A0A096NU18_PAPAN Loading...

Pleckstrin homology domain containing A1

Binds specifically to phosphatidylinositol 3,4-diphosphate (PtdIns3,4P2), but not to other phosphoinositides. May recruit other proteins to the plasma membrane.

AlphaFold DB , UniProt , Accession A0A096NU18, Species PAPAN (Papio anubis, Olive baboon), Gene PLEKHA1, Length 404 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
1M82.3Confident91.9Very high106 Ų10681.5 Ų81.552%0.52238%0.377SS..  0131.10-66.1175.37100109.6Q98 D99 E102M1-Q98 HydrophobicContact CE-CG 3.65Å; M1-Q98 HydrophobicContact SD-CG 4.11Å; M1-D99 WeakPolarHBondContact CA-OD1 3.44Å; M1-D99 HydrophobicContact CG-CB 4.14Å; M1-D99 PolarHBondContact N-OD1 2.98Å; M1-D99 PolarHBondContact N-OD2 3.14Å; M1-E102 VanDerWaalsContact CE-CD 3.4Å; M1-E102 WeakPolarHBondContact CE-OE1 3.35Å; M1-E102 VanDerWaalsContact CE-OE2 3.28Å; M1-E102 WeakPolarHBondContact CE-OE2 3.36Å
2P92.8Very high92.2Very high18 Ų1874.8 Ų74.812%0.11735%0.346CS..  trans-63.7144.717227.3-31.8000110.4I10 C11 D99 E102 W103P2-I10 HydrophobicContact CB-CG2 3.69Å; P2-C11 CarbonylContact C-O 3.47Å; P2-C11 WeakPolarHBondContact CA-O 3.48Å; P2-D99 VanDerWaalsContact CD-OD1 3.24Å; P2-D99 WeakPolarHBondContact CD-OD1 3.28Å; P2-E102 WeakPolarHBondContact CD-OE2 3.22Å; P2-E102 HydrophobicContact CG-CB 3.61Å; P2-W103 HydrophobicContact CB-CD2 3.98Å; P2-W103 HydrophobicContact CB-CE3 4.41Å; P2-W103 HydrophobicContact CB-CG 4.45Å; P2-W103 HydrophobicContact CB-CH2 4.33Å; P2-W103 HydrophobicContact CB-CZ2 3.9Å; P2-W103 HydrophobicContact CG-CD2 4.18Å; P2-W103 HydrophobicContact CG-CG 4.16Å
3Y94.1Very high92.4Very high111 Ų11173.2 Ų73.244%0.43534%0.338SS..EExtended strand (participates in β ladder)trans-137.3162.4177.668.8-86.4000110.7I10 C11 Y29Y3-I10 CarbonylContact O-C 3.37Å; Y3-C11 VanDerWaalsContact CD1-O 3.3Å; Y3-C11 WeakPolarHBondContact CD1-O 3.41Å; Y3-C11 PolarHBondContact N-O 3.19Å; Y3-C11 PolarHBondContact O-N 3.06Å; Y3-Y29 HydrophobicContact CE1-CE2 4.49Å; Y3-Y29 PolarHBondContact OH-OH 2.76Å
4V94.1Very high92.6Very high89 Ų8968 Ų6854%0.53931%0.314SS..EExtended strand (participates in β ladder)trans-91.1127.9-179.4-176.80000109.9N8 R9V4-N8 HydrophobicContact CG1-CB 4.48Å; V4-R9 CarbonylContact C-O 3.54Å; V4-R9 WeakPolarHBondContact CA-O 3.27Å
5D90.9Very high92.8Very high17 Ų1764.4 Ų64.49%0.09130%0.298CS..  trans-82.317817578.53.3000112.7Q7 N8 R9D5-Q7 PolarHBondContact O-N 3.25Å; D5-Q7 VanDerWaalsContact O-N 3.12Å; D5-Q7 VanDerWaalsContact OD1-CA 3.3Å; D5-Q7 WeakPolarHBondContact OD1-CA 3.48Å; D5-Q7 WeakPolarHBondContact OD1-CB 3.3Å; D5-Q7 PolarHBondContact OD1-N 2.82Å; D5-Q7 PolarHBondContact OD2-OE1 2.84Å; D5-N8 PolarHBondContact O-N 3Å; D5-N8 PolarHBondContact OD1-N 3.33Å; D5-R9 PolarHBondContact N-O 3Å; D5-R9 WeakPolarHBondContact OD1-CB 3.47Å; D5-R9 PolarHBondContact OD1-N 3.47Å; D5-R9 IonicContact OD1-NE 2.77Å; D5-R9 IonicContact OD2-CZ 3.67Å; D5-R9 VanDerWaalsContact OD2-CZ 3.25Å; D5-R9 IonicContact OD2-NE 3.53Å; D5-R9 PolarHBondContact OD2-NE 3.32Å; D5-R9 IonicContact OD2-NH2 3.69Å; D5-R9 PolarHBondContact OD2-NH2 3.48Å
6R89.5Confident92.9Very high229 Ų22960.4 Ų60.486%0.86428%0.279SS*.THydrogen-bonded Turntrans-64.8-14.3179.7-63.7-176.9-176.6172.60.5114
7Q89.8Confident92.8Very high95 Ų9557 Ų5744%0.44426%0.264SS..THydrogen-bonded Turntrans-97.210.5177.2-67.978.949.800112D5 R9D5-Q7 PolarHBondContact O-N 3.25Å; D5-Q7 VanDerWaalsContact O-N 3.12Å; D5-Q7 VanDerWaalsContact OD1-CA 3.3Å; D5-Q7 WeakPolarHBondContact OD1-CA 3.48Å; D5-Q7 WeakPolarHBondContact OD1-CB 3.3Å; D5-Q7 PolarHBondContact OD1-N 2.82Å; D5-Q7 PolarHBondContact OD2-OE1 2.84Å; Q7-R9 HydrophobicContact CB-CG 4.1Å; Q7-R9 PolarHBondContact O-N 2.67Å
8N91Very high92.5Very high134 Ų13456.3 Ų56.372%0.71726%0.261SS*.SBendtrans60.330.1-174.2-67.4-36.5000113.8V4 D5V4-N8 HydrophobicContact CG1-CB 4.48Å; D5-N8 PolarHBondContact O-N 3Å; D5-N8 PolarHBondContact OD1-N 3.33Å
9R94.4Very high92Very high61 Ų6159.4 Ų59.423%0.2328%0.279CS..  trans-100150174.3-54176.9-58.4-178.51.9109.8V4 D5 Q7 I31 D33V4-R9 CarbonylContact C-O 3.54Å; V4-R9 WeakPolarHBondContact CA-O 3.27Å; D5-R9 PolarHBondContact N-O 3Å; D5-R9 WeakPolarHBondContact OD1-CB 3.47Å; D5-R9 PolarHBondContact OD1-N 3.47Å; D5-R9 IonicContact OD1-NE 2.77Å; D5-R9 IonicContact OD2-CZ 3.67Å; D5-R9 VanDerWaalsContact OD2-CZ 3.25Å; D5-R9 IonicContact OD2-NE 3.53Å; D5-R9 PolarHBondContact OD2-NE 3.32Å; D5-R9 IonicContact OD2-NH2 3.69Å; D5-R9 PolarHBondContact OD2-NH2 3.48Å; Q7-R9 HydrophobicContact CB-CG 4.1Å; Q7-R9 PolarHBondContact O-N 2.67Å; R9-I31 HydrophobicContact CB-CG2 4.1Å; R9-D33 WeakPolarHBondContact CD-OD2 3.35Å; R9-D33 HydrophobicContact CG-CB 4.25Å
10I96Very high91.5Very high36 Ų3660.9 Ų60.919%0.18529%0.286CS..EExtended strand (participates in β ladder)trans-90.3123.5179.9-59.5174000108.2P2 Y3 L32 V106P2-I10 HydrophobicContact CB-CG2 3.69Å; Y3-I10 CarbonylContact O-C 3.37Å; I10-L32 HydrophobicContact CB-CB 4.12Å; I10-L32 HydrophobicContact CB-CD2 4.27Å; I10-L32 HydrophobicContact CB-CG 4.48Å; I10-L32 HydrophobicContact CD1-CD2 4.25Å; I10-L32 PolarHBondContact N-O 3.15Å; I10-L32 WeakPolarHBondContact O-CB 3.33Å; I10-L32 PolarHBondContact O-N 3.47Å; I10-V106 HydrophobicContact CD1-CB 3.72Å; I10-V106 HydrophobicContact CD1-CG1 3.83Å; I10-V106 HydrophobicContact CD1-CG2 4.43Å; I10-V106 HydrophobicContact CG2-CB 4.42Å; I10-V106 HydrophobicContact CG2-CG1 4.5Å; I10-V106 HydrophobicContact CG2-CG2 4.08Å
11C96.1Very high90.9Very high0 Ų063.9 Ų63.90%030%0.304CS..EExtended strand (participates in β ladder)trans-133.6155-170-59.70000111.6P2 Y3 Y29 F30P2-C11 CarbonylContact C-O 3.47Å; P2-C11 WeakPolarHBondContact CA-O 3.48Å; Y3-C11 VanDerWaalsContact CD1-O 3.3Å; Y3-C11 WeakPolarHBondContact CD1-O 3.41Å; Y3-C11 PolarHBondContact N-O 3.19Å; Y3-C11 PolarHBondContact O-N 3.06Å; C11-Y29 HydrophobicContact CB-CE1 4.02Å; C11-Y29 VanDerWaalsContact CB-OH 3.24Å; C11-Y29 WeakPolarHBondContact CB-OH 3.45Å; C11-F30 VanDerWaalsContact CA-O 3.23Å; C11-F30 WeakPolarHBondContact CA-O 3.25Å
12G95.3Very high91Very high1 Ų161.7 Ų61.71%0.0130%0.299CS..EExtended strand (participates in β ladder)trans166.4174.2173.100000113.2F30G12-F30 PolarHBondContact N-O 3.34Å; G12-F30 PolarHBondContact O-N 2.97Å
13F95Very high90.5Very high55 Ų5563.2 Ų63.224%0.24132%0.318CS..EExtended strand (participates in β ladder)trans-90.1135.8176.1-71.7-82.2000111.3R27 R28 Y29 D44F13-R27 HydrophobicContact CD1-CG 4.01Å; F13-R28 WeakPolarHBondContact CA-O 3.44Å; F13-Y29 HydrophobicContact CD1-CD2 4.12Å; F13-Y29 AromaticContact CD2-CD2 3.94Å; F13-Y29 HydrophobicContact CD2-CD2 3.94Å; F13-Y29 HydrophobicContact CD2-CE2 4.44Å; F13-Y29 AromaticContact CE1-CD2 3.88Å; F13-Y29 HydrophobicContact CE1-CD2 3.88Å; F13-Y29 HydrophobicContact CE1-CG 4.37Å; F13-Y29 AromaticContact CE2-CD2 3.67Å; F13-Y29 HydrophobicContact CE2-CD2 3.67Å; F13-Y29 HydrophobicContact CE2-CE2 4.15Å; F13-Y29 HydrophobicContact CG-CD2 4.16Å; F13-Y29 AromaticContact CZ-CD2 3.65Å; F13-Y29 HydrophobicContact CZ-CD2 3.65Å; F13-Y29 HydrophobicContact CZ-CE2 4.46Å; F13-Y29 HydrophobicContact CZ-CG 4.46Å; F13-D44 WeakPolarHBondContact CZ-OD1 3.44Å
14L95.6Very high90.1Very high0 Ų061.9 Ų61.90%031%0.314CS..EExtended strand (participates in β ladder)trans-136.8156.4168.1-68.9168.8000108.1R28 F30 F81 L92 Q93 A94 W103L14-R28 PolarHBondContact N-O 3.21Å; L14-R28 VanDerWaalsContact N-O 3.08Å; L14-R28 PolarHBondContact O-N 2.95Å; L14-R28 VanDerWaalsContact O-O 3.08Å; L14-F30 HydrophobicContact CB-CD2 3.66Å; L14-F30 HydrophobicContact CB-CE2 3.62Å; L14-F30 HydrophobicContact CD1-CD2 4Å; L14-F30 HydrophobicContact CD1-CE2 4.34Å; L14-F30 HydrophobicContact CD1-CG 4.22Å; L14-F30 HydrophobicContact CG-CD2 4.18Å; L14-F81 HydrophobicContact CD1-CE1 4.3Å; L14-F81 HydrophobicContact CD1-CZ 3.79Å; L14-F81 HydrophobicContact CD2-CE1 3.91Å; L14-F81 HydrophobicContact CD2-CZ 4.25Å; L14-L92 HydrophobicContact CB-CD2 4.45Å; L14-L92 HydrophobicContact CD1-CD2 3.77Å; L14-Q93 WeakPolarHBondContact CD2-O 3.18Å; L14-A94 HydrophobicContact CD2-CB 4.13Å; L14-W103 HydrophobicContact CD1-CD2 3.69Å; L14-W103 HydrophobicContact CD1-CE3 4.06Å; L14-W103 HydrophobicContact CD1-CG 4.07Å; L14-W103 HydrophobicContact CD1-CH2 4.36Å; L14-W103 HydrophobicContact CD1-CZ2 4Å; L14-W103 HydrophobicContact CD1-CZ3 4.4Å; L14-W103 VanDerWaalsContact CD2-CD1 3.45Å; L14-W103 HydrophobicContact CD2-CD2 4.29Å; L14-W103 HydrophobicContact CD2-CG 3.94Å; L14-W103 HydrophobicContact CG-CD2 4.17Å; L14-W103 HydrophobicContact CG-CG 4.35Å; L14-W103 HydrophobicContact CG-CZ2 4.09Å
15D94.6Very high90Very high14 Ų1458.3 Ų58.38%0.07529%0.292CS..EExtended strand (participates in β ladder)trans-99.9126.2171.6-45.2-37.9000108.4F25 L26 R27 L92 Q93D15-F25 HydrophobicContact CB-CB 3.95Å; D15-F25 HydrophobicContact CB-CD1 4.5Å; D15-L26 CarbonylContact C-O 3.53Å; D15-L26 WeakPolarHBondContact CA-O 3.34Å; D15-R27 VanDerWaalsContact OD1-CA 3.29Å; D15-R27 WeakPolarHBondContact OD1-CA 3.44Å; D15-R27 WeakPolarHBondContact OD1-CB 3.21Å; D15-R27 WeakPolarHBondContact OD1-CG 3.4Å; D15-R27 IonicContact OD1-CZ 3.37Å; D15-R27 IonicContact OD1-NH1 2.68Å; D15-R27 PolarHBondContact OD1-NH1 3.07Å; D15-R27 IonicContact OD2-NH1 3.27Å; D15-L92 CarbonylContact O-C 3.59Å; D15-L92 VanDerWaalsContact O-CA 3.29Å; D15-L92 WeakPolarHBondContact O-CA 3.3Å; D15-Q93 HydrophobicContact CB-CB 4.15Å; D15-Q93 PolarHBondContact N-O 3.03Å; D15-Q93 PolarHBondContact O-N 3.01Å
16I94.4Very high90Very high0 Ų058.2 Ų58.20%029%0.291CS..EExtended strand (participates in β ladder)trans-118.1137.5-173.7-178.7167.5000111E18 L26 R28 F30 W41 Y90 L92I16-E18 HydrophobicContact CG1-CG 4.48Å; I16-E18 HydrophobicContact CG2-CG 3.94Å; I16-E18 PolarHBondContact O-N 2.98Å; I16-L26 PolarHBondContact N-O 3.15Å; I16-L26 PolarHBondContact O-N 3.08Å; I16-R28 HydrophobicContact CG2-CB 4.2Å; I16-R28 HydrophobicContact CG2-CG 3.6Å; I16-F30 HydrophobicContact CB-CE2 4.39Å; I16-F30 HydrophobicContact CB-CZ 3.88Å; I16-F30 HydrophobicContact CD1-CE1 4.25Å; I16-F30 HydrophobicContact CD1-CZ 3.83Å; I16-F30 HydrophobicContact CG1-CZ 4.43Å; I16-F30 HydrophobicContact CG2-CE2 4.29Å; I16-F30 HydrophobicContact CG2-CZ 3.9Å; I16-W41 HydrophobicContact CD1-CH2 4.43Å; I16-W41 HydrophobicContact CD1-CZ2 4.1Å; I16-Y90 HydrophobicContact CD1-CD1 4.09Å; I16-L92 HydrophobicContact CB-CD2 4.46Å; I16-L92 HydrophobicContact CD1-CD2 4.3Å; I16-L92 HydrophobicContact CD1-CG 4.5Å; I16-L92 HydrophobicContact CG1-CG 4.36Å
17E92.6Very high90.2Very high3 Ų350.3 Ų50.31%0.01426%0.261CS..EExtended strand (participates in β ladder)trans-86.791.9167.5-175.8177.5-179.700109N19 N21 S22 G23 F25 R74 F91E17-N19 VanDerWaalsContact C-N 3.3Å; E17-N19 VanDerWaalsContact CG-O 3.22Å; E17-N19 WeakPolarHBondContact CG-O 3.46Å; E17-N19 PolarHBondContact O-N 3.44Å; E17-N21 VanDerWaalsContact OE1-CA 3.28Å; E17-N21 WeakPolarHBondContact OE1-CA 3.12Å; E17-N21 PolarHBondContact OE1-N 3.13Å; E17-S22 WeakPolarHBondContact CG-OG 3.34Å; E17-S22 PolarHBondContact OE1-N 3.37Å; E17-G23 PolarHBondContact OE1-N 2.85Å; E17-F25 HydrophobicContact CB-CD1 4.07Å; E17-F25 HydrophobicContact CB-CE1 3.81Å; E17-F25 HydrophobicContact CB-CZ 4.04Å; E17-R74 IonicContact OE1-CZ 3.55Å; E17-R74 IonicContact OE1-NH2 3.74Å; E17-R74 PolarHBondContact OE1-NH2 2.96Å; E17-R74 IonicContact OE2-CZ 2.88Å; E17-R74 IonicContact OE2-NH2 2.99Å; E17-R74 PolarHBondContact OE2-NH2 2.72Å; E17-F91 HydrophobicContact CB-CB 4.22Å; E17-F91 PolarHBondContact N-O 3.23Å
18E86.3Confident90.4Very high44 Ų4445.9 Ų45.921%0.20624%0.241CC..SBendtrans-66.6-33.9-175.1-63.7-176.8171.400112.3I16 R28 V56 R88I16-E18 HydrophobicContact CG1-CG 4.48Å; I16-E18 HydrophobicContact CG2-CG 3.94Å; I16-E18 PolarHBondContact O-N 2.98Å; E18-R28 IonicContact OE1-CZ 2.72Å; E18-R28 IonicContact OE1-NE 3.61Å; E18-R28 PolarHBondContact OE1-NE 2.79Å; E18-R28 IonicContact OE1-NH2 3.94Å; E18-R28 PolarHBondContact OE1-NH2 2.94Å; E18-R28 IonicContact OE2-NH2 3.13Å; E18-V56 VanDerWaalsContact OE1-CG1 3.28Å; E18-V56 WeakPolarHBondContact OE1-CG1 3.4Å; E18-R88 PolarHBondContact O-NH2 2.89Å
19N83.7Confident90.5Very high115 Ų11539.7 Ų39.762%0.61521%0.207SC*.SBendtrans-104.7115.5176.1-65.384.5000109.7E17 N21 S22E17-N19 VanDerWaalsContact C-N 3.3Å; E17-N19 VanDerWaalsContact CG-O 3.22Å; E17-N19 WeakPolarHBondContact CG-O 3.46Å; E17-N19 PolarHBondContact O-N 3.44Å; N19-N21 PolarHBondContact O-N 3.25Å; N19-S22 VanDerWaalsContact O-CB 3.26Å; N19-S22 WeakPolarHBondContact O-CB 3.41Å; N19-S22 PolarHBondContact O-N 3.08Å; N19-S22 VanDerWaalsContact O-N 3.07Å; N19-S22 PolarHBondContact O-OG 3.12Å
20E80.6Confident90.6Very high90 Ų9036.8 Ų36.842%0.42120%0.196SC..THydrogen-bonded Turntrans-54.6132.5-180-159.3178.9179.500110.7S22E20-S22 PolarHBondContact O-N 2.95Å
21N80.4Confident90.6Very high123 Ų12335.3 Ų35.366%0.65819%0.189SC*.THydrogen-bonded Turntrans66.67.9-178.9-53.4101.3000116.2E17 N19 G23E17-N21 VanDerWaalsContact OE1-CA 3.28Å; E17-N21 WeakPolarHBondContact OE1-CA 3.12Å; E17-N21 PolarHBondContact OE1-N 3.13Å; N19-N21 PolarHBondContact O-N 3.25Å; N21-G23 PolarHBondContact O-N 3.39Å
22S84.3Confident90.6Very high61 Ų6135.3 Ų35.343%0.42719%0.189SC..  trans-66.7-28.5173.4650000112.5E17 N19 E20 K24E17-S22 WeakPolarHBondContact CG-OG 3.34Å; E17-S22 PolarHBondContact OE1-N 3.37Å; N19-S22 VanDerWaalsContact O-CB 3.26Å; N19-S22 WeakPolarHBondContact O-CB 3.41Å; N19-S22 PolarHBondContact O-N 3.08Å; N19-S22 VanDerWaalsContact O-N 3.07Å; N19-S22 PolarHBondContact O-OG 3.12Å; E20-S22 PolarHBondContact O-N 2.95Å; S22-K24 PolarHBondContact O-N 3.32Å; S22-K24 VanDerWaalsContact O-N 3.16Å; S22-K24 PolarHBondContact OG-N 2.95Å
23G81.6Confident90.6Very high49 Ų4936.2 Ų36.251%0.50519%0.193SC..  trans66.35.5-171.700000113.9E17 N21E17-G23 PolarHBondContact OE1-N 2.85Å; N21-G23 PolarHBondContact O-N 3.39Å
24K86.3Confident90.4Very high83 Ų8336.5 Ų36.536%0.36120%0.199SC..  trans-100.4120.5178.1-179.8167.8176.5147.60109.2S22 D250S22-K24 PolarHBondContact O-N 3.32Å; S22-K24 VanDerWaalsContact O-N 3.16Å; S22-K24 PolarHBondContact OG-N 2.95Å; K24-D250 WeakPolarHBondContact CE-OD1 3.34Å; K24-D250 IonicContact NZ-OD1 3.9Å; K24-D250 PolarHBondContact NZ-OD1 2.85Å
25F90.8Very high90.1Very high14 Ų1446.1 Ų46.16%0.06124%0.236CC..  trans-99.8138.5176.6-71.5-95.9000109.7D15 E17 A77 F91 Q93 M253D15-F25 HydrophobicContact CB-CB 3.95Å; D15-F25 HydrophobicContact CB-CD1 4.5Å; E17-F25 HydrophobicContact CB-CD1 4.07Å; E17-F25 HydrophobicContact CB-CE1 3.81Å; E17-F25 HydrophobicContact CB-CZ 4.04Å; F25-A77 HydrophobicContact CE2-CB 4.03Å; F25-A77 HydrophobicContact CZ-CB 3.99Å; F25-F91 HydrophobicContact CE1-CB 4.13Å; F25-F91 HydrophobicContact CZ-CB 4.2Å; F25-Q93 HydrophobicContact CD1-CB 4.17Å; F25-Q93 HydrophobicContact CE1-CB 4.31Å; F25-M253 HydrophobicContact CB-CE 4.36Å; F25-M253 HydrophobicContact CB-SD 3.86Å
26L91.6Very high90Very high16 Ų1652 Ų528%0.08426%0.263CS..EExtended strand (participates in β ladder)trans-119.6129.2177.1-66175.5000108.9D15 I16 R28 M253 D255D15-L26 CarbonylContact C-O 3.53Å; D15-L26 WeakPolarHBondContact CA-O 3.34Å; I16-L26 PolarHBondContact N-O 3.15Å; I16-L26 PolarHBondContact O-N 3.08Å; L26-R28 PolarHBondContact O-N 3.49Å; L26-M253 WeakPolarHBondContact CA-O 3.44Å; L26-D255 HydrophobicContact CD1-CB 4.22Å; L26-D255 HydrophobicContact CD2-CB 4.05Å
27R92.9Very high89.9Confident63 Ų6353.7 Ų53.724%0.23827%0.272CS..EExtended strand (participates in β ladder)trans-71.6121177.9-173.2164.1-165.491.5-9.6109.7F13 D15 N95 M253F13-R27 HydrophobicContact CD1-CG 4.01Å; D15-R27 VanDerWaalsContact OD1-CA 3.29Å; D15-R27 WeakPolarHBondContact OD1-CA 3.44Å; D15-R27 WeakPolarHBondContact OD1-CB 3.21Å; D15-R27 WeakPolarHBondContact OD1-CG 3.4Å; D15-R27 IonicContact OD1-CZ 3.37Å; D15-R27 IonicContact OD1-NH1 2.68Å; D15-R27 PolarHBondContact OD1-NH1 3.07Å; D15-R27 IonicContact OD2-NH1 3.27Å; R27-N95 PolarHBondContact NH1-OD1 2.86Å; R27-N95 PolarHBondContact NH2-OD1 3.31Å; R27-M253 HydrophobicContact CB-CB 3.99Å; R27-M253 PolarHBondContact N-O 3.01Å
28R94.1Very high90Very high2 Ų254.7 Ų54.71%0.00828%0.279CS..EExtended strand (participates in β ladder)trans-131.5153.2-180-58.7-64.1-173.9-139.811.6110.7F13 L14 I16 E18 L26 F30 W41 Y42 D255F13-R28 WeakPolarHBondContact CA-O 3.44Å; L14-R28 PolarHBondContact N-O 3.21Å; L14-R28 VanDerWaalsContact N-O 3.08Å; L14-R28 PolarHBondContact O-N 2.95Å; L14-R28 VanDerWaalsContact O-O 3.08Å; I16-R28 HydrophobicContact CG2-CB 4.2Å; I16-R28 HydrophobicContact CG2-CG 3.6Å; E18-R28 IonicContact OE1-CZ 2.72Å; E18-R28 IonicContact OE1-NE 3.61Å; E18-R28 PolarHBondContact OE1-NE 2.79Å; E18-R28 IonicContact OE1-NH2 3.94Å; E18-R28 PolarHBondContact OE1-NH2 2.94Å; E18-R28 IonicContact OE2-NH2 3.13Å; L26-R28 PolarHBondContact O-N 3.49Å; R28-F30 HydrophobicContact CB-CD2 4.28Å; R28-F30 HydrophobicContact CB-CE2 3.71Å; R28-F30 HydrophobicContact CB-CZ 4.3Å; R28-W41 HydrophobicContact CB-CB 4.07Å; R28-W41 HydrophobicContact CB-CG 4.22Å; R28-Y42 WeakPolarHBondContact CA-O 3.43Å; R28-Y42 WeakPolarHBondContact CB-O 3.48Å; R28-D255 IonicContact CZ-OD1 2.7Å; R28-D255 IonicContact CZ-OD2 3.2Å; R28-D255 IonicContact NH1-OD1 2.58Å; R28-D255 PolarHBondContact NH1-OD1 2.88Å; R28-D255 IonicContact NH1-OD2 2.82Å; R28-D255 VanDerWaalsContact NH2-CG 3.33Å; R28-D255 IonicContact NH2-OD1 2.79Å; R28-D255 PolarHBondContact NH2-OD1 3Å; R28-D255 IonicContact NH2-OD2 3.45Å; R28-D255 PolarHBondContact NH2-OD2 2.85Å
29Y93.8Very high90.4Very high3 Ų352.6 Ų52.61%0.01227%0.27CS..EExtended strand (participates in β ladder)trans-96113.1174.1-172.7-90.7000109.5Y3 C11 F13 I31 W41 Y42 D44 N45Y3-Y29 HydrophobicContact CE1-CE2 4.49Å; Y3-Y29 PolarHBondContact OH-OH 2.76Å; C11-Y29 HydrophobicContact CB-CE1 4.02Å; C11-Y29 VanDerWaalsContact CB-OH 3.24Å; C11-Y29 WeakPolarHBondContact CB-OH 3.45Å; F13-Y29 HydrophobicContact CD1-CD2 4.12Å; F13-Y29 AromaticContact CD2-CD2 3.94Å; F13-Y29 HydrophobicContact CD2-CD2 3.94Å; F13-Y29 HydrophobicContact CD2-CE2 4.44Å; F13-Y29 AromaticContact CE1-CD2 3.88Å; F13-Y29 HydrophobicContact CE1-CD2 3.88Å; F13-Y29 HydrophobicContact CE1-CG 4.37Å; F13-Y29 AromaticContact CE2-CD2 3.67Å; F13-Y29 HydrophobicContact CE2-CD2 3.67Å; F13-Y29 HydrophobicContact CE2-CE2 4.15Å; F13-Y29 HydrophobicContact CG-CD2 4.16Å; F13-Y29 AromaticContact CZ-CD2 3.65Å; F13-Y29 HydrophobicContact CZ-CD2 3.65Å; F13-Y29 HydrophobicContact CZ-CE2 4.46Å; F13-Y29 HydrophobicContact CZ-CG 4.46Å; Y29-I31 HydrophobicContact CD1-CD1 4.33Å; Y29-I31 HydrophobicContact CD1-CG1 3.94Å; Y29-I31 HydrophobicContact CE1-CD1 4.01Å; Y29-I31 HydrophobicContact CE1-CG1 3.69Å; Y29-W41 CarbonylContact O-C 3.56Å; Y29-W41 WeakPolarHBondContact O-CA 3.46Å; Y29-Y42 PolarHBondContact N-O 2.82Å; Y29-Y42 PolarHBondContact O-N 2.94Å; Y29-D44 WeakPolarHBondContact CB-O 3.39Å; Y29-N45 HydrophobicContact CD1-CB 4.32Å; Y29-N45 HydrophobicContact CD2-CB 3.86Å; Y29-N45 HydrophobicContact CE1-CB 4.28Å; Y29-N45 HydrophobicContact CE2-CB 3.82Å; Y29-N45 HydrophobicContact CG-CB 4.09Å
30F96.7Very high91Very high0 Ų047.6 Ų47.60%024%0.243CC..EExtended strand (participates in β ladder)trans-92144.9-178.7-73.5-96.9000111.4C11 G12 L14 I16 R28 F39 V40 W41 L92 W103C11-F30 VanDerWaalsContact CA-O 3.23Å; C11-F30 WeakPolarHBondContact CA-O 3.25Å; G12-F30 PolarHBondContact N-O 3.34Å; G12-F30 PolarHBondContact O-N 2.97Å; L14-F30 HydrophobicContact CB-CD2 3.66Å; L14-F30 HydrophobicContact CB-CE2 3.62Å; L14-F30 HydrophobicContact CD1-CD2 4Å; L14-F30 HydrophobicContact CD1-CE2 4.34Å; L14-F30 HydrophobicContact CD1-CG 4.22Å; L14-F30 HydrophobicContact CG-CD2 4.18Å; I16-F30 HydrophobicContact CB-CE2 4.39Å; I16-F30 HydrophobicContact CB-CZ 3.88Å; I16-F30 HydrophobicContact CD1-CE1 4.25Å; I16-F30 HydrophobicContact CD1-CZ 3.83Å; I16-F30 HydrophobicContact CG1-CZ 4.43Å; I16-F30 HydrophobicContact CG2-CE2 4.29Å; I16-F30 HydrophobicContact CG2-CZ 3.9Å; R28-F30 HydrophobicContact CB-CD2 4.28Å; R28-F30 HydrophobicContact CB-CE2 3.71Å; R28-F30 HydrophobicContact CB-CZ 4.3Å; F30-F39 HydrophobicContact CB-CE2 3.85Å; F30-F39 HydrophobicContact CB-CZ 3.99Å; F30-F39 HydrophobicContact CD1-CD1 4.2Å; F30-F39 HydrophobicContact CD1-CD2 4.4Å; F30-F39 AromaticContact CD1-CE1 3.47Å; F30-F39 HydrophobicContact CD1-CE1 3.47Å; F30-F39 VanDerWaalsContact CD1-CE1 3.47Å; F30-F39 AromaticContact CD1-CE2 3.7Å; F30-F39 HydrophobicContact CD1-CE2 3.7Å; F30-F39 AromaticContact CD1-CZ 3.18Å; F30-F39 HydrophobicContact CD1-CZ 3.18Å; F30-F39 HydrophobicContact CE1-CD1 4.48Å; F30-F39 AromaticContact CE1-CE1 3.75Å; F30-F39 HydrophobicContact CE1-CE1 3.75Å; F30-F39 AromaticContact CE1-CZ 3.91Å; F30-F39 HydrophobicContact CE1-CZ 3.91Å; F30-F39 HydrophobicContact CG-CE1 4.5Å; F30-F39 HydrophobicContact CG-CE2 4.17Å; F30-F39 AromaticContact CG-CZ 3.83Å; F30-F39 HydrophobicContact CG-CZ 3.83Å; F30-V40 CarbonylContact C-O 3.6Å; F30-V40 WeakPolarHBondContact CA-O 3.5Å; F30-W41 HydrophobicContact CD1-CB 3.6Å; F30-W41 HydrophobicContact CD1-CD2 4.34Å; F30-W41 HydrophobicContact CD1-CE3 4.06Å; F30-W41 HydrophobicContact CD1-CG 4.21Å; F30-W41 HydrophobicContact CD2-CB 4.11Å; F30-W41 HydrophobicContact CE1-CB 3.6Å; F30-W41 AromaticContact CE1-CD2 3.64Å; F30-W41 HydrophobicContact CE1-CD2 3.64Å; F30-W41 AromaticContact CE1-CE3 3.52Å; F30-W41 HydrophobicContact CE1-CE3 3.52Å; F30-W41 AromaticContact CE1-CG 3.72Å; F30-W41 HydrophobicContact CE1-CG 3.72Å; F30-W41 HydrophobicContact CE1-CZ3 4.37Å; F30-W41 HydrophobicContact CE2-CB 4.11Å; F30-W41 HydrophobicContact CE2-CG 4.47Å; F30-W41 HydrophobicContact CG-CB 3.86Å; F30-W41 HydrophobicContact CZ-CB 3.85Å; F30-W41 HydrophobicContact CZ-CD2 4.07Å; F30-W41 HydrophobicContact CZ-CE3 4.37Å; F30-W41 AromaticContact CZ-CG 3.86Å; F30-W41 HydrophobicContact CZ-CG 3.86Å; F30-L92 HydrophobicContact CE1-CD2 3.84Å; F30-L92 HydrophobicContact CE2-CD2 4.22Å; F30-L92 HydrophobicContact CZ-CD2 3.65Å; F30-W103 HydrophobicContact CB-CH2 3.79Å; F30-W103 HydrophobicContact CB-CZ2 4.33Å
31I96.4Very high91.7Very high5 Ų544 Ų443%0.02623%0.226CC..EExtended strand (participates in β ladder)trans-131117.4171.9-57.6-177.4000107.1R9 Y29 V40 Y42 P46R9-I31 HydrophobicContact CB-CG2 4.1Å; Y29-I31 HydrophobicContact CD1-CD1 4.33Å; Y29-I31 HydrophobicContact CD1-CG1 3.94Å; Y29-I31 HydrophobicContact CE1-CD1 4.01Å; Y29-I31 HydrophobicContact CE1-CG1 3.69Å; I31-V40 HydrophobicContact CB-CG2 3.9Å; I31-V40 PolarHBondContact N-O 3.19Å; I31-V40 PolarHBondContact O-N 3.24Å; I31-Y42 HydrophobicContact CD1-CD2 4.35Å; I31-Y42 HydrophobicContact CD1-CE2 4.1Å; I31-P46 HydrophobicContact CD1-CG 3.76Å
32L95.9Very high92.2Very high1 Ų140.3 Ų40.31%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-100.1107.7172.8172.860.7000108.6I10 T34 F39 L61 V106 L107 A110I10-L32 HydrophobicContact CB-CB 4.12Å; I10-L32 HydrophobicContact CB-CD2 4.27Å; I10-L32 HydrophobicContact CB-CG 4.48Å; I10-L32 HydrophobicContact CD1-CD2 4.25Å; I10-L32 PolarHBondContact N-O 3.15Å; I10-L32 WeakPolarHBondContact O-CB 3.33Å; I10-L32 PolarHBondContact O-N 3.47Å; L32-T34 HydrophobicContact CG-CG2 4.49Å; L32-F39 HydrophobicContact CB-CD2 3.75Å; L32-F39 HydrophobicContact CB-CE2 4.01Å; L32-F39 HydrophobicContact CD1-CB 4.45Å; L32-F39 HydrophobicContact CD1-CD2 4.01Å; L32-F39 HydrophobicContact CG-CD2 4.45Å; L32-L61 HydrophobicContact CD1-CD1 3.92Å; L32-L61 HydrophobicContact CD1-CD2 3.3Å; L32-L61 HydrophobicContact CD1-CG 4.24Å; L32-V106 HydrophobicContact CD2-CB 4.4Å; L32-V106 HydrophobicContact CD2-CG2 4.19Å; L32-L107 HydrophobicContact CD1-CD2 4.19Å; L32-L107 HydrophobicContact CD2-CD2 3.99Å; L32-L107 HydrophobicContact CD2-CG 4.48Å; L32-A110 HydrophobicContact CD1-CB 4.03Å; L32-A110 HydrophobicContact CD2-CB 4Å; L32-A110 HydrophobicContact CG-CB 4.41Å
33D94.6Very high92.3Very high20 Ų2038.4 Ų38.411%0.10719%0.188CC..EExtended strand (participates in β ladder)trans-108.2104175.1-164.9-33000109.5R9 R35 E36 D37 S38R9-D33 WeakPolarHBondContact CD-OD2 3.35Å; R9-D33 HydrophobicContact CG-CB 4.25Å; D33-R35 VanDerWaalsContact C-N 3.25Å; D33-R35 PolarHBondContact O-N 3.29Å; D33-R35 WeakPolarHBondContact OD1-CA 3.31Å; D33-R35 WeakPolarHBondContact OD1-CB 3.37Å; D33-R35 PolarHBondContact OD1-N 3.33Å; D33-E36 HydrophobicContact CB-CB 4.24Å; D33-E36 PolarHBondContact OD1-N 3.37Å; D33-E36 VanDerWaalsContact OD1-N 3.09Å; D33-D37 PolarHBondContact O-N 3.01Å; D33-S38 PolarHBondContact N-O 3.31Å; D33-S38 PolarHBondContact O-N 3.17Å
34T91.1Very high92.5Very high60 Ų6036.4 Ų36.437%0.36817%0.165SC..THydrogen-bonded Turntrans-73.9-17.3178.556.90000113.1L32 L61 A110L32-T34 HydrophobicContact CG-CG2 4.49Å; T34-L61 HydrophobicContact CG2-CD1 4.45Å; T34-A110 HydrophobicContact CG2-CB 3.71Å
35R90.1Very high92.6Very high202 Ų20233.4 Ų33.476%0.76215%0.153SC*.THydrogen-bonded Turntrans-81.7-39.4179.7-59.417461.4-162.6-3.4110.5D33D33-R35 VanDerWaalsContact C-N 3.25Å; D33-R35 PolarHBondContact O-N 3.29Å; D33-R35 WeakPolarHBondContact OD1-CA 3.31Å; D33-R35 WeakPolarHBondContact OD1-CB 3.37Å; D33-R35 PolarHBondContact OD1-N 3.33Å
36E91.1Very high92.4Very high139 Ų13934.7 Ų34.765%0.6516%0.163SC*.THydrogen-bonded Turntrans-92.88.8-179.1-64.2-64.2130.900113.7D33 S38D33-E36 HydrophobicContact CB-CB 4.24Å; D33-E36 PolarHBondContact OD1-N 3.37Å; D33-E36 VanDerWaalsContact OD1-N 3.09Å; E36-S38 PolarHBondContact O-N 3.48Å
37D92.3Very high91.9Very high34 Ų3440.1 Ų40.118%0.18219%0.188CC..THydrogen-bonded Turntrans49.743.2-175.8-176.838.9000112.1D33 K60 L61 T62D33-D37 PolarHBondContact O-N 3.01Å; D37-K60 VanDerWaalsContact O-CA 3.23Å; D37-K60 WeakPolarHBondContact O-CA 3.44Å; D37-L61 PolarHBondContact O-N 3.46Å; D37-L61 VanDerWaalsContact OD1-CA 3.29Å; D37-L61 WeakPolarHBondContact OD1-CA 3.49Å; D37-L61 WeakPolarHBondContact OD1-CB 3.36Å; D37-L61 PolarHBondContact OD1-N 2.78Å; D37-T62 PolarHBondContact OD1-N 2.85Å; D37-T62 WeakPolarHBondContact OD2-CB 3.42Å; D37-T62 WeakPolarHBondContact OD2-CG2 3.19Å; D37-T62 PolarHBondContact OD2-OG1 2.97Å
38S94.5Very high91.1Very high25 Ų2541 Ų4118%0.17520%0.197CC..EExtended strand (participates in β ladder)trans-133.9134.3-171.878.40000113.8D33 E36D33-S38 PolarHBondContact N-O 3.31Å; D33-S38 PolarHBondContact O-N 3.17Å; E36-S38 PolarHBondContact O-N 3.48Å
39F95.9Very high90.1Very high0 Ų041.8 Ų41.80%020%0.202CC..EExtended strand (participates in β ladder)trans-118.5103166.9-169.2-131.8000108.1F30 L32 A58 I59 L61 M83 L92 W103 L107F30-F39 HydrophobicContact CB-CE2 3.85Å; F30-F39 HydrophobicContact CB-CZ 3.99Å; F30-F39 HydrophobicContact CD1-CD1 4.2Å; F30-F39 HydrophobicContact CD1-CD2 4.4Å; F30-F39 AromaticContact CD1-CE1 3.47Å; F30-F39 HydrophobicContact CD1-CE1 3.47Å; F30-F39 VanDerWaalsContact CD1-CE1 3.47Å; F30-F39 AromaticContact CD1-CE2 3.7Å; F30-F39 HydrophobicContact CD1-CE2 3.7Å; F30-F39 AromaticContact CD1-CZ 3.18Å; F30-F39 HydrophobicContact CD1-CZ 3.18Å; F30-F39 HydrophobicContact CE1-CD1 4.48Å; F30-F39 AromaticContact CE1-CE1 3.75Å; F30-F39 HydrophobicContact CE1-CE1 3.75Å; F30-F39 AromaticContact CE1-CZ 3.91Å; F30-F39 HydrophobicContact CE1-CZ 3.91Å; F30-F39 HydrophobicContact CG-CE1 4.5Å; F30-F39 HydrophobicContact CG-CE2 4.17Å; F30-F39 AromaticContact CG-CZ 3.83Å; F30-F39 HydrophobicContact CG-CZ 3.83Å; L32-F39 HydrophobicContact CB-CD2 3.75Å; L32-F39 HydrophobicContact CB-CE2 4.01Å; L32-F39 HydrophobicContact CD1-CB 4.45Å; L32-F39 HydrophobicContact CD1-CD2 4.01Å; L32-F39 HydrophobicContact CG-CD2 4.45Å; F39-A58 WeakPolarHBondContact O-CA 3.27Å; F39-I59 WeakPolarHBondContact CA-O 3.46Å; F39-I59 PolarHBondContact N-O 2.76Å; F39-I59 PolarHBondContact O-N 2.87Å; F39-L61 HydrophobicContact CB-CD2 3.73Å; F39-M83 HydrophobicContact CD1-CE 4.06Å; F39-M83 HydrophobicContact CD1-SD 3.97Å; F39-M83 HydrophobicContact CE1-CE 4.11Å; F39-M83 HydrophobicContact CE1-SD 4.06Å; F39-L92 HydrophobicContact CE1-CD2 4.47Å; F39-W103 HydrophobicContact CE2-CH2 4.31Å; F39-W103 AromaticContact CE2-CZ3 3.75Å; F39-W103 HydrophobicContact CE2-CZ3 3.75Å; F39-W103 HydrophobicContact CZ-CZ3 4.06Å; F39-L107 HydrophobicContact CD1-CD2 4.31Å; F39-L107 HydrophobicContact CD2-CD2 4.1Å; F39-L107 HydrophobicContact CE1-CD2 4.14Å; F39-L107 HydrophobicContact CE2-CD2 3.93Å; F39-L107 HydrophobicContact CG-CD2 4.28Å; F39-L107 HydrophobicContact CZ-CD1 4.31Å; F39-L107 HydrophobicContact CZ-CD2 3.93Å
40V95.8Very high88.8Confident10 Ų1043.3 Ų43.36%0.06121%0.212CC..EExtended strand (participates in β ladder)trans-117.4154.4-174.2-590000110.1F30 I31 Y42 G57 A58F30-V40 CarbonylContact C-O 3.6Å; F30-V40 WeakPolarHBondContact CA-O 3.5Å; I31-V40 HydrophobicContact CB-CG2 3.9Å; I31-V40 PolarHBondContact N-O 3.19Å; I31-V40 PolarHBondContact O-N 3.24Å; V40-Y42 HydrophobicContact CB-CE2 4.48Å; V40-Y42 HydrophobicContact CG2-CE2 3.8Å; V40-G57 WeakPolarHBondContact CA-O 3.44Å; V40-A58 HydrophobicContact CG1-CB 3.81Å
41W95.1Very high87.5Confident14 Ų1449.6 Ų49.65%0.05326%0.255CS..EExtended strand (participates in β ladder)trans-138.9152.5173.962.695.2000112.9I16 R28 Y29 F30 V56 G57 I59I16-W41 HydrophobicContact CD1-CH2 4.43Å; I16-W41 HydrophobicContact CD1-CZ2 4.1Å; R28-W41 HydrophobicContact CB-CB 4.07Å; R28-W41 HydrophobicContact CB-CG 4.22Å; Y29-W41 CarbonylContact O-C 3.56Å; Y29-W41 WeakPolarHBondContact O-CA 3.46Å; F30-W41 HydrophobicContact CD1-CB 3.6Å; F30-W41 HydrophobicContact CD1-CD2 4.34Å; F30-W41 HydrophobicContact CD1-CE3 4.06Å; F30-W41 HydrophobicContact CD1-CG 4.21Å; F30-W41 HydrophobicContact CD2-CB 4.11Å; F30-W41 HydrophobicContact CE1-CB 3.6Å; F30-W41 AromaticContact CE1-CD2 3.64Å; F30-W41 HydrophobicContact CE1-CD2 3.64Å; F30-W41 AromaticContact CE1-CE3 3.52Å; F30-W41 HydrophobicContact CE1-CE3 3.52Å; F30-W41 AromaticContact CE1-CG 3.72Å; F30-W41 HydrophobicContact CE1-CG 3.72Å; F30-W41 HydrophobicContact CE1-CZ3 4.37Å; F30-W41 HydrophobicContact CE2-CB 4.11Å; F30-W41 HydrophobicContact CE2-CG 4.47Å; F30-W41 HydrophobicContact CG-CB 3.86Å; F30-W41 HydrophobicContact CZ-CB 3.85Å; F30-W41 HydrophobicContact CZ-CD2 4.07Å; F30-W41 HydrophobicContact CZ-CE3 4.37Å; F30-W41 AromaticContact CZ-CG 3.86Å; F30-W41 HydrophobicContact CZ-CG 3.86Å; W41-V56 PolarHBondContact O-N 3.25Å; W41-G57 VanDerWaalsContact CE2-CA 3.47Å; W41-G57 VanDerWaalsContact CZ2-CA 3.5Å; W41-G57 PolarHBondContact N-O 2.78Å; W41-G57 PolarHBondContact O-N 2.77Å; W41-I59 HydrophobicContact CH2-CD1 3.68Å; W41-I59 HydrophobicContact CH2-CG1 3.87Å; W41-I59 HydrophobicContact CZ3-CB 4.46Å; W41-I59 HydrophobicContact CZ3-CD1 3.68Å; W41-I59 HydrophobicContact CZ3-CG1 3.79Å
42Y91.9Very high86.4Confident46 Ų4653.3 Ų53.318%0.1830%0.295CS..EExtended strand (participates in β ladder)trans-126.3163.3-175.7-66.9-97.6000109.9R28 Y29 I31 V40 D44 P46 L49 R55R28-Y42 WeakPolarHBondContact CA-O 3.43Å; R28-Y42 WeakPolarHBondContact CB-O 3.48Å; Y29-Y42 PolarHBondContact N-O 2.82Å; Y29-Y42 PolarHBondContact O-N 2.94Å; I31-Y42 HydrophobicContact CD1-CD2 4.35Å; I31-Y42 HydrophobicContact CD1-CE2 4.1Å; V40-Y42 HydrophobicContact CB-CE2 4.48Å; V40-Y42 HydrophobicContact CG2-CE2 3.8Å; Y42-D44 WeakPolarHBondContact CB-O 3.41Å; Y42-D44 PolarHBondContact O-N 2.78Å; Y42-P46 HydrophobicContact CD1-CG 3.98Å; Y42-P46 HydrophobicContact CD2-CG 3.46Å; Y42-P46 VanDerWaalsContact CD2-CG 3.46Å; Y42-P46 HydrophobicContact CE1-CG 4.16Å; Y42-P46 HydrophobicContact CE2-CG 3.66Å; Y42-P46 HydrophobicContact CG-CG 3.63Å; Y42-L49 HydrophobicContact CD1-CD1 4.24Å; Y42-R55 HydrophobicContact CD1-CB 4.13Å; Y42-R55 HydrophobicContact CE1-CB 3.72Å; Y42-R55 HydrophobicContact CE2-CB 4.2Å
43M85.9Confident85.5Confident21 Ų2154.7 Ų54.710%0.10331%0.305CS..SBendtrans-60.6-28.6175.4-62.5-175.875.300112.4V56 R254 Q270M43-V56 HydrophobicContact CB-CG2 4.35Å; M43-V56 HydrophobicContact CG-CG2 3.43Å; M43-V56 VanDerWaalsContact CG-CG2 3.43Å; M43-R254 PolarHBondContact O-NH1 3.15Å; M43-Q270 HydrophobicContact CE-CG 3.81Å
44D86.3Confident84.9Confident6 Ų658.6 Ų58.63%0.03233%0.334CS..SBendtrans-156.4-179.5175.3-145.4-66.5000108.8F13 Y29 Y42 P46 L49 W208 R254F13-D44 WeakPolarHBondContact CZ-OD1 3.44Å; Y29-D44 WeakPolarHBondContact CB-O 3.39Å; Y42-D44 WeakPolarHBondContact CB-O 3.41Å; Y42-D44 PolarHBondContact O-N 2.78Å; D44-P46 WeakPolarHBondContact O-CD 3.3Å; D44-L49 HydrophobicContact CB-CD2 4.06Å; D44-L49 HydrophobicContact CB-CG 4.42Å; D44-W208 WeakPolarHBondContact OD2-CB 3.38Å; D44-R254 IonicContact OD2-CZ 2.82Å; D44-R254 IonicContact OD2-NH1 3.38Å; D44-R254 PolarHBondContact OD2-NH1 3.1Å; D44-R254 IonicContact OD2-NH2 2.83Å; D44-R254 PolarHBondContact OD2-NH2 2.75Å
45N87.4Confident84.9Confident20 Ų2062.4 Ų62.411%0.10734%0.342CS..  trans-54.5124.4174.4-178-22000109.9Y29 Q47 N48 L49Y29-N45 HydrophobicContact CD1-CB 4.32Å; Y29-N45 HydrophobicContact CD2-CB 3.86Å; Y29-N45 HydrophobicContact CE1-CB 4.28Å; Y29-N45 HydrophobicContact CE2-CB 3.82Å; Y29-N45 HydrophobicContact CG-CB 4.09Å; N45-Q47 PolarHBondContact O-N 2.7Å; N45-Q47 WeakPolarHBondContact OD1-CB 3.49Å; N45-Q47 PolarHBondContact OD1-N 3.06Å; N45-N48 WeakPolarHBondContact O-CA 3.13Å; N45-N48 WeakPolarHBondContact O-CB 3.33Å; N45-N48 PolarHBondContact O-N 3.12Å; N45-L49 PolarHBondContact O-N 2.73Å
46P86.2Confident84.9Confident41 Ų4155.3 Ų55.327%0.26632%0.321SS..G310 helixtrans-54.2-26.7-179.7-31.338.4000115I31 Y42 D44 N48 L49I31-P46 HydrophobicContact CD1-CG 3.76Å; Y42-P46 HydrophobicContact CD1-CG 3.98Å; Y42-P46 HydrophobicContact CD2-CG 3.46Å; Y42-P46 VanDerWaalsContact CD2-CG 3.46Å; Y42-P46 HydrophobicContact CE1-CG 4.16Å; Y42-P46 HydrophobicContact CE2-CG 3.66Å; Y42-P46 HydrophobicContact CG-CG 3.63Å; D44-P46 WeakPolarHBondContact O-CD 3.3Å; P46-N48 PolarHBondContact O-N 2.88Å; P46-L49 PolarHBondContact O-N 2.83Å; P46-L49 VanDerWaalsContact O-N 3.13Å
47Q81.8Confident85Confident131 Ų13149.4 Ų49.461%0.61230%0.297SS*.G310 helixtrans-68-23.3174.3-61.5-177.812.600113N45N45-Q47 PolarHBondContact O-N 2.7Å; N45-Q47 WeakPolarHBondContact OD1-CB 3.49Å; N45-Q47 PolarHBondContact OD1-N 3.06Å
48N75.7Confident85.1Confident80 Ų8050 Ų5043%0.42831%0.307SS..G310 helixtrans-91-5174.4-64.3-30000112.5N45 P46 R210N45-N48 WeakPolarHBondContact O-CA 3.13Å; N45-N48 WeakPolarHBondContact O-CB 3.33Å; N45-N48 PolarHBondContact O-N 3.12Å; P46-N48 PolarHBondContact O-N 2.88Å; N48-R210 WeakPolarHBondContact O-CB 3.4Å
49L73.8Confident85.1Confident20 Ų2049.3 Ų49.311%0.10530%0.301CS..SBendtrans-103.7155-179.2-60.3179.1000110.5Y42 D44 N45 P46 V199Y42-L49 HydrophobicContact CD1-CD1 4.24Å; D44-L49 HydrophobicContact CB-CD2 4.06Å; D44-L49 HydrophobicContact CB-CG 4.42Å; N45-L49 PolarHBondContact O-N 2.73Å; P46-L49 PolarHBondContact O-N 2.83Å; P46-L49 VanDerWaalsContact O-N 3.13Å; L49-V199 HydrophobicContact CD2-CG2 4.41Å
50P65.5Low85Confident35 Ų3554.5 Ų54.523%0.22732%0.323CS..PPolyproline II helixtrans-57.5146.5174.2-25.231.9000111.8G52 S53 Y197 R210P50-G52 PolarHBondContact O-N 3.31Å; P50-S53 VanDerWaalsContact CD-OG 3.29Å; P50-S53 WeakPolarHBondContact CD-OG 3.45Å; P50-S53 WeakPolarHBondContact O-CB 3.35Å; P50-S53 PolarHBondContact O-N 2.84Å; P50-S53 PolarHBondContact O-OG 2.81Å; P50-Y197 HydrophobicContact CG-CD1 4.14Å; P50-Y197 HydrophobicContact CG-CD2 4.5Å; P50-Y197 HydrophobicContact CG-CE1 4.48Å; P50-Y197 HydrophobicContact CG-CG 4.15Å; P50-R210 HydrophobicContact CG-CG 3.96Å
51S70.3Confident84.8Confident131 Ų13154 Ų5492%0.91632%0.321SS*.THydrogen-bonded Turntrans-49.6126.3169.5-57.90000110.5
52G72.5Confident84.6Confident84 Ų8457 Ų5787%0.86634%0.34SS*.THydrogen-bonded Turntrans86.25.4-179.100000115.5P50 S54P50-G52 PolarHBondContact O-N 3.31Å; G52-S54 PolarHBondContact O-N 2.88Å
53S77.6Confident84.7Confident30 Ų3061.4 Ų61.421%0.2136%0.358CS..PPolyproline II helixtrans-56129.7172.8-630000111P50P50-S53 VanDerWaalsContact CD-OG 3.29Å; P50-S53 WeakPolarHBondContact CD-OG 3.45Å; P50-S53 WeakPolarHBondContact O-CB 3.35Å; P50-S53 PolarHBondContact O-N 2.84Å; P50-S53 PolarHBondContact O-OG 2.81Å
54S82.5Confident85.1Confident102 Ų10260.9 Ų60.971%0.71336%0.355SS*.PPolyproline II helixtrans-67.2146.5178.151.60000110.7G52G52-S54 PolarHBondContact O-N 2.88Å
55R90.5Very high85.4Confident139 Ų13964.8 Ų64.853%0.52538%0.383SS..PPolyproline II helixtrans-68.5143.2164.959.4-169176179.3-6.3109.4Y42Y42-R55 HydrophobicContact CD1-CB 4.13Å; Y42-R55 HydrophobicContact CE1-CB 3.72Å; Y42-R55 HydrophobicContact CE2-CB 4.2Å
56V90.6Very high85.7Confident54 Ų5469.3 Ų69.333%0.32740%0.402SS..SBendtrans-72.4-39.4175.8177.70000109.9E18 W41 M43E18-V56 VanDerWaalsContact OE1-CG1 3.28Å; E18-V56 WeakPolarHBondContact OE1-CG1 3.4Å; W41-V56 PolarHBondContact O-N 3.25Å; M43-V56 HydrophobicContact CB-CG2 4.35Å; M43-V56 HydrophobicContact CG-CG2 3.43Å; M43-V56 VanDerWaalsContact CG-CG2 3.43Å
57G92.3Very high86.1Confident14 Ų1467.6 Ų67.614%0.14439%0.39CS..EExtended strand (participates in β ladder)trans-157.5168.3174.400000113.4V40 W41V40-G57 WeakPolarHBondContact CA-O 3.44Å; W41-G57 VanDerWaalsContact CE2-CA 3.47Å; W41-G57 VanDerWaalsContact CZ2-CA 3.5Å; W41-G57 PolarHBondContact N-O 2.78Å; W41-G57 PolarHBondContact O-N 2.77Å
58A94.5Very high86.8Confident47 Ų4763 Ų6339%0.38837%0.372SS..EExtended strand (participates in β ladder)trans-151.1136.2-177.300000110.2F39 V40F39-A58 WeakPolarHBondContact O-CA 3.27Å; V40-A58 HydrophobicContact CG1-CB 3.81Å
59I94.8Very high87.7Confident10 Ų1062.8 Ų62.85%0.05137%0.371CS..EExtended strand (participates in β ladder)trans-132.6134172.8-64.7165.9000106.9F39 W41 I64 M83 A85 Y90F39-I59 WeakPolarHBondContact CA-O 3.46Å; F39-I59 PolarHBondContact N-O 2.76Å; F39-I59 PolarHBondContact O-N 2.87Å; W41-I59 HydrophobicContact CH2-CD1 3.68Å; W41-I59 HydrophobicContact CH2-CG1 3.87Å; W41-I59 HydrophobicContact CZ3-CB 4.46Å; W41-I59 HydrophobicContact CZ3-CD1 3.68Å; W41-I59 HydrophobicContact CZ3-CG1 3.79Å; I59-I64 HydrophobicContact CG2-CD1 4.12Å; I59-I64 HydrophobicContact CG2-CG1 3.71Å; I59-M83 HydrophobicContact CD1-CE 3.42Å; I59-M83 VanDerWaalsContact CD1-CE 3.42Å; I59-A85 HydrophobicContact CG2-CB 3.88Å; I59-Y90 HydrophobicContact CD1-CD1 4.12Å; I59-Y90 HydrophobicContact CD1-CD2 3.68Å; I59-Y90 HydrophobicContact CD1-CE1 3.86Å; I59-Y90 HydrophobicContact CD1-CE2 3.41Å; I59-Y90 VanDerWaalsContact CD1-CE2 3.41Å; I59-Y90 HydrophobicContact CD1-CG 4.02Å; I59-Y90 VanDerWaalsContact CD1-CZ 3.49Å; I59-Y90 HydrophobicContact CG1-CE2 4.29Å
60K93.2Very high88.6Confident109 Ų10961.9 Ų61.947%0.47437%0.367SS..EExtended strand (participates in β ladder)trans-76.8142.2172.2-67.1-169.8174.6-173.50110.3D37 T62 Y63D37-K60 VanDerWaalsContact O-CA 3.23Å; D37-K60 WeakPolarHBondContact O-CA 3.44Å; K60-T62 PolarHBondContact O-N 2.99Å; K60-Y63 HydrophobicContact CB-CD2 3.82Å; K60-Y63 HydrophobicContact CB-CE2 4.07Å; K60-Y63 HydrophobicContact CB-CG 4.14Å; K60-Y63 HydrophobicContact CD-CE2 3.99Å; K60-Y63 HydrophobicContact CG-CD2 4.32Å; K60-Y63 HydrophobicContact CG-CE2 4.12Å; K60-Y63 WeakPolarHBondContact O-CB 3.31Å; K60-Y63 PolarHBondContact O-N 2.85Å
61L92.8Very high89.7Confident1 Ų162.3 Ų62.31%0.00537%0.369CS..G310 helixtrans-65.1-34.3-178.8-44173000110.9L32 T34 D37 F39 Y63 I64 A110 I111 T114L32-L61 HydrophobicContact CD1-CD1 3.92Å; L32-L61 HydrophobicContact CD1-CD2 3.3Å; L32-L61 HydrophobicContact CD1-CG 4.24Å; T34-L61 HydrophobicContact CG2-CD1 4.45Å; D37-L61 PolarHBondContact O-N 3.46Å; D37-L61 VanDerWaalsContact OD1-CA 3.29Å; D37-L61 WeakPolarHBondContact OD1-CA 3.49Å; D37-L61 WeakPolarHBondContact OD1-CB 3.36Å; D37-L61 PolarHBondContact OD1-N 2.78Å; F39-L61 HydrophobicContact CB-CD2 3.73Å; L61-Y63 PolarHBondContact O-N 3.38Å; L61-Y63 VanDerWaalsContact O-N 3.12Å; L61-I64 HydrophobicContact CD2-CD1 4.04Å; L61-I64 WeakPolarHBondContact O-CB 3.41Å; L61-I64 PolarHBondContact O-N 3.48Å; L61-A110 HydrophobicContact CD1-CB 4.14Å; L61-I111 HydrophobicContact CB-CG2 4.48Å; L61-T114 HydrophobicContact CB-CG2 4.14Å; L61-T114 HydrophobicContact CD1-CG2 4.14Å
62T91Very high90.4Very high75 Ų7565.7 Ų65.746%0.4637%0.367SS..G310 helixtrans-55.1-23.9170.447.30000114.7D37 K60D37-T62 PolarHBondContact OD1-N 2.85Å; D37-T62 WeakPolarHBondContact OD2-CB 3.42Å; D37-T62 WeakPolarHBondContact OD2-CG2 3.19Å; D37-T62 PolarHBondContact OD2-OG1 2.97Å; K60-T62 PolarHBondContact O-N 2.99Å
63Y93.4Very high91Very high140 Ų14067.5 Ų67.555%0.54936%0.356SS..G310 helixtrans-87.9-16.7176.3-61.9-21.4000113.2K60 L61 S65 A85 G86K60-Y63 HydrophobicContact CB-CD2 3.82Å; K60-Y63 HydrophobicContact CB-CE2 4.07Å; K60-Y63 HydrophobicContact CB-CG 4.14Å; K60-Y63 HydrophobicContact CD-CE2 3.99Å; K60-Y63 HydrophobicContact CG-CD2 4.32Å; K60-Y63 HydrophobicContact CG-CE2 4.12Å; K60-Y63 WeakPolarHBondContact O-CB 3.31Å; K60-Y63 PolarHBondContact O-N 2.85Å; L61-Y63 PolarHBondContact O-N 3.38Å; L61-Y63 VanDerWaalsContact O-N 3.12Å; Y63-S65 PolarHBondContact O-N 2.98Å; Y63-A85 CarbonylContact O-C 3.47Å; Y63-A85 WeakPolarHBondContact O-CA 3.41Å; Y63-G86 PolarHBondContact O-N 2.84Å
64I94.4Very high91.3Very high9 Ų968.6 Ų68.65%0.04636%0.356CS..EExtended strand (participates in β ladder)trans-80.7112.5179.4-56.9168.3000108.4I59 L61 V67 M83 N84 A85 I111I59-I64 HydrophobicContact CG2-CD1 4.12Å; I59-I64 HydrophobicContact CG2-CG1 3.71Å; L61-I64 HydrophobicContact CD2-CD1 4.04Å; L61-I64 WeakPolarHBondContact O-CB 3.41Å; L61-I64 PolarHBondContact O-N 3.48Å; I64-V67 HydrophobicContact CG2-CG2 3.64Å; I64-M83 HydrophobicContact CD1-CG 4.3Å; I64-M83 HydrophobicContact CD1-SD 3.43Å; I64-M83 WeakPolarHBondContact CD1-SD 3.33Å; I64-M83 HydrophobicContact CG1-CG 4.14Å; I64-M83 HydrophobicContact CG1-SD 3.81Å; I64-M83 HydrophobicContact CG2-CG 3.64Å; I64-M83 HydrophobicContact CG2-SD 4.2Å; I64-N84 CarbonylContact C-O 3.58Å; I64-N84 WeakPolarHBondContact CA-O 3.1Å; I64-A85 HydrophobicContact CG1-CB 4.1Å; I64-I111 HydrophobicContact CB-CG2 3.78Å; I64-I111 HydrophobicContact CD1-CG2 4.39Å; I64-I111 HydrophobicContact CG2-CG2 3.83Å
65S92.6Very high91.2Very high88 Ų8868.9 Ų68.962%0.61536%0.355SS*.EExtended strand (participates in β ladder)trans-89.6-30.3-178.459.70000113Y63 N84Y63-S65 PolarHBondContact O-N 2.98Å; S65-N84 PolarHBondContact N-O 3.04Å; S65-N84 PolarHBondContact OG-O 3.33Å
66K93.1Very high90.7Very high116 Ų11672.3 Ų72.350%0.50437%0.374SS..EExtended strand (participates in β ladder)trans-159.6139.7-177.2-176.1175.2179.2177.90111.5N84K66-N84 HydrophobicContact CB-CB 4.4Å; K66-N84 PolarHBondContact O-N 3.12Å
67V96.3Very high90.5Very high5 Ų569.9 Ų69.93%0.0336%0.36CS..EExtended strand (participates in β ladder)trans-124.3126.7168.9-173.60000109.2I64 F81 V82 M83 V104 L107 N108I64-V67 HydrophobicContact CG2-CG2 3.64Å; V67-F81 HydrophobicContact CG1-CD2 3.82Å; V67-F81 HydrophobicContact CG1-CE2 4.17Å; V67-V82 WeakPolarHBondContact CA-O 3.3Å; V67-M83 HydrophobicContact CG2-CB 4.28Å; V67-M83 HydrophobicContact CG2-CG 4.01Å; V67-V104 HydrophobicContact CG1-CG1 4.48Å; V67-V104 HydrophobicContact CG1-CG2 4.32Å; V67-L107 HydrophobicContact CB-CB 4.44Å; V67-L107 HydrophobicContact CG1-CB 4.28Å; V67-L107 HydrophobicContact CG1-CD1 4.16Å; V67-L107 HydrophobicContact CG2-CB 4.05Å; V67-N108 PolarHBondContact O-ND2 3.42Å; V67-N108 PolarHBondContact O-OD1 2.93Å
68S95.5Very high90.4Very high33 Ų3375.6 Ų75.623%0.23138%0.382CS..EExtended strand (participates in β ladder)trans-149.7154.7-177.655.40000112.6A70 F81 V82S68-A70 PolarHBondContact O-N 3.01Å; S68-F81 CarbonylContact O-C 3.56Å; S68-F81 WeakPolarHBondContact O-CA 3.49Å; S68-F81 WeakPolarHBondContact O-CB 3.05Å; S68-V82 PolarHBondContact N-O 3.03Å; S68-V82 PolarHBondContact O-N 3.37Å; S68-V82 WeakPolarHBondContact OG-CG1 3.34Å
69D94.8Very high90.3Very high77 Ų7776 Ų7641%0.41238%0.376SS..EExtended strand (participates in β ladder)trans-54.7132.9169.7-168.6-36.7000110.9T71D69-T71 WeakPolarHBondContact OD1-CB 3.32Å; D69-T71 PolarHBondContact OD1-N 2.97Å; D69-T71 PolarHBondContact OD1-OG1 2.9Å
70A92.6Very high90.3Very high1 Ų175.6 Ų75.61%0.00837%0.373CS..  trans-125.512.1-179.400000112.4S68 K72 L73 R74 C80 V82 F91S68-A70 PolarHBondContact O-N 3.01Å; A70-K72 PolarHBondContact O-N 3.25Å; A70-L73 HydrophobicContact CB-CB 4.38Å; A70-L73 HydrophobicContact CB-CD1 4.14Å; A70-L73 WeakPolarHBondContact O-CA 3.24Å; A70-L73 WeakPolarHBondContact O-CB 3.44Å; A70-L73 PolarHBondContact O-N 2.8Å; A70-R74 PolarHBondContact O-N 2.96Å; A70-C80 CarbonylContact C-O 3.56Å; A70-C80 VanDerWaalsContact C-O 3.29Å; A70-C80 WeakPolarHBondContact CA-O 3.48Å; A70-C80 PolarHBondContact N-O 2.75Å; A70-V82 HydrophobicContact CB-CB 3.82Å; A70-V82 HydrophobicContact CB-CG1 3.93Å; A70-F91 HydrophobicContact CB-CD1 4.39Å; A70-F91 HydrophobicContact CB-CE1 4.41Å
71T88.6Confident90.5Very high44 Ų4470.4 Ų70.427%0.2735%0.351SS..THydrogen-bonded Turntrans-56.7-37-178.9-50.50000110.9D69 R74 C80D69-T71 WeakPolarHBondContact OD1-CB 3.32Å; D69-T71 PolarHBondContact OD1-N 2.97Å; D69-T71 PolarHBondContact OD1-OG1 2.9Å; T71-R74 CarbonylContact O-C 3.58Å; T71-C80 PolarHBondContact N-O 3.47Å; T71-C80 PolarHBondContact OG1-O 3.28Å
72K85.1Confident90.6Very high202 Ų20270.7 Ų70.788%0.87835%0.353SS*.THydrogen-bonded Turntrans-71.1-28.1174.6-64.4-175.6-179.2-179.90113.9A70A70-K72 PolarHBondContact O-N 3.25Å
73L84.4Confident90.8Very high122 Ų12267.1 Ų67.164%0.63933%0.331SS*.THydrogen-bonded Turntrans-82.1-27.8179.9-61.5173000111.6A70A70-L73 HydrophobicContact CB-CB 4.38Å; A70-L73 HydrophobicContact CB-CD1 4.14Å; A70-L73 WeakPolarHBondContact O-CA 3.24Å; A70-L73 WeakPolarHBondContact O-CB 3.44Å; A70-L73 PolarHBondContact O-N 2.8Å
74R84.6Confident90.8Very high52 Ų5262.3 Ų62.320%0.19631%0.314CS..  trans-130.172.2-178.1-60.5-68.4-94.1-138.5-0.1109.9E17 A70 T71 K76 A77 C80 F91E17-R74 IonicContact OE1-CZ 3.55Å; E17-R74 IonicContact OE1-NH2 3.74Å; E17-R74 PolarHBondContact OE1-NH2 2.96Å; E17-R74 IonicContact OE2-CZ 2.88Å; E17-R74 IonicContact OE2-NH2 2.99Å; E17-R74 PolarHBondContact OE2-NH2 2.72Å; A70-R74 PolarHBondContact O-N 2.96Å; T71-R74 CarbonylContact O-C 3.58Å; R74-K76 PolarHBondContact O-N 2.86Å; R74-A77 HydrophobicContact CB-CB 4.11Å; R74-A77 CarbonylContact O-C 3.29Å; R74-A77 PolarHBondContact O-N 2.73Å; R74-A77 VanDerWaalsContact O-O 3.09Å; R74-C80 HydrophobicContact CB-CB 4.5Å; R74-F91 HydrophobicContact CG-CD1 3.9Å; R74-F91 HydrophobicContact CG-CE1 3.95Å
75P79.3Confident90.7Very high108 Ų10862.4 Ų62.470%0.70132%0.317SS*.THydrogen-bonded Turntrans-63.1-16-177.924.1-33.5000114
76K81.8Confident90.5Very high211 Ų21161.2 Ų61.292%0.91732%0.319SS*.THydrogen-bonded Turntrans-81.6-14.1173.6-64-175178.8-177.80113.8R74R74-K76 PolarHBondContact O-N 2.86Å
77A85.9Confident90.3Very high4 Ų465 Ų653%0.03334%0.341CS..SBendtrans-114.997.6179.100000108.1F25 R74 C80F25-A77 HydrophobicContact CE2-CB 4.03Å; F25-A77 HydrophobicContact CZ-CB 3.99Å; R74-A77 HydrophobicContact CB-CB 4.11Å; R74-A77 CarbonylContact O-C 3.29Å; R74-A77 PolarHBondContact O-N 2.73Å; R74-A77 VanDerWaalsContact O-O 3.09Å; A77-C80 HydrophobicContact CB-CB 3.85Å; A77-C80 WeakPolarHBondContact O-CB 3.46Å
78E89.3Confident90Very high133 Ų13370.4 Ų70.462%0.62136%0.36SS*.THydrogen-bonded Turntrans-63.3142.8179.9-61.1-175.6109.300110.8C80 Q93E78-C80 PolarHBondContact O-N 2.83Å; E78-Q93 WeakPolarHBondContact O-CG 3.49Å; E78-Q93 PolarHBondContact O-NE2 3.29Å
79F93.6Very high89.8Confident57 Ų5774 Ų7425%0.2537%0.372CS..THydrogen-bonded Turntrans52.941.2-179.3-38.8-63.9000113A94 D96 Q97 L100F79-A94 HydrophobicContact CB-CB 4.24Å; F79-A94 PolarHBondContact O-N 3.43Å; F79-D96 VanDerWaalsContact CG-C 3.47Å; F79-Q97 HydrophobicContact CD1-CB 3.92Å; F79-Q97 VanDerWaalsContact CD1-N 3.31Å; F79-Q97 HydrophobicContact CE1-CB 3.8Å; F79-L100 HydrophobicContact CB-CB 4.26Å; F79-L100 HydrophobicContact CB-CD1 4.26Å; F79-L100 WeakPolarHBondContact O-CD1 2.8Å
80C94.7Very high89.8Confident0 Ų071.6 Ų71.60%036%0.357CS..EExtended strand (participates in β ladder)trans-89.3136.7179.3-177.30000111.7A70 T71 R74 A77 E78 L92A70-C80 CarbonylContact C-O 3.56Å; A70-C80 VanDerWaalsContact C-O 3.29Å; A70-C80 WeakPolarHBondContact CA-O 3.48Å; A70-C80 PolarHBondContact N-O 2.75Å; T71-C80 PolarHBondContact N-O 3.47Å; T71-C80 PolarHBondContact OG1-O 3.28Å; R74-C80 HydrophobicContact CB-CB 4.5Å; A77-C80 HydrophobicContact CB-CB 3.85Å; A77-C80 WeakPolarHBondContact O-CB 3.46Å; E78-C80 PolarHBondContact O-N 2.83Å; C80-L92 CarbonylContact C-O 3.55Å; C80-L92 VanDerWaalsContact CA-O 3.28Å; C80-L92 WeakPolarHBondContact CA-O 3.44Å; C80-L92 PolarHBondContact SG-O 2.85Å; C80-L92 VanDerWaalsContact SG-O 3.35Å
81F96.3Very high89.9Confident0 Ų072.5 Ų72.50%036%0.361CS..EExtended strand (participates in β ladder)trans-127.4156.217068-85.9000110.9L14 V67 S68 L92 L100 W103 V104 L107L14-F81 HydrophobicContact CD1-CE1 4.3Å; L14-F81 HydrophobicContact CD1-CZ 3.79Å; L14-F81 HydrophobicContact CD2-CE1 3.91Å; L14-F81 HydrophobicContact CD2-CZ 4.25Å; V67-F81 HydrophobicContact CG1-CD2 3.82Å; V67-F81 HydrophobicContact CG1-CE2 4.17Å; S68-F81 CarbonylContact O-C 3.56Å; S68-F81 WeakPolarHBondContact O-CA 3.49Å; S68-F81 WeakPolarHBondContact O-CB 3.05Å; F81-L92 HydrophobicContact CD1-CB 4.21Å; F81-L92 HydrophobicContact CD2-CB 4.32Å; F81-L92 HydrophobicContact CD2-CD1 4.29Å; F81-L92 HydrophobicContact CE1-CB 3.69Å; F81-L92 HydrophobicContact CE2-CB 3.83Å; F81-L92 HydrophobicContact CE2-CD1 3.78Å; F81-L92 HydrophobicContact CE2-CD2 4.5Å; F81-L92 HydrophobicContact CE2-CG 4.24Å; F81-L92 HydrophobicContact CZ-CB 3.49Å; F81-L92 VanDerWaalsContact CZ-CB 3.49Å; F81-L92 HydrophobicContact CZ-CD1 4.24Å; F81-L92 HydrophobicContact CZ-CD2 4.23Å; F81-L92 HydrophobicContact CZ-CG 4.19Å; F81-L92 PolarHBondContact N-O 2.86Å; F81-L92 PolarHBondContact O-N 2.89Å; F81-L92 VanDerWaalsContact O-O 3.14Å; F81-L100 HydrophobicContact CB-CD1 4.28Å; F81-L100 HydrophobicContact CB-CG 4.5Å; F81-L100 HydrophobicContact CD1-CG 4.44Å; F81-W103 HydrophobicContact CE1-CB 4.08Å; F81-W103 HydrophobicContact CZ-CB 3.97Å; F81-V104 HydrophobicContact CB-CG2 3.67Å; F81-V104 HydrophobicContact CD1-CG2 4.34Å; F81-V104 HydrophobicContact CD2-CG2 4.02Å; F81-V104 HydrophobicContact CG-CG2 3.77Å; F81-L107 HydrophobicContact CE2-CD1 3.8Å; F81-L107 HydrophobicContact CZ-CD1 4.3Å
82V95.1Very high90.2Very high7 Ų770.4 Ų70.44%0.04235%0.348CS..EExtended strand (participates in β ladder)trans-112.713618065.30000110.2V67 S68 A70 K89 Y90 F91V67-V82 WeakPolarHBondContact CA-O 3.3Å; S68-V82 PolarHBondContact N-O 3.03Å; S68-V82 PolarHBondContact O-N 3.37Å; S68-V82 WeakPolarHBondContact OG-CG1 3.34Å; A70-V82 HydrophobicContact CB-CB 3.82Å; A70-V82 HydrophobicContact CB-CG1 3.93Å; V82-K89 HydrophobicContact CG2-CB 4.07Å; V82-Y90 WeakPolarHBondContact CA-O 3.48Å; V82-F91 HydrophobicContact CB-CD1 4.15Å; V82-F91 HydrophobicContact CB-CE1 4.09Å; V82-F91 HydrophobicContact CG2-CD1 4.2Å; V82-F91 HydrophobicContact CG2-CE1 3.97Å; V82-F91 HydrophobicContact CG2-CZ 4.24Å
83M95.3Very high90.7Very high0 Ų062.2 Ų62.20%031%0.313CS..EExtended strand (participates in β ladder)trans-115.2113.9171.9175.8177.967.600108.7F39 I59 I64 V67 Y90 L92F39-M83 HydrophobicContact CD1-CE 4.06Å; F39-M83 HydrophobicContact CD1-SD 3.97Å; F39-M83 HydrophobicContact CE1-CE 4.11Å; F39-M83 HydrophobicContact CE1-SD 4.06Å; I59-M83 HydrophobicContact CD1-CE 3.42Å; I59-M83 VanDerWaalsContact CD1-CE 3.42Å; I64-M83 HydrophobicContact CD1-CG 4.3Å; I64-M83 HydrophobicContact CD1-SD 3.43Å; I64-M83 WeakPolarHBondContact CD1-SD 3.33Å; I64-M83 HydrophobicContact CG1-CG 4.14Å; I64-M83 HydrophobicContact CG1-SD 3.81Å; I64-M83 HydrophobicContact CG2-CG 3.64Å; I64-M83 HydrophobicContact CG2-SD 4.2Å; V67-M83 HydrophobicContact CG2-CB 4.28Å; V67-M83 HydrophobicContact CG2-CG 4.01Å; M83-Y90 HydrophobicContact CE-CD2 3.91Å; M83-Y90 HydrophobicContact CE-CG 3.94Å; M83-Y90 PolarHBondContact N-O 2.84Å; M83-Y90 PolarHBondContact O-N 3.24Å; M83-L92 HydrophobicContact CB-CD1 3.89Å; M83-L92 HydrophobicContact CE-CD1 4.27Å
84N94.2Very high91.2Very high39 Ų3956.5 Ų56.521%0.20928%0.283CS..EExtended strand (participates in β ladder)trans-86.3118.8174.3-61.6-31.7000108.3I64 S65 K66 K89I64-N84 CarbonylContact C-O 3.58Å; I64-N84 WeakPolarHBondContact CA-O 3.1Å; S65-N84 PolarHBondContact N-O 3.04Å; S65-N84 PolarHBondContact OG-O 3.33Å; K66-N84 HydrophobicContact CB-CB 4.4Å; K66-N84 PolarHBondContact O-N 3.12Å; N84-K89 WeakPolarHBondContact OD1-CG 3.46Å
85A92.8Very high91.6Very high11 Ų1157.4 Ų57.49%0.09129%0.292CS..EExtended strand (participates in β ladder)trans-132.7113.9175.900000111.3I59 Y63 I64 M87 R88 Y90I59-A85 HydrophobicContact CG2-CB 3.88Å; Y63-A85 CarbonylContact O-C 3.47Å; Y63-A85 WeakPolarHBondContact O-CA 3.41Å; I64-A85 HydrophobicContact CG1-CB 4.1Å; A85-M87 PolarHBondContact O-N 3.12Å; A85-R88 PolarHBondContact N-O 3.21Å; A85-R88 PolarHBondContact O-N 2.87Å; A85-R88 VanDerWaalsContact O-N 3.08Å; A85-Y90 HydrophobicContact CB-CD2 4.24Å; A85-Y90 HydrophobicContact CB-CE2 4.01Å
86G87.8Confident92.3Very high64 Ų6455.2 Ų55.266%0.6627%0.274SS*.THydrogen-bonded Turntrans55.7-120.7-170.500000112Y63Y63-G86 PolarHBondContact O-N 2.84Å
87M87.7Confident92.9Very high196 Ų19649.5 Ų49.597%0.96625%0.251SS*.THydrogen-bonded Turntrans-93.23.1179.7-60.6178.868.400113.8A85A85-M87 PolarHBondContact O-N 3.12Å
88R90.7Very high93.4Very high118 Ų11854 Ų5445%0.44527%0.271SS..EExtended strand (participates in β ladder)trans-117148.1-174.7-66.6-179.169.8-167.8-0.7111.2E18 A85 Y90E18-R88 PolarHBondContact O-NH2 2.89Å; A85-R88 PolarHBondContact N-O 3.21Å; A85-R88 PolarHBondContact O-N 2.87Å; A85-R88 VanDerWaalsContact O-N 3.08Å; R88-Y90 HydrophobicContact CB-CE2 4Å; R88-Y90 PolarHBondContact NH1-OH 2.76Å
89K91.9Very high93.7Very high109 Ų10947.7 Ų47.747%0.47424%0.242SC..EExtended strand (participates in β ladder)trans-107.5130.2170-59.3-175-1791670108.8V82 N84 F91V82-K89 HydrophobicContact CG2-CB 4.07Å; N84-K89 WeakPolarHBondContact OD1-CG 3.46Å; K89-F91 HydrophobicContact CB-CE2 4.19Å
90Y93.8Very high93.8Very high26 Ų2645.2 Ų45.210%0.10223%0.231CC..EExtended strand (participates in β ladder)trans-106.9121.2172.3-63.1-88.3000107.8I16 I59 V82 M83 A85 R88I16-Y90 HydrophobicContact CD1-CD1 4.09Å; I59-Y90 HydrophobicContact CD1-CD1 4.12Å; I59-Y90 HydrophobicContact CD1-CD2 3.68Å; I59-Y90 HydrophobicContact CD1-CE1 3.86Å; I59-Y90 HydrophobicContact CD1-CE2 3.41Å; I59-Y90 VanDerWaalsContact CD1-CE2 3.41Å; I59-Y90 HydrophobicContact CD1-CG 4.02Å; I59-Y90 VanDerWaalsContact CD1-CZ 3.49Å; I59-Y90 HydrophobicContact CG1-CE2 4.29Å; V82-Y90 WeakPolarHBondContact CA-O 3.48Å; M83-Y90 HydrophobicContact CE-CD2 3.91Å; M83-Y90 HydrophobicContact CE-CG 3.94Å; M83-Y90 PolarHBondContact N-O 2.84Å; M83-Y90 PolarHBondContact O-N 3.24Å; A85-Y90 HydrophobicContact CB-CD2 4.24Å; A85-Y90 HydrophobicContact CB-CE2 4.01Å; R88-Y90 HydrophobicContact CB-CE2 4Å; R88-Y90 PolarHBondContact NH1-OH 2.76Å
91F94.6Very high93.9Very high19 Ų1948.5 Ų48.58%0.08325%0.251CS..EExtended strand (participates in β ladder)trans-93.2126.1171.5-66.6-86.6000108.1E17 F25 A70 R74 V82 K89E17-F91 HydrophobicContact CB-CB 4.22Å; E17-F91 PolarHBondContact N-O 3.23Å; F25-F91 HydrophobicContact CE1-CB 4.13Å; F25-F91 HydrophobicContact CZ-CB 4.2Å; A70-F91 HydrophobicContact CB-CD1 4.39Å; A70-F91 HydrophobicContact CB-CE1 4.41Å; R74-F91 HydrophobicContact CG-CD1 3.9Å; R74-F91 HydrophobicContact CG-CE1 3.95Å; V82-F91 HydrophobicContact CB-CD1 4.15Å; V82-F91 HydrophobicContact CB-CE1 4.09Å; V82-F91 HydrophobicContact CG2-CD1 4.2Å; V82-F91 HydrophobicContact CG2-CE1 3.97Å; V82-F91 HydrophobicContact CG2-CZ 4.24Å; K89-F91 HydrophobicContact CB-CE2 4.19Å
92L95.4Very high93.9Very high0 Ų051 Ų510%026%0.263CS..EExtended strand (participates in β ladder)trans-123.3144.9178.6-59.3101000109.1L14 D15 I16 F30 F39 C80 F81 M83L14-L92 HydrophobicContact CB-CD2 4.45Å; L14-L92 HydrophobicContact CD1-CD2 3.77Å; D15-L92 CarbonylContact O-C 3.59Å; D15-L92 VanDerWaalsContact O-CA 3.29Å; D15-L92 WeakPolarHBondContact O-CA 3.3Å; I16-L92 HydrophobicContact CB-CD2 4.46Å; I16-L92 HydrophobicContact CD1-CD2 4.3Å; I16-L92 HydrophobicContact CD1-CG 4.5Å; I16-L92 HydrophobicContact CG1-CG 4.36Å; F30-L92 HydrophobicContact CE1-CD2 3.84Å; F30-L92 HydrophobicContact CE2-CD2 4.22Å; F30-L92 HydrophobicContact CZ-CD2 3.65Å; F39-L92 HydrophobicContact CE1-CD2 4.47Å; C80-L92 CarbonylContact C-O 3.55Å; C80-L92 VanDerWaalsContact CA-O 3.28Å; C80-L92 WeakPolarHBondContact CA-O 3.44Å; C80-L92 PolarHBondContact SG-O 2.85Å; C80-L92 VanDerWaalsContact SG-O 3.35Å; F81-L92 HydrophobicContact CD1-CB 4.21Å; F81-L92 HydrophobicContact CD2-CB 4.32Å; F81-L92 HydrophobicContact CD2-CD1 4.29Å; F81-L92 HydrophobicContact CE1-CB 3.69Å; F81-L92 HydrophobicContact CE2-CB 3.83Å; F81-L92 HydrophobicContact CE2-CD1 3.78Å; F81-L92 HydrophobicContact CE2-CD2 4.5Å; F81-L92 HydrophobicContact CE2-CG 4.24Å; F81-L92 HydrophobicContact CZ-CB 3.49Å; F81-L92 VanDerWaalsContact CZ-CB 3.49Å; F81-L92 HydrophobicContact CZ-CD1 4.24Å; F81-L92 HydrophobicContact CZ-CD2 4.23Å; F81-L92 HydrophobicContact CZ-CG 4.19Å; F81-L92 PolarHBondContact N-O 2.86Å; F81-L92 PolarHBondContact O-N 2.89Å; F81-L92 VanDerWaalsContact O-O 3.14Å; M83-L92 HydrophobicContact CB-CD1 3.89Å; M83-L92 HydrophobicContact CE-CD1 4.27Å
93Q94.9Very high94Very high31 Ų3150.7 Ų50.715%0.14526%0.261CS..EExtended strand (participates in β ladder)trans-117.3127.7179.3-158.5-176.7-40.700109.1L14 D15 F25 E78L14-Q93 WeakPolarHBondContact CD2-O 3.18Å; D15-Q93 HydrophobicContact CB-CB 4.15Å; D15-Q93 PolarHBondContact N-O 3.03Å; D15-Q93 PolarHBondContact O-N 3.01Å; F25-Q93 HydrophobicContact CD1-CB 4.17Å; F25-Q93 HydrophobicContact CE1-CB 4.31Å; E78-Q93 WeakPolarHBondContact O-CG 3.49Å; E78-Q93 PolarHBondContact O-NE2 3.29Å
94A95.4Very high94Very high1 Ų151.7 Ų51.71%0.00827%0.267CS..  trans-90.5164.5173.100000110.7L14 F79 D99 L100L14-A94 HydrophobicContact CD2-CB 4.13Å; F79-A94 HydrophobicContact CB-CB 4.24Å; F79-A94 PolarHBondContact O-N 3.43Å; A94-D99 HydrophobicContact CB-CB 3.91Å; A94-L100 HydrophobicContact CB-CB 3.87Å; A94-L100 VanDerWaalsContact CB-N 3.33Å
95N92.5Very high94.1Very high71 Ų7154.8 Ų54.838%0.3828%0.283SS..SBendtrans-74.5-29-178.2-56.2-81.2000112.2R27 D99R27-N95 PolarHBondContact NH1-OD1 2.86Å; R27-N95 PolarHBondContact NH2-OD1 3.31Å; N95-D99 WeakPolarHBondContact CB-OD2 3.48Å; N95-D99 PolarHBondContact N-OD2 2.7Å; N95-D99 PolarHBondContact ND2-OD2 3.13Å
96D94.6Very high94.3Very high62 Ų6255.7 Ų55.733%0.33229%0.288SS..SBendtrans-155.7177.3-17961.458.3000111.2F79 Q98 D99 L100F79-D96 VanDerWaalsContact CG-C 3.47Å; D96-Q98 VanDerWaalsContact C-N 3.34Å; D96-Q98 PolarHBondContact O-N 3.41Å; D96-Q98 WeakPolarHBondContact OD1-CA 3.36Å; D96-Q98 WeakPolarHBondContact OD1-CB 3.31Å; D96-Q98 PolarHBondContact OD1-N 2.98Å; D96-D99 PolarHBondContact O-N 3.36Å; D96-D99 WeakPolarHBondContact OD1-CB 3.26Å; D96-D99 PolarHBondContact OD1-N 3.45Å; D96-L100 PolarHBondContact O-N 2.88Å
97Q94.6Very high94.6Very high91 Ų9152.7 Ų52.743%0.42526%0.257SS..Hα-helixtrans-63.1-37.4-178.4-17560.355.200113.1F79 L100 V101F79-Q97 HydrophobicContact CD1-CB 3.92Å; F79-Q97 VanDerWaalsContact CD1-N 3.31Å; F79-Q97 HydrophobicContact CE1-CB 3.8Å; Q97-L100 PolarHBondContact O-N 2.73Å; Q97-V101 WeakPolarHBondContact O-CG2 3.29Å; Q97-V101 PolarHBondContact O-N 2.96Å; Q97-V101 VanDerWaalsContact O-N 3.12Å
98Q96.1Very high95Very high100 Ų10045.2 Ų45.247%0.46722%0.221SC..Hα-helixtrans-69.3-44.1-179.8-179.264.931.400110M1 D96 L100 V101 E102M1-Q98 HydrophobicContact CE-CG 3.65Å; M1-Q98 HydrophobicContact SD-CG 4.11Å; D96-Q98 VanDerWaalsContact C-N 3.34Å; D96-Q98 PolarHBondContact O-N 3.41Å; D96-Q98 WeakPolarHBondContact OD1-CA 3.36Å; D96-Q98 WeakPolarHBondContact OD1-CB 3.31Å; D96-Q98 PolarHBondContact OD1-N 2.98Å; Q98-L100 VanDerWaalsContact C-N 3.33Å; Q98-L100 PolarHBondContact O-N 3.3Å; Q98-V101 PolarHBondContact O-N 2.85Å; Q98-E102 PolarHBondContact NE2-OE1 2.91Å; Q98-E102 WeakPolarHBondContact O-CG 3.32Å; Q98-E102 PolarHBondContact O-N 3.2Å
99D95.8Very high95.1Very high0 Ų046.1 Ų46.10%023%0.228CC..Hα-helixtrans-57.8-42.9175.1-167.528.7000111.5M1 P2 A94 N95 D96 W103M1-D99 WeakPolarHBondContact CA-OD1 3.44Å; M1-D99 HydrophobicContact CG-CB 4.14Å; M1-D99 PolarHBondContact N-OD1 2.98Å; M1-D99 PolarHBondContact N-OD2 3.14Å; P2-D99 VanDerWaalsContact CD-OD1 3.24Å; P2-D99 WeakPolarHBondContact CD-OD1 3.28Å; A94-D99 HydrophobicContact CB-CB 3.91Å; N95-D99 WeakPolarHBondContact CB-OD2 3.48Å; N95-D99 PolarHBondContact N-OD2 2.7Å; N95-D99 PolarHBondContact ND2-OD2 3.13Å; D96-D99 PolarHBondContact O-N 3.36Å; D96-D99 WeakPolarHBondContact OD1-CB 3.26Å; D96-D99 PolarHBondContact OD1-N 3.45Å; D99-W103 WeakPolarHBondContact O-CB 3Å; D99-W103 VanDerWaalsContact O-CD1 3.24Å; D99-W103 PolarHBondContact O-N 3.34Å; D99-W103 PolarHBondContact OD1-NE1 3.46Å
100L95.7Very high95.1Very high4 Ų441 Ų412%0.02121%0.206CC..Hα-helixtrans-59.2-50.6173.2173.7147.6000111.4F79 F81 A94 D96 Q97 Q98 E102 W103 V104F79-L100 HydrophobicContact CB-CB 4.26Å; F79-L100 HydrophobicContact CB-CD1 4.26Å; F79-L100 WeakPolarHBondContact O-CD1 2.8Å; F81-L100 HydrophobicContact CB-CD1 4.28Å; F81-L100 HydrophobicContact CB-CG 4.5Å; F81-L100 HydrophobicContact CD1-CG 4.44Å; A94-L100 HydrophobicContact CB-CB 3.87Å; A94-L100 VanDerWaalsContact CB-N 3.33Å; D96-L100 PolarHBondContact O-N 2.88Å; Q97-L100 PolarHBondContact O-N 2.73Å; Q98-L100 VanDerWaalsContact C-N 3.33Å; Q98-L100 PolarHBondContact O-N 3.3Å; L100-E102 VanDerWaalsContact C-N 3.31Å; L100-E102 PolarHBondContact O-N 2.72Å; L100-W103 PolarHBondContact O-N 2.99Å; L100-V104 HydrophobicContact CD2-CG2 4.32Å; L100-V104 HydrophobicContact CG-CG2 4.29Å; L100-V104 WeakPolarHBondContact O-CB 3.5Å; L100-V104 VanDerWaalsContact O-CG2 3.25Å; L100-V104 WeakPolarHBondContact O-CG2 3.44Å; L100-V104 PolarHBondContact O-N 3.24Å
101V96.3Very high94.9Very high70 Ų7040.8 Ų40.842%0.42421%0.206SC..Hα-helixtrans-62.4-43.2-175.6170.60000110.3Q97 Q98 N105Q97-V101 WeakPolarHBondContact O-CG2 3.29Å; Q97-V101 PolarHBondContact O-N 2.96Å; Q97-V101 VanDerWaalsContact O-N 3.12Å; Q98-V101 PolarHBondContact O-N 2.85Å; V101-N105 VanDerWaalsContact O-CB 3.23Å; V101-N105 WeakPolarHBondContact O-CB 3.5Å; V101-N105 PolarHBondContact O-N 2.68Å
102E96.9Very high94.4Very high52 Ų5247.5 Ų47.524%0.24324%0.236CC..Hα-helixtrans-65.5-47.7178.1-73.2-175.7-173.500112.2M1 P2 Q98 L100 V104 N105 V106M1-E102 VanDerWaalsContact CE-CD 3.4Å; M1-E102 WeakPolarHBondContact CE-OE1 3.35Å; M1-E102 VanDerWaalsContact CE-OE2 3.28Å; M1-E102 WeakPolarHBondContact CE-OE2 3.36Å; P2-E102 WeakPolarHBondContact CD-OE2 3.22Å; P2-E102 HydrophobicContact CG-CB 3.61Å; Q98-E102 PolarHBondContact NE2-OE1 2.91Å; Q98-E102 WeakPolarHBondContact O-CG 3.32Å; Q98-E102 PolarHBondContact O-N 3.2Å; L100-E102 VanDerWaalsContact C-N 3.31Å; L100-E102 PolarHBondContact O-N 2.72Å; E102-V104 PolarHBondContact O-N 2.82Å; E102-N105 PolarHBondContact O-N 3.13Å; E102-V106 WeakPolarHBondContact O-CG1 3.33Å; E102-V106 WeakPolarHBondContact O-CG2 3.31Å; E102-V106 PolarHBondContact O-N 3.13Å
103W97.1Very high93.1Very high0 Ų052.8 Ų52.80%026%0.262CS..Hα-helixtrans-60.1-45.4177.3-88.9111.8000112.7P2 L14 F30 F39 F81 D99 L100 N105 V106 L107P2-W103 HydrophobicContact CB-CD2 3.98Å; P2-W103 HydrophobicContact CB-CE3 4.41Å; P2-W103 HydrophobicContact CB-CG 4.45Å; P2-W103 HydrophobicContact CB-CH2 4.33Å; P2-W103 HydrophobicContact CB-CZ2 3.9Å; P2-W103 HydrophobicContact CG-CD2 4.18Å; P2-W103 HydrophobicContact CG-CG 4.16Å; L14-W103 HydrophobicContact CD1-CD2 3.69Å; L14-W103 HydrophobicContact CD1-CE3 4.06Å; L14-W103 HydrophobicContact CD1-CG 4.07Å; L14-W103 HydrophobicContact CD1-CH2 4.36Å; L14-W103 HydrophobicContact CD1-CZ2 4Å; L14-W103 HydrophobicContact CD1-CZ3 4.4Å; L14-W103 VanDerWaalsContact CD2-CD1 3.45Å; L14-W103 HydrophobicContact CD2-CD2 4.29Å; L14-W103 HydrophobicContact CD2-CG 3.94Å; L14-W103 HydrophobicContact CG-CD2 4.17Å; L14-W103 HydrophobicContact CG-CG 4.35Å; L14-W103 HydrophobicContact CG-CZ2 4.09Å; F30-W103 HydrophobicContact CB-CH2 3.79Å; F30-W103 HydrophobicContact CB-CZ2 4.33Å; F39-W103 HydrophobicContact CE2-CH2 4.31Å; F39-W103 AromaticContact CE2-CZ3 3.75Å; F39-W103 HydrophobicContact CE2-CZ3 3.75Å; F39-W103 HydrophobicContact CZ-CZ3 4.06Å; F81-W103 HydrophobicContact CE1-CB 4.08Å; F81-W103 HydrophobicContact CZ-CB 3.97Å; D99-W103 WeakPolarHBondContact O-CB 3Å; D99-W103 VanDerWaalsContact O-CD1 3.24Å; D99-W103 PolarHBondContact O-N 3.34Å; D99-W103 PolarHBondContact OD1-NE1 3.46Å; L100-W103 PolarHBondContact O-N 2.99Å; W103-N105 VanDerWaalsContact C-N 3.31Å; W103-N105 PolarHBondContact O-N 2.74Å; W103-V106 HydrophobicContact CE3-CG2 3.97Å; W103-V106 WeakPolarHBondContact O-CG2 3.33Å; W103-L107 HydrophobicContact CE3-CD1 4.31Å; W103-L107 HydrophobicContact CE3-CG 4.38Å; W103-L107 WeakPolarHBondContact O-CB 3.18Å; W103-L107 WeakPolarHBondContact O-CD1 3.37Å; W103-L107 WeakPolarHBondContact O-CG 3.29Å; W103-L107 PolarHBondContact O-N 2.87Å
104V96.4Very high91.6Very high22 Ų2252.8 Ų52.813%0.13327%0.265CS..Hα-helixtrans-62.5-40.2176.8171.50000110.7V67 F81 L100 E102 N108V67-V104 HydrophobicContact CG1-CG1 4.48Å; V67-V104 HydrophobicContact CG1-CG2 4.32Å; F81-V104 HydrophobicContact CB-CG2 3.67Å; F81-V104 HydrophobicContact CD1-CG2 4.34Å; F81-V104 HydrophobicContact CD2-CG2 4.02Å; F81-V104 HydrophobicContact CG-CG2 3.77Å; L100-V104 HydrophobicContact CD2-CG2 4.32Å; L100-V104 HydrophobicContact CG-CG2 4.29Å; L100-V104 WeakPolarHBondContact O-CB 3.5Å; L100-V104 VanDerWaalsContact O-CG2 3.25Å; L100-V104 WeakPolarHBondContact O-CG2 3.44Å; L100-V104 PolarHBondContact O-N 3.24Å; E102-V104 PolarHBondContact O-N 2.82Å; V104-N108 WeakPolarHBondContact CG1-ND2 3.17Å; V104-N108 VanDerWaalsContact O-CB 3.24Å; V104-N108 WeakPolarHBondContact O-CB 3.3Å; V104-N108 PolarHBondContact O-N 2.85Å; V104-N108 PolarHBondContact O-ND2 3.35Å
105N95.8Very high89.5Confident103 Ų10357.6 Ų57.655%0.55129%0.294SS*.Hα-helixtrans-67.2-51.3179-173.21000112V101 E102 W103 L107 N108 K109V101-N105 VanDerWaalsContact O-CB 3.23Å; V101-N105 WeakPolarHBondContact O-CB 3.5Å; V101-N105 PolarHBondContact O-N 2.68Å; E102-N105 PolarHBondContact O-N 3.13Å; W103-N105 VanDerWaalsContact C-N 3.31Å; W103-N105 PolarHBondContact O-N 2.74Å; N105-L107 VanDerWaalsContact C-N 3.34Å; N105-L107 PolarHBondContact O-N 2.91Å; N105-N108 PolarHBondContact O-N 3Å; N105-K109 WeakPolarHBondContact O-CB 3.23Å; N105-K109 PolarHBondContact O-N 2.73Å
106V95.8Very high87.4Confident31 Ų3159.3 Ų59.319%0.18831%0.309CS..Hα-helixtrans-63.3-39.5-178-61.70000112I10 L32 E102 W103 K109 A110I10-V106 HydrophobicContact CD1-CB 3.72Å; I10-V106 HydrophobicContact CD1-CG1 3.83Å; I10-V106 HydrophobicContact CD1-CG2 4.43Å; I10-V106 HydrophobicContact CG2-CB 4.42Å; I10-V106 HydrophobicContact CG2-CG1 4.5Å; I10-V106 HydrophobicContact CG2-CG2 4.08Å; L32-V106 HydrophobicContact CD2-CB 4.4Å; L32-V106 HydrophobicContact CD2-CG2 4.19Å; E102-V106 WeakPolarHBondContact O-CG1 3.33Å; E102-V106 WeakPolarHBondContact O-CG2 3.31Å; E102-V106 PolarHBondContact O-N 3.13Å; W103-V106 HydrophobicContact CE3-CG2 3.97Å; W103-V106 WeakPolarHBondContact O-CG2 3.33Å; V106-K109 PolarHBondContact O-N 3.13Å; V106-A110 VanDerWaalsContact O-CB 3.3Å; V106-A110 WeakPolarHBondContact O-CB 3.45Å; V106-A110 PolarHBondContact O-N 2.84Å
107L95.7Very high84.9Confident0 Ų066.1 Ų66.10%034%0.336CS..Hα-helixtrans-66.6-46.3175.4-74.2167.3000111.3L32 F39 V67 F81 W103 N105 K109 A110 I111L32-L107 HydrophobicContact CD1-CD2 4.19Å; L32-L107 HydrophobicContact CD2-CD2 3.99Å; L32-L107 HydrophobicContact CD2-CG 4.48Å; F39-L107 HydrophobicContact CD1-CD2 4.31Å; F39-L107 HydrophobicContact CD2-CD2 4.1Å; F39-L107 HydrophobicContact CE1-CD2 4.14Å; F39-L107 HydrophobicContact CE2-CD2 3.93Å; F39-L107 HydrophobicContact CG-CD2 4.28Å; F39-L107 HydrophobicContact CZ-CD1 4.31Å; F39-L107 HydrophobicContact CZ-CD2 3.93Å; V67-L107 HydrophobicContact CB-CB 4.44Å; V67-L107 HydrophobicContact CG1-CB 4.28Å; V67-L107 HydrophobicContact CG1-CD1 4.16Å; V67-L107 HydrophobicContact CG2-CB 4.05Å; F81-L107 HydrophobicContact CE2-CD1 3.8Å; F81-L107 HydrophobicContact CZ-CD1 4.3Å; W103-L107 HydrophobicContact CE3-CD1 4.31Å; W103-L107 HydrophobicContact CE3-CG 4.38Å; W103-L107 WeakPolarHBondContact O-CB 3.18Å; W103-L107 WeakPolarHBondContact O-CD1 3.37Å; W103-L107 WeakPolarHBondContact O-CG 3.29Å; W103-L107 PolarHBondContact O-N 2.87Å; N105-L107 VanDerWaalsContact C-N 3.34Å; N105-L107 PolarHBondContact O-N 2.91Å; L107-K109 VanDerWaalsContact C-N 3.27Å; L107-K109 PolarHBondContact O-N 3.25Å; L107-A110 WeakPolarHBondContact O-CB 3.39Å; L107-A110 PolarHBondContact O-N 2.99Å; L107-A110 VanDerWaalsContact O-N 3.17Å; L107-I111 WeakPolarHBondContact O-CG2 3.13Å; L107-I111 PolarHBondContact O-N 3.38Å
108N94.8Very high82.6Confident40 Ų4070.6 Ų70.621%0.21436%0.356CS..Hα-helixtrans-62.8-33.7176.9-83.6-52.9000112.7V67 V104 N105 I111 K112V67-N108 PolarHBondContact O-ND2 3.42Å; V67-N108 PolarHBondContact O-OD1 2.93Å; V104-N108 WeakPolarHBondContact CG1-ND2 3.17Å; V104-N108 VanDerWaalsContact O-CB 3.24Å; V104-N108 WeakPolarHBondContact O-CB 3.3Å; V104-N108 PolarHBondContact O-N 2.85Å; V104-N108 PolarHBondContact O-ND2 3.35Å; N105-N108 PolarHBondContact O-N 3Å; N108-I111 WeakPolarHBondContact O-CG1 3.25Å; N108-K112 WeakPolarHBondContact O-CD 3.48Å; N108-K112 VanDerWaalsContact O-CG 3.22Å; N108-K112 WeakPolarHBondContact O-CG 3.11Å; N108-K112 PolarHBondContact O-N 3.22Å
109K93.2Very high79.9Confident137 Ų13770.6 Ų70.660%0.59637%0.367SS*.Hα-helixtrans-68.4-44.2173.5-174177.3179.3-178.70111N105 V106 L107 K112 I113N105-K109 WeakPolarHBondContact O-CB 3.23Å; N105-K109 PolarHBondContact O-N 2.73Å; V106-K109 PolarHBondContact O-N 3.13Å; L107-K109 VanDerWaalsContact C-N 3.27Å; L107-K109 PolarHBondContact O-N 3.25Å; K109-K112 PolarHBondContact O-N 3.4Å; K109-I113 HydrophobicContact CG-CD1 4.09Å; K109-I113 WeakPolarHBondContact O-CG1 3.3Å; K109-I113 PolarHBondContact O-N 3.25Å
110A91.4Very high77.5Confident2 Ų279 Ų792%0.01741%0.412CS..Hα-helixtrans-60.8-47.9179.200000112.2L32 T34 L61 V106 L107 K112 I113 T114L32-A110 HydrophobicContact CD1-CB 4.03Å; L32-A110 HydrophobicContact CD2-CB 4Å; L32-A110 HydrophobicContact CG-CB 4.41Å; T34-A110 HydrophobicContact CG2-CB 3.71Å; L61-A110 HydrophobicContact CD1-CB 4.14Å; V106-A110 VanDerWaalsContact O-CB 3.3Å; V106-A110 WeakPolarHBondContact O-CB 3.45Å; V106-A110 PolarHBondContact O-N 2.84Å; L107-A110 WeakPolarHBondContact O-CB 3.39Å; L107-A110 PolarHBondContact O-N 2.99Å; L107-A110 VanDerWaalsContact O-N 3.17Å; A110-K112 VanDerWaalsContact C-N 3.28Å; A110-K112 PolarHBondContact O-N 2.87Å; A110-I113 PolarHBondContact O-N 3.22Å; A110-T114 PolarHBondContact O-N 3.25Å; A110-T114 PolarHBondContact O-OG1 3.38Å
111I90.6Very high74.7Confident20 Ų2083.8 Ų83.810%0.10345%0.446CS..Hα-helixtrans-67.7-25.5-179.867.6179.8000113.5L61 I64 L107 N108 T114L61-I111 HydrophobicContact CB-CG2 4.48Å; I64-I111 HydrophobicContact CB-CG2 3.78Å; I64-I111 HydrophobicContact CD1-CG2 4.39Å; I64-I111 HydrophobicContact CG2-CG2 3.83Å; L107-I111 WeakPolarHBondContact O-CG2 3.13Å; L107-I111 PolarHBondContact O-N 3.38Å; N108-I111 WeakPolarHBondContact O-CG1 3.25Å; I111-T114 WeakPolarHBondContact CA-OG1 3.38Å; I111-T114 PolarHBondContact O-OG1 2.77Å
112K84.3Confident71.8Confident161 Ų16189.4 Ų89.470%0.747%0.468SS*.Hα-helixtrans-74.2-34.7175.8-77.2174.2-176.7-178.50112.2N108 K109 A110 T114N108-K112 WeakPolarHBondContact O-CD 3.48Å; N108-K112 VanDerWaalsContact O-CG 3.22Å; N108-K112 WeakPolarHBondContact O-CG 3.11Å; N108-K112 PolarHBondContact O-N 3.22Å; K109-K112 PolarHBondContact O-N 3.4Å; A110-K112 VanDerWaalsContact C-N 3.28Å; A110-K112 PolarHBondContact O-N 2.87Å; K112-T114 VanDerWaalsContact C-N 3.28Å
113I66.6Low69.2Low110 Ų11092.5 Ų92.556%0.56449%0.492SS*.Hα-helixtrans-70.8-28.5179.3-66.7166000110.6K109 A110 V115K109-I113 HydrophobicContact CG-CD1 4.09Å; K109-I113 WeakPolarHBondContact O-CG1 3.3Å; K109-I113 PolarHBondContact O-N 3.25Å; A110-I113 PolarHBondContact O-N 3.22Å; I113-V115 VanDerWaalsContact C-N 3.32Å; I113-V115 PolarHBondContact O-N 2.75Å
114T63.6Low66Low31 Ų31100.5 Ų100.519%0.1954%0.535CS..THydrogen-bonded Turntrans-82.11-17750.50000115.2L61 A110 I111 K112 P116L61-T114 HydrophobicContact CB-CG2 4.14Å; L61-T114 HydrophobicContact CD1-CG2 4.14Å; A110-T114 PolarHBondContact O-N 3.25Å; A110-T114 PolarHBondContact O-OG1 3.38Å; I111-T114 WeakPolarHBondContact CA-OG1 3.38Å; I111-T114 PolarHBondContact O-OG1 2.77Å; K112-T114 VanDerWaalsContact C-N 3.28Å; T114-P116 VanDerWaalsContact O-CD 3.29Å; T114-P116 WeakPolarHBondContact O-CD 3.17Å
115V51.4Low63.2Low103 Ų103103.7 Ų103.762%0.62456%0.558SS**SBendtrans-84.4110.3169-176.80000107.8I113 K117I113-V115 VanDerWaalsContact C-N 3.32Å; I113-V115 PolarHBondContact O-N 2.75Å; V115-K117 PolarHBondContact O-N 3.05Å; V115-K117 VanDerWaalsContact O-N 3.11Å
116P48.9Very low60.2Low107 Ų107105.1 Ų105.170%0.69557%0.566SS**  trans-60121.8173.8-15.429.6000107.8T114 Q118T114-P116 VanDerWaalsContact O-CD 3.29Å; T114-P116 WeakPolarHBondContact O-CD 3.17Å; P116-Q118 VanDerWaalsContact C-N 3.34Å; P116-Q118 PolarHBondContact O-N 2.9Å
117K42.7Very low57.1Low205 Ų205110.5 Ų110.589%0.89159%0.593SS**  trans-60.7103.6160.7-80.9-178.9174-178.40106.2V115 S119V115-K117 PolarHBondContact O-N 3.05Å; V115-K117 VanDerWaalsContact O-N 3.11Å; K117-S119 PolarHBondContact O-N 2.78Å; K117-S119 VanDerWaalsContact O-N 3.09Å
118Q46.6Very low54.1Low185 Ų185117.8 Ų117.886%0.86463%0.632SS**  trans-60.2113.8161.9-72.9-171.2-34.100106.2P116 D120P116-Q118 VanDerWaalsContact C-N 3.34Å; P116-Q118 PolarHBondContact O-N 2.9Å; Q118-D120 PolarHBondContact O-N 3.48Å
119S37.7Very low51Low100 Ų100120.1 Ų120.170%0.69965%0.651SS**  trans-63.1122.1170.546.20000108.6K117 S121K117-S119 PolarHBondContact O-N 2.78Å; K117-S119 VanDerWaalsContact O-N 3.09Å; S119-S121 PolarHBondContact O-N 2.84Å
120D45.9Very low48Very low176 Ų176125.1 Ų125.194%0.94167%0.666SS**  trans-58.1114.6161.5-84.8-45.1000108.8Q118Q118-D120 PolarHBondContact O-N 3.48Å
121S36.9Very low45.2Very low104 Ų104133.7 Ų133.773%0.72771%0.706SS**  trans-144.5106161.738.80000108.7S119S119-S121 PolarHBondContact O-N 2.84Å
122Q34.6Very low42.3Very low189 Ų189136.1 Ų136.188%0.88374%0.736SS**  trans-56.6156.9169.1-97.8176.3-84.300112
123P42.1Very low39.8Very low116 Ų116136.6 Ų136.675%0.75374%0.741SS**  trans-80.8139.9-178.534.4-31.1000109.9
124N31Very low38Very low169 Ų169137.4 Ų137.490%0.90476%0.755SS**  trans-147.6141.4154.6-128.70.7000111.2
125S37Very low36.4Very low88 Ų88139.1 Ų139.162%0.61578%0.779SS**  trans-81.8161.5-166.765.10000113.6
126D32.6Very low35.6Very low134 Ų134144.2 Ų144.272%0.71779%0.792SS**  trans91.8112.2144.3-62.6-39.1000121.8
127N31.3Very low35Very low143 Ų143149.2 Ų149.277%0.76580%0.803SS**  103110.7128.3-83.2-47.9000121.7
128L32.5Very low34.9Very low153 Ų153148.4 Ų148.480%0.80180%0.803SS**  92.4106.3126-147.467.7000121
129S29.9Very low35.2Very low90 Ų90144 Ų14463%0.62979%0.788SS**  trans82.7123.4135.865.60000122.7
130R30.2Very low35.7Very low241 Ų241143.1 Ų143.191%0.90978%0.782SS**  trans76.7115.4133.6-73.5-178175.2-160.4-1.5120.3
131H33.1Very low36Very low182 Ų182142 Ų14284%0.84377%0.766SS**  trans88.2115.8133.7-133.70.6000119.5
132G29.7Very low37Very low72 Ų72146 Ų14674%0.74277%0.765SS**  trans172.5101.6160.600000109.9
133E30.5Very low37.6Very low170 Ų170140.6 Ų140.679%0.79475%0.745SS**  trans-56.6164.6169.8-65.7173.382.400110.9
134C28.8Very low38.3Very low128 Ų128140.5 Ų140.587%0.86574%0.738SS**  169.2151.255.3-170.30000104.7
135G30.4Very low39.5Very low67 Ų67138.3 Ų138.369%0.69173%0.725SS**  cis-174138.9-0.500000107.5
136K34.4Very low40.3Very low209 Ų209140.3 Ų140.391%0.90973%0.733SS**PPolyproline II helixtrans-97.8129.1159.1-70.6-178.9-178.8176.60106.4Q138K136-Q138 PolarHBondContact O-N 2.84Å
137K38.2Very low41.4Very low212 Ų212138 Ų13892%0.92274%0.742SS**PPolyproline II helixtrans-57.4116.4-173-62.4176.7-180-178.80110.9
138Q40.4Very low42.3Very low188 Ų188134.3 Ų134.388%0.87974%0.737SS**PPolyproline II helixtrans-91.8123.1170.3-176.1175.1-10.500108.2K136K136-Q138 PolarHBondContact O-N 2.84Å
139V51.7Low42.8Very low92 Ų92131.8 Ų131.856%0.55873%0.727SS**PPolyproline II helixtrans-87.7125.3173.5178.30000108Y141V139-Y141 HydrophobicContact CB-CE2 4.44Å; V139-Y141 HydrophobicContact CG1-CE1 4.39Å; V139-Y141 HydrophobicContact CG1-CE2 4.31Å
140S48.3Very low43.2Very low82 Ų82131.4 Ų131.457%0.57372%0.723SS**PPolyproline II helixtrans-88131.6176.657.10000111.2
141Y52.5Low44.3Very low153 Ų153125.8 Ų125.860%0.671%0.71SS**EExtended strand (participates in β ladder)trans-109.5138.3172.4-57-87.3000109.3V139 I152 P154V139-Y141 HydrophobicContact CB-CE2 4.44Å; V139-Y141 HydrophobicContact CG1-CE1 4.39Å; V139-Y141 HydrophobicContact CG1-CE2 4.31Å; Y141-I152 HydrophobicContact CD1-CG2 4.07Å; Y141-I152 HydrophobicContact CG-CG2 4.14Å; Y141-P154 HydrophobicContact CD1-CB 4.17Å; Y141-P154 HydrophobicContact CE1-CB 4.24Å
142R58.4Low45Very low189 Ų189122.1 Ų122.171%0.71370%0.695SS**EExtended strand (participates in β ladder)trans-108.1136.4171.7-119.2-177-177.41760.1109.3T153R142-T153 PolarHBondContact O-N 3.41Å
143T46.3Very low45.9Very low75 Ų75123.1 Ų123.146%0.4669%0.687SS.*EExtended strand (participates in β ladder)trans-111.3123179.1-500000108.5P150 I152T143-P150 HydrophobicContact CG2-CB 3.71Å; T143-I152 HydrophobicContact CG2-CG1 4.09Å
144D57.3Low46.4Very low114 Ų114119 Ų11961%0.6168%0.675SS**EExtended strand (participates in β ladder)trans-114.8147.5171.4-71.1-47.5000109.7I151D144-I151 PolarHBondContact N-O 2.9Å; D144-I151 PolarHBondContact O-N 3.45Å; D144-I151 VanDerWaalsContact O-N 3.15Å
145I56.3Low46.9Very low123 Ų123117.5 Ų117.563%0.63166%0.662SS**EExtended strand (participates in β ladder)trans-114115.6177.8-57.3176.6000108.1P150I145-P150 HydrophobicContact CG1-CB 4.27Å
146V54.6Low47.3Very low129 Ų129124 Ų12478%0.78267%0.674SS**EExtended strand (participates in β ladder)trans-122.9117.8173-176.40000107.9G148V146-G148 VanDerWaalsContact C-N 3.33Å; V146-G148 PolarHBondContact O-N 3.09Å
147G55.3Low47.4Very low87 Ų87124 Ų12490%0.89767%0.674SS**THydrogen-bonded Turntrans71.716.217800000116.2
148G49.9Very low47.2Very low64 Ų64123.3 Ų123.366%0.6667%0.674SS**THydrogen-bonded Turntrans99.68.2172.700000116.7V146V146-G148 VanDerWaalsContact C-N 3.33Å; V146-G148 PolarHBondContact O-N 3.09Å
149V43Very low46.8Very low100 Ų100123.2 Ų123.261%0.60667%0.674SS**EExtended strand (participates in β ladder)trans-128.4133.9175.1-1760000110.3
150P38.4Very low45.8Very low82 Ų82124.1 Ų124.153%0.53268%0.679SS.*EExtended strand (participates in β ladder)trans-82.4132.8179.129.6-31.4000112.8T143 I145T143-P150 HydrophobicContact CG2-CB 3.71Å; I145-P150 HydrophobicContact CG1-CB 4.27Å
151I52Low44.8Very low124 Ų124127.2 Ų127.264%0.63669%0.69SS**EExtended strand (participates in β ladder)trans-119.7138.4170.8-59.3-178.8000109.5D144D144-I151 PolarHBondContact N-O 2.9Å; D144-I151 PolarHBondContact O-N 3.45Å; D144-I151 VanDerWaalsContact O-N 3.15Å
152I48.5Very low44Very low104 Ų104128 Ų12853%0.53370%0.699SS.*EExtended strand (participates in β ladder)trans-115.2122.6-175.6-54.5-179.8000110.1Y141 T143Y141-I152 HydrophobicContact CD1-CG2 4.07Å; Y141-I152 HydrophobicContact CG-CG2 4.14Å; T143-I152 HydrophobicContact CG2-CG1 4.09Å
153T49.2Very low42.7Very low93 Ų93124.6 Ų124.657%0.57170%0.702SS**EExtended strand (participates in β ladder)trans-129.6136.2175.9-550000111.4R142R142-T153 PolarHBondContact O-N 3.41Å
154P39.7Very low41.9Very low84 Ų84124.5 Ų124.555%0.54572%0.716SS.*EExtended strand (participates in β ladder)trans-80.4142.8178.330.5-32.9000112.9Y141Y141-P154 HydrophobicContact CD1-CB 4.17Å; Y141-P154 HydrophobicContact CE1-CB 4.24Å
155T40.3Very low40.6Very low97 Ų97126.1 Ų126.160%0.59572%0.72SS**  trans-103130.3-176.7-2.10000111.6
156Q38.3Very low39.3Very low203 Ų203130.1 Ų130.195%0.94973%0.727SS**  trans-129141.5163.6-74.8-170.759.700110.8
157K36.6Very low38.4Very low210 Ų210131.4 Ų131.491%0.91373%0.728SS**  trans-93.1133.9-174.4-68175.8172.3-175.50110.5
158E33.6Very low37.3Very low196 Ų196134 Ų13492%0.91672%0.721SS**  trans-143.4128.5161.1-101.4178.4173.400109.1
159E31.8Very low36.7Very low187 Ų187141.1 Ų141.187%0.87473%0.728SS**  trans-146138166.6-84.8-169.7-167.300103.9
160V31.5Very low36.2Very low110 Ų110143.4 Ų143.467%0.66774%0.737SS**  cis-170.214122.5129.80000107.4
161N26.4Very low35.8Very low148 Ų148146.3 Ų146.379%0.79175%0.748SS**  177135.6108.8-121-19.9000115.4
162E36Very low35Very low170 Ų170147.8 Ų147.879%0.79476%0.756SS**  trans-56.1174.5-179.6-84175.180.100118.6
163C31.5Very low34.6Very low116 Ų116152 Ų15278%0.78477%0.771SS**  cis-166.7170-1868.10000108
164G29.1Very low33.8Very low73 Ų73158.7 Ų158.775%0.75379%0.786SS**  trans169.466168.100000117.7
165E30.6Very low33.7Very low148 Ų148160.1 Ų160.169%0.69280%0.798SS**  trans36.3125.1149.7-66.8-158126.200125.9
166R29.7Very low33.3Very low207 Ų207163.3 Ų163.378%0.78181%0.806SS**  65.2123.3129.3-57.4179.7-167.2-154.37.1122.2
167I34.7Very low33.5Very low157 Ų157157.7 Ų157.781%0.80579%0.789SS**  168.1149.5101.2-77-172.4000110.1
168D32.3Very low33.4Very low140 Ų140155.9 Ų155.975%0.74978%0.783SS**  trans-50.8136.7-165.7-61-79.1000121.9
169R37.5Very low33.7Very low215 Ų215154.5 Ų154.581%0.81178%0.782SS**  22.1111.3118-155179-175.1171.81.4117.8
170N31.7Very low34.5Very low148 Ų148149.6 Ų149.679%0.79177%0.766SS**  -174.8150.3116.8-99.2-21000115.7
171N31.7Very low34.7Very low143 Ų143155.4 Ų155.477%0.76578%0.777SS**  trans-68.4155.9-178.1-67.5-84.8000114.1
172L34.4Very low35.5Very low154 Ų154157.8 Ų157.881%0.80678%0.781SS**  143126.3112.3-16662.4000113.3
173K40.6Very low35.7Very low192 Ų192155.2 Ų155.284%0.83578%0.777SS**  trans-3.1129.2155.3-78.2157.8161.5170.60117.3
174R31.4Very low36.2Very low234 Ų234155.7 Ų155.788%0.88378%0.779SS**  trans-160.5124137.1-169168-105.4-166.6-6.2111.8
175S37.8Very low36.5Very low114 Ų114160.4 Ų160.480%0.79778%0.779SS**  trans-69137.5167.9-44.40000110.8
176Q31.9Very low37Very low164 Ų164158.2 Ų158.277%0.76678%0.777SS**  trans-163.3127.4142.7-143.2159-3.400111.8
177S43Very low37.7Very low86 Ų86154.2 Ų154.260%0.60178%0.778SS**  trans-40.7151.216351.20000114.2
178H34.2Very low38.1Very low171 Ų171154.5 Ų154.579%0.79278%0.776SS**  -176129.8125.6-66.3-49000109.6
179L39.2Very low39.1Very low167 Ų167155.3 Ų155.387%0.87478%0.78SS**  trans-107.2173.3167.9-143.395000107.4
180P50.5Low40.4Very low84 Ų84147.7 Ų147.755%0.54576%0.76SS.*  cis-119.5158.6-32.128.5-10.7000111.9
181Y34Very low43Very low232 Ų232143.6 Ų143.691%0.9175%0.747SS**  trans-112.8114.8151.1-89.3-87000108.1T183Y181-T183 PolarHBondContact O-N 3.03Å; Y181-T183 VanDerWaalsContact O-N 3.14Å
182F44.2Very low45.9Very low198 Ų198140 Ų14087%0.86873%0.73SS**  trans-61.3107.7167.7-94.6-96.9000108.5
183T40.3Very low48.9Very low117 Ų117136.6 Ų136.672%0.71871%0.712SS**  trans-94.1135.3153.648.90000106.8Y181 K185Y181-T183 PolarHBondContact O-N 3.03Å; Y181-T183 VanDerWaalsContact O-N 3.14Å; T183-K185 PolarHBondContact O-N 2.89Å
184P41.3Very low51.5Low126 Ų126128.9 Ų128.982%0.81868%0.678SS**  trans-62.1113.4176.7-7.820.8000107.4
185K35.6Very low54.6Low171 Ų171119.4 Ų119.474%0.74365%0.65SS**PPolyproline II helixtrans-53129.6169.4-144.4177.4-174.4178.90107T183T183-K185 PolarHBondContact O-N 2.89Å
186P40.9Very low57.3Low102 Ų102114.7 Ų114.766%0.66262%0.619SS**PPolyproline II helixtrans-54148165.822.9-30.2000108.7Q188P186-Q188 PolarHBondContact O-N 3.25Å
187P44.5Very low60.1Low124 Ų124110 Ų11081%0.80560%0.595SS**SBendtrans-50.1131.8-175.520.3-31.3000109.4D189P187-D189 PolarHBondContact O-N 3.28Å
188Q44Very low62.5Low162 Ų162106 Ų10676%0.75757%0.567SS**PPolyproline II helixtrans-47.8122.2-167.4-59.6-158.9-10.900110.9P186 S190P186-Q188 PolarHBondContact O-N 3.25Å; Q188-S190 PolarHBondContact O-N 3.42Å
189D53.4Low65.2Low157 Ų15797.9 Ų97.984%0.8453%0.529SS*.  trans-46.9115.3158.2-69.3-45.8000106.3P187 A191P187-D189 PolarHBondContact O-N 3.28Å; D189-A191 PolarHBondContact O-N 3.48Å
190S63.4Low67.7Low55 Ų5590.5 Ų90.539%0.38549%0.49SS..  trans-50.9120.1170.835.40000106.9Q188 V192 D216Q188-S190 PolarHBondContact O-N 3.42Å; S190-V192 PolarHBondContact O-N 2.98Å; S190-D216 PolarHBondContact OG-OD2 3.46Å
191A86.8Confident69.7Low62 Ų6287.5 Ų87.551%0.51247%0.469SS..  trans-57.6116.7-172.600000108.9D189 I193D189-A191 PolarHBondContact O-N 3.48Å; A191-I193 PolarHBondContact O-N 3.05Å; A191-I193 VanDerWaalsContact O-N 3.1Å
192V93.3Very high72.2Confident69 Ų6977 Ų7742%0.41843%0.431SS..  trans-64.6113.5-178.91790000108.4S190 A195 Q214 D216S190-V192 PolarHBondContact O-N 2.98Å; V192-A195 HydrophobicContact CG1-CB 3.75Å; V192-Q214 HydrophobicContact CG1-CG 3.78Å; V192-Q214 HydrophobicContact CG2-CG 4.02Å; V192-D216 WeakPolarHBondContact CA-OD1 3.48Å
193I95.8Very high74.1Confident82 Ų8269.8 Ų69.842%0.42141%0.408SS..SBendtrans-75.1-44.2179.7-61.7177.2000109.9A191 L215 E217 A283 A287A191-I193 PolarHBondContact O-N 3.05Å; A191-I193 VanDerWaalsContact O-N 3.1Å; I193-L215 HydrophobicContact CB-CD2 4.25Å; I193-L215 HydrophobicContact CB-CG 4.25Å; I193-L215 WeakPolarHBondContact CB-O 3.34Å; I193-L215 HydrophobicContact CG2-CD2 4.13Å; I193-L215 PolarHBondContact N-O 3.11Å; I193-E217 HydrophobicContact CD1-CG 4.14Å; I193-A283 HydrophobicContact CG2-CB 4.43Å; I193-A287 HydrophobicContact CD1-CB 3.82Å
194K96.4Very high76.1Confident30 Ų3070.6 Ų70.613%0.1341%0.413CS..EExtended strand (participates in β ladder)trans-153.6137.3175.9-172.8173.2168.375.40109.4L215 E276 S279 W280 A283K194-L215 PolarHBondContact N-O 3.2Å; K194-L215 PolarHBondContact O-N 2.97Å; K194-E276 IonicContact NZ-OE1 3.28Å; K194-E276 PolarHBondContact NZ-OE1 3.42Å; K194-E276 VanDerWaalsContact NZ-OE1 3.13Å; K194-E276 IonicContact NZ-OE2 3.76Å; K194-E276 PolarHBondContact NZ-OE2 2.85Å; K194-S279 PolarHBondContact NZ-OG 3.44Å; K194-S279 VanDerWaalsContact NZ-OG 3.13Å; K194-W280 HydrophobicContact CB-CE3 4.49Å; K194-W280 HydrophobicContact CB-CH2 4.3Å; K194-W280 HydrophobicContact CB-CZ3 4.08Å; K194-W280 HydrophobicContact CD-CD2 3.73Å; K194-W280 HydrophobicContact CD-CE3 3.83Å; K194-W280 HydrophobicContact CD-CG 4.18Å; K194-W280 HydrophobicContact CD-CH2 4.39Å; K194-W280 HydrophobicContact CD-CZ2 4.3Å; K194-W280 HydrophobicContact CD-CZ3 4.17Å; K194-W280 VanDerWaalsContact CE-CD1 3.48Å; K194-W280 VanDerWaalsContact CE-NE1 3.32Å; K194-W280 HydrophobicContact CG-CD2 4.32Å; K194-W280 HydrophobicContact CG-CE3 4.18Å; K194-W280 HydrophobicContact CG-CH2 3.92Å; K194-W280 HydrophobicContact CG-CZ2 4.05Å; K194-W280 HydrophobicContact CG-CZ3 3.98Å; K194-A283 HydrophobicContact CB-CB 4.17Å; K194-A283 HydrophobicContact CD-CB 4.06Å
195A96.2Very high77.9Confident34 Ų3471.2 Ų71.228%0.28141%0.406SS..EExtended strand (participates in β ladder)trans-136.3154.417000000110.6V192 Y212 F213 Q214V192-A195 HydrophobicContact CG1-CB 3.75Å; A195-Y212 HydrophobicContact CB-CE1 3.89Å; A195-Y212 HydrophobicContact CB-CE2 4.34Å; A195-Y212 VanDerWaalsContact CB-OH 3.25Å; A195-Y212 WeakPolarHBondContact CB-OH 3.33Å; A195-F213 CarbonylContact C-O 3.59Å; A195-F213 WeakPolarHBondContact CA-O 3.45Å; A195-Q214 HydrophobicContact CB-CG 4.3Å
196G93.8Very high80.1Confident15 Ų1568.7 Ų68.716%0.15540%0.395CS..EExtended strand (participates in β ladder)trans163.2166.4-178.900000112.8F213G196-F213 PolarHBondContact N-O 3.3Å; G196-F213 PolarHBondContact O-N 2.95Å
197Y91.9Very high82.1Confident67 Ų6768 Ų6826%0.26339%0.386SS..EExtended strand (participates in β ladder)trans-82.4137.1179.5-70.8-88.1000111.8P50 R210 R211 Y212 E226P50-Y197 HydrophobicContact CG-CD1 4.14Å; P50-Y197 HydrophobicContact CG-CD2 4.5Å; P50-Y197 HydrophobicContact CG-CE1 4.48Å; P50-Y197 HydrophobicContact CG-CG 4.15Å; Y197-R210 VanDerWaalsContact CB-NE 3.26Å; Y197-R210 HydrophobicContact CD1-CG 3.92Å; Y197-R210 HydrophobicContact CG-CG 4.43Å; Y197-R211 WeakPolarHBondContact CA-O 3.33Å; Y197-Y212 HydrophobicContact CD1-CD2 4.44Å; Y197-Y212 AromaticContact CD2-CD2 3.95Å; Y197-Y212 HydrophobicContact CD2-CD2 3.95Å; Y197-Y212 HydrophobicContact CE1-CD2 4.24Å; Y197-Y212 AromaticContact CE2-CD2 3.71Å; Y197-Y212 HydrophobicContact CE2-CD2 3.71Å; Y197-Y212 HydrophobicContact CE2-CE2 4.32Å; Y197-Y212 HydrophobicContact CG-CD2 4.3Å; Y197-Y212 AromaticContact CZ-CD2 3.86Å; Y197-E226 WeakPolarHBondContact OH-CB 3.34Å; Y197-E226 PolarHBondContact OH-N 3.38Å; Y197-E226 VanDerWaalsContact OH-N 3.15Å
198C92.6Very high84.1Confident0 Ų063.6 Ų63.60%035%0.354CS..EExtended strand (participates in β ladder)trans-137.5161.9167.7-58.50000110.2R210 R211 F213 V269 Q270 W280C198-R210 CarbonylContact O-C 3.59Å; C198-R210 WeakPolarHBondContact O-CA 3.41Å; C198-R211 PolarHBondContact N-O 3.42Å; C198-R211 PolarHBondContact O-N 3.17Å; C198-R211 VanDerWaalsContact O-O 3.13Å; C198-F213 HydrophobicContact CB-CD2 3.75Å; C198-F213 HydrophobicContact CB-CE2 3.84Å; C198-V269 HydrophobicContact CB-CG1 3.35Å; C198-Q270 WeakPolarHBondContact CB-O 3.45Å; C198-W280 PolarHBondContact SG-NE1 3.4Å
199V91.1Very high86.1Confident1 Ų160.7 Ų60.71%0.00634%0.338CS..EExtended strand (participates in β ladder)trans-100.4118.5176.3-1760000109.2L49 W208 R210 V269 Q270L49-V199 HydrophobicContact CD2-CG2 4.41Å; V199-W208 HydrophobicContact CG1-CB 3.71Å; V199-W208 HydrophobicContact CG1-CE3 4.2Å; V199-R210 HydrophobicContact CG2-CB 4.34Å; V199-R210 HydrophobicContact CG2-CG 4.5Å; V199-V269 CarbonylContact O-C 3.57Å; V199-V269 WeakPolarHBondContact O-CA 3.41Å; V199-Q270 HydrophobicContact CB-CB 4.31Å; V199-Q270 PolarHBondContact N-O 3.32Å; V199-Q270 PolarHBondContact O-N 2.98Å
200K92.4Very high87.7Confident12 Ų1254.7 Ų54.75%0.05230%0.304CS..EExtended strand (participates in β ladder)trans-114.2148.3-177.263.4162-58.3-58.60113.4W208 K209 R211 F213 Y222 Y268 V269K200-W208 CarbonylContact O-C 3.55Å; K200-W208 WeakPolarHBondContact O-CA 3.32Å; K200-K209 PolarHBondContact N-O 3.12Å; K200-K209 PolarHBondContact O-N 3.04Å; K200-R211 HydrophobicContact CD-CB 4.4Å; K200-R211 HydrophobicContact CD-CG 3.97Å; K200-R211 HydrophobicContact CG-CB 4.38Å; K200-R211 HydrophobicContact CG-CG 3.95Å; K200-F213 HydrophobicContact CB-CE2 4.18Å; K200-F213 HydrophobicContact CB-CZ 3.86Å; K200-F213 HydrophobicContact CD-CE2 4.29Å; K200-F213 HydrophobicContact CD-CZ 3.81Å; K200-F213 HydrophobicContact CG-CE2 4.24Å; K200-F213 HydrophobicContact CG-CZ 4.08Å; K200-Y222 HydrophobicContact CD-CD1 4.09Å; K200-Y222 HydrophobicContact CD-CD2 3.88Å; K200-Y222 HydrophobicContact CD-CE1 4.01Å; K200-Y222 HydrophobicContact CD-CE2 3.8Å; K200-Y222 HydrophobicContact CD-CG 4.03Å; K200-Y268 WeakPolarHBondContact CA-O 3.43Å; K200-V269 HydrophobicContact CB-CG2 4.24Å
201Q91.3Very high89.1Confident21 Ų2154.6 Ų54.610%0.09830%0.295CS..EExtended strand (participates in β ladder)trans-75.7136.3175.7-159.4-173.924.300112.3K206 N207 W208 R265 Y268Q201-K206 HydrophobicContact CG-CB 4.33Å; Q201-K206 HydrophobicContact CG-CD 4.45Å; Q201-K206 WeakPolarHBondContact CG-O 3.38Å; Q201-N207 CarbonylContact C-O 3.49Å; Q201-W208 HydrophobicContact CB-CD2 4.14Å; Q201-W208 HydrophobicContact CB-CE3 4.06Å; Q201-W208 HydrophobicContact CB-CH2 4.09Å; Q201-W208 HydrophobicContact CB-CZ2 4.18Å; Q201-W208 HydrophobicContact CB-CZ3 4.03Å; Q201-W208 HydrophobicContact CG-CD2 4.31Å; Q201-W208 HydrophobicContact CG-CZ2 4.18Å; Q201-R265 PolarHBondContact O-NH2 3.3Å; Q201-R265 VanDerWaalsContact O-NH2 3.12Å; Q201-Y268 PolarHBondContact N-O 2.85Å
202G87.3Confident89.5Confident11 Ų1152.9 Ų52.911%0.11328%0.275CS..  trans-62.3156175.600000112.7M205 N207 R265G202-M205 WeakPolarHBondContact CA-O 3.47Å; G202-N207 WeakPolarHBondContact CA-O 3.39Å; G202-N207 PolarHBondContact N-O 2.78Å; G202-R265 VanDerWaalsContact C-NH2 3.34Å; G202-R265 PolarHBondContact O-NH2 2.92Å
203A84.4Confident89.6Confident47 Ų4749.7 Ų49.739%0.38826%0.256SS..SBendtrans-71.8-59.7-178.300000111.9K206 R265A203-K206 PolarHBondContact O-NZ 3.44Å; A203-R265 VanDerWaalsContact CA-CZ 3.43Å; A203-R265 VanDerWaalsContact CA-NH2 3.3Å
204V82.5Confident89.7Confident135 Ų13548.3 Ų48.382%0.81825%0.248SC*.SBendtrans-90.4-75.9-174.6-177.70000108.4K206V204-K206 PolarHBondContact O-N 3.12Å
205M77.5Confident89.7Confident138 Ų13846.9 Ų46.968%0.6824%0.241SC*.SBendtrans-72.4113169.9-145.567.5176.900107.7G202 N207G202-M205 WeakPolarHBondContact CA-O 3.47Å; M205-N207 VanDerWaalsContact CG-ND2 3.31Å; M205-N207 WeakPolarHBondContact CG-ND2 3.24Å; M205-N207 PolarHBondContact O-N 3.48Å
206K83.3Confident89.7Confident118 Ų11845.9 Ų45.951%0.51323%0.232SC..  trans-67.227.3-175.6-63-54.3-175.4-1700114.5Q201 A203 V204Q201-K206 HydrophobicContact CG-CB 4.33Å; Q201-K206 HydrophobicContact CG-CD 4.45Å; Q201-K206 WeakPolarHBondContact CG-O 3.38Å; A203-K206 PolarHBondContact O-NZ 3.44Å; V204-K206 PolarHBondContact O-N 3.12Å
207N82.1Confident89.7Confident89 Ų8950.5 Ų50.548%0.47625%0.249SC..  trans-68.9143.5176.2-64.3-18.6000110.6Q201 G202 M205Q201-N207 CarbonylContact C-O 3.49Å; G202-N207 WeakPolarHBondContact CA-O 3.39Å; G202-N207 PolarHBondContact N-O 2.78Å; M205-N207 VanDerWaalsContact CG-ND2 3.31Å; M205-N207 WeakPolarHBondContact CG-ND2 3.24Å; M205-N207 PolarHBondContact O-N 3.48Å
208W86.4Confident89.8Confident31 Ų3151.5 Ų51.512%0.11726%0.259CS..EExtended strand (participates in β ladder)trans-91.8135.4178.5-66.685.9000109.7D44 V199 K200 Q201 M252 R254 L257 Q270D44-W208 WeakPolarHBondContact OD2-CB 3.38Å; V199-W208 HydrophobicContact CG1-CB 3.71Å; V199-W208 HydrophobicContact CG1-CE3 4.2Å; K200-W208 CarbonylContact O-C 3.55Å; K200-W208 WeakPolarHBondContact O-CA 3.32Å; Q201-W208 HydrophobicContact CB-CD2 4.14Å; Q201-W208 HydrophobicContact CB-CE3 4.06Å; Q201-W208 HydrophobicContact CB-CH2 4.09Å; Q201-W208 HydrophobicContact CB-CZ2 4.18Å; Q201-W208 HydrophobicContact CB-CZ3 4.03Å; Q201-W208 HydrophobicContact CG-CD2 4.31Å; Q201-W208 HydrophobicContact CG-CZ2 4.18Å; W208-M252 HydrophobicContact CH2-CE 3.98Å; W208-M252 HydrophobicContact CH2-SD 4.45Å; W208-M252 HydrophobicContact CZ2-CE 3.51Å; W208-M252 HydrophobicContact CZ2-SD 4.31Å; W208-R254 VanDerWaalsContact CB-NH2 3.3Å; W208-R254 HydrophobicContact CH2-CG 4.47Å; W208-R254 HydrophobicContact CZ2-CG 4.11Å; W208-L257 HydrophobicContact CH2-CD1 3.43Å; W208-L257 VanDerWaalsContact CH2-CD1 3.43Å; W208-L257 HydrophobicContact CH2-CD2 4.25Å; W208-L257 HydrophobicContact CZ3-CD1 3.6Å; W208-Q270 HydrophobicContact CZ3-CB 4.35Å
209K86.3Confident90Very high100 Ų10053.4 Ų53.444%0.43527%0.271SS..EExtended strand (participates in β ladder)trans-136.5129.6-176.6-65.6-170.6177.4-174.30110.4K200K200-K209 PolarHBondContact N-O 3.12Å; K200-K209 PolarHBondContact O-N 3.04Å
210R87.6Confident90.2Very high32 Ų3253.4 Ų53.412%0.12127%0.271CS..EExtended strand (participates in β ladder)trans-67131.5169.6-164.6115.7166.3178.62109.7N48 P50 Y197 C198 V199 D272N48-R210 WeakPolarHBondContact O-CB 3.4Å; P50-R210 HydrophobicContact CG-CG 3.96Å; Y197-R210 VanDerWaalsContact CB-NE 3.26Å; Y197-R210 HydrophobicContact CD1-CG 3.92Å; Y197-R210 HydrophobicContact CG-CG 4.43Å; C198-R210 CarbonylContact O-C 3.59Å; C198-R210 WeakPolarHBondContact O-CA 3.41Å; V199-R210 HydrophobicContact CG2-CB 4.34Å; V199-R210 HydrophobicContact CG2-CG 4.5Å; R210-D272 IonicContact CZ-OD1 3.29Å; R210-D272 IonicContact CZ-OD2 3.55Å; R210-D272 VanDerWaalsContact CZ-OD2 3.28Å; R210-D272 VanDerWaalsContact NH1-CG 3.34Å; R210-D272 IonicContact NH1-OD1 3.75Å; R210-D272 PolarHBondContact NH1-OD1 3.41Å; R210-D272 IonicContact NH1-OD2 2.76Å; R210-D272 PolarHBondContact NH1-OD2 2.92Å; R210-D272 IonicContact NH2-OD1 2.87Å; R210-D272 IonicContact NH2-OD2 3.25Å; R210-D272 PolarHBondContact NH2-OD2 3.42Å
211R92.9Very high90.4Very high52 Ų5253 Ų5320%0.19627%0.27CS..EExtended strand (participates in β ladder)trans-140.6146.7178.1-66.2-63.5-179.6-120.916.7109.1Y197 C198 K200 F213 Y222 F223Y197-R211 WeakPolarHBondContact CA-O 3.33Å; C198-R211 PolarHBondContact N-O 3.42Å; C198-R211 PolarHBondContact O-N 3.17Å; C198-R211 VanDerWaalsContact O-O 3.13Å; K200-R211 HydrophobicContact CD-CB 4.4Å; K200-R211 HydrophobicContact CD-CG 3.97Å; K200-R211 HydrophobicContact CG-CB 4.38Å; K200-R211 HydrophobicContact CG-CG 3.95Å; R211-F213 HydrophobicContact CB-CD2 4.33Å; R211-F213 HydrophobicContact CB-CE2 3.98Å; R211-F213 WeakPolarHBondContact O-CD2 3.29Å; R211-F213 PolarHBondContact O-N 2.91Å; R211-Y222 HydrophobicContact CB-CD2 4.2Å; R211-Y222 HydrophobicContact CB-CG 4.49Å; R211-Y222 HydrophobicContact CG-CD2 4.02Å; R211-F223 WeakPolarHBondContact CA-O 3.4Å; R211-F223 WeakPolarHBondContact CB-O 3.28Å; R211-F223 WeakPolarHBondContact CD-O 3.41Å
212Y93.3Very high90.6Very high26 Ų2653 Ų5310%0.10227%0.27CS..EExtended strand (participates in β ladder)trans-80.9115.5171.8-175-101.1000107.5A195 Y197 Y222 F223 E226A195-Y212 HydrophobicContact CB-CE1 3.89Å; A195-Y212 HydrophobicContact CB-CE2 4.34Å; A195-Y212 VanDerWaalsContact CB-OH 3.25Å; A195-Y212 WeakPolarHBondContact CB-OH 3.33Å; Y197-Y212 HydrophobicContact CD1-CD2 4.44Å; Y197-Y212 AromaticContact CD2-CD2 3.95Å; Y197-Y212 HydrophobicContact CD2-CD2 3.95Å; Y197-Y212 HydrophobicContact CE1-CD2 4.24Å; Y197-Y212 AromaticContact CE2-CD2 3.71Å; Y197-Y212 HydrophobicContact CE2-CD2 3.71Å; Y197-Y212 HydrophobicContact CE2-CE2 4.32Å; Y197-Y212 HydrophobicContact CG-CD2 4.3Å; Y197-Y212 AromaticContact CZ-CD2 3.86Å; Y212-Y222 CarbonylContact O-C 3.56Å; Y212-Y222 WeakPolarHBondContact O-CA 3.41Å; Y212-F223 HydrophobicContact CD1-CD2 4.18Å; Y212-F223 PolarHBondContact N-O 3Å; Y212-F223 VanDerWaalsContact N-O 3.07Å; Y212-F223 PolarHBondContact O-N 2.99Å; Y212-E226 HydrophobicContact CD1-CB 4.3Å; Y212-E226 HydrophobicContact CD2-CB 3.77Å; Y212-E226 HydrophobicContact CD2-CG 4.3Å; Y212-E226 HydrophobicContact CE1-CB 4.31Å; Y212-E226 HydrophobicContact CE1-CG 4.14Å; Y212-E226 HydrophobicContact CE2-CB 3.75Å; Y212-E226 HydrophobicContact CE2-CG 3.75Å; Y212-E226 WeakPolarHBondContact CE2-OE1 3.47Å; Y212-E226 HydrophobicContact CG-CB 4.01Å; Y212-E226 PolarHBondContact OH-OE1 3.25Å
213F96.7Very high91Very high3 Ų353.3 Ų53.31%0.01327%0.268CS..EExtended strand (participates in β ladder)trans-92.8142.7175.3-78.9-102.2000109.2A195 G196 C198 K200 R211 I220 G221 Y222 V269 W280A195-F213 CarbonylContact C-O 3.59Å; A195-F213 WeakPolarHBondContact CA-O 3.45Å; G196-F213 PolarHBondContact N-O 3.3Å; G196-F213 PolarHBondContact O-N 2.95Å; C198-F213 HydrophobicContact CB-CD2 3.75Å; C198-F213 HydrophobicContact CB-CE2 3.84Å; K200-F213 HydrophobicContact CB-CE2 4.18Å; K200-F213 HydrophobicContact CB-CZ 3.86Å; K200-F213 HydrophobicContact CD-CE2 4.29Å; K200-F213 HydrophobicContact CD-CZ 3.81Å; K200-F213 HydrophobicContact CG-CE2 4.24Å; K200-F213 HydrophobicContact CG-CZ 4.08Å; R211-F213 HydrophobicContact CB-CD2 4.33Å; R211-F213 HydrophobicContact CB-CE2 3.98Å; R211-F213 WeakPolarHBondContact O-CD2 3.29Å; R211-F213 PolarHBondContact O-N 2.91Å; F213-I220 HydrophobicContact CD1-CD1 4.19Å; F213-I220 HydrophobicContact CD1-CG1 4.26Å; F213-G221 WeakPolarHBondContact CA-O 3.5Å; F213-Y222 AromaticContact CE1-CD1 3.95Å; F213-Y222 HydrophobicContact CE1-CD1 3.95Å; F213-Y222 HydrophobicContact CE1-CG 4.25Å; F213-Y222 HydrophobicContact CZ-CD1 4.23Å; F213-Y222 HydrophobicContact CZ-CG 4.29Å; F213-V269 HydrophobicContact CE1-CG2 4.22Å; F213-V269 HydrophobicContact CE2-CG1 4.09Å; F213-V269 HydrophobicContact CZ-CG1 4Å; F213-V269 HydrophobicContact CZ-CG2 3.91Å; F213-W280 HydrophobicContact CB-CH2 3.61Å; F213-W280 HydrophobicContact CB-CZ2 3.95Å; F213-W280 HydrophobicContact CB-CZ3 4.21Å
214Q97.3Very high91.2Very high52 Ų5257 Ų5724%0.24328%0.275CS..EExtended strand (participates in β ladder)trans-134124.7174.5-168.11754000107.6V192 A195 I220 G221 F223V192-Q214 HydrophobicContact CG1-CG 3.78Å; V192-Q214 HydrophobicContact CG2-CG 4.02Å; A195-Q214 HydrophobicContact CB-CG 4.3Å; Q214-I220 CarbonylContact O-C 3.55Å; Q214-I220 WeakPolarHBondContact O-CA 3.39Å; Q214-G221 PolarHBondContact N-O 2.81Å; Q214-G221 PolarHBondContact O-N 3.08Å; Q214-F223 HydrophobicContact CB-CD2 4.48Å; Q214-F223 HydrophobicContact CB-CE2 3.82Å
215L97.4Very high91.5Very high0 Ų052.3 Ų52.30%025%0.248CC..EExtended strand (participates in β ladder)trans-110.2125.8174.9171.971.6000108.2I193 K194 I220 L237 W280 A283 V284 A287I193-L215 HydrophobicContact CB-CD2 4.25Å; I193-L215 HydrophobicContact CB-CG 4.25Å; I193-L215 WeakPolarHBondContact CB-O 3.34Å; I193-L215 HydrophobicContact CG2-CD2 4.13Å; I193-L215 PolarHBondContact N-O 3.11Å; K194-L215 PolarHBondContact N-O 3.2Å; K194-L215 PolarHBondContact O-N 2.97Å; L215-I220 HydrophobicContact CD1-CB 3.97Å; L215-L237 HydrophobicContact CD1-CD1 4.01Å; L215-L237 HydrophobicContact CD1-CD2 3.89Å; L215-L237 HydrophobicContact CD1-CG 4.45Å; L215-W280 HydrophobicContact CB-CZ3 3.98Å; L215-A283 VanDerWaalsContact CD2-C 3.4Å; L215-A283 HydrophobicContact CD2-CB 3.63Å; L215-V284 HydrophobicContact CD1-CG2 4.21Å; L215-V284 HydrophobicContact CD2-CB 4.47Å; L215-V284 HydrophobicContact CD2-CG2 3.93Å; L215-A287 HydrophobicContact CD1-CB 4.29Å; L215-A287 HydrophobicContact CD2-CB 4.43Å
216D95.4Very high92Very high14 Ų1451 Ų518%0.07524%0.24CC..  trans-116.7179.4173.2-62-9.5000109.6S190 V192 N218 T219S190-D216 PolarHBondContact OG-OD2 3.46Å; V192-D216 WeakPolarHBondContact CA-OD1 3.48Å; D216-N218 PolarHBondContact O-N 2.87Å; D216-N218 VanDerWaalsContact O-N 3.15Å; D216-T219 PolarHBondContact N-O 2.88Å
217E93.6Very high92.1Very high111 Ų11153 Ų5352%0.51926%0.256SS..SBendtrans-57.9-29.6178.4-61.9-177.7-17700113.4I193 Q291I193-E217 HydrophobicContact CD1-CG 4.14Å; E217-Q291 PolarHBondContact O-NE2 2.85Å
218N94.1Very high92.4Very high88 Ų8852.7 Ų52.747%0.47125%0.252SS..SBendtrans-108.8-29.5-172.6-66.2101.3000115.3D216 L237 Q291D216-N218 PolarHBondContact O-N 2.87Å; D216-N218 VanDerWaalsContact O-N 3.15Å; N218-L237 WeakPolarHBondContact O-CG 3.33Å; N218-L237 PolarHBondContact O-N 2.88Å; N218-Q291 PolarHBondContact O-NE2 3Å
219T96.1Very high92.4Very high40 Ų4060.8 Ų60.825%0.24529%0.287CS..EExtended strand (participates in β ladder)trans-145.7155.6-16876.40000111.8D216 V234 I235D216-T219 PolarHBondContact N-O 2.88Å; T219-V234 VanDerWaalsContact CB-CG1 3.49Å; T219-V234 HydrophobicContact CG2-CG1 3.69Å; T219-I235 CarbonylContact C-O 3.57Å; T219-I235 WeakPolarHBondContact CA-O 3.39Å
220I97Very high92.7Very high1 Ų163.7 Ų63.71%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-113.6114.4163-176.1165.8000109F213 Q214 L215 I235 L237 I260 W280 V284F213-I220 HydrophobicContact CD1-CD1 4.19Å; F213-I220 HydrophobicContact CD1-CG1 4.26Å; Q214-I220 CarbonylContact O-C 3.55Å; Q214-I220 WeakPolarHBondContact O-CA 3.39Å; L215-I220 HydrophobicContact CD1-CB 3.97Å; I220-I235 HydrophobicContact CG2-CB 3.8Å; I220-I235 HydrophobicContact CG2-CD1 4.36Å; I220-I235 HydrophobicContact CG2-CG2 4.23Å; I220-I235 PolarHBondContact N-O 2.77Å; I220-I235 WeakPolarHBondContact O-CB 3.28Å; I220-I235 PolarHBondContact O-N 3Å; I220-L237 HydrophobicContact CB-CD2 4.2Å; I220-L237 HydrophobicContact CG2-CD2 3.99Å; I220-I260 HydrophobicContact CD1-CD1 3.91Å; I220-W280 HydrophobicContact CD1-CZ3 4.48Å; I220-V284 HydrophobicContact CD1-CG2 3.81Å
221G96.1Very high92.9Very high5 Ų564.6 Ų64.65%0.05231%0.313CS..EExtended strand (participates in β ladder)trans-104.3159.2177.700000112F213 Q214 R233F213-G221 WeakPolarHBondContact CA-O 3.5Å; Q214-G221 PolarHBondContact N-O 2.81Å; Q214-G221 PolarHBondContact O-N 3.08Å; G221-R233 VanDerWaalsContact CA-O 3.27Å; G221-R233 WeakPolarHBondContact CA-O 3.39Å
222Y95.7Very high92.9Very high20 Ų2066.6 Ų66.68%0.07833%0.327CS..EExtended strand (participates in β ladder)trans-136.1144.1163.963.9-97.2000112.8K200 R211 Y212 F213 L232 R233 F267K200-Y222 HydrophobicContact CD-CD1 4.09Å; K200-Y222 HydrophobicContact CD-CD2 3.88Å; K200-Y222 HydrophobicContact CD-CE1 4.01Å; K200-Y222 HydrophobicContact CD-CE2 3.8Å; K200-Y222 HydrophobicContact CD-CG 4.03Å; R211-Y222 HydrophobicContact CB-CD2 4.2Å; R211-Y222 HydrophobicContact CB-CG 4.49Å; R211-Y222 HydrophobicContact CG-CD2 4.02Å; Y212-Y222 CarbonylContact O-C 3.56Å; Y212-Y222 WeakPolarHBondContact O-CA 3.41Å; F213-Y222 AromaticContact CE1-CD1 3.95Å; F213-Y222 HydrophobicContact CE1-CD1 3.95Å; F213-Y222 HydrophobicContact CE1-CG 4.25Å; F213-Y222 HydrophobicContact CZ-CD1 4.23Å; F213-Y222 HydrophobicContact CZ-CG 4.29Å; Y222-L232 HydrophobicContact CD2-CB 3.92Å; Y222-L232 HydrophobicContact CD2-CD1 4.16Å; Y222-L232 HydrophobicContact CE2-CB 3.7Å; Y222-L232 HydrophobicContact CE2-CD1 4.2Å; Y222-L232 WeakPolarHBondContact O-CB 3.23Å; Y222-L232 PolarHBondContact O-N 2.8Å; Y222-R233 HydrophobicContact CD1-CB 4.33Å; Y222-R233 HydrophobicContact CE1-CB 3.59Å; Y222-R233 HydrophobicContact CE1-CG 4.27Å; Y222-R233 HydrophobicContact CE2-CB 4.2Å; Y222-R233 PolarHBondContact N-O 2.82Å; Y222-R233 PolarHBondContact O-N 2.95Å; Y222-R233 WeakPolarHBondContact OH-CB 3.37Å; Y222-F267 HydrophobicContact CE1-CE1 4.27Å
223F94.3Very high93Very high18 Ų1870.1 Ų70.18%0.07934%0.34CS..EExtended strand (participates in β ladder)trans-120.3159.5-172.5-56.7-103.8000109.9R211 Y212 Q214 S225 E228 E230 P231R211-F223 WeakPolarHBondContact CA-O 3.4Å; R211-F223 WeakPolarHBondContact CB-O 3.28Å; R211-F223 WeakPolarHBondContact CD-O 3.41Å; Y212-F223 HydrophobicContact CD1-CD2 4.18Å; Y212-F223 PolarHBondContact N-O 3Å; Y212-F223 VanDerWaalsContact N-O 3.07Å; Y212-F223 PolarHBondContact O-N 2.99Å; Q214-F223 HydrophobicContact CB-CD2 4.48Å; Q214-F223 HydrophobicContact CB-CE2 3.82Å; F223-S225 VanDerWaalsContact C-N 3.28Å; F223-S225 WeakPolarHBondContact CB-O 3.48Å; F223-S225 PolarHBondContact O-N 2.88Å; F223-E228 HydrophobicContact CB-CB 4.48Å; F223-E228 WeakPolarHBondContact CD1-O 2.93Å; F223-E230 VanDerWaalsContact CD1-C 3.48Å; F223-E230 WeakPolarHBondContact CD1-O 3.25Å; F223-P231 VanDerWaalsContact CD1-CA 3.45Å; F223-P231 HydrophobicContact CD1-CB 4.08Å; F223-P231 VanDerWaalsContact CE1-CA 3.44Å; F223-P231 HydrophobicContact CE1-CB 3.64Å; F223-P231 HydrophobicContact CE1-CG 4.15Å; F223-P231 HydrophobicContact CE2-CB 4.21Å; F223-P231 HydrophobicContact CZ-CB 3.71Å; F223-P231 HydrophobicContact CZ-CG 4.3Å
224K89.1Confident92.9Very high125 Ų12573.3 Ų73.354%0.54336%0.359SS..SBendtrans-63.1-39.4174.3-176.8-177.3171-163.90110.8E228 L232K224-E228 HydrophobicContact CB-CG 4.16Å; K224-L232 HydrophobicContact CB-CD1 4.19Å
225S88.4Confident92.9Very high35 Ų3571.1 Ų71.125%0.24535%0.349CS..SBendtrans-153.3168.7171.853.10000110.4F223 L227 E228F223-S225 VanDerWaalsContact C-N 3.28Å; F223-S225 WeakPolarHBondContact CB-O 3.48Å; F223-S225 PolarHBondContact O-N 2.88Å; S225-L227 PolarHBondContact O-N 3.34Å; S225-E228 WeakPolarHBondContact O-CB 3.2Å; S225-E228 PolarHBondContact O-N 2.82Å; S225-E228 VanDerWaalsContact OG-CG 3.3Å; S225-E228 WeakPolarHBondContact OG-CG 3.15Å
226E88.4Confident92.8Very high111 Ų11173.1 Ų73.152%0.51936%0.362SS..THydrogen-bonded Turntrans-59.1-27176.7-178.4167.1-134.500114.3Y197 Y212 E228Y197-E226 WeakPolarHBondContact OH-CB 3.34Å; Y197-E226 PolarHBondContact OH-N 3.38Å; Y197-E226 VanDerWaalsContact OH-N 3.15Å; Y212-E226 HydrophobicContact CD1-CB 4.3Å; Y212-E226 HydrophobicContact CD2-CB 3.77Å; Y212-E226 HydrophobicContact CD2-CG 4.3Å; Y212-E226 HydrophobicContact CE1-CB 4.31Å; Y212-E226 HydrophobicContact CE1-CG 4.14Å; Y212-E226 HydrophobicContact CE2-CB 3.75Å; Y212-E226 HydrophobicContact CE2-CG 3.75Å; Y212-E226 WeakPolarHBondContact CE2-OE1 3.47Å; Y212-E226 HydrophobicContact CG-CB 4.01Å; Y212-E226 PolarHBondContact OH-OE1 3.25Å; E226-E228 VanDerWaalsContact C-N 3.29Å; E226-E228 PolarHBondContact O-N 2.84Å
227L86.4Confident92.8Very high161 Ų16172.5 Ų72.584%0.84336%0.359SS*.THydrogen-bonded Turntrans-79.5-10.7-179.5-57.5177.3000113.9S225S225-L227 PolarHBondContact O-N 3.34Å
228E88.3Confident92.7Very high82 Ų8275.3 Ų75.338%0.38337%0.369SS..  trans-84.8130.5-174.5-64.7-89.1-156.200109.5F223 K224 S225 E226F223-E228 HydrophobicContact CB-CB 4.48Å; F223-E228 WeakPolarHBondContact CD1-O 2.93Å; K224-E228 HydrophobicContact CB-CG 4.16Å; S225-E228 WeakPolarHBondContact O-CB 3.2Å; S225-E228 PolarHBondContact O-N 2.82Å; S225-E228 VanDerWaalsContact OG-CG 3.3Å; S225-E228 WeakPolarHBondContact OG-CG 3.15Å; E226-E228 VanDerWaalsContact C-N 3.29Å; E226-E228 PolarHBondContact O-N 2.84Å
229K86.9Confident92.7Very high200 Ų20075 Ų7587%0.8737%0.365SS*.SBendtrans-78.5-29-179-65-173.3179-177.10112.9
230E90.8Very high92.7Very high161 Ų16173.1 Ų73.175%0.75235%0.354SS*.SBendtrans-99.8125.4-176.1-67.5-167.8166.900111.8F223F223-E230 VanDerWaalsContact CD1-C 3.48Å; F223-E230 WeakPolarHBondContact CD1-O 3.25Å
231P93.7Very high92.6Very high52 Ų5278.7 Ų78.734%0.33838%0.379SS..  trans-69135.9174.126.7-31.3000109.9F223 R233 V234F223-P231 VanDerWaalsContact CD1-CA 3.45Å; F223-P231 HydrophobicContact CD1-CB 4.08Å; F223-P231 VanDerWaalsContact CE1-CA 3.44Å; F223-P231 HydrophobicContact CE1-CB 3.64Å; F223-P231 HydrophobicContact CE1-CG 4.15Å; F223-P231 HydrophobicContact CE2-CB 4.21Å; F223-P231 HydrophobicContact CZ-CB 3.71Å; F223-P231 HydrophobicContact CZ-CG 4.3Å; P231-R233 PolarHBondContact O-N 3.32Å; P231-V234 HydrophobicContact CB-CG2 3.72Å; P231-V234 HydrophobicContact CG-CG2 3.29Å
232L93Very high92.5Very high93 Ų9383 Ų8349%0.48740%0.397SS..SBendtrans-63.9-30.1170.7-67.3172.8000111.4Y222 K224Y222-L232 HydrophobicContact CD2-CB 3.92Å; Y222-L232 HydrophobicContact CD2-CD1 4.16Å; Y222-L232 HydrophobicContact CE2-CB 3.7Å; Y222-L232 HydrophobicContact CE2-CD1 4.2Å; Y222-L232 WeakPolarHBondContact O-CB 3.23Å; Y222-L232 PolarHBondContact O-N 2.8Å; K224-L232 HydrophobicContact CB-CD1 4.19Å
233R94.5Very high92.6Very high101 Ų10182.8 Ų82.838%0.38140%0.397SS..EExtended strand (participates in β ladder)trans-158141.2171.3-175.2172.1-68.5-149.7-9.8109.3G221 Y222 P231 I235G221-R233 VanDerWaalsContact CA-O 3.27Å; G221-R233 WeakPolarHBondContact CA-O 3.39Å; Y222-R233 HydrophobicContact CD1-CB 4.33Å; Y222-R233 HydrophobicContact CE1-CB 3.59Å; Y222-R233 HydrophobicContact CE1-CG 4.27Å; Y222-R233 HydrophobicContact CE2-CB 4.2Å; Y222-R233 PolarHBondContact N-O 2.82Å; Y222-R233 PolarHBondContact O-N 2.95Å; Y222-R233 WeakPolarHBondContact OH-CB 3.37Å; P231-R233 PolarHBondContact O-N 3.32Å; R233-I235 HydrophobicContact CG-CG1 4.19Å
234V95.6Very high92.7Very high69 Ų6983.8 Ų83.842%0.41840%0.403SS..EExtended strand (participates in β ladder)trans-108.6133.3166.7-1770000107.7T219 P231T219-V234 VanDerWaalsContact CB-CG1 3.49Å; T219-V234 HydrophobicContact CG2-CG1 3.69Å; P231-V234 HydrophobicContact CB-CG2 3.72Å; P231-V234 HydrophobicContact CG-CG2 3.29Å
235I95.9Very high93.1Very high6 Ų683 Ų833%0.03140%0.401CS..EExtended strand (participates in β ladder)trans-115.6108.9176.5-56.4166.6000107T219 I220 R233 L237 V240 T262 F267T219-I235 CarbonylContact C-O 3.57Å; T219-I235 WeakPolarHBondContact CA-O 3.39Å; I220-I235 HydrophobicContact CG2-CB 3.8Å; I220-I235 HydrophobicContact CG2-CD1 4.36Å; I220-I235 HydrophobicContact CG2-CG2 4.23Å; I220-I235 PolarHBondContact N-O 2.77Å; I220-I235 WeakPolarHBondContact O-CB 3.28Å; I220-I235 PolarHBondContact O-N 3Å; R233-I235 HydrophobicContact CG-CG1 4.19Å; I235-L237 PolarHBondContact O-N 3.27Å; I235-V240 HydrophobicContact CG2-CG2 3.96Å; I235-T262 HydrophobicContact CG2-CG2 3.66Å; I235-F267 HydrophobicContact CD1-CD1 4.23Å; I235-F267 HydrophobicContact CD1-CD2 3.85Å; I235-F267 HydrophobicContact CD1-CE1 3.93Å; I235-F267 HydrophobicContact CD1-CE2 3.53Å; I235-F267 HydrophobicContact CD1-CG 4.19Å; I235-F267 HydrophobicContact CD1-CZ 3.56Å; I235-F267 HydrophobicContact CG1-CE2 4.23Å; I235-F267 HydrophobicContact CG1-CZ 4.11Å
236P95.2Very high93.3Very high42 Ų4281.5 Ų81.527%0.27339%0.39SS..EExtended strand (participates in β ladder)trans-60.5131.6174-21.733.4000110.5K238 E239P236-K238 PolarHBondContact O-N 2.74Å; P236-K238 VanDerWaalsContact O-N 3.12Å; P236-E239 HydrophobicContact CB-CG 4.26Å; P236-E239 HydrophobicContact CG-CG 4.44Å; P236-E239 WeakPolarHBondContact O-CB 3.24Å; P236-E239 PolarHBondContact O-N 3.09Å
237L95.1Very high93.4Very high1 Ų184.6 Ų84.61%0.00540%0.402CS..G310 helixtrans-64.4-21-179.7-62.9180000112.6L215 N218 I220 I235 E239 V240 V284 A287 I288L215-L237 HydrophobicContact CD1-CD1 4.01Å; L215-L237 HydrophobicContact CD1-CD2 3.89Å; L215-L237 HydrophobicContact CD1-CG 4.45Å; N218-L237 WeakPolarHBondContact O-CG 3.33Å; N218-L237 PolarHBondContact O-N 2.88Å; I220-L237 HydrophobicContact CB-CD2 4.2Å; I220-L237 HydrophobicContact CG2-CD2 3.99Å; I235-L237 PolarHBondContact O-N 3.27Å; L237-E239 PolarHBondContact O-N 3.45Å; L237-V240 HydrophobicContact CD2-CG2 4.27Å; L237-V240 WeakPolarHBondContact O-CB 3.33Å; L237-V240 PolarHBondContact O-N 3.33Å; L237-V240 VanDerWaalsContact O-N 3.08Å; L237-V284 HydrophobicContact CD2-CG1 4.29Å; L237-A287 HydrophobicContact CD1-CB 3.46Å; L237-A287 VanDerWaalsContact CD1-CB 3.46Å; L237-I288 HydrophobicContact CB-CG1 4.07Å; L237-I288 HydrophobicContact CD2-CG1 4.39Å
238K93Very high93.5Very high170 Ų17081 Ų8174%0.73938%0.38SS*.G310 helixtrans-61.2-28.6171.6-62-177.3-178.4179.10113P236P236-K238 PolarHBondContact O-N 2.74Å; P236-K238 VanDerWaalsContact O-N 3.12Å
239E94.4Very high93.3Very high81 Ų8177.8 Ų77.838%0.37937%0.367SS..G310 helixtrans-86.8-9.9177.1-62.7177.8-167.700112.5P236 L237 H241 T262 T263P236-E239 HydrophobicContact CB-CG 4.26Å; P236-E239 HydrophobicContact CG-CG 4.44Å; P236-E239 WeakPolarHBondContact O-CB 3.24Å; P236-E239 PolarHBondContact O-N 3.09Å; L237-E239 PolarHBondContact O-N 3.45Å; E239-H241 PolarHBondContact O-N 3.01Å; E239-T262 WeakPolarHBondContact O-CA 3.41Å; E239-T262 WeakPolarHBondContact O-CB 3.43Å; E239-T263 PolarHBondContact O-N 3.44Å
240V96.1Very high93.1Very high1 Ų172.4 Ų72.41%0.00635%0.348CS..EExtended strand (participates in β ladder)trans-82.5111179.4-177.60000108.8I235 L237 I260 T262 I288I235-V240 HydrophobicContact CG2-CG2 3.96Å; L237-V240 HydrophobicContact CD2-CG2 4.27Å; L237-V240 WeakPolarHBondContact O-CB 3.33Å; L237-V240 PolarHBondContact O-N 3.33Å; L237-V240 VanDerWaalsContact O-N 3.08Å; V240-I260 HydrophobicContact CB-CG2 4.48Å; V240-I260 HydrophobicContact CG1-CG2 3.7Å; V240-I260 HydrophobicContact CG2-CG2 3.94Å; V240-T262 HydrophobicContact CG2-CG2 4.29Å; V240-I288 HydrophobicContact CB-CD1 3.86Å; V240-I288 HydrophobicContact CG1-CD1 3.57Å
241H94.5Very high92.7Very high118 Ų11871.3 Ų71.355%0.54635%0.346SS..EExtended strand (participates in β ladder)trans-82.1-33.4176.2-64.5-45.7000112E239 V261 T263E239-H241 PolarHBondContact O-N 3.01Å; H241-V261 PolarHBondContact N-O 2.97Å; H241-T263 WeakPolarHBondContact NE2-CA 3.38Å; H241-T263 PolarHBondContact NE2-OG1 3.39Å; H241-T263 VanDerWaalsContact NE2-OG1 3.13Å
242K93.9Very high92.3Very high96 Ų9670.8 Ų70.842%0.41734%0.339SS..EExtended strand (participates in β ladder)trans-155.6143.8-174-157.2-179.4-167.7-169.60111.5Q244 V261K242-Q244 HydrophobicContact CD-CG 4.2Å; K242-Q244 HydrophobicContact CG-CG 4.4Å; K242-Q244 VanDerWaalsContact NZ-NE2 3.18Å; K242-V261 HydrophobicContact CB-CB 3.95Å; K242-V261 HydrophobicContact CB-CG2 4.1Å; K242-V261 PolarHBondContact N-O 3.37Å; K242-V261 PolarHBondContact O-N 3.35Å
243V97.1Very high92Very high15 Ų1568.8 Ų68.89%0.09133%0.328CS..EExtended strand (participates in β ladder)trans-132.3126.8164.160.60000108.2F258 E259 I260 I281 V284 S285V243-F258 HydrophobicContact CG2-CD2 4.2Å; V243-E259 WeakPolarHBondContact CA-O 3.18Å; V243-I260 HydrophobicContact CG2-CG1 4.13Å; V243-I281 HydrophobicContact CG2-CB 4.46Å; V243-I281 HydrophobicContact CG2-CG1 4.23Å; V243-I281 HydrophobicContact CG2-CG2 4.45Å; V243-V284 HydrophobicContact CB-CB 4.48Å; V243-V284 HydrophobicContact CB-CG1 4.06Å; V243-V284 HydrophobicContact CG1-CB 4.08Å; V243-V284 HydrophobicContact CG1-CG1 3.86Å; V243-V284 HydrophobicContact CG2-CB 4.26Å; V243-V284 HydrophobicContact CG2-CG1 4.23Å; V243-S285 WeakPolarHBondContact CG1-OG 3.33Å
244Q96.8Very high91.7Very high40 Ų4064.2 Ų64.219%0.18731%0.311CS..EExtended strand (participates in β ladder)trans-159.8168-17662.5169.315.600112K242 F258 E259K242-Q244 HydrophobicContact CD-CG 4.2Å; K242-Q244 HydrophobicContact CG-CG 4.4Å; K242-Q244 VanDerWaalsContact NZ-NE2 3.18Å; Q244-F258 CarbonylContact O-C 3.59Å; Q244-F258 VanDerWaalsContact O-CA 3.31Å; Q244-F258 WeakPolarHBondContact O-CA 3.49Å; Q244-F258 WeakPolarHBondContact O-CB 3.23Å; Q244-E259 HydrophobicContact CG-CG 3.81Å; Q244-E259 PolarHBondContact N-O 3.26Å; Q244-E259 VanDerWaalsContact N-O 3.12Å; Q244-E259 PolarHBondContact NE2-OE1 3.42Å; Q244-E259 PolarHBondContact O-N 3.35Å
245E96.7Very high91.4Very high109 Ų10962.6 Ų62.651%0.50930%0.3SS..EExtended strand (participates in β ladder)trans-60.5137.1167.4-171.1175.1-177.300110.8K247 M277 I281E245-K247 PolarHBondContact O-N 3.33Å; E245-M277 HydrophobicContact CG-CE 3.95Å; E245-M277 HydrophobicContact CG-SD 4.1Å; E245-I281 HydrophobicContact CB-CD1 4.42Å
246C94.2Very high91.3Very high2 Ų263.7 Ų63.71%0.01431%0.306CS..  trans-78.9116.2-176.1-178.20000110.5Q248 S249 L257 Y268C246-Q248 PolarHBondContact O-N 3.26Å; C246-Q248 PolarHBondContact SG-N 3.37Å; C246-Q248 VanDerWaalsContact SG-N 3.4Å; C246-S249 WeakPolarHBondContact O-CB 3.29Å; C246-S249 PolarHBondContact O-N 2.92Å; C246-S249 PolarHBondContact O-OG 3.31Å; C246-L257 HydrophobicContact CB-CB 4.12Å; C246-L257 HydrophobicContact CB-CD2 3.71Å; C246-L257 HydrophobicContact CB-CG 3.67Å; C246-L257 VanDerWaalsContact CB-O 3.3Å; C246-L257 WeakPolarHBondContact CB-O 3.49Å; C246-L257 PolarHBondContact N-O 2.64Å; C246-Y268 VanDerWaalsContact SG-CE1 3.58Å
247K89.6Confident91.2Very high177 Ų17761.8 Ų61.877%0.7729%0.294SS*.THydrogen-bonded Turntrans-67.6-17.7175.8-62.7-173.2-177.4-172.50113.6E245 S249E245-K247 PolarHBondContact O-N 3.33Å; K247-S249 VanDerWaalsContact C-N 3.33Å
248Q87.5Confident91.3Very high84 Ų8461.9 Ų61.939%0.39329%0.294SS..THydrogen-bonded Turntrans-92.710.5179.2-63.9176.8-32.300112.6C246 D250 I251 M252 Y268C246-Q248 PolarHBondContact O-N 3.26Å; C246-Q248 PolarHBondContact SG-N 3.37Å; C246-Q248 VanDerWaalsContact SG-N 3.4Å; Q248-D250 VanDerWaalsContact C-N 3.25Å; Q248-D250 PolarHBondContact O-N 3.23Å; Q248-I251 PolarHBondContact O-N 3.28Å; Q248-I251 VanDerWaalsContact O-N 3.13Å; Q248-M252 HydrophobicContact CB-CG 4.48Å; Q248-M252 VanDerWaalsContact O-CG 3.32Å; Q248-M252 WeakPolarHBondContact O-CG 3.3Å; Q248-M252 PolarHBondContact O-N 3.26Å; Q248-Y268 PolarHBondContact OE1-OH 2.95Å
249S85.4Confident91.5Very high16 Ų1654.9 Ų54.911%0.11226%0.264CS..THydrogen-bonded Turntrans-52.9-41.1179.856.10000113.1C246 K247 M252 M253 R254C246-S249 WeakPolarHBondContact O-CB 3.29Å; C246-S249 PolarHBondContact O-N 2.92Å; C246-S249 PolarHBondContact O-OG 3.31Å; K247-S249 VanDerWaalsContact C-N 3.33Å; S249-M252 CarbonylContact O-C 3.55Å; S249-M252 PolarHBondContact O-N 3.4Å; S249-M253 PolarHBondContact O-N 3.03Å; S249-R254 WeakPolarHBondContact CB-O 3.2Å; S249-R254 PolarHBondContact O-N 3.05Å
250D81.6Confident91.7Very high87 Ų8751 Ų5147%0.46525%0.246SC..THydrogen-bonded Turntrans-68.3-43177.5-63.9-28.8000112.3K24 Q248 M252 M253K24-D250 WeakPolarHBondContact CE-OD1 3.34Å; K24-D250 IonicContact NZ-OD1 3.9Å; K24-D250 PolarHBondContact NZ-OD1 2.85Å; Q248-D250 VanDerWaalsContact C-N 3.25Å; Q248-D250 PolarHBondContact O-N 3.23Å; D250-M252 VanDerWaalsContact C-N 3.26Å; D250-M252 PolarHBondContact O-N 3.44Å; D250-M253 PolarHBondContact O-N 3.38Å; D250-M253 VanDerWaalsContact O-N 3.11Å
251I83.6Confident91.7Very high138 Ų13852.6 Ų52.671%0.70826%0.255SS*.THydrogen-bonded Turntrans-64.3-36.2177.4-61.4172.5000110.5Q248 M253Q248-I251 PolarHBondContact O-N 3.28Å; Q248-I251 VanDerWaalsContact O-N 3.13Å; I251-M253 VanDerWaalsContact C-N 3.28Å
252M84.6Confident91.8Very high40 Ų4047.4 Ų47.420%0.19723%0.232CC..THydrogen-bonded Turntrans-84.8-1.2178.5-60.3-176.895.900113.2W208 Q248 S249 D250 R254 L257 Y268W208-M252 HydrophobicContact CH2-CE 3.98Å; W208-M252 HydrophobicContact CH2-SD 4.45Å; W208-M252 HydrophobicContact CZ2-CE 3.51Å; W208-M252 HydrophobicContact CZ2-SD 4.31Å; Q248-M252 HydrophobicContact CB-CG 4.48Å; Q248-M252 VanDerWaalsContact O-CG 3.32Å; Q248-M252 WeakPolarHBondContact O-CG 3.3Å; Q248-M252 PolarHBondContact O-N 3.26Å; S249-M252 CarbonylContact O-C 3.55Å; S249-M252 PolarHBondContact O-N 3.4Å; D250-M252 VanDerWaalsContact C-N 3.26Å; D250-M252 PolarHBondContact O-N 3.44Å; M252-R254 VanDerWaalsContact O-CG 3.29Å; M252-R254 WeakPolarHBondContact O-CG 3.49Å; M252-R254 PolarHBondContact O-N 2.89Å; M252-L257 HydrophobicContact CB-CD2 4.45Å; M252-L257 HydrophobicContact SD-CD2 3.73Å; M252-Y268 HydrophobicContact CE-CD2 4.23Å; M252-Y268 HydrophobicContact CE-CG 4.19Å; M252-Y268 HydrophobicContact SD-CD1 4.1Å; M252-Y268 HydrophobicContact SD-CE1 4.35Å; M252-Y268 HydrophobicContact SD-CG 4.25Å
253M87.1Confident91.7Very high52 Ų5247.6 Ų47.626%0.25624%0.241SC..THydrogen-bonded Turntrans50.439.4-177.3-55.2-64.9-172.400112.7F25 L26 R27 S249 D250 I251F25-M253 HydrophobicContact CB-CE 4.36Å; F25-M253 HydrophobicContact CB-SD 3.86Å; L26-M253 WeakPolarHBondContact CA-O 3.44Å; R27-M253 HydrophobicContact CB-CB 3.99Å; R27-M253 PolarHBondContact N-O 3.01Å; S249-M253 PolarHBondContact O-N 3.03Å; D250-M253 PolarHBondContact O-N 3.38Å; D250-M253 VanDerWaalsContact O-N 3.11Å; I251-M253 VanDerWaalsContact C-N 3.28Å
254R88.1Confident91.3Very high5 Ų551.5 Ų51.52%0.01927%0.269CS..  trans-128.5131.1-177.1-67.8-122179-155.3-4.3111M43 D44 W208 S249 M252 L257 Q270M43-R254 PolarHBondContact O-NH1 3.15Å; D44-R254 IonicContact OD2-CZ 2.82Å; D44-R254 IonicContact OD2-NH1 3.38Å; D44-R254 PolarHBondContact OD2-NH1 3.1Å; D44-R254 IonicContact OD2-NH2 2.83Å; D44-R254 PolarHBondContact OD2-NH2 2.75Å; W208-R254 VanDerWaalsContact CB-NH2 3.3Å; W208-R254 HydrophobicContact CH2-CG 4.47Å; W208-R254 HydrophobicContact CZ2-CG 4.11Å; S249-R254 WeakPolarHBondContact CB-O 3.2Å; S249-R254 PolarHBondContact O-N 3.05Å; M252-R254 VanDerWaalsContact O-CG 3.29Å; M252-R254 WeakPolarHBondContact O-CG 3.49Å; M252-R254 PolarHBondContact O-N 2.89Å; R254-L257 HydrophobicContact CB-CD2 4.44Å; R254-Q270 VanDerWaalsContact CD-OE1 3.27Å
255D89.8Confident91.2Very high34 Ų3451.6 Ų51.618%0.18227%0.268CS..SBendtrans-84164.217354.2-23.3000112.1L26 R28 L257 Q270L26-D255 HydrophobicContact CD1-CB 4.22Å; L26-D255 HydrophobicContact CD2-CB 4.05Å; R28-D255 IonicContact CZ-OD1 2.7Å; R28-D255 IonicContact CZ-OD2 3.2Å; R28-D255 IonicContact NH1-OD1 2.58Å; R28-D255 PolarHBondContact NH1-OD1 2.88Å; R28-D255 IonicContact NH1-OD2 2.82Å; R28-D255 VanDerWaalsContact NH2-CG 3.33Å; R28-D255 IonicContact NH2-OD1 2.79Å; R28-D255 PolarHBondContact NH2-OD1 3Å; R28-D255 IonicContact NH2-OD2 3.45Å; R28-D255 PolarHBondContact NH2-OD2 2.85Å; D255-L257 PolarHBondContact O-N 2.91Å; D255-L257 VanDerWaalsContact O-N 3.09Å; D255-Q270 WeakPolarHBondContact O-CG 3.22Å; D255-Q270 PolarHBondContact O-NE2 2.9Å; D255-Q270 PolarHBondContact OD1-NE2 3.02Å
256N92.3Very high91.1Very high30 Ų3048.5 Ų48.516%0.1626%0.256CS..SBendtrans51.137.1175.3-50-36.2000113.2Q270 A271 S273 P274 M277N256-Q270 WeakPolarHBondContact O-CA 3.28Å; N256-A271 HydrophobicContact CB-CB 4.43Å; N256-A271 VanDerWaalsContact CB-O 3.3Å; N256-A271 WeakPolarHBondContact CB-O 3.34Å; N256-A271 PolarHBondContact O-N 2.7Å; N256-S273 VanDerWaalsContact CG-C 3.5Å; N256-P274 WeakPolarHBondContact OD1-CA 3.49Å; N256-P274 WeakPolarHBondContact OD1-CD 3.41Å; N256-M277 VanDerWaalsContact CA-SD 3.6Å; N256-M277 HydrophobicContact CB-CB 4.39Å
257L95Very high91.2Very high2 Ų248.6 Ų48.61%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-97.8124.5-172.3-17271.8000111.1W208 C246 M252 R254 D255 V269 Q270 M277W208-L257 HydrophobicContact CH2-CD1 3.43Å; W208-L257 VanDerWaalsContact CH2-CD1 3.43Å; W208-L257 HydrophobicContact CH2-CD2 4.25Å; W208-L257 HydrophobicContact CZ3-CD1 3.6Å; C246-L257 HydrophobicContact CB-CB 4.12Å; C246-L257 HydrophobicContact CB-CD2 3.71Å; C246-L257 HydrophobicContact CB-CG 3.67Å; C246-L257 VanDerWaalsContact CB-O 3.3Å; C246-L257 WeakPolarHBondContact CB-O 3.49Å; C246-L257 PolarHBondContact N-O 2.64Å; M252-L257 HydrophobicContact CB-CD2 4.45Å; M252-L257 HydrophobicContact SD-CD2 3.73Å; R254-L257 HydrophobicContact CB-CD2 4.44Å; D255-L257 PolarHBondContact O-N 2.91Å; D255-L257 VanDerWaalsContact O-N 3.09Å; L257-V269 WeakPolarHBondContact CD1-O 3.22Å; L257-Q270 HydrophobicContact CD1-CB 3.95Å; L257-M277 PolarHBondContact N-SD 3.17Å; L257-M277 VanDerWaalsContact N-SD 3.45Å
258F97.1Very high91.5Very high2 Ų242.1 Ų42.11%0.00923%0.228CC..EExtended strand (participates in β ladder)trans-120.9160.8171.270.8-83.6000111V243 Q244 I260 V269 A271 M277 W280 I281V243-F258 HydrophobicContact CG2-CD2 4.2Å; Q244-F258 CarbonylContact O-C 3.59Å; Q244-F258 VanDerWaalsContact O-CA 3.31Å; Q244-F258 WeakPolarHBondContact O-CA 3.49Å; Q244-F258 WeakPolarHBondContact O-CB 3.23Å; F258-I260 HydrophobicContact CD2-CG1 4.23Å; F258-I260 HydrophobicContact CE2-CD1 4.02Å; F258-I260 HydrophobicContact CE2-CG1 3.96Å; F258-V269 HydrophobicContact CD1-CB 4.12Å; F258-V269 HydrophobicContact CD1-CG1 4.4Å; F258-V269 WeakPolarHBondContact CD1-O 3.44Å; F258-V269 HydrophobicContact CD2-CB 4.35Å; F258-V269 HydrophobicContact CE1-CB 3.64Å; F258-V269 HydrophobicContact CE1-CG1 3.5Å; F258-V269 VanDerWaalsContact CE1-CG1 3.5Å; F258-V269 WeakPolarHBondContact CE1-O 3.26Å; F258-V269 HydrophobicContact CE2-CB 3.89Å; F258-V269 HydrophobicContact CE2-CG1 4.27Å; F258-V269 HydrophobicContact CE2-CG2 4.34Å; F258-V269 HydrophobicContact CG-CB 4.47Å; F258-V269 HydrophobicContact CZ-CB 3.52Å; F258-V269 HydrophobicContact CZ-CG1 3.43Å; F258-V269 VanDerWaalsContact CZ-CG1 3.43Å; F258-V269 HydrophobicContact CZ-CG2 4.28Å; F258-V269 PolarHBondContact N-O 2.78Å; F258-V269 PolarHBondContact O-N 3.27Å; F258-A271 HydrophobicContact CE1-CB 4.5Å; F258-M277 HydrophobicContact CB-CG 3.97Å; F258-M277 HydrophobicContact CB-SD 4.48Å; F258-M277 HydrophobicContact CD1-CG 3.95Å; F258-M277 HydrophobicContact CG-CG 4.37Å; F258-W280 HydrophobicContact CE1-CB 4.09Å; F258-W280 HydrophobicContact CE1-CG 4.41Å; F258-W280 HydrophobicContact CE2-CB 4.35Å; F258-W280 HydrophobicContact CZ-CB 3.82Å; F258-W280 HydrophobicContact CZ-CG 4.15Å; F258-I281 HydrophobicContact CB-CD1 3.78Å; F258-I281 HydrophobicContact CB-CG1 3.82Å; F258-I281 HydrophobicContact CD2-CG1 4.26Å; F258-I281 HydrophobicContact CG-CG1 4.14Å
259E97.1Very high91.8Very high23 Ų2338.1 Ų38.111%0.10721%0.209CC..EExtended strand (participates in β ladder)trans-122.7139.5178.864-177.8-16400111.4V243 Q244 V261 T266 F267 Y268V243-E259 WeakPolarHBondContact CA-O 3.18Å; Q244-E259 HydrophobicContact CG-CG 3.81Å; Q244-E259 PolarHBondContact N-O 3.26Å; Q244-E259 VanDerWaalsContact N-O 3.12Å; Q244-E259 PolarHBondContact NE2-OE1 3.42Å; Q244-E259 PolarHBondContact O-N 3.35Å; E259-V261 HydrophobicContact CG-CG2 4.36Å; E259-T266 HydrophobicContact CB-CG2 3.8Å; E259-F267 CarbonylContact C-O 3.58Å; E259-F267 VanDerWaalsContact CA-O 3.27Å; E259-F267 WeakPolarHBondContact CA-O 3.36Å; E259-Y268 HydrophobicContact CB-CD1 4.03Å; E259-Y268 HydrophobicContact CB-CE1 4.18Å; E259-Y268 WeakPolarHBondContact OE2-CE1 3.37Å
260I97.1Very high92.2Very high0 Ų037.4 Ų37.40%020%0.204CC..EExtended strand (participates in β ladder)trans-111.1109170-54.3168.1000106.6I220 V240 V243 F258 T262 T266 F267I220-I260 HydrophobicContact CD1-CD1 3.91Å; V240-I260 HydrophobicContact CB-CG2 4.48Å; V240-I260 HydrophobicContact CG1-CG2 3.7Å; V240-I260 HydrophobicContact CG2-CG2 3.94Å; V243-I260 HydrophobicContact CG2-CG1 4.13Å; F258-I260 HydrophobicContact CD2-CG1 4.23Å; F258-I260 HydrophobicContact CE2-CD1 4.02Å; F258-I260 HydrophobicContact CE2-CG1 3.96Å; I260-T262 HydrophobicContact CG2-CG2 4.35Å; I260-T266 WeakPolarHBondContact O-CA 3.39Å; I260-F267 HydrophobicContact CB-CB 4.28Å; I260-F267 PolarHBondContact N-O 2.72Å; I260-F267 PolarHBondContact O-N 3.15Å
261V96.5Very high92.8Very high35 Ų3533.2 Ų33.221%0.21218%0.181CC..EExtended strand (participates in β ladder)trans-91.3113.4-179.9-174.30000108.3H241 K242 E259 T266H241-V261 PolarHBondContact N-O 2.97Å; K242-V261 HydrophobicContact CB-CB 3.95Å; K242-V261 HydrophobicContact CB-CG2 4.1Å; K242-V261 PolarHBondContact N-O 3.37Å; K242-V261 PolarHBondContact O-N 3.35Å; E259-V261 HydrophobicContact CG-CG2 4.36Å; V261-T266 HydrophobicContact CG2-CG2 4.1Å
262T95.8Very high93Very high8 Ų830 Ų305%0.04917%0.166CC..EExtended strand (participates in β ladder)trans-105.2171.6170.878.10000111.2I235 E239 V240 I260 S264 R265 F267I235-T262 HydrophobicContact CG2-CG2 3.66Å; E239-T262 WeakPolarHBondContact O-CA 3.41Å; E239-T262 WeakPolarHBondContact O-CB 3.43Å; V240-T262 HydrophobicContact CG2-CG2 4.29Å; I260-T262 HydrophobicContact CG2-CG2 4.35Å; T262-S264 PolarHBondContact O-N 3.24Å; T262-S264 PolarHBondContact OG1-N 2.83Å; T262-S264 PolarHBondContact OG1-OG 2.79Å; T262-R265 PolarHBondContact N-O 3.21Å; T262-R265 PolarHBondContact OG1-N 3.21Å; T262-R265 VanDerWaalsContact OG1-N 3.15Å; T262-R265 PolarHBondContact OG1-O 3.22Å; T262-F267 HydrophobicContact CG2-CD2 4.06Å; T262-F267 HydrophobicContact CG2-CE2 3.79Å
263T92.1Very high93.2Very high100 Ų10029.6 Ų29.661%0.61317%0.166SC*.SBendtrans-54-37.4175.8-39.50000113E239 H241E239-T263 PolarHBondContact O-N 3.44Å; H241-T263 WeakPolarHBondContact NE2-CA 3.38Å; H241-T263 PolarHBondContact NE2-OG1 3.39Å; H241-T263 VanDerWaalsContact NE2-OG1 3.13Å
264S90.2Very high93.5Very high97 Ų9729.7 Ų29.768%0.67817%0.171SC*.SBendtrans-101.2-23.5-172.856.90000113.6T262T262-S264 PolarHBondContact O-N 3.24Å; T262-S264 PolarHBondContact OG1-N 2.83Å; T262-S264 PolarHBondContact OG1-OG 2.79Å
265R93.2Very high93.8Very high43 Ų4335.5 Ų35.516%0.16220%0.198CC..  trans-163.9145.5-171.5179.4171175.3-156.5-3.7113.4Q201 G202 A203 T262 F267Q201-R265 PolarHBondContact O-NH2 3.3Å; Q201-R265 VanDerWaalsContact O-NH2 3.12Å; G202-R265 VanDerWaalsContact C-NH2 3.34Å; G202-R265 PolarHBondContact O-NH2 2.92Å; A203-R265 VanDerWaalsContact CA-CZ 3.43Å; A203-R265 VanDerWaalsContact CA-NH2 3.3Å; T262-R265 PolarHBondContact N-O 3.21Å; T262-R265 PolarHBondContact OG1-N 3.21Å; T262-R265 VanDerWaalsContact OG1-N 3.15Å; T262-R265 PolarHBondContact OG1-O 3.22Å; R265-F267 HydrophobicContact CB-CE2 4.28Å; R265-F267 HydrophobicContact CG-CE2 4.38Å
266T95Very high94.1Very high43 Ų4337.3 Ų37.326%0.26421%0.206SC..EExtended strand (participates in β ladder)trans-88.3128.1162.4-53.20000111.5E259 I260 V261 Y268E259-T266 HydrophobicContact CB-CG2 3.8Å; I260-T266 WeakPolarHBondContact O-CA 3.39Å; V261-T266 HydrophobicContact CG2-CG2 4.1Å; T266-Y268 HydrophobicContact CG2-CE1 4.1Å; T266-Y268 HydrophobicContact CG2-CE2 4.1Å
267F95.9Very high94.3Very high5 Ų536 Ų362%0.02220%0.199CC..EExtended strand (participates in β ladder)trans-101.2115.4172.5-62.1-95.9000109.7Y222 I235 E259 I260 T262 R265 V269Y222-F267 HydrophobicContact CE1-CE1 4.27Å; I235-F267 HydrophobicContact CD1-CD1 4.23Å; I235-F267 HydrophobicContact CD1-CD2 3.85Å; I235-F267 HydrophobicContact CD1-CE1 3.93Å; I235-F267 HydrophobicContact CD1-CE2 3.53Å; I235-F267 HydrophobicContact CD1-CG 4.19Å; I235-F267 HydrophobicContact CD1-CZ 3.56Å; I235-F267 HydrophobicContact CG1-CE2 4.23Å; I235-F267 HydrophobicContact CG1-CZ 4.11Å; E259-F267 CarbonylContact C-O 3.58Å; E259-F267 VanDerWaalsContact CA-O 3.27Å; E259-F267 WeakPolarHBondContact CA-O 3.36Å; I260-F267 HydrophobicContact CB-CB 4.28Å; I260-F267 PolarHBondContact N-O 2.72Å; I260-F267 PolarHBondContact O-N 3.15Å; T262-F267 HydrophobicContact CG2-CD2 4.06Å; T262-F267 HydrophobicContact CG2-CE2 3.79Å; R265-F267 HydrophobicContact CB-CE2 4.28Å; R265-F267 HydrophobicContact CG-CE2 4.38Å; F267-V269 HydrophobicContact CB-CG2 4.42Å
268Y95.8Very high94.4Very high41 Ų4140.7 Ų40.716%0.16122%0.221CC..EExtended strand (participates in β ladder)trans-88.1125.6170.4-59.3-80000109.9K200 Q201 C246 Q248 M252 E259 T266K200-Y268 WeakPolarHBondContact CA-O 3.43Å; Q201-Y268 PolarHBondContact N-O 2.85Å; C246-Y268 VanDerWaalsContact SG-CE1 3.58Å; Q248-Y268 PolarHBondContact OE1-OH 2.95Å; M252-Y268 HydrophobicContact CE-CD2 4.23Å; M252-Y268 HydrophobicContact CE-CG 4.19Å; M252-Y268 HydrophobicContact SD-CD1 4.1Å; M252-Y268 HydrophobicContact SD-CE1 4.35Å; M252-Y268 HydrophobicContact SD-CG 4.25Å; E259-Y268 HydrophobicContact CB-CD1 4.03Å; E259-Y268 HydrophobicContact CB-CE1 4.18Å; E259-Y268 WeakPolarHBondContact OE2-CE1 3.37Å; T266-Y268 HydrophobicContact CG2-CE1 4.1Å; T266-Y268 HydrophobicContact CG2-CE2 4.1Å
269V95.4Very high94.5Very high0 Ų042.8 Ų42.80%024%0.235CC..EExtended strand (participates in β ladder)trans-134.1122.2-174.1-173.10000109C198 V199 K200 F213 L257 F258 F267C198-V269 HydrophobicContact CB-CG1 3.35Å; V199-V269 CarbonylContact O-C 3.57Å; V199-V269 WeakPolarHBondContact O-CA 3.41Å; K200-V269 HydrophobicContact CB-CG2 4.24Å; F213-V269 HydrophobicContact CE1-CG2 4.22Å; F213-V269 HydrophobicContact CE2-CG1 4.09Å; F213-V269 HydrophobicContact CZ-CG1 4Å; F213-V269 HydrophobicContact CZ-CG2 3.91Å; L257-V269 WeakPolarHBondContact CD1-O 3.22Å; F258-V269 HydrophobicContact CD1-CB 4.12Å; F258-V269 HydrophobicContact CD1-CG1 4.4Å; F258-V269 WeakPolarHBondContact CD1-O 3.44Å; F258-V269 HydrophobicContact CD2-CB 4.35Å; F258-V269 HydrophobicContact CE1-CB 3.64Å; F258-V269 HydrophobicContact CE1-CG1 3.5Å; F258-V269 VanDerWaalsContact CE1-CG1 3.5Å; F258-V269 WeakPolarHBondContact CE1-O 3.26Å; F258-V269 HydrophobicContact CE2-CB 3.89Å; F258-V269 HydrophobicContact CE2-CG1 4.27Å; F258-V269 HydrophobicContact CE2-CG2 4.34Å; F258-V269 HydrophobicContact CG-CB 4.47Å; F258-V269 HydrophobicContact CZ-CB 3.52Å; F258-V269 HydrophobicContact CZ-CG1 3.43Å; F258-V269 VanDerWaalsContact CZ-CG1 3.43Å; F258-V269 HydrophobicContact CZ-CG2 4.28Å; F258-V269 PolarHBondContact N-O 2.78Å; F258-V269 PolarHBondContact O-N 3.27Å; F267-V269 HydrophobicContact CB-CG2 4.42Å
270Q93.3Very high94.5Very high0 Ų041.8 Ų41.80%023%0.23CC..EExtended strand (participates in β ladder)trans-98.1126175.6169172.262.300109M43 C198 V199 W208 R254 D255 N256 L257M43-Q270 HydrophobicContact CE-CG 3.81Å; C198-Q270 WeakPolarHBondContact CB-O 3.45Å; V199-Q270 HydrophobicContact CB-CB 4.31Å; V199-Q270 PolarHBondContact N-O 3.32Å; V199-Q270 PolarHBondContact O-N 2.98Å; W208-Q270 HydrophobicContact CZ3-CB 4.35Å; R254-Q270 VanDerWaalsContact CD-OE1 3.27Å; D255-Q270 WeakPolarHBondContact O-CG 3.22Å; D255-Q270 PolarHBondContact O-NE2 2.9Å; D255-Q270 PolarHBondContact OD1-NE2 3.02Å; N256-Q270 WeakPolarHBondContact O-CA 3.28Å; L257-Q270 HydrophobicContact CD1-CB 3.95Å
271A93.1Very high94.6Very high0 Ų043 Ų430%024%0.237CC..  trans-90.4163.7172.500000111.2N256 F258 S273 E276 M277N256-A271 HydrophobicContact CB-CB 4.43Å; N256-A271 VanDerWaalsContact CB-O 3.3Å; N256-A271 WeakPolarHBondContact CB-O 3.34Å; N256-A271 PolarHBondContact O-N 2.7Å; F258-A271 HydrophobicContact CE1-CB 4.5Å; A271-S273 VanDerWaalsContact C-N 3.3Å; A271-S273 PolarHBondContact O-N 2.84Å; A271-E276 HydrophobicContact CB-CB 4.04Å; A271-M277 HydrophobicContact CB-CB 3.92Å
272D88.1Confident94.6Very high71 Ų7149.3 Ų49.338%0.3826%0.261SS..SBendtrans-74.3-22.7-178.8-68.3-13.1000112.7R210R210-D272 IonicContact CZ-OD1 3.29Å; R210-D272 IonicContact CZ-OD2 3.55Å; R210-D272 VanDerWaalsContact CZ-OD2 3.28Å; R210-D272 VanDerWaalsContact NH1-CG 3.34Å; R210-D272 IonicContact NH1-OD1 3.75Å; R210-D272 PolarHBondContact NH1-OD1 3.41Å; R210-D272 IonicContact NH1-OD2 2.76Å; R210-D272 PolarHBondContact NH1-OD2 2.92Å; R210-D272 IonicContact NH2-OD1 2.87Å; R210-D272 IonicContact NH2-OD2 3.25Å; R210-D272 PolarHBondContact NH2-OD2 3.42Å
273S89.9Confident94.7Very high30 Ų3049.8 Ų49.821%0.2127%0.266CS..SBendtrans-146.9160.5179.593.40000111.4N256 A271 E275 E276 M277N256-S273 VanDerWaalsContact CG-C 3.5Å; A271-S273 VanDerWaalsContact C-N 3.3Å; A271-S273 PolarHBondContact O-N 2.84Å; S273-E275 VanDerWaalsContact C-N 3.26Å; S273-E275 WeakPolarHBondContact CB-OE2 3.43Å; S273-E275 PolarHBondContact O-N 3.44Å; S273-E275 PolarHBondContact OG-N 3.35Å; S273-E275 PolarHBondContact OG-OE2 2.58Å; S273-E276 PolarHBondContact O-N 2.81Å; S273-E276 PolarHBondContact OG-N 3.01Å; S273-E276 VanDerWaalsContact OG-N 3.12Å; S273-M277 PolarHBondContact O-N 2.82Å
274P92.9Very high94.9Very high54 Ų5445 Ų4535%0.35124%0.237SC..Hα-helixtrans-64.1-33.4175.724.6-32000111.7N256 M277 H278N256-P274 WeakPolarHBondContact OD1-CA 3.49Å; N256-P274 WeakPolarHBondContact OD1-CD 3.41Å; P274-M277 PolarHBondContact O-N 2.89Å; P274-H278 PolarHBondContact O-N 2.94Å; P274-H278 PolarHBondContact O-ND1 2.79Å
275E94.9Very high95.2Very high127 Ų12742.5 Ų42.559%0.59322%0.219SC*.Hα-helixtrans-63.1-45.2174.9-56.473.3-156.900110.8S273 H278 S279S273-E275 VanDerWaalsContact C-N 3.26Å; S273-E275 WeakPolarHBondContact CB-OE2 3.43Å; S273-E275 PolarHBondContact O-N 3.44Å; S273-E275 PolarHBondContact OG-N 3.35Å; S273-E275 PolarHBondContact OG-OE2 2.58Å; E275-H278 PolarHBondContact O-N 3.41Å; E275-S279 WeakPolarHBondContact O-CB 3.45Å; E275-S279 PolarHBondContact O-N 3.38Å
276E95.3Very high95.3Very high72 Ų7242.4 Ų42.434%0.33623%0.232SC..Hα-helixtrans-65-40.3176.9-82.1-61.2103.200111.9K194 A271 S273 S279 W280K194-E276 IonicContact NZ-OE1 3.28Å; K194-E276 PolarHBondContact NZ-OE1 3.42Å; K194-E276 VanDerWaalsContact NZ-OE1 3.13Å; K194-E276 IonicContact NZ-OE2 3.76Å; K194-E276 PolarHBondContact NZ-OE2 2.85Å; A271-E276 HydrophobicContact CB-CB 4.04Å; S273-E276 PolarHBondContact O-N 2.81Å; S273-E276 PolarHBondContact OG-N 3.01Å; S273-E276 VanDerWaalsContact OG-N 3.12Å; E276-S279 WeakPolarHBondContact O-CB 3.08Å; E276-S279 PolarHBondContact O-N 2.97Å; E276-W280 PolarHBondContact O-N 2.81Å
277M96.8Very high95.3Very high4 Ų440.6 Ų40.62%0.0222%0.221CC..Hα-helixtrans-56.4-53.5174.2-179.6-175.571.200111.4E245 N256 L257 F258 A271 S273 P274 S279 W280 I281E245-M277 HydrophobicContact CG-CE 3.95Å; E245-M277 HydrophobicContact CG-SD 4.1Å; N256-M277 VanDerWaalsContact CA-SD 3.6Å; N256-M277 HydrophobicContact CB-CB 4.39Å; L257-M277 PolarHBondContact N-SD 3.17Å; L257-M277 VanDerWaalsContact N-SD 3.45Å; F258-M277 HydrophobicContact CB-CG 3.97Å; F258-M277 HydrophobicContact CB-SD 4.48Å; F258-M277 HydrophobicContact CD1-CG 3.95Å; F258-M277 HydrophobicContact CG-CG 4.37Å; A271-M277 HydrophobicContact CB-CB 3.92Å; S273-M277 PolarHBondContact O-N 2.82Å; P274-M277 PolarHBondContact O-N 2.89Å; M277-S279 VanDerWaalsContact C-N 3.32Å; M277-S279 PolarHBondContact O-N 3.27Å; M277-W280 PolarHBondContact O-N 3.16Å; M277-I281 HydrophobicContact CG-CD1 3.97Å; M277-I281 WeakPolarHBondContact O-CG1 3.29Å; M277-I281 PolarHBondContact O-N 3.22Å
278H97.8Very high95.2Very high100 Ų10041.2 Ų41.246%0.46322%0.224SC..Hα-helixtrans-65.6-36.4179.9-66.2111.3000112.1P274 E275 I281 K282P274-H278 PolarHBondContact O-N 2.94Å; P274-H278 PolarHBondContact O-ND1 2.79Å; E275-H278 PolarHBondContact O-N 3.41Å; H278-I281 PolarHBondContact O-N 3.07Å; H278-K282 VanDerWaalsContact O-CB 3.25Å; H278-K282 WeakPolarHBondContact O-CB 3.29Å; H278-K282 PolarHBondContact O-N 3.32Å
279S97.8Very high95.1Very high46 Ų4644 Ų4432%0.32225%0.246SC..Hα-helixtrans-60.3-45.7174.6-174.40000111.4K194 E275 E276 M277 K282 A283K194-S279 PolarHBondContact NZ-OG 3.44Å; K194-S279 VanDerWaalsContact NZ-OG 3.13Å; E275-S279 WeakPolarHBondContact O-CB 3.45Å; E275-S279 PolarHBondContact O-N 3.38Å; E276-S279 WeakPolarHBondContact O-CB 3.08Å; E276-S279 PolarHBondContact O-N 2.97Å; M277-S279 VanDerWaalsContact C-N 3.32Å; M277-S279 PolarHBondContact O-N 3.27Å; S279-K282 PolarHBondContact O-N 2.86Å; S279-A283 VanDerWaalsContact O-CB 3.31Å; S279-A283 WeakPolarHBondContact O-CB 3.18Å; S279-A283 PolarHBondContact O-N 3.44Å
280W98Very high94.9Very high1 Ų147.6 Ų47.60%0.00428%0.275CS..Hα-helixtrans-62.5-48.9174-83.4111.4000112.6K194 C198 F213 L215 I220 F258 E276 M277 K282 A283 V284K194-W280 HydrophobicContact CB-CE3 4.49Å; K194-W280 HydrophobicContact CB-CH2 4.3Å; K194-W280 HydrophobicContact CB-CZ3 4.08Å; K194-W280 HydrophobicContact CD-CD2 3.73Å; K194-W280 HydrophobicContact CD-CE3 3.83Å; K194-W280 HydrophobicContact CD-CG 4.18Å; K194-W280 HydrophobicContact CD-CH2 4.39Å; K194-W280 HydrophobicContact CD-CZ2 4.3Å; K194-W280 HydrophobicContact CD-CZ3 4.17Å; K194-W280 VanDerWaalsContact CE-CD1 3.48Å; K194-W280 VanDerWaalsContact CE-NE1 3.32Å; K194-W280 HydrophobicContact CG-CD2 4.32Å; K194-W280 HydrophobicContact CG-CE3 4.18Å; K194-W280 HydrophobicContact CG-CH2 3.92Å; K194-W280 HydrophobicContact CG-CZ2 4.05Å; K194-W280 HydrophobicContact CG-CZ3 3.98Å; C198-W280 PolarHBondContact SG-NE1 3.4Å; F213-W280 HydrophobicContact CB-CH2 3.61Å; F213-W280 HydrophobicContact CB-CZ2 3.95Å; F213-W280 HydrophobicContact CB-CZ3 4.21Å; L215-W280 HydrophobicContact CB-CZ3 3.98Å; I220-W280 HydrophobicContact CD1-CZ3 4.48Å; F258-W280 HydrophobicContact CE1-CB 4.09Å; F258-W280 HydrophobicContact CE1-CG 4.41Å; F258-W280 HydrophobicContact CE2-CB 4.35Å; F258-W280 HydrophobicContact CZ-CB 3.82Å; F258-W280 HydrophobicContact CZ-CG 4.15Å; E276-W280 PolarHBondContact O-N 2.81Å; M277-W280 PolarHBondContact O-N 3.16Å; W280-K282 VanDerWaalsContact C-N 3.29Å; W280-K282 PolarHBondContact O-N 3.21Å; W280-A283 PolarHBondContact O-N 3.05Å; W280-V284 VanDerWaalsContact O-CG2 3.31Å; W280-V284 WeakPolarHBondContact O-CG2 3.47Å; W280-V284 PolarHBondContact O-N 3.4Å
281I97.8Very high94.5Very high25 Ų2550.4 Ų50.413%0.12829%0.289CS..Hα-helixtrans-57-45.9177.8-67.1164.8000110.5V243 E245 F258 M277 H278 S285V243-I281 HydrophobicContact CG2-CB 4.46Å; V243-I281 HydrophobicContact CG2-CG1 4.23Å; V243-I281 HydrophobicContact CG2-CG2 4.45Å; E245-I281 HydrophobicContact CB-CD1 4.42Å; F258-I281 HydrophobicContact CB-CD1 3.78Å; F258-I281 HydrophobicContact CB-CG1 3.82Å; F258-I281 HydrophobicContact CD2-CG1 4.26Å; F258-I281 HydrophobicContact CG-CG1 4.14Å; M277-I281 HydrophobicContact CG-CD1 3.97Å; M277-I281 WeakPolarHBondContact O-CG1 3.29Å; M277-I281 PolarHBondContact O-N 3.22Å; H278-I281 PolarHBondContact O-N 3.07Å; I281-S285 VanDerWaalsContact O-CB 3.26Å; I281-S285 WeakPolarHBondContact O-CB 3.47Å; I281-S285 PolarHBondContact O-N 3.01Å; I281-S285 PolarHBondContact O-OG 3.37Å
282K97.4Very high94Very high168 Ų16859.5 Ų59.573%0.7332%0.323SS*.Hα-helixtrans-64.2-46.3179.5-176.7-179.8178.2-177.20111.8H278 S279 W280 S285 G286H278-K282 VanDerWaalsContact O-CB 3.25Å; H278-K282 WeakPolarHBondContact O-CB 3.29Å; H278-K282 PolarHBondContact O-N 3.32Å; S279-K282 PolarHBondContact O-N 2.86Å; W280-K282 VanDerWaalsContact C-N 3.29Å; W280-K282 PolarHBondContact O-N 3.21Å; K282-S285 PolarHBondContact O-N 2.95Å; K282-G286 PolarHBondContact O-N 2.97Å
283A97.3Very high92.9Very high19 Ų1957.9 Ų57.916%0.15732%0.323CS..Hα-helixtrans-62.3-48-179.400000111.4I193 K194 L215 S279 W280 G286 A287I193-A283 HydrophobicContact CG2-CB 4.43Å; K194-A283 HydrophobicContact CB-CB 4.17Å; K194-A283 HydrophobicContact CD-CB 4.06Å; L215-A283 VanDerWaalsContact CD2-C 3.4Å; L215-A283 HydrophobicContact CD2-CB 3.63Å; S279-A283 VanDerWaalsContact O-CB 3.31Å; S279-A283 WeakPolarHBondContact O-CB 3.18Å; S279-A283 PolarHBondContact O-N 3.44Å; W280-A283 PolarHBondContact O-N 3.05Å; A283-G286 PolarHBondContact O-N 3.34Å; A283-A287 WeakPolarHBondContact O-CB 3.44Å; A283-A287 PolarHBondContact O-N 3.36Å
284V97.1Very high91.4Very high0 Ų062.8 Ų62.80%035%0.354CS..Hα-helixtrans-63.9-44.9178.6177.60000110.9L215 I220 L237 V243 W280 G286 A287 I288L215-V284 HydrophobicContact CD1-CG2 4.21Å; L215-V284 HydrophobicContact CD2-CB 4.47Å; L215-V284 HydrophobicContact CD2-CG2 3.93Å; I220-V284 HydrophobicContact CD1-CG2 3.81Å; L237-V284 HydrophobicContact CD2-CG1 4.29Å; V243-V284 HydrophobicContact CB-CB 4.48Å; V243-V284 HydrophobicContact CB-CG1 4.06Å; V243-V284 HydrophobicContact CG1-CB 4.08Å; V243-V284 HydrophobicContact CG1-CG1 3.86Å; V243-V284 HydrophobicContact CG2-CB 4.26Å; V243-V284 HydrophobicContact CG2-CG1 4.23Å; W280-V284 VanDerWaalsContact O-CG2 3.31Å; W280-V284 WeakPolarHBondContact O-CG2 3.47Å; W280-V284 PolarHBondContact O-N 3.4Å; V284-G286 PolarHBondContact O-N 2.93Å; V284-A287 PolarHBondContact O-N 3.11Å; V284-I288 HydrophobicContact CG1-CD1 3.93Å; V284-I288 VanDerWaalsContact O-CG1 3.3Å; V284-I288 WeakPolarHBondContact O-CG1 3.38Å; V284-I288 PolarHBondContact O-N 3Å
285S96.5Very high89.4Confident43 Ų4363.2 Ų63.230%0.30137%0.369SS..Hα-helixtrans-60.7-44.6176.7-59.90000111.8V243 I281 K282 I288 V289V243-S285 WeakPolarHBondContact CG1-OG 3.33Å; I281-S285 VanDerWaalsContact O-CB 3.26Å; I281-S285 WeakPolarHBondContact O-CB 3.47Å; I281-S285 PolarHBondContact O-N 3.01Å; I281-S285 PolarHBondContact O-OG 3.37Å; K282-S285 PolarHBondContact O-N 2.95Å; S285-I288 PolarHBondContact O-N 2.97Å; S285-V289 WeakPolarHBondContact O-CG2 3.42Å; S285-V289 PolarHBondContact O-N 3.12Å
286G95.6Very high87.3Confident41 Ų4169.3 Ų69.342%0.42339%0.386SS..Hα-helixtrans-60.9-44.5178.100000112.3K282 A283 V284 V289 A290K282-G286 PolarHBondContact O-N 2.97Å; A283-G286 PolarHBondContact O-N 3.34Å; V284-G286 PolarHBondContact O-N 2.93Å; G286-V289 PolarHBondContact O-N 2.85Å; G286-A290 WeakPolarHBondContact O-CB 3.48Å; G286-A290 PolarHBondContact O-N 3.18Å
287A95.1Very high85.1Confident5 Ų571.2 Ų71.24%0.04141%0.407CS..Hα-helixtrans-63.5-41.3176.700000112.2I193 L215 L237 A283 V284 V289 A290 Q291I193-A287 HydrophobicContact CD1-CB 3.82Å; L215-A287 HydrophobicContact CD1-CB 4.29Å; L215-A287 HydrophobicContact CD2-CB 4.43Å; L237-A287 HydrophobicContact CD1-CB 3.46Å; L237-A287 VanDerWaalsContact CD1-CB 3.46Å; A283-A287 WeakPolarHBondContact O-CB 3.44Å; A283-A287 PolarHBondContact O-N 3.36Å; V284-A287 PolarHBondContact O-N 3.11Å; A287-V289 PolarHBondContact O-N 2.71Å; A287-A290 PolarHBondContact O-N 2.93Å; A287-Q291 WeakPolarHBondContact O-CG 3.14Å; A287-Q291 PolarHBondContact O-N 3.3Å; A287-Q291 VanDerWaalsContact O-N 3.17Å
288I94.2Very high82.5Confident18 Ų1875.3 Ų75.39%0.09244%0.442CS..Hα-helixtrans-61.7-42.1174.8-67.6163.5000111.5L237 V240 V284 S285L237-I288 HydrophobicContact CB-CG1 4.07Å; L237-I288 HydrophobicContact CD2-CG1 4.39Å; V240-I288 HydrophobicContact CB-CD1 3.86Å; V240-I288 HydrophobicContact CG1-CD1 3.57Å; V284-I288 HydrophobicContact CG1-CD1 3.93Å; V284-I288 VanDerWaalsContact O-CG1 3.3Å; V284-I288 WeakPolarHBondContact O-CG1 3.38Å; V284-I288 PolarHBondContact O-N 3Å; S285-I288 PolarHBondContact O-N 2.97Å
289V93.4Very high79.8Confident100 Ų10076.4 Ų76.461%0.60646%0.456SS*.Hα-helixtrans-67.3-43.4178.1171.90000111S285 G286 A287 Q291 R292 G293S285-V289 WeakPolarHBondContact O-CG2 3.42Å; S285-V289 PolarHBondContact O-N 3.12Å; G286-V289 PolarHBondContact O-N 2.85Å; A287-V289 PolarHBondContact O-N 2.71Å; V289-Q291 VanDerWaalsContact C-N 3.25Å; V289-Q291 PolarHBondContact O-N 2.93Å; V289-R292 PolarHBondContact O-N 2.85Å; V289-G293 PolarHBondContact O-N 2.97Å
290A89.9Confident77.1Confident76 Ų7678.9 Ų78.963%0.62847%0.473SS*.Hα-helixtrans-58.5-36.4178.500000112.4G286 A287 R292 G293G286-A290 WeakPolarHBondContact O-CB 3.48Å; G286-A290 PolarHBondContact O-N 3.18Å; A287-A290 PolarHBondContact O-N 2.93Å; A290-R292 VanDerWaalsContact C-N 3.27Å; A290-R292 PolarHBondContact O-N 3.39Å; A290-G293 PolarHBondContact O-N 3.37Å
291Q86.1Confident74.3Confident59 Ų5987.7 Ų87.728%0.27652%0.515SS..Hα-helixtrans-64.9-27175.1-73-171.87.500114.5E217 N218 A287 V289 G293E217-Q291 PolarHBondContact O-NE2 2.85Å; N218-Q291 PolarHBondContact O-NE2 3Å; A287-Q291 WeakPolarHBondContact O-CG 3.14Å; A287-Q291 PolarHBondContact O-N 3.3Å; A287-Q291 VanDerWaalsContact O-N 3.17Å; V289-Q291 VanDerWaalsContact C-N 3.25Å; V289-Q291 PolarHBondContact O-N 2.93Å; Q291-G293 VanDerWaalsContact C-N 3.34Å
292R81.7Confident71.8Confident190 Ų19094.2 Ų94.272%0.71754%0.544SS*.Hα-helixtrans-86-10.2-177.8-65.2-179.2-177.9-178.72.1112.6V289 A290V289-R292 PolarHBondContact O-N 2.85Å; A290-R292 VanDerWaalsContact C-N 3.27Å; A290-R292 PolarHBondContact O-N 3.39Å
293G64.5Low69.3Low37 Ų3791.4 Ų91.438%0.38154%0.543SS..  trans66.8161.818000000113.8V289 A290 Q291 G295V289-G293 PolarHBondContact O-N 2.97Å; A290-G293 PolarHBondContact O-N 3.37Å; Q291-G293 VanDerWaalsContact C-N 3.34Å; G293-G295 PolarHBondContact O-N 3.08Å
294P60Low66.7Low133 Ų13396.5 Ų96.586%0.86458%0.575SS**SBendtrans-59.4124.5161.5-11.726.3000107.1R296P294-R296 PolarHBondContact O-N 3.26Å
295G49.3Very low63.7Low64 Ų6499.5 Ų99.566%0.6661%0.606SS**  trans-46.2132.9-176.600000111.7G293 S297G293-G295 PolarHBondContact O-N 3.08Å; G295-S297 PolarHBondContact O-N 3.36Å
296R52.5Low61.4Low254 Ų254103.6 Ų103.696%0.95863%0.631SS**  trans-64.475162.1-72.4179.5164.2-162.2-3.9108.6P294P294-R296 PolarHBondContact O-N 3.26Å
297S47.9Very low58.7Low112 Ų112107.5 Ų107.578%0.78365%0.652SS**  trans-96.955.6158.7-57.40000107.7G295 T299G295-S297 PolarHBondContact O-N 3.36Å; S297-T299 VanDerWaalsContact C-N 3.31Å
298A42.1Very low55.9Low90 Ų90116.1 Ų116.174%0.74469%0.691SS**  trans-99.169.3160.200000106.2S300A298-S300 PolarHBondContact O-N 2.93Å; A298-S300 VanDerWaalsContact O-N 3.08Å
299T40.8Very low53.1Low124 Ų124120.1 Ų120.176%0.76172%0.721SS**  trans-61.8109.2156.7-29.80000104.6S297 E301S297-T299 VanDerWaalsContact C-N 3.31Å; T299-E301 VanDerWaalsContact C-N 3.3Å; T299-E301 PolarHBondContact O-N 3.18Å
300S42.5Very low50.4Low98 Ų98124.1 Ų124.169%0.68573%0.73SS**  trans-58.996.3170.5179.10000107.3A298 H302A298-S300 PolarHBondContact O-N 2.93Å; A298-S300 VanDerWaalsContact O-N 3.08Å; S300-H302 PolarHBondContact O-N 3.09Å
301E38.5Very low47.7Very low186 Ų186128.1 Ų128.187%0.86974%0.735SS**  trans-71.991.4162.9-71-155.5146.900107T299T299-E301 VanDerWaalsContact C-N 3.3Å; T299-E301 PolarHBondContact O-N 3.18Å
302H44.8Very low45.4Very low161 Ų161128.8 Ų128.875%0.74575%0.751SS**PPolyproline II helixtrans-61.8127.7159.5-116.3-80.1000108.2S300S300-H302 PolarHBondContact O-N 3.09Å
303P44.8Very low43.1Very low109 Ų109129.9 Ų129.971%0.70876%0.761SS**PPolyproline II helixtrans-73.6133173.828.4-30.1000109.4
304P43.4Very low41.6Very low127 Ų127138.8 Ų138.883%0.82578%0.783SS**PPolyproline II helixtrans-78127.8169.330.4-28.3000109.3
305G34Very low41Very low63 Ų63138.1 Ų138.165%0.64978%0.779SS**PPolyproline II helixtrans-68.1166.4170.600000112.6
306P48.6Very low40.4Very low129 Ų129138.6 Ų138.684%0.83878%0.777SS**PPolyproline II helixtrans-87.5144.1-167.134.2-31.2000111.9
307S38.7Very low39.7Very low122 Ų122133.7 Ų133.785%0.85377%0.77SS**  trans-147.4109.3166.1-50.30000109.9
308E35.5Very low39.2Very low186 Ų186132.8 Ų132.887%0.86977%0.769SS**  trans-65.9145.3163.2-60.1176.4132.400108.4
309S36Very low39Very low102 Ų102132.8 Ų132.871%0.71377%0.769SS**  173.2131.976.3-55.60000111.4
310K37.4Very low38.8Very low184 Ų184131.1 Ų131.180%0.877%0.767SS**  59.1129.7128.3-70.5-175.7179.8-178.20125.2
311H33.2Very low38.4Very low161 Ų161132.2 Ų132.275%0.74577%0.77SS**  trans90.8103.6138.4-70.9-53.8000122.4
312A36.8Very low38.3Very low73 Ų73128.8 Ų128.860%0.60376%0.762SS**  30.3133.3124.900000120.6
313F33.5Very low38Very low212 Ų212125.4 Ų125.493%0.9376%0.756SS**  -175.7140.1106.3-89.7-70.6000111.1
314R33.1Very low37.8Very low224 Ų224128 Ų12885%0.84576%0.759SS**  trans-89.7166.7168.9-135.5-174.6173-175.4-2.4108.3
315P48.2Very low37.4Very low120 Ų120126.7 Ų126.778%0.77975%0.753SS**  -147.8151.469.334.3-11.4000115.3
316A35.6Very low37.3Very low73 Ų73130.3 Ų130.360%0.60376%0.763SS**  74.2134.7106.200000114.3
317N38.5Very low36.6Very low152 Ų152128.7 Ų128.781%0.81376%0.76SS**  cis-163139.432.7-113.7-6.8000109.6
318A36.8Very low36.3Very low93 Ų93127.5 Ų127.577%0.76975%0.752SS**  87.2140.7104.400000113.2
319A37.8Very low36.2Very low89 Ų89130.3 Ų130.374%0.73675%0.754SS**  cis-153.1142.218.400000109.1
320A36.3Very low36.1Very low89 Ų89130.8 Ų130.874%0.73676%0.758SS**  76.6132.910700000113.1
321T34.9Very low35.9Very low122 Ų122129.6 Ų129.675%0.74876%0.76SS**  -159.9132.152.1-12.40000111.9
322T37.5Very low35.8Very low113 Ų113126.9 Ų126.969%0.69376%0.759SS**  trans52.3114.3135.847.80000121.2
323S38Very low35.8Very low90 Ų90130.9 Ų130.963%0.62977%0.77SS**  91.7141.967.4-720000111.8
324H40.7Very low35.6Very low163 Ų163127.3 Ų127.376%0.75577%0.765SS**  cis-153.5130.411.4-88.5-59.2000106.7
325S33.5Very low35.5Very low100 Ų100121.7 Ų121.770%0.69976%0.76SS**  66.5120.197.5-56.40000117.1
326T32.8Very low34.6Very low140 Ų140119.9 Ų119.986%0.85976%0.755SS**  -177.6135.4106.830.90000112
327A33.4Very low34.4Very low95 Ų95126 Ų12679%0.78577%0.769SS**  trans46.9142.2145.900000120.4
328S33Very low33.9Very low97 Ų97124.7 Ų124.768%0.67877%0.766SS**  cis178.8147.63.950.70000107.7
329R34.1Very low33.7Very low244 Ų244129.7 Ų129.792%0.92178%0.776SS**  trans58.9145.1149.2-69.4177.4163.6-175.6-5.6116.9
330S34Very low33.3Very low112 Ų112135.1 Ų135.178%0.78379%0.786SS**  cis-174.9157.917.728.60000109.3
331N31.7Very low33.2Very low159 Ų159141 Ų14185%0.8580%0.795SS**  trans-14.7145.2162.5-77.4-6.8000121.4
332S31.8Very low33Very low104 Ų104146.7 Ų146.773%0.72780%0.803SS**  125.5115.9119.7-165.20000116.2
333L36.4Very low32.6Very low158 Ų158144.7 Ų144.783%0.82781%0.805SS**  trans7.3128136.5-57.1169.2000117.8
334V30Very low32.3Very low137 Ų137150.7 Ų150.783%0.8382%0.82SS**  162.9116.6116.1173.90000106.4
335S29.7Very low31.8Very low105 Ų105153.8 Ų153.873%0.73483%0.827SS**  trans-115101.6169.6-156.10000108.8
336A31.2Very low31.6Very low83 Ų83156.8 Ų156.869%0.68683%0.83SS**  trans-90.7122.8164.700000107.7
337F29.5Very low31.5Very low201 Ų201155.9 Ų155.988%0.88283%0.829SS**  trans-84.1116.6173.1-85.5-85.8000109.9
338T29.2Very low31.5Very low125 Ų125158.1 Ų158.177%0.76783%0.827SS**  trans-112.5129.7163.247.10000110.3
339M32.2Very low31.6Very low197 Ų197158.5 Ų158.597%0.9784%0.836SS**  trans1.3120154.8-94.4165.9142.400118.1
340E29.5Very low31.6Very low203 Ų203156.1 Ų156.195%0.94983%0.833SS**  trans-103.4125.7157.4-82.4-167133.300111.4
341K33.4Very low31.6Very low212 Ų212158 Ų15892%0.92284%0.839SS**  trans-105.2109.7172.9-161.8-176.1-169.8-177.40105.9G343K341-G343 PolarHBondContact O-N 3.47Å
342R30.8Very low31.8Very low242 Ų242159.8 Ų159.891%0.91384%0.839SS**  trans-87.2111.6-177.2-153.6171.9-167.4167.93.7110.4
343G29Very low31.9Very low72 Ų72161.1 Ų161.174%0.74285%0.845SS**PPolyproline II helixtrans-72.4145170.500000112K341K341-G343 PolarHBondContact O-N 3.47Å
344F32Very low31.5Very low216 Ų216156.8 Ų156.895%0.94784%0.839SS**PPolyproline II helixtrans-80.9135.3171.2-87.4-98.7000110
345Y30.3Very low31.7Very low227 Ų227157.4 Ų157.489%0.8984%0.838SS**PPolyproline II helixtrans-88.8127.5174.6-160.3-96.9000109.7
346E30.2Very low32.1Very low164 Ų164161.9 Ų161.977%0.76684%0.844SS**PPolyproline II helixtrans-76.2132.8173.9-171.6175.4172.200109.5
347S31Very low32.2Very low121 Ų121167.1 Ų167.185%0.84685%0.852SS**  trans-124.1123.7169.8-160.10000109.9
348L32.6Very low32.4Very low142 Ų142163.9 Ų163.974%0.74385%0.848SS**  trans-102.6117.2-167.5-163.2138.2000108.4
349A36Very low32.4Very low105 Ų105166.4 Ų166.487%0.86885%0.851SS**  trans-133.6119.5166.100000109.4
350K33.7Very low32.4Very low193 Ų193162.5 Ų162.584%0.83984%0.839SS**  trans-123.7112.7-175.7-166.8172.5-172.3173.60108
351V33.6Very low32.6Very low153 Ų153159.1 Ų159.193%0.92783%0.831SS**  trans-140.7148162.5-177.70000109.5
352K35.3Very low32.9Very low195 Ų195153.8 Ų153.885%0.84882%0.821SS**PPolyproline II helixtrans-70.2166-150-81.4176.5176.2177.80118.7
353P34.7Very low33.4Very low132 Ų132148.3 Ų148.386%0.85782%0.817SS**PPolyproline II helixtrans-84.7136.1-171.934-32.4000113.1
354G28.7Very low33.6Very low67 Ų67157 Ų15769%0.69183%0.827SS**PPolyproline II helixtrans-101.8129.617400000111.7
355N34Very low34Very low150 Ų150155.6 Ų155.680%0.80282%0.824SS**PPolyproline II helixtrans-70.1119.2-171.7-151.516.1000112
356F36.6Very low35.1Very low199 Ų199150.2 Ų150.287%0.87382%0.816SS**  trans-113.4112.3166-87.5-84.9000110
357K33.4Very low35Very low194 Ų194146.8 Ų146.884%0.84382%0.816SS**  trans-71.5127.8173-76.2-176.6173.8-177.90109.8
358V34.3Very low35.1Very low132 Ų132145.9 Ų145.980%0.881%0.809SS**  trans-66.6126.8166.4174.80000108.8
359Q30.2Very low35.1Very low178 Ų178148.4 Ų148.483%0.83282%0.815SS**  trans-112.7104.6165.6-166.5166.424.900109.3
360T30.9Very low34.8Very low116 Ų116150.3 Ų150.371%0.71282%0.815SS**  trans-72128.2170-57.50000109.5
361V34.1Very low34.7Very low131 Ų131147.8 Ų147.879%0.79482%0.816SS**  trans-126.7124.6165.2-174.80000108.3
362S39Very low34.6Very low101 Ų101147.9 Ų147.971%0.70681%0.806SS**  trans-71.8157.9-176.9-73.70000113.9
363P40.9Very low34.4Very low127 Ų127146.6 Ų146.683%0.82580%0.803SS**  trans-79.8148.9-177.233.4-33.8000112
364R34.5Very low34.1Very low253 Ų253144.7 Ų144.796%0.95580%0.798SS**  trans-123.4122.3167.9-121.3-179.2-179168.50.2109.2
365E39.2Very low34.2Very low188 Ų188148.8 Ų148.888%0.87980%0.804SS**  trans-87.8169.4172.5-100.2-16014100112.2
366P53.7Low34.2Very low114 Ų114148.9 Ų148.974%0.7480%0.803SS**  trans-104.6168-147.940.1-34.6000114.4
367A29.7Very low34.1Very low91 Ų91148.7 Ų148.775%0.75280%0.802SS**  162.5133.812900000112.6
368S33Very low34.5Very low102 Ų102144.6 Ų144.671%0.71380%0.796SS**  136.1112.6122.8-63.50000116
369K32.1Very low34.4Very low196 Ų196147.1 Ų147.185%0.85280%0.798SS**  54.7115.7129.2-58.1-175.8179.4-173.80119.4
370V29.6Very low34.4Very low144 Ų144142.7 Ų142.787%0.87379%0.787SS**  -151.1109.6121.5-178.90000108.7
371T30.6Very low34.5Very low140 Ų140145.6 Ų145.686%0.85979%0.79SS**  trans-144.3113.6157.2-51.40000106.4
372E32.3Very low34.4Very low156 Ų156146.4 Ų146.473%0.72979%0.79SS**  trans-167.1129.6142.6-107.5-162.8125.500112.3
373Q30.3Very low33.9Very low168 Ų168145 Ų14579%0.78579%0.791SS**  trans66.1115.5142.7-59.3-169.79.300122.4
374A30Very low34.7Very low91 Ų91144.9 Ų144.975%0.75279%0.791SS**  -171.8114.9111.500000108.8
375L30.4Very low34.5Very low153 Ų153141.9 Ų141.980%0.80179%0.788SS**  62.1115.199.2-128.881.7000111.5
376L32.6Very low34.4Very low152 Ų152141.6 Ų141.680%0.79679%0.786SS**  -171142.956.5-82156.9000110.5
377K35.4Very low33.5Very low196 Ų196146 Ų14685%0.85279%0.794SS**  trans-91154.3147-109.5-179.1-177.1178.70106.8
378P42.5Very low33.6Very low108 Ų108148.1 Ų148.170%0.70179%0.792SS**  -147.3148.488.839.4-21.4000114.4
379Q30.7Very low33.6Very low184 Ų184149.2 Ų149.286%0.8680%0.799SS**  64.2140.3118.2-73.7-167.7-6.300115.5
380S30.3Very low33.6Very low85 Ų85146 Ų14659%0.59479%0.791SS**  cis171.4160.513.7152.10000107.4
381K34.1Very low33.8Very low177 Ų177146 Ų14677%0.7779%0.785SS**  trans93.6125.2146.4-88.9160.5-168-170.90121.9
382N32.1Very low34.2Very low148 Ų148146.5 Ų146.579%0.79179%0.788SS**  trans89.2112.2139.9-57.5-14.6000119.5
383G28.3Very low34.4Very low71 Ų71145.4 Ų145.473%0.73279%0.787SS**  trans-89.7-155.1146.700000110.3
384P56.8Low35.1Very low126 Ų126145.4 Ų145.482%0.81879%0.791SS**  cis-123.4167.9-26.638.1-23.9000111.6
385Q31.6Very low35.4Very low190 Ų190148.2 Ų148.289%0.88879%0.794SS**  trans-165.9130.6148-125.2175.7-4.500114.2
386E36.5Very low35.8Very low182 Ų182148.3 Ų148.385%0.8580%0.795SS**  trans-57.1149.5161.8-63.3167126.900111.7
387K33.8Very low36.1Very low206 Ų206144.5 Ų144.590%0.89679%0.786SS**  trans-146.3114.2147.4-97.3-174.1-176.9179.80110.6
388D32.8Very low36.3Very low135 Ų135140.7 Ų140.772%0.72278%0.783SS**  trans-65.3153.2157.4-161.44000111.1
389C32Very low36.5Very low126 Ų126143.1 Ų143.185%0.85179%0.79SS**  trans17782.3158.6-102.50000109.9
390D32.3Very low37.5Very low129 Ų129140.4 Ų140.469%0.6979%0.788SS**  35.2135.7119.1-85.1-34.5000123.3
391L33.6Very low38.4Very low144 Ų144142.3 Ų142.375%0.75480%0.796SS**  trans65.2115.5139.6-112.583.5000120.8
392V39.7Very low39.1Very low150 Ų150138.5 Ų138.591%0.90979%0.791SS**  -149.2119.1117.2-91.10000110
393D37Very low39.8Very low133 Ų133138.8 Ų138.871%0.71179%0.793SS**  trans-89.3131.9172-161.55.4000107.9
394L43.8Very low40.7Very low168 Ų168145.8 Ų145.888%0.8882%0.821SS**  trans-150.987.3165.9-79.4-178.5000109.1
395D37.7Very low39.9Very low150 Ų150146.8 Ų146.880%0.80282%0.821SS**  trans-59.5133.7139.2-95-40.1000108.7
396D37.6Very low40.3Very low155 Ų155144.5 Ų144.583%0.82982%0.818SS**  -179.3123.8119.3-161.239.2000112.5
397A39.8Very low40.5Very low72 Ų72142.4 Ų142.460%0.59582%0.816SS**  trans36.6139.3143.100000124.5
398S38.8Very low40.9Very low115 Ų115138.7 Ų138.780%0.80481%0.811SS**  trans114.7106.2132.5-53.60000117.2
399L46.8Very low41.5Very low160 Ų160138.9 Ų138.984%0.83882%0.817SS**  trans-57.2159.8152.1-63.5166.8000110.5
400P53.1Low42.1Very low126 Ų126139.8 Ų139.882%0.81881%0.814SS**  -140.5161.393.534.1-17.9000115.7
401V48.8Very low42.8Very low125 Ų125140.6 Ų140.676%0.75882%0.823SS**  trans-66.4140.2166.9177.70000110.8
402S48.8Very low43.5Very low97 Ų97140.3 Ų140.368%0.67883%0.829SS**  153.8126.712560.50000114.1
403D47.1Very low43.8Very low154 Ų154139.5 Ų139.582%0.82482%0.822SS**  trans44.5120.1140.5-57.4-43.3000121.7
404V46.3Very low44.4Very low219 Ų219140.1 Ų140.1100%1.32783%0.832SS**  -1640106.2156.50000109.2

Retrieved 404 of 404 residues in 105.3 ms (Link to these results)