-O 3.47Å; A319-R329 VanDerWaalsContact CA-O 3.27Å; A319-R329 WeakPolarHBondContact CA-O 3.48Å; V320-R329 HydrophobicContact CG2-CB 3.75Å; V320-R329 PolarHBondContact N-O 2.9Å; V320-R329 PolarHBondContact O-N 2.79Å; L325-R329 HydrophobicContact CD2-CG 4.17Å; E327-R329 HydrophobicContact CG-CG 4.34Å; E327-R329 VanDerWaalsContact OE1-CG 3.3Å; E327-R329 WeakPolarHBondContact OE1-CG 3.27Å; E327-R329 IonicContact OE1-CZ 3.49Å; E327-R329 IonicContact OE1-NE 3.88Å; E327-R329 PolarHBondContact OE1-NE 3.27Å; E327-R329 IonicContact OE1-NH2 2.82Å; R329-F331 HydrophobicContact CB-CE2 3.92Å; R329-F331 HydrophobicContact CB-CZ 4.45Å
330R95Very high94.1Very high18 Ų1843.5 Ų43.57%0.06824%0.236CC..EExtended strand (participates in β ladder)trans-112.7144.4-179.3-174.3-178.7157.6176.1-5.5110.6E5 P49 G51 F318E5-R330 PolarHBondContact N-O 2.93Å; E5-R330 IonicContact OE2-CZ 3.78Å; E5-R330 IonicContact OE2-NE 2.84Å; E5-R330 PolarHBondContact OE2-NE 3.24Å; E5-R330 IonicContact OE2-NH2 3.9Å; P49-R330 PolarHBondContact O-NH1 3.1Å; P49-R330 PolarHBondContact O-NH2 2.92Å; G51-R330 VanDerWaalsContact N-NH1 3.13Å; F318-R330 WeakPolarHBondContact O-CA 3.47Å
331F95.2Very high93.8Very high5 Ų546.6 Ų46.62%0.02225%0.253CS..EExtended strand (participates in β ladder)trans-131138.9179.1-59.4-102.5000109.2F2 R3 W4 E298 V300 S317 F318 V320 R329F2-F331 HydrophobicContact CB-CB 4.31Å; R3-F331 CarbonylContact O-C 3.48Å; R3-F331 WeakPolarHBondContact O-CA 3.38Å; W4-F331 VanDerWaalsContact CA-CD1 3.49Å; W4-F331 HydrophobicContact CB-CD1 3.89Å; W4-F331 HydrophobicContact CB-CE1 3.62Å; W4-F331 HydrophobicContact CB-CZ 4.31Å; W4-F331 HydrophobicContact CG-CE1 4.39Å; E298-F331 HydrophobicContact CG-CD1 4.13Å; E298-F331 HydrophobicContact CG-CE1 3.6Å; E298-F331 HydrophobicContact CG-CZ 4.26Å; V300-F331 HydrophobicContact CG2-CE2 4.46Å; V300-F331 HydrophobicContact CG2-CZ 4.12Å; S317-F331 CarbonylContact C-O 3.57Å; S317-F331 WeakPolarHBondContact CA-O 3.32Å; S317-F331 VanDerWaalsContact CB-O 3.26Å; S317-F331 WeakPolarHBondContact CB-O 3.37Å; F318-F331 HydrophobicContact CD1-CB 3.91Å; F318-F331 HydrophobicContact CD2-CB 4.28Å; F318-F331 AromaticContact CD2-CD2 3.94Å; F318-F331 HydrophobicContact CD2-CD2 3.94Å; F318-F331 HydrophobicContact CD2-CG 4.41Å; F318-F331 HydrophobicContact CE1-CB 3.47Å; F318-F331 VanDerWaalsContact CE1-CB 3.47Å; F318-F331 HydrophobicContact CE1-CD2 4.48Å; F318-F331 HydrophobicContact CE1-CG 4.02Å; F318-F331 HydrophobicContact CE2-CB 3.85Å; F318-F331 HydrophobicContact CE2-CD1 4.5Å; F318-F331 AromaticContact CE2-CD2 3.29Å; F318-F331 HydrophobicContact CE2-CD2 3.29Å; F318-F331 AromaticContact CE2-CE2 3.95Å; F318-F331 HydrophobicContact CE2-CE2 3.95Å; F318-F331 AromaticContact CE2-CG 3.64Å; F318-F331 HydrophobicContact CE2-CG 3.64Å; F318-F331 HydrophobicContact CG-CB 4.3Å; F318-F331 HydrophobicContact CZ-CB 3.43Å; F318-F331 VanDerWaalsContact CZ-CB 3.43Å; F318-F331 HydrophobicContact CZ-CD1 4.03Å; F318-F331 AromaticContact CZ-CD2 3.62Å; F318-F331 HydrophobicContact CZ-CD2 3.62Å; F318-F331 HydrophobicContact CZ-CE2 4.39Å; F318-F331 AromaticContact CZ-CG 3.42Å; F318-F331 HydrophobicContact CZ-CG 3.42Å; F318-F331 VanDerWaalsContact CZ-CG 3.42Å; F318-F331 PolarHBondContact N-O 2.94Å; F318-F331 PolarHBondContact O-N 2.85Å; V320-F331 HydrophobicContact CG2-CE2 3.95Å; R329-F331 HydrophobicContact CB-CE2 3.92Å; R329-F331 HydrophobicContact CB-CZ 4.45Å
332S93Very high93.5Very high15 Ų1550.2 Ų50.211%0.10527%0.272CS..EExtended strand (participates in β ladder)trans-129.1154174.2-62.30000111.3F2 R3 E5 S316 S317F2-S332 CarbonylContact C-O 3.52Å; F2-S332 VanDerWaalsContact CA-O 3.28Å; F2-S332 WeakPolarHBondContact CA-O 3.01Å; R3-S332 PolarHBondContact N-O 2.77Å; R3-S332 PolarHBondContact O-N 3.27Å; E5-S332 VanDerWaalsContact CD-CB 3.42Å; E5-S332 WeakPolarHBondContact OE1-CB 3.4Å; E5-S332 PolarHBondContact OE1-OG 2.79Å; E5-S332 PolarHBondContact OE2-OG 3Å; S316-S332 CarbonylContact O-C 3.34Å; S316-S332 WeakPolarHBondContact O-CA 3.38Å; S317-S332 WeakPolarHBondContact CB-OG 3.47Å
333S90.2Very high93.2Very high57 Ų5754.3 Ų54.340%0.39930%0.295SS..EExtended strand (participates in β ladder)trans-66.3130.4173620000110M1 S316M1-S333 WeakPolarHBondContact O-CA 3.44Å; S316-S333 WeakPolarHBondContact O-CB 3.44Å; S316-S333 PolarHBondContact O-N 2.87Å; S316-S333 PolarHBondContact O-OG 2.74Å
334V81.1Confident93.1Very high136 Ų13649.6 Ų49.682%0.82428%0.284SS*.  trans-82.50169.6-170.20000110.2M1 R3M1-V334 PolarHBondContact O-N 2.82Å; R3-V334 HydrophobicContact CB-CG2 3.92Å; R3-V334 VanDerWaalsContact CD-CG2 3.48Å; R3-V334 HydrophobicContact CG-CG2 3.5Å; R3-V334 VanDerWaalsContact CG-CG2 3.5Å

Retrieved 334 of 334 residues in 71.5 ms (Link to these results)

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