A0A077ZBR8_TRITR Loading...

Translation factor GUF1 homolog, mitochondrial

Promotes mitochondrial protein synthesis. May act as a fidelity factor of the translation reaction, by catalyzing a one-codon backward translocation of tRNAs on improperly translocated ribosomes. Binds to mitochondrial ribosomes in a GTP-dependent manner.

AlphaFold DB , UniProt , Accession A0A077ZBR8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 612 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
1M64.1Low85.3Confident122 Ų12285.8 Ų85.860%0.60140%0.403SS*.  0141.20-97.4-173.8167.600109.6E5 M6 Y258M1-E5 WeakPolarHBondContact CA-OE2 3.32Å; M1-E5 HydrophobicContact CB-CB 4.15Å; M1-E5 HydrophobicContact CE-CB 4.09Å; M1-E5 HydrophobicContact CG-CB 3.75Å; M1-E5 WeakPolarHBondContact CG-OE2 3.45Å; M1-E5 HydrophobicContact SD-CB 3.98Å; M1-M6 HydrophobicContact CB-CE 3.94Å; M1-M6 HydrophobicContact CB-CG 3.87Å; M1-M6 HydrophobicContact SD-CG 4.11Å; M1-Y258 PolarHBondContact SD-OH 2.9Å
2N79.9Confident86Confident100 Ų10082.3 Ų82.354%0.53539%0.387SS..  trans-76.2159.4164.3-168.510.5000110E4 E5 M6N2-E4 PolarHBondContact O-N 3.46Å; N2-E5 PolarHBondContact N-OE2 3.03Å; N2-E5 WeakPolarHBondContact O-CB 3.5Å; N2-E5 PolarHBondContact O-N 3.34Å; N2-M6 PolarHBondContact O-N 3.46Å; N2-M6 VanDerWaalsContact O-N 3.12Å
3I80.9Confident86.7Confident64 Ų6475.9 Ų75.933%0.32836%0.357SS..Hα-helixtrans-56.6-36.5-178.7-67.4167.9000111.5E5 M6 K7 D197I3-E5 VanDerWaalsContact C-N 3.31Å; I3-E5 PolarHBondContact O-N 3.32Å; I3-M6 WeakPolarHBondContact O-CB 3.35Å; I3-M6 PolarHBondContact O-N 3.07Å; I3-K7 HydrophobicContact CG2-CD 4.27Å; I3-K7 HydrophobicContact CG2-CG 4.4Å; I3-K7 WeakPolarHBondContact O-CG 3.34Å; I3-K7 PolarHBondContact O-N 2.87Å; I3-D197 WeakPolarHBondContact CD1-OD1 3.48Å
4E83.8Confident87.4Confident139 Ų13972.4 Ų72.465%0.6534%0.338SS*.Hα-helixtrans-62.5-36.8176.2-66.8-177171.100113N2 K8N2-E4 PolarHBondContact O-N 3.46Å; E4-K8 WeakPolarHBondContact O-CG 3.39Å; E4-K8 PolarHBondContact O-N 3.28Å; E4-K8 VanDerWaalsContact O-N 3.1Å
5E86.7Confident87.9Confident99 Ų9967.5 Ų67.546%0.46332%0.316SS..Hα-helixtrans-71.6-37176.8-61.2174.3149.800110.7M1 N2 I3 K8 R9M1-E5 WeakPolarHBondContact CA-OE2 3.32Å; M1-E5 HydrophobicContact CB-CB 4.15Å; M1-E5 HydrophobicContact CE-CB 4.09Å; M1-E5 HydrophobicContact CG-CB 3.75Å; M1-E5 WeakPolarHBondContact CG-OE2 3.45Å; M1-E5 HydrophobicContact SD-CB 3.98Å; N2-E5 PolarHBondContact N-OE2 3.03Å; N2-E5 WeakPolarHBondContact O-CB 3.5Å; N2-E5 PolarHBondContact O-N 3.34Å; I3-E5 VanDerWaalsContact C-N 3.31Å; I3-E5 PolarHBondContact O-N 3.32Å; E5-K8 PolarHBondContact O-N 3.21Å; E5-R9 PolarHBondContact O-N 3.46Å
6M88.4Confident88.3Confident4 Ų463.3 Ų63.32%0.0230%0.296CS..Hα-helixtrans-64.7-43173.9-68.2175.116800111.3M1 N2 I3 K8 R9 Q10 L196 I225 Y258 M260M1-M6 HydrophobicContact CB-CE 3.94Å; M1-M6 HydrophobicContact CB-CG 3.87Å; M1-M6 HydrophobicContact SD-CG 4.11Å; N2-M6 PolarHBondContact O-N 3.46Å; N2-M6 VanDerWaalsContact O-N 3.12Å; I3-M6 WeakPolarHBondContact O-CB 3.35Å; I3-M6 PolarHBondContact O-N 3.07Å; M6-K8 VanDerWaalsContact C-N 3.32Å; M6-K8 PolarHBondContact O-N 2.84Å; M6-R9 WeakPolarHBondContact O-CB 3.21Å; M6-R9 PolarHBondContact O-N 2.74Å; M6-R9 VanDerWaalsContact O-N 3.11Å; M6-Q10 PolarHBondContact O-N 2.79Å; M6-L196 HydrophobicContact CB-CD1 3.63Å; M6-L196 HydrophobicContact CB-CD2 4.43Å; M6-I225 HydrophobicContact CE-CD1 4.19Å; M6-I225 HydrophobicContact SD-CD1 3.55Å; M6-I225 VanDerWaalsContact SD-CD1 3.55Å; M6-Y258 HydrophobicContact CE-CD1 4.41Å; M6-Y258 HydrophobicContact CE-CD2 4.15Å; M6-Y258 HydrophobicContact CE-CE1 4.11Å; M6-Y258 HydrophobicContact CE-CE2 3.83Å; M6-Y258 HydrophobicContact CE-CG 4.43Å; M6-M260 HydrophobicContact CB-CE 4Å; M6-M260 HydrophobicContact CB-SD 3.78Å; M6-M260 HydrophobicContact CG-SD 3.92Å; M6-M260 WeakPolarHBondContact O-CE 3.4Å
7K88.2Confident88.6Confident93 Ų9359.6 Ų59.640%0.40428%0.279SS..Hα-helixtrans-61.3-39.8175-73.2-176.2179.5-179.50112.2I3 Q10 Q11 L196I3-K7 HydrophobicContact CG2-CD 4.27Å; I3-K7 HydrophobicContact CG2-CG 4.4Å; I3-K7 WeakPolarHBondContact O-CG 3.34Å; I3-K7 PolarHBondContact O-N 2.87Å; K7-Q10 WeakPolarHBondContact O-CB 3.46Å; K7-Q10 PolarHBondContact O-N 2.88Å; K7-Q11 WeakPolarHBondContact O-CG 3.34Å; K7-Q11 PolarHBondContact O-N 2.66Å; K7-L196 HydrophobicContact CB-CD1 4.48Å; K7-L196 HydrophobicContact CG-CD1 3.58Å
8K89.7Confident88.7Confident141 Ų14156.3 Ų56.361%0.61326%0.263SS*.Hα-helixtrans-64.3-42.4172.3-73.8179.1-178.7179.40111.8E4 E5 M6 Q11 M12E4-K8 WeakPolarHBondContact O-CG 3.39Å; E4-K8 PolarHBondContact O-N 3.28Å; E4-K8 VanDerWaalsContact O-N 3.1Å; E5-K8 PolarHBondContact O-N 3.21Å; M6-K8 VanDerWaalsContact C-N 3.32Å; M6-K8 PolarHBondContact O-N 2.84Å; K8-Q11 PolarHBondContact O-N 3.23Å; K8-M12 WeakPolarHBondContact O-CG 3.2Å
9R91.5Very high88.7Confident40 Ų4053.3 Ų53.315%0.15125%0.249CC..Hα-helixtrans-60.6-44.5175.9-177.5176.2174.1-86.1-5.6111.4E5 M6 Q11 M12 I13 E69 I81 M260 D263E5-R9 PolarHBondContact O-N 3.46Å; M6-R9 WeakPolarHBondContact O-CB 3.21Å; M6-R9 PolarHBondContact O-N 2.74Å; M6-R9 VanDerWaalsContact O-N 3.11Å; R9-Q11 VanDerWaalsContact C-N 3.28Å; R9-Q11 PolarHBondContact O-N 3.12Å; R9-M12 WeakPolarHBondContact O-CA 3.21Å; R9-M12 WeakPolarHBondContact O-CB 3.25Å; R9-M12 PolarHBondContact O-N 2.87Å; R9-I13 PolarHBondContact O-N 3.41Å; R9-E69 IonicContact NH2-OE2 2.83Å; R9-I81 HydrophobicContact CG-CD1 4.06Å; R9-M260 HydrophobicContact CB-SD 4.47Å; R9-M260 HydrophobicContact CG-SD 4.47Å; R9-M260 PolarHBondContact NH1-SD 3.43Å; R9-D263 IonicContact CZ-OD1 2.71Å; R9-D263 IonicContact CZ-OD2 3.89Å; R9-D263 IonicContact NH1-OD1 2.8Å; R9-D263 PolarHBondContact NH1-OD1 2.95Å; R9-D263 IonicContact NH1-OD2 3.8Å; R9-D263 PolarHBondContact NH1-OD2 3.45Å; R9-D263 IonicContact NH2-OD1 3.54Å; R9-D263 PolarHBondContact NH2-OD1 3.01Å; R9-D263 IonicContact NH2-OD2 3.65Å
10Q92Very high88.6Confident22 Ų2250.7 Ų50.710%0.10324%0.237CC..Hα-helixtrans-54.5-42.5177.4-177.1-177.51.300112.3M6 K7 M12 I13 P192 G194 M260 V261M6-Q10 PolarHBondContact O-N 2.79Å; K7-Q10 WeakPolarHBondContact O-CB 3.46Å; K7-Q10 PolarHBondContact O-N 2.88Å; Q10-M12 PolarHBondContact O-N 3.27Å; Q10-I13 PolarHBondContact O-N 2.98Å; Q10-I13 VanDerWaalsContact O-N 3.15Å; Q10-P192 HydrophobicContact CG-CG 4.27Å; Q10-P192 WeakPolarHBondContact CG-O 3.26Å; Q10-P192 PolarHBondContact NE2-O 2.91Å; Q10-G194 PolarHBondContact NE2-O 2.69Å; Q10-M260 HydrophobicContact CB-CE 3.86Å; Q10-V261 HydrophobicContact CG-CG1 4.37Å
11Q93.1Very high88.2Confident120 Ų12049.3 Ų49.356%0.56123%0.23SC*.Hα-helixtrans-64.3-21.2177.6-69.6176.9-1400113.7K7 K8 R9 R14K7-Q11 WeakPolarHBondContact O-CG 3.34Å; K7-Q11 PolarHBondContact O-N 2.66Å; K8-Q11 PolarHBondContact O-N 3.23Å; R9-Q11 VanDerWaalsContact C-N 3.28Å; R9-Q11 PolarHBondContact O-N 3.12Å; Q11-R14 PolarHBondContact O-NH1 3.38Å
12M94.3Very high88.7Confident43 Ų4345.5 Ų45.521%0.21221%0.212CC..THydrogen-bonded Turntrans-95.81.7179.1-54.6-54.5166.600113.2K8 R9 Q10 Y80 I81K8-M12 WeakPolarHBondContact O-CG 3.2Å; R9-M12 WeakPolarHBondContact O-CA 3.21Å; R9-M12 WeakPolarHBondContact O-CB 3.25Å; R9-M12 PolarHBondContact O-N 2.87Å; Q10-M12 PolarHBondContact O-N 3.27Å; M12-Y80 HydrophobicContact CB-CD1 4.32Å; M12-Y80 CarbonylContact O-C 3.56Å; M12-Y80 VanDerWaalsContact O-CA 3.29Å; M12-Y80 WeakPolarHBondContact O-CA 3.44Å; M12-Y80 WeakPolarHBondContact O-CD1 3.07Å; M12-Y80 HydrophobicContact SD-CD1 4.32Å; M12-Y80 HydrophobicContact SD-CE1 3.86Å; M12-I81 PolarHBondContact O-N 2.86Å
13I95.1Very high88.7Confident0 Ų046 Ų460%022%0.215CC..EExtended strand (participates in β ladder)trans-88.6140.1177.3-63.2170.6000110R9 Q10 N15 I81 P192R9-I13 PolarHBondContact O-N 3.41Å; Q10-I13 PolarHBondContact O-N 2.98Å; Q10-I13 VanDerWaalsContact O-N 3.15Å; I13-N15 WeakPolarHBondContact CG2-OD1 3.19Å; I13-I81 CarbonylContact C-O 3.48Å; I13-I81 VanDerWaalsContact CA-O 3.29Å; I13-I81 WeakPolarHBondContact CA-O 3.36Å; I13-I81 HydrophobicContact CG1-CB 4.23Å; I13-P192 HydrophobicContact CB-CG 3.95Å; I13-P192 HydrophobicContact CG2-CG 3.97Å; I13-P192 WeakPolarHBondContact O-CD 3.43Å
14R96.1Very high89Confident26 Ų2643 Ų4310%0.09820%0.199CC..EExtended strand (participates in β ladder)trans-132.4120.7167.3-59.3-64.8-176.7-890.6109.9Q11 I81 F82 H83 I185 V186 V189Q11-R14 PolarHBondContact O-NH1 3.38Å; R14-I81 PolarHBondContact N-O 2.9Å; R14-F82 HydrophobicContact CB-CD1 3.74Å; R14-F82 HydrophobicContact CB-CE1 3.98Å; R14-F82 HydrophobicContact CG-CD1 4.1Å; R14-F82 HydrophobicContact CG-CE1 3.86Å; R14-F82 CarbonylContact O-C 3.56Å; R14-F82 WeakPolarHBondContact O-CA 3.42Å; R14-H83 PolarHBondContact O-N 3.17Å; R14-I185 HydrophobicContact CB-CG2 4.01Å; R14-I185 HydrophobicContact CG-CG2 4.3Å; R14-V186 PolarHBondContact NE-O 2.85Å; R14-V186 PolarHBondContact NH2-O 3.45Å; R14-V189 HydrophobicContact CB-CG1 4.41Å; R14-V189 WeakPolarHBondContact CD-O 3.02Å; R14-V189 PolarHBondContact NE-O 2.9Å
15N94.8Very high88.9Confident0 Ų036.9 Ų36.90%017%0.174CC..EExtended strand (participates in β ladder)trans-103.2122.4174-52-40.3000108.8I13 H83 E105 G106 G262I13-N15 WeakPolarHBondContact CG2-OD1 3.19Å; N15-H83 HydrophobicContact CB-CB 4.5Å; N15-H83 WeakPolarHBondContact OD1-CB 3.42Å; N15-H83 PolarHBondContact OD1-CD2 3.37Å; N15-E105 WeakPolarHBondContact CB-OE2 3.18Å; N15-E105 PolarHBondContact ND2-OE2 3.01Å; N15-E105 PolarHBondContact O-N 2.95Å; N15-G106 PolarHBondContact O-N 3.03Å; N15-G262 PolarHBondContact ND2-O 3.32Å; N15-G262 PolarHBondContact OD1-O 3.13Å
16F94.5Very high89Confident0 Ų033 Ų330%016%0.156CC..EExtended strand (participates in β ladder)trans-144.6153.1178.770.1-84.9000112.4I18 F82 H83 L84 I85 G106 V108 I185F16-I18 HydrophobicContact CE2-CG1 4.44Å; F16-F82 HydrophobicContact CE1-CB 3.9Å; F16-F82 HydrophobicContact CE1-CD2 4.17Å; F16-F82 HydrophobicContact CE1-CG 4.02Å; F16-H83 PolarHBondContact N-O 3.16Å; F16-H83 VanDerWaalsContact O-O 3.14Å; F16-L84 HydrophobicContact CD2-CD1 4.14Å; F16-L84 HydrophobicContact CE2-CB 4.45Å; F16-L84 HydrophobicContact CE2-CD1 3.55Å; F16-L84 HydrophobicContact CZ-CB 4.14Å; F16-L84 HydrophobicContact CZ-CD1 4.06Å; F16-L84 WeakPolarHBondContact O-CA 3.24Å; F16-I85 PolarHBondContact O-N 3.1Å; F16-G106 WeakPolarHBondContact CA-O 3.29Å; F16-G106 WeakPolarHBondContact CB-O 3.32Å; F16-V108 HydrophobicContact CD2-CG2 3.77Å; F16-V108 HydrophobicContact CE2-CG2 4.19Å; F16-I185 HydrophobicContact CD1-CD1 4.27Å; F16-I185 HydrophobicContact CD1-CG2 3.76Å; F16-I185 HydrophobicContact CD2-CD1 4.08Å; F16-I185 HydrophobicContact CE1-CD1 3.92Å; F16-I185 HydrophobicContact CE1-CG2 3.94Å; F16-I185 HydrophobicContact CE2-CD1 3.72Å; F16-I185 HydrophobicContact CG-CD1 4.34Å; F16-I185 HydrophobicContact CG-CG2 4.42Å; F16-I185 HydrophobicContact CZ-CD1 3.65Å
17S92.5Very high88.7Confident0 Ų033.3 Ų33.30%016%0.158CC..EExtended strand (participates in β ladder)trans-114.4155.6172.948.90000111.1I85 L101 C104 G106 A107 V108S17-I85 WeakPolarHBondContact CA-O 3.22Å; S17-I85 WeakPolarHBondContact CB-O 3.47Å; S17-L101 WeakPolarHBondContact OG-CD2 3.36Å; S17-C104 PolarHBondContact N-SG 3.36Å; S17-G106 PolarHBondContact N-O 3.45Å; S17-G106 VanDerWaalsContact N-O 3.16Å; S17-A107 CarbonylContact O-C 3.58Å; S17-A107 WeakPolarHBondContact O-CA 3.27Å; S17-V108 PolarHBondContact O-N 3.3Å
18I90.9Very high88.7Confident0 Ų031.3 Ų31.30%015%0.154CC..EExtended strand (participates in β ladder)trans-101.7122.1170.2-50.8172.6000107.9F16 K26 L29 A30 I33 L84 I85 T87 V108 V110F16-I18 HydrophobicContact CE2-CG1 4.44Å; I18-K26 HydrophobicContact CB-CG 3.86Å; I18-K26 HydrophobicContact CG2-CB 4.34Å; I18-K26 HydrophobicContact CG2-CG 3.61Å; I18-K26 WeakPolarHBondContact O-CD 3.48Å; I18-L29 HydrophobicContact CD1-CD2 4.42Å; I18-L29 HydrophobicContact CD1-CG 4.45Å; I18-L29 HydrophobicContact CG2-CD2 4.2Å; I18-A30 HydrophobicContact CD1-CB 3.96Å; I18-I33 HydrophobicContact CD1-CD1 4.12Å; I18-L84 HydrophobicContact CD1-CD1 3.65Å; I18-L84 HydrophobicContact CG1-CD1 3.65Å; I18-I85 PolarHBondContact N-O 2.85Å; I18-T87 PolarHBondContact O-OG1 3.05Å; I18-V108 HydrophobicContact CG1-CB 4.36Å; I18-V108 HydrophobicContact CG2-CB 4.44Å; I18-V110 HydrophobicContact CG2-CG2 3.41Å; I18-V110 VanDerWaalsContact CG2-CG2 3.41Å
19I88.9Confident88.7Confident0 Ų024.6 Ų24.60%013%0.125CC..EExtended strand (participates in β ladder)trans-114.8134.5176.957.8175.4000109.7L101 A107 V108 L109 V110 N124 V125 A128I19-L101 HydrophobicContact CG2-CD2 3.81Å; I19-A107 HydrophobicContact CD1-CB 3.91Å; I19-A107 HydrophobicContact CG1-CB 4.21Å; I19-V108 PolarHBondContact N-O 2.84Å; I19-L109 HydrophobicContact CD1-CD1 3.96Å; I19-L109 HydrophobicContact CG1-CB 4.34Å; I19-L109 HydrophobicContact CG1-CD1 3.9Å; I19-V110 PolarHBondContact O-N 3.11Å; I19-N124 HydrophobicContact CB-CB 4.04Å; I19-N124 HydrophobicContact CD1-CB 4.25Å; I19-N124 HydrophobicContact CG2-CB 4.35Å; I19-V125 HydrophobicContact CD1-CG2 4.44Å; I19-A128 HydrophobicContact CD1-CB 4.14Å
20A85.7Confident88.6Confident0 Ų022.7 Ų22.70%012%0.118CC..EExtended strand (participates in β ladder)trans-160159.3-177.600000110.5H24 K26 V110A20-H24 HydrophobicContact CB-CB 3.96Å; A20-K26 HydrophobicContact CB-CB 3.93Å; A20-V110 HydrophobicContact CB-CB 3.82Å
21H80.8Confident88.3Confident22 Ų2222.1 Ų22.110%0.10212%0.115CC..  trans-67.6162.2161-173.758.3000110.6D23 H24 E118 Q120H21-D23 PolarHBondContact O-N 3.42Å; H21-H24 AromaticContact CD2-CD2 3.95Å; H21-H24 AromaticContact CD2-NE2 3.67Å; H21-H24 AromaticContact CG-NE2 3.99Å; H21-H24 WeakPolarHBondContact O-CB 3.38Å; H21-H24 PolarHBondContact O-N 3.1Å; H21-E118 HydrophobicContact CB-CB 3.98Å; H21-E118 HydrophobicContact CB-CG 4.42Å; H21-Q120 PolarHBondContact CE1-OE1 3.34Å; H21-Q120 WeakPolarHBondContact ND1-CB 3.35Å; H21-Q120 PolarHBondContact ND1-OE1 3.08Å
22I75.3Confident88.1Confident43 Ų4319.9 Ų19.922%0.22110%0.102CC..THydrogen-bonded Turntrans-54.1141.7172.8-62.1161.9000109.2H24 I61 H90I22-H24 PolarHBondContact O-N 2.83Å; I22-I61 HydrophobicContact CG2-CG2 4.29Å; I22-H90 HydrophobicContact CD1-CB 4.11Å; I22-H90 VanDerWaalsContact CD1-CD2 3.46Å; I22-H90 WeakPolarHBondContact CD1-CD2 3.06Å
23D78.9Confident87.8Confident110 Ų11017.9 Ų17.959%0.5889%0.092SC*.THydrogen-bonded Turntrans62.4-0.5-178.1-65.7-28.8000117H21 G25 K141H21-D23 PolarHBondContact O-N 3.42Å; D23-G25 PolarHBondContact O-N 2.84Å; D23-K141 WeakPolarHBondContact O-CE 3.33Å; D23-K141 PolarHBondContact O-NZ 3.1Å
24H87Confident87.4Confident0 Ų017.9 Ų17.90%09%0.092CC..SBendtrans-68.2-5.4176.1-77.7-157.7000114A20 H21 I22 V110 D112 Q115 G116 N140A20-H24 HydrophobicContact CB-CB 3.96Å; H21-H24 AromaticContact CD2-CD2 3.95Å; H21-H24 AromaticContact CD2-NE2 3.67Å; H21-H24 AromaticContact CG-NE2 3.99Å; H21-H24 WeakPolarHBondContact O-CB 3.38Å; H21-H24 PolarHBondContact O-N 3.1Å; I22-H24 PolarHBondContact O-N 2.83Å; H24-V110 HydrophobicContact CB-CG1 4.46Å; H24-V110 PolarHBondContact ND1-O 3.46Å; H24-V110 WeakPolarHBondContact O-CG1 3.49Å; H24-D112 HydrophobicContact CB-CB 4.39Å; H24-D112 PolarHBondContact ND1-N 2.87Å; H24-Q115 PolarHBondContact NE2-OE1 2.81Å; H24-G116 PolarHBondContact CE1-O 3.18Å; H24-G116 VanDerWaalsContact CE1-O 3.23Å; H24-N140 PolarHBondContact O-ND2 2.74Å
25G83.6Confident86.9Confident12 Ų1219.9 Ų19.912%0.12410%0.102CC..SBendtrans96.926.2171.100000115.1D23 T28 L29D23-G25 PolarHBondContact O-N 2.84Å; G25-T28 PolarHBondContact O-N 2.86Å; G25-L29 WeakPolarHBondContact O-CB 3.5Å; G25-L29 PolarHBondContact O-N 3.34Å
26K86.8Confident86.4Confident17 Ų1723 Ų237%0.07412%0.117CC..Hα-helixtrans-53.9-56.8176.6-177.5-168.970.4-139.70113.4I18 A20 T28 L29 A30 T62 D86 T87I18-K26 HydrophobicContact CB-CG 3.86Å; I18-K26 HydrophobicContact CG2-CB 4.34Å; I18-K26 HydrophobicContact CG2-CG 3.61Å; I18-K26 WeakPolarHBondContact O-CD 3.48Å; A20-K26 HydrophobicContact CB-CB 3.93Å; K26-T28 VanDerWaalsContact C-N 3.34Å; K26-T28 PolarHBondContact O-N 3.08Å; K26-L29 WeakPolarHBondContact O-CB 3.43Å; K26-L29 PolarHBondContact O-N 2.95Å; K26-L29 VanDerWaalsContact O-N 3.1Å; K26-A30 PolarHBondContact O-N 3.25Å; K26-T62 WeakPolarHBondContact CE-OG1 3.36Å; K26-T62 PolarHBondContact NZ-OG1 3.39Å; K26-T62 VanDerWaalsContact NZ-OG1 3.09Å; K26-D86 WeakPolarHBondContact CD-OD1 3.29Å; K26-D86 WeakPolarHBondContact CE-OD1 3.45Å; K26-D86 WeakPolarHBondContact CG-OD1 3.29Å; K26-T87 WeakPolarHBondContact CD-O 3.49Å; K26-T87 WeakPolarHBondContact CE-O 3.45Å; K26-T87 PolarHBondContact NZ-O 2.93Å
27S84.1Confident85.9Confident11 Ų1123.6 Ų23.68%0.07712%0.12CC..Hα-helixtrans-62.4-41.5-178.4-44.10000111.8L29 A30 D31 D51 T62S27-L29 VanDerWaalsContact C-N 3.28Å; S27-L29 PolarHBondContact O-N 2.92Å; S27-A30 WeakPolarHBondContact O-CB 3.42Å; S27-A30 PolarHBondContact O-N 2.94Å; S27-D31 PolarHBondContact O-N 2.95Å; S27-D51 PolarHBondContact OG-OD2 2.81Å; S27-T62 PolarHBondContact OG-OG1 3.42Å
28T86.4Confident85.3Confident51 Ų5130.2 Ų30.231%0.31316%0.156SC..Hα-helixtrans-63.7-35.1176.3-44.70000111.9G25 K26 R32 A172G25-T28 PolarHBondContact O-N 2.86Å; K26-T28 VanDerWaalsContact C-N 3.34Å; K26-T28 PolarHBondContact O-N 3.08Å; T28-R32 WeakPolarHBondContact O-CG 3.47Å; T28-R32 PolarHBondContact O-N 2.83Å; T28-A172 HydrophobicContact CG2-CB 3.86Å
29L90.4Very high84.3Confident0 Ų031.7 Ų31.70%017%0.165CC..Hα-helixtrans-67.9-44.9175.2-179.164.4000110.9I18 G25 K26 S27 D31 R32 I33 V108 V110 A172 I178 I181I18-L29 HydrophobicContact CD1-CD2 4.42Å; I18-L29 HydrophobicContact CD1-CG 4.45Å; I18-L29 HydrophobicContact CG2-CD2 4.2Å; G25-L29 WeakPolarHBondContact O-CB 3.5Å; G25-L29 PolarHBondContact O-N 3.34Å; K26-L29 WeakPolarHBondContact O-CB 3.43Å; K26-L29 PolarHBondContact O-N 2.95Å; K26-L29 VanDerWaalsContact O-N 3.1Å; S27-L29 VanDerWaalsContact C-N 3.28Å; S27-L29 PolarHBondContact O-N 2.92Å; L29-D31 VanDerWaalsContact C-N 3.32Å; L29-D31 PolarHBondContact O-N 3.09Å; L29-R32 PolarHBondContact O-N 3.42Å; L29-I33 HydrophobicContact CG-CD1 4.18Å; L29-I33 WeakPolarHBondContact O-CG1 3.49Å; L29-I33 PolarHBondContact O-N 2.87Å; L29-V108 HydrophobicContact CD2-CG1 4.21Å; L29-V110 HydrophobicContact CD2-CG2 3.48Å; L29-V110 VanDerWaalsContact CD2-CG2 3.48Å; L29-A172 HydrophobicContact CB-CB 4.11Å; L29-A172 HydrophobicContact CD1-CB 4.39Å; L29-I178 HydrophobicContact CD1-CD1 3.43Å; L29-I178 VanDerWaalsContact CD1-CD1 3.43Å; L29-I181 HydrophobicContact CD1-CD1 3.75Å; L29-I181 HydrophobicContact CD2-CD1 4.44Å
30A88.6Confident83.4Confident0 Ų032.2 Ų32.20%017%0.168CC..Hα-helixtrans-56.3-46.4175.300000111.4I18 K26 S27 R32 I33 L34 L50 L84I18-A30 HydrophobicContact CD1-CB 3.96Å; K26-A30 PolarHBondContact O-N 3.25Å; S27-A30 WeakPolarHBondContact O-CB 3.42Å; S27-A30 PolarHBondContact O-N 2.94Å; A30-R32 VanDerWaalsContact C-N 3.35Å; A30-R32 PolarHBondContact O-N 2.94Å; A30-I33 WeakPolarHBondContact O-CB 3.49Å; A30-I33 PolarHBondContact O-N 2.98Å; A30-I33 VanDerWaalsContact O-N 3.13Å; A30-L34 WeakPolarHBondContact O-CG 3.11Å; A30-L34 PolarHBondContact O-N 2.9Å; A30-L50 HydrophobicContact CB-CD1 3.72Å; A30-L84 HydrophobicContact CB-CD2 4.13Å
31D86.4Confident82.5Confident10 Ų1035 Ų355%0.05319%0.188CC..Hα-helixtrans-55.9-45.6176-74.6-24.2000112.7S27 L29 I33 L34 E35 M45 Q48 L49S27-D31 PolarHBondContact O-N 2.95Å; L29-D31 VanDerWaalsContact C-N 3.32Å; L29-D31 PolarHBondContact O-N 3.09Å; D31-I33 VanDerWaalsContact C-N 3.31Å; D31-I33 PolarHBondContact O-N 2.88Å; D31-L34 WeakPolarHBondContact O-CB 3.44Å; D31-L34 PolarHBondContact O-N 2.82Å; D31-E35 WeakPolarHBondContact O-CG 3.45Å; D31-E35 PolarHBondContact O-N 2.86Å; D31-M45 HydrophobicContact CB-CE 3.44Å; D31-M45 VanDerWaalsContact CB-CE 3.44Å; D31-M45 VanDerWaalsContact O-CE 3.28Å; D31-M45 WeakPolarHBondContact O-CE 3.35Å; D31-Q48 WeakPolarHBondContact OD2-CA 3.24Å; D31-Q48 PolarHBondContact OD2-N 3.16Å; D31-L49 PolarHBondContact OD1-N 3.26Å
32R88.4Confident81.7Confident73 Ų7339.5 Ų39.528%0.27522%0.222SC..Hα-helixtrans-66-34.5178.1-68.1-59176.4-156.8-10.9112.9T28 L29 A30 L34 E35 Q36 A172 K173 I178T28-R32 WeakPolarHBondContact O-CG 3.47Å; T28-R32 PolarHBondContact O-N 2.83Å; L29-R32 PolarHBondContact O-N 3.42Å; A30-R32 VanDerWaalsContact C-N 3.35Å; A30-R32 PolarHBondContact O-N 2.94Å; R32-L34 VanDerWaalsContact C-N 3.35Å; R32-E35 WeakPolarHBondContact CD-OE2 3.1Å; R32-E35 IonicContact CZ-OE1 3.7Å; R32-E35 IonicContact CZ-OE2 2.7Å; R32-E35 IonicContact NE-OE2 3.37Å; R32-E35 IonicContact NH1-OE1 3.82Å; R32-E35 PolarHBondContact NH1-OE1 3.23Å; R32-E35 IonicContact NH1-OE2 3.38Å; R32-E35 PolarHBondContact NH1-OE2 2.85Å; R32-E35 PolarHBondContact O-N 3.32Å; R32-Q36 WeakPolarHBondContact O-CB 3.28Å; R32-Q36 PolarHBondContact O-N 3.42Å; R32-A172 WeakPolarHBondContact CG-O 3.49Å; R32-A172 PolarHBondContact NE-O 3.44Å; R32-K173 PolarHBondContact NH2-O 3.24Å; R32-I178 HydrophobicContact CB-CD1 3.87Å; R32-I178 HydrophobicContact CB-CG1 3.94Å; R32-I178 HydrophobicContact CB-CG2 4.24Å; R32-I178 HydrophobicContact CG-CD1 4.4Å
33I89.7Confident81Confident0 Ų048.8 Ų48.80%025%0.254CS..Hα-helixtrans-63.7-42.8173.1-70.1167.7000110.2I18 L29 A30 D31 E35 Q36 T37 L70 L84 I178 L182I18-I33 HydrophobicContact CD1-CD1 4.12Å; L29-I33 HydrophobicContact CG-CD1 4.18Å; L29-I33 WeakPolarHBondContact O-CG1 3.49Å; L29-I33 PolarHBondContact O-N 2.87Å; A30-I33 WeakPolarHBondContact O-CB 3.49Å; A30-I33 PolarHBondContact O-N 2.98Å; A30-I33 VanDerWaalsContact O-N 3.13Å; D31-I33 VanDerWaalsContact C-N 3.31Å; D31-I33 PolarHBondContact O-N 2.88Å; I33-E35 PolarHBondContact O-N 2.89Å; I33-Q36 PolarHBondContact O-N 2.85Å; I33-T37 WeakPolarHBondContact O-CB 3.41Å; I33-T37 WeakPolarHBondContact O-CG2 3.47Å; I33-T37 PolarHBondContact O-N 2.92Å; I33-T37 PolarHBondContact O-OG1 2.95Å; I33-L70 HydrophobicContact CG2-CD1 3.48Å; I33-L70 VanDerWaalsContact CG2-CD1 3.48Å; I33-L84 HydrophobicContact CG2-CD2 4.45Å; I33-I178 HydrophobicContact CG1-CG2 4.15Å; I33-L182 HydrophobicContact CG1-CD2 4.26Å; I33-L182 HydrophobicContact CG2-CD2 3.95Å
34L85.9Confident80.3Confident0 Ų047.8 Ų47.80%025%0.246CC..Hα-helixtrans-62.2-42.4176.3-63.9178.3000112.4A30 D31 R32 T37 N38 T39 V40 L49 L50 V68 L70A30-L34 WeakPolarHBondContact O-CG 3.11Å; A30-L34 PolarHBondContact O-N 2.9Å; D31-L34 WeakPolarHBondContact O-CB 3.44Å; D31-L34 PolarHBondContact O-N 2.82Å; R32-L34 VanDerWaalsContact C-N 3.35Å; L34-T37 PolarHBondContact O-OG1 3.31Å; L34-N38 PolarHBondContact O-N 3.34Å; L34-T39 PolarHBondContact O-N 3.21Å; L34-V40 HydrophobicContact CB-CG2 4.41Å; L34-L49 HydrophobicContact CD1-CB 4.36Å; L34-L49 HydrophobicContact CD1-CD2 3.98Å; L34-L50 HydrophobicContact CD1-CD2 3.93Å; L34-L50 HydrophobicContact CD1-CG 4.08Å; L34-V68 HydrophobicContact CD2-CG1 4.12Å; L34-L70 HydrophobicContact CD2-CD1 4.25Å; L34-L70 HydrophobicContact CD2-CD2 3.29Å; L34-L70 HydrophobicContact CD2-CG 4.39Å
35E85.4Confident79.2Confident69 Ų6949.5 Ų49.532%0.32225%0.254SS..Hα-helixtrans-63.4-49176.3-72.5177.3176.300111.6D31 R32 I33 T37 N38 M45D31-E35 WeakPolarHBondContact O-CG 3.45Å; D31-E35 PolarHBondContact O-N 2.86Å; R32-E35 WeakPolarHBondContact CD-OE2 3.1Å; R32-E35 IonicContact CZ-OE1 3.7Å; R32-E35 IonicContact CZ-OE2 2.7Å; R32-E35 IonicContact NE-OE2 3.37Å; R32-E35 IonicContact NH1-OE1 3.82Å; R32-E35 PolarHBondContact NH1-OE1 3.23Å; R32-E35 IonicContact NH1-OE2 3.38Å; R32-E35 PolarHBondContact NH1-OE2 2.85Å; R32-E35 PolarHBondContact O-N 3.32Å; I33-E35 PolarHBondContact O-N 2.89Å; E35-T37 VanDerWaalsContact C-N 3.32Å; E35-T37 PolarHBondContact O-N 3.42Å; E35-N38 PolarHBondContact O-N 2.93Å; E35-M45 HydrophobicContact CG-CE 3.57Å; E35-M45 HydrophobicContact CG-CG 3.93Å; E35-M45 HydrophobicContact CG-SD 3.56Å; E35-M45 VanDerWaalsContact CG-SD 3.56Å; E35-M45 WeakPolarHBondContact OE1-CG 3.32Å
36Q85.3Confident78.2Confident64 Ų6454 Ų5430%0.29927%0.272SS..Hα-helixtrans-69.6-30.8-174.3-177.3161.4-1100112.9R32 I33 N38 I178 S179 L182R32-Q36 WeakPolarHBondContact O-CB 3.28Å; R32-Q36 PolarHBondContact O-N 3.42Å; I33-Q36 PolarHBondContact O-N 2.85Å; Q36-N38 PolarHBondContact O-N 3.47Å; Q36-I178 HydrophobicContact CB-CG2 4.39Å; Q36-S179 VanDerWaalsContact NE2-CA 3.28Å; Q36-S179 PolarHBondContact NE2-OG 3.22Å; Q36-L182 HydrophobicContact CB-CD1 4.27Å; Q36-L182 HydrophobicContact CG-CD1 3.83Å
37T83.5Confident77.1Confident13 Ų1361.7 Ų61.78%0.0831%0.308CS..THydrogen-bonded Turntrans-77.9-2.5173.653.70000113I33 L34 E35 T39 L70 Y72I33-T37 WeakPolarHBondContact O-CB 3.41Å; I33-T37 WeakPolarHBondContact O-CG2 3.47Å; I33-T37 PolarHBondContact O-N 2.92Å; I33-T37 PolarHBondContact O-OG1 2.95Å; L34-T37 PolarHBondContact O-OG1 3.31Å; E35-T37 VanDerWaalsContact C-N 3.32Å; E35-T37 PolarHBondContact O-N 3.42Å; T37-T39 WeakPolarHBondContact CB-OG1 3.12Å; T37-T39 PolarHBondContact O-N 2.84Å; T37-T39 VanDerWaalsContact O-N 3.13Å; T37-T39 PolarHBondContact OG1-OG1 3.15Å; T37-L70 HydrophobicContact CG2-CB 4.13Å; T37-L70 HydrophobicContact CG2-CD1 4.33Å; T37-Y72 HydrophobicContact CG2-CD2 4.24Å
38N79.2Confident76.2Confident140 Ų14063.6 Ų63.675%0.74932%0.316SS*.THydrogen-bonded Turntrans53.924.9-174-58.4-75000113.6L34 E35 Q36 V40L34-N38 PolarHBondContact O-N 3.34Å; E35-N38 PolarHBondContact O-N 2.93Å; Q36-N38 PolarHBondContact O-N 3.47Å; N38-V40 PolarHBondContact O-N 2.79Å
39T71Confident75.2Confident30 Ų3062.9 Ų62.918%0.18431%0.31CS..  trans-66.8-30.2179.5-56.90000110.4L34 T37 V68 L70L34-T39 PolarHBondContact O-N 3.21Å; T37-T39 WeakPolarHBondContact CB-OG1 3.12Å; T37-T39 PolarHBondContact O-N 2.84Å; T37-T39 VanDerWaalsContact O-N 3.13Å; T37-T39 PolarHBondContact OG1-OG1 3.15Å; T39-V68 HydrophobicContact CG2-CG1 4.45Å; T39-L70 HydrophobicContact CG2-CD2 3.53Å; T39-L70 VanDerWaalsContact OG1-CD2 3.23Å; T39-L70 WeakPolarHBondContact OG1-CD2 3.37Å
40V69.6Low74.4Confident12 Ų1263.4 Ų63.47%0.07331%0.313CS..SBendtrans-122.6134.9-179.4-173.10000108.9L34 N38 E44 M45 L49 P251L34-V40 HydrophobicContact CB-CG2 4.41Å; N38-V40 PolarHBondContact O-N 2.79Å; V40-E44 HydrophobicContact CG1-CB 3.49Å; V40-E44 VanDerWaalsContact CG1-CB 3.49Å; V40-M45 HydrophobicContact CB-SD 4.49Å; V40-M45 HydrophobicContact CG1-SD 4.48Å; V40-L49 HydrophobicContact CB-CD2 4.23Å; V40-L49 HydrophobicContact CG1-CD2 3.88Å; V40-L49 HydrophobicContact CG2-CD2 3.62Å; V40-P251 HydrophobicContact CG2-CG 3.86Å
41S65.7Low73.7Confident58 Ų5863.4 Ų63.441%0.40631%0.313SS..  trans-65.2144.9173.968.40000109.8R43 E44 M45S41-R43 PolarHBondContact O-N 3.27Å; S41-E44 PolarHBondContact O-N 3.48Å; S41-E44 WeakPolarHBondContact OG-CG 3.31Å; S41-E44 PolarHBondContact OG-N 3.29Å; S41-E44 PolarHBondContact OG-OE2 3.02Å; S41-M45 PolarHBondContact O-N 3.08Å; S41-M45 VanDerWaalsContact O-N 3.16Å
42S65.5Low73Confident117 Ų11766.4 Ų66.482%0.81833%0.334SS*.THydrogen-bonded Turntrans-56.1-15.2177.3560000114.5
43R59.2Low72.2Confident237 Ų23764 Ų6489%0.89433%0.326SS*.THydrogen-bonded Turntrans-84.3-29174.1-69.2-176.1176.3177.5-0.3114.1S41 M45S41-R43 PolarHBondContact O-N 3.27Å; R43-M45 VanDerWaalsContact C-N 3.34Å
44E65.1Low71.5Confident90 Ų9069 Ų6942%0.42135%0.353SS..THydrogen-bonded Turntrans-87.6-12.6176.2-73.6172.3130.600111.6V40 S41 Q46 K252V40-E44 HydrophobicContact CG1-CB 3.49Å; V40-E44 VanDerWaalsContact CG1-CB 3.49Å; S41-E44 PolarHBondContact O-N 3.48Å; S41-E44 WeakPolarHBondContact OG-CG 3.31Å; S41-E44 PolarHBondContact OG-N 3.29Å; S41-E44 PolarHBondContact OG-OE2 3.02Å; E44-Q46 PolarHBondContact O-N 2.82Å; E44-K252 IonicContact OE1-NZ 4Å; E44-K252 PolarHBondContact OE1-NZ 2.92Å
45M62.7Low70.9Confident36 Ų3669.2 Ų69.218%0.17736%0.355CS..  trans-63.3119.3177.5-157.266.8-166.200110.8D31 E35 V40 S41 R43 L49D31-M45 HydrophobicContact CB-CE 3.44Å; D31-M45 VanDerWaalsContact CB-CE 3.44Å; D31-M45 VanDerWaalsContact O-CE 3.28Å; D31-M45 WeakPolarHBondContact O-CE 3.35Å; E35-M45 HydrophobicContact CG-CE 3.57Å; E35-M45 HydrophobicContact CG-CG 3.93Å; E35-M45 HydrophobicContact CG-SD 3.56Å; E35-M45 VanDerWaalsContact CG-SD 3.56Å; E35-M45 WeakPolarHBondContact OE1-CG 3.32Å; V40-M45 HydrophobicContact CB-SD 4.49Å; V40-M45 HydrophobicContact CG1-SD 4.48Å; S41-M45 PolarHBondContact O-N 3.08Å; S41-M45 VanDerWaalsContact O-N 3.16Å; R43-M45 VanDerWaalsContact C-N 3.34Å; M45-L49 HydrophobicContact SD-CD2 4.45Å
46Q62.9Low70.4Confident106 Ų10666 Ų6650%0.49534%0.339SS..  trans-117.2151.3167.1-64.9-177.4-6.500106.9E44 Q48 L49E44-Q46 PolarHBondContact O-N 2.82Å; Q46-Q48 PolarHBondContact O-N 2.89Å; Q46-L49 HydrophobicContact CB-CD1 4.16Å
47E64Low69.8Low179 Ų17967.4 Ų67.484%0.83634%0.342SS*.THydrogen-bonded Turntrans-60.4135167.9-70.2-177.9169.800108.7
48Q65.2Low69.3Low51 Ų5172.6 Ų72.624%0.23837%0.365CS..THydrogen-bonded Turntrans57.757.8-177.8-61.9174.3-48.700111.9D31 Q46 L50 D51D31-Q48 WeakPolarHBondContact OD2-CA 3.24Å; D31-Q48 PolarHBondContact OD2-N 3.16Å; Q46-Q48 PolarHBondContact O-N 2.89Å; Q48-L50 PolarHBondContact O-N 2.82Å; Q48-D51 HydrophobicContact CB-CB 3.96Å; Q48-D51 WeakPolarHBondContact CB-OD2 3.22Å; Q48-D51 PolarHBondContact O-N 2.92Å
49L65.9Low68.8Low35 Ų3570.4 Ų70.418%0.18335%0.347CS..THydrogen-bonded Turntrans-64.6-31.9-173.5-170.672.2000112.3D31 L34 V40 M45 Q46 D51D31-L49 PolarHBondContact OD1-N 3.26Å; L34-L49 HydrophobicContact CD1-CB 4.36Å; L34-L49 HydrophobicContact CD1-CD2 3.98Å; V40-L49 HydrophobicContact CB-CD2 4.23Å; V40-L49 HydrophobicContact CG1-CD2 3.88Å; V40-L49 HydrophobicContact CG2-CD2 3.62Å; M45-L49 HydrophobicContact SD-CD2 4.45Å; Q46-L49 HydrophobicContact CB-CD1 4.16Å; L49-D51 VanDerWaalsContact C-N 3.34Å
50L73.1Confident68.6Low11 Ų1170.3 Ų70.36%0.05835%0.352CS..THydrogen-bonded Turntrans-76.6-20.9176.4-59.1-176.2000112.8A30 L34 Q48 S52 N66 V68 L84 D86A30-L50 HydrophobicContact CB-CD1 3.72Å; L34-L50 HydrophobicContact CD1-CD2 3.93Å; L34-L50 HydrophobicContact CD1-CG 4.08Å; Q48-L50 PolarHBondContact O-N 2.82Å; L50-S52 PolarHBondContact O-N 2.75Å; L50-N66 PolarHBondContact O-ND2 3.44Å; L50-V68 HydrophobicContact CD2-CG2 3.61Å; L50-L84 HydrophobicContact CD1-CD2 4.32Å; L50-D86 HydrophobicContact CD1-CB 3.86Å
51D73.9Confident68.6Low0 Ų071 Ų710%035%0.354CS..  trans-78.382.8175.3-66.8-30000108S27 Q48 L49 E56 R57 T62S27-D51 PolarHBondContact OG-OD2 2.81Å; Q48-D51 HydrophobicContact CB-CB 3.96Å; Q48-D51 WeakPolarHBondContact CB-OD2 3.22Å; Q48-D51 PolarHBondContact O-N 2.92Å; L49-D51 VanDerWaalsContact C-N 3.34Å; D51-E56 WeakPolarHBondContact CA-OE2 3.49Å; D51-E56 HydrophobicContact CB-CB 3.75Å; D51-R57 HydrophobicContact CB-CG 4.22Å; D51-R57 PolarHBondContact O-NE 2.99Å; D51-T62 PolarHBondContact OD1-OG1 2.98Å
52S71Confident68.6Low73 Ų7368.3 Ų68.351%0.5134%0.336SS..  trans-77.4-23.6-171.466.10000113.1L50 E56L50-S52 PolarHBondContact O-N 2.75Å; S52-E56 PolarHBondContact N-OE2 2.71Å
53M73.4Confident68.6Low22 Ų2263.1 Ų63.111%0.10830%0.299CS..SBendtrans-88.4139-179.6-59.6173.157.700110.6L55 E56 R57 K64 R363M53-L55 PolarHBondContact O-N 2.74Å; M53-L55 VanDerWaalsContact O-N 3.13Å; M53-E56 HydrophobicContact CB-CB 4.34Å; M53-E56 HydrophobicContact CB-CG 3.9Å; M53-E56 WeakPolarHBondContact CB-OE2 3.34Å; M53-E56 HydrophobicContact CG-CG 4.48Å; M53-E56 PolarHBondContact N-OE2 2.58Å; M53-E56 WeakPolarHBondContact O-CB 3.21Å; M53-E56 PolarHBondContact O-N 2.54Å; M53-E56 HydrophobicContact SD-CG 4.46Å; M53-R57 PolarHBondContact O-N 3.07Å; M53-K64 HydrophobicContact SD-CB 4.28Å; M53-R363 HydrophobicContact CE-CG 3.7Å
54D73.2Confident69.2Low106 Ų10653.8 Ų53.857%0.56727%0.265SS*.Hα-helixtrans-55.3-34.6174-66.7-31.6000111.6R57 E58D54-R57 PolarHBondContact O-N 3.42Å; D54-E58 WeakPolarHBondContact O-CB 3.48Å; D54-E58 WeakPolarHBondContact O-CG 3.45Å; D54-E58 PolarHBondContact O-N 2.89Å
55L74.3Confident69.6Low5 Ų549.7 Ų49.73%0.02625%0.246CC..Hα-helixtrans-65.3-38.8177.8-175.854.6000113.7M53 R57 E58 R59 I63 V359 E362M53-L55 PolarHBondContact O-N 2.74Å; M53-L55 VanDerWaalsContact O-N 3.13Å; L55-R57 VanDerWaalsContact C-N 3.33Å; L55-E58 PolarHBondContact O-N 2.94Å; L55-R59 HydrophobicContact CD1-CG 4.01Å; L55-R59 WeakPolarHBondContact O-CB 3.43Å; L55-R59 PolarHBondContact O-N 3.06Å; L55-I63 HydrophobicContact CB-CD1 4.34Å; L55-I63 HydrophobicContact CD2-CD1 3.88Å; L55-I63 HydrophobicContact CG-CD1 3.72Å; L55-V359 HydrophobicContact CD2-CB 4.13Å; L55-V359 HydrophobicContact CD2-CG1 3.96Å; L55-V359 HydrophobicContact CD2-CG2 3.94Å; L55-E362 HydrophobicContact CD1-CG 4.07Å; L55-E362 WeakPolarHBondContact CD1-OE2 3.36Å; L55-E362 HydrophobicContact CD2-CB 4.17Å; L55-E362 HydrophobicContact CD2-CG 4.17Å
56E74.7Confident70.2Confident0 Ų049.7 Ų49.70%025%0.246CC..Hα-helixtrans-63.1-45176.8-70.7174.1138.900109.9D51 S52 M53 G60 I61 I63 K64D51-E56 WeakPolarHBondContact CA-OE2 3.49Å; D51-E56 HydrophobicContact CB-CB 3.75Å; S52-E56 PolarHBondContact N-OE2 2.71Å; M53-E56 HydrophobicContact CB-CB 4.34Å; M53-E56 HydrophobicContact CB-CG 3.9Å; M53-E56 WeakPolarHBondContact CB-OE2 3.34Å; M53-E56 HydrophobicContact CG-CG 4.48Å; M53-E56 PolarHBondContact N-OE2 2.58Å; M53-E56 WeakPolarHBondContact O-CB 3.21Å; M53-E56 PolarHBondContact O-N 2.54Å; M53-E56 HydrophobicContact SD-CG 4.46Å; E56-G60 WeakPolarHBondContact O-CA 3.39Å; E56-G60 PolarHBondContact O-N 2.99Å; E56-I61 WeakPolarHBondContact CA-O 3.48Å; E56-I61 WeakPolarHBondContact CB-O 3.3Å; E56-I61 WeakPolarHBondContact CG-O 3.43Å; E56-I61 PolarHBondContact O-N 2.99Å; E56-I61 VanDerWaalsContact O-N 3.11Å; E56-I63 HydrophobicContact CG-CB 3.72Å; E56-I63 HydrophobicContact CG-CD1 3.87Å; E56-I63 HydrophobicContact CG-CG1 3.82Å; E56-I63 WeakPolarHBondContact OE1-CA 3.31Å; E56-I63 PolarHBondContact OE1-N 2.7Å; E56-K64 PolarHBondContact OE1-N 3.19Å
57R73.5Confident71.1Confident94 Ų9445.4 Ų45.436%0.35523%0.229SC..Hα-helixtrans-66-41.1178.7-63.8176.7177-162-11.9112.7D51 M53 D54 L55D51-R57 HydrophobicContact CB-CG 4.22Å; D51-R57 PolarHBondContact O-NE 2.99Å; M53-R57 PolarHBondContact O-N 3.07Å; D54-R57 PolarHBondContact O-N 3.42Å; L55-R57 VanDerWaalsContact C-N 3.33Å
58E73Confident72.3Confident122 Ų12237.1 Ų37.157%0.5719%0.191SC*.Hα-helixtrans-69-38.8179.6-77.9176.7-15600112.8D54 L55 R366D54-E58 WeakPolarHBondContact O-CB 3.48Å; D54-E58 WeakPolarHBondContact O-CG 3.45Å; D54-E58 PolarHBondContact O-N 2.89Å; L55-E58 PolarHBondContact O-N 2.94Å; E58-R366 VanDerWaalsContact CD-NH1 3.32Å; E58-R366 IonicContact OE1-CZ 3.58Å; E58-R366 IonicContact OE1-NH1 2.96Å; E58-R366 PolarHBondContact OE1-NH1 3.46Å; E58-R366 IonicContact OE1-NH2 3.08Å; E58-R366 PolarHBondContact OE1-NH2 3.39Å; E58-R366 IonicContact OE2-CZ 3.55Å; E58-R366 IonicContact OE2-NH1 2.84Å; E58-R366 PolarHBondContact OE2-NH1 2.77Å; E58-R366 IonicContact OE2-NH2 3.45Å; E58-R366 PolarHBondContact OE2-NH2 2.9Å
59R68.5Low73.6Confident95 Ų9534.8 Ų34.836%0.35818%0.18SC..Hα-helixtrans-89.2-12.6179.5-66.4-170.2-174.1-1496.1113.4L55 I61 D358 E362L55-R59 HydrophobicContact CD1-CG 4.01Å; L55-R59 WeakPolarHBondContact O-CB 3.43Å; L55-R59 PolarHBondContact O-N 3.06Å; R59-I61 VanDerWaalsContact C-N 3.31Å; R59-I61 HydrophobicContact CB-CD1 4.2Å; R59-I61 HydrophobicContact CB-CG1 3.74Å; R59-D358 IonicContact NH1-OD2 3.8Å; R59-E362 IonicContact CZ-OE2 3.66Å; R59-E362 IonicContact NE-OE2 2.66Å; R59-E362 IonicContact NH2-OE2 3.91Å; R59-E362 PolarHBondContact NH2-OE2 3.02Å
60G65.4Low74.9Confident28 Ų2833.1 Ų33.129%0.28917%0.171SC..THydrogen-bonded Turntrans68.327.1-176.800000113.7E56E56-G60 WeakPolarHBondContact O-CA 3.39Å; E56-G60 PolarHBondContact O-N 2.99Å
61I70.3Confident75.7Confident25 Ų2536.8 Ų36.813%0.12819%0.188CC..  trans-128.5141.3-177.258167.5000111.1I22 E56 R59 I63 L355I22-I61 HydrophobicContact CG2-CG2 4.29Å; E56-I61 WeakPolarHBondContact CA-O 3.48Å; E56-I61 WeakPolarHBondContact CB-O 3.3Å; E56-I61 WeakPolarHBondContact CG-O 3.43Å; E56-I61 PolarHBondContact O-N 2.99Å; E56-I61 VanDerWaalsContact O-N 3.11Å; R59-I61 VanDerWaalsContact C-N 3.31Å; R59-I61 HydrophobicContact CB-CD1 4.2Å; R59-I61 HydrophobicContact CB-CG1 3.74Å; I61-I63 HydrophobicContact CD1-CD1 4.34Å; I61-I63 HydrophobicContact CD1-CG1 4.01Å; I61-I63 HydrophobicContact CG1-CD1 4.4Å; I61-I63 HydrophobicContact CG1-CG1 4.07Å; I61-L355 HydrophobicContact CD1-CD1 4.23Å; I61-L355 HydrophobicContact CD1-CD2 3.83Å
62T66.3Low76.6Confident2 Ų237.7 Ų37.71%0.01219%0.191CC..  trans-74.1123166.7-39.70000109K26 S27 D51 K64 D86 P88K26-T62 WeakPolarHBondContact CE-OG1 3.36Å; K26-T62 PolarHBondContact NZ-OG1 3.39Å; K26-T62 VanDerWaalsContact NZ-OG1 3.09Å; S27-T62 PolarHBondContact OG-OG1 3.42Å; D51-T62 PolarHBondContact OD1-OG1 2.98Å; T62-K64 WeakPolarHBondContact CG2-O 3.44Å; T62-D86 WeakPolarHBondContact CG2-OD2 3.28Å; T62-P88 WeakPolarHBondContact O-CA 3.5Å; T62-P88 WeakPolarHBondContact O-CB 3.18Å
63I65.5Low77.7Confident9 Ų938.4 Ų38.45%0.04619%0.192CC..  trans-106.4-42.4179.4-67.3169.9000109.5L55 E56 I61 P88 F93 V359L55-I63 HydrophobicContact CB-CD1 4.34Å; L55-I63 HydrophobicContact CD2-CD1 3.88Å; L55-I63 HydrophobicContact CG-CD1 3.72Å; E56-I63 HydrophobicContact CG-CB 3.72Å; E56-I63 HydrophobicContact CG-CD1 3.87Å; E56-I63 HydrophobicContact CG-CG1 3.82Å; E56-I63 WeakPolarHBondContact OE1-CA 3.31Å; E56-I63 PolarHBondContact OE1-N 2.7Å; I61-I63 HydrophobicContact CD1-CD1 4.34Å; I61-I63 HydrophobicContact CD1-CG1 4.01Å; I61-I63 HydrophobicContact CG1-CD1 4.4Å; I61-I63 HydrophobicContact CG1-CG1 4.07Å; I63-P88 WeakPolarHBondContact O-CG 3.32Å; I63-F93 HydrophobicContact CG1-CE2 4.34Å; I63-F93 HydrophobicContact CG2-CE1 4.23Å; I63-F93 HydrophobicContact CG2-CE2 4.45Å; I63-F93 HydrophobicContact CG2-CZ 3.98Å; I63-V359 HydrophobicContact CD1-CG1 4.13Å; I63-V359 HydrophobicContact CD1-CG2 3.76Å; I63-V359 HydrophobicContact CG1-CG2 4.42Å; I63-V359 HydrophobicContact CG2-CG1 3.75Å
64K71Confident78.5Confident41 Ų4137.6 Ų37.618%0.17819%0.189CC..SBendtrans-107.8137.9-177.2-166.8-179176-176.80110.7M53 E56 T62 D206M53-K64 HydrophobicContact SD-CB 4.28Å; E56-K64 PolarHBondContact OE1-N 3.19Å; T62-K64 WeakPolarHBondContact CG2-O 3.44Å; K64-D206 WeakPolarHBondContact CE-OD2 3.37Å; K64-D206 IonicContact NZ-OD2 3.05Å
65L73.1Confident79.4Confident4 Ų439 Ų392%0.02120%0.197CC..  trans-65.6136.8171.171.796.8000110.6D86 F205 D206L65-D86 WeakPolarHBondContact CA-O 3.41Å; L65-F205 HydrophobicContact CD1-CD2 3.61Å; L65-F205 HydrophobicContact CD1-CE2 3.53Å; L65-D206 HydrophobicContact CD1-CB 3.97Å; L65-D206 HydrophobicContact CD2-CB 4.18Å; L65-D206 HydrophobicContact CG-CB 4.37Å
66N75.2Confident80.2Confident36 Ų3642.6 Ų42.619%0.19322%0.216CC..EExtended strand (participates in β ladder)trans-129.2124.7173.5-79.3-47.2000109.7L50 I85 D86L50-N66 PolarHBondContact O-ND2 3.44Å; N66-I85 WeakPolarHBondContact O-CA 3.21Å; N66-D86 PolarHBondContact O-N 3.06Å
67A83Confident80.9Confident16 Ų1645.3 Ų45.313%0.13224%0.244CC..EExtended strand (participates in β ladder)trans-101.6128.2176.800000109.6L84 I85 F205 F249 V264A67-L84 CarbonylContact C-O 3.53Å; A67-L84 VanDerWaalsContact CA-O 3.3Å; A67-L84 WeakPolarHBondContact CA-O 3.31Å; A67-I85 HydrophobicContact CB-CG1 4.2Å; A67-F205 HydrophobicContact CB-CE2 4.37Å; A67-F205 HydrophobicContact CB-CZ 4.16Å; A67-F249 WeakPolarHBondContact O-CB 3.1Å; A67-V264 HydrophobicContact CB-CG1 3.78Å
68V89.2Confident81.8Confident5 Ų545 Ų453%0.0325%0.247CC..EExtended strand (participates in β ladder)trans-132129.5178.8-174.20000110.5L34 T39 L50 L70 H83 L84 F249 P251L34-V68 HydrophobicContact CD2-CG1 4.12Å; T39-V68 HydrophobicContact CG2-CG1 4.45Å; L50-V68 HydrophobicContact CD2-CG2 3.61Å; V68-L70 HydrophobicContact CB-CD2 4.32Å; V68-L70 HydrophobicContact CG1-CD2 3.54Å; V68-L70 HydrophobicContact CG1-CG 4.46Å; V68-H83 WeakPolarHBondContact O-CA 3.42Å; V68-L84 PolarHBondContact N-O 3.16Å; V68-L84 PolarHBondContact O-N 2.66Å; V68-F249 CarbonylContact C-O 3.54Å; V68-F249 WeakPolarHBondContact CA-O 3.43Å; V68-P251 HydrophobicContact CG1-CB 4.23Å; V68-P251 HydrophobicContact CG2-CB 4.44Å
69E92.8Very high82.7Confident1 Ų144.1 Ų44.11%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-82.2125.4168.6-172.6-17581.600110.1R9 H71 I81 F82 H83 V248 F249 S250 R256R9-E69 IonicContact NH2-OE2 2.83Å; E69-H71 IonicContact OE1-NE2 3.9Å; E69-I81 HydrophobicContact CG-CG2 3.6Å; E69-F82 CarbonylContact C-O 3.57Å; E69-F82 VanDerWaalsContact CA-O 3.28Å; E69-F82 WeakPolarHBondContact CA-O 3.49Å; E69-H83 IonicContact OE2-CE1 3.01Å; E69-H83 PolarHBondContact OE2-CE1 2.59Å; E69-H83 IonicContact OE2-NE2 3.64Å; E69-V248 HydrophobicContact CB-CB 4.28Å; E69-V248 HydrophobicContact CB-CG2 4.36Å; E69-V248 WeakPolarHBondContact OE1-CG2 3.45Å; E69-F249 PolarHBondContact N-O 2.83Å; E69-S250 WeakPolarHBondContact O-CB 3.47Å; E69-S250 PolarHBondContact O-OG 2.91Å; E69-R256 IonicContact OE1-CZ 3.62Å; E69-R256 IonicContact OE1-NH2 2.99Å; E69-R256 PolarHBondContact OE1-NH2 3.15Å; E69-R256 IonicContact OE2-NH2 3.81Å
70L91.6Very high84Confident0 Ų040.4 Ų40.40%023%0.232CC..EExtended strand (participates in β ladder)trans-121.6149.4178-41.1172.7000109.5I33 L34 T37 T39 V68 I81 F82 L84I33-L70 HydrophobicContact CG2-CD1 3.48Å; I33-L70 VanDerWaalsContact CG2-CD1 3.48Å; L34-L70 HydrophobicContact CD2-CD1 4.25Å; L34-L70 HydrophobicContact CD2-CD2 3.29Å; L34-L70 HydrophobicContact CD2-CG 4.39Å; T37-L70 HydrophobicContact CG2-CB 4.13Å; T37-L70 HydrophobicContact CG2-CD1 4.33Å; T39-L70 HydrophobicContact CG2-CD2 3.53Å; T39-L70 VanDerWaalsContact OG1-CD2 3.23Å; T39-L70 WeakPolarHBondContact OG1-CD2 3.37Å; V68-L70 HydrophobicContact CB-CD2 4.32Å; V68-L70 HydrophobicContact CG1-CD2 3.54Å; V68-L70 HydrophobicContact CG1-CG 4.46Å; L70-I81 WeakPolarHBondContact O-CA 3.49Å; L70-F82 HydrophobicContact CB-CB 4.14Å; L70-F82 PolarHBondContact N-O 2.99Å; L70-F82 PolarHBondContact O-N 3.33Å; L70-L84 HydrophobicContact CD1-CB 4.17Å; L70-L84 HydrophobicContact CD1-CD2 4.34Å
71H91.5Very high85.3Confident89 Ų8939.8 Ų39.841%0.41222%0.222SC..EExtended strand (participates in β ladder)trans-109.1126.7172.4-70.5-68.1000109.5E69E69-H71 IonicContact OE1-NE2 3.9Å
72Y92.9Very high86.5Confident18 Ų1838.6 Ų38.67%0.07122%0.216CC..EExtended strand (participates in β ladder)trans-127.4126.2-178.8-177.7-115000111T37 A74 N79 Y80 F82 L182 E183 V186T37-Y72 HydrophobicContact CG2-CD2 4.24Å; Y72-A74 HydrophobicContact CD1-CB 4.13Å; Y72-A74 HydrophobicContact CE1-CB 3.85Å; Y72-N79 CarbonylContact O-C 3.53Å; Y72-N79 WeakPolarHBondContact O-CA 3.13Å; Y72-Y80 PolarHBondContact N-O 3.03Å; Y72-Y80 PolarHBondContact O-N 2.78Å; Y72-F82 AromaticContact CD1-CE2 3.68Å; Y72-F82 HydrophobicContact CD1-CE2 3.68Å; Y72-F82 AromaticContact CD1-CZ 3.56Å; Y72-F82 HydrophobicContact CD1-CZ 3.56Å; Y72-F82 HydrophobicContact CE1-CZ 4.43Å; Y72-F82 AromaticContact CG-CE2 3.69Å; Y72-F82 HydrophobicContact CG-CE2 3.69Å; Y72-F82 HydrophobicContact CG-CZ 4Å; Y72-L182 HydrophobicContact CD1-CB 4.39Å; Y72-L182 HydrophobicContact CD2-CB 4.45Å; Y72-L182 HydrophobicContact CD2-CD1 3.95Å; Y72-L182 HydrophobicContact CE1-CB 3.85Å; Y72-L182 HydrophobicContact CE2-CB 3.94Å; Y72-L182 HydrophobicContact CE2-CD1 3.58Å; Y72-L182 HydrophobicContact CE2-CG 4.35Å; Y72-E183 WeakPolarHBondContact CE1-OE1 3.42Å; Y72-E183 PolarHBondContact OH-OE1 2.94Å; Y72-V186 HydrophobicContact CD1-CG2 3.98Å; Y72-V186 HydrophobicContact CE1-CG2 4.05Å
73T92.5Very high87.8Confident88 Ų8838.6 Ų38.654%0.5422%0.216SC..EExtended strand (participates in β ladder)trans-91.5108.9169.3-53.80000108Q78 N79T73-Q78 WeakPolarHBondContact CA-O 3.28Å; T73-N79 WeakPolarHBondContact CB-OD1 3.21Å; T73-N79 PolarHBondContact OG1-OD1 3.07Å
74A91.5Very high89Confident5 Ų538.2 Ų38.24%0.04121%0.214CC..  trans-77.6168.9-178.300000111.6Y72 D76 G77 Q78 Y80 E183 V186Y72-A74 HydrophobicContact CD1-CB 4.13Å; Y72-A74 HydrophobicContact CE1-CB 3.85Å; A74-D76 WeakPolarHBondContact CB-OD1 3.32Å; A74-D76 PolarHBondContact O-N 3.41Å; A74-D76 VanDerWaalsContact O-N 3.16Å; A74-G77 PolarHBondContact O-N 3.35Å; A74-Q78 PolarHBondContact N-O 2.82Å; A74-Y80 HydrophobicContact CB-CD2 3.72Å; A74-Y80 HydrophobicContact CB-CE2 3.62Å; A74-E183 VanDerWaalsContact CA-OE1 3.26Å; A74-E183 WeakPolarHBondContact CA-OE1 3.01Å; A74-V186 HydrophobicContact CB-CG1 4.27Å; A74-V186 HydrophobicContact CB-CG2 3.93Å
75N90.8Very high89.8Confident135 Ų13536.2 Ų36.272%0.72221%0.205SC*.THydrogen-bonded Turntrans-62.2-21.1178.5-69-38.1000113.6G77 E183N75-G77 PolarHBondContact O-N 2.76Å; N75-E183 WeakPolarHBondContact CB-OE2 3.3Å; N75-E183 VanDerWaalsContact CG-CD 3.45Å; N75-E183 PolarHBondContact N-OE1 3.38Å; N75-E183 VanDerWaalsContact ND2-CG 3.32Å; N75-E183 WeakPolarHBondContact ND2-CG 3.37Å; N75-E183 PolarHBondContact ND2-OE1 2.85Å; N75-E183 PolarHBondContact ND2-OE2 2.8Å
76D90.9Very high90.3Very high81 Ų8136 Ų3643%0.43320%0.204SC..THydrogen-bonded Turntrans-72.7-5172.774.7-8000113.3A74 Q78 Y80A74-D76 WeakPolarHBondContact CB-OD1 3.32Å; A74-D76 PolarHBondContact O-N 3.41Å; A74-D76 VanDerWaalsContact O-N 3.16Å; D76-Q78 VanDerWaalsContact C-N 3.3Å; D76-Q78 WeakPolarHBondContact OD1-CA 3.11Å; D76-Q78 VanDerWaalsContact OD1-CB 3.28Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.18Å; D76-Q78 PolarHBondContact OD1-N 2.87Å; D76-Q78 PolarHBondContact OD2-NE2 2.93Å; D76-Y80 PolarHBondContact OD2-OH 3.29Å
77G90.4Very high90.5Very high58 Ų5834.3 Ų34.360%0.59820%0.195SC*.SBendtrans80.83.6-178.700000114.3A74 N75A74-G77 PolarHBondContact O-N 3.35Å; N75-G77 PolarHBondContact O-N 2.76Å
78Q91.7Very high90.1Very high86 Ų8633.6 Ų33.640%0.40219%0.189SC..PPolyproline II helixtrans-91152.4177.6-55.3-173.271.800111.1T73 A74 D76 Y80T73-Q78 WeakPolarHBondContact CA-O 3.28Å; A74-Q78 PolarHBondContact N-O 2.82Å; D76-Q78 VanDerWaalsContact C-N 3.3Å; D76-Q78 WeakPolarHBondContact OD1-CA 3.11Å; D76-Q78 VanDerWaalsContact OD1-CB 3.28Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.18Å; D76-Q78 PolarHBondContact OD1-N 2.87Å; D76-Q78 PolarHBondContact OD2-NE2 2.93Å; Q78-Y80 HydrophobicContact CB-CD2 4.49Å; Q78-Y80 HydrophobicContact CB-CE2 3.81Å
79N92.9Very high88.9Confident105 Ų10533.7 Ų33.756%0.56119%0.191SC*.EExtended strand (participates in β ladder)trans-99.6117.4177.9-69.2-32.5000109.7Y72 T73Y72-N79 CarbonylContact O-C 3.53Å; Y72-N79 WeakPolarHBondContact O-CA 3.13Å; T73-N79 WeakPolarHBondContact CB-OD1 3.21Å; T73-N79 PolarHBondContact OG1-OD1 3.07Å
80Y94.7Very high87.7Confident16 Ų1635.3 Ų35.36%0.06320%0.198CC..EExtended strand (participates in β ladder)trans-98.1152.8175.5-66.4-94.8000110.8M12 Y72 A74 D76 Q78 F82 V186M12-Y80 HydrophobicContact CB-CD1 4.32Å; M12-Y80 CarbonylContact O-C 3.56Å; M12-Y80 VanDerWaalsContact O-CA 3.29Å; M12-Y80 WeakPolarHBondContact O-CA 3.44Å; M12-Y80 WeakPolarHBondContact O-CD1 3.07Å; M12-Y80 HydrophobicContact SD-CD1 4.32Å; M12-Y80 HydrophobicContact SD-CE1 3.86Å; Y72-Y80 PolarHBondContact N-O 3.03Å; Y72-Y80 PolarHBondContact O-N 2.78Å; A74-Y80 HydrophobicContact CB-CD2 3.72Å; A74-Y80 HydrophobicContact CB-CE2 3.62Å; D76-Y80 PolarHBondContact OD2-OH 3.29Å; Q78-Y80 HydrophobicContact CB-CD2 4.49Å; Q78-Y80 HydrophobicContact CB-CE2 3.81Å; Y80-F82 HydrophobicContact CG-CE1 4.37Å; Y80-V186 HydrophobicContact CD1-CG1 4.27Å; Y80-V186 HydrophobicContact CD2-CG1 4.11Å; Y80-V186 HydrophobicContact CD2-CG2 4.02Å; Y80-V186 HydrophobicContact CE1-CG1 3.77Å; Y80-V186 HydrophobicContact CE2-CG1 3.57Å; Y80-V186 HydrophobicContact CE2-CG2 4.3Å; Y80-V186 HydrophobicContact CG-CG1 4.44Å; Y80-V186 HydrophobicContact CG-CG2 4.17Å
81I93.9Very high86.3Confident16 Ų1637.1 Ų37.18%0.08221%0.21CC..EExtended strand (participates in β ladder)trans-110.5116.8172.9-56176.9000106.7R9 M12 I13 R14 E69 L70R9-I81 HydrophobicContact CG-CD1 4.06Å; M12-I81 PolarHBondContact O-N 2.86Å; I13-I81 CarbonylContact C-O 3.48Å; I13-I81 VanDerWaalsContact CA-O 3.29Å; I13-I81 WeakPolarHBondContact CA-O 3.36Å; I13-I81 HydrophobicContact CG1-CB 4.23Å; R14-I81 PolarHBondContact N-O 2.9Å; E69-I81 HydrophobicContact CG-CG2 3.6Å; L70-I81 WeakPolarHBondContact O-CA 3.49Å
82F94.7Very high85.2Confident0 Ų033.3 Ų33.30%019%0.192CC..EExtended strand (participates in β ladder)trans-102.8130.4178.4-69.5-9.9000109.5R14 F16 E69 L70 Y72 Y80 L182 I185 V186R14-F82 HydrophobicContact CB-CD1 3.74Å; R14-F82 HydrophobicContact CB-CE1 3.98Å; R14-F82 HydrophobicContact CG-CD1 4.1Å; R14-F82 HydrophobicContact CG-CE1 3.86Å; R14-F82 CarbonylContact O-C 3.56Å; R14-F82 WeakPolarHBondContact O-CA 3.42Å; F16-F82 HydrophobicContact CE1-CB 3.9Å; F16-F82 HydrophobicContact CE1-CD2 4.17Å; F16-F82 HydrophobicContact CE1-CG 4.02Å; E69-F82 CarbonylContact C-O 3.57Å; E69-F82 VanDerWaalsContact CA-O 3.28Å; E69-F82 WeakPolarHBondContact CA-O 3.49Å; L70-F82 HydrophobicContact CB-CB 4.14Å; L70-F82 PolarHBondContact N-O 2.99Å; L70-F82 PolarHBondContact O-N 3.33Å; Y72-F82 AromaticContact CD1-CE2 3.68Å; Y72-F82 HydrophobicContact CD1-CE2 3.68Å; Y72-F82 AromaticContact CD1-CZ 3.56Å; Y72-F82 HydrophobicContact CD1-CZ 3.56Å; Y72-F82 HydrophobicContact CE1-CZ 4.43Å; Y72-F82 AromaticContact CG-CE2 3.69Å; Y72-F82 HydrophobicContact CG-CE2 3.69Å; Y72-F82 HydrophobicContact CG-CZ 4Å; Y80-F82 HydrophobicContact CG-CE1 4.37Å; F82-L182 HydrophobicContact CD2-CD2 4.18Å; F82-L182 HydrophobicContact CE2-CB 4.42Å; F82-L182 HydrophobicContact CE2-CD2 3.78Å; F82-I185 HydrophobicContact CD1-CG2 4.45Å; F82-I185 HydrophobicContact CE1-CG2 4.06Å; F82-I185 HydrophobicContact CE2-CG2 4.48Å; F82-I185 HydrophobicContact CZ-CG2 4.08Å; F82-V186 HydrophobicContact CE1-CG2 4.06Å; F82-V186 HydrophobicContact CZ-CG2 3.63Å
83H93.6Very high84.2Confident2 Ų232.6 Ų32.61%0.00919%0.189CC..EExtended strand (participates in β ladder)trans-104.8105.5164.1-65.9-70.7000108R14 N15 F16 V68 E69 D263 V264R14-H83 PolarHBondContact O-N 3.17Å; N15-H83 HydrophobicContact CB-CB 4.5Å; N15-H83 WeakPolarHBondContact OD1-CB 3.42Å; N15-H83 PolarHBondContact OD1-CD2 3.37Å; F16-H83 PolarHBondContact N-O 3.16Å; F16-H83 VanDerWaalsContact O-O 3.14Å; V68-H83 WeakPolarHBondContact O-CA 3.42Å; E69-H83 IonicContact OE2-CE1 3.01Å; E69-H83 PolarHBondContact OE2-CE1 2.59Å; E69-H83 IonicContact OE2-NE2 3.64Å; H83-D263 IonicContact NE2-OD1 3.92Å; H83-V264 HydrophobicContact CB-CB 3.87Å; H83-V264 HydrophobicContact CB-CG2 3.8Å; H83-V264 PolarHBondContact CE1-O 3.33Å; H83-V264 PolarHBondContact ND1-O 2.89Å; H83-V264 PolarHBondContact NE2-N 3.5Å
84L91.7Very high83Confident0 Ų030.1 Ų30.10%018%0.175CC..EExtended strand (participates in β ladder)trans-89.1122.6175.1167.761.5000108.8F16 I18 A30 I33 L50 A67 V68 L70F16-L84 HydrophobicContact CD2-CD1 4.14Å; F16-L84 HydrophobicContact CE2-CB 4.45Å; F16-L84 HydrophobicContact CE2-CD1 3.55Å; F16-L84 HydrophobicContact CZ-CB 4.14Å; F16-L84 HydrophobicContact CZ-CD1 4.06Å; F16-L84 WeakPolarHBondContact O-CA 3.24Å; I18-L84 HydrophobicContact CD1-CD1 3.65Å; I18-L84 HydrophobicContact CG1-CD1 3.65Å; A30-L84 HydrophobicContact CB-CD2 4.13Å; I33-L84 HydrophobicContact CG2-CD2 4.45Å; L50-L84 HydrophobicContact CD1-CD2 4.32Å; A67-L84 CarbonylContact C-O 3.53Å; A67-L84 VanDerWaalsContact CA-O 3.3Å; A67-L84 WeakPolarHBondContact CA-O 3.31Å; V68-L84 PolarHBondContact N-O 3.16Å; V68-L84 PolarHBondContact O-N 2.66Å; L70-L84 HydrophobicContact CD1-CB 4.17Å; L70-L84 HydrophobicContact CD1-CD2 4.34Å
85I87.7Confident82.1Confident0 Ų030.7 Ų30.70%018%0.176CC..EExtended strand (participates in β ladder)trans-111111.6170.8-51.5-177000109.2F16 S17 I18 N66 A67 A103 V264F16-I85 PolarHBondContact O-N 3.1Å; S17-I85 WeakPolarHBondContact CA-O 3.22Å; S17-I85 WeakPolarHBondContact CB-O 3.47Å; I18-I85 PolarHBondContact N-O 2.85Å; N66-I85 WeakPolarHBondContact O-CA 3.21Å; A67-I85 HydrophobicContact CB-CG1 4.2Å; I85-A103 HydrophobicContact CD1-CB 3.6Å; I85-V264 HydrophobicContact CD1-CG1 4.36Å
86D83.5Confident81.3Confident0 Ų024.7 Ų24.70%014%0.143CC..EExtended strand (participates in β ladder)trans-79.4129.9175.1-167.219.5000110.5K26 L50 T62 L65 N66K26-D86 WeakPolarHBondContact CD-OD1 3.29Å; K26-D86 WeakPolarHBondContact CE-OD1 3.45Å; K26-D86 WeakPolarHBondContact CG-OD1 3.29Å; L50-D86 HydrophobicContact CD1-CB 3.86Å; T62-D86 WeakPolarHBondContact CG2-OD2 3.28Å; L65-D86 WeakPolarHBondContact CA-O 3.41Å; N66-D86 PolarHBondContact O-N 3.06Å
87T78Confident80.7Confident0 Ų020.9 Ų20.90%012%0.123CC..  trans-114.7141.2-170.870.10000111.7I18 K26 S100I18-T87 PolarHBondContact O-OG1 3.05Å; K26-T87 WeakPolarHBondContact CD-O 3.49Å; K26-T87 WeakPolarHBondContact CE-O 3.45Å; K26-T87 PolarHBondContact NZ-O 2.93Å; T87-S100 VanDerWaalsContact CG2-CB 3.42Å
88P75.6Confident80.1Confident0 Ų019.9 Ų19.90%011%0.107CC..  trans-56.7145.8173.9-30.140000113.1T62 I63 F93 E96 V97T62-P88 WeakPolarHBondContact O-CA 3.5Å; T62-P88 WeakPolarHBondContact O-CB 3.18Å; I63-P88 WeakPolarHBondContact O-CG 3.32Å; P88-F93 HydrophobicContact CB-CB 3.42Å; P88-F93 VanDerWaalsContact CB-CB 3.42Å; P88-F93 HydrophobicContact CB-CD2 4.21Å; P88-F93 HydrophobicContact CB-CG 4.09Å; P88-F93 HydrophobicContact CG-CB 3.94Å; P88-E96 HydrophobicContact CG-CB 3.74Å; P88-E96 HydrophobicContact CG-CG 4.28Å; P88-V97 HydrophobicContact CB-CG2 4.3Å; P88-V97 WeakPolarHBondContact O-CG2 3.14Å
89G62.8Low79.5Confident7 Ų715.9 Ų15.97%0.0729%0.088CC..  trans-91.8-16.817900000114.2Q120G89-Q120 PolarHBondContact O-OE1 3.44Å
90H68.5Low78.9Confident35 Ų3510.9 Ų10.916%0.1626%0.061CC..SBendtrans-94.5146.4-167.6-164.6-76.7000112.6I22 D92 F93 L355I22-H90 HydrophobicContact CD1-CB 4.11Å; I22-H90 VanDerWaalsContact CD1-CD2 3.46Å; I22-H90 WeakPolarHBondContact CD1-CD2 3.06Å; H90-D92 VanDerWaalsContact C-N 3.33Å; H90-D92 IonicContact CE1-OD1 2.73Å; H90-D92 PolarHBondContact ND1-N 3.35Å; H90-D92 IonicContact ND1-OD1 3.06Å; H90-D92 PolarHBondContact O-N 3.05Å; H90-F93 HydrophobicContact CB-CD2 4.07Å; H90-F93 CarbonylContact O-C 3.59Å; H90-F93 PolarHBondContact O-N 2.92Å; H90-L355 HydrophobicContact CB-CD2 3.96Å; H90-L355 WeakPolarHBondContact CD2-CD2 3.28Å
91V62.6Low78.5Confident39 Ų3910.1 Ų10.124%0.2366%0.058CC..G310 helixtrans-58.2-39.1-177.770.90000113.7F93 T94V91-F93 PolarHBondContact O-N 2.8Å; V91-T94 WeakPolarHBondContact O-CB 3.47Å; V91-T94 PolarHBondContact O-N 3Å; V91-T94 PolarHBondContact O-OG1 3.09Å
92D67.2Low78Confident8 Ų810.2 Ų10.24%0.0436%0.061CC..G310 helixtrans-56.4-18.8173.6-73.825.2000114H90 L352 G353 L354 L355 H356H90-D92 VanDerWaalsContact C-N 3.33Å; H90-D92 IonicContact CE1-OD1 2.73Å; H90-D92 PolarHBondContact ND1-N 3.35Å; H90-D92 IonicContact ND1-OD1 3.06Å; H90-D92 PolarHBondContact O-N 3.05Å; D92-L352 WeakPolarHBondContact O-CD1 3.21Å; D92-G353 WeakPolarHBondContact OD2-CA 3.07Å; D92-L354 PolarHBondContact OD2-N 2.92Å; D92-L355 HydrophobicContact CB-CB 4.35Å; D92-L355 WeakPolarHBondContact OD2-CA 3.41Å; D92-L355 VanDerWaalsContact OD2-CB 3.31Å; D92-L355 WeakPolarHBondContact OD2-CB 3.35Å; D92-L355 PolarHBondContact OD2-N 2.88Å; D92-H356 HydrophobicContact CB-CB 4.12Å; D92-H356 PolarHBondContact OD2-N 2.77Å
93F71.9Confident77.5Confident3 Ų310.2 Ų10.21%0.0136%0.061CC..G310 helixtrans-114.521.1178.4-56-62.6000113.2I63 P88 H90 V91 Y95 E96 V97 L355 H356 V359I63-F93 HydrophobicContact CG1-CE2 4.34Å; I63-F93 HydrophobicContact CG2-CE1 4.23Å; I63-F93 HydrophobicContact CG2-CE2 4.45Å; I63-F93 HydrophobicContact CG2-CZ 3.98Å; P88-F93 HydrophobicContact CB-CB 3.42Å; P88-F93 VanDerWaalsContact CB-CB 3.42Å; P88-F93 HydrophobicContact CB-CD2 4.21Å; P88-F93 HydrophobicContact CB-CG 4.09Å; P88-F93 HydrophobicContact CG-CB 3.94Å; H90-F93 HydrophobicContact CB-CD2 4.07Å; H90-F93 CarbonylContact O-C 3.59Å; H90-F93 PolarHBondContact O-N 2.92Å; V91-F93 PolarHBondContact O-N 2.8Å; F93-Y95 PolarHBondContact O-N 2.8Å; F93-Y95 VanDerWaalsContact O-N 3.1Å; F93-E96 WeakPolarHBondContact CA-OE2 3.35Å; F93-E96 HydrophobicContact CB-CB 4.43Å; F93-E96 HydrophobicContact CB-CG 4.48Å; F93-E96 WeakPolarHBondContact CB-OE2 3.46Å; F93-E96 WeakPolarHBondContact O-CB 3.32Å; F93-E96 PolarHBondContact O-N 3.03Å; F93-E96 VanDerWaalsContact O-N 3.08Å; F93-V97 WeakPolarHBondContact O-CG2 3.48Å; F93-V97 PolarHBondContact O-N 2.82Å; F93-V97 VanDerWaalsContact O-N 3.15Å; F93-L355 HydrophobicContact CE2-CD2 3.82Å; F93-L355 HydrophobicContact CE2-CG 4.15Å; F93-L355 HydrophobicContact CZ-CG 4.5Å; F93-H356 HydrophobicContact CE1-CB 4.39Å; F93-V359 HydrophobicContact CZ-CB 4.38Å; F93-V359 HydrophobicContact CZ-CG1 4.42Å; F93-V359 HydrophobicContact CZ-CG2 4.08Å
94T69Low77.5Confident37 Ų3710.3 Ų10.323%0.2276%0.062CC..Hα-helixtrans-55.5-28.8175.6-66.10000112.2V91 V97 S98 L127V91-T94 WeakPolarHBondContact O-CB 3.47Å; V91-T94 PolarHBondContact O-N 3Å; V91-T94 PolarHBondContact O-OG1 3.09Å; T94-V97 PolarHBondContact O-N 3.04Å; T94-S98 WeakPolarHBondContact O-CB 3.15Å; T94-S98 PolarHBondContact O-N 2.95Å; T94-L127 HydrophobicContact CG2-CD1 3.68Å
95Y72.2Confident77.5Confident17 Ų1711.3 Ų11.37%0.0677%0.067CC..Hα-helixtrans-64.2-48.7175.4-174.1-113.4000112.1F93 V97 S98 R99 Y297 R298 M300 A331F93-Y95 PolarHBondContact O-N 2.8Å; F93-Y95 VanDerWaalsContact O-N 3.1Å; Y95-V97 VanDerWaalsContact C-N 3.27Å; Y95-V97 PolarHBondContact O-N 2.79Å; Y95-S98 PolarHBondContact O-N 2.94Å; Y95-R99 HydrophobicContact CD1-CG 4.48Å; Y95-R99 HydrophobicContact CE1-CG 4.19Å; Y95-R99 VanDerWaalsContact CE1-CZ 3.48Å; Y95-R99 VanDerWaalsContact CE1-NE 3.3Å; Y95-R99 HydrophobicContact CE2-CG 4.49Å; Y95-R99 VanDerWaalsContact O-CG 3.3Å; Y95-R99 WeakPolarHBondContact O-CG 3.5Å; Y95-R99 PolarHBondContact O-N 3.43Å; Y95-Y297 HydrophobicContact CE2-CG 4.5Å; Y95-Y297 VanDerWaalsContact OH-CB 3.28Å; Y95-Y297 WeakPolarHBondContact OH-CB 3.18Å; Y95-R298 WeakPolarHBondContact CE2-O 3.21Å; Y95-M300 HydrophobicContact CD2-CB 4.46Å; Y95-M300 HydrophobicContact CD2-CG 3.39Å; Y95-M300 HydrophobicContact CE2-CG 4.11Å; Y95-M300 HydrophobicContact CG-CG 3.85Å; Y95-A331 HydrophobicContact CE1-CB 3.99Å
96E74.2Confident77.8Confident9 Ų911.3 Ų11.34%0.0427%0.067CC..Hα-helixtrans-57.1-41.2173.8-70.559.5-131.500111.6P88 F93 R99 S100P88-E96 HydrophobicContact CG-CB 3.74Å; P88-E96 HydrophobicContact CG-CG 4.28Å; F93-E96 WeakPolarHBondContact CA-OE2 3.35Å; F93-E96 HydrophobicContact CB-CB 4.43Å; F93-E96 HydrophobicContact CB-CG 4.48Å; F93-E96 WeakPolarHBondContact CB-OE2 3.46Å; F93-E96 WeakPolarHBondContact O-CB 3.32Å; F93-E96 PolarHBondContact O-N 3.03Å; F93-E96 VanDerWaalsContact O-N 3.08Å; E96-R99 PolarHBondContact O-N 3.41Å; E96-R99 IonicContact OE1-CZ 2.59Å; E96-R99 IonicContact OE1-NH2 3.61Å; E96-R99 PolarHBondContact OE1-NH2 2.78Å; E96-S100 WeakPolarHBondContact O-CB 3.35Å; E96-S100 PolarHBondContact O-N 3.07Å; E96-S100 PolarHBondContact O-OG 2.85Å
97V77.4Confident78.3Confident1 Ų111.3 Ų11.31%0.0067%0.067CC..Hα-helixtrans-63-50.5177.8179.90000110.7P88 F93 T94 Y95 R99 S100 L101 L127P88-V97 HydrophobicContact CB-CG2 4.3Å; P88-V97 WeakPolarHBondContact O-CG2 3.14Å; F93-V97 WeakPolarHBondContact O-CG2 3.48Å; F93-V97 PolarHBondContact O-N 2.82Å; F93-V97 VanDerWaalsContact O-N 3.15Å; T94-V97 PolarHBondContact O-N 3.04Å; Y95-V97 VanDerWaalsContact C-N 3.27Å; Y95-V97 PolarHBondContact O-N 2.79Å; V97-R99 VanDerWaalsContact C-N 3.28Å; V97-R99 PolarHBondContact O-N 2.67Å; V97-S100 WeakPolarHBondContact O-CB 3.46Å; V97-S100 PolarHBondContact O-N 2.89Å; V97-S100 VanDerWaalsContact O-N 3.13Å; V97-L101 HydrophobicContact CG1-CD1 3.7Å; V97-L101 HydrophobicContact CG1-CG 4.21Å; V97-L101 WeakPolarHBondContact O-CG 3.48Å; V97-L101 PolarHBondContact O-N 3.01Å; V97-L127 HydrophobicContact CG1-CD1 4.38Å
98S78.8Confident79.1Confident36 Ų3611.3 Ų11.325%0.2527%0.067SC..Hα-helixtrans-58.3-40.6177.1177.50000111.9T94 Y95 S100 A102T94-S98 WeakPolarHBondContact O-CB 3.15Å; T94-S98 PolarHBondContact O-N 2.95Å; Y95-S98 PolarHBondContact O-N 2.94Å; S98-S100 VanDerWaalsContact C-N 3.33Å; S98-S100 PolarHBondContact O-N 2.78Å; S98-A102 WeakPolarHBondContact O-CB 3.14Å; S98-A102 PolarHBondContact O-N 3.38Å; S98-A102 VanDerWaalsContact O-N 3.1Å
99R77.7Confident79.9Confident2 Ų211.3 Ų11.31%0.0087%0.067CC..Hα-helixtrans-60.9-42.5176.2-70.7-168-76.4-179.60.4112.8Y95 E96 V97 V279 Y297Y95-R99 HydrophobicContact CD1-CG 4.48Å; Y95-R99 HydrophobicContact CE1-CG 4.19Å; Y95-R99 VanDerWaalsContact CE1-CZ 3.48Å; Y95-R99 VanDerWaalsContact CE1-NE 3.3Å; Y95-R99 HydrophobicContact CE2-CG 4.49Å; Y95-R99 VanDerWaalsContact O-CG 3.3Å; Y95-R99 WeakPolarHBondContact O-CG 3.5Å; Y95-R99 PolarHBondContact O-N 3.43Å; E96-R99 PolarHBondContact O-N 3.41Å; E96-R99 IonicContact OE1-CZ 2.59Å; E96-R99 IonicContact OE1-NH2 3.61Å; E96-R99 PolarHBondContact OE1-NH2 2.78Å; V97-R99 VanDerWaalsContact C-N 3.28Å; V97-R99 PolarHBondContact O-N 2.67Å; R99-V279 VanDerWaalsContact CD-CG1 3.46Å; R99-Y297 VanDerWaalsContact CA-CE1 3.48Å; R99-Y297 HydrophobicContact CB-CD1 4.47Å; R99-Y297 HydrophobicContact CB-CE1 3.95Å; R99-Y297 HydrophobicContact CB-CE2 4.12Å; R99-Y297 HydrophobicContact CG-CD1 3.79Å; R99-Y297 HydrophobicContact CG-CD2 3.64Å; R99-Y297 HydrophobicContact CG-CE1 3.73Å; R99-Y297 HydrophobicContact CG-CE2 3.58Å; R99-Y297 HydrophobicContact CG-CG 3.76Å; R99-Y297 PolarHBondContact O-OH 3.06Å; R99-Y297 VanDerWaalsContact O-OH 3.08Å
100S81.1Confident81.4Confident0 Ų011 Ų110%06%0.064CC..Hα-helixtrans-71.3-42.9-178.3-57.50000111.9T87 E96 V97 S98 A102 A103 C104T87-S100 VanDerWaalsContact CG2-CB 3.42Å; E96-S100 WeakPolarHBondContact O-CB 3.35Å; E96-S100 PolarHBondContact O-N 3.07Å; E96-S100 PolarHBondContact O-OG 2.85Å; V97-S100 WeakPolarHBondContact O-CB 3.46Å; V97-S100 PolarHBondContact O-N 2.89Å; V97-S100 VanDerWaalsContact O-N 3.13Å; S98-S100 VanDerWaalsContact C-N 3.33Å; S98-S100 PolarHBondContact O-N 2.78Å; S100-A102 VanDerWaalsContact C-N 3.32Å; S100-A102 PolarHBondContact O-N 2.85Å; S100-A103 WeakPolarHBondContact O-CB 3.44Å; S100-A103 PolarHBondContact O-N 2.78Å; S100-C104 PolarHBondContact O-SG 2.86Å
101L85.6Confident82.5Confident0 Ų09.3 Ų9.30%06%0.056CC..Hα-helixtrans-61.8-41.5177-71.5170000111.5S17 I19 V97 A103 C104 A107 L127 A128 L133S17-L101 WeakPolarHBondContact OG-CD2 3.36Å; I19-L101 HydrophobicContact CG2-CD2 3.81Å; V97-L101 HydrophobicContact CG1-CD1 3.7Å; V97-L101 HydrophobicContact CG1-CG 4.21Å; V97-L101 WeakPolarHBondContact O-CG 3.48Å; V97-L101 PolarHBondContact O-N 3.01Å; L101-A103 PolarHBondContact O-N 2.68Å; L101-C104 PolarHBondContact O-N 3.08Å; L101-A107 HydrophobicContact CD2-CB 4.08Å; L101-L127 HydrophobicContact CD1-CB 3.57Å; L101-A128 HydrophobicContact CD1-CB 4.5Å; L101-A128 HydrophobicContact CD2-CB 4.2Å; L101-L133 HydrophobicContact CB-CD1 3.86Å; L101-L133 HydrophobicContact CD2-CD1 3.48Å; L101-L133 VanDerWaalsContact CD2-CD1 3.48Å; L101-L133 HydrophobicContact CG-CD1 4.26Å
102A83.6Confident83.8Confident18 Ų187.6 Ų7.615%0.1495%0.045CC..THydrogen-bonded Turntrans-64.5-8.2175.100000113.8S98 S100 R220 Y297S98-A102 WeakPolarHBondContact O-CB 3.14Å; S98-A102 PolarHBondContact O-N 3.38Å; S98-A102 VanDerWaalsContact O-N 3.1Å; S100-A102 VanDerWaalsContact C-N 3.32Å; S100-A102 PolarHBondContact O-N 2.85Å; A102-R220 PolarHBondContact O-NH1 2.67Å; A102-Y297 HydrophobicContact CB-CE1 3.93Å
103A85.6Confident85.1Confident0 Ų07.2 Ų7.20%04%0.043CC..THydrogen-bonded Turntrans-99.51.6174.600000113.8I85 S100 L101 F205 R220I85-A103 HydrophobicContact CD1-CB 3.6Å; S100-A103 WeakPolarHBondContact O-CB 3.44Å; S100-A103 PolarHBondContact O-N 2.78Å; L101-A103 PolarHBondContact O-N 2.68Å; A103-F205 HydrophobicContact CB-CD1 4.29Å; A103-R220 VanDerWaalsContact CA-CD 3.48Å; A103-R220 HydrophobicContact CB-CB 4.33Å; A103-R220 VanDerWaalsContact O-CD 3.24Å; A103-R220 WeakPolarHBondContact O-CD 3.13Å; A103-R220 PolarHBondContact O-NE 2.74Å
104C91.7Very high85.8Confident4 Ų48.4 Ų8.43%0.0275%0.054CC..  trans-114.5171.2-174.5-65.70000112.7S17 S100 L101 G106 L133 R220S17-C104 PolarHBondContact N-SG 3.36Å; S100-C104 PolarHBondContact O-SG 2.86Å; L101-C104 PolarHBondContact O-N 3.08Å; C104-G106 WeakPolarHBondContact CB-O 3.49Å; C104-L133 HydrophobicContact CB-CD1 4.48Å; C104-L133 HydrophobicContact CB-CD2 4.35Å; C104-L133 WeakPolarHBondContact O-CD2 3.42Å; C104-R220 PolarHBondContact O-NH2 2.9Å
105E93.6Very high86.6Confident21 Ų219.9 Ų9.910%0.0986%0.058CC..SBendtrans-111.2-15.5166-85.881.6-165.300111.9N15 E134 V189 P190 P192 R220N15-E105 WeakPolarHBondContact CB-OE2 3.18Å; N15-E105 PolarHBondContact ND2-OE2 3.01Å; N15-E105 PolarHBondContact O-N 2.95Å; E105-E134 PolarHBondContact O-N 3.33Å; E105-V189 HydrophobicContact CB-CG1 4.02Å; E105-P190 HydrophobicContact CB-CG 4.03Å; E105-P190 HydrophobicContact CG-CG 4.35Å; E105-P192 VanDerWaalsContact OE1-CA 3.32Å; E105-P192 WeakPolarHBondContact OE1-CA 3.19Å; E105-P192 WeakPolarHBondContact OE1-CB 3.33Å; E105-R220 IonicContact OE1-CZ 2.75Å; E105-R220 IonicContact OE1-NH2 2.58Å; E105-R220 PolarHBondContact OE1-NH2 3.49Å; E105-R220 IonicContact OE2-NH2 3.75Å
106G93.7Very high87.2Confident0 Ų09 Ų90%06%0.055CC..EExtended strand (participates in β ladder)trans-145.7165176.400000113.6N15 F16 S17 C104 E134N15-G106 PolarHBondContact O-N 3.03Å; F16-G106 WeakPolarHBondContact CA-O 3.29Å; F16-G106 WeakPolarHBondContact CB-O 3.32Å; S17-G106 PolarHBondContact N-O 3.45Å; S17-G106 VanDerWaalsContact N-O 3.16Å; C104-G106 WeakPolarHBondContact CB-O 3.49Å; G106-E134 CarbonylContact C-O 3.52Å; G106-E134 WeakPolarHBondContact CA-O 3.49Å
107A93.7Very high87.5Confident1 Ų19 Ų91%0.0086%0.055CC..EExtended strand (participates in β ladder)trans-135.912617700000110.7S17 I19 L101 L109 A128 L133 E134 I135 L136S17-A107 CarbonylContact O-C 3.58Å; S17-A107 WeakPolarHBondContact O-CA 3.27Å; I19-A107 HydrophobicContact CD1-CB 3.91Å; I19-A107 HydrophobicContact CG1-CB 4.21Å; L101-A107 HydrophobicContact CD2-CB 4.08Å; A107-L109 PolarHBondContact O-N 3.43Å; A107-A128 HydrophobicContact CB-CB 4.22Å; A107-L133 HydrophobicContact CB-CD1 4.25Å; A107-E134 PolarHBondContact N-O 2.83Å; A107-I135 WeakPolarHBondContact O-CA 3.34Å; A107-L136 PolarHBondContact O-N 3.37Å
108V94.2Very high87.5Confident0 Ų09.5 Ų9.50%06%0.057CC..EExtended strand (participates in β ladder)trans-83.4109.8172.3-179.90000108F16 S17 I18 I19 L29 V110 V138 I185F16-V108 HydrophobicContact CD2-CG2 3.77Å; F16-V108 HydrophobicContact CE2-CG2 4.19Å; S17-V108 PolarHBondContact O-N 3.3Å; I18-V108 HydrophobicContact CG1-CB 4.36Å; I18-V108 HydrophobicContact CG2-CB 4.44Å; I19-V108 PolarHBondContact N-O 2.84Å; L29-V108 HydrophobicContact CD2-CG1 4.21Å; V108-V110 HydrophobicContact CG1-CG2 4.15Å; V108-V110 PolarHBondContact O-N 3.01Å; V108-V138 HydrophobicContact CG1-CB 4.24Å; V108-V138 HydrophobicContact CG1-CG2 3.55Å; V108-I185 HydrophobicContact CG2-CD1 4.06Å; V108-I185 HydrophobicContact CG2-CG1 4.27Å
109L93.1Very high86.9Confident0 Ų09.4 Ų9.40%06%0.058CC..EExtended strand (participates in β ladder)trans-88.5105.9-179.5177.766.1000110.3I19 A107 V111 T121 V125 I135 L136 V138 I160I19-L109 HydrophobicContact CD1-CD1 3.96Å; I19-L109 HydrophobicContact CG1-CB 4.34Å; I19-L109 HydrophobicContact CG1-CD1 3.9Å; A107-L109 PolarHBondContact O-N 3.43Å; L109-V111 HydrophobicContact CD2-CG2 4.36Å; L109-V111 HydrophobicContact CG-CG2 4.05Å; L109-T121 HydrophobicContact CD1-CG2 3.67Å; L109-T121 HydrophobicContact CG-CG2 4.46Å; L109-V125 HydrophobicContact CD1-CG2 3.48Å; L109-V125 VanDerWaalsContact CD1-CG2 3.48Å; L109-V125 HydrophobicContact CD2-CG2 3.65Å; L109-V125 HydrophobicContact CG-CG2 4.17Å; L109-I135 HydrophobicContact CB-CG2 3.76Å; L109-I135 HydrophobicContact CD2-CG2 4.15Å; L109-L136 PolarHBondContact N-O 3.05Å; L109-V138 PolarHBondContact O-N 3.13Å; L109-I160 HydrophobicContact CD2-CD1 3.78Å
110V93Very high86.5Confident0 Ų09.9 Ų9.90%06%0.061CC..EExtended strand (participates in β ladder)trans-94.7117.7-178.4-172.90000110.7I18 I19 A20 H24 L29 V108 V138 N140I18-V110 HydrophobicContact CG2-CG2 3.41Å; I18-V110 VanDerWaalsContact CG2-CG2 3.41Å; I19-V110 PolarHBondContact O-N 3.11Å; A20-V110 HydrophobicContact CB-CB 3.82Å; H24-V110 HydrophobicContact CB-CG1 4.46Å; H24-V110 PolarHBondContact ND1-O 3.46Å; H24-V110 WeakPolarHBondContact O-CG1 3.49Å; L29-V110 HydrophobicContact CD2-CG2 3.48Å; L29-V110 VanDerWaalsContact CD2-CG2 3.48Å; V108-V110 HydrophobicContact CG1-CG2 4.15Å; V108-V110 PolarHBondContact O-N 3.01Å; V110-V138 WeakPolarHBondContact CA-O 3.28Å; V110-N140 HydrophobicContact CG1-CB 3.6Å
111V91.6Very high86.2Confident0 Ų09.9 Ų9.90%06%0.061CC..EExtended strand (participates in β ladder)trans-118129.7178.5-1690000109.2L109 A113 G116 I117 T121 V138 I139 N140 V152 I156L109-V111 HydrophobicContact CD2-CG2 4.36Å; L109-V111 HydrophobicContact CG-CG2 4.05Å; V111-A113 PolarHBondContact O-N 3.45Å; V111-G116 VanDerWaalsContact CG1-C 3.43Å; V111-G116 VanDerWaalsContact CG1-O 3.23Å; V111-G116 WeakPolarHBondContact CG1-O 3.16Å; V111-I117 HydrophobicContact CG1-CG1 4.27Å; V111-T121 HydrophobicContact CG2-CG2 4.19Å; V111-V138 PolarHBondContact N-O 3.15Å; V111-I139 CarbonylContact O-C 3.5Å; V111-I139 WeakPolarHBondContact O-CA 3.42Å; V111-N140 PolarHBondContact O-N 3.01Å; V111-V152 HydrophobicContact CB-CG1 4.09Å; V111-V152 HydrophobicContact CG1-CG1 3.51Å; V111-I156 HydrophobicContact CB-CD1 4.36Å; V111-I156 HydrophobicContact CG2-CD1 3.98Å; V111-I156 HydrophobicContact CG2-CG1 4.33Å
112D91.7Very high85.6Confident2 Ų211.9 Ų11.91%0.0117%0.071CC..EExtended strand (participates in β ladder)trans-69.7125.9177.3-174.9-36.9000109.9H24 A114 Q115 G116 K141H24-D112 HydrophobicContact CB-CB 4.39Å; H24-D112 PolarHBondContact ND1-N 2.87Å; D112-A114 PolarHBondContact O-N 2.97Å; D112-A114 WeakPolarHBondContact OD1-CB 3.28Å; D112-A114 PolarHBondContact OD1-N 2.89Å; D112-Q115 HydrophobicContact CB-CB 4.05Å; D112-Q115 HydrophobicContact CB-CG 4.27Å; D112-Q115 PolarHBondContact O-N 2.98Å; D112-Q115 PolarHBondContact OD1-N 2.92Å; D112-G116 PolarHBondContact O-N 3.16Å; D112-K141 VanDerWaalsContact OD2-CD 3.28Å; D112-K141 WeakPolarHBondContact OD2-CD 3.39Å; D112-K141 VanDerWaalsContact OD2-CE 3.23Å; D112-K141 WeakPolarHBondContact OD2-CE 3.37Å; D112-K141 IonicContact OD2-NZ 3.6Å; D112-K141 PolarHBondContact OD2-NZ 2.86Å
113A92.9Very high84.8Confident0 Ų013 Ų130%08%0.08CC..THydrogen-bonded Turntrans-61.9-22.8-179.600000113.8V111 I139 N140 I142 A147 D148 P149V111-A113 PolarHBondContact O-N 3.45Å; A113-I139 HydrophobicContact CB-CG2 3.6Å; A113-N140 WeakPolarHBondContact CB-O 3.49Å; A113-N140 PolarHBondContact N-O 3.3Å; A113-I142 HydrophobicContact CB-CG2 4.31Å; A113-A147 HydrophobicContact CB-CB 3.65Å; A113-D148 PolarHBondContact O-N 3.1Å; A113-P149 HydrophobicContact CB-CG 4.4Å
114A87.7Confident84.5Confident29 Ų2913.1 Ų13.124%0.248%0.081CC..THydrogen-bonded Turntrans-89.8-42.2177.200000111.7D112 L144 A146 R151D112-A114 PolarHBondContact O-N 2.97Å; D112-A114 WeakPolarHBondContact OD1-CB 3.28Å; D112-A114 PolarHBondContact OD1-N 2.89Å; A114-L144 HydrophobicContact CB-CD1 4.38Å; A114-A146 HydrophobicContact CB-CB 4.21Å; A114-R151 PolarHBondContact O-NH2 3.08Å; A114-R151 VanDerWaalsContact O-NH2 3.16Å
115Q84.5Confident84Confident67 Ų6713 Ų1331%0.3138%0.08SC..THydrogen-bonded Turntrans-84.4-44.5-176.9-54.8-178.8200111.7H24 D112 R151 R448H24-Q115 PolarHBondContact NE2-OE1 2.81Å; D112-Q115 HydrophobicContact CB-CB 4.05Å; D112-Q115 HydrophobicContact CB-CG 4.27Å; D112-Q115 PolarHBondContact O-N 2.98Å; D112-Q115 PolarHBondContact OD1-N 2.92Å; Q115-R151 PolarHBondContact O-NH2 3.16Å; Q115-R448 PolarHBondContact O-NH1 3.09Å; Q115-R448 PolarHBondContact O-NH2 2.79Å
116G84.8Confident83.1Confident0 Ų018.5 Ų18.50%010%0.101CC..BIsolated β-bridgetrans82.2-149.1-172.700000111.8H24 V111 D112H24-G116 PolarHBondContact CE1-O 3.18Å; H24-G116 VanDerWaalsContact CE1-O 3.23Å; V111-G116 VanDerWaalsContact CG1-C 3.43Å; V111-G116 VanDerWaalsContact CG1-O 3.23Å; V111-G116 WeakPolarHBondContact CG1-O 3.16Å; D112-G116 PolarHBondContact O-N 3.16Å
117I81.1Confident82.4Confident9 Ų920.1 Ų20.15%0.04611%0.109CC..  trans-85.1133-171-60.3175.8000110.2V111 T121 L122 E155 I156 V159 I160V111-I117 HydrophobicContact CG1-CG1 4.27Å; I117-T121 HydrophobicContact CG2-CG2 4.23Å; I117-L122 HydrophobicContact CG2-CD1 4.22Å; I117-L122 HydrophobicContact CG2-CD2 4.01Å; I117-L122 HydrophobicContact CG2-CG 3.74Å; I117-E155 HydrophobicContact CB-CG 4.38Å; I117-E155 WeakPolarHBondContact CB-OE1 3.09Å; I117-E155 VanDerWaalsContact CD1-C 3.46Å; I117-E155 HydrophobicContact CD1-CB 4.14Å; I117-E155 HydrophobicContact CD1-CG 3.98Å; I117-E155 VanDerWaalsContact CD1-O 3.3Å; I117-E155 WeakPolarHBondContact CD1-O 3.3Å; I117-E155 HydrophobicContact CG1-CB 4.44Å; I117-E155 HydrophobicContact CG1-CG 4.15Å; I117-E155 PolarHBondContact N-OE1 3.26Å; I117-I156 HydrophobicContact CD1-CB 4.42Å; I117-I156 HydrophobicContact CD1-CG1 3.95Å; I117-I156 HydrophobicContact CG1-CG1 4.35Å; I117-V159 HydrophobicContact CD1-CB 4.1Å; I117-I160 HydrophobicContact CD1-CD1 3.58Å; I117-I160 HydrophobicContact CD1-CG1 3.93Å; I117-I160 HydrophobicContact CG1-CD1 4.32Å
118E78.5Confident82Confident11 Ų1120 Ų205%0.05111%0.109CC..  trans-118.7165.2-179.8-65.8-72.8154.700109H21 Q120 T121 L122 M418 R448H21-E118 HydrophobicContact CB-CB 3.98Å; H21-E118 HydrophobicContact CB-CG 4.42Å; E118-Q120 VanDerWaalsContact C-N 3.3Å; E118-Q120 PolarHBondContact O-N 3.29Å; E118-T121 VanDerWaalsContact O-CB 3.26Å; E118-T121 WeakPolarHBondContact O-CB 3.44Å; E118-T121 PolarHBondContact O-N 2.92Å; E118-L122 PolarHBondContact O-N 2.87Å; E118-M418 VanDerWaalsContact CD-SD 3.54Å; E118-M418 WeakPolarHBondContact OE2-CE 3.44Å; E118-R448 IonicContact OE1-NH1 2.95Å; E118-R448 PolarHBondContact OE1-NH1 3.29Å
119A65Low81.5Confident33 Ų3323.8 Ų23.827%0.27313%0.128SC..Hα-helixtrans-57.1-40.9-175.100000113.2T121 L122 A123 D479A119-T121 VanDerWaalsContact C-N 3.34Å; A119-T121 PolarHBondContact O-N 3.47Å; A119-L122 PolarHBondContact O-N 2.94Å; A119-A123 PolarHBondContact O-N 3.41Å; A119-D479 HydrophobicContact CB-CB 4.18Å
120Q68.9Low80.8Confident12 Ų1230 Ų306%0.05616%0.162CC..Hα-helixtrans-71-29.7179.5-63.3173-19.100112.5H21 G89 E118 L122 A123 N124H21-Q120 PolarHBondContact CE1-OE1 3.34Å; H21-Q120 WeakPolarHBondContact ND1-CB 3.35Å; H21-Q120 PolarHBondContact ND1-OE1 3.08Å; G89-Q120 PolarHBondContact O-OE1 3.44Å; E118-Q120 VanDerWaalsContact C-N 3.3Å; E118-Q120 PolarHBondContact O-N 3.29Å; Q120-L122 VanDerWaalsContact C-N 3.3Å; Q120-L122 PolarHBondContact O-N 3.05Å; Q120-A123 PolarHBondContact O-N 3.24Å; Q120-N124 WeakPolarHBondContact O-CB 3.26Å; Q120-N124 VanDerWaalsContact O-CG 3.26Å; Q120-N124 PolarHBondContact O-N 2.78Å; Q120-N124 PolarHBondContact O-ND2 3.07Å
121T75.3Confident80.2Confident0 Ų032.5 Ų32.50%018%0.175CC..Hα-helixtrans-58.3-47.8171.9-54.30000109.4L109 V111 I117 E118 A119 N124 V125L109-T121 HydrophobicContact CD1-CG2 3.67Å; L109-T121 HydrophobicContact CG-CG2 4.46Å; V111-T121 HydrophobicContact CG2-CG2 4.19Å; I117-T121 HydrophobicContact CG2-CG2 4.23Å; E118-T121 VanDerWaalsContact O-CB 3.26Å; E118-T121 WeakPolarHBondContact O-CB 3.44Å; E118-T121 PolarHBondContact O-N 2.92Å; A119-T121 VanDerWaalsContact C-N 3.34Å; A119-T121 PolarHBondContact O-N 3.47Å; T121-N124 PolarHBondContact O-N 2.95Å; T121-V125 WeakPolarHBondContact O-CB 3.44Å; T121-V125 WeakPolarHBondContact O-CG2 3.48Å; T121-V125 PolarHBondContact O-N 3.37Å
122L72.7Confident79.9Confident42 Ų4239.9 Ų39.922%0.2222%0.215CC..Hα-helixtrans-63.8-47177.3-68.8169000112.2I117 E118 A119 Q120 N124 V125 Y126 V159 I160I117-L122 HydrophobicContact CG2-CD1 4.22Å; I117-L122 HydrophobicContact CG2-CD2 4.01Å; I117-L122 HydrophobicContact CG2-CG 3.74Å; E118-L122 PolarHBondContact O-N 2.87Å; A119-L122 PolarHBondContact O-N 2.94Å; Q120-L122 VanDerWaalsContact C-N 3.3Å; Q120-L122 PolarHBondContact O-N 3.05Å; L122-N124 VanDerWaalsContact C-N 3.32Å; L122-N124 PolarHBondContact O-N 3.44Å; L122-V125 PolarHBondContact O-N 3.38Å; L122-Y126 HydrophobicContact CB-CD2 4.49Å; L122-Y126 HydrophobicContact CB-CE2 4.17Å; L122-Y126 WeakPolarHBondContact O-CD2 3.49Å; L122-Y126 PolarHBondContact O-N 3.11Å; L122-V159 HydrophobicContact CD1-CG1 4.11Å; L122-V159 HydrophobicContact CD2-CG1 3.75Å; L122-I160 HydrophobicContact CD2-CG1 3.71Å
123A67.4Low79.9Confident41 Ų4140.4 Ų40.434%0.33922%0.217SC..Hα-helixtrans-57-45.7178.700000112A119 Q120 Y126 L127A119-A123 PolarHBondContact O-N 3.41Å; Q120-A123 PolarHBondContact O-N 3.24Å; A123-Y126 PolarHBondContact O-N 2.93Å; A123-L127 WeakPolarHBondContact O-CG 3.5Å; A123-L127 PolarHBondContact O-N 3.35Å; A123-L127 VanDerWaalsContact O-N 3.11Å
124N79.3Confident80Confident4 Ų444.7 Ų44.72%0.02124%0.237CC..Hα-helixtrans-68.4-35.7179-70-22.9000112.7I19 Q120 T121 L122 L127 A128I19-N124 HydrophobicContact CB-CB 4.04Å; I19-N124 HydrophobicContact CD1-CB 4.25Å; I19-N124 HydrophobicContact CG2-CB 4.35Å; Q120-N124 WeakPolarHBondContact O-CB 3.26Å; Q120-N124 VanDerWaalsContact O-CG 3.26Å; Q120-N124 PolarHBondContact O-N 2.78Å; Q120-N124 PolarHBondContact O-ND2 3.07Å; T121-N124 PolarHBondContact O-N 2.95Å; L122-N124 VanDerWaalsContact C-N 3.32Å; L122-N124 PolarHBondContact O-N 3.44Å; N124-L127 PolarHBondContact O-N 2.79Å; N124-A128 PolarHBondContact O-N 2.87Å
125V82Confident80.2Confident2 Ų243.9 Ų43.91%0.01223%0.229CC..Hα-helixtrans-63.8-45.6174164.70000111.1I19 L109 T121 L122 L127 A128 L129 I135 I160I19-V125 HydrophobicContact CD1-CG2 4.44Å; L109-V125 HydrophobicContact CD1-CG2 3.48Å; L109-V125 VanDerWaalsContact CD1-CG2 3.48Å; L109-V125 HydrophobicContact CD2-CG2 3.65Å; L109-V125 HydrophobicContact CG-CG2 4.17Å; T121-V125 WeakPolarHBondContact O-CB 3.44Å; T121-V125 WeakPolarHBondContact O-CG2 3.48Å; T121-V125 PolarHBondContact O-N 3.37Å; L122-V125 PolarHBondContact O-N 3.38Å; V125-L127 VanDerWaalsContact C-N 3.28Å; V125-L127 PolarHBondContact O-N 2.81Å; V125-A128 WeakPolarHBondContact O-CB 3.19Å; V125-A128 PolarHBondContact O-N 3.34Å; V125-A128 VanDerWaalsContact O-N 3.07Å; V125-L129 HydrophobicContact CG1-CD1 3.99Å; V125-L129 HydrophobicContact CG1-CG 4.33Å; V125-L129 WeakPolarHBondContact O-CG 3.31Å; V125-L129 PolarHBondContact O-N 3Å; V125-I135 HydrophobicContact CG1-CD1 4.12Å; V125-I160 HydrophobicContact CG1-CG2 3.56Å; V125-I160 HydrophobicContact CG2-CD1 4.21Å
126Y73.6Confident80.7Confident136 Ų13640.9 Ų40.953%0.53322%0.215SC..Hα-helixtrans-60.1-40.5176-72.4-60.1000111.7L122 A123 A128 L129 D130L122-Y126 HydrophobicContact CB-CD2 4.49Å; L122-Y126 HydrophobicContact CB-CE2 4.17Å; L122-Y126 WeakPolarHBondContact O-CD2 3.49Å; L122-Y126 PolarHBondContact O-N 3.11Å; A123-Y126 PolarHBondContact O-N 2.93Å; Y126-A128 VanDerWaalsContact C-N 3.32Å; Y126-A128 PolarHBondContact O-N 2.86Å; Y126-L129 HydrophobicContact CD1-CD1 4.5Å; Y126-L129 PolarHBondContact O-N 2.85Å; Y126-D130 WeakPolarHBondContact O-CB 3.47Å; Y126-D130 PolarHBondContact O-N 3.16Å
127L78.8Confident81.1Confident33 Ų3341.3 Ų41.317%0.17322%0.218CC..Hα-helixtrans-63.5-36.7174-67.2169000112.6T94 V97 L101 A123 N124 V125 N131T94-L127 HydrophobicContact CG2-CD1 3.68Å; V97-L127 HydrophobicContact CG1-CD1 4.38Å; L101-L127 HydrophobicContact CD1-CB 3.57Å; A123-L127 WeakPolarHBondContact O-CG 3.5Å; A123-L127 PolarHBondContact O-N 3.35Å; A123-L127 VanDerWaalsContact O-N 3.11Å; N124-L127 PolarHBondContact O-N 2.79Å; V125-L127 VanDerWaalsContact C-N 3.28Å; V125-L127 PolarHBondContact O-N 2.81Å; L127-N131 PolarHBondContact O-N 2.82Å; L127-N131 PolarHBondContact O-ND2 2.79Å
128A85.4Confident81.8Confident0 Ų040.9 Ų40.90%022%0.216CC..Hα-helixtrans-68.8-41.8176.400000111.6I19 L101 A107 N124 V125 Y126 N131 D132 L133 I135I19-A128 HydrophobicContact CD1-CB 4.14Å; L101-A128 HydrophobicContact CD1-CB 4.5Å; L101-A128 HydrophobicContact CD2-CB 4.2Å; A107-A128 HydrophobicContact CB-CB 4.22Å; N124-A128 PolarHBondContact O-N 2.87Å; V125-A128 WeakPolarHBondContact O-CB 3.19Å; V125-A128 PolarHBondContact O-N 3.34Å; V125-A128 VanDerWaalsContact O-N 3.07Å; Y126-A128 VanDerWaalsContact C-N 3.32Å; Y126-A128 PolarHBondContact O-N 2.86Å; A128-N131 CarbonylContact O-C 3.52Å; A128-N131 PolarHBondContact O-N 2.83Å; A128-N131 VanDerWaalsContact O-N 3.16Å; A128-D132 PolarHBondContact O-N 3.06Å; A128-L133 HydrophobicContact CB-CB 4.38Å; A128-L133 HydrophobicContact CB-CD1 4.16Å; A128-L133 WeakPolarHBondContact O-CB 3.12Å; A128-L133 PolarHBondContact O-N 3.25Å; A128-L133 VanDerWaalsContact O-N 3.1Å; A128-I135 HydrophobicContact CB-CD1 3.91Å; A128-I135 HydrophobicContact CB-CG1 4.11Å
129L83.4Confident82.6Confident78 Ų7840.4 Ų40.441%0.40821%0.213SC..Hα-helixtrans-64-41174.8-69.4173.2000112V125 Y126 N131 D132 I135V125-L129 HydrophobicContact CG1-CD1 3.99Å; V125-L129 HydrophobicContact CG1-CG 4.33Å; V125-L129 WeakPolarHBondContact O-CG 3.31Å; V125-L129 PolarHBondContact O-N 3Å; Y126-L129 HydrophobicContact CD1-CD1 4.5Å; Y126-L129 PolarHBondContact O-N 2.85Å; L129-N131 PolarHBondContact O-N 3.36Å; L129-N131 VanDerWaalsContact O-N 3.16Å; L129-D132 PolarHBondContact O-N 2.89Å; L129-I135 HydrophobicContact CD2-CD1 3.74Å; L129-I135 HydrophobicContact CG-CD1 3.85Å
130D78.2Confident84Confident131 Ų13138.9 Ų38.970%0.70120%0.201SC*.THydrogen-bonded Turntrans-62.7-18.8175.1-79.8-10.5000113Y126Y126-D130 WeakPolarHBondContact O-CB 3.47Å; Y126-D130 PolarHBondContact O-N 3.16Å
131N81.5Confident85.2Confident53 Ų5340.5 Ų40.528%0.28321%0.207SC..THydrogen-bonded Turntrans-103.712.5175.4-74.7-87.5000112.8L127 A128 L129 L133L127-N131 PolarHBondContact O-N 2.82Å; L127-N131 PolarHBondContact O-ND2 2.79Å; A128-N131 CarbonylContact O-C 3.52Å; A128-N131 PolarHBondContact O-N 2.83Å; A128-N131 VanDerWaalsContact O-N 3.16Å; L129-N131 PolarHBondContact O-N 3.36Å; L129-N131 VanDerWaalsContact O-N 3.16Å; N131-L133 HydrophobicContact CB-CD1 4.28Å; N131-L133 HydrophobicContact CB-CD2 4.25Å; N131-L133 HydrophobicContact CB-CG 3.85Å; N131-L133 PolarHBondContact O-N 2.89Å
132D86.3Confident86.1Confident155 Ų15542.9 Ų42.983%0.82922%0.22SC*.THydrogen-bonded Turntrans51.736-179.5-62.7-56.5000113.2A128 L129A128-D132 PolarHBondContact O-N 3.06Å; L129-D132 PolarHBondContact O-N 2.89Å
133L91.7Very high87Confident13 Ų1343.7 Ų43.77%0.06822%0.224CC..PPolyproline II helixtrans-81.9144.1-178.6-57.9-176.4000111.8L101 C104 A107 A128 N131 I135L101-L133 HydrophobicContact CB-CD1 3.86Å; L101-L133 HydrophobicContact CD2-CD1 3.48Å; L101-L133 VanDerWaalsContact CD2-CD1 3.48Å; L101-L133 HydrophobicContact CG-CD1 4.26Å; C104-L133 HydrophobicContact CB-CD1 4.48Å; C104-L133 HydrophobicContact CB-CD2 4.35Å; C104-L133 WeakPolarHBondContact O-CD2 3.42Å; A107-L133 HydrophobicContact CB-CD1 4.25Å; A128-L133 HydrophobicContact CB-CB 4.38Å; A128-L133 HydrophobicContact CB-CD1 4.16Å; A128-L133 WeakPolarHBondContact O-CB 3.12Å; A128-L133 PolarHBondContact O-N 3.25Å; A128-L133 VanDerWaalsContact O-N 3.1Å; N131-L133 HydrophobicContact CB-CD1 4.28Å; N131-L133 HydrophobicContact CB-CD2 4.25Å; N131-L133 HydrophobicContact CB-CG 3.85Å; N131-L133 PolarHBondContact O-N 2.89Å; L133-I135 PolarHBondContact O-N 2.8Å
134E93.7Very high88.1Confident89 Ų8944.8 Ų44.842%0.41622%0.224SC..EExtended strand (participates in β ladder)trans-71.4118.3168.5-17366.1-162.100109.9E105 G106 A107 L136 N188E105-E134 PolarHBondContact O-N 3.33Å; G106-E134 CarbonylContact C-O 3.52Å; G106-E134 WeakPolarHBondContact CA-O 3.49Å; A107-E134 PolarHBondContact N-O 2.83Å; E134-L136 HydrophobicContact CG-CD2 4.17Å; E134-N188 HydrophobicContact CG-CB 4.35Å
135I92.5Very high88.4Confident12 Ų1251.3 Ų51.36%0.06227%0.267CS..EExtended strand (participates in β ladder)trans-99.1121.1-176.3-59.8173.2000110A107 L109 V125 A128 L129 L133 P137 I162A107-I135 WeakPolarHBondContact O-CA 3.34Å; L109-I135 HydrophobicContact CB-CG2 3.76Å; L109-I135 HydrophobicContact CD2-CG2 4.15Å; V125-I135 HydrophobicContact CG1-CD1 4.12Å; A128-I135 HydrophobicContact CB-CD1 3.91Å; A128-I135 HydrophobicContact CB-CG1 4.11Å; L129-I135 HydrophobicContact CD2-CD1 3.74Å; L129-I135 HydrophobicContact CG-CD1 3.85Å; L133-I135 PolarHBondContact O-N 2.8Å; I135-P137 WeakPolarHBondContact O-CD 3.41Å; I135-I162 HydrophobicContact CB-CD1 3.78Å; I135-I162 HydrophobicContact CD1-CD1 3.77Å; I135-I162 HydrophobicContact CG1-CD1 4.37Å; I135-I162 HydrophobicContact CG2-CD1 3.59Å
136L93.9Very high88.8Confident4 Ų454.8 Ų54.82%0.02130%0.296CS..EExtended strand (participates in β ladder)trans-105.6106.2179.3-57.5-176000110.6A107 L109 E134 V138 Q184 I185 N188 V189A107-L136 PolarHBondContact O-N 3.37Å; L109-L136 PolarHBondContact N-O 3.05Å; E134-L136 HydrophobicContact CG-CD2 4.17Å; L136-V138 PolarHBondContact O-N 2.98Å; L136-Q184 HydrophobicContact CD1-CB 4.28Å; L136-I185 HydrophobicContact CD1-CB 4.5Å; L136-I185 HydrophobicContact CD1-CG1 3.8Å; L136-N188 HydrophobicContact CD2-CB 3.65Å; L136-V189 HydrophobicContact CD1-CG2 3.77Å; L136-V189 HydrophobicContact CG-CG2 4.41Å
137P94.1Very high89.6Confident10 Ų1049.5 Ų49.57%0.06528%0.28CS..EExtended strand (participates in β ladder)trans-72127.2179.827.8-32.4000111.8I135 I156 I162 A167 V168I135-P137 WeakPolarHBondContact O-CD 3.41Å; P137-I156 HydrophobicContact CB-CD1 4.25Å; P137-I156 HydrophobicContact CB-CG2 4.41Å; P137-I162 HydrophobicContact CG-CG2 4.36Å; P137-A167 HydrophobicContact CB-CB 3.95Å; P137-A167 HydrophobicContact CG-CB 3.88Å; P137-A167 WeakPolarHBondContact O-CA 3.32Å; P137-V168 PolarHBondContact O-N 2.85Å
138V95Very high90.2Very high0 Ų051.4 Ų51.40%029%0.291CS..EExtended strand (participates in β ladder)trans-125121.4175.5176.30000109.2V108 L109 V110 V111 L136 A170 I181V108-V138 HydrophobicContact CG1-CB 4.24Å; V108-V138 HydrophobicContact CG1-CG2 3.55Å; L109-V138 PolarHBondContact O-N 3.13Å; V110-V138 WeakPolarHBondContact CA-O 3.28Å; V111-V138 PolarHBondContact N-O 3.15Å; L136-V138 PolarHBondContact O-N 2.98Å; V138-A170 HydrophobicContact CG1-CB 3.85Å; V138-I181 HydrophobicContact CB-CD1 4.47Å; V138-I181 HydrophobicContact CG1-CD1 3.63Å; V138-I181 HydrophobicContact CG1-CG1 4.28Å; V138-I181 HydrophobicContact CG2-CD1 3.95Å; V138-I181 HydrophobicContact CG2-CG1 3.82Å
139I95.5Very high90.5Very high0 Ų052.9 Ų52.90%030%0.3CS..EExtended strand (participates in β ladder)trans-96.9104.8177.2-62.4173.4000107.9V111 A113 P149 V152 R153 I156 A167 V168 L169 A170V111-I139 CarbonylContact O-C 3.5Å; V111-I139 WeakPolarHBondContact O-CA 3.42Å; A113-I139 HydrophobicContact CB-CG2 3.6Å; I139-P149 HydrophobicContact CG2-CB 4.06Å; I139-V152 HydrophobicContact CD1-CB 4.33Å; I139-V152 HydrophobicContact CD1-CG1 4.14Å; I139-V152 HydrophobicContact CG1-CG1 4.07Å; I139-V152 HydrophobicContact CG2-CG1 4.41Å; I139-R153 HydrophobicContact CD1-CB 4.29Å; I139-R153 HydrophobicContact CD1-CG 3.28Å; I139-I156 HydrophobicContact CD1-CD1 4.39Å; I139-I156 HydrophobicContact CG1-CD1 4.18Å; I139-A167 HydrophobicContact CD1-CB 4.16Å; I139-A167 HydrophobicContact CG1-CB 4.4Å; I139-V168 PolarHBondContact N-O 2.89Å; I139-L169 HydrophobicContact CB-CD2 3.89Å; I139-L169 HydrophobicContact CD1-CD2 4.03Å; I139-L169 HydrophobicContact CG1-CD2 4.48Å; I139-L169 HydrophobicContact CG2-CD2 4.24Å; I139-A170 PolarHBondContact O-N 2.75Å
140N95.7Very high90.9Very high2 Ų255.3 Ų55.31%0.01131%0.309CS..EExtended strand (participates in β ladder)trans-95.3167.6-172.5-167.623.3000112.3H24 V110 V111 A113 I142 A170 A172H24-N140 PolarHBondContact O-ND2 2.74Å; V110-N140 HydrophobicContact CG1-CB 3.6Å; V111-N140 PolarHBondContact O-N 3.01Å; A113-N140 WeakPolarHBondContact CB-O 3.49Å; A113-N140 PolarHBondContact N-O 3.3Å; N140-I142 VanDerWaalsContact C-N 3.33Å; N140-I142 PolarHBondContact O-N 3.16Å; N140-A170 CarbonylContact C-O 3.54Å; N140-A170 VanDerWaalsContact C-O 3.32Å; N140-A170 VanDerWaalsContact CA-O 3.24Å; N140-A170 WeakPolarHBondContact CA-O 3.36Å; N140-A170 PolarHBondContact OD1-O 2.93Å; N140-A172 PolarHBondContact OD1-N 2.76Å
141K93.9Very high91.5Very high45 Ų4552.7 Ų52.720%0.19629%0.29CS..  trans61.434.8177.9-49.4-166.3-164.4163.10114.7D23 D112 D143 L144 A170D23-K141 WeakPolarHBondContact O-CE 3.33Å; D23-K141 PolarHBondContact O-NZ 3.1Å; D112-K141 VanDerWaalsContact OD2-CD 3.28Å; D112-K141 WeakPolarHBondContact OD2-CD 3.39Å; D112-K141 VanDerWaalsContact OD2-CE 3.23Å; D112-K141 WeakPolarHBondContact OD2-CE 3.37Å; D112-K141 IonicContact OD2-NZ 3.6Å; D112-K141 PolarHBondContact OD2-NZ 2.86Å; K141-D143 WeakPolarHBondContact CA-OD1 3.44Å; K141-D143 PolarHBondContact O-N 2.99Å; K141-L144 HydrophobicContact CB-CD1 3.81Å; K141-L144 HydrophobicContact CB-CG 4.06Å; K141-L144 HydrophobicContact CD-CD1 3.78Å; K141-L144 HydrophobicContact CG-CD1 4.49Å; K141-L144 WeakPolarHBondContact O-CB 3.46Å; K141-L144 PolarHBondContact O-N 2.74Å; K141-A170 PolarHBondContact N-O 3.21Å
142I93.6Very high92Very high51 Ų5150.1 Ų50.126%0.26228%0.276SS..THydrogen-bonded Turntrans-61.9-10.9173.967.3177.2000113.8A113 N140 L144 P149 L169 A170 I176A113-I142 HydrophobicContact CB-CG2 4.31Å; N140-I142 VanDerWaalsContact C-N 3.33Å; N140-I142 PolarHBondContact O-N 3.16Å; I142-L144 VanDerWaalsContact C-N 3.28Å; I142-P149 HydrophobicContact CG2-CG 4.09Å; I142-L169 HydrophobicContact CD1-CB 4.21Å; I142-L169 HydrophobicContact CG2-CB 4.24Å; I142-A170 WeakPolarHBondContact CG1-O 3.19Å; I142-A170 PolarHBondContact N-O 3.01Å; I142-I176 HydrophobicContact CD1-CG2 4.1Å
143D91.4Very high92.3Very high59 Ų5945.3 Ų45.332%0.31625%0.246SC..THydrogen-bonded Turntrans-75.8-14174.461.7-71.9000113.6K141 S171 T174K141-D143 WeakPolarHBondContact CA-OD1 3.44Å; K141-D143 PolarHBondContact O-N 2.99Å; D143-S171 VanDerWaalsContact CG-OG 3.27Å; D143-S171 WeakPolarHBondContact OD1-CB 3.37Å; D143-S171 PolarHBondContact OD1-OG 3.49Å; D143-T174 HydrophobicContact CB-CG2 4.32Å
144L89.9Confident92.2Very high63 Ų6350.6 Ų50.633%0.3327%0.269SS..SBendtrans-75.3138.8-179.6-66.2-179.7000111.5A114 K141 I142 A146 A147A114-L144 HydrophobicContact CB-CD1 4.38Å; K141-L144 HydrophobicContact CB-CD1 3.81Å; K141-L144 HydrophobicContact CB-CG 4.06Å; K141-L144 HydrophobicContact CD-CD1 3.78Å; K141-L144 HydrophobicContact CG-CD1 4.49Å; K141-L144 WeakPolarHBondContact O-CB 3.46Å; K141-L144 PolarHBondContact O-N 2.74Å; I142-L144 VanDerWaalsContact C-N 3.28Å; L144-A146 PolarHBondContact O-N 3.28Å; L144-A146 VanDerWaalsContact O-N 3.11Å; L144-A147 HydrophobicContact CB-CB 4.4Å; L144-A147 WeakPolarHBondContact O-CB 3.43Å; L144-A147 PolarHBondContact O-N 2.72Å
145P87Confident91.8Very high141 Ų14148.1 Ų48.192%0.91626%0.257SS*.THydrogen-bonded Turntrans-60.5-23.9177-24.433.5000114.6
146A89.1Confident91.6Very high75 Ų7547.5 Ų47.562%0.6225%0.254SS*.THydrogen-bonded Turntrans-92.43.1178.600000113.1A114 L144 D148A114-A146 HydrophobicContact CB-CB 4.21Å; L144-A146 PolarHBondContact O-N 3.28Å; L144-A146 VanDerWaalsContact O-N 3.11Å; A146-D148 PolarHBondContact O-N 2.96Å
147A90.1Very high91.3Very high25 Ų2551.3 Ų51.321%0.20727%0.272CS..  trans-66.8128.7178.900000110.8A113 L144A113-A147 HydrophobicContact CB-CB 3.65Å; L144-A147 HydrophobicContact CB-CB 4.4Å; L144-A147 WeakPolarHBondContact O-CB 3.43Å; L144-A147 PolarHBondContact O-N 2.72Å
148D91.6Very high90.8Very high74 Ų7456.4 Ų56.440%0.39630%0.299SS..  trans-13079.3173.7-170.9-10.2000109.6A113 A146 E150 R151 V152A113-D148 PolarHBondContact O-N 3.1Å; A146-D148 PolarHBondContact O-N 2.96Å; D148-E150 PolarHBondContact O-N 2.85Å; D148-R151 HydrophobicContact CB-CB 4.04Å; D148-R151 VanDerWaalsContact CG-CB 3.41Å; D148-R151 PolarHBondContact O-N 2.9Å; D148-R151 PolarHBondContact OD1-N 2.76Å; D148-R151 WeakPolarHBondContact OD2-CB 3.35Å; D148-V152 WeakPolarHBondContact O-CG2 3.49Å; D148-V152 PolarHBondContact O-N 2.81Å
149P92.2Very high89.9Confident31 Ų3159.9 Ų59.920%0.20132%0.319CS..Hα-helixtrans-61.2-32.6-174.7-2434.7000113.6A113 I139 I142 V152 R153 L169A113-P149 HydrophobicContact CB-CG 4.4Å; I139-P149 HydrophobicContact CG2-CB 4.06Å; I142-P149 HydrophobicContact CG2-CG 4.09Å; P149-V152 PolarHBondContact O-N 3.19Å; P149-R153 WeakPolarHBondContact O-CG 3.3Å; P149-R153 PolarHBondContact O-N 2.95Å; P149-L169 HydrophobicContact CB-CD1 4.34Å; P149-L169 HydrophobicContact CB-CD2 3.68Å; P149-L169 HydrophobicContact CG-CD2 4.5Å
150E91.7Very high89.2Confident129 Ų12961 Ų6160%0.60333%0.325SS*.Hα-helixtrans-70.5-41-177.4-166.763.7-167.200111.2D148 V152 R153 K154D148-E150 PolarHBondContact O-N 2.85Å; E150-V152 VanDerWaalsContact C-N 3.3Å; E150-V152 PolarHBondContact O-N 3.3Å; E150-R153 PolarHBondContact O-N 3.1Å; E150-K154 PolarHBondContact O-N 2.93Å
151R92Very high88.5Confident75 Ų7563.9 Ų63.928%0.28336%0.355SS..Hα-helixtrans-57-46170.3-177-173.176.679.6-1.3111A114 Q115 D148 K154 E155A114-R151 PolarHBondContact O-NH2 3.08Å; A114-R151 VanDerWaalsContact O-NH2 3.16Å; Q115-R151 PolarHBondContact O-NH2 3.16Å; D148-R151 HydrophobicContact CB-CB 4.04Å; D148-R151 VanDerWaalsContact CG-CB 3.41Å; D148-R151 PolarHBondContact O-N 2.9Å; D148-R151 PolarHBondContact OD1-N 2.76Å; D148-R151 WeakPolarHBondContact OD2-CB 3.35Å; R151-K154 PolarHBondContact O-N 3.39Å; R151-E155 IonicContact CZ-OE2 2.84Å; R151-E155 IonicContact NH1-OE2 3.7Å; R151-E155 PolarHBondContact NH1-OE2 3.41Å; R151-E155 IonicContact NH2-OE2 3.49Å; R151-E155 PolarHBondContact O-N 3.15Å
152V90.5Very high88Confident0 Ų063.3 Ų63.30%035%0.354CS..Hα-helixtrans-69.4-38.5-177.1176.70000112.4V111 I139 D148 P149 E150 K154 E155 I156V111-V152 HydrophobicContact CB-CG1 4.09Å; V111-V152 HydrophobicContact CG1-CG1 3.51Å; I139-V152 HydrophobicContact CD1-CB 4.33Å; I139-V152 HydrophobicContact CD1-CG1 4.14Å; I139-V152 HydrophobicContact CG1-CG1 4.07Å; I139-V152 HydrophobicContact CG2-CG1 4.41Å; D148-V152 WeakPolarHBondContact O-CG2 3.49Å; D148-V152 PolarHBondContact O-N 2.81Å; P149-V152 PolarHBondContact O-N 3.19Å; E150-V152 VanDerWaalsContact C-N 3.3Å; E150-V152 PolarHBondContact O-N 3.3Å; V152-K154 VanDerWaalsContact C-N 3.33Å; V152-K154 PolarHBondContact O-N 3.38Å; V152-E155 WeakPolarHBondContact O-CB 3.43Å; V152-E155 PolarHBondContact O-N 3.42Å; V152-E155 VanDerWaalsContact O-N 3.16Å; V152-I156 HydrophobicContact CG1-CD1 4.11Å; V152-I156 HydrophobicContact CG1-CG1 4.48Å; V152-I156 WeakPolarHBondContact O-CG1 3.25Å; V152-I156 PolarHBondContact O-N 3Å
153R92.3Very high87.7Confident53 Ų5365.9 Ų65.920%0.237%0.368CS..Hα-helixtrans-55.3-50.8172.5-77.4-179172.1-168.1-16.6111.3I139 P149 E150 E155 I156 E157 A164 E165 A167I139-R153 HydrophobicContact CD1-CB 4.29Å; I139-R153 HydrophobicContact CD1-CG 3.28Å; P149-R153 WeakPolarHBondContact O-CG 3.3Å; P149-R153 PolarHBondContact O-N 2.95Å; E150-R153 PolarHBondContact O-N 3.1Å; R153-E155 VanDerWaalsContact C-N 3.27Å; R153-E155 PolarHBondContact O-N 2.79Å; R153-I156 WeakPolarHBondContact O-CB 3.16Å; R153-I156 PolarHBondContact O-N 3.42Å; R153-I156 VanDerWaalsContact O-N 3.13Å; R153-E157 PolarHBondContact O-N 3.07Å; R153-A164 HydrophobicContact CB-CB 4.13Å; R153-A164 HydrophobicContact CG-CB 4.31Å; R153-A164 WeakPolarHBondContact O-CB 3.49Å; R153-E165 PolarHBondContact NH2-O 3.46Å; R153-A167 HydrophobicContact CG-CB 4.48Å; R153-A167 PolarHBondContact NH2-O 3.02Å
154K89.8Confident87.4Confident125 Ų12563.1 Ų63.154%0.54335%0.353SS..Hα-helixtrans-61.3-38.5177.7-173.5177.5178.2-172.90111.9E150 R151 V152 I156 E157 D158E150-K154 PolarHBondContact O-N 2.93Å; R151-K154 PolarHBondContact O-N 3.39Å; V152-K154 VanDerWaalsContact C-N 3.33Å; V152-K154 PolarHBondContact O-N 3.38Å; K154-I156 VanDerWaalsContact C-N 3.35Å; K154-E157 PolarHBondContact O-N 2.64Å; K154-D158 WeakPolarHBondContact CE-OD2 3.34Å; K154-D158 WeakPolarHBondContact CG-OD2 3.34Å; K154-D158 VanDerWaalsContact O-CB 3.27Å; K154-D158 WeakPolarHBondContact O-CB 3.49Å; K154-D158 PolarHBondContact O-N 2.9Å
155E85.6Confident87.2Confident36 Ų3666.9 Ų66.917%0.16837%0.369CS..Hα-helixtrans-62.1-41.2175.5-151.9179.8147.300111.7I117 R151 V152 R153 V159I117-E155 HydrophobicContact CB-CG 4.38Å; I117-E155 WeakPolarHBondContact CB-OE1 3.09Å; I117-E155 VanDerWaalsContact CD1-C 3.46Å; I117-E155 HydrophobicContact CD1-CB 4.14Å; I117-E155 HydrophobicContact CD1-CG 3.98Å; I117-E155 VanDerWaalsContact CD1-O 3.3Å; I117-E155 WeakPolarHBondContact CD1-O 3.3Å; I117-E155 HydrophobicContact CG1-CB 4.44Å; I117-E155 HydrophobicContact CG1-CG 4.15Å; I117-E155 PolarHBondContact N-OE1 3.26Å; R151-E155 IonicContact CZ-OE2 2.84Å; R151-E155 IonicContact NH1-OE2 3.7Å; R151-E155 PolarHBondContact NH1-OE2 3.41Å; R151-E155 IonicContact NH2-OE2 3.49Å; R151-E155 PolarHBondContact O-N 3.15Å; V152-E155 WeakPolarHBondContact O-CB 3.43Å; V152-E155 PolarHBondContact O-N 3.42Å; V152-E155 VanDerWaalsContact O-N 3.16Å; R153-E155 VanDerWaalsContact C-N 3.27Å; R153-E155 PolarHBondContact O-N 2.79Å; E155-V159 HydrophobicContact CG-CG2 4.1Å; E155-V159 WeakPolarHBondContact O-CB 3.43Å; E155-V159 VanDerWaalsContact O-CG2 3.26Å; E155-V159 WeakPolarHBondContact O-CG2 3.4Å; E155-V159 PolarHBondContact O-N 3.17Å
156I87.6Confident87.1Confident0 Ų066.1 Ų66.10%036%0.358CS..Iπ-helixtrans-62.8-46.4175.2-65.6165.7000110.7V111 I117 P137 I139 V152 R153 K154 I160 G161 I162 A164V111-I156 HydrophobicContact CB-CD1 4.36Å; V111-I156 HydrophobicContact CG2-CD1 3.98Å; V111-I156 HydrophobicContact CG2-CG1 4.33Å; I117-I156 HydrophobicContact CD1-CB 4.42Å; I117-I156 HydrophobicContact CD1-CG1 3.95Å; I117-I156 HydrophobicContact CG1-CG1 4.35Å; P137-I156 HydrophobicContact CB-CD1 4.25Å; P137-I156 HydrophobicContact CB-CG2 4.41Å; I139-I156 HydrophobicContact CD1-CD1 4.39Å; I139-I156 HydrophobicContact CG1-CD1 4.18Å; V152-I156 HydrophobicContact CG1-CD1 4.11Å; V152-I156 HydrophobicContact CG1-CG1 4.48Å; V152-I156 WeakPolarHBondContact O-CG1 3.25Å; V152-I156 PolarHBondContact O-N 3Å; R153-I156 WeakPolarHBondContact O-CB 3.16Å; R153-I156 PolarHBondContact O-N 3.42Å; R153-I156 VanDerWaalsContact O-N 3.13Å; K154-I156 VanDerWaalsContact C-N 3.35Å; I156-I160 HydrophobicContact CG1-CD1 4.46Å; I156-I160 HydrophobicContact CG2-CD1 4.28Å; I156-I160 WeakPolarHBondContact O-CA 3.32Å; I156-I160 VanDerWaalsContact O-CB 3.26Å; I156-I160 WeakPolarHBondContact O-CB 3.41Å; I156-I160 PolarHBondContact O-N 2.83Å; I156-G161 PolarHBondContact O-N 3.26Å; I156-G161 VanDerWaalsContact O-N 3.13Å; I156-I162 HydrophobicContact CG2-CB 4.35Å; I156-A164 HydrophobicContact CB-CB 4.02Å; I156-A164 HydrophobicContact CG2-CB 3.95Å
157E89.1Confident87.2Confident83 Ų8362.6 Ų62.639%0.38833%0.329SS..Iπ-helixtrans-63.8-47.8177.2-72172-168.100112.3R153 K154 G161 I162 A164R153-E157 PolarHBondContact O-N 3.07Å; K154-E157 PolarHBondContact O-N 2.64Å; E157-G161 VanDerWaalsContact O-CA 3.25Å; E157-G161 WeakPolarHBondContact O-CA 3.34Å; E157-G161 PolarHBondContact O-N 2.85Å; E157-G161 VanDerWaalsContact O-N 3.16Å; E157-I162 WeakPolarHBondContact CA-O 3.3Å; E157-I162 WeakPolarHBondContact CG-O 3.47Å; E157-A164 HydrophobicContact CG-CB 3.92Å; E157-A164 PolarHBondContact OE1-N 3.37Å
158D83.2Confident87.3Confident118 Ų11862 Ų6263%0.63132%0.322SS*.Iπ-helixtrans-73.6-38.4-173.4-75.6-21000112.5K154K154-D158 WeakPolarHBondContact CE-OD2 3.34Å; K154-D158 WeakPolarHBondContact CG-OD2 3.34Å; K154-D158 VanDerWaalsContact O-CB 3.27Å; K154-D158 WeakPolarHBondContact O-CB 3.49Å; K154-D158 PolarHBondContact O-N 2.9Å
159V75.8Confident87.5Confident72 Ų7261.5 Ų61.544%0.43632%0.319SS..Iπ-helixtrans-96.3-42.8-172.3-173.60000112I117 L122 E155I117-V159 HydrophobicContact CD1-CB 4.1Å; L122-V159 HydrophobicContact CD1-CG1 4.11Å; L122-V159 HydrophobicContact CD2-CG1 3.75Å; E155-V159 HydrophobicContact CG-CG2 4.1Å; E155-V159 WeakPolarHBondContact O-CB 3.43Å; E155-V159 VanDerWaalsContact O-CG2 3.26Å; E155-V159 WeakPolarHBondContact O-CG2 3.4Å; E155-V159 PolarHBondContact O-N 3.17Å
160I80.2Confident87.6Confident25 Ų2560 Ų6013%0.12831%0.31CS..Iπ-helixtrans-91.7-33.9-177.4-64.6165.5000111.1L109 I117 L122 V125 I156 I162L109-I160 HydrophobicContact CD2-CD1 3.78Å; I117-I160 HydrophobicContact CD1-CD1 3.58Å; I117-I160 HydrophobicContact CD1-CG1 3.93Å; I117-I160 HydrophobicContact CG1-CD1 4.32Å; L122-I160 HydrophobicContact CD2-CG1 3.71Å; V125-I160 HydrophobicContact CG1-CG2 3.56Å; V125-I160 HydrophobicContact CG2-CD1 4.21Å; I156-I160 HydrophobicContact CG1-CD1 4.46Å; I156-I160 HydrophobicContact CG2-CD1 4.28Å; I156-I160 WeakPolarHBondContact O-CA 3.32Å; I156-I160 VanDerWaalsContact O-CB 3.26Å; I156-I160 WeakPolarHBondContact O-CB 3.41Å; I156-I160 PolarHBondContact O-N 2.83Å; I160-I162 HydrophobicContact CG2-CB 4.22Å; I160-I162 HydrophobicContact CG2-CD1 3.36Å; I160-I162 HydrophobicContact CG2-CG1 3.67Å
161G82.2Confident87.7Confident62 Ų6253.9 Ų53.964%0.63928%0.281SS*.  trans81.924.1-176.600000113.9I156 E157I156-G161 PolarHBondContact O-N 3.26Å; I156-G161 VanDerWaalsContact O-N 3.13Å; E157-G161 VanDerWaalsContact O-CA 3.25Å; E157-G161 WeakPolarHBondContact O-CA 3.34Å; E157-G161 PolarHBondContact O-N 2.85Å; E157-G161 VanDerWaalsContact O-N 3.16Å
162I83.5Confident87.5Confident32 Ų3250.4 Ų50.416%0.16427%0.268CS..  trans-103.8139.9173.6-68165.4000108.8I135 P137 I156 E157 I160 A164I135-I162 HydrophobicContact CB-CD1 3.78Å; I135-I162 HydrophobicContact CD1-CD1 3.77Å; I135-I162 HydrophobicContact CG1-CD1 4.37Å; I135-I162 HydrophobicContact CG2-CD1 3.59Å; P137-I162 HydrophobicContact CG-CG2 4.36Å; I156-I162 HydrophobicContact CG2-CB 4.35Å; E157-I162 WeakPolarHBondContact CA-O 3.3Å; E157-I162 WeakPolarHBondContact CG-O 3.47Å; I160-I162 HydrophobicContact CG2-CB 4.22Å; I160-I162 HydrophobicContact CG2-CD1 3.36Å; I160-I162 HydrophobicContact CG2-CG1 3.67Å; I162-A164 PolarHBondContact O-N 2.95Å
163D87.1Confident87.4Confident106 Ų10657.2 Ų57.257%0.56730%0.298SS*.  trans-62.5118.7173.2-172.1-8.7000110.3E165D163-E165 WeakPolarHBondContact OD1-CB 3.23Å; D163-E165 PolarHBondContact OD1-N 3.47Å
164A85.5Confident87.2Confident0 Ų058.4 Ų58.40%031%0.311CS..  trans-110.79.8-17800000112.7R153 I156 E157 I162 D166 A167R153-A164 HydrophobicContact CB-CB 4.13Å; R153-A164 HydrophobicContact CG-CB 4.31Å; R153-A164 WeakPolarHBondContact O-CB 3.49Å; I156-A164 HydrophobicContact CB-CB 4.02Å; I156-A164 HydrophobicContact CG2-CB 3.95Å; E157-A164 HydrophobicContact CG-CB 3.92Å; E157-A164 PolarHBondContact OE1-N 3.37Å; I162-A164 PolarHBondContact O-N 2.95Å; A164-D166 VanDerWaalsContact C-N 3.29Å; A164-D166 PolarHBondContact O-N 2.85Å; A164-A167 HydrophobicContact CB-CB 4.18Å; A164-A167 WeakPolarHBondContact O-CB 3.43Å; A164-A167 PolarHBondContact O-N 3.43Å; A164-A167 VanDerWaalsContact O-N 3.08Å
165E85.4Confident87.2Confident142 Ų14254 Ų5466%0.66430%0.302SS*.THydrogen-bonded Turntrans-59.9-44.1178.8-171171.2-172.500110.7R153 D163 A167R153-E165 PolarHBondContact NH2-O 3.46Å; D163-E165 WeakPolarHBondContact OD1-CB 3.23Å; D163-E165 PolarHBondContact OD1-N 3.47Å; E165-A167 VanDerWaalsContact C-N 3.32Å; E165-A167 PolarHBondContact O-N 2.94Å
166D84.7Confident87.5Confident126 Ų12656.7 Ų56.767%0.67432%0.316SS*.THydrogen-bonded Turntrans-88.510.2177.3-72.5-33.6000113.4A164 V168 Q184A164-D166 VanDerWaalsContact C-N 3.29Å; A164-D166 PolarHBondContact O-N 2.85Å; D166-V168 PolarHBondContact O-N 2.86Å; D166-Q184 PolarHBondContact O-NE2 2.93Å
167A90.8Very high87.7Confident1 Ų156.9 Ų56.91%0.00832%0.318CS..  trans-59.9126.5179.200000111P137 I139 R153 A164 E165 L169P137-A167 HydrophobicContact CB-CB 3.95Å; P137-A167 HydrophobicContact CG-CB 3.88Å; P137-A167 WeakPolarHBondContact O-CA 3.32Å; I139-A167 HydrophobicContact CD1-CB 4.16Å; I139-A167 HydrophobicContact CG1-CB 4.4Å; R153-A167 HydrophobicContact CG-CB 4.48Å; R153-A167 PolarHBondContact NH2-O 3.02Å; A164-A167 HydrophobicContact CB-CB 4.18Å; A164-A167 WeakPolarHBondContact O-CB 3.43Å; A164-A167 PolarHBondContact O-N 3.43Å; A164-A167 VanDerWaalsContact O-N 3.08Å; E165-A167 VanDerWaalsContact C-N 3.32Å; E165-A167 PolarHBondContact O-N 2.94Å; A167-L169 PolarHBondContact O-N 3Å
168V92.4Very high87.9Confident11 Ų1153 Ų537%0.06730%0.3CS..EExtended strand (participates in β ladder)trans-71.4125.9-177.5-176.20000109.8P137 I139 D166 A170 G177 E180 I181 Q184P137-V168 PolarHBondContact O-N 2.85Å; I139-V168 PolarHBondContact N-O 2.89Å; D166-V168 PolarHBondContact O-N 2.86Å; V168-A170 HydrophobicContact CG1-CB 4.47Å; V168-A170 PolarHBondContact O-N 3.38Å; V168-G177 WeakPolarHBondContact CG1-O 3.31Å; V168-E180 HydrophobicContact CG1-CB 3.82Å; V168-E180 HydrophobicContact CG2-CB 4.23Å; V168-I181 HydrophobicContact CB-CG1 3.95Å; V168-I181 HydrophobicContact CG1-CG1 3.84Å; V168-I181 HydrophobicContact CG2-CG1 4.15Å; V168-Q184 HydrophobicContact CG2-CG 4.2Å
169L95.2Very high88.4Confident65 Ų6550 Ų5034%0.3429%0.288SS..EExtended strand (participates in β ladder)trans-84.3108.8171.3-57.5-170.8000108.8I139 I142 P149 A167I139-L169 HydrophobicContact CB-CD2 3.89Å; I139-L169 HydrophobicContact CD1-CD2 4.03Å; I139-L169 HydrophobicContact CG1-CD2 4.48Å; I139-L169 HydrophobicContact CG2-CD2 4.24Å; I142-L169 HydrophobicContact CD1-CB 4.21Å; I142-L169 HydrophobicContact CG2-CB 4.24Å; P149-L169 HydrophobicContact CB-CD1 4.34Å; P149-L169 HydrophobicContact CB-CD2 3.68Å; P149-L169 HydrophobicContact CG-CD2 4.5Å; A167-L169 PolarHBondContact O-N 3Å
170A94.4Very high89.2Confident0 Ų051.7 Ų51.70%029%0.291CS..  trans-124.7154.5-172.400000113.1V138 I139 N140 K141 I142 V168 I176 I181V138-A170 HydrophobicContact CG1-CB 3.85Å; I139-A170 PolarHBondContact O-N 2.75Å; N140-A170 CarbonylContact C-O 3.54Å; N140-A170 VanDerWaalsContact C-O 3.32Å; N140-A170 VanDerWaalsContact CA-O 3.24Å; N140-A170 WeakPolarHBondContact CA-O 3.36Å; N140-A170 PolarHBondContact OD1-O 2.93Å; K141-A170 PolarHBondContact N-O 3.21Å; I142-A170 WeakPolarHBondContact CG1-O 3.19Å; I142-A170 PolarHBondContact N-O 3.01Å; V168-A170 HydrophobicContact CG1-CB 4.47Å; V168-A170 PolarHBondContact O-N 3.38Å; A170-I176 CarbonylContact C-O 3.51Å; A170-I176 WeakPolarHBondContact CA-O 3.42Å; A170-I176 WeakPolarHBondContact CB-O 3.5Å; A170-I181 HydrophobicContact CB-CD1 3.94Å
171S93.9Very high89.9Confident0 Ų050.6 Ų50.60%029%0.286CS..BIsolated β-bridgetrans-131.699.6163.7169.80000107.9D143 K173 T174 G175 I176D143-S171 VanDerWaalsContact CG-OG 3.27Å; D143-S171 WeakPolarHBondContact OD1-CB 3.37Å; D143-S171 PolarHBondContact OD1-OG 3.49Å; S171-K173 PolarHBondContact O-N 3.23Å; S171-T174 WeakPolarHBondContact CB-OG1 3.46Å; S171-T174 PolarHBondContact O-N 3.01Å; S171-T174 VanDerWaalsContact O-N 3.11Å; S171-T174 PolarHBondContact OG-N 3.13Å; S171-T174 PolarHBondContact OG-OG1 3.21Å; S171-G175 WeakPolarHBondContact O-CA 3.37Å; S171-G175 PolarHBondContact O-N 3.27Å; S171-I176 PolarHBondContact N-O 3.08Å; S171-I176 PolarHBondContact O-N 3.41Å
172A89.3Confident90.4Very high1 Ų147.6 Ų47.61%0.00826%0.255CS..THydrogen-bonded Turntrans-57.2-29.7175.500000112.1T28 L29 R32 N140T28-A172 HydrophobicContact CG2-CB 3.86Å; L29-A172 HydrophobicContact CB-CB 4.11Å; L29-A172 HydrophobicContact CD1-CB 4.39Å; R32-A172 WeakPolarHBondContact CG-O 3.49Å; R32-A172 PolarHBondContact NE-O 3.44Å; N140-A172 PolarHBondContact OD1-N 2.76Å
173K88.4Confident91Very high143 Ų14347.8 Ų47.862%0.62226%0.255SS*.THydrogen-bonded Turntrans-66-44.3176.5-173.9178.7178.1-176.30112.4R32 S171R32-K173 PolarHBondContact NH2-O 3.24Å; S171-K173 PolarHBondContact O-N 3.23Å
174T88.2Confident91.3Very high78 Ų7844.4 Ų44.448%0.47924%0.236SC..THydrogen-bonded Turntrans-99.1-7-175.460.30000113.9D143 S171 I176D143-T174 HydrophobicContact CB-CG2 4.32Å; S171-T174 WeakPolarHBondContact CB-OG1 3.46Å; S171-T174 PolarHBondContact O-N 3.01Å; S171-T174 VanDerWaalsContact O-N 3.11Å; S171-T174 PolarHBondContact OG-N 3.13Å; S171-T174 PolarHBondContact OG-OG1 3.21Å; T174-I176 VanDerWaalsContact OG1-CD1 3.28Å; T174-I176 WeakPolarHBondContact OG1-CD1 3.32Å; T174-I176 WeakPolarHBondContact OG1-CG1 3.21Å
175G89.1Confident91.7Very high34 Ų3444.4 Ų44.435%0.35124%0.236SC..THydrogen-bonded Turntrans7820.7-178.800000114S171S171-G175 WeakPolarHBondContact O-CA 3.37Å; S171-G175 PolarHBondContact O-N 3.27Å
176I92.4Very high92.1Very high91 Ų9138.1 Ų38.147%0.46721%0.207SC..BIsolated β-bridgetrans-84.9138.5177.9-59.7170.7000109.2I142 A170 S171 T174 I178I142-I176 HydrophobicContact CD1-CG2 4.1Å; A170-I176 CarbonylContact C-O 3.51Å; A170-I176 WeakPolarHBondContact CA-O 3.42Å; A170-I176 WeakPolarHBondContact CB-O 3.5Å; S171-I176 PolarHBondContact N-O 3.08Å; S171-I176 PolarHBondContact O-N 3.41Å; T174-I176 VanDerWaalsContact OG1-CD1 3.28Å; T174-I176 WeakPolarHBondContact OG1-CD1 3.32Å; T174-I176 WeakPolarHBondContact OG1-CG1 3.21Å; I176-I178 VanDerWaalsContact C-N 3.3Å; I176-I178 PolarHBondContact O-N 3.48Å
177G92.1Very high92.4Very high5 Ų537.1 Ų37.15%0.05221%0.206CC..SBendtrans84.3-5.8174.900000115V168 S179 E180 I181V168-G177 WeakPolarHBondContact CG1-O 3.31Å; G177-S179 PolarHBondContact O-N 2.85Å; G177-E180 WeakPolarHBondContact CA-OE2 3.33Å; G177-E180 PolarHBondContact O-N 3.36Å; G177-I181 VanDerWaalsContact O-CG1 3.3Å; G177-I181 WeakPolarHBondContact O-CG1 3.32Å; G177-I181 PolarHBondContact O-N 3.02Å
178I92.7Very high92.6Very high2 Ų240.5 Ų40.51%0.0122%0.224CC..Hα-helixtrans-68.7-38.9-172.7-48.8-62000111.4L29 R32 I33 Q36 I176 E180 I181 L182L29-I178 HydrophobicContact CD1-CD1 3.43Å; L29-I178 VanDerWaalsContact CD1-CD1 3.43Å; R32-I178 HydrophobicContact CB-CD1 3.87Å; R32-I178 HydrophobicContact CB-CG1 3.94Å; R32-I178 HydrophobicContact CB-CG2 4.24Å; R32-I178 HydrophobicContact CG-CD1 4.4Å; I33-I178 HydrophobicContact CG1-CG2 4.15Å; Q36-I178 HydrophobicContact CB-CG2 4.39Å; I176-I178 VanDerWaalsContact C-N 3.3Å; I176-I178 PolarHBondContact O-N 3.48Å; I178-E180 VanDerWaalsContact C-N 3.31Å; I178-E180 PolarHBondContact O-N 3.29Å; I178-I181 HydrophobicContact CD1-CD1 4.44Å; I178-I181 PolarHBondContact O-N 3.16Å; I178-L182 HydrophobicContact CG2-CD1 4.49Å; I178-L182 WeakPolarHBondContact O-CG 3.32Å; I178-L182 PolarHBondContact O-N 3.34Å
179S92.4Very high92.6Very high54 Ų5440 Ų4038%0.37822%0.221SC..Hα-helixtrans-61.4-43175.5-46.60000111.4Q36 G177 I181 L182 E183Q36-S179 VanDerWaalsContact NE2-CA 3.28Å; Q36-S179 PolarHBondContact NE2-OG 3.22Å; G177-S179 PolarHBondContact O-N 2.85Å; S179-I181 VanDerWaalsContact C-N 3.34Å; S179-L182 PolarHBondContact O-N 3.42Å; S179-E183 VanDerWaalsContact O-CG 3.32Å; S179-E183 WeakPolarHBondContact O-CG 3.33Å; S179-E183 PolarHBondContact O-N 2.88Å
180E93.6Very high92.6Very high107 Ų10740 Ų4050%0.523%0.225SC..Hα-helixtrans-65-39.7-179.8-63.983.217000110.9V168 G177 I178 E183 Q184V168-E180 HydrophobicContact CG1-CB 3.82Å; V168-E180 HydrophobicContact CG2-CB 4.23Å; G177-E180 WeakPolarHBondContact CA-OE2 3.33Å; G177-E180 PolarHBondContact O-N 3.36Å; I178-E180 VanDerWaalsContact C-N 3.31Å; I178-E180 PolarHBondContact O-N 3.29Å; E180-E183 PolarHBondContact O-N 3.23Å; E180-Q184 WeakPolarHBondContact O-CG 3.43Å; E180-Q184 PolarHBondContact O-N 3.35Å
181I93.9Very high92.6Very high2 Ų241.7 Ų41.71%0.0124%0.239CC..Hα-helixtrans-60.4-48172.5-66.6166.1000110.7L29 V138 V168 A170 G177 I178 S179 E183 Q184 I185L29-I181 HydrophobicContact CD1-CD1 3.75Å; L29-I181 HydrophobicContact CD2-CD1 4.44Å; V138-I181 HydrophobicContact CB-CD1 4.47Å; V138-I181 HydrophobicContact CG1-CD1 3.63Å; V138-I181 HydrophobicContact CG1-CG1 4.28Å; V138-I181 HydrophobicContact CG2-CD1 3.95Å; V138-I181 HydrophobicContact CG2-CG1 3.82Å; V168-I181 HydrophobicContact CB-CG1 3.95Å; V168-I181 HydrophobicContact CG1-CG1 3.84Å; V168-I181 HydrophobicContact CG2-CG1 4.15Å; A170-I181 HydrophobicContact CB-CD1 3.94Å; G177-I181 VanDerWaalsContact O-CG1 3.3Å; G177-I181 WeakPolarHBondContact O-CG1 3.32Å; G177-I181 PolarHBondContact O-N 3.02Å; I178-I181 HydrophobicContact CD1-CD1 4.44Å; I178-I181 PolarHBondContact O-N 3.16Å; S179-I181 VanDerWaalsContact C-N 3.34Å; I181-E183 VanDerWaalsContact C-N 3.31Å; I181-E183 PolarHBondContact O-N 2.66Å; I181-Q184 PolarHBondContact O-N 3.33Å; I181-I185 HydrophobicContact CG2-CD1 3.86Å; I181-I185 VanDerWaalsContact O-CG1 3.31Å; I181-I185 WeakPolarHBondContact O-CG1 3.48Å; I181-I185 PolarHBondContact O-N 3.26Å
182L94Very high92.6Very high0 Ų042 Ų420%024%0.241CC..Hα-helixtrans-61.8-40.5-179.3-64.4169.9000111.6I33 Q36 Y72 F82 I178 S179 I185 V186I33-L182 HydrophobicContact CG1-CD2 4.26Å; I33-L182 HydrophobicContact CG2-CD2 3.95Å; Q36-L182 HydrophobicContact CB-CD1 4.27Å; Q36-L182 HydrophobicContact CG-CD1 3.83Å; Y72-L182 HydrophobicContact CD1-CB 4.39Å; Y72-L182 HydrophobicContact CD2-CB 4.45Å; Y72-L182 HydrophobicContact CD2-CD1 3.95Å; Y72-L182 HydrophobicContact CE1-CB 3.85Å; Y72-L182 HydrophobicContact CE2-CB 3.94Å; Y72-L182 HydrophobicContact CE2-CD1 3.58Å; Y72-L182 HydrophobicContact CE2-CG 4.35Å; F82-L182 HydrophobicContact CD2-CD2 4.18Å; F82-L182 HydrophobicContact CE2-CB 4.42Å; F82-L182 HydrophobicContact CE2-CD2 3.78Å; I178-L182 HydrophobicContact CG2-CD1 4.49Å; I178-L182 WeakPolarHBondContact O-CG 3.32Å; I178-L182 PolarHBondContact O-N 3.34Å; S179-L182 PolarHBondContact O-N 3.42Å; L182-I185 WeakPolarHBondContact O-CB 3.28Å; L182-I185 PolarHBondContact O-N 2.94Å; L182-V186 WeakPolarHBondContact O-CG2 3.4Å; L182-V186 PolarHBondContact O-N 3.13Å; L182-V186 VanDerWaalsContact O-N 3.08Å
183E94.9Very high92.5Very high35 Ų3547.6 Ų47.616%0.16428%0.28CS..Hα-helixtrans-69.6-35.7177.3-69.7-71.6135.700112.8Y72 A74 N75 S179 E180 I181 I185 V186 T187Y72-E183 WeakPolarHBondContact CE1-OE1 3.42Å; Y72-E183 PolarHBondContact OH-OE1 2.94Å; A74-E183 VanDerWaalsContact CA-OE1 3.26Å; A74-E183 WeakPolarHBondContact CA-OE1 3.01Å; N75-E183 WeakPolarHBondContact CB-OE2 3.3Å; N75-E183 VanDerWaalsContact CG-CD 3.45Å; N75-E183 PolarHBondContact N-OE1 3.38Å; N75-E183 VanDerWaalsContact ND2-CG 3.32Å; N75-E183 WeakPolarHBondContact ND2-CG 3.37Å; N75-E183 PolarHBondContact ND2-OE1 2.85Å; N75-E183 PolarHBondContact ND2-OE2 2.8Å; S179-E183 VanDerWaalsContact O-CG 3.32Å; S179-E183 WeakPolarHBondContact O-CG 3.33Å; S179-E183 PolarHBondContact O-N 2.88Å; E180-E183 PolarHBondContact O-N 3.23Å; I181-E183 VanDerWaalsContact C-N 3.31Å; I181-E183 PolarHBondContact O-N 2.66Å; E183-I185 VanDerWaalsContact C-N 3.34Å; E183-V186 PolarHBondContact O-N 2.91Å; E183-T187 WeakPolarHBondContact O-CB 3.36Å; E183-T187 PolarHBondContact O-N 3.15Å; E183-T187 PolarHBondContact O-OG1 3.15Å
184Q93.3Very high92.6Very high36 Ų3641.5 Ų41.517%0.16826%0.258CS..Hα-helixtrans-64.6-39.1170.5-77.9-167-9.200111.9L136 D166 V168 E180 I181 V186 T187 N188L136-Q184 HydrophobicContact CD1-CB 4.28Å; D166-Q184 PolarHBondContact O-NE2 2.93Å; V168-Q184 HydrophobicContact CG2-CG 4.2Å; E180-Q184 WeakPolarHBondContact O-CG 3.43Å; E180-Q184 PolarHBondContact O-N 3.35Å; I181-Q184 PolarHBondContact O-N 3.33Å; Q184-V186 VanDerWaalsContact C-N 3.32Å; Q184-V186 PolarHBondContact O-N 2.76Å; Q184-T187 PolarHBondContact O-N 3.3Å; Q184-N188 WeakPolarHBondContact O-CB 3.44Å; Q184-N188 PolarHBondContact O-N 3.49Å
185I94Very high92.7Very high0 Ų041.5 Ų41.50%026%0.255CS..Hα-helixtrans-60.8-42.5174.7-68.7161.5000110.7R14 F16 F82 V108 L136 I181 L182 E183 T187 V189R14-I185 HydrophobicContact CB-CG2 4.01Å; R14-I185 HydrophobicContact CG-CG2 4.3Å; F16-I185 HydrophobicContact CD1-CD1 4.27Å; F16-I185 HydrophobicContact CD1-CG2 3.76Å; F16-I185 HydrophobicContact CD2-CD1 4.08Å; F16-I185 HydrophobicContact CE1-CD1 3.92Å; F16-I185 HydrophobicContact CE1-CG2 3.94Å; F16-I185 HydrophobicContact CE2-CD1 3.72Å; F16-I185 HydrophobicContact CG-CD1 4.34Å; F16-I185 HydrophobicContact CG-CG2 4.42Å; F16-I185 HydrophobicContact CZ-CD1 3.65Å; F82-I185 HydrophobicContact CD1-CG2 4.45Å; F82-I185 HydrophobicContact CE1-CG2 4.06Å; F82-I185 HydrophobicContact CE2-CG2 4.48Å; F82-I185 HydrophobicContact CZ-CG2 4.08Å; V108-I185 HydrophobicContact CG2-CD1 4.06Å; V108-I185 HydrophobicContact CG2-CG1 4.27Å; L136-I185 HydrophobicContact CD1-CB 4.5Å; L136-I185 HydrophobicContact CD1-CG1 3.8Å; I181-I185 HydrophobicContact CG2-CD1 3.86Å; I181-I185 VanDerWaalsContact O-CG1 3.31Å; I181-I185 WeakPolarHBondContact O-CG1 3.48Å; I181-I185 PolarHBondContact O-N 3.26Å; L182-I185 WeakPolarHBondContact O-CB 3.28Å; L182-I185 PolarHBondContact O-N 2.94Å; E183-I185 VanDerWaalsContact C-N 3.34Å; I185-T187 VanDerWaalsContact C-N 3.34Å; I185-T187 PolarHBondContact O-N 3.38Å; I185-V189 HydrophobicContact CB-CG2 4.45Å; I185-V189 HydrophobicContact CG2-CB 4.45Å; I185-V189 HydrophobicContact CG2-CG2 4.16Å; I185-V189 VanDerWaalsContact O-CB 3.31Å; I185-V189 WeakPolarHBondContact O-CB 3.22Å; I185-V189 PolarHBondContact O-N 3.22Å
186V93.8Very high92.8Very high10 Ų1040.2 Ų40.26%0.06124%0.24CC..Hα-helixtrans-60.1-45.8176173.60000111.7R14 Y72 A74 Y80 F82 L182 E183 Q184R14-V186 PolarHBondContact NE-O 2.85Å; R14-V186 PolarHBondContact NH2-O 3.45Å; Y72-V186 HydrophobicContact CD1-CG2 3.98Å; Y72-V186 HydrophobicContact CE1-CG2 4.05Å; A74-V186 HydrophobicContact CB-CG1 4.27Å; A74-V186 HydrophobicContact CB-CG2 3.93Å; Y80-V186 HydrophobicContact CD1-CG1 4.27Å; Y80-V186 HydrophobicContact CD2-CG1 4.11Å; Y80-V186 HydrophobicContact CD2-CG2 4.02Å; Y80-V186 HydrophobicContact CE1-CG1 3.77Å; Y80-V186 HydrophobicContact CE2-CG1 3.57Å; Y80-V186 HydrophobicContact CE2-CG2 4.3Å; Y80-V186 HydrophobicContact CG-CG1 4.44Å; Y80-V186 HydrophobicContact CG-CG2 4.17Å; F82-V186 HydrophobicContact CE1-CG2 4.06Å; F82-V186 HydrophobicContact CZ-CG2 3.63Å; L182-V186 WeakPolarHBondContact O-CG2 3.4Å; L182-V186 PolarHBondContact O-N 3.13Å; L182-V186 VanDerWaalsContact O-N 3.08Å; E183-V186 PolarHBondContact O-N 2.91Å; Q184-V186 VanDerWaalsContact C-N 3.32Å; Q184-V186 PolarHBondContact O-N 2.76Å
187T92.7Very high92.7Very high104 Ų10440.6 Ų40.664%0.63824%0.243SC*.Hα-helixtrans-78.8-43.5-168.8-53.70000112.6E183 Q184 I185E183-T187 WeakPolarHBondContact O-CB 3.36Å; E183-T187 PolarHBondContact O-N 3.15Å; E183-T187 PolarHBondContact O-OG1 3.15Å; Q184-T187 PolarHBondContact O-N 3.3Å; I185-T187 VanDerWaalsContact C-N 3.34Å; I185-T187 PolarHBondContact O-N 3.38Å
188N93.4Very high92.6Very high72 Ų7241.6 Ų41.639%0.38525%0.25SS..Hα-helixtrans-103.5-38.8-166.8-63.3-14.1000112.8E134 L136 Q184 P190E134-N188 HydrophobicContact CG-CB 4.35Å; L136-N188 HydrophobicContact CD2-CB 3.65Å; Q184-N188 WeakPolarHBondContact O-CB 3.44Å; Q184-N188 PolarHBondContact O-N 3.49Å; N188-P190 WeakPolarHBondContact O-CD 3.43Å
189V93.9Very high92.7Very high2 Ų243.4 Ų43.41%0.01226%0.262CS..SBendtrans-68127178.6179.80000108.4R14 E105 L136 I185R14-V189 HydrophobicContact CB-CG1 4.41Å; R14-V189 WeakPolarHBondContact CD-O 3.02Å; R14-V189 PolarHBondContact NE-O 2.9Å; E105-V189 HydrophobicContact CB-CG1 4.02Å; L136-V189 HydrophobicContact CD1-CG2 3.77Å; L136-V189 HydrophobicContact CG-CG2 4.41Å; I185-V189 HydrophobicContact CB-CG2 4.45Å; I185-V189 HydrophobicContact CG2-CB 4.45Å; I185-V189 HydrophobicContact CG2-CG2 4.16Å; I185-V189 VanDerWaalsContact O-CB 3.31Å; I185-V189 WeakPolarHBondContact O-CB 3.22Å; I185-V189 PolarHBondContact O-N 3.22Å
190P94.5Very high92.9Very high65 Ų6540.9 Ų40.942%0.42224%0.244SC..PPolyproline II helixtrans-72.2154.6-178.625.3-29.3000111.6E105 N188E105-P190 HydrophobicContact CB-CG 4.03Å; E105-P190 HydrophobicContact CG-CG 4.35Å; N188-P190 WeakPolarHBondContact O-CD 3.43Å
191A94.2Very high93Very high35 Ų3538.2 Ų38.229%0.28923%0.231SC..PPolyproline II helixtrans-69.7147.9168.200000110.4S193A191-S193 PolarHBondContact O-N 3.5Å
192P93.6Very high93Very high6 Ų638.1 Ų38.14%0.03923%0.231CC..PPolyproline II helixtrans-60.2135.4177.822.7-32.2000111.8Q10 I13 E105 G262Q10-P192 HydrophobicContact CG-CG 4.27Å; Q10-P192 WeakPolarHBondContact CG-O 3.26Å; Q10-P192 PolarHBondContact NE2-O 2.91Å; I13-P192 HydrophobicContact CB-CG 3.95Å; I13-P192 HydrophobicContact CG2-CG 3.97Å; I13-P192 WeakPolarHBondContact O-CD 3.43Å; E105-P192 VanDerWaalsContact OE1-CA 3.32Å; E105-P192 WeakPolarHBondContact OE1-CA 3.19Å; E105-P192 WeakPolarHBondContact OE1-CB 3.33Å; P192-G262 VanDerWaalsContact CG-CA 3.46Å
193S88.4Confident92.9Very high118 Ų11838.5 Ų38.583%0.82523%0.233SC*.  trans-97.23.7-163.559.70000116.7A191A191-S193 PolarHBondContact O-N 3.5Å
194G88.7Confident92.6Very high16 Ų1636.9 Ų36.917%0.16523%0.225CC..  trans-72.6170.5-172.300000116.8Q10 T222Q10-G194 PolarHBondContact NE2-O 2.69Å; G194-T222 VanDerWaalsContact CA-O 3.3Å; G194-T222 WeakPolarHBondContact CA-O 3.1Å
195D91.6Very high92.1Very high77 Ų7735.2 Ų35.241%0.41222%0.217SC..  trans-103.2124.7-179.6-174.59.1000112.2D197 A198 D223 G224D195-D197 VanDerWaalsContact C-N 3.3Å; D195-D197 PolarHBondContact O-N 3.18Å; D195-D197 PolarHBondContact OD1-N 2.97Å; D195-A198 HydrophobicContact CB-CB 3.85Å; D195-A198 PolarHBondContact O-N 3.38Å; D195-D223 PolarHBondContact N-OD1 3.42Å; D195-D223 VanDerWaalsContact N-OD1 3.1Å; D195-G224 PolarHBondContact O-N 2.82Å
196L90.5Very high91.5Very high8 Ų835.3 Ų35.34%0.04222%0.218CC..THydrogen-bonded Turntrans-69.7-26.1178.9-70.1165.5000113.2M6 K7 I225 M260 V261M6-L196 HydrophobicContact CB-CD1 3.63Å; M6-L196 HydrophobicContact CB-CD2 4.43Å; K7-L196 HydrophobicContact CB-CD1 4.48Å; K7-L196 HydrophobicContact CG-CD1 3.58Å; L196-I225 HydrophobicContact CD2-CD1 4.19Å; L196-I225 HydrophobicContact CD2-CG1 4.06Å; L196-M260 HydrophobicContact CD1-CE 4.31Å; L196-M260 HydrophobicContact CD2-CB 3.8Å; L196-M260 HydrophobicContact CD2-CE 3.65Å; L196-M260 HydrophobicContact CD2-SD 4.4Å; L196-V261 HydrophobicContact CD2-CB 3.91Å; L196-V261 HydrophobicContact CD2-CG2 3.83Å; L196-V261 HydrophobicContact CG-CB 4.43Å; L196-V261 HydrophobicContact CG-CG2 4.2Å
197D90Very high90.8Very high99 Ų9934.9 Ų34.953%0.52922%0.216SC..THydrogen-bonded Turntrans-91.9-8.2-178.1-68.1-55.1000112.5I3 D195I3-D197 WeakPolarHBondContact CD1-OD1 3.48Å; D195-D197 VanDerWaalsContact C-N 3.3Å; D195-D197 PolarHBondContact O-N 3.18Å; D195-D197 PolarHBondContact OD1-N 2.97Å
198A91.6Very high90.1Very high25 Ų2532 Ų3221%0.20720%0.198CC..SBendtrans-74159.3177.600000112.4D195 L200 D223 G224D195-A198 HydrophobicContact CB-CB 3.85Å; D195-A198 PolarHBondContact O-N 3.38Å; A198-L200 PolarHBondContact O-N 3.04Å; A198-D223 HydrophobicContact CB-CB 4.1Å; A198-G224 WeakPolarHBondContact O-CA 3.44Å
199P94Very high89.3Confident40 Ų4033.2 Ų33.226%0.2620%0.197SC..PPolyproline II helixtrans-51137.9168.1-27.135.7000111.7K201 N288 A290P199-K201 PolarHBondContact O-N 3.45Å; P199-N288 WeakPolarHBondContact CB-O 3.48Å; P199-A290 HydrophobicContact CB-CB 4.17Å
200L96.2Very high88.7Confident1 Ų134.8 Ų34.81%0.00521%0.206CC..PPolyproline II helixtrans-53.2128.9179.6177.369.2000110.7A198 I221 D223 V226 I232 T284 L285A198-L200 PolarHBondContact O-N 3.04Å; L200-I221 HydrophobicContact CD1-CD1 4.34Å; L200-I221 HydrophobicContact CD1-CG2 4.16Å; L200-D223 CarbonylContact C-O 3.53Å; L200-D223 WeakPolarHBondContact CA-O 3.47Å; L200-V226 HydrophobicContact CD1-CB 4.05Å; L200-V226 HydrophobicContact CD1-CG1 4.46Å; L200-V226 HydrophobicContact CD2-CB 3.83Å; L200-V226 HydrophobicContact CD2-CG2 4.13Å; L200-I232 HydrophobicContact CD2-CG2 4.3Å; L200-T284 VanDerWaalsContact O-CA 3.27Å; L200-T284 WeakPolarHBondContact O-CA 3.42Å; L200-T284 WeakPolarHBondContact O-CB 3.36Å; L200-T284 PolarHBondContact O-OG1 3.06Å; L200-L285 HydrophobicContact CB-CD1 4.16Å; L200-L285 HydrophobicContact CB-CG 3.71Å; L200-L285 HydrophobicContact CD2-CD2 3.95Å; L200-L285 HydrophobicContact CD2-CG 3.9Å; L200-L285 HydrophobicContact CG-CG 4.48Å
201K95.2Very high87.8Confident52 Ų5236.6 Ų36.623%0.22622%0.22CC..EExtended strand (participates in β ladder)trans-130.4110.3163-62.4-177-161.51410108.4P199 T222 D223 T282 A290 L294P199-K201 PolarHBondContact O-N 3.45Å; K201-T222 PolarHBondContact O-N 2.75Å; K201-D223 HydrophobicContact CB-CB 4.1Å; K201-D223 HydrophobicContact CD-CB 4.44Å; K201-D223 WeakPolarHBondContact CD-OD2 3.25Å; K201-D223 HydrophobicContact CG-CB 4.23Å; K201-D223 PolarHBondContact N-O 3.16Å; K201-D223 IonicContact NZ-OD2 3.22Å; K201-D223 PolarHBondContact NZ-OD2 3.36Å; K201-D223 PolarHBondContact O-N 3.41Å; K201-T282 HydrophobicContact CB-CG2 4.15Å; K201-T282 HydrophobicContact CG-CG2 4.43Å; K201-A290 HydrophobicContact CD-CB 4.22Å; K201-A290 HydrophobicContact CG-CB 3.63Å; K201-L294 HydrophobicContact CB-CD1 4.12Å; K201-L294 HydrophobicContact CB-CD2 4.36Å; K201-L294 HydrophobicContact CB-CG 4.19Å; K201-L294 HydrophobicContact CD-CD2 3.98Å; K201-L294 HydrophobicContact CD-CG 4.33Å
202A94.3Very high87.1Confident0 Ų045.5 Ų45.50%025%0.248CC..EExtended strand (participates in β ladder)trans-115.2123.9171.800000110.4V219 R220 I221 T282 V283A202-V219 HydrophobicContact CB-CB 4.05Å; A202-V219 HydrophobicContact CB-CG1 4.39Å; A202-V219 HydrophobicContact CB-CG2 4.4Å; A202-R220 CarbonylContact C-O 3.51Å; A202-R220 WeakPolarHBondContact CA-O 3.23Å; A202-I221 HydrophobicContact CB-CD1 3.51Å; A202-T282 CarbonylContact O-C 3.59Å; A202-T282 WeakPolarHBondContact O-CA 3.44Å; A202-V283 HydrophobicContact CB-CB 4.04Å; A202-V283 HydrophobicContact CB-CG2 4.48Å; A202-V283 PolarHBondContact N-O 3.04Å; A202-V283 PolarHBondContact O-N 2.79Å
203L91.6Very high86.5Confident8 Ų849.1 Ų49.14%0.04226%0.26CS..EExtended strand (participates in β ladder)trans-81122.4175-178.762.5000109.3F205 V219 R220 L294 Y297L203-F205 PolarHBondContact O-N 3.04Å; L203-V219 CarbonylContact O-C 3.55Å; L203-V219 WeakPolarHBondContact O-CA 3.42Å; L203-R220 PolarHBondContact N-O 3.33Å; L203-R220 PolarHBondContact O-N 3.01Å; L203-L294 HydrophobicContact CB-CD1 3.71Å; L203-L294 HydrophobicContact CD1-CB 4.43Å; L203-Y297 WeakPolarHBondContact CD2-OH 3.32Å
204I89.4Confident86.3Confident0 Ų044 Ų440%023%0.227CC..EExtended strand (participates in β ladder)trans-78.8111.6170.1-60.7164.7000107.9D206 L217 N218 V219 L234 G280 D281 V283 Y297I204-D206 WeakPolarHBondContact CG2-O 3.4Å; I204-L217 HydrophobicContact CD1-CD1 4.08Å; I204-L217 HydrophobicContact CD1-CD2 4.17Å; I204-L217 HydrophobicContact CG2-CD2 4.31Å; I204-N218 WeakPolarHBondContact CA-O 3.49Å; I204-V219 HydrophobicContact CG1-CG1 3.93Å; I204-L234 HydrophobicContact CD1-CD2 3.88Å; I204-G280 WeakPolarHBondContact O-CA 3.26Å; I204-G280 PolarHBondContact O-N 2.79Å; I204-D281 HydrophobicContact CD1-CB 4.21Å; I204-D281 PolarHBondContact N-O 2.95Å; I204-V283 HydrophobicContact CD1-CG2 3.66Å; I204-V283 HydrophobicContact CG1-CG2 3.67Å; I204-Y297 WeakPolarHBondContact O-CE2 3.41Å
205F83.4Confident86.2Confident1 Ų143.3 Ų43.30%0.00422%0.219CC..EExtended strand (participates in β ladder)trans-102.8-18.7177.864.3-98.5000113.4L65 A67 A103 L203 N218 R220 V264 V279 Y297L65-F205 HydrophobicContact CD1-CD2 3.61Å; L65-F205 HydrophobicContact CD1-CE2 3.53Å; A67-F205 HydrophobicContact CB-CE2 4.37Å; A67-F205 HydrophobicContact CB-CZ 4.16Å; A103-F205 HydrophobicContact CB-CD1 4.29Å; L203-F205 PolarHBondContact O-N 3.04Å; F205-N218 HydrophobicContact CD2-CB 4.28Å; F205-N218 HydrophobicContact CE1-CB 4.24Å; F205-N218 HydrophobicContact CE2-CB 3.69Å; F205-N218 HydrophobicContact CZ-CB 3.67Å; F205-N218 PolarHBondContact N-O 2.99Å; F205-R220 HydrophobicContact CD1-CB 4.44Å; F205-V264 HydrophobicContact CE1-CG1 3.65Å; F205-V264 HydrophobicContact CZ-CG1 3.54Å; F205-V279 VanDerWaalsContact C-CG1 3.45Å; F205-V279 WeakPolarHBondContact O-CG1 3.39Å; F205-Y297 VanDerWaalsContact CB-OH 3.29Å; F205-Y297 WeakPolarHBondContact CB-OH 3.29Å
206D80.7Confident86.1Confident3 Ų340 Ų402%0.01620%0.201CC..EExtended strand (participates in β ladder)trans-152.8160.4171.7-175.130.7000110.4K64 L65 I204 N218K64-D206 WeakPolarHBondContact CE-OD2 3.37Å; K64-D206 IonicContact NZ-OD2 3.05Å; L65-D206 HydrophobicContact CD1-CB 3.97Å; L65-D206 HydrophobicContact CD2-CB 4.18Å; L65-D206 HydrophobicContact CG-CB 4.37Å; I204-D206 WeakPolarHBondContact CG2-O 3.4Å; D206-N218 HydrophobicContact CB-CB 3.94Å; D206-N218 WeakPolarHBondContact O-CB 3.28Å; D206-N218 PolarHBondContact O-N 2.95Å; D206-N218 PolarHBondContact OD2-ND2 2.93Å; D206-N218 VanDerWaalsContact OD2-ND2 3.15Å
207S79.7Confident86.1Confident1 Ų139.6 Ų39.61%0.00720%0.2CC..EExtended strand (participates in β ladder)trans-147.4131.3175.458.90000110.9V216 L328 N329S207-V216 WeakPolarHBondContact CA-O 3.47Å; S207-L328 PolarHBondContact OG-O 3.08Å; S207-N329 PolarHBondContact O-OD1 3.42Å
208V78.2Confident86Confident43 Ų4335.6 Ų35.626%0.26118%0.178SC..EExtended strand (participates in β ladder)trans-122.8137.5-177-176.30000110V216V208-V216 PolarHBondContact N-O 2.89Å; V208-V216 PolarHBondContact O-N 2.88Å
209Y76.5Confident86.1Confident97 Ų9734.4 Ų34.438%0.3817%0.168SC..EExtended strand (participates in β ladder)trans-84.7120172.1-173.4-93000111.1V215 V274Y209-V215 HydrophobicContact CD2-CG2 4.34Å; Y209-V274 HydrophobicContact CD2-CG2 3.97Å
210D80.3Confident86Confident36 Ų3634.1 Ų34.119%0.19316%0.162CC..EExtended strand (participates in β ladder)trans-107.6132.6172.7-178.4-68.5000109.4Y212 R213 G214 V216D210-Y212 PolarHBondContact O-N 2.84Å; D210-Y212 VanDerWaalsContact O-N 3.16Å; D210-Y212 WeakPolarHBondContact OD1-CA 3.18Å; D210-Y212 WeakPolarHBondContact OD1-CB 3.28Å; D210-Y212 PolarHBondContact OD1-N 2.75Å; D210-R213 HydrophobicContact CB-CB 4.02Å; D210-R213 PolarHBondContact OD1-N 3.07Å; D210-R213 IonicContact OD1-NE 3.97Å; D210-R213 IonicContact OD2-CZ 3.15Å; D210-R213 IonicContact OD2-NE 2.71Å; D210-R213 PolarHBondContact OD2-NE 3.13Å; D210-R213 IonicContact OD2-NH2 2.7Å; D210-R213 PolarHBondContact OD2-NH2 3.43Å; D210-G214 PolarHBondContact N-O 3.37Å; D210-G214 VanDerWaalsContact O-CA 3.3Å; D210-G214 WeakPolarHBondContact O-CA 3.35Å; D210-G214 PolarHBondContact O-N 3.05Å; D210-V216 HydrophobicContact CB-CG2 3.82Å
211S75.6Confident86Confident102 Ų10234.1 Ų34.171%0.71316%0.162SC*.THydrogen-bonded Turntrans-63.5-23.4-175.3-65.40000113.9
212Y80.3Confident85.9Confident223 Ų22333.4 Ų33.488%0.87516%0.162SC*.THydrogen-bonded Turntrans-103.4-40-178.8-60.7-81.1000112.2D210D210-Y212 PolarHBondContact O-N 2.84Å; D210-Y212 VanDerWaalsContact O-N 3.16Å; D210-Y212 WeakPolarHBondContact OD1-CA 3.18Å; D210-Y212 WeakPolarHBondContact OD1-CB 3.28Å; D210-Y212 PolarHBondContact OD1-N 2.75Å
213R81.1Confident85.9Confident81 Ų8134.5 Ų34.531%0.30617%0.168SC..THydrogen-bonded Turntrans-90.6-12.2-175.8-64.4177.6-74.7174.61.1113.5D210 V216 T268D210-R213 HydrophobicContact CB-CB 4.02Å; D210-R213 PolarHBondContact OD1-N 3.07Å; D210-R213 IonicContact OD1-NE 3.97Å; D210-R213 IonicContact OD2-CZ 3.15Å; D210-R213 IonicContact OD2-NE 2.71Å; D210-R213 PolarHBondContact OD2-NE 3.13Å; D210-R213 IonicContact OD2-NH2 2.7Å; D210-R213 PolarHBondContact OD2-NH2 3.43Å; R213-V216 HydrophobicContact CB-CG2 4.2Å; R213-T268 HydrophobicContact CB-CG2 4.22Å
214G84.2Confident86Confident12 Ų1234.1 Ų34.112%0.12417%0.166CC..EExtended strand (participates in β ladder)trans75-144.5-170.500000110.6D210 V216D210-G214 PolarHBondContact N-O 3.37Å; D210-G214 VanDerWaalsContact O-CA 3.3Å; D210-G214 WeakPolarHBondContact O-CA 3.35Å; D210-G214 PolarHBondContact O-N 3.05Å; G214-V216 PolarHBondContact O-N 2.78Å
215V85.7Confident86.2Confident0 Ų035.5 Ų35.50%017%0.173CC..EExtended strand (participates in β ladder)trans-72.7122.6176.4-171.50000110.5Y209 L217 I271 V274 T277Y209-V215 HydrophobicContact CD2-CG2 4.34Å; V215-L217 HydrophobicContact CG1-CD2 3.89Å; V215-I271 HydrophobicContact CB-CB 4.02Å; V215-I271 HydrophobicContact CB-CG2 4.07Å; V215-I271 HydrophobicContact CG2-CB 4.28Å; V215-I271 HydrophobicContact CG2-CG2 3.93Å; V215-I271 PolarHBondContact N-O 3.03Å; V215-V274 HydrophobicContact CG1-CG1 3.97Å; V215-V274 HydrophobicContact CG2-CB 3.79Å; V215-V274 HydrophobicContact CG2-CG1 3.73Å; V215-V274 HydrophobicContact CG2-CG2 3.3Å; V215-T277 HydrophobicContact CG1-CG2 4.4Å
216V88.9Confident86.8Confident7 Ų735.4 Ų35.44%0.04217%0.173CC..EExtended strand (participates in β ladder)trans-97.2118.7170.8-175.50000107.8S207 V208 D210 R213 G214 Y266 T268S207-V216 WeakPolarHBondContact CA-O 3.47Å; V208-V216 PolarHBondContact N-O 2.89Å; V208-V216 PolarHBondContact O-N 2.88Å; D210-V216 HydrophobicContact CB-CG2 3.82Å; R213-V216 HydrophobicContact CB-CG2 4.2Å; G214-V216 PolarHBondContact O-N 2.78Å; V216-Y266 HydrophobicContact CG1-CD2 4Å; V216-Y266 HydrophobicContact CG1-CG 4.08Å; V216-T268 HydrophobicContact CB-CG2 4.34Å; V216-T268 HydrophobicContact CG1-CG2 4.09Å; V216-T268 HydrophobicContact CG2-CG2 3.91Å
217L90.3Very high87.5Confident0 Ų041 Ų410%019%0.194CC..EExtended strand (participates in β ladder)trans-93.3118.9179.8-59177.4000109.5I204 V215 V219 L234 Y266 I267 I271 T277 V283I204-L217 HydrophobicContact CD1-CD1 4.08Å; I204-L217 HydrophobicContact CD1-CD2 4.17Å; I204-L217 HydrophobicContact CG2-CD2 4.31Å; V215-L217 HydrophobicContact CG1-CD2 3.89Å; L217-V219 HydrophobicContact CB-CG1 4.03Å; L217-L234 HydrophobicContact CD1-CD2 4.49Å; L217-Y266 CarbonylContact O-C 3.32Å; L217-Y266 WeakPolarHBondContact O-CA 3.46Å; L217-I267 HydrophobicContact CB-CB 4.45Å; L217-I267 PolarHBondContact N-O 3.09Å; L217-I267 PolarHBondContact O-N 2.95Å; L217-I271 HydrophobicContact CD1-CD1 3.87Å; L217-I271 HydrophobicContact CG-CD1 4.31Å; L217-T277 HydrophobicContact CD1-CG2 4.4Å; L217-T277 HydrophobicContact CD2-CG2 3.68Å; L217-V283 HydrophobicContact CD1-CG2 4.34Å
218N89.8Confident88.3Confident15 Ų1543.7 Ų43.78%0.0821%0.212CC..EExtended strand (participates in β ladder)trans-86.1122.5170.4-65-24.5000108.4I204 F205 D206 F249 G265I204-N218 WeakPolarHBondContact CA-O 3.49Å; F205-N218 HydrophobicContact CD2-CB 4.28Å; F205-N218 HydrophobicContact CE1-CB 4.24Å; F205-N218 HydrophobicContact CE2-CB 3.69Å; F205-N218 HydrophobicContact CZ-CB 3.67Å; F205-N218 PolarHBondContact N-O 2.99Å; D206-N218 HydrophobicContact CB-CB 3.94Å; D206-N218 WeakPolarHBondContact O-CB 3.28Å; D206-N218 PolarHBondContact O-N 2.95Å; D206-N218 PolarHBondContact OD2-ND2 2.93Å; D206-N218 VanDerWaalsContact OD2-ND2 3.15Å; N218-F249 WeakPolarHBondContact OD1-CE2 3.37Å; N218-G265 CarbonylContact C-O 3.52Å; N218-G265 WeakPolarHBondContact CA-O 3.35Å
219V92.3Very high89Confident0 Ų044.7 Ų44.70%023%0.23CC..EExtended strand (participates in β ladder)trans-134.5147.3-168-60.70000113.2A202 L203 I204 L217 I221 L259 V264 G265 I267 V283A202-V219 HydrophobicContact CB-CB 4.05Å; A202-V219 HydrophobicContact CB-CG1 4.39Å; A202-V219 HydrophobicContact CB-CG2 4.4Å; L203-V219 CarbonylContact O-C 3.55Å; L203-V219 WeakPolarHBondContact O-CA 3.42Å; I204-V219 HydrophobicContact CG1-CG1 3.93Å; L217-V219 HydrophobicContact CB-CG1 4.03Å; V219-I221 HydrophobicContact CG2-CD1 4.01Å; V219-L259 HydrophobicContact CG2-CD1 4.29Å; V219-V264 WeakPolarHBondContact O-CA 3.36Å; V219-G265 PolarHBondContact N-O 2.86Å; V219-G265 PolarHBondContact O-N 2.89Å; V219-I267 HydrophobicContact CB-CD1 4.49Å; V219-I267 HydrophobicContact CG1-CD1 4.18Å; V219-I267 HydrophobicContact CG2-CD1 3.68Å; V219-I267 HydrophobicContact CG2-CG1 3.72Å; V219-V283 HydrophobicContact CG1-CG2 4.41Å
220R93.1Very high89.9Confident34 Ų3442.1 Ų42.113%0.12822%0.223CC..EExtended strand (participates in β ladder)trans-103.6127.1163171.3-174.7-177.1-167.27.5108.6A102 A103 C104 E105 A202 L203 F205 T222 V264A102-R220 PolarHBondContact O-NH1 2.67Å; A103-R220 VanDerWaalsContact CA-CD 3.48Å; A103-R220 HydrophobicContact CB-CB 4.33Å; A103-R220 VanDerWaalsContact O-CD 3.24Å; A103-R220 WeakPolarHBondContact O-CD 3.13Å; A103-R220 PolarHBondContact O-NE 2.74Å; C104-R220 PolarHBondContact O-NH2 2.9Å; E105-R220 IonicContact OE1-CZ 2.75Å; E105-R220 IonicContact OE1-NH2 2.58Å; E105-R220 PolarHBondContact OE1-NH2 3.49Å; E105-R220 IonicContact OE2-NH2 3.75Å; A202-R220 CarbonylContact C-O 3.51Å; A202-R220 WeakPolarHBondContact CA-O 3.23Å; L203-R220 PolarHBondContact N-O 3.33Å; L203-R220 PolarHBondContact O-N 3.01Å; F205-R220 HydrophobicContact CD1-CB 4.44Å; R220-T222 PolarHBondContact O-N 3.33Å; R220-V264 HydrophobicContact CB-CG2 4.49Å
221I95Very high90.6Very high1 Ų145.3 Ų45.31%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-82.9111.6172.7-49.3-50000109.2L200 A202 V219 D223 G224 V226 L259 M260 G262 D263L200-I221 HydrophobicContact CD1-CD1 4.34Å; L200-I221 HydrophobicContact CD1-CG2 4.16Å; A202-I221 HydrophobicContact CB-CD1 3.51Å; V219-I221 HydrophobicContact CG2-CD1 4.01Å; I221-D223 WeakPolarHBondContact CG2-O 3.36Å; I221-G224 WeakPolarHBondContact CG2-O 3.43Å; I221-V226 HydrophobicContact CD1-CG1 4.01Å; I221-L259 HydrophobicContact CD1-CB 4.16Å; I221-L259 HydrophobicContact CG1-CB 3.74Å; I221-M260 VanDerWaalsContact CB-O 3.31Å; I221-M260 WeakPolarHBondContact CB-O 3.39Å; I221-G262 PolarHBondContact O-N 3.45Å; I221-D263 PolarHBondContact N-O 3.32Å
222T93.1Very high91.6Very high37 Ų3740.4 Ų40.423%0.22720%0.201CC..EExtended strand (participates in β ladder)trans-87.4-46.3174.5-53.70000110.8G194 K201 R220 V261 L294G194-T222 VanDerWaalsContact CA-O 3.3Å; G194-T222 WeakPolarHBondContact CA-O 3.1Å; K201-T222 PolarHBondContact O-N 2.75Å; R220-T222 PolarHBondContact O-N 3.33Å; T222-V261 WeakPolarHBondContact O-CG1 3.45Å; T222-L294 HydrophobicContact CG2-CD2 4.13Å; T222-L294 WeakPolarHBondContact OG1-CD1 3.32Å
223D94.3Very high92.2Very high23 Ų2332.1 Ų32.112%0.12317%0.17CC..EExtended strand (participates in β ladder)trans-132.4150.4179.3-72.4-38.6000110.2D195 A198 L200 K201 I221D195-D223 PolarHBondContact N-OD1 3.42Å; D195-D223 VanDerWaalsContact N-OD1 3.1Å; A198-D223 HydrophobicContact CB-CB 4.1Å; L200-D223 CarbonylContact C-O 3.53Å; L200-D223 WeakPolarHBondContact CA-O 3.47Å; K201-D223 HydrophobicContact CB-CB 4.1Å; K201-D223 HydrophobicContact CD-CB 4.44Å; K201-D223 WeakPolarHBondContact CD-OD2 3.25Å; K201-D223 HydrophobicContact CG-CB 4.23Å; K201-D223 PolarHBondContact N-O 3.16Å; K201-D223 IonicContact NZ-OD2 3.22Å; K201-D223 PolarHBondContact NZ-OD2 3.36Å; K201-D223 PolarHBondContact O-N 3.41Å; I221-D223 WeakPolarHBondContact CG2-O 3.36Å
224G93.8Very high92.8Very high1 Ų128.3 Ų28.31%0.0116%0.156CC..SBendtrans73.8-159.917300000115.1D195 A198 I221 V261D195-G224 PolarHBondContact O-N 2.82Å; A198-G224 WeakPolarHBondContact O-CA 3.44Å; I221-G224 WeakPolarHBondContact CG2-O 3.43Å; G224-V261 PolarHBondContact O-N 2.81Å
225I94.8Very high93.2Very high28 Ų2830.4 Ų30.414%0.14416%0.163CC..EExtended strand (participates in β ladder)trans-142.7141.3-173.9-55.7175.2000108.7M6 L196 R227 Y258 L259 M260M6-I225 HydrophobicContact CE-CD1 4.19Å; M6-I225 HydrophobicContact SD-CD1 3.55Å; M6-I225 VanDerWaalsContact SD-CD1 3.55Å; L196-I225 HydrophobicContact CD2-CD1 4.19Å; L196-I225 HydrophobicContact CD2-CG1 4.06Å; I225-R227 HydrophobicContact CG2-CG 4.3Å; I225-Y258 HydrophobicContact CG2-CD2 4.45Å; I225-L259 WeakPolarHBondContact CA-O 3.48Å; I225-L259 WeakPolarHBondContact CG2-O 3.03Å; I225-M260 HydrophobicContact CG1-CB 4.11Å
226V95.5Very high93.2Very high0 Ų033 Ų330%018%0.181CC..EExtended strand (participates in β ladder)trans-124.1140.6172.5630000111L200 I221 I232 V243 V246 Y258 L259 I267L200-V226 HydrophobicContact CD1-CB 4.05Å; L200-V226 HydrophobicContact CD1-CG1 4.46Å; L200-V226 HydrophobicContact CD2-CB 3.83Å; L200-V226 HydrophobicContact CD2-CG2 4.13Å; I221-V226 HydrophobicContact CD1-CG1 4.01Å; V226-I232 HydrophobicContact CG2-CG2 4.1Å; V226-V243 HydrophobicContact CG2-CG2 4.07Å; V226-V246 HydrophobicContact CG1-CG1 4.37Å; V226-V246 HydrophobicContact CG2-CG1 4.46Å; V226-Y258 CarbonylContact O-C 3.45Å; V226-Y258 VanDerWaalsContact O-CA 3.24Å; V226-Y258 WeakPolarHBondContact O-CA 3.18Å; V226-L259 HydrophobicContact CG1-CB 3.83Å; V226-L259 HydrophobicContact CG1-CD1 4.46Å; V226-L259 PolarHBondContact N-O 3.02Å; V226-L259 PolarHBondContact O-N 2.83Å; V226-I267 HydrophobicContact CG1-CD1 4.01Å; V226-I267 HydrophobicContact CG1-CG1 4.48Å; V226-I267 HydrophobicContact CG2-CD1 4.32Å
227R95.6Very high93.2Very high119 Ų11935.7 Ų35.745%0.44920%0.196SC..  trans-132.5156.1-177.9-54.9-173.8-178.8167.82.3111.6I225 G229 D230I225-R227 HydrophobicContact CG2-CG 4.3Å; R227-G229 PolarHBondContact O-N 3Å; R227-D230 PolarHBondContact N-OD2 3.49Å; R227-D230 WeakPolarHBondContact O-CB 3.43Å; R227-D230 PolarHBondContact O-N 3.29Å; R227-D230 VanDerWaalsContact O-N 3.08Å
228P95.4Very high93.2Very high59 Ų5937.3 Ų37.338%0.38321%0.212SC..THydrogen-bonded Turntrans-54.9131.5165.3-22.835.2000110.8V246 D257P228-V246 HydrophobicContact CG-CG2 4.11Å; P228-D257 WeakPolarHBondContact CD-O 3.42Å
229G93.6Very high93.3Very high63 Ų6341 Ų4165%0.64923%0.227SC*.THydrogen-bonded Turntrans93.5-10.7-175.200000115.1R227 V243R227-G229 PolarHBondContact O-N 3Å; G229-V243 PolarHBondContact N-O 3.48Å
230D95.1Very high93.3Very high43 Ų4343.7 Ų43.723%0.2324%0.244CC..  trans-68.5146.7173-74.7-21.9000111.1R227 V243 L285R227-D230 PolarHBondContact N-OD2 3.49Å; R227-D230 WeakPolarHBondContact O-CB 3.43Å; R227-D230 PolarHBondContact O-N 3.29Å; R227-D230 VanDerWaalsContact O-N 3.08Å; D230-V243 WeakPolarHBondContact O-CG2 3.48Å; D230-V243 PolarHBondContact O-N 3.25Å; D230-L285 HydrophobicContact CB-CD2 3.78Å
231K95.9Very high93.4Very high103 Ų10343.7 Ų43.745%0.44825%0.245SC..EExtended strand (participates in β ladder)trans-95.7105173.1-169.4170.1-175.4173.20109.6T240 F241 A286K231-T240 WeakPolarHBondContact CE-OG1 3.46Å; K231-F241 CarbonylContact C-O 3.49Å; K231-F241 WeakPolarHBondContact CA-O 3.42Å; K231-A286 HydrophobicContact CB-CB 4.38Å; K231-A286 HydrophobicContact CD-CB 4.38Å; K231-A286 HydrophobicContact CG-CB 3.98Å; K231-A286 WeakPolarHBondContact O-CB 3.3Å; K231-A286 PolarHBondContact O-N 3.3Å
232I95.8Very high93.4Very high0 Ų048.3 Ų48.30%027%0.27CS..EExtended strand (participates in β ladder)trans-87.5157.3179.157.3165.9000111.5L200 V226 T240 F241 V243 I267 A269 V283 T284 L285L200-I232 HydrophobicContact CD2-CG2 4.3Å; V226-I232 HydrophobicContact CG2-CG2 4.1Å; I232-T240 CarbonylContact O-C 3.56Å; I232-T240 WeakPolarHBondContact O-CA 2.94Å; I232-T240 WeakPolarHBondContact O-CB 3.16Å; I232-F241 HydrophobicContact CD1-CB 4.47Å; I232-F241 HydrophobicContact CG1-CB 4.14Å; I232-F241 VanDerWaalsContact CG1-O 3.28Å; I232-F241 WeakPolarHBondContact CG1-O 3.48Å; I232-F241 PolarHBondContact N-O 3.09Å; I232-F241 PolarHBondContact O-N 2.87Å; I232-V243 HydrophobicContact CB-CG2 4.24Å; I232-V243 HydrophobicContact CD1-CG2 4Å; I232-V243 HydrophobicContact CG1-CG2 3.86Å; I232-V243 HydrophobicContact CG2-CG2 3.46Å; I232-V243 VanDerWaalsContact CG2-CG2 3.46Å; I232-I267 HydrophobicContact CD1-CG2 4.18Å; I232-A269 HydrophobicContact CD1-CB 3.95Å; I232-A269 HydrophobicContact CG1-CB 4.46Å; I232-V283 HydrophobicContact CB-CG1 3.6Å; I232-V283 HydrophobicContact CD1-CG1 3.77Å; I232-V283 HydrophobicContact CG1-CG1 4.25Å; I232-V283 HydrophobicContact CG2-CG1 3.77Å; I232-T284 CarbonylContact C-O 3.2Å; I232-T284 VanDerWaalsContact CA-O 3.25Å; I232-T284 WeakPolarHBondContact CA-O 3.38Å; I232-L285 HydrophobicContact CG2-CD2 4.34Å
233Q93.9Very high93.5Very high49 Ų4946.8 Ų46.823%0.22926%0.261CS..EExtended strand (participates in β ladder)trans-129.6133.8173.8-174.4175.427.300109.5G238 K239 T240 T284 A286Q233-G238 PolarHBondContact NE2-O 3.48Å; Q233-K239 WeakPolarHBondContact CA-O 3.47Å; Q233-T240 HydrophobicContact CB-CG2 4.1Å; Q233-T240 HydrophobicContact CG-CG2 4.08Å; Q233-T284 HydrophobicContact CB-CG2 4.14Å; Q233-T284 PolarHBondContact N-O 2.87Å; Q233-T284 PolarHBondContact O-N 2.83Å; Q233-A286 HydrophobicContact CB-CB 4.21Å
234L93Very high93.5Very high0 Ų049.2 Ų49.20%028%0.276CS..EExtended strand (participates in β ladder)trans-86.1124170.9-63.2179.6000109.4I204 L217 S236 G238 K239 F241 D276 T277 V283I204-L234 HydrophobicContact CD1-CD2 3.88Å; L217-L234 HydrophobicContact CD1-CD2 4.49Å; L234-S236 VanDerWaalsContact C-N 3.34Å; L234-S236 PolarHBondContact O-N 2.88Å; L234-G238 WeakPolarHBondContact O-CA 3.34Å; L234-G238 PolarHBondContact O-N 2.98Å; L234-K239 PolarHBondContact N-O 3.22Å; L234-F241 HydrophobicContact CD1-CD2 4.31Å; L234-F241 HydrophobicContact CD1-CE2 3.74Å; L234-F241 HydrophobicContact CG-CD2 4.45Å; L234-F241 HydrophobicContact CG-CE2 4.25Å; L234-D276 WeakPolarHBondContact CD1-O 3.41Å; L234-T277 HydrophobicContact CD1-CG2 3.71Å; L234-V283 HydrophobicContact CD2-CG2 3.83Å
235M91.6Very high93.5Very high57 Ų5750.9 Ų50.928%0.28128%0.284SS..THydrogen-bonded Turntrans-71.4-27.4-173.1-67.3-169.276.100112.8N237 T282 T284 A290 A293M235-N237 PolarHBondContact O-N 3.41Å; M235-T282 HydrophobicContact CG-CG2 4.45Å; M235-T282 WeakPolarHBondContact CG-O 3.33Å; M235-T282 PolarHBondContact N-O 3.4Å; M235-T282 HydrophobicContact SD-CG2 3.74Å; M235-T284 HydrophobicContact CG-CG2 3.84Å; M235-T284 HydrophobicContact SD-CG2 4.22Å; M235-A290 WeakPolarHBondContact CE-O 3.26Å; M235-A290 HydrophobicContact SD-CB 4.26Å; M235-A293 HydrophobicContact CB-CB 4.21Å; M235-A293 HydrophobicContact CE-CB 3.99Å; M235-A293 HydrophobicContact SD-CB 3.8Å
236S86.5Confident93.5Very high54 Ų5449.6 Ų49.638%0.37828%0.277SS..THydrogen-bonded Turntrans-67.3-31.6-178.7690000114.8L234 D281L234-S236 VanDerWaalsContact C-N 3.34Å; L234-S236 PolarHBondContact O-N 2.88Å; S236-D281 WeakPolarHBondContact CB-OD1 3.41Å; S236-D281 WeakPolarHBondContact CB-OD2 3.22Å; S236-D281 PolarHBondContact N-OD1 3.5Å; S236-D281 PolarHBondContact N-OD2 2.8Å; S236-D281 VanDerWaalsContact OG-CG 3.25Å; S236-D281 PolarHBondContact OG-OD2 3.32Å
237N88.4Confident93.5Very high64 Ų6449.6 Ų49.634%0.34228%0.277SS..THydrogen-bonded Turntrans-131.8-3.7-175.364.823000114.1M235 K239 D276M235-N237 PolarHBondContact O-N 3.41Å; N237-K239 PolarHBondContact O-N 2.96Å; N237-K239 WeakPolarHBondContact OD1-CB 3.37Å; N237-K239 PolarHBondContact OD1-N 2.87Å; N237-D276 WeakPolarHBondContact ND2-CA 3.35Å; N237-D276 PolarHBondContact ND2-O 2.84Å
238G89.9Confident93.4Very high34 Ų3444 Ų4435%0.35126%0.256SS..  trans71.84.6178.100000115.2Q233 L234Q233-G238 PolarHBondContact NE2-O 3.48Å; L234-G238 WeakPolarHBondContact O-CA 3.34Å; L234-G238 PolarHBondContact O-N 2.98Å
239K91.8Very high93.1Very high91 Ų9143.7 Ų43.740%0.39625%0.249SC..  trans-69.9143.6179.9-71.4-176.8168.4-175.80110.9Q233 L234 N237 F241 D276Q233-K239 WeakPolarHBondContact CA-O 3.47Å; L234-K239 PolarHBondContact N-O 3.22Å; N237-K239 PolarHBondContact O-N 2.96Å; N237-K239 WeakPolarHBondContact OD1-CB 3.37Å; N237-K239 PolarHBondContact OD1-N 2.87Å; K239-F241 HydrophobicContact CB-CE2 3.74Å; K239-F241 HydrophobicContact CB-CZ 3.96Å; K239-F241 HydrophobicContact CD-CZ 4.36Å; K239-D276 HydrophobicContact CD-CB 3.94Å; K239-D276 VanDerWaalsContact CD-CG 3.42Å; K239-D276 VanDerWaalsContact CD-OD2 3.31Å; K239-D276 WeakPolarHBondContact CD-OD2 2.97Å; K239-D276 IonicContact NZ-OD1 2.64Å; K239-D276 PolarHBondContact NZ-OD1 3.16Å; K239-D276 IonicContact NZ-OD2 3.62Å; K239-D276 PolarHBondContact NZ-OD2 2.68Å
240T93.5Very high92.6Very high58 Ų5842.3 Ų42.336%0.35623%0.229SC..EExtended strand (participates in β ladder)trans-114.3142-178.664.60000111.8K231 I232 Q233 A286K231-T240 WeakPolarHBondContact CE-OG1 3.46Å; I232-T240 CarbonylContact O-C 3.56Å; I232-T240 WeakPolarHBondContact O-CA 2.94Å; I232-T240 WeakPolarHBondContact O-CB 3.16Å; Q233-T240 HydrophobicContact CB-CG2 4.1Å; Q233-T240 HydrophobicContact CG-CG2 4.08Å; T240-A286 HydrophobicContact CG2-CB 3.87Å
241F94.1Very high91.6Very high33 Ų3342.4 Ų42.415%0.14523%0.232CC..EExtended strand (participates in β ladder)trans-137.7152.7179.9-56.7-83.6000110.6K231 I232 L234 K239 A269 I271 D276K231-F241 CarbonylContact C-O 3.49Å; K231-F241 WeakPolarHBondContact CA-O 3.42Å; I232-F241 HydrophobicContact CD1-CB 4.47Å; I232-F241 HydrophobicContact CG1-CB 4.14Å; I232-F241 VanDerWaalsContact CG1-O 3.28Å; I232-F241 WeakPolarHBondContact CG1-O 3.48Å; I232-F241 PolarHBondContact N-O 3.09Å; I232-F241 PolarHBondContact O-N 2.87Å; L234-F241 HydrophobicContact CD1-CD2 4.31Å; L234-F241 HydrophobicContact CD1-CE2 3.74Å; L234-F241 HydrophobicContact CG-CD2 4.45Å; L234-F241 HydrophobicContact CG-CE2 4.25Å; K239-F241 HydrophobicContact CB-CE2 3.74Å; K239-F241 HydrophobicContact CB-CZ 3.96Å; K239-F241 HydrophobicContact CD-CZ 4.36Å; F241-A269 HydrophobicContact CB-CB 3.64Å; F241-I271 HydrophobicContact CB-CG1 4.26Å; F241-I271 HydrophobicContact CD1-CG1 3.69Å; F241-I271 HydrophobicContact CD2-CD1 4.16Å; F241-I271 HydrophobicContact CD2-CG1 4.04Å; F241-I271 HydrophobicContact CE1-CB 4.43Å; F241-I271 HydrophobicContact CE1-CG1 3.96Å; F241-I271 HydrophobicContact CE1-CG2 4.28Å; F241-I271 HydrophobicContact CE2-CD1 4.45Å; F241-I271 HydrophobicContact CE2-CG1 4.3Å; F241-I271 HydrophobicContact CG-CD1 4.27Å; F241-I271 HydrophobicContact CG-CG1 3.72Å; F241-I271 HydrophobicContact CZ-CG1 4.25Å; F241-I271 HydrophobicContact CZ-CG2 4.29Å; F241-D276 HydrophobicContact CZ-CB 4.15Å
242D95.1Very high90.9Very high99 Ų9943.9 Ų43.953%0.52924%0.239SC..EExtended strand (participates in β ladder)trans-95.7120.9177.3-60.6-61.1000109T244 A269D242-T244 PolarHBondContact O-N 3.03Å; D242-A269 CarbonylContact O-C 3.52Å; D242-A269 WeakPolarHBondContact O-CA 3.16Å; D242-A269 WeakPolarHBondContact O-CB 3.36Å
243V95.3Very high90.5Very high5 Ų546.2 Ų46.23%0.0326%0.258CS..  trans-66.9120.8-177.8178.30000109.6V226 G229 D230 I232 V246 I267 T268V226-V243 HydrophobicContact CG2-CG2 4.07Å; G229-V243 PolarHBondContact N-O 3.48Å; D230-V243 WeakPolarHBondContact O-CG2 3.48Å; D230-V243 PolarHBondContact O-N 3.25Å; I232-V243 HydrophobicContact CB-CG2 4.24Å; I232-V243 HydrophobicContact CD1-CG2 4Å; I232-V243 HydrophobicContact CG1-CG2 3.86Å; I232-V243 HydrophobicContact CG2-CG2 3.46Å; I232-V243 VanDerWaalsContact CG2-CG2 3.46Å; V243-V246 HydrophobicContact CG1-CG1 3.53Å; V243-I267 HydrophobicContact CG1-CG2 3.99Å; V243-I267 HydrophobicContact CG2-CG2 3.99Å; V243-T268 CarbonylContact C-O 3.59Å; V243-T268 WeakPolarHBondContact CA-O 3.19Å
244T94Very high90.3Very high74 Ų7446.7 Ų46.745%0.45426%0.264SS..  trans-88.1-39.5178.143.20000112.2D242 T268 S270D242-T244 PolarHBondContact O-N 3.03Å; T244-T268 PolarHBondContact N-O 3.45Å; T244-T268 VanDerWaalsContact OG1-C 3.25Å; T244-T268 PolarHBondContact OG1-O 2.88Å; T244-T268 PolarHBondContact OG1-OG1 3.29Å; T244-S270 WeakPolarHBondContact CG2-OG 2.91Å
245E94.3Very high90.3Very high36 Ų3653 Ų5317%0.16829%0.294CS..EExtended strand (participates in β ladder)trans-157.7142.6-174.7169-171.915700109.3Q255 Y266 T268E245-Q255 HydrophobicContact CG-CG 3.88Å; E245-Q255 WeakPolarHBondContact OE1-CG 3.15Å; E245-Q255 PolarHBondContact OE1-NE2 3.47Å; E245-Q255 PolarHBondContact OE2-NE2 3.16Å; E245-Y266 HydrophobicContact CG-CE2 4.13Å; E245-Y266 WeakPolarHBondContact OE1-CE2 3.38Å; E245-Y266 PolarHBondContact OE1-OH 2.87Å; E245-T268 WeakPolarHBondContact CB-OG1 3.26Å; E245-T268 PolarHBondContact N-O 2.93Å; E245-T268 PolarHBondContact N-OG1 3.07Å; E245-T268 PolarHBondContact O-N 2.88Å; E245-T268 PolarHBondContact O-OG1 2.88Å
246V95.9Very high90.4Very high1 Ų154.7 Ų54.71%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-124.6151.9168.9-54.60000108.8V226 P228 V243 R256 L259 Y266 I267V226-V246 HydrophobicContact CG1-CG1 4.37Å; V226-V246 HydrophobicContact CG2-CG1 4.46Å; P228-V246 HydrophobicContact CG-CG2 4.11Å; V243-V246 HydrophobicContact CG1-CG1 3.53Å; V246-R256 VanDerWaalsContact CG2-O 3.31Å; V246-R256 WeakPolarHBondContact CG2-O 3.43Å; V246-R256 PolarHBondContact O-N 3.46Å; V246-L259 HydrophobicContact CB-CD1 4.04Å; V246-L259 HydrophobicContact CB-CG 4.02Å; V246-L259 HydrophobicContact CG2-CG 4.24Å; V246-Y266 WeakPolarHBondContact CA-O 3.28Å; V246-I267 HydrophobicContact CG1-CG1 4.24Å
247G94.5Very high90.7Very high0 Ų058.8 Ų58.80%031%0.314CS..EExtended strand (participates in β ladder)trans-171.9-174.917900000113.2V254 G265 Y266G247-V254 CarbonylContact C-O 3.54Å; G247-V254 WeakPolarHBondContact CA-O 3.46Å; G247-G265 CarbonylContact O-C 3.58Å; G247-G265 WeakPolarHBondContact O-CA 3.3Å; G247-Y266 PolarHBondContact N-O 2.78Å; G247-Y266 WeakPolarHBondContact O-CD1 3.18Å; G247-Y266 PolarHBondContact O-N 3.34Å
248V92.8Very high91Very high1 Ų157.8 Ų57.81%0.00631%0.306CS..EExtended strand (participates in β ladder)trans-130.4162.3179.2-63.20000109.2E69 V254 R256 L259E69-V248 HydrophobicContact CB-CB 4.28Å; E69-V248 HydrophobicContact CB-CG2 4.36Å; E69-V248 WeakPolarHBondContact OE1-CG2 3.45Å; V248-V254 HydrophobicContact CG2-CB 4.39Å; V248-V254 PolarHBondContact N-O 2.87Å; V248-V254 PolarHBondContact O-N 2.93Å; V248-R256 HydrophobicContact CG1-CG 4.36Å; V248-R256 HydrophobicContact CG2-CG 4.11Å; V248-L259 HydrophobicContact CG1-CD2 3.79Å
249F89.4Confident91.2Very high53 Ų5356.2 Ų56.223%0.23229%0.289CS..EExtended strand (participates in β ladder)trans-100.5123.8174.8-65.9-77.4000109.5A67 V68 E69 N218 K252 A253 Y266A67-F249 WeakPolarHBondContact O-CB 3.1Å; V68-F249 CarbonylContact C-O 3.54Å; V68-F249 WeakPolarHBondContact CA-O 3.43Å; E69-F249 PolarHBondContact N-O 2.83Å; N218-F249 WeakPolarHBondContact OD1-CE2 3.37Å; F249-K252 WeakPolarHBondContact CA-O 3.27Å; F249-A253 HydrophobicContact CD1-CB 4.13Å; F249-A253 HydrophobicContact CE1-CB 3.97Å; F249-Y266 HydrophobicContact CD2-CD1 4.11Å; F249-Y266 HydrophobicContact CE1-CD1 4.14Å; F249-Y266 HydrophobicContact CE1-CE1 4.43Å; F249-Y266 AromaticContact CE2-CD1 3.61Å; F249-Y266 HydrophobicContact CE2-CD1 3.61Å; F249-Y266 HydrophobicContact CE2-CG 4.18Å; F249-Y266 AromaticContact CZ-CD1 3.62Å; F249-Y266 HydrophobicContact CZ-CD1 3.62Å; F249-Y266 HydrophobicContact CZ-CE1 4.34Å; F249-Y266 HydrophobicContact CZ-CG 4.12Å
250S84.4Confident91.3Very high33 Ų3351.9 Ų51.923%0.23127%0.271CS..SBendtrans-146.180178.2-167.40000112.3E69 K252E69-S250 WeakPolarHBondContact O-CB 3.47Å; E69-S250 PolarHBondContact O-OG 2.91Å; S250-K252 PolarHBondContact N-O 2.98Å; S250-K252 PolarHBondContact O-N 2.96Å
251P73.9Confident91.4Very high45 Ų4549.1 Ų49.129%0.29225%0.254SS..SBendcis-64.5-12.4-43.732.8-36.1000112.8V40 V68V40-P251 HydrophobicContact CG2-CG 3.86Å; V68-P251 HydrophobicContact CG1-CB 4.23Å; V68-P251 HydrophobicContact CG2-CB 4.44Å
252K81.4Confident91.2Very high135 Ų13547.6 Ų47.659%0.58725%0.247SC*.SBendtrans-79.3157.1172.2-67.9170.8-177.1158.40109.9E44 F249 S250 V254E44-K252 IonicContact OE1-NZ 4Å; E44-K252 PolarHBondContact OE1-NZ 2.92Å; F249-K252 WeakPolarHBondContact CA-O 3.27Å; S250-K252 PolarHBondContact N-O 2.98Å; S250-K252 PolarHBondContact O-N 2.96Å; K252-V254 PolarHBondContact O-N 3.13Å
253A86.1Confident91.2Very high48 Ų4843 Ų4340%0.39722%0.222SC..EExtended strand (participates in β ladder)trans-62.4122.817600000110.9F249 Y266F249-A253 HydrophobicContact CD1-CB 4.13Å; F249-A253 HydrophobicContact CE1-CB 3.97Å; A253-Y266 HydrophobicContact CB-CE1 3.88Å
254V90.7Very high91.1Very high60 Ų6042.9 Ų42.936%0.36422%0.222SC..EExtended strand (participates in β ladder)trans-117.5121.8175.9-179.70000108.3G247 V248 K252G247-V254 CarbonylContact C-O 3.54Å; G247-V254 WeakPolarHBondContact CA-O 3.46Å; V248-V254 HydrophobicContact CG2-CB 4.39Å; V248-V254 PolarHBondContact N-O 2.87Å; V248-V254 PolarHBondContact O-N 2.93Å; K252-V254 PolarHBondContact O-N 3.13Å
255Q93.2Very high91.1Very high133 Ų13339.5 Ų39.562%0.62120%0.201SC*.EExtended strand (participates in β ladder)trans-69142177.3-68.7-176.3-4.800111.1E245E245-Q255 HydrophobicContact CG-CG 3.88Å; E245-Q255 WeakPolarHBondContact OE1-CG 3.15Å; E245-Q255 PolarHBondContact OE1-NE2 3.47Å; E245-Q255 PolarHBondContact OE2-NE2 3.16Å
256R93.2Very high91Very high92 Ų9237.8 Ų37.835%0.34719%0.194SC..EExtended strand (participates in β ladder)trans-127.9156.3176.9-63.4-66.6-166.5169.4-0.1110E69 V246 V248 Y258E69-R256 IonicContact OE1-CZ 3.62Å; E69-R256 IonicContact OE1-NH2 2.99Å; E69-R256 PolarHBondContact OE1-NH2 3.15Å; E69-R256 IonicContact OE2-NH2 3.81Å; V246-R256 VanDerWaalsContact CG2-O 3.31Å; V246-R256 WeakPolarHBondContact CG2-O 3.43Å; V246-R256 PolarHBondContact O-N 3.46Å; V248-R256 HydrophobicContact CG1-CG 4.36Å; V248-R256 HydrophobicContact CG2-CG 4.11Å; R256-Y258 VanDerWaalsContact C-N 3.29Å
257D93Very high91Very high139 Ų13937.8 Ų37.874%0.74319%0.193SC*.SBendtrans-74.3-23.8176.4-64.7-31.3000112.5P228P228-D257 WeakPolarHBondContact CD-O 3.42Å
258Y94.1Very high90.9Very high44 Ų4437.8 Ų37.817%0.17319%0.194CC..  trans-159.7159.1179.961-89.4000110.6M1 M6 I225 V226 R256 M260M1-Y258 PolarHBondContact SD-OH 2.9Å; M6-Y258 HydrophobicContact CE-CD1 4.41Å; M6-Y258 HydrophobicContact CE-CD2 4.15Å; M6-Y258 HydrophobicContact CE-CE1 4.11Å; M6-Y258 HydrophobicContact CE-CE2 3.83Å; M6-Y258 HydrophobicContact CE-CG 4.43Å; I225-Y258 HydrophobicContact CG2-CD2 4.45Å; V226-Y258 CarbonylContact O-C 3.45Å; V226-Y258 VanDerWaalsContact O-CA 3.24Å; V226-Y258 WeakPolarHBondContact O-CA 3.18Å; R256-Y258 VanDerWaalsContact C-N 3.29Å; Y258-M260 HydrophobicContact CD2-CB 4.1Å; Y258-M260 HydrophobicContact CD2-CG 4.18Å; Y258-M260 HydrophobicContact CE2-CB 4.22Å; Y258-M260 HydrophobicContact CE2-CG 3.89Å; Y258-M260 HydrophobicContact CE2-SD 3.96Å
259L94.9Very high90.8Very high0 Ų037.9 Ų37.90%019%0.194CC..EExtended strand (participates in β ladder)trans-115.4136.3158.7-62.1171.8000107.8V219 I221 I225 V226 V246 V248 D263 I267V219-L259 HydrophobicContact CG2-CD1 4.29Å; I221-L259 HydrophobicContact CD1-CB 4.16Å; I221-L259 HydrophobicContact CG1-CB 3.74Å; I225-L259 WeakPolarHBondContact CA-O 3.48Å; I225-L259 WeakPolarHBondContact CG2-O 3.03Å; V226-L259 HydrophobicContact CG1-CB 3.83Å; V226-L259 HydrophobicContact CG1-CD1 4.46Å; V226-L259 PolarHBondContact N-O 3.02Å; V226-L259 PolarHBondContact O-N 2.83Å; V246-L259 HydrophobicContact CB-CD1 4.04Å; V246-L259 HydrophobicContact CB-CG 4.02Å; V246-L259 HydrophobicContact CG2-CG 4.24Å; V248-L259 HydrophobicContact CG1-CD2 3.79Å; L259-D263 HydrophobicContact CB-CB 4.32Å; L259-D263 HydrophobicContact CD2-CB 4.02Å; L259-I267 HydrophobicContact CD1-CG1 4.29Å
260M94.2Very high90.6Very high0 Ų039 Ų390%021%0.208CC..EExtended strand (participates in β ladder)trans-124.9170.4-178.559167.1-84.100111M6 R9 Q10 L196 I221 I225 Y258 G262 D263M6-M260 HydrophobicContact CB-CE 4Å; M6-M260 HydrophobicContact CB-SD 3.78Å; M6-M260 HydrophobicContact CG-SD 3.92Å; M6-M260 WeakPolarHBondContact O-CE 3.4Å; R9-M260 HydrophobicContact CB-SD 4.47Å; R9-M260 HydrophobicContact CG-SD 4.47Å; R9-M260 PolarHBondContact NH1-SD 3.43Å; Q10-M260 HydrophobicContact CB-CE 3.86Å; L196-M260 HydrophobicContact CD1-CE 4.31Å; L196-M260 HydrophobicContact CD2-CB 3.8Å; L196-M260 HydrophobicContact CD2-CE 3.65Å; L196-M260 HydrophobicContact CD2-SD 4.4Å; I221-M260 VanDerWaalsContact CB-O 3.31Å; I221-M260 WeakPolarHBondContact CB-O 3.39Å; I225-M260 HydrophobicContact CG1-CB 4.11Å; Y258-M260 HydrophobicContact CD2-CB 4.1Å; Y258-M260 HydrophobicContact CD2-CG 4.18Å; Y258-M260 HydrophobicContact CE2-CB 4.22Å; Y258-M260 HydrophobicContact CE2-CG 3.89Å; Y258-M260 HydrophobicContact CE2-SD 3.96Å; M260-G262 PolarHBondContact O-N 3.22Å; M260-D263 WeakPolarHBondContact CG-OD2 3.44Å; M260-D263 PolarHBondContact N-OD2 3.36Å; M260-D263 VanDerWaalsContact O-CB 3.28Å; M260-D263 WeakPolarHBondContact O-CB 3.42Å; M260-D263 PolarHBondContact O-N 2.99Å
261V94.2Very high90.6Very high1 Ų137.4 Ų37.41%0.00620%0.197CC..THydrogen-bonded Turntrans-39.1124.8174.9176.30000112.3Q10 L196 T222 G224Q10-V261 HydrophobicContact CG-CG1 4.37Å; L196-V261 HydrophobicContact CD2-CB 3.91Å; L196-V261 HydrophobicContact CD2-CG2 3.83Å; L196-V261 HydrophobicContact CG-CB 4.43Å; L196-V261 HydrophobicContact CG-CG2 4.2Å; T222-V261 WeakPolarHBondContact O-CG1 3.45Å; G224-V261 PolarHBondContact O-N 2.81Å
262G91.6Very high90.9Very high0 Ų044.3 Ų44.30%022%0.223CC..THydrogen-bonded Turntrans96.8-23.5-179.500000114.6N15 P192 I221 M260N15-G262 PolarHBondContact ND2-O 3.32Å; N15-G262 PolarHBondContact OD1-O 3.13Å; P192-G262 VanDerWaalsContact CG-CA 3.46Å; I221-G262 PolarHBondContact O-N 3.45Å; M260-G262 PolarHBondContact O-N 3.22Å
263D94.2Very high90.5Very high2 Ų240 Ų401%0.01121%0.21CC..  trans-69.4135.5-176.8-68.1-28.7000111.8R9 H83 I221 L259 M260R9-D263 IonicContact CZ-OD1 2.71Å; R9-D263 IonicContact CZ-OD2 3.89Å; R9-D263 IonicContact NH1-OD1 2.8Å; R9-D263 PolarHBondContact NH1-OD1 2.95Å; R9-D263 IonicContact NH1-OD2 3.8Å; R9-D263 PolarHBondContact NH1-OD2 3.45Å; R9-D263 IonicContact NH2-OD1 3.54Å; R9-D263 PolarHBondContact NH2-OD1 3.01Å; R9-D263 IonicContact NH2-OD2 3.65Å; H83-D263 IonicContact NE2-OD1 3.92Å; I221-D263 PolarHBondContact N-O 3.32Å; L259-D263 HydrophobicContact CB-CB 4.32Å; L259-D263 HydrophobicContact CD2-CB 4.02Å; M260-D263 WeakPolarHBondContact CG-OD2 3.44Å; M260-D263 PolarHBondContact N-OD2 3.36Å; M260-D263 VanDerWaalsContact O-CB 3.28Å; M260-D263 WeakPolarHBondContact O-CB 3.42Å; M260-D263 PolarHBondContact O-N 2.99Å
264V93.1Very high89.6Confident4 Ų438.6 Ų38.62%0.02420%0.196CC..EExtended strand (participates in β ladder)trans-106.6116.3167.7-178.30000108.2A67 H83 I85 F205 V219 R220A67-V264 HydrophobicContact CB-CG1 3.78Å; H83-V264 HydrophobicContact CB-CB 3.87Å; H83-V264 HydrophobicContact CB-CG2 3.8Å; H83-V264 PolarHBondContact CE1-O 3.33Å; H83-V264 PolarHBondContact ND1-O 2.89Å; H83-V264 PolarHBondContact NE2-N 3.5Å; I85-V264 HydrophobicContact CD1-CG1 4.36Å; F205-V264 HydrophobicContact CE1-CG1 3.65Å; F205-V264 HydrophobicContact CZ-CG1 3.54Å; V219-V264 WeakPolarHBondContact O-CA 3.36Å; R220-V264 HydrophobicContact CB-CG2 4.49Å
265G93.1Very high88.6Confident2 Ų242.9 Ų42.92%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-157.6-159.5-171.700000113.2N218 V219 G247N218-G265 CarbonylContact C-O 3.52Å; N218-G265 WeakPolarHBondContact CA-O 3.35Å; V219-G265 PolarHBondContact N-O 2.86Å; V219-G265 PolarHBondContact O-N 2.89Å; G247-G265 CarbonylContact O-C 3.58Å; G247-G265 WeakPolarHBondContact O-CA 3.3Å
266Y93.6Very high87.7Confident1 Ų137.7 Ų37.70%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-127.1150.6176.667-91.8000112.8V216 L217 E245 V246 G247 F249 A253 T268V216-Y266 HydrophobicContact CG1-CD2 4Å; V216-Y266 HydrophobicContact CG1-CG 4.08Å; L217-Y266 CarbonylContact O-C 3.32Å; L217-Y266 WeakPolarHBondContact O-CA 3.46Å; E245-Y266 HydrophobicContact CG-CE2 4.13Å; E245-Y266 WeakPolarHBondContact OE1-CE2 3.38Å; E245-Y266 PolarHBondContact OE1-OH 2.87Å; V246-Y266 WeakPolarHBondContact CA-O 3.28Å; G247-Y266 PolarHBondContact N-O 2.78Å; G247-Y266 WeakPolarHBondContact O-CD1 3.18Å; G247-Y266 PolarHBondContact O-N 3.34Å; F249-Y266 HydrophobicContact CD2-CD1 4.11Å; F249-Y266 HydrophobicContact CE1-CD1 4.14Å; F249-Y266 HydrophobicContact CE1-CE1 4.43Å; F249-Y266 AromaticContact CE2-CD1 3.61Å; F249-Y266 HydrophobicContact CE2-CD1 3.61Å; F249-Y266 HydrophobicContact CE2-CG 4.18Å; F249-Y266 AromaticContact CZ-CD1 3.62Å; F249-Y266 HydrophobicContact CZ-CD1 3.62Å; F249-Y266 HydrophobicContact CZ-CE1 4.34Å; F249-Y266 HydrophobicContact CZ-CG 4.12Å; A253-Y266 HydrophobicContact CB-CE1 3.88Å; Y266-T268 HydrophobicContact CD2-CG2 4.17Å; Y266-T268 HydrophobicContact CE2-CG2 4.49Å
267I94.5Very high86.9Confident0 Ų033.7 Ų33.70%018%0.175CC..EExtended strand (participates in β ladder)trans-122.9133.1172.6-59.8175.1000108.6L217 V219 V226 I232 V243 V246 L259L217-I267 HydrophobicContact CB-CB 4.45Å; L217-I267 PolarHBondContact N-O 3.09Å; L217-I267 PolarHBondContact O-N 2.95Å; V219-I267 HydrophobicContact CB-CD1 4.49Å; V219-I267 HydrophobicContact CG1-CD1 4.18Å; V219-I267 HydrophobicContact CG2-CD1 3.68Å; V219-I267 HydrophobicContact CG2-CG1 3.72Å; V226-I267 HydrophobicContact CG1-CD1 4.01Å; V226-I267 HydrophobicContact CG1-CG1 4.48Å; V226-I267 HydrophobicContact CG2-CD1 4.32Å; I232-I267 HydrophobicContact CD1-CG2 4.18Å; V243-I267 HydrophobicContact CG1-CG2 3.99Å; V243-I267 HydrophobicContact CG2-CG2 3.99Å; V246-I267 HydrophobicContact CG1-CG1 4.24Å; L259-I267 HydrophobicContact CD1-CG1 4.29Å
268T93.5Very high86Confident1 Ų134 Ų341%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-116.1139.3167.465.30000109.5R213 V216 V243 T244 E245 Y266R213-T268 HydrophobicContact CB-CG2 4.22Å; V216-T268 HydrophobicContact CB-CG2 4.34Å; V216-T268 HydrophobicContact CG1-CG2 4.09Å; V216-T268 HydrophobicContact CG2-CG2 3.91Å; V243-T268 CarbonylContact C-O 3.59Å; V243-T268 WeakPolarHBondContact CA-O 3.19Å; T244-T268 PolarHBondContact N-O 3.45Å; T244-T268 VanDerWaalsContact OG1-C 3.25Å; T244-T268 PolarHBondContact OG1-O 2.88Å; T244-T268 PolarHBondContact OG1-OG1 3.29Å; E245-T268 WeakPolarHBondContact CB-OG1 3.26Å; E245-T268 PolarHBondContact N-O 2.93Å; E245-T268 PolarHBondContact N-OG1 3.07Å; E245-T268 PolarHBondContact O-N 2.88Å; E245-T268 PolarHBondContact O-OG1 2.88Å; Y266-T268 HydrophobicContact CD2-CG2 4.17Å; Y266-T268 HydrophobicContact CE2-CG2 4.49Å
269A90.7Very high85.4Confident3 Ų332.7 Ų32.73%0.02516%0.162CC..  trans-145.533.3-176.100000113.2I232 F241 D242 I271I232-A269 HydrophobicContact CD1-CB 3.95Å; I232-A269 HydrophobicContact CG1-CB 4.46Å; F241-A269 HydrophobicContact CB-CB 3.64Å; D242-A269 CarbonylContact O-C 3.52Å; D242-A269 WeakPolarHBondContact O-CA 3.16Å; D242-A269 WeakPolarHBondContact O-CB 3.36Å; A269-I271 HydrophobicContact CB-CD1 4.23Å; A269-I271 HydrophobicContact CB-CG1 4.1Å; A269-I271 PolarHBondContact O-N 2.86Å; A269-I271 VanDerWaalsContact O-N 3.08Å
270S84.1Confident84.7Confident75 Ų7533.1 Ų33.152%0.52417%0.167SC..  trans52.131.2-176.3-60.20000114.3T244 K272T244-S270 WeakPolarHBondContact CG2-OG 2.91Å; S270-K272 PolarHBondContact O-N 2.75Å
271I85.9Confident84.4Confident0 Ų033.7 Ų33.70%017%0.169CC..  trans-71.4118.4-179.6-59.2169.3000107.9V215 L217 F241 A269 S273 T277V215-I271 HydrophobicContact CB-CB 4.02Å; V215-I271 HydrophobicContact CB-CG2 4.07Å; V215-I271 HydrophobicContact CG2-CB 4.28Å; V215-I271 HydrophobicContact CG2-CG2 3.93Å; V215-I271 PolarHBondContact N-O 3.03Å; L217-I271 HydrophobicContact CD1-CD1 3.87Å; L217-I271 HydrophobicContact CG-CD1 4.31Å; F241-I271 HydrophobicContact CB-CG1 4.26Å; F241-I271 HydrophobicContact CD1-CG1 3.69Å; F241-I271 HydrophobicContact CD2-CD1 4.16Å; F241-I271 HydrophobicContact CD2-CG1 4.04Å; F241-I271 HydrophobicContact CE1-CB 4.43Å; F241-I271 HydrophobicContact CE1-CG1 3.96Å; F241-I271 HydrophobicContact CE1-CG2 4.28Å; F241-I271 HydrophobicContact CE2-CD1 4.45Å; F241-I271 HydrophobicContact CE2-CG1 4.3Å; F241-I271 HydrophobicContact CG-CD1 4.27Å; F241-I271 HydrophobicContact CG-CG1 3.72Å; F241-I271 HydrophobicContact CZ-CG1 4.25Å; F241-I271 HydrophobicContact CZ-CG2 4.29Å; A269-I271 HydrophobicContact CB-CD1 4.23Å; A269-I271 HydrophobicContact CB-CG1 4.1Å; A269-I271 PolarHBondContact O-N 2.86Å; A269-I271 VanDerWaalsContact O-N 3.08Å; I271-S273 WeakPolarHBondContact CG2-O 3.3Å; I271-T277 HydrophobicContact CD1-CG2 3.72Å; I271-T277 HydrophobicContact CG2-CG2 3.88Å
272K79.4Confident84.3Confident191 Ų19133.7 Ų33.783%0.8317%0.169SC*.  trans-91.6-37.9-178.5-62.8-174.3-179.3-178.10113.2S270S270-K272 PolarHBondContact O-N 2.75Å
273S72.6Confident84.5Confident45 Ų4533.7 Ų33.732%0.31517%0.169SC..  trans-103.2121-178.8-176.10000109.2I271 Q275 D276I271-S273 WeakPolarHBondContact CG2-O 3.3Å; S273-Q275 VanDerWaalsContact C-N 3.29Å; S273-D276 WeakPolarHBondContact O-CB 3.48Å; S273-D276 PolarHBondContact O-N 2.98Å
274V67.2Low84.6Confident18 Ų1833.6 Ų33.611%0.10917%0.169CC..G310 helixtrans-82.3-16.3-177.8-158.10000111.5Y209 V215 D276 T277 L328Y209-V274 HydrophobicContact CD2-CG2 3.97Å; V215-V274 HydrophobicContact CG1-CG1 3.97Å; V215-V274 HydrophobicContact CG2-CB 3.79Å; V215-V274 HydrophobicContact CG2-CG1 3.73Å; V215-V274 HydrophobicContact CG2-CG2 3.3Å; V274-D276 PolarHBondContact O-N 2.86Å; V274-D276 VanDerWaalsContact O-N 3.09Å; V274-T277 WeakPolarHBondContact CG1-OG1 3.37Å; V274-T277 CarbonylContact O-C 3.48Å; V274-T277 PolarHBondContact O-N 2.9Å; V274-T277 PolarHBondContact O-OG1 3.22Å; V274-L328 HydrophobicContact CB-CD1 3.75Å; V274-L328 HydrophobicContact CB-CD2 3.28Å; V274-L328 HydrophobicContact CB-CG 3.97Å; V274-L328 HydrophobicContact CG1-CB 3.87Å; V274-L328 HydrophobicContact CG1-CD1 3.73Å; V274-L328 HydrophobicContact CG1-CD2 3.32Å; V274-L328 HydrophobicContact CG1-CG 3.75Å; V274-L328 HydrophobicContact CG2-CD1 3.35Å; V274-L328 HydrophobicContact CG2-CD2 3.88Å; V274-L328 HydrophobicContact CG2-CG 4.13Å
275Q69.8Low84.7Confident149 Ų14934.5 Ų34.570%0.69617%0.174SC*.G310 helixtrans-60.9-18.9169.4-64-178.6-4.500112.3S273 T277S273-Q275 VanDerWaalsContact C-N 3.29Å; Q275-T277 VanDerWaalsContact C-N 3.32Å
276D74.2Confident84.7Confident24 Ų2436 Ų3613%0.12819%0.186CC..G310 helixtrans-80-17.2176.2-62.3-17.7000112.4L234 N237 K239 F241 S273 V274L234-D276 WeakPolarHBondContact CD1-O 3.41Å; N237-D276 WeakPolarHBondContact ND2-CA 3.35Å; N237-D276 PolarHBondContact ND2-O 2.84Å; K239-D276 HydrophobicContact CD-CB 3.94Å; K239-D276 VanDerWaalsContact CD-CG 3.42Å; K239-D276 VanDerWaalsContact CD-OD2 3.31Å; K239-D276 WeakPolarHBondContact CD-OD2 2.97Å; K239-D276 IonicContact NZ-OD1 2.64Å; K239-D276 PolarHBondContact NZ-OD1 3.16Å; K239-D276 IonicContact NZ-OD2 3.62Å; K239-D276 PolarHBondContact NZ-OD2 2.68Å; F241-D276 HydrophobicContact CZ-CB 4.15Å; S273-D276 WeakPolarHBondContact O-CB 3.48Å; S273-D276 PolarHBondContact O-N 2.98Å; V274-D276 PolarHBondContact O-N 2.86Å; V274-D276 VanDerWaalsContact O-N 3.09Å
277T76.2Confident84.7Confident8 Ų842.3 Ų42.35%0.04922%0.22CC..  trans-117.2110.5-175.5520000109.3V215 L217 L234 I271 V274 Q275V215-T277 HydrophobicContact CG1-CG2 4.4Å; L217-T277 HydrophobicContact CD1-CG2 4.4Å; L217-T277 HydrophobicContact CD2-CG2 3.68Å; L234-T277 HydrophobicContact CD1-CG2 3.71Å; I271-T277 HydrophobicContact CD1-CG2 3.72Å; I271-T277 HydrophobicContact CG2-CG2 3.88Å; V274-T277 WeakPolarHBondContact CG1-OG1 3.37Å; V274-T277 CarbonylContact O-C 3.48Å; V274-T277 PolarHBondContact O-N 2.9Å; V274-T277 PolarHBondContact O-OG1 3.22Å; Q275-T277 VanDerWaalsContact C-N 3.32Å
278R75.8Confident84.6Confident145 Ų14546.2 Ų46.255%0.54724%0.241SC..  trans-103.9134.5176.9-67179.4179.5173.61.9109.3G280 D281R278-G280 PolarHBondContact O-N 3.37Å; R278-D281 HydrophobicContact CB-CB 4.35Å; R278-D281 WeakPolarHBondContact O-CB 3.27Å; R278-D281 PolarHBondContact O-N 2.77Å; R278-D281 VanDerWaalsContact O-N 3.07Å
279V80.4Confident84.6Confident18 Ų1849.3 Ų49.311%0.10926%0.26CS..THydrogen-bonded Turntrans-64.3132.9169-175.10000109R99 F205 Y297R99-V279 VanDerWaalsContact CD-CG1 3.46Å; F205-V279 VanDerWaalsContact C-CG1 3.45Å; F205-V279 WeakPolarHBondContact O-CG1 3.39Å; V279-Y297 HydrophobicContact CG1-CD2 3.94Å; V279-Y297 HydrophobicContact CG1-CE2 3.72Å
280G81.5Confident84.7Confident9 Ų949.5 Ų49.59%0.09326%0.262CS..THydrogen-bonded Turntrans91.2-1.3-170.900000114.5I204 R278 G296 Y297I204-G280 WeakPolarHBondContact O-CA 3.26Å; I204-G280 PolarHBondContact O-N 2.79Å; R278-G280 PolarHBondContact O-N 3.37Å; G280-G296 WeakPolarHBondContact O-CA 3.21Å; G280-Y297 VanDerWaalsContact N-CD2 3.27Å; G280-Y297 VanDerWaalsContact N-CE2 3.32Å
281D87.5Confident85Confident11 Ų1150.8 Ų50.86%0.05928%0.277CS..PPolyproline II helixtrans-77.8159.6171.4-165.713.8000111.2I204 S236 R278I204-D281 HydrophobicContact CD1-CB 4.21Å; I204-D281 PolarHBondContact N-O 2.95Å; S236-D281 WeakPolarHBondContact CB-OD1 3.41Å; S236-D281 WeakPolarHBondContact CB-OD2 3.22Å; S236-D281 PolarHBondContact N-OD1 3.5Å; S236-D281 PolarHBondContact N-OD2 2.8Å; S236-D281 VanDerWaalsContact OG-CG 3.25Å; S236-D281 PolarHBondContact OG-OD2 3.32Å; R278-D281 HydrophobicContact CB-CB 4.35Å; R278-D281 WeakPolarHBondContact O-CB 3.27Å; R278-D281 PolarHBondContact O-N 2.77Å; R278-D281 VanDerWaalsContact O-N 3.07Å
282T92.4Very high85.2Confident1 Ų158.1 Ų58.11%0.00631%0.311CS..EExtended strand (participates in β ladder)trans-104126.8176.7-56.50000110.1K201 A202 M235 L294K201-T282 HydrophobicContact CB-CG2 4.15Å; K201-T282 HydrophobicContact CG-CG2 4.43Å; A202-T282 CarbonylContact O-C 3.59Å; A202-T282 WeakPolarHBondContact O-CA 3.44Å; M235-T282 HydrophobicContact CG-CG2 4.45Å; M235-T282 WeakPolarHBondContact CG-O 3.33Å; M235-T282 PolarHBondContact N-O 3.4Å; M235-T282 HydrophobicContact SD-CG2 3.74Å; T282-L294 HydrophobicContact CG2-CD1 4.31Å; T282-L294 HydrophobicContact CG2-CG 4.16Å; T282-L294 WeakPolarHBondContact OG1-CB 3.45Å; T282-L294 PolarHBondContact OG1-N 3.3Å
283V94.2Very high85.7Confident0 Ų051.6 Ų51.60%029%0.293CS..EExtended strand (participates in β ladder)trans-86.8129.9166.7-168.90000108.6A202 I204 L217 V219 I232 L234A202-V283 HydrophobicContact CB-CB 4.04Å; A202-V283 HydrophobicContact CB-CG2 4.48Å; A202-V283 PolarHBondContact N-O 3.04Å; A202-V283 PolarHBondContact O-N 2.79Å; I204-V283 HydrophobicContact CD1-CG2 3.66Å; I204-V283 HydrophobicContact CG1-CG2 3.67Å; L217-V283 HydrophobicContact CD1-CG2 4.34Å; V219-V283 HydrophobicContact CG1-CG2 4.41Å; I232-V283 HydrophobicContact CB-CG1 3.6Å; I232-V283 HydrophobicContact CD1-CG1 3.77Å; I232-V283 HydrophobicContact CG1-CG1 4.25Å; I232-V283 HydrophobicContact CG2-CG1 3.77Å; L234-V283 HydrophobicContact CD2-CG2 3.83Å
284T96.5Very high86.3Confident0 Ų051.3 Ų51.30%029%0.288CS..EExtended strand (participates in β ladder)trans-129.9175.8171.7-164.60000111L200 I232 Q233 M235 P289 A290L200-T284 VanDerWaalsContact O-CA 3.27Å; L200-T284 WeakPolarHBondContact O-CA 3.42Å; L200-T284 WeakPolarHBondContact O-CB 3.36Å; L200-T284 PolarHBondContact O-OG1 3.06Å; I232-T284 CarbonylContact C-O 3.2Å; I232-T284 VanDerWaalsContact CA-O 3.25Å; I232-T284 WeakPolarHBondContact CA-O 3.38Å; Q233-T284 HydrophobicContact CB-CG2 4.14Å; Q233-T284 PolarHBondContact N-O 2.87Å; Q233-T284 PolarHBondContact O-N 2.83Å; M235-T284 HydrophobicContact CG-CG2 3.84Å; M235-T284 HydrophobicContact SD-CG2 4.22Å; T284-P289 HydrophobicContact CG2-CB 3.95Å; T284-A290 PolarHBondContact OG1-N 3.5Å
285L96.1Very high86.8Confident24 Ų2455 Ų5513%0.12632%0.32CS..EExtended strand (participates in β ladder)trans-87.3135.5175.1-68.6173.6000110.6L200 D230 I232 N287 N288 P289L200-L285 HydrophobicContact CB-CD1 4.16Å; L200-L285 HydrophobicContact CB-CG 3.71Å; L200-L285 HydrophobicContact CD2-CD2 3.95Å; L200-L285 HydrophobicContact CD2-CG 3.9Å; L200-L285 HydrophobicContact CG-CG 4.48Å; D230-L285 HydrophobicContact CB-CD2 3.78Å; I232-L285 HydrophobicContact CG2-CD2 4.34Å; L285-N287 VanDerWaalsContact C-N 3.27Å; L285-N287 WeakPolarHBondContact CB-OD1 3.45Å; L285-N287 PolarHBondContact O-N 2.87Å; L285-N288 CarbonylContact O-C 3.56Å; L285-N288 PolarHBondContact O-N 2.97Å; L285-P289 WeakPolarHBondContact O-CA 3.47Å; L285-P289 VanDerWaalsContact O-N 3.07Å
286A93.4Very high86.6Confident33 Ų3350 Ų5027%0.27331%0.31SS..THydrogen-bonded Turntrans-68.1-25.5-178.800000113.5K231 Q233 T240K231-A286 HydrophobicContact CB-CB 4.38Å; K231-A286 HydrophobicContact CD-CB 4.38Å; K231-A286 HydrophobicContact CG-CB 3.98Å; K231-A286 WeakPolarHBondContact O-CB 3.3Å; K231-A286 PolarHBondContact O-N 3.3Å; Q233-A286 HydrophobicContact CB-CB 4.21Å; T240-A286 HydrophobicContact CG2-CB 3.87Å
287N92.7Very high86.3Confident134 Ų13450.5 Ų50.572%0.71731%0.31SS*.THydrogen-bonded Turntrans-86.7-20.6179.162.7-10.3000113.4L285L285-N287 VanDerWaalsContact C-N 3.27Å; L285-N287 WeakPolarHBondContact CB-OD1 3.45Å; L285-N287 PolarHBondContact O-N 2.87Å
288N92.6Very high85.6Confident82 Ų8260.5 Ų60.544%0.43935%0.347SS..BIsolated β-bridgetrans-146.572.7178.2-174.232.7000108.9P199 L285P199-N288 WeakPolarHBondContact CB-O 3.48Å; L285-N288 CarbonylContact O-C 3.56Å; L285-N288 PolarHBondContact O-N 2.97Å
289P92.5Very high85Confident65 Ų6561.6 Ų61.642%0.42236%0.355SS..  trans-71.1143.6-174.428.6-34.6000111.2T284 L285T284-P289 HydrophobicContact CG2-CB 3.95Å; L285-P289 WeakPolarHBondContact O-CA 3.47Å; L285-P289 VanDerWaalsContact O-N 3.07Å
290A93.2Very high84.3Confident7 Ų764.5 Ų64.56%0.05837%0.368CS..  trans-61.2141.6169.700000110.7P199 K201 M235 T284 E292P199-A290 HydrophobicContact CB-CB 4.17Å; K201-A290 HydrophobicContact CD-CB 4.22Å; K201-A290 HydrophobicContact CG-CB 3.63Å; M235-A290 WeakPolarHBondContact CE-O 3.26Å; M235-A290 HydrophobicContact SD-CB 4.26Å; T284-A290 PolarHBondContact OG1-N 3.5Å; A290-E292 VanDerWaalsContact C-N 3.35Å
291A90.7Very high83.6Confident103 Ų10369.1 Ų69.185%0.85139%0.391SS*.SBendtrans-68.2-35.6-178.800000112.6
292E91.1Very high83.1Confident153 Ų15368.8 Ų68.872%0.71539%0.389SS*.SBendtrans-133140.6-178.3-64.9-178.4175.800109.5A290A290-E292 VanDerWaalsContact C-N 3.35Å
293A89.2Confident82.3Confident54 Ų5471.3 Ų71.345%0.44640%0.402SS..  trans-72.9154.5173.100000110.2M235M235-A293 HydrophobicContact CB-CB 4.21Å; M235-A293 HydrophobicContact CE-CB 3.99Å; M235-A293 HydrophobicContact SD-CB 3.8Å
294L85.8Confident81.7Confident39 Ų3971.3 Ų71.320%0.20440%0.402CS..  trans-62.9154.4168.8-62.9170.8000109.5K201 L203 T222 T282 G296K201-L294 HydrophobicContact CB-CD1 4.12Å; K201-L294 HydrophobicContact CB-CD2 4.36Å; K201-L294 HydrophobicContact CB-CG 4.19Å; K201-L294 HydrophobicContact CD-CD2 3.98Å; K201-L294 HydrophobicContact CD-CG 4.33Å; L203-L294 HydrophobicContact CB-CD1 3.71Å; L203-L294 HydrophobicContact CD1-CB 4.43Å; T222-L294 HydrophobicContact CG2-CD2 4.13Å; T222-L294 WeakPolarHBondContact OG1-CD1 3.32Å; T282-L294 HydrophobicContact CG2-CD1 4.31Å; T282-L294 HydrophobicContact CG2-CG 4.16Å; T282-L294 WeakPolarHBondContact OG1-CB 3.45Å; T282-L294 PolarHBondContact OG1-N 3.3Å; L294-G296 PolarHBondContact O-N 3.44Å
295A76.5Confident81.3Confident95 Ų9572.5 Ų72.579%0.78541%0.407SS*.  trans-59.2108.3174.200000108.7
296G67Low80.9Confident46 Ų4671.4 Ų71.447%0.47440%0.401SS..PPolyproline II helixtrans-73.3171.317900000111.8G280 L294G280-G296 WeakPolarHBondContact O-CA 3.21Å; L294-G296 PolarHBondContact O-N 3.44Å
297Y67.7Low80.7Confident34 Ų3469.8 Ų69.813%0.13339%0.388CS..PPolyproline II helixtrans-75.7145.4178.7-54.1-57.7000111.9Y95 R99 A102 L203 I204 F205 V279 G280 K299Y95-Y297 HydrophobicContact CE2-CG 4.5Å; Y95-Y297 VanDerWaalsContact OH-CB 3.28Å; Y95-Y297 WeakPolarHBondContact OH-CB 3.18Å; R99-Y297 VanDerWaalsContact CA-CE1 3.48Å; R99-Y297 HydrophobicContact CB-CD1 4.47Å; R99-Y297 HydrophobicContact CB-CE1 3.95Å; R99-Y297 HydrophobicContact CB-CE2 4.12Å; R99-Y297 HydrophobicContact CG-CD1 3.79Å; R99-Y297 HydrophobicContact CG-CD2 3.64Å; R99-Y297 HydrophobicContact CG-CE1 3.73Å; R99-Y297 HydrophobicContact CG-CE2 3.58Å; R99-Y297 HydrophobicContact CG-CG 3.76Å; R99-Y297 PolarHBondContact O-OH 3.06Å; R99-Y297 VanDerWaalsContact O-OH 3.08Å; A102-Y297 HydrophobicContact CB-CE1 3.93Å; L203-Y297 WeakPolarHBondContact CD2-OH 3.32Å; I204-Y297 WeakPolarHBondContact O-CE2 3.41Å; F205-Y297 VanDerWaalsContact CB-OH 3.29Å; F205-Y297 WeakPolarHBondContact CB-OH 3.29Å; V279-Y297 HydrophobicContact CG1-CD2 3.94Å; V279-Y297 HydrophobicContact CG1-CE2 3.72Å; G280-Y297 VanDerWaalsContact N-CD2 3.27Å; G280-Y297 VanDerWaalsContact N-CE2 3.32Å; Y297-K299 PolarHBondContact O-N 3.43Å
298R62Low80.7Confident218 Ų21863.5 Ų63.582%0.82335%0.354SS*.PPolyproline II helixtrans-66131.1170-69.4-176.5-178171.94.5108.7Y95 M300Y95-R298 WeakPolarHBondContact CE2-O 3.21Å; R298-M300 PolarHBondContact O-N 3.09Å
299K62.9Low80.6Confident168 Ų16859.7 Ų59.773%0.7333%0.334SS*.PPolyproline II helixtrans-63.6121.4169.4-70.7-172.3178-173.50109Y297Y297-K299 PolarHBondContact O-N 3.43Å
300M65.2Low80.5Confident78 Ų7856.8 Ų56.838%0.38432%0.315SS..PPolyproline II helixtrans-81.2131.4170.5-64.9-66.4-74.700108.9Y95 R298 L352Y95-M300 HydrophobicContact CD2-CB 4.46Å; Y95-M300 HydrophobicContact CD2-CG 3.39Å; Y95-M300 HydrophobicContact CE2-CG 4.11Å; Y95-M300 HydrophobicContact CG-CG 3.85Å; R298-M300 PolarHBondContact O-N 3.09Å; M300-L352 HydrophobicContact CB-CD2 3.69Å; M300-L352 HydrophobicContact CE-CD2 4.44Å
301N67.5Low80.1Confident107 Ų10759.3 Ų59.357%0.57233%0.327SS*.PPolyproline II helixtrans-87.1134.9174.7-69-30.8000108.8M303N301-M303 HydrophobicContact CB-CE 4.39Å
302P76.7Confident79.8Confident3 Ų358.1 Ų58.12%0.01931%0.307CS..PPolyproline II helixtrans-59.4143171.3-20.629.9000111.9F305 Q334 F351P302-F305 HydrophobicContact CB-CE1 4.28Å; P302-F305 HydrophobicContact CB-CE2 3.93Å; P302-F305 HydrophobicContact CB-CZ 3.69Å; P302-F305 HydrophobicContact CG-CZ 4.27Å; P302-Q334 VanDerWaalsContact CD-CD 3.4Å; P302-Q334 HydrophobicContact CG-CB 3.85Å; P302-Q334 VanDerWaalsContact CG-CD 3.45Å; P302-Q334 HydrophobicContact CG-CG 3.64Å; P302-F351 CarbonylContact C-O 3.53Å; P302-F351 WeakPolarHBondContact CA-O 3.48Å
303M74.2Confident79.5Confident55 Ų5554.8 Ų54.827%0.27130%0.297SS..  trans-113-24.8179.2-61.3-62.7168.200112.1N301 F351 L457 M482N301-M303 HydrophobicContact CB-CE 4.39Å; M303-F351 PolarHBondContact N-O 3.42Å; M303-L457 HydrophobicContact CB-CD2 4.13Å; M303-M482 HydrophobicContact CE-CG 4.36Å; M303-M482 HydrophobicContact CG-SD 4.34Å; M303-M482 HydrophobicContact SD-CE 3.71Å; M303-M482 HydrophobicContact SD-CG 4.28Å; M303-M482 HydrophobicContact SD-SD 4.02Å
304V83Confident79.4Confident0 Ų056.1 Ų56.10%030%0.303CS..EExtended strand (participates in β ladder)trans-117.2135.1179.7-179.30000108.9G350 F351 P377 V461V304-G350 CarbonylContact O-C 3.6Å; V304-G350 WeakPolarHBondContact O-CA 3.44Å; V304-F351 PolarHBondContact N-O 3.34Å; V304-F351 VanDerWaalsContact N-O 3.09Å; V304-F351 PolarHBondContact O-N 3.19Å; V304-P377 HydrophobicContact CG1-CB 4.03Å; V304-V461 HydrophobicContact CG1-CG1 3.89Å; V304-V461 HydrophobicContact CG1-CG2 4.49Å; V304-V461 HydrophobicContact CG2-CG2 3.67Å
305F86.8Confident79.7Confident25 Ų2557.1 Ų57.111%0.1130%0.304CS..EExtended strand (participates in β ladder)trans-130.3139-179.1-69-103.5000111.5P302 C349 P377 S378 I380 D394P302-F305 HydrophobicContact CB-CE1 4.28Å; P302-F305 HydrophobicContact CB-CE2 3.93Å; P302-F305 HydrophobicContact CB-CZ 3.69Å; P302-F305 HydrophobicContact CG-CZ 4.27Å; F305-C349 CarbonylContact C-O 3.44Å; F305-C349 WeakPolarHBondContact CA-O 3.24Å; F305-P377 CarbonylContact O-C 3.44Å; F305-P377 WeakPolarHBondContact O-CA 3.42Å; F305-S378 PolarHBondContact N-O 3.36Å; F305-S378 PolarHBondContact O-N 2.9Å; F305-S378 PolarHBondContact O-OG 2.85Å; F305-I380 HydrophobicContact CD2-CG1 4.14Å; F305-I380 HydrophobicContact CE2-CD1 3.58Å; F305-I380 HydrophobicContact CE2-CG1 3.56Å; F305-I380 HydrophobicContact CZ-CD1 4.01Å; F305-I380 HydrophobicContact CZ-CG1 4.24Å; F305-D394 HydrophobicContact CD1-CB 4.48Å; F305-D394 HydrophobicContact CD2-CB 4.36Å; F305-D394 HydrophobicContact CG-CB 4.24Å
306C88.3Confident80.4Confident0 Ų054.5 Ų54.50%027%0.274CS..EExtended strand (participates in β ladder)trans-141.8157.4170.881.10000110.6C349 F351 M357C306-C349 PolarHBondContact N-O 3.33Å; C306-C349 PolarHBondContact O-N 3.33Å; C306-F351 HydrophobicContact CB-CE2 4.45Å; C306-F351 WeakPolarHBondContact SG-CE2 3.48Å; C306-M357 HydrophobicContact CB-SD 4.08Å
307G90.3Very high81.6Confident0 Ų057.5 Ų57.50%028%0.279CS..EExtended strand (participates in β ladder)trans-87.2130.6169.300000110.3F347 T374 T375G307-F347 CarbonylContact C-O 3.44Å; G307-F347 WeakPolarHBondContact CA-O 3.46Å; G307-T374 CarbonylContact O-C 3.57Å; G307-T374 WeakPolarHBondContact O-CA 3.44Å; G307-T375 PolarHBondContact N-OG1 3.06Å; G307-T375 PolarHBondContact O-N 2.72Å
308L91.6Very high82.8Confident1 Ų159.3 Ų59.31%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-108.6122.9172.8-61.6-174.3000109.8L323 G346 F347 C349 F351 L364 T374L308-L323 HydrophobicContact CD1-CD2 4.25Å; L308-G346 CarbonylContact O-C 3.34Å; L308-G346 VanDerWaalsContact O-CA 3.26Å; L308-G346 WeakPolarHBondContact O-CA 3.27Å; L308-F347 PolarHBondContact N-O 2.92Å; L308-F347 PolarHBondContact O-N 2.77Å; L308-C349 HydrophobicContact CD1-CB 4.2Å; L308-C349 VanDerWaalsContact CD1-SG 3.56Å; L308-C349 HydrophobicContact CG-CB 4.3Å; L308-F351 HydrophobicContact CD1-CZ 4.4Å; L308-L364 HydrophobicContact CD1-CD1 3.64Å; L308-T374 HydrophobicContact CD2-CG2 3.35Å
309Y90.3Very high84.3Confident2 Ų249 Ų491%0.00825%0.252CS..EExtended strand (participates in β ladder)trans-126.7133.6-177.6-62.6-95000109.9E338 L343 L372 I373 T375Y309-E338 WeakPolarHBondContact OH-CG 3.21Å; Y309-E338 PolarHBondContact OH-OE1 3.34Å; Y309-E338 PolarHBondContact OH-OE2 2.83Å; Y309-L343 HydrophobicContact CD1-CB 3.52Å; Y309-L343 HydrophobicContact CD1-CD1 4.4Å; Y309-L343 HydrophobicContact CD2-CB 4.21Å; Y309-L343 HydrophobicContact CD2-CD1 3.54Å; Y309-L343 HydrophobicContact CE1-CB 4.02Å; Y309-L343 HydrophobicContact CE2-CD1 3.97Å; Y309-L343 HydrophobicContact CG-CB 3.63Å; Y309-L343 HydrophobicContact CG-CD1 3.8Å; Y309-L343 HydrophobicContact CG-CG 4.37Å; Y309-L372 CarbonylContact O-C 3.59Å; Y309-L372 WeakPolarHBondContact O-CA 3.47Å; Y309-I373 PolarHBondContact N-O 3.17Å; Y309-I373 PolarHBondContact O-N 3.47Å; Y309-T375 HydrophobicContact CD2-CG2 4.14Å; Y309-T375 HydrophobicContact CE2-CG2 3.61Å
310P90.3Very high85.7Confident5 Ų546 Ų463%0.03224%0.236CC..EExtended strand (participates in β ladder)trans-71.5139.6172.932.6-32.6000109.7D312 R315 L319 F345 L372P310-D312 WeakPolarHBondContact CB-O 3.37Å; P310-D312 PolarHBondContact O-N 2.87Å; P310-R315 HydrophobicContact CB-CB 4.32Å; P310-L319 HydrophobicContact CG-CD2 4.4Å; P310-F345 WeakPolarHBondContact CD-O 3.48Å; P310-L372 HydrophobicContact CB-CD2 4.43Å
311I85.2Confident86.9Confident59 Ų5947 Ų4730%0.30324%0.24SC..SBendtrans-56.9-43173.7-74179.4000110.4E371 I373I311-E371 HydrophobicContact CB-CB 4.22Å; I311-E371 HydrophobicContact CD1-CB 3.53Å; I311-E371 HydrophobicContact CG1-CB 4.1Å; I311-E371 PolarHBondContact N-O 3.37Å; I311-I373 HydrophobicContact CG1-CD1 4.14Å; I311-I373 HydrophobicContact CG1-CG1 3.76Å
312D85Confident88Confident79 Ų7942 Ų4242%0.42221%0.213SC..SBendtrans-97.6112.5171.3-178.55.2000110.6P310 S314 R315P310-D312 WeakPolarHBondContact CB-O 3.37Å; P310-D312 PolarHBondContact O-N 2.87Å; D312-S314 PolarHBondContact O-N 3.27Å; D312-S314 WeakPolarHBondContact OD1-CB 3.44Å; D312-S314 PolarHBondContact OD1-N 2.71Å; D312-S314 PolarHBondContact OD1-OG 2.75Å; D312-S314 PolarHBondContact OD2-OG 2.92Å; D312-R315 HydrophobicContact CB-CG 4.24Å; D312-R315 WeakPolarHBondContact O-CB 3.47Å; D312-R315 PolarHBondContact O-N 2.81Å
313T83.7Confident88.7Confident83 Ų8341.8 Ų41.851%0.50921%0.212SC..G310 helixtrans-54.4-22.6175.858.10000114.1R315 Y316T313-R315 PolarHBondContact O-N 3.24Å; T313-Y316 PolarHBondContact O-N 3.47Å
314S88.2Confident89.3Confident82 Ų8242.3 Ų42.357%0.57321%0.214SC*.G310 helixtrans-65.7-24175.386.60000112.8D312 Y316D312-S314 PolarHBondContact O-N 3.27Å; D312-S314 WeakPolarHBondContact OD1-CB 3.44Å; D312-S314 PolarHBondContact OD1-N 2.71Å; D312-S314 PolarHBondContact OD1-OG 2.75Å; D312-S314 PolarHBondContact OD2-OG 2.92Å; S314-Y316 VanDerWaalsContact C-N 3.34Å
315R90.5Very high89.2Confident60 Ų6045.4 Ų45.423%0.22623%0.227CC..G310 helixtrans-91.813.5-178.5-58-166.769.8-166-3.5114P310 D312 T313 N317 D318 L319 F368 N369 L370P310-R315 HydrophobicContact CB-CB 4.32Å; D312-R315 HydrophobicContact CB-CG 4.24Å; D312-R315 WeakPolarHBondContact O-CB 3.47Å; D312-R315 PolarHBondContact O-N 2.81Å; T313-R315 PolarHBondContact O-N 3.24Å; R315-N317 VanDerWaalsContact C-N 3.26Å; R315-N317 PolarHBondContact O-N 3.3Å; R315-D318 HydrophobicContact CB-CB 4.29Å; R315-D318 IonicContact CZ-OD2 2.76Å; R315-D318 IonicContact NE-OD2 3.74Å; R315-D318 PolarHBondContact NE-OD2 3.42Å; R315-D318 IonicContact NH2-OD2 2.68Å; R315-D318 WeakPolarHBondContact O-CB 3.42Å; R315-D318 PolarHBondContact O-N 2.95Å; R315-D318 VanDerWaalsContact O-N 3.13Å; R315-L319 PolarHBondContact O-N 3.04Å; R315-F368 PolarHBondContact NH2-O 3.39Å; R315-N369 VanDerWaalsContact CZ-O 3.22Å; R315-N369 PolarHBondContact NH1-O 3.47Å; R315-N369 PolarHBondContact NH2-O 3.47Å; R315-L370 HydrophobicContact CB-CD2 4.37Å; R315-L370 VanDerWaalsContact NH2-CD2 3.35Å
316Y91.7Very high89Confident40 Ų4044.3 Ų44.316%0.15722%0.222CC..Hα-helixtrans-54.5-42.1174.8173.3-101.8000112.8T313 S314 L319 R320 F345 F347T313-Y316 PolarHBondContact O-N 3.47Å; S314-Y316 VanDerWaalsContact C-N 3.34Å; Y316-L319 PolarHBondContact O-N 3.05Å; Y316-R320 PolarHBondContact O-N 3.5Å; Y316-F345 HydrophobicContact CD2-CB 3.47Å; Y316-F345 VanDerWaalsContact CD2-CB 3.47Å; Y316-F345 HydrophobicContact CE2-CB 3.72Å; Y316-F345 HydrophobicContact CG-CB 3.97Å; Y316-F347 AromaticContact CD2-CE2 3.92Å; Y316-F347 HydrophobicContact CD2-CE2 3.92Å; Y316-F347 HydrophobicContact CD2-CZ 4.38Å; Y316-F347 HydrophobicContact CE1-CZ 4.34Å; Y316-F347 HydrophobicContact CE2-CD2 4.15Å; Y316-F347 HydrophobicContact CE2-CE1 4.37Å; Y316-F347 AromaticContact CE2-CE2 3.41Å; Y316-F347 HydrophobicContact CE2-CE2 3.41Å; Y316-F347 VanDerWaalsContact CE2-CE2 3.41Å; Y316-F347 AromaticContact CE2-CZ 3.53Å; Y316-F347 HydrophobicContact CE2-CZ 3.53Å; Y316-F347 AromaticContact CZ-CE2 3.9Å; Y316-F347 AromaticContact CZ-CZ 3.51Å; Y316-F347 WeakPolarHBondContact OH-CZ 3.44Å
317N92.8Very high88.7Confident109 Ų10947.7 Ų47.758%0.58324%0.238SC*.Hα-helixtrans-70.5-35.2178.2-66.5-43.1000112.2R315 R320 E321R315-N317 VanDerWaalsContact C-N 3.26Å; R315-N317 PolarHBondContact O-N 3.3Å; N317-R320 WeakPolarHBondContact O-CB 3.43Å; N317-R320 PolarHBondContact O-N 3.09Å; N317-E321 PolarHBondContact O-N 3.29Å
318D93Very high87.6Confident72 Ų7248.9 Ų48.939%0.38525%0.245SC..Hα-helixtrans-63.8-43.9175-57.6-6.5000110.5R315 R320 E321 A322 L370R315-D318 HydrophobicContact CB-CB 4.29Å; R315-D318 IonicContact CZ-OD2 2.76Å; R315-D318 IonicContact NE-OD2 3.74Å; R315-D318 PolarHBondContact NE-OD2 3.42Å; R315-D318 IonicContact NH2-OD2 2.68Å; R315-D318 WeakPolarHBondContact O-CB 3.42Å; R315-D318 PolarHBondContact O-N 2.95Å; R315-D318 VanDerWaalsContact O-N 3.13Å; D318-R320 VanDerWaalsContact C-N 3.34Å; D318-R320 PolarHBondContact O-N 3.4Å; D318-E321 PolarHBondContact O-N 3.23Å; D318-A322 VanDerWaalsContact O-CB 3.3Å; D318-A322 WeakPolarHBondContact O-CB 3.37Å; D318-A322 PolarHBondContact O-N 2.81Å; D318-L370 HydrophobicContact CB-CD2 3.82Å
319L93.7Very high86.4Confident0 Ų050 Ų500%025%0.251CS..Hα-helixtrans-61.4-43.1175.1174.858.4000111.4P310 R315 Y316 A322 L323 F347 L364 L370 L372P310-L319 HydrophobicContact CG-CD2 4.4Å; R315-L319 PolarHBondContact O-N 3.04Å; Y316-L319 PolarHBondContact O-N 3.05Å; L319-A322 PolarHBondContact O-N 3.23Å; L319-L323 HydrophobicContact CD1-CD1 3.97Å; L319-L323 HydrophobicContact CD1-CG 3.99Å; L319-L323 HydrophobicContact CG-CD1 4.04Å; L319-L323 HydrophobicContact CG-CG 4.49Å; L319-L323 WeakPolarHBondContact O-CB 3.47Å; L319-L323 WeakPolarHBondContact O-CG 3.36Å; L319-L323 PolarHBondContact O-N 2.96Å; L319-F347 HydrophobicContact CB-CE2 4.49Å; L319-F347 HydrophobicContact CD2-CD2 3.77Å; L319-F347 HydrophobicContact CD2-CE2 4.29Å; L319-F347 HydrophobicContact CG-CD2 3.83Å; L319-F347 HydrophobicContact CG-CE2 4.11Å; L319-L364 HydrophobicContact CD1-CD1 4.18Å; L319-L364 HydrophobicContact CD1-CD2 4.23Å; L319-L370 HydrophobicContact CB-CD1 4.29Å; L319-L370 HydrophobicContact CD1-CD1 4.1Å; L319-L372 HydrophobicContact CD1-CD1 4.15Å; L319-L372 HydrophobicContact CD1-CD2 3.87Å; L319-L372 HydrophobicContact CD2-CD2 4.06Å; L319-L372 HydrophobicContact CG-CD2 4.46Å
320R92.9Very high85.7Confident107 Ų10750.5 Ų50.540%0.40425%0.254SS..Hα-helixtrans-57.7-50.9174.9-171.9-179.5174.3140.44.3111.7Y316 N317 D318 A322 L323 E324 F347Y316-R320 PolarHBondContact O-N 3.5Å; N317-R320 WeakPolarHBondContact O-CB 3.43Å; N317-R320 PolarHBondContact O-N 3.09Å; D318-R320 VanDerWaalsContact C-N 3.34Å; D318-R320 PolarHBondContact O-N 3.4Å; R320-A322 VanDerWaalsContact C-N 3.28Å; R320-A322 PolarHBondContact O-N 3.49Å; R320-L323 PolarHBondContact O-N 3.38Å; R320-E324 HydrophobicContact CG-CG 4.49Å; R320-E324 IonicContact CZ-OE1 3.75Å; R320-E324 IonicContact NE-OE1 3.97Å; R320-E324 PolarHBondContact NE-OE1 3.29Å; R320-E324 IonicContact NH2-OE1 3.72Å; R320-E324 WeakPolarHBondContact O-CB 3.28Å; R320-E324 VanDerWaalsContact O-CG 3.32Å; R320-E324 WeakPolarHBondContact O-CG 3.18Å; R320-E324 PolarHBondContact O-N 3.2Å; R320-F347 HydrophobicContact CB-CE1 4.47Å; R320-F347 HydrophobicContact CB-CE2 3.86Å; R320-F347 HydrophobicContact CB-CZ 3.49Å; R320-F347 VanDerWaalsContact CB-CZ 3.49Å; R320-F347 HydrophobicContact CG-CE1 4.2Å; R320-F347 HydrophobicContact CG-CE2 4.46Å; R320-F347 HydrophobicContact CG-CZ 3.65Å
321E89.2Confident84.6Confident98 Ų9852.4 Ų52.446%0.45827%0.269SS..Hα-helixtrans-63.7-36.9-179-169.4-176.415800111.3N317 D318 K325N317-E321 PolarHBondContact O-N 3.29Å; D318-E321 PolarHBondContact O-N 3.23Å; E321-K325 HydrophobicContact CG-CD 4.41Å; E321-K325 WeakPolarHBondContact O-CB 3.47Å; E321-K325 VanDerWaalsContact O-CG 3.29Å; E321-K325 WeakPolarHBondContact O-CG 3.32Å; E321-K325 PolarHBondContact O-N 3.21Å; E321-K325 VanDerWaalsContact OE1-CE 3.23Å; E321-K325 WeakPolarHBondContact OE1-CE 3.23Å; E321-K325 IonicContact OE1-NZ 3.81Å; E321-K325 PolarHBondContact OE1-NZ 2.64Å
322A91.2Very high84.1Confident1 Ų149.6 Ų49.61%0.00826%0.255CS..Hα-helixtrans-66.4-45.2175.800000112.4D318 L319 R320 K325 L326 L364 F368 L370D318-A322 VanDerWaalsContact O-CB 3.3Å; D318-A322 WeakPolarHBondContact O-CB 3.37Å; D318-A322 PolarHBondContact O-N 2.81Å; L319-A322 PolarHBondContact O-N 3.23Å; R320-A322 VanDerWaalsContact C-N 3.28Å; R320-A322 PolarHBondContact O-N 3.49Å; A322-K325 PolarHBondContact O-N 3.1Å; A322-L326 PolarHBondContact O-N 3.42Å; A322-L364 HydrophobicContact CB-CD2 3.55Å; A322-F368 HydrophobicContact CB-CB 3.83Å; A322-F368 HydrophobicContact CB-CD1 3.55Å; A322-F368 HydrophobicContact CB-CD2 3.82Å; A322-F368 HydrophobicContact CB-CE1 4.04Å; A322-F368 HydrophobicContact CB-CE2 4.26Å; A322-F368 HydrophobicContact CB-CG 3.42Å; A322-F368 VanDerWaalsContact CB-CG 3.42Å; A322-F368 HydrophobicContact CB-CZ 4.35Å; A322-L370 HydrophobicContact CB-CD1 3.53Å
323L91.7Very high84.2Confident0 Ų045.9 Ų45.90%024%0.235CC..Hα-helixtrans-62.7-43.7174.2-74.5170.3000111.7L308 L319 R320 K325 L326 Q327 L333 F335 F347 L364L308-L323 HydrophobicContact CD1-CD2 4.25Å; L319-L323 HydrophobicContact CD1-CD1 3.97Å; L319-L323 HydrophobicContact CD1-CG 3.99Å; L319-L323 HydrophobicContact CG-CD1 4.04Å; L319-L323 HydrophobicContact CG-CG 4.49Å; L319-L323 WeakPolarHBondContact O-CB 3.47Å; L319-L323 WeakPolarHBondContact O-CG 3.36Å; L319-L323 PolarHBondContact O-N 2.96Å; R320-L323 PolarHBondContact O-N 3.38Å; L323-K325 VanDerWaalsContact C-N 3.28Å; L323-K325 PolarHBondContact O-N 2.93Å; L323-L326 PolarHBondContact O-N 2.88Å; L323-Q327 WeakPolarHBondContact O-CB 3.11Å; L323-Q327 PolarHBondContact O-N 3.17Å; L323-L333 HydrophobicContact CD2-CD2 4.13Å; L323-F335 HydrophobicContact CB-CD1 3.96Å; L323-F335 HydrophobicContact CB-CD2 4.33Å; L323-F335 HydrophobicContact CB-CE1 3.88Å; L323-F335 HydrophobicContact CB-CE2 4.26Å; L323-F335 HydrophobicContact CB-CG 4.19Å; L323-F335 HydrophobicContact CB-CZ 4.04Å; L323-F335 HydrophobicContact CD1-CB 4.39Å; L323-F335 HydrophobicContact CD1-CD2 4.2Å; L323-F335 HydrophobicContact CD1-CG 4.18Å; L323-F347 HydrophobicContact CD1-CB 3.66Å; L323-F347 HydrophobicContact CD1-CD1 4.27Å; L323-F347 HydrophobicContact CD1-CD2 3.56Å; L323-F347 HydrophobicContact CD1-CE2 4.31Å; L323-F347 HydrophobicContact CD1-CG 3.54Å; L323-L364 HydrophobicContact CD2-CD1 3.87Å; L323-L364 HydrophobicContact CD2-CD2 4.31Å; L323-L364 HydrophobicContact CG-CD2 4.42Å
324E85.9Confident84.4Confident66 Ų6645.6 Ų45.631%0.30823%0.228SC..Hα-helixtrans-59.4-38.9174.4-75.5175.7-174.300111.2R320 L328 F335R320-E324 HydrophobicContact CG-CG 4.49Å; R320-E324 IonicContact CZ-OE1 3.75Å; R320-E324 IonicContact NE-OE1 3.97Å; R320-E324 PolarHBondContact NE-OE1 3.29Å; R320-E324 IonicContact NH2-OE1 3.72Å; R320-E324 WeakPolarHBondContact O-CB 3.28Å; R320-E324 VanDerWaalsContact O-CG 3.32Å; R320-E324 WeakPolarHBondContact O-CG 3.18Å; R320-E324 PolarHBondContact O-N 3.2Å; E324-L328 WeakPolarHBondContact O-CD2 3.33Å; E324-L328 WeakPolarHBondContact O-CG 3.39Å; E324-F335 HydrophobicContact CB-CZ 4.48Å; E324-F335 HydrophobicContact CG-CE2 4.38Å; E324-F335 HydrophobicContact CG-CZ 3.66Å
325K81.2Confident84.6Confident64 Ų6443.7 Ų43.728%0.27821%0.21SC..Hα-helixtrans-72.9-35.2175.9-77.1172-176167.10113.8E321 A322 L323 L328 F368E321-K325 HydrophobicContact CG-CD 4.41Å; E321-K325 WeakPolarHBondContact O-CB 3.47Å; E321-K325 VanDerWaalsContact O-CG 3.29Å; E321-K325 WeakPolarHBondContact O-CG 3.32Å; E321-K325 PolarHBondContact O-N 3.21Å; E321-K325 VanDerWaalsContact OE1-CE 3.23Å; E321-K325 WeakPolarHBondContact OE1-CE 3.23Å; E321-K325 IonicContact OE1-NZ 3.81Å; E321-K325 PolarHBondContact OE1-NZ 2.64Å; A322-K325 PolarHBondContact O-N 3.1Å; L323-K325 VanDerWaalsContact C-N 3.28Å; L323-K325 PolarHBondContact O-N 2.93Å; K325-L328 WeakPolarHBondContact O-CB 3.47Å; K325-L328 VanDerWaalsContact O-CG 3.25Å; K325-L328 WeakPolarHBondContact O-CG 3.1Å; K325-F368 HydrophobicContact CB-CE1 4.02Å; K325-F368 HydrophobicContact CB-CZ 3.84Å; K325-F368 HydrophobicContact CD-CE1 3.65Å; K325-F368 HydrophobicContact CD-CZ 4.29Å
326L83.4Confident84.7Confident2 Ų246 Ų461%0.0122%0.223CC..Hα-helixtrans-71.5-42177.2-79.8175.5000111.9A322 L323 L328 N329 D330 L333 V360 R363 L364 F368A322-L326 PolarHBondContact O-N 3.42Å; L323-L326 PolarHBondContact O-N 2.88Å; L326-L328 PolarHBondContact O-N 2.89Å; L326-N329 PolarHBondContact O-N 2.59Å; L326-D330 PolarHBondContact O-N 2.93Å; L326-L333 HydrophobicContact CB-CD2 3.93Å; L326-V360 HydrophobicContact CD1-CG1 4.15Å; L326-R363 HydrophobicContact CD1-CB 4.32Å; L326-R363 HydrophobicContact CD2-CB 4.11Å; L326-L364 HydrophobicContact CD1-CD1 4.42Å; L326-L364 HydrophobicContact CD1-CD2 3.41Å; L326-L364 VanDerWaalsContact CD1-CD2 3.41Å; L326-L364 HydrophobicContact CD1-CG 3.52Å; L326-L364 HydrophobicContact CG-CD2 4.5Å; L326-F368 HydrophobicContact CD1-CE2 4.13Å; L326-F368 HydrophobicContact CD2-CE2 4.03Å; L326-F368 HydrophobicContact CG-CE2 3.76Å; L326-F368 HydrophobicContact CG-CZ 4.33Å
327Q81.9Confident84.7Confident72 Ų7248.2 Ų48.234%0.33624%0.242SC..Hα-helixtrans-57.2-18.9176.9-177.7173.267.300113.2L323 D330 L333 F335L323-Q327 WeakPolarHBondContact O-CB 3.11Å; L323-Q327 PolarHBondContact O-N 3.17Å; Q327-D330 CarbonylContact C-O 3.53Å; Q327-D330 WeakPolarHBondContact CA-O 3.46Å; Q327-D330 CarbonylContact O-C 3.49Å; Q327-D330 VanDerWaalsContact O-O 3.12Å; Q327-L333 PolarHBondContact NE2-O 3.36Å; Q327-F335 HydrophobicContact CB-CE1 4.14Å
328L66.2Low84.5Confident25 Ų2544.2 Ų44.213%0.13122%0.22CC..Hα-helixtrans-69.1-41.4176.9-50.3-178000112.9S207 V274 E324 K325 L326S207-L328 PolarHBondContact OG-O 3.08Å; V274-L328 HydrophobicContact CB-CD1 3.75Å; V274-L328 HydrophobicContact CB-CD2 3.28Å; V274-L328 HydrophobicContact CB-CG 3.97Å; V274-L328 HydrophobicContact CG1-CB 3.87Å; V274-L328 HydrophobicContact CG1-CD1 3.73Å; V274-L328 HydrophobicContact CG1-CD2 3.32Å; V274-L328 HydrophobicContact CG1-CG 3.75Å; V274-L328 HydrophobicContact CG2-CD1 3.35Å; V274-L328 HydrophobicContact CG2-CD2 3.88Å; V274-L328 HydrophobicContact CG2-CG 4.13Å; E324-L328 WeakPolarHBondContact O-CD2 3.33Å; E324-L328 WeakPolarHBondContact O-CG 3.39Å; K325-L328 WeakPolarHBondContact O-CB 3.47Å; K325-L328 VanDerWaalsContact O-CG 3.25Å; K325-L328 WeakPolarHBondContact O-CG 3.1Å; L326-L328 PolarHBondContact O-N 2.89Å
329N67Low84.2Confident24 Ų2445.5 Ų45.513%0.12823%0.23CC..Hα-helixtrans-86-34.9178.6-53-54.5000109.3S207 L326S207-N329 PolarHBondContact O-OD1 3.42Å; L326-N329 PolarHBondContact O-N 2.59Å
330D74.2Confident83.7Confident13 Ų1345.9 Ų45.97%0.0723%0.233CC..  trans-112.490.1-175.6-161.8-38.6000111.1L326 Q327 A332 L333 H356L326-D330 PolarHBondContact O-N 2.93Å; Q327-D330 CarbonylContact C-O 3.53Å; Q327-D330 WeakPolarHBondContact CA-O 3.46Å; Q327-D330 CarbonylContact O-C 3.49Å; Q327-D330 VanDerWaalsContact O-O 3.12Å; D330-A332 PolarHBondContact O-N 2.73Å; D330-A332 VanDerWaalsContact O-N 3.16Å; D330-A332 WeakPolarHBondContact OD1-CA 3.46Å; D330-A332 WeakPolarHBondContact OD1-CB 3.48Å; D330-A332 PolarHBondContact OD1-N 3.17Å; D330-L333 HydrophobicContact CB-CB 4.29Å; D330-L333 PolarHBondContact O-N 2.88Å; D330-L333 PolarHBondContact OD1-N 3.31Å; D330-L333 VanDerWaalsContact OD1-N 3.15Å; D330-H356 IonicContact OD1-CE1 3.62Å; D330-H356 PolarHBondContact OD1-CE1 2.97Å; D330-H356 IonicContact OD1-NE2 2.66Å; D330-H356 IonicContact OD2-CD2 2.7Å; D330-H356 PolarHBondContact OD2-CD2 3.36Å; D330-H356 IonicContact OD2-CE1 2.9Å; D330-H356 IonicContact OD2-NE2 3.22Å; D330-H356 PolarHBondContact OD2-NE2 2.88Å
331A67.3Low83Confident44 Ų4449 Ų4936%0.36425%0.252SS..THydrogen-bonded Turntrans-68.3-10.6179.200000113.1Y95Y95-A331 HydrophobicContact CE1-CB 3.99Å
332A75.7Confident82.5Confident1 Ų146.8 Ų46.81%0.00825%0.251CS..THydrogen-bonded Turntrans-87.7-22.4178.900000112.5D330 Q334 L352D330-A332 PolarHBondContact O-N 2.73Å; D330-A332 VanDerWaalsContact O-N 3.16Å; D330-A332 WeakPolarHBondContact OD1-CA 3.46Å; D330-A332 WeakPolarHBondContact OD1-CB 3.48Å; D330-A332 PolarHBondContact OD1-N 3.17Å; A332-Q334 PolarHBondContact O-N 3.04Å; A332-L352 HydrophobicContact CB-CD1 3.45Å; A332-L352 VanDerWaalsContact CB-CD1 3.45Å; A332-L352 HydrophobicContact CB-CD2 3.85Å; A332-L352 HydrophobicContact CB-CG 3.54Å
333L87.1Confident82Confident0 Ų047.6 Ų47.60%026%0.255CS..  trans-66117.8170.7-179.763.6000110.7L323 L326 Q327 D330 C349 F351 V360L323-L333 HydrophobicContact CD2-CD2 4.13Å; L326-L333 HydrophobicContact CB-CD2 3.93Å; Q327-L333 PolarHBondContact NE2-O 3.36Å; D330-L333 HydrophobicContact CB-CB 4.29Å; D330-L333 PolarHBondContact O-N 2.88Å; D330-L333 PolarHBondContact OD1-N 3.31Å; D330-L333 VanDerWaalsContact OD1-N 3.15Å; L333-C349 HydrophobicContact CD1-CB 4.44Å; L333-F351 HydrophobicContact CD1-CD1 3.88Å; L333-F351 HydrophobicContact CD1-CE1 3.58Å; L333-F351 HydrophobicContact CD1-CZ 4.34Å; L333-V360 HydrophobicContact CD1-CG1 4.11Å; L333-V360 HydrophobicContact CD1-CG2 4.48Å; L333-V360 HydrophobicContact CD2-CG1 4.02Å
334Q87.7Confident81.7Confident78 Ų7848.8 Ų48.836%0.36427%0.267SS..EExtended strand (participates in β ladder)trans-114.3145.7170.4-61.7-175.44.100109.3P302 A332 C349 G350P302-Q334 VanDerWaalsContact CD-CD 3.4Å; P302-Q334 HydrophobicContact CG-CB 3.85Å; P302-Q334 VanDerWaalsContact CG-CD 3.45Å; P302-Q334 HydrophobicContact CG-CG 3.64Å; A332-Q334 PolarHBondContact O-N 3.04Å; Q334-C349 CarbonylContact O-C 3.52Å; Q334-C349 VanDerWaalsContact O-CA 3.28Å; Q334-C349 WeakPolarHBondContact O-CA 3.39Å; Q334-G350 PolarHBondContact N-O 3.22Å; Q334-G350 VanDerWaalsContact N-O 3.15Å; Q334-G350 PolarHBondContact O-N 3.5Å
335F92.4Very high82Confident41 Ų4151.4 Ų51.418%0.1828%0.278CS..EExtended strand (participates in β ladder)trans-149.3149.2175.165.6-87.9000112.1L323 E324 Q327 F347 R348 C349L323-F335 HydrophobicContact CB-CD1 3.96Å; L323-F335 HydrophobicContact CB-CD2 4.33Å; L323-F335 HydrophobicContact CB-CE1 3.88Å; L323-F335 HydrophobicContact CB-CE2 4.26Å; L323-F335 HydrophobicContact CB-CG 4.19Å; L323-F335 HydrophobicContact CB-CZ 4.04Å; L323-F335 HydrophobicContact CD1-CB 4.39Å; L323-F335 HydrophobicContact CD1-CD2 4.2Å; L323-F335 HydrophobicContact CD1-CG 4.18Å; E324-F335 HydrophobicContact CB-CZ 4.48Å; E324-F335 HydrophobicContact CG-CE2 4.38Å; E324-F335 HydrophobicContact CG-CZ 3.66Å; Q327-F335 HydrophobicContact CB-CE1 4.14Å; F335-F347 HydrophobicContact CB-CB 4.48Å; F335-F347 AromaticContact CD2-CD1 3.65Å; F335-F347 HydrophobicContact CD2-CD1 3.65Å; F335-F347 HydrophobicContact CD2-CE1 4.09Å; F335-F347 HydrophobicContact CD2-CG 4.35Å; F335-F347 HydrophobicContact CE2-CD1 4.31Å; F335-F347 HydrophobicContact CE2-CE1 4.29Å; F335-R348 CarbonylContact C-O 3.57Å; F335-R348 WeakPolarHBondContact CA-O 3.46Å; F335-C349 HydrophobicContact CB-CB 4.5Å
336E91.8Very high82.5Confident110 Ų11048.4 Ų48.451%0.51427%0.265SS..EExtended strand (participates in β ladder)trans-136.4149172.762.9-179.5-178.900111.1E338 F347 R348E336-E338 PolarHBondContact O-N 2.87Å; E336-F347 CarbonylContact O-C 3.58Å; E336-F347 VanDerWaalsContact O-CA 3.28Å; E336-F347 WeakPolarHBondContact O-CA 3.26Å; E336-R348 HydrophobicContact CG-CB 3.83Å; E336-R348 HydrophobicContact CG-CG 4.4Å; E336-R348 PolarHBondContact N-O 3.25Å; E336-R348 PolarHBondContact O-N 2.89Å
337P93.2Very high83Confident86 Ų8648.3 Ų48.356%0.55826%0.264SS*.EExtended strand (participates in β ladder)trans-59.3130.3177.4-23.233.6000112F347P337-F347 HydrophobicContact CB-CE1 4.35Å; P337-F347 HydrophobicContact CG-CE1 4.1Å
338E88.9Confident83.5Confident25 Ų2545.2 Ų45.212%0.11725%0.249CC..EExtended strand (participates in β ladder)trans-125.8147.9177.6-166.1-175-176.800110.2Y309 E336 G346 R348 N395Y309-E338 WeakPolarHBondContact OH-CG 3.21Å; Y309-E338 PolarHBondContact OH-OE1 3.34Å; Y309-E338 PolarHBondContact OH-OE2 2.83Å; E336-E338 PolarHBondContact O-N 2.87Å; E338-G346 PolarHBondContact N-O 3.5Å; E338-G346 CarbonylContact O-C 3.56Å; E338-G346 PolarHBondContact O-N 3.07Å; E338-G346 VanDerWaalsContact O-O 3.07Å; E338-R348 HydrophobicContact CB-CB 4.02Å; E338-R348 HydrophobicContact CG-CB 4.42Å; E338-N395 PolarHBondContact OE1-ND2 2.73Å
339T86.6Confident84.7Confident98 Ų9844 Ų4460%0.60124%0.243SC*.EExtended strand (participates in β ladder)trans-122.7120.8173.559.70000110.5G344 F345T339-G344 WeakPolarHBondContact CA-O 3.31Å; T339-F345 HydrophobicContact CG2-CD1 3.63Å; T339-F345 HydrophobicContact CG2-CE1 3.79Å
340S82.8Confident85.8Confident9 Ų943 Ų436%0.06324%0.238CC..EExtended strand (participates in β ladder)trans-102139.8169.21650000110.1A342 L343 G344 D503S340-A342 PolarHBondContact O-N 3.45Å; S340-A342 PolarHBondContact OG-N 2.85Å; S340-A342 VanDerWaalsContact OG-N 3.1Å; S340-L343 PolarHBondContact OG-N 3.37Å; S340-L343 VanDerWaalsContact OG-N 3.09Å; S340-G344 PolarHBondContact N-O 2.88Å; S340-G344 VanDerWaalsContact O-CA 3.29Å; S340-G344 WeakPolarHBondContact O-CA 3.38Å; S340-G344 PolarHBondContact O-N 2.87Å; S340-D503 VanDerWaalsContact CA-OD2 3.29Å; S340-D503 WeakPolarHBondContact CA-OD2 3.41Å; S340-D503 PolarHBondContact OG-OD1 2.99Å
341Q78.6Confident86.4Confident172 Ų17242.4 Ų42.480%0.80424%0.235SC*.THydrogen-bonded Turntrans-63.2-32.3172.9-64.3-175.17.200112.1D503Q341-D503 PolarHBondContact N-OD1 3.34Å; Q341-D503 PolarHBondContact N-OD2 2.87Å
342A77.1Confident86.9Confident52 Ų5241.1 Ų41.143%0.4322%0.222SC..THydrogen-bonded Turntrans-90.4-38.5-17800000113.4S340 V502 F598S340-A342 PolarHBondContact O-N 3.45Å; S340-A342 PolarHBondContact OG-N 2.85Å; S340-A342 VanDerWaalsContact OG-N 3.1Å; A342-V502 HydrophobicContact CB-CG1 3.85Å; A342-F598 HydrophobicContact CB-CZ 4.24Å
343L82.1Confident86.9Confident18 Ų1841.1 Ų41.19%0.09422%0.221CC..THydrogen-bonded Turntrans-103.4-9.4-173.3-58.3177.5000113.7Y309 S340 I373 T375 A504 F598Y309-L343 HydrophobicContact CD1-CB 3.52Å; Y309-L343 HydrophobicContact CD1-CD1 4.4Å; Y309-L343 HydrophobicContact CD2-CB 4.21Å; Y309-L343 HydrophobicContact CD2-CD1 3.54Å; Y309-L343 HydrophobicContact CE1-CB 4.02Å; Y309-L343 HydrophobicContact CE2-CD1 3.97Å; Y309-L343 HydrophobicContact CG-CB 3.63Å; Y309-L343 HydrophobicContact CG-CD1 3.8Å; Y309-L343 HydrophobicContact CG-CG 4.37Å; S340-L343 PolarHBondContact OG-N 3.37Å; S340-L343 VanDerWaalsContact OG-N 3.09Å; L343-I373 HydrophobicContact CD1-CG2 4.05Å; L343-I373 HydrophobicContact CD2-CD1 3.88Å; L343-I373 HydrophobicContact CD2-CG2 4.26Å; L343-T375 HydrophobicContact CD1-CG2 4.36Å; L343-A504 HydrophobicContact CD1-CB 3.62Å; L343-A504 HydrophobicContact CG-CB 3.96Å; L343-F598 HydrophobicContact CD2-CD2 4.29Å; L343-F598 HydrophobicContact CD2-CE1 4.29Å; L343-F598 HydrophobicContact CD2-CE2 3.92Å; L343-F598 HydrophobicContact CD2-CZ 3.93Å
344G85.6Confident86.4Confident24 Ų2443 Ų4325%0.24723%0.232CC..EExtended strand (participates in β ladder)trans81.6-139.7-179.700000112.8T339 S340T339-G344 WeakPolarHBondContact CA-O 3.31Å; S340-G344 PolarHBondContact N-O 2.88Å; S340-G344 VanDerWaalsContact O-CA 3.29Å; S340-G344 WeakPolarHBondContact O-CA 3.38Å; S340-G344 PolarHBondContact O-N 2.87Å
345F90.2Very high85.9Confident122 Ų12240.5 Ų40.554%0.53522%0.22SC..EExtended strand (participates in β ladder)trans-85.3129.5-178.4-61.2-80.8000110.8P310 Y316 T339P310-F345 WeakPolarHBondContact CD-O 3.48Å; Y316-F345 HydrophobicContact CD2-CB 3.47Å; Y316-F345 VanDerWaalsContact CD2-CB 3.47Å; Y316-F345 HydrophobicContact CE2-CB 3.72Å; Y316-F345 HydrophobicContact CG-CB 3.97Å; T339-F345 HydrophobicContact CG2-CD1 3.63Å; T339-F345 HydrophobicContact CG2-CE1 3.79Å
346G92.4Very high85.4Confident0 Ų038.5 Ų38.50%021%0.212CC..EExtended strand (participates in β ladder)trans-149-159176.800000111.4L308 E338L308-G346 CarbonylContact O-C 3.34Å; L308-G346 VanDerWaalsContact O-CA 3.26Å; L308-G346 WeakPolarHBondContact O-CA 3.27Å; E338-G346 PolarHBondContact N-O 3.5Å; E338-G346 CarbonylContact O-C 3.56Å; E338-G346 PolarHBondContact O-N 3.07Å; E338-G346 VanDerWaalsContact O-O 3.07Å
347F93.9Very high85Confident1 Ų133.9 Ų33.90%0.00419%0.19CC..EExtended strand (participates in β ladder)trans-133.5134.8178.3-68.3-83.4000110.3G307 L308 Y316 L319 R320 L323 F335 E336 P337G307-F347 CarbonylContact C-O 3.44Å; G307-F347 WeakPolarHBondContact CA-O 3.46Å; L308-F347 PolarHBondContact N-O 2.92Å; L308-F347 PolarHBondContact O-N 2.77Å; Y316-F347 AromaticContact CD2-CE2 3.92Å; Y316-F347 HydrophobicContact CD2-CE2 3.92Å; Y316-F347 HydrophobicContact CD2-CZ 4.38Å; Y316-F347 HydrophobicContact CE1-CZ 4.34Å; Y316-F347 HydrophobicContact CE2-CD2 4.15Å; Y316-F347 HydrophobicContact CE2-CE1 4.37Å; Y316-F347 AromaticContact CE2-CE2 3.41Å; Y316-F347 HydrophobicContact CE2-CE2 3.41Å; Y316-F347 VanDerWaalsContact CE2-CE2 3.41Å; Y316-F347 AromaticContact CE2-CZ 3.53Å; Y316-F347 HydrophobicContact CE2-CZ 3.53Å; Y316-F347 AromaticContact CZ-CE2 3.9Å; Y316-F347 AromaticContact CZ-CZ 3.51Å; Y316-F347 WeakPolarHBondContact OH-CZ 3.44Å; L319-F347 HydrophobicContact CB-CE2 4.49Å; L319-F347 HydrophobicContact CD2-CD2 3.77Å; L319-F347 HydrophobicContact CD2-CE2 4.29Å; L319-F347 HydrophobicContact CG-CD2 3.83Å; L319-F347 HydrophobicContact CG-CE2 4.11Å; R320-F347 HydrophobicContact CB-CE1 4.47Å; R320-F347 HydrophobicContact CB-CE2 3.86Å; R320-F347 HydrophobicContact CB-CZ 3.49Å; R320-F347 VanDerWaalsContact CB-CZ 3.49Å; R320-F347 HydrophobicContact CG-CE1 4.2Å; R320-F347 HydrophobicContact CG-CE2 4.46Å; R320-F347 HydrophobicContact CG-CZ 3.65Å; L323-F347 HydrophobicContact CD1-CB 3.66Å; L323-F347 HydrophobicContact CD1-CD1 4.27Å; L323-F347 HydrophobicContact CD1-CD2 3.56Å; L323-F347 HydrophobicContact CD1-CE2 4.31Å; L323-F347 HydrophobicContact CD1-CG 3.54Å; F335-F347 HydrophobicContact CB-CB 4.48Å; F335-F347 AromaticContact CD2-CD1 3.65Å; F335-F347 HydrophobicContact CD2-CD1 3.65Å; F335-F347 HydrophobicContact CD2-CE1 4.09Å; F335-F347 HydrophobicContact CD2-CG 4.35Å; F335-F347 HydrophobicContact CE2-CD1 4.31Å; F335-F347 HydrophobicContact CE2-CE1 4.29Å; E336-F347 CarbonylContact O-C 3.58Å; E336-F347 VanDerWaalsContact O-CA 3.28Å; E336-F347 WeakPolarHBondContact O-CA 3.26Å; P337-F347 HydrophobicContact CB-CE1 4.35Å; P337-F347 HydrophobicContact CG-CE1 4.1Å
348R92.1Very high84.5Confident7 Ų732.7 Ų32.73%0.02618%0.179CC..EExtended strand (participates in β ladder)trans-82.3112.6166.1-177.266.3173.4172.87.8107.7F335 E336 E338 S378 D394F335-R348 CarbonylContact C-O 3.57Å; F335-R348 WeakPolarHBondContact CA-O 3.46Å; E336-R348 HydrophobicContact CG-CB 3.83Å; E336-R348 HydrophobicContact CG-CG 4.4Å; E336-R348 PolarHBondContact N-O 3.25Å; E336-R348 PolarHBondContact O-N 2.89Å; E338-R348 HydrophobicContact CB-CB 4.02Å; E338-R348 HydrophobicContact CG-CB 4.42Å; R348-S378 PolarHBondContact NH1-OG 2.93Å; R348-S378 VanDerWaalsContact NH1-OG 3.17Å; R348-S378 PolarHBondContact NH2-OG 2.79Å; R348-D394 IonicContact CZ-OD2 3Å; R348-D394 IonicContact NE-OD2 2.98Å; R348-D394 PolarHBondContact NE-OD2 3.42Å; R348-D394 PolarHBondContact NH2-O 3.23Å; R348-D394 IonicContact NH2-OD2 3.4Å; R348-D394 PolarHBondContact NH2-OD2 2.69Å; R348-D394 VanDerWaalsContact NH2-OD2 3.08Å
349C92.6Very high84.2Confident0 Ų031.7 Ų31.70%017%0.174CC..EExtended strand (participates in β ladder)trans-109.2138.6-176.2-62.90000111.1F305 C306 L308 L333 Q334 F335 F351F305-C349 CarbonylContact C-O 3.44Å; F305-C349 WeakPolarHBondContact CA-O 3.24Å; C306-C349 PolarHBondContact N-O 3.33Å; C306-C349 PolarHBondContact O-N 3.33Å; L308-C349 HydrophobicContact CD1-CB 4.2Å; L308-C349 VanDerWaalsContact CD1-SG 3.56Å; L308-C349 HydrophobicContact CG-CB 4.3Å; L333-C349 HydrophobicContact CD1-CB 4.44Å; Q334-C349 CarbonylContact O-C 3.52Å; Q334-C349 VanDerWaalsContact O-CA 3.28Å; Q334-C349 WeakPolarHBondContact O-CA 3.39Å; F335-C349 HydrophobicContact CB-CB 4.5Å; C349-F351 HydrophobicContact CB-CE1 4.22Å; C349-F351 HydrophobicContact CB-CE2 3.64Å; C349-F351 HydrophobicContact CB-CZ 3.38Å; C349-F351 WeakPolarHBondContact O-CE2 3.42Å
350G90Very high84.3Confident1 Ų127.1 Ų27.11%0.0115%0.147CC..EExtended strand (participates in β ladder)trans-109.9136.4173.200000111.4V304 Q334V304-G350 CarbonylContact O-C 3.6Å; V304-G350 WeakPolarHBondContact O-CA 3.44Å; Q334-G350 PolarHBondContact N-O 3.22Å; Q334-G350 VanDerWaalsContact N-O 3.15Å; Q334-G350 PolarHBondContact O-N 3.5Å
351F85.8Confident84.5Confident1 Ų128 Ų280%0.00415%0.15CC..EExtended strand (participates in β ladder)trans-127.7161.7-178.4-46.2-86.5000111.1P302 M303 V304 C306 L308 L333 C349 G353 H356 M357 V360P302-F351 CarbonylContact C-O 3.53Å; P302-F351 WeakPolarHBondContact CA-O 3.48Å; M303-F351 PolarHBondContact N-O 3.42Å; V304-F351 PolarHBondContact N-O 3.34Å; V304-F351 VanDerWaalsContact N-O 3.09Å; V304-F351 PolarHBondContact O-N 3.19Å; C306-F351 HydrophobicContact CB-CE2 4.45Å; C306-F351 WeakPolarHBondContact SG-CE2 3.48Å; L308-F351 HydrophobicContact CD1-CZ 4.4Å; L333-F351 HydrophobicContact CD1-CD1 3.88Å; L333-F351 HydrophobicContact CD1-CE1 3.58Å; L333-F351 HydrophobicContact CD1-CZ 4.34Å; C349-F351 HydrophobicContact CB-CE1 4.22Å; C349-F351 HydrophobicContact CB-CE2 3.64Å; C349-F351 HydrophobicContact CB-CZ 3.38Å; C349-F351 WeakPolarHBondContact O-CE2 3.42Å; F351-G353 VanDerWaalsContact C-N 3.35Å; F351-H356 HydrophobicContact CB-CB 4.45Å; F351-M357 HydrophobicContact CB-CB 4.15Å; F351-M357 VanDerWaalsContact CD1-CA 3.49Å; F351-M357 HydrophobicContact CD1-CB 4.01Å; F351-M357 HydrophobicContact CD1-CG 4.4Å; F351-M357 HydrophobicContact CD2-CB 3.78Å; F351-M357 HydrophobicContact CD2-CG 3.78Å; F351-M357 HydrophobicContact CE1-CB 4.34Å; F351-M357 HydrophobicContact CE1-CG 4.27Å; F351-M357 HydrophobicContact CE2-CB 4.17Å; F351-M357 HydrophobicContact CE2-CG 3.68Å; F351-M357 HydrophobicContact CE2-SD 4.46Å; F351-M357 HydrophobicContact CG-CB 3.68Å; F351-M357 HydrophobicContact CG-CG 4.14Å; F351-M357 HydrophobicContact CZ-CB 4.42Å; F351-M357 HydrophobicContact CZ-CG 3.91Å; F351-V360 HydrophobicContact CD1-CB 4.26Å; F351-V360 HydrophobicContact CD1-CG2 4.29Å; F351-V360 HydrophobicContact CE1-CB 3.8Å; F351-V360 HydrophobicContact CE1-CG1 3.79Å; F351-V360 HydrophobicContact CE1-CG2 4.24Å
352L79.2Confident84.9Confident18 Ų1821.3 Ų21.39%0.09412%0.119CC..SBendtrans-72.4-30.5175.1-65.4177.8000112.4D92 M300 A332 H356D92-L352 WeakPolarHBondContact O-CD1 3.21Å; M300-L352 HydrophobicContact CB-CD2 3.69Å; M300-L352 HydrophobicContact CE-CD2 4.44Å; A332-L352 HydrophobicContact CB-CD1 3.45Å; A332-L352 VanDerWaalsContact CB-CD1 3.45Å; A332-L352 HydrophobicContact CB-CD2 3.85Å; A332-L352 HydrophobicContact CB-CG 3.54Å; L352-H356 HydrophobicContact CB-CB 4.45Å; L352-H356 PolarHBondContact N-ND1 2.81Å
353G75.2Confident85.4Confident0 Ų020.1 Ų20.10%010%0.103CC..SBendtrans-170.5-174-17900000111.5D92 F351 M357D92-G353 WeakPolarHBondContact OD2-CA 3.07Å; F351-G353 VanDerWaalsContact C-N 3.35Å; G353-M357 PolarHBondContact O-N 2.88Å
354L77Confident85.8Confident41 Ų4119.3 Ų19.322%0.21510%0.098CC..Hα-helixtrans-69-39.8-178.6-77.1177.5000112.8D92 H356 M357 D358 P377 V461D92-L354 PolarHBondContact OD2-N 2.92Å; L354-H356 VanDerWaalsContact C-N 3.32Å; L354-M357 HydrophobicContact CD2-CE 4Å; L354-M357 WeakPolarHBondContact O-CB 3.35Å; L354-M357 PolarHBondContact O-N 3.42Å; L354-D358 PolarHBondContact O-N 2.93Å; L354-P377 HydrophobicContact CD2-CB 4.48Å; L354-P377 HydrophobicContact CD2-CG 4.31Å; L354-V461 HydrophobicContact CD2-CG1 3.95Å
355L76.1Confident86Confident24 Ų2421.7 Ų21.713%0.12610%0.103CC..Hα-helixtrans-66.5-41.8179177.265.1000109.7I61 H90 D92 F93 M357 D358 V359I61-L355 HydrophobicContact CD1-CD1 4.23Å; I61-L355 HydrophobicContact CD1-CD2 3.83Å; H90-L355 HydrophobicContact CB-CD2 3.96Å; H90-L355 WeakPolarHBondContact CD2-CD2 3.28Å; D92-L355 HydrophobicContact CB-CB 4.35Å; D92-L355 WeakPolarHBondContact OD2-CA 3.41Å; D92-L355 VanDerWaalsContact OD2-CB 3.31Å; D92-L355 WeakPolarHBondContact OD2-CB 3.35Å; D92-L355 PolarHBondContact OD2-N 2.88Å; F93-L355 HydrophobicContact CE2-CD2 3.82Å; F93-L355 HydrophobicContact CE2-CG 4.15Å; F93-L355 HydrophobicContact CZ-CG 4.5Å; L355-M357 VanDerWaalsContact C-N 3.33Å; L355-M357 PolarHBondContact O-N 2.86Å; L355-D358 PolarHBondContact O-N 2.89Å; L355-V359 HydrophobicContact CD1-CG2 4.15Å; L355-V359 HydrophobicContact CG-CG2 4.33Å; L355-V359 WeakPolarHBondContact O-CB 3.23Å; L355-V359 VanDerWaalsContact O-CG2 3.25Å; L355-V359 WeakPolarHBondContact O-CG2 3.41Å; L355-V359 PolarHBondContact O-N 3.28Å
356H81.8Confident85.8Confident0 Ų021.3 Ų21.30%010%0.098CC..Hα-helixtrans-59.4-44.6173.8177.5-168.9000111D92 F93 D330 F351 L352 L354 D358 V359 V360D92-H356 HydrophobicContact CB-CB 4.12Å; D92-H356 PolarHBondContact OD2-N 2.77Å; F93-H356 HydrophobicContact CE1-CB 4.39Å; D330-H356 IonicContact OD1-CE1 3.62Å; D330-H356 PolarHBondContact OD1-CE1 2.97Å; D330-H356 IonicContact OD1-NE2 2.66Å; D330-H356 IonicContact OD2-CD2 2.7Å; D330-H356 PolarHBondContact OD2-CD2 3.36Å; D330-H356 IonicContact OD2-CE1 2.9Å; D330-H356 IonicContact OD2-NE2 3.22Å; D330-H356 PolarHBondContact OD2-NE2 2.88Å; F351-H356 HydrophobicContact CB-CB 4.45Å; L352-H356 HydrophobicContact CB-CB 4.45Å; L352-H356 PolarHBondContact N-ND1 2.81Å; L354-H356 VanDerWaalsContact C-N 3.32Å; H356-D358 PolarHBondContact O-N 3.44Å; H356-V359 PolarHBondContact O-N 3.33Å; H356-V360 VanDerWaalsContact CD2-CG2 3.47Å; H356-V360 WeakPolarHBondContact CD2-CG2 3.35Å; H356-V360 WeakPolarHBondContact NE2-CG2 3.43Å; H356-V360 WeakPolarHBondContact O-CG2 3.39Å; H356-V360 PolarHBondContact O-N 3.26Å
357M84.2Confident85.4Confident13 Ų1325.8 Ų25.86%0.06412%0.119CC..Hα-helixtrans-56.9-49.9174.4-177.6-169.575.300112.5C306 F351 G353 L354 L355 V359 V360 Q361 P377C306-M357 HydrophobicContact CB-SD 4.08Å; F351-M357 HydrophobicContact CB-CB 4.15Å; F351-M357 VanDerWaalsContact CD1-CA 3.49Å; F351-M357 HydrophobicContact CD1-CB 4.01Å; F351-M357 HydrophobicContact CD1-CG 4.4Å; F351-M357 HydrophobicContact CD2-CB 3.78Å; F351-M357 HydrophobicContact CD2-CG 3.78Å; F351-M357 HydrophobicContact CE1-CB 4.34Å; F351-M357 HydrophobicContact CE1-CG 4.27Å; F351-M357 HydrophobicContact CE2-CB 4.17Å; F351-M357 HydrophobicContact CE2-CG 3.68Å; F351-M357 HydrophobicContact CE2-SD 4.46Å; F351-M357 HydrophobicContact CG-CB 3.68Å; F351-M357 HydrophobicContact CG-CG 4.14Å; F351-M357 HydrophobicContact CZ-CB 4.42Å; F351-M357 HydrophobicContact CZ-CG 3.91Å; G353-M357 PolarHBondContact O-N 2.88Å; L354-M357 HydrophobicContact CD2-CE 4Å; L354-M357 WeakPolarHBondContact O-CB 3.35Å; L354-M357 PolarHBondContact O-N 3.42Å; L355-M357 VanDerWaalsContact C-N 3.33Å; L355-M357 PolarHBondContact O-N 2.86Å; M357-V359 VanDerWaalsContact C-N 3.34Å; M357-V359 PolarHBondContact O-N 2.75Å; M357-V360 PolarHBondContact O-N 3.21Å; M357-Q361 WeakPolarHBondContact O-CB 3.36Å; M357-Q361 PolarHBondContact O-N 3.24Å; M357-P377 HydrophobicContact CE-CG 3.88Å; M357-P377 HydrophobicContact SD-CB 4.35Å; M357-P377 HydrophobicContact SD-CG 3.76Å
358D81.4Confident85.1Confident61 Ų6128.2 Ų28.233%0.32613%0.13SC..Hα-helixtrans-61.2-43.7-179.6-74-9.1000111.7R59 L354 L355 H356 Q361 E362R59-D358 IonicContact NH1-OD2 3.8Å; L354-D358 PolarHBondContact O-N 2.93Å; L355-D358 PolarHBondContact O-N 2.89Å; H356-D358 PolarHBondContact O-N 3.44Å; D358-Q361 PolarHBondContact O-N 3.15Å; D358-E362 VanDerWaalsContact O-CB 3.25Å; D358-E362 WeakPolarHBondContact O-CB 3.46Å; D358-E362 PolarHBondContact O-N 2.91Å
359V83.9Confident84.9Confident3 Ų333.6 Ų33.62%0.01816%0.159CC..Hα-helixtrans-61.8-46.7177.8165.70000110.5L55 I63 F93 L355 H356 M357 E362 R363L55-V359 HydrophobicContact CD2-CB 4.13Å; L55-V359 HydrophobicContact CD2-CG1 3.96Å; L55-V359 HydrophobicContact CD2-CG2 3.94Å; I63-V359 HydrophobicContact CD1-CG1 4.13Å; I63-V359 HydrophobicContact CD1-CG2 3.76Å; I63-V359 HydrophobicContact CG1-CG2 4.42Å; I63-V359 HydrophobicContact CG2-CG1 3.75Å; F93-V359 HydrophobicContact CZ-CB 4.38Å; F93-V359 HydrophobicContact CZ-CG1 4.42Å; F93-V359 HydrophobicContact CZ-CG2 4.08Å; L355-V359 HydrophobicContact CD1-CG2 4.15Å; L355-V359 HydrophobicContact CG-CG2 4.33Å; L355-V359 WeakPolarHBondContact O-CB 3.23Å; L355-V359 VanDerWaalsContact O-CG2 3.25Å; L355-V359 WeakPolarHBondContact O-CG2 3.41Å; L355-V359 PolarHBondContact O-N 3.28Å; H356-V359 PolarHBondContact O-N 3.33Å; M357-V359 VanDerWaalsContact C-N 3.34Å; M357-V359 PolarHBondContact O-N 2.75Å; V359-E362 PolarHBondContact O-N 2.91Å; V359-R363 HydrophobicContact CG1-CG 4.43Å; V359-R363 WeakPolarHBondContact O-CB 3.44Å; V359-R363 WeakPolarHBondContact O-CG 3.42Å; V359-R363 PolarHBondContact O-N 3.01Å
360V88.2Confident84.7Confident3 Ų333.8 Ų33.82%0.01816%0.16CC..Hα-helixtrans-63.9-44.2178.4169.10000111.3L326 L333 F351 H356 M357 E362 R363 L364L326-V360 HydrophobicContact CD1-CG1 4.15Å; L333-V360 HydrophobicContact CD1-CG1 4.11Å; L333-V360 HydrophobicContact CD1-CG2 4.48Å; L333-V360 HydrophobicContact CD2-CG1 4.02Å; F351-V360 HydrophobicContact CD1-CB 4.26Å; F351-V360 HydrophobicContact CD1-CG2 4.29Å; F351-V360 HydrophobicContact CE1-CB 3.8Å; F351-V360 HydrophobicContact CE1-CG1 3.79Å; F351-V360 HydrophobicContact CE1-CG2 4.24Å; H356-V360 VanDerWaalsContact CD2-CG2 3.47Å; H356-V360 WeakPolarHBondContact CD2-CG2 3.35Å; H356-V360 WeakPolarHBondContact NE2-CG2 3.43Å; H356-V360 WeakPolarHBondContact O-CG2 3.39Å; H356-V360 PolarHBondContact O-N 3.26Å; M357-V360 PolarHBondContact O-N 3.21Å; V360-E362 VanDerWaalsContact C-N 3.35Å; V360-E362 PolarHBondContact O-N 2.71Å; V360-R363 PolarHBondContact O-N 2.8Å; V360-L364 HydrophobicContact CG1-CD1 4.06Å; V360-L364 HydrophobicContact CG1-CG 4.48Å; V360-L364 WeakPolarHBondContact O-CG 3.29Å; V360-L364 PolarHBondContact O-N 3.45Å
361Q87.7Confident84.6Confident28 Ų2839.8 Ų39.813%0.13119%0.188CC..Hα-helixtrans-57.9-49.6176.7-179.5-175.4-19.300110.9M357 D358 R363 L364 E365 T374M357-Q361 WeakPolarHBondContact O-CB 3.36Å; M357-Q361 PolarHBondContact O-N 3.24Å; D358-Q361 PolarHBondContact O-N 3.15Å; Q361-R363 VanDerWaalsContact C-N 3.32Å; Q361-R363 PolarHBondContact O-N 3.4Å; Q361-L364 WeakPolarHBondContact O-CB 3.45Å; Q361-L364 PolarHBondContact O-N 3.33Å; Q361-L364 VanDerWaalsContact O-N 3.15Å; Q361-E365 PolarHBondContact NE2-OE1 3.44Å; Q361-E365 WeakPolarHBondContact O-CG 3.38Å; Q361-E365 PolarHBondContact O-N 3.3Å; Q361-T374 VanDerWaalsContact CD-CG2 3.47Å; Q361-T374 HydrophobicContact CG-CG2 4.11Å; Q361-T374 VanDerWaalsContact OE1-CG2 3.27Å
362E86.2Confident84.7Confident31 Ų3140.2 Ų40.215%0.14519%0.19CC..Hα-helixtrans-66.7-34.7-176.9-173.8155.7-164.300112.2L55 R59 D358 V359 V360 E365 R366L55-E362 HydrophobicContact CD1-CG 4.07Å; L55-E362 WeakPolarHBondContact CD1-OE2 3.36Å; L55-E362 HydrophobicContact CD2-CB 4.17Å; L55-E362 HydrophobicContact CD2-CG 4.17Å; R59-E362 IonicContact CZ-OE2 3.66Å; R59-E362 IonicContact NE-OE2 2.66Å; R59-E362 IonicContact NH2-OE2 3.91Å; R59-E362 PolarHBondContact NH2-OE2 3.02Å; D358-E362 VanDerWaalsContact O-CB 3.25Å; D358-E362 WeakPolarHBondContact O-CB 3.46Å; D358-E362 PolarHBondContact O-N 2.91Å; V359-E362 PolarHBondContact O-N 2.91Å; V360-E362 VanDerWaalsContact C-N 3.35Å; V360-E362 PolarHBondContact O-N 2.71Å; E362-E365 PolarHBondContact O-N 2.9Å; E362-R366 HydrophobicContact CG-CG 4.34Å; E362-R366 WeakPolarHBondContact O-CB 3.38Å; E362-R366 VanDerWaalsContact O-CG 3.32Å; E362-R366 WeakPolarHBondContact O-CG 3.43Å; E362-R366 PolarHBondContact O-N 3.27Å; E362-R366 IonicContact OE1-CZ 2.9Å; E362-R366 IonicContact OE1-NE 2.91Å; E362-R366 PolarHBondContact OE1-NE 2.85Å; E362-R366 IonicContact OE1-NH2 3.5Å; E362-R366 PolarHBondContact OE1-NH2 2.85Å
363R88.3Confident84.9Confident27 Ų2739.7 Ų39.710%0.10219%0.187CC..Hα-helixtrans-65.4-42.2170.9-70.8-17878.2-177-5.6112.2M53 L326 V359 V360 Q361 E365 R366 E367M53-R363 HydrophobicContact CE-CG 3.7Å; L326-R363 HydrophobicContact CD1-CB 4.32Å; L326-R363 HydrophobicContact CD2-CB 4.11Å; V359-R363 HydrophobicContact CG1-CG 4.43Å; V359-R363 WeakPolarHBondContact O-CB 3.44Å; V359-R363 WeakPolarHBondContact O-CG 3.42Å; V359-R363 PolarHBondContact O-N 3.01Å; V360-R363 PolarHBondContact O-N 2.8Å; Q361-R363 VanDerWaalsContact C-N 3.32Å; Q361-R363 PolarHBondContact O-N 3.4Å; R363-E365 VanDerWaalsContact C-N 3.29Å; R363-E365 PolarHBondContact O-N 3.28Å; R363-R366 PolarHBondContact O-N 2.82Å; R363-E367 WeakPolarHBondContact CG-OE1 3.35Å; R363-E367 IonicContact CZ-OE1 3.51Å; R363-E367 IonicContact CZ-OE2 3.08Å; R363-E367 IonicContact NE-OE1 3.69Å; R363-E367 PolarHBondContact NE-OE1 2.96Å; R363-E367 IonicContact NE-OE2 2.67Å; R363-E367 IonicContact NH2-OE1 2.64Å; R363-E367 PolarHBondContact NH2-OE1 2.96Å; R363-E367 IonicContact NH2-OE2 3.46Å; R363-E367 PolarHBondContact NH2-OE2 3.44Å; R363-E367 WeakPolarHBondContact O-CA 3.43Å; R363-E367 WeakPolarHBondContact O-CB 3.16Å; R363-E367 PolarHBondContact O-N 2.9Å
364L90.8Very high85.3Confident0 Ų040.2 Ų40.20%019%0.19CC..Hα-helixtrans-59.6-42.9174.3-71.1167.3000111.3L308 L319 A322 L323 L326 V360 Q361 F368 L370 L372L308-L364 HydrophobicContact CD1-CD1 3.64Å; L319-L364 HydrophobicContact CD1-CD1 4.18Å; L319-L364 HydrophobicContact CD1-CD2 4.23Å; A322-L364 HydrophobicContact CB-CD2 3.55Å; L323-L364 HydrophobicContact CD2-CD1 3.87Å; L323-L364 HydrophobicContact CD2-CD2 4.31Å; L323-L364 HydrophobicContact CG-CD2 4.42Å; L326-L364 HydrophobicContact CD1-CD1 4.42Å; L326-L364 HydrophobicContact CD1-CD2 3.41Å; L326-L364 VanDerWaalsContact CD1-CD2 3.41Å; L326-L364 HydrophobicContact CD1-CG 3.52Å; L326-L364 HydrophobicContact CG-CD2 4.5Å; V360-L364 HydrophobicContact CG1-CD1 4.06Å; V360-L364 HydrophobicContact CG1-CG 4.48Å; V360-L364 WeakPolarHBondContact O-CG 3.29Å; V360-L364 PolarHBondContact O-N 3.45Å; Q361-L364 WeakPolarHBondContact O-CB 3.45Å; Q361-L364 PolarHBondContact O-N 3.33Å; Q361-L364 VanDerWaalsContact O-N 3.15Å; L364-F368 HydrophobicContact CD2-CD2 4.29Å; L364-F368 WeakPolarHBondContact O-CB 3.22Å; L364-F368 PolarHBondContact O-N 3.47Å; L364-L370 HydrophobicContact CD2-CD1 4.28Å; L364-L370 PolarHBondContact O-N 2.95Å; L364-L372 HydrophobicContact CB-CD1 3.57Å; L364-L372 HydrophobicContact CD1-CD1 3.63Å; L364-L372 HydrophobicContact CG-CD1 4.2Å
365E88.3Confident85.5Confident75 Ų7538.9 Ų38.935%0.3518%0.184SC..Hα-helixtrans-67.6-46178.7-70.9175-173.400112.5Q361 E362 R363 N369 L370Q361-E365 PolarHBondContact NE2-OE1 3.44Å; Q361-E365 WeakPolarHBondContact O-CG 3.38Å; Q361-E365 PolarHBondContact O-N 3.3Å; E362-E365 PolarHBondContact O-N 2.9Å; R363-E365 VanDerWaalsContact C-N 3.29Å; R363-E365 PolarHBondContact O-N 3.28Å; E365-N369 WeakPolarHBondContact O-CA 3.47Å; E365-N369 PolarHBondContact O-N 3.41Å; E365-L370 VanDerWaalsContact CA-O 3.29Å; E365-L370 WeakPolarHBondContact CA-O 3.29Å; E365-L370 VanDerWaalsContact CG-O 3.29Å; E365-L370 WeakPolarHBondContact CG-O 3.42Å
366R85.9Confident85.6Confident113 Ų11339 Ų3943%0.42619%0.188SC..Hα-helixtrans-85.7-49.2-174.2-65-179.1-177.4-145.33.8114E58 E362 R363E58-R366 VanDerWaalsContact CD-NH1 3.32Å; E58-R366 IonicContact OE1-CZ 3.58Å; E58-R366 IonicContact OE1-NH1 2.96Å; E58-R366 PolarHBondContact OE1-NH1 3.46Å; E58-R366 IonicContact OE1-NH2 3.08Å; E58-R366 PolarHBondContact OE1-NH2 3.39Å; E58-R366 IonicContact OE2-CZ 3.55Å; E58-R366 IonicContact OE2-NH1 2.84Å; E58-R366 PolarHBondContact OE2-NH1 2.77Å; E58-R366 IonicContact OE2-NH2 3.45Å; E58-R366 PolarHBondContact OE2-NH2 2.9Å; E362-R366 HydrophobicContact CG-CG 4.34Å; E362-R366 WeakPolarHBondContact O-CB 3.38Å; E362-R366 VanDerWaalsContact O-CG 3.32Å; E362-R366 WeakPolarHBondContact O-CG 3.43Å; E362-R366 PolarHBondContact O-N 3.27Å; E362-R366 IonicContact OE1-CZ 2.9Å; E362-R366 IonicContact OE1-NE 2.91Å; E362-R366 PolarHBondContact OE1-NE 2.85Å; E362-R366 IonicContact OE1-NH2 3.5Å; E362-R366 PolarHBondContact OE1-NH2 2.85Å; R363-R366 PolarHBondContact O-N 2.82Å
367E84.4Confident85.5Confident95 Ų9540.6 Ų40.644%0.44420%0.199SC..Hα-helixtrans-76.7-35.8-174.4-61.5177.9-163.400111.8R363R363-E367 WeakPolarHBondContact CG-OE1 3.35Å; R363-E367 IonicContact CZ-OE1 3.51Å; R363-E367 IonicContact CZ-OE2 3.08Å; R363-E367 IonicContact NE-OE1 3.69Å; R363-E367 PolarHBondContact NE-OE1 2.96Å; R363-E367 IonicContact NE-OE2 2.67Å; R363-E367 IonicContact NH2-OE1 2.64Å; R363-E367 PolarHBondContact NH2-OE1 2.96Å; R363-E367 IonicContact NH2-OE2 3.46Å; R363-E367 PolarHBondContact NH2-OE2 3.44Å; R363-E367 WeakPolarHBondContact O-CA 3.43Å; R363-E367 WeakPolarHBondContact O-CB 3.16Å; R363-E367 PolarHBondContact O-N 2.9Å
368F87.1Confident85.6Confident52 Ų5240.4 Ų40.423%0.22820%0.199CC..SBendtrans-107.10.3-176.4-58.1-85.5000113.3R315 A322 K325 L326 L364 L370R315-F368 PolarHBondContact NH2-O 3.39Å; A322-F368 HydrophobicContact CB-CB 3.83Å; A322-F368 HydrophobicContact CB-CD1 3.55Å; A322-F368 HydrophobicContact CB-CD2 3.82Å; A322-F368 HydrophobicContact CB-CE1 4.04Å; A322-F368 HydrophobicContact CB-CE2 4.26Å; A322-F368 HydrophobicContact CB-CG 3.42Å; A322-F368 VanDerWaalsContact CB-CG 3.42Å; A322-F368 HydrophobicContact CB-CZ 4.35Å; K325-F368 HydrophobicContact CB-CE1 4.02Å; K325-F368 HydrophobicContact CB-CZ 3.84Å; K325-F368 HydrophobicContact CD-CE1 3.65Å; K325-F368 HydrophobicContact CD-CZ 4.29Å; L326-F368 HydrophobicContact CD1-CE2 4.13Å; L326-F368 HydrophobicContact CD2-CE2 4.03Å; L326-F368 HydrophobicContact CG-CE2 3.76Å; L326-F368 HydrophobicContact CG-CZ 4.33Å; L364-F368 HydrophobicContact CD2-CD2 4.29Å; L364-F368 WeakPolarHBondContact O-CB 3.22Å; L364-F368 PolarHBondContact O-N 3.47Å; F368-L370 HydrophobicContact CB-CD1 3.8Å; F368-L370 HydrophobicContact CB-CG 4.05Å; F368-L370 PolarHBondContact O-N 3.15Å
369N88.6Confident85.9Confident120 Ų12037.5 Ų37.564%0.64218%0.183SC*.  trans51.944.3-179.3-172.744.3000111.3R315 E365R315-N369 VanDerWaalsContact CZ-O 3.22Å; R315-N369 PolarHBondContact NH1-O 3.47Å; R315-N369 PolarHBondContact NH2-O 3.47Å; E365-N369 WeakPolarHBondContact O-CA 3.47Å; E365-N369 PolarHBondContact O-N 3.41Å
370L88.8Confident86.2Confident3 Ų338.9 Ų38.92%0.01619%0.19CC..  trans-103.1124.3-179.3-72.4165.1000110.4R315 D318 L319 A322 L364 E365 F368 L372R315-L370 HydrophobicContact CB-CD2 4.37Å; R315-L370 VanDerWaalsContact NH2-CD2 3.35Å; D318-L370 HydrophobicContact CB-CD2 3.82Å; L319-L370 HydrophobicContact CB-CD1 4.29Å; L319-L370 HydrophobicContact CD1-CD1 4.1Å; A322-L370 HydrophobicContact CB-CD1 3.53Å; L364-L370 HydrophobicContact CD2-CD1 4.28Å; L364-L370 PolarHBondContact O-N 2.95Å; E365-L370 VanDerWaalsContact CA-O 3.29Å; E365-L370 WeakPolarHBondContact CA-O 3.29Å; E365-L370 VanDerWaalsContact CG-O 3.29Å; E365-L370 WeakPolarHBondContact CG-O 3.42Å; F368-L370 HydrophobicContact CB-CD1 3.8Å; F368-L370 HydrophobicContact CB-CG 4.05Å; F368-L370 PolarHBondContact O-N 3.15Å; L370-L372 HydrophobicContact CB-CD2 4.01Å; L370-L372 HydrophobicContact CB-CG 4.18Å
371E86.9Confident86.4Confident128 Ų12839.1 Ų39.160%0.59819%0.191SC*.  trans-88.3120170.9-56.5-180165.500109.2I311I311-E371 HydrophobicContact CB-CB 4.22Å; I311-E371 HydrophobicContact CD1-CB 3.53Å; I311-E371 HydrophobicContact CG1-CB 4.1Å; I311-E371 PolarHBondContact N-O 3.37Å
372L88.3Confident86.6Confident10 Ų1039.4 Ų39.45%0.05219%0.192CC..EExtended strand (participates in β ladder)trans-119.1151.1-170.4-58.2-179.1000112.4Y309 P310 L319 L364 L370Y309-L372 CarbonylContact O-C 3.59Å; Y309-L372 WeakPolarHBondContact O-CA 3.47Å; P310-L372 HydrophobicContact CB-CD2 4.43Å; L319-L372 HydrophobicContact CD1-CD1 4.15Å; L319-L372 HydrophobicContact CD1-CD2 3.87Å; L319-L372 HydrophobicContact CD2-CD2 4.06Å; L319-L372 HydrophobicContact CG-CD2 4.46Å; L364-L372 HydrophobicContact CB-CD1 3.57Å; L364-L372 HydrophobicContact CD1-CD1 3.63Å; L364-L372 HydrophobicContact CG-CD1 4.2Å; L370-L372 HydrophobicContact CB-CD2 4.01Å; L370-L372 HydrophobicContact CB-CG 4.18Å
373I84.6Confident87Confident6 Ų637.9 Ų37.93%0.03119%0.185CC..EExtended strand (participates in β ladder)trans-110.9124.2166.8-55.9168.8000106.5Y309 I311 L343 Q595 F598Y309-I373 PolarHBondContact N-O 3.17Å; Y309-I373 PolarHBondContact O-N 3.47Å; I311-I373 HydrophobicContact CG1-CD1 4.14Å; I311-I373 HydrophobicContact CG1-CG1 3.76Å; L343-I373 HydrophobicContact CD1-CG2 4.05Å; L343-I373 HydrophobicContact CD2-CD1 3.88Å; L343-I373 HydrophobicContact CD2-CG2 4.26Å; I373-Q595 HydrophobicContact CD1-CB 4.17Å; I373-Q595 HydrophobicContact CD1-CG 3.62Å; I373-Q595 HydrophobicContact CG1-CG 4.44Å; I373-F598 HydrophobicContact CG2-CB 4.23Å
374T83.3Confident87.2Confident11 Ų1138 Ų387%0.06719%0.187CC..EExtended strand (participates in β ladder)trans-98.4143.6173.861.80000109.6G307 L308 Q361 L602G307-T374 CarbonylContact O-C 3.57Å; G307-T374 WeakPolarHBondContact O-CA 3.44Å; L308-T374 HydrophobicContact CD2-CG2 3.35Å; Q361-T374 VanDerWaalsContact CD-CG2 3.47Å; Q361-T374 HydrophobicContact CG-CG2 4.11Å; Q361-T374 VanDerWaalsContact OE1-CG2 3.27Å; T374-L602 WeakPolarHBondContact O-CD1 3.33Å
375T80.8Confident87.4Confident14 Ų1438.7 Ų38.79%0.08619%0.191CC..PPolyproline II helixtrans-84.3171.9169.169.20000110.2G307 Y309 L343 P377 A504G307-T375 PolarHBondContact N-OG1 3.06Å; G307-T375 PolarHBondContact O-N 2.72Å; Y309-T375 HydrophobicContact CD2-CG2 4.14Å; Y309-T375 HydrophobicContact CE2-CG2 3.61Å; L343-T375 HydrophobicContact CD1-CG2 4.36Å; T375-P377 WeakPolarHBondContact O-CD 3.32Å; T375-A504 HydrophobicContact CG2-CB 4.41Å
376A77.6Confident87.5Confident25 Ų2539.4 Ų39.421%0.20720%0.201CC..PPolyproline II helixtrans-54.6130.4169.100000109.5L602A376-L602 HydrophobicContact CB-CD2 3.5Å; A376-L602 VanDerWaalsContact N-CD2 3.34Å
377P81.2Confident87.7Confident34 Ų3439.4 Ų39.422%0.22121%0.209CC..PPolyproline II helixtrans-58.8150.5169.6-25.836.3000110.8V304 F305 L354 M357 T375 V461V304-P377 HydrophobicContact CG1-CB 4.03Å; F305-P377 CarbonylContact O-C 3.44Å; F305-P377 WeakPolarHBondContact O-CA 3.42Å; L354-P377 HydrophobicContact CD2-CB 4.48Å; L354-P377 HydrophobicContact CD2-CG 4.31Å; M357-P377 HydrophobicContact CE-CG 3.88Å; M357-P377 HydrophobicContact SD-CB 4.35Å; M357-P377 HydrophobicContact SD-CG 3.76Å; T375-P377 WeakPolarHBondContact O-CD 3.32Å; P377-V461 HydrophobicContact CB-CG1 3.32Å; P377-V461 HydrophobicContact CG-CG1 4.34Å
378S84.8Confident87.9Confident10 Ų1038 Ų387%0.0722%0.22CC..EExtended strand (participates in β ladder)trans-144.1164.1-176.248.60000109.5F305 R348 D394F305-S378 PolarHBondContact N-O 3.36Å; F305-S378 PolarHBondContact O-N 2.9Å; F305-S378 PolarHBondContact O-OG 2.85Å; R348-S378 PolarHBondContact NH1-OG 2.93Å; R348-S378 VanDerWaalsContact NH1-OG 3.17Å; R348-S378 PolarHBondContact NH2-OG 2.79Å; S378-D394 PolarHBondContact OG-O 3.22Å
379V88.2Confident88.1Confident0 Ų038.7 Ų38.70%023%0.229CC..EExtended strand (participates in β ladder)trans-118.1167.3178.9-60.40000109.2Y381 P411 L457 V461V379-Y381 HydrophobicContact CG2-CD1 4.31Å; V379-Y381 HydrophobicContact CG2-CD2 4.38Å; V379-Y381 HydrophobicContact CG2-CE1 3.74Å; V379-Y381 HydrophobicContact CG2-CE2 3.83Å; V379-Y381 VanDerWaalsContact CG2-CZ 3.49Å; V379-Y381 VanDerWaalsContact O-CD2 3.26Å; V379-Y381 WeakPolarHBondContact O-CD2 3.34Å; V379-Y381 WeakPolarHBondContact O-CE2 3.46Å; V379-Y381 PolarHBondContact O-N 2.89Å; V379-P411 HydrophobicContact CB-CG 3.99Å; V379-P411 HydrophobicContact CG2-CG 3.95Å; V379-L457 HydrophobicContact CG1-CB 4.08Å; V379-L457 HydrophobicContact CG1-CD2 3.84Å; V379-L457 HydrophobicContact CG1-CG 3.7Å; V379-V461 HydrophobicContact CG1-CG2 4.11Å
380I89.4Confident88.3Confident31 Ų3137.8 Ų37.816%0.15922%0.221CC..  trans-72.8122.3171.5-66.6167000109.2F305 I392 D394 P411F305-I380 HydrophobicContact CD2-CG1 4.14Å; F305-I380 HydrophobicContact CE2-CD1 3.58Å; F305-I380 HydrophobicContact CE2-CG1 3.56Å; F305-I380 HydrophobicContact CZ-CD1 4.01Å; F305-I380 HydrophobicContact CZ-CG1 4.24Å; I380-I392 HydrophobicContact CG2-CG2 3.59Å; I380-D394 HydrophobicContact CG1-CB 4.32Å; I380-P411 WeakPolarHBondContact O-CD 3.48Å
381Y92.5Very high88.4Confident9 Ų941 Ų414%0.03524%0.238CC..EExtended strand (participates in β ladder)trans-103.7140.9170.2-60-80.7000110.1V379 V393 V408 E410 S458 L490 I508V379-Y381 HydrophobicContact CG2-CD1 4.31Å; V379-Y381 HydrophobicContact CG2-CD2 4.38Å; V379-Y381 HydrophobicContact CG2-CE1 3.74Å; V379-Y381 HydrophobicContact CG2-CE2 3.83Å; V379-Y381 VanDerWaalsContact CG2-CZ 3.49Å; V379-Y381 VanDerWaalsContact O-CD2 3.26Å; V379-Y381 WeakPolarHBondContact O-CD2 3.34Å; V379-Y381 WeakPolarHBondContact O-CE2 3.46Å; V379-Y381 PolarHBondContact O-N 2.89Å; Y381-V393 WeakPolarHBondContact CD2-O 3.14Å; Y381-V393 PolarHBondContact N-O 3.13Å; Y381-V393 PolarHBondContact O-N 3.05Å; Y381-V408 HydrophobicContact CD1-CG1 4.4Å; Y381-E410 HydrophobicContact CD1-CB 3.77Å; Y381-E410 HydrophobicContact CE1-CB 3.79Å; Y381-S458 WeakPolarHBondContact OH-CB 3.25Å; Y381-L490 HydrophobicContact CD1-CD1 3.44Å; Y381-L490 VanDerWaalsContact CD1-CD1 3.44Å; Y381-L490 HydrophobicContact CE1-CD1 3.34Å; Y381-I508 HydrophobicContact CD2-CD1 3.42Å; Y381-I508 VanDerWaalsContact CD2-CD1 3.42Å; Y381-I508 HydrophobicContact CE1-CG2 4.04Å; Y381-I508 HydrophobicContact CE2-CB 3.89Å; Y381-I508 HydrophobicContact CE2-CD1 3.4Å; Y381-I508 VanDerWaalsContact CE2-CD1 3.4Å; Y381-I508 HydrophobicContact CE2-CG1 4.22Å; Y381-I508 HydrophobicContact CE2-CG2 4.06Å; Y381-I508 HydrophobicContact CG-CD1 4.24Å
382H93.4Very high88.6Confident33 Ų3340.6 Ų40.615%0.15324%0.238CC..EExtended strand (participates in β ladder)trans-97.3111.7167.1-59.3159.3000109Q390 V408 E409 Y485H382-Q390 HydrophobicContact CB-CG 4.22Å; H382-V408 WeakPolarHBondContact O-CA 3.39Å; H382-E409 HydrophobicContact CB-CB 4.2Å; H382-E409 PolarHBondContact N-O 2.84Å; H382-E409 IonicContact ND1-OE2 3.73Å; H382-E409 PolarHBondContact O-N 2.91Å; H382-Y485 AromaticContact CD2-CE1 3.94Å; H382-Y485 AromaticContact CE1-CD1 3.63Å; H382-Y485 AromaticContact CE1-CD2 3.9Å; H382-Y485 AromaticContact CE1-CE1 3.48Å; H382-Y485 VanDerWaalsContact CE1-CE1 3.48Å; H382-Y485 WeakPolarHBondContact CE1-CE1 3.45Å; H382-Y485 AromaticContact CE1-CE2 3.76Å; H382-Y485 AromaticContact CE1-CG 3.83Å; H382-Y485 AromaticContact CE1-CZ 3.55Å; H382-Y485 AromaticContact CG-CD1 3.91Å; H382-Y485 AromaticContact CG-CE1 3.92Å; H382-Y485 AromaticContact ND1-CD1 3.4Å; H382-Y485 WeakPolarHBondContact ND1-CD1 3.02Å; H382-Y485 AromaticContact ND1-CE1 3.65Å; H382-Y485 AromaticContact ND1-CG 3.73Å; H382-Y485 AromaticContact NE2-CE1 3.69Å; H382-Y485 AromaticContact NE2-CZ 3.72Å
383V93.9Very high88.7Confident0 Ų040.3 Ų40.30%024%0.237CC..EExtended strand (participates in β ladder)trans-101.2107.9179.5-176.20000108.6L385 L391 V393 F399 P400 I405 V408V383-L385 HydrophobicContact CG1-CD2 4.1Å; V383-L391 HydrophobicContact CB-CB 4.43Å; V383-L391 PolarHBondContact N-O 3.48Å; V383-L391 PolarHBondContact O-N 3.04Å; V383-V393 HydrophobicContact CB-CG2 4.27Å; V383-V393 HydrophobicContact CG2-CB 4.09Å; V383-V393 HydrophobicContact CG2-CG2 3.65Å; V383-F399 HydrophobicContact CG2-CD2 4.26Å; V383-F399 HydrophobicContact CG2-CE2 4.04Å; V383-P400 HydrophobicContact CG1-CG 3.67Å; V383-I405 HydrophobicContact CG1-CD1 4.15Å; V383-I405 HydrophobicContact CG1-CG1 3.91Å; V383-I405 HydrophobicContact CG1-CG2 4.1Å; V383-V408 HydrophobicContact CG1-CG2 4.36Å; V383-V408 HydrophobicContact CG2-CG1 4.16Å; V383-V408 HydrophobicContact CG2-CG2 4.43Å
384N93.5Very high88.7Confident28 Ų2841 Ų4115%0.1524%0.241CC..EExtended strand (participates in β ladder)trans-86121.4175.7-56.7-49.2000109Q390 Q406 N407N384-Q390 VanDerWaalsContact OD1-CG 3.28Å; N384-Q390 WeakPolarHBondContact OD1-CG 3.46Å; N384-Q390 PolarHBondContact OD1-NE2 3.39Å; N384-Q406 WeakPolarHBondContact O-CB 3.44Å; N384-Q406 PolarHBondContact O-N 2.59Å; N384-N407 VanDerWaalsContact CB-OD1 3.22Å; N384-N407 WeakPolarHBondContact CB-OD1 3.18Å; N384-N407 PolarHBondContact N-O 3.4Å; N384-N407 PolarHBondContact ND2-OD1 3.45Å; N384-N407 PolarHBondContact O-N 3.16Å
385L93.4Very high88.7Confident15 Ų1541.4 Ų41.48%0.07924%0.242CC..EExtended strand (participates in β ladder)trans-85159.8-179.4-60.4-168.3000112V383 D387 G388 T389 L391 P400 K404V383-L385 HydrophobicContact CG1-CD2 4.1Å; L385-D387 VanDerWaalsContact CB-OD1 3.3Å; L385-D387 WeakPolarHBondContact CB-OD1 3.47Å; L385-D387 PolarHBondContact O-N 2.92Å; L385-G388 PolarHBondContact O-N 3.29Å; L385-T389 WeakPolarHBondContact CB-O 3.15Å; L385-T389 WeakPolarHBondContact CD1-OG1 3.21Å; L385-T389 PolarHBondContact N-O 3.38Å; L385-L391 HydrophobicContact CD1-CD1 3.78Å; L385-L391 HydrophobicContact CD1-CG 4.06Å; L385-L391 HydrophobicContact CD2-CD1 4.16Å; L385-L391 HydrophobicContact CG-CD1 4.17Å; L385-L391 HydrophobicContact CG-CG 4.23Å; L385-P400 HydrophobicContact CD2-CB 4.23Å; L385-P400 HydrophobicContact CD2-CG 3.82Å; L385-K404 CarbonylContact C-O 3.54Å; L385-K404 WeakPolarHBondContact CA-O 3.46Å; L385-K404 HydrophobicContact CD2-CB 4.31Å; L385-K404 WeakPolarHBondContact CD2-O 3.4Å
386T90.9Very high88.9Confident91 Ų9141.3 Ų41.356%0.55824%0.242SC*.THydrogen-bonded Turntrans-65.8-14.4178.251.80000114.2K404 Q406T386-K404 PolarHBondContact N-O 3.49Å; T386-K404 PolarHBondContact OG1-O 3.23Å; T386-Q406 HydrophobicContact CG2-CB 4.35Å
387D90.9Very high89.3Confident112 Ų11242.3 Ų42.360%0.59925%0.248SC*.THydrogen-bonded Turntrans-88.3-1.6172.965.210000113.6L385 T389L385-D387 VanDerWaalsContact CB-OD1 3.3Å; L385-D387 WeakPolarHBondContact CB-OD1 3.47Å; L385-D387 PolarHBondContact O-N 2.92Å; D387-T389 WeakPolarHBondContact OD1-CB 3.38Å; D387-T389 PolarHBondContact OD1-N 2.91Å; D387-T389 PolarHBondContact OD1-OG1 3.37Å
388G88.7Confident89.5Confident65 Ų6545.8 Ų45.867%0.6726%0.264SS*.SBendtrans87.51.2-17900000114.8L385L385-G388 PolarHBondContact O-N 3.29Å
389T91.2Very high89.6Confident68 Ų6846.1 Ų46.142%0.41726%0.264SS..  trans-80.9142.6172.162.50000111L385 D387L385-T389 WeakPolarHBondContact CB-O 3.15Å; L385-T389 WeakPolarHBondContact CD1-OG1 3.21Å; L385-T389 PolarHBondContact N-O 3.38Å; D387-T389 WeakPolarHBondContact OD1-CB 3.38Å; D387-T389 PolarHBondContact OD1-N 2.91Å; D387-T389 PolarHBondContact OD1-OG1 3.37Å
390Q91.2Very high89.6Confident101 Ų10147.1 Ų47.147%0.47227%0.271SS..EExtended strand (participates in β ladder)trans-102.9126.7173.5-17917575.700109.1H382 N384H382-Q390 HydrophobicContact CB-CG 4.22Å; N384-Q390 VanDerWaalsContact OD1-CG 3.28Å; N384-Q390 WeakPolarHBondContact OD1-CG 3.46Å; N384-Q390 PolarHBondContact OD1-NE2 3.39Å
391L92Very high89.5Confident70 Ų7050.2 Ų50.237%0.36629%0.288SS..EExtended strand (participates in β ladder)trans-104.1133173.1-64.5-178.4000109.8V383 L385 V393 P400V383-L391 HydrophobicContact CB-CB 4.43Å; V383-L391 PolarHBondContact N-O 3.48Å; V383-L391 PolarHBondContact O-N 3.04Å; L385-L391 HydrophobicContact CD1-CD1 3.78Å; L385-L391 HydrophobicContact CD1-CG 4.06Å; L385-L391 HydrophobicContact CD2-CD1 4.16Å; L385-L391 HydrophobicContact CG-CD1 4.17Å; L385-L391 HydrophobicContact CG-CG 4.23Å; L391-V393 HydrophobicContact CB-CG2 4.25Å; L391-P400 HydrophobicContact CD1-CG 4.41Å
392I91.2Very high89.1Confident120 Ų12054 Ų5462%0.61531%0.313SS*.EExtended strand (participates in β ladder)trans-87.3118.6169.2-63.7176.1000106.6I380I380-I392 HydrophobicContact CG2-CG2 3.59Å
393V89.9Confident88.7Confident3 Ų356.7 Ų56.72%0.01834%0.336CS..EExtended strand (participates in β ladder)trans-122.9109.8-177.3-179.80000108.5Y381 V383 L391 N395 D398 F399Y381-V393 WeakPolarHBondContact CD2-O 3.14Å; Y381-V393 PolarHBondContact N-O 3.13Å; Y381-V393 PolarHBondContact O-N 3.05Å; V383-V393 HydrophobicContact CB-CG2 4.27Å; V383-V393 HydrophobicContact CG2-CB 4.09Å; V383-V393 HydrophobicContact CG2-CG2 3.65Å; L391-V393 HydrophobicContact CB-CG2 4.25Å; V393-N395 VanDerWaalsContact CG1-O 3.23Å; V393-N395 WeakPolarHBondContact CG1-O 3.23Å; V393-D398 HydrophobicContact CG1-CB 4.49Å; V393-F399 HydrophobicContact CG1-CB 4.38Å; V393-F399 HydrophobicContact CG1-CD2 4.32Å
394D83.8Confident88.5Confident22 Ų2262.4 Ų62.412%0.11836%0.361CS..  trans-98.9-38.817071.7-44.4000110F305 R348 S378 I380F305-D394 HydrophobicContact CD1-CB 4.48Å; F305-D394 HydrophobicContact CD2-CB 4.36Å; F305-D394 HydrophobicContact CG-CB 4.24Å; R348-D394 IonicContact CZ-OD2 3Å; R348-D394 IonicContact NE-OD2 2.98Å; R348-D394 PolarHBondContact NE-OD2 3.42Å; R348-D394 PolarHBondContact NH2-O 3.23Å; R348-D394 IonicContact NH2-OD2 3.4Å; R348-D394 PolarHBondContact NH2-OD2 2.69Å; R348-D394 VanDerWaalsContact NH2-OD2 3.08Å; S378-D394 PolarHBondContact OG-O 3.22Å; I380-D394 HydrophobicContact CG1-CB 4.32Å
395N85.1Confident88.3Confident18 Ų1862.6 Ų62.610%0.09636%0.362CS..SBendtrans-84.4124.3178.7-168.6-21.5000111.9E338 V393 S397 D398E338-N395 PolarHBondContact OE1-ND2 2.73Å; V393-N395 VanDerWaalsContact CG1-O 3.23Å; V393-N395 WeakPolarHBondContact CG1-O 3.23Å; N395-S397 PolarHBondContact O-N 3.05Å; N395-S397 WeakPolarHBondContact OD1-CB 3.3Å; N395-S397 PolarHBondContact OD1-N 3.34Å; N395-S397 PolarHBondContact OD1-OG 2.91Å; N395-D398 PolarHBondContact O-N 3.24Å
396P85Confident88.2Confident13 Ų1368.2 Ų68.28%0.08439%0.388CS..G310 helixtrans-53.7-29.2173.2-27.335.8000113.6D398 F399 K492 S506 I508P396-D398 VanDerWaalsContact C-N 3.31Å; P396-D398 PolarHBondContact O-N 2.97Å; P396-F399 VanDerWaalsContact O-CB 3.3Å; P396-F399 WeakPolarHBondContact O-CB 3.44Å; P396-F399 PolarHBondContact O-N 3.31Å; P396-K492 VanDerWaalsContact O-CD 3.23Å; P396-K492 WeakPolarHBondContact O-CD 3.25Å; P396-K492 WeakPolarHBondContact O-CE 3.43Å; P396-K492 PolarHBondContact O-NZ 3.25Å; P396-S506 WeakPolarHBondContact CB-O 3.19Å; P396-S506 WeakPolarHBondContact CG-O 3.42Å; P396-I508 HydrophobicContact CB-CG1 4.38Å
397S84.2Confident88.3Confident46 Ų4665.3 Ų65.332%0.32237%0.369SS..G310 helixtrans-62.2-36.4178.5-65.70000113N395 F399 K492N395-S397 PolarHBondContact O-N 3.05Å; N395-S397 WeakPolarHBondContact OD1-CB 3.3Å; N395-S397 PolarHBondContact OD1-N 3.34Å; N395-S397 PolarHBondContact OD1-OG 2.91Å; S397-F399 VanDerWaalsContact C-N 3.28Å; S397-F399 PolarHBondContact O-N 3.11Å; S397-K492 PolarHBondContact O-NZ 2.81Å; S397-K492 VanDerWaalsContact O-NZ 3.09Å
398D85.9Confident88.4Confident106 Ų10660.3 Ų60.357%0.56734%0.342SS*.G310 helixtrans-83.7-3.5-177.3-62.6-37.3000113.6V393 N395 P396 P400V393-D398 HydrophobicContact CG1-CB 4.49Å; N395-D398 PolarHBondContact O-N 3.24Å; P396-D398 VanDerWaalsContact C-N 3.31Å; P396-D398 PolarHBondContact O-N 2.97Å; D398-P400 WeakPolarHBondContact O-CD 3.34Å
399F88.2Confident88.7Confident17 Ų1759.4 Ų59.48%0.07532%0.32CS..PPolyproline II helixtrans-59.1122175.5-161.7-91.1000110.6V383 V393 P396 S397 I405 V408 K492 I508V383-F399 HydrophobicContact CG2-CD2 4.26Å; V383-F399 HydrophobicContact CG2-CE2 4.04Å; V393-F399 HydrophobicContact CG1-CB 4.38Å; V393-F399 HydrophobicContact CG1-CD2 4.32Å; P396-F399 VanDerWaalsContact O-CB 3.3Å; P396-F399 WeakPolarHBondContact O-CB 3.44Å; P396-F399 PolarHBondContact O-N 3.31Å; S397-F399 VanDerWaalsContact C-N 3.28Å; S397-F399 PolarHBondContact O-N 3.11Å; F399-I405 HydrophobicContact CD1-CD1 3.95Å; F399-I405 HydrophobicContact CE1-CD1 3.24Å; F399-I405 HydrophobicContact CZ-CD1 3.64Å; F399-V408 HydrophobicContact CE2-CG1 4.37Å; F399-V408 HydrophobicContact CE2-CG2 4.23Å; F399-V408 HydrophobicContact CZ-CG2 3.94Å; F399-K492 HydrophobicContact CB-CB 4.41Å; F399-K492 HydrophobicContact CB-CD 3.78Å; F399-K492 HydrophobicContact CD1-CB 3.76Å; F399-K492 HydrophobicContact CD1-CD 4.38Å; F399-K492 HydrophobicContact CE1-CB 4.22Å; F399-K492 HydrophobicContact CG-CB 4.15Å; F399-K492 HydrophobicContact CG-CD 4.39Å; F399-I508 HydrophobicContact CD2-CD1 3.54Å; F399-I508 HydrophobicContact CD2-CG1 4.02Å; F399-I508 HydrophobicContact CE2-CD1 4.04Å; F399-I508 HydrophobicContact CE2-CG1 4.36Å; F399-I508 HydrophobicContact CG-CD1 4.39Å
400P88.3Confident88.9Confident22 Ų2256.2 Ų56.214%0.14330%0.301CS..PPolyproline II helixtrans-70.4166.8-171.626.4-33.2000112.6V383 L385 L391 D398 I405V383-P400 HydrophobicContact CG1-CG 3.67Å; L385-P400 HydrophobicContact CD2-CB 4.23Å; L385-P400 HydrophobicContact CD2-CG 3.82Å; L391-P400 HydrophobicContact CD1-CG 4.41Å; D398-P400 WeakPolarHBondContact O-CD 3.34Å; P400-I405 HydrophobicContact CG-CD1 3.94Å; P400-I405 HydrophobicContact CG-CG1 3.82Å
401D85.7Confident88.9Confident96 Ų9651.5 Ų51.551%0.51328%0.279SS..PPolyproline II helixtrans-59.1133.4175-172.8-76000110.4S403 K404D401-S403 PolarHBondContact O-N 2.78Å; D401-S403 VanDerWaalsContact OD1-CB 3.27Å; D401-S403 WeakPolarHBondContact OD1-CB 3.31Å; D401-S403 PolarHBondContact OD1-N 3.11Å; D401-S403 PolarHBondContact OD1-OG 3.27Å; D401-K404 PolarHBondContact O-N 2.98Å
402P84.6Confident89Confident87 Ų8748.6 Ų48.657%0.56526%0.263SS*.G310 helixtrans-53.3-25.1-178.4-28.635.1000115.2K404 I405P402-K404 PolarHBondContact O-N 2.9Å; P402-I405 PolarHBondContact O-N 3.18Å
403S85.6Confident89Confident90 Ų9042.9 Ų42.963%0.62923%0.234SC*.G310 helixtrans-67.2-20.9176.160.90000114.2D401D401-S403 PolarHBondContact O-N 2.78Å; D401-S403 VanDerWaalsContact OD1-CB 3.27Å; D401-S403 WeakPolarHBondContact OD1-CB 3.31Å; D401-S403 PolarHBondContact OD1-N 3.11Å; D401-S403 PolarHBondContact OD1-OG 3.27Å
404K88.8Confident89Confident120 Ų12046.1 Ų46.152%0.52225%0.248SC..G310 helixtrans-95.1-9.3178.8-60.5-175.8-179.8-178.10113.1L385 T386 D401 P402L385-K404 CarbonylContact C-O 3.54Å; L385-K404 WeakPolarHBondContact CA-O 3.46Å; L385-K404 HydrophobicContact CD2-CB 4.31Å; L385-K404 WeakPolarHBondContact CD2-O 3.4Å; T386-K404 PolarHBondContact N-O 3.49Å; T386-K404 PolarHBondContact OG1-O 3.23Å; D401-K404 PolarHBondContact O-N 2.98Å; P402-K404 PolarHBondContact O-N 2.9Å
405I89.6Confident89.2Confident32 Ų3245.1 Ų45.116%0.16424%0.242CC..EExtended strand (participates in β ladder)trans-91.3126.7-173.1-59.5178.3000109.7V383 F399 P400 P402 V408V383-I405 HydrophobicContact CG1-CD1 4.15Å; V383-I405 HydrophobicContact CG1-CG1 3.91Å; V383-I405 HydrophobicContact CG1-CG2 4.1Å; F399-I405 HydrophobicContact CD1-CD1 3.95Å; F399-I405 HydrophobicContact CE1-CD1 3.24Å; F399-I405 HydrophobicContact CZ-CD1 3.64Å; P400-I405 HydrophobicContact CG-CD1 3.94Å; P400-I405 HydrophobicContact CG-CG1 3.82Å; P402-I405 PolarHBondContact O-N 3.18Å; I405-V408 HydrophobicContact CG2-CG2 3.68Å
406Q91.4Very high89.2Confident134 Ų13445.6 Ų45.663%0.62625%0.245SC*.EExtended strand (participates in β ladder)trans-85.3-56.2169.4-179.1174.50.400110.4N384 T386N384-Q406 WeakPolarHBondContact O-CB 3.44Å; N384-Q406 PolarHBondContact O-N 2.59Å; T386-Q406 HydrophobicContact CG2-CB 4.35Å
407N92.6Very high89.1Confident30 Ų3045 Ų4516%0.1624%0.241CC..EExtended strand (participates in β ladder)trans-152.2168.4172.965.514000110.5N384 E487N384-N407 VanDerWaalsContact CB-OD1 3.22Å; N384-N407 WeakPolarHBondContact CB-OD1 3.18Å; N384-N407 PolarHBondContact N-O 3.4Å; N384-N407 PolarHBondContact ND2-OD1 3.45Å; N384-N407 PolarHBondContact O-N 3.16Å; N407-E487 VanDerWaalsContact CB-CD 3.45Å; N407-E487 HydrophobicContact CB-CG 3.88Å; N407-E487 WeakPolarHBondContact CB-OE1 3.18Å; N407-E487 PolarHBondContact ND2-OE2 3.16Å
408V94.2Very high88.8Confident6 Ų643.7 Ų43.74%0.03623%0.23CC..EExtended strand (participates in β ladder)trans-130129.2178.6-174.40000107.9Y381 H382 V383 F399 I405 E487 S488 L490Y381-V408 HydrophobicContact CD1-CG1 4.4Å; H382-V408 WeakPolarHBondContact O-CA 3.39Å; V383-V408 HydrophobicContact CG1-CG2 4.36Å; V383-V408 HydrophobicContact CG2-CG1 4.16Å; V383-V408 HydrophobicContact CG2-CG2 4.43Å; F399-V408 HydrophobicContact CE2-CG1 4.37Å; F399-V408 HydrophobicContact CE2-CG2 4.23Å; F399-V408 HydrophobicContact CZ-CG2 3.94Å; I405-V408 HydrophobicContact CG2-CG2 3.68Å; V408-E487 WeakPolarHBondContact O-CA 3.37Å; V408-S488 PolarHBondContact O-N 2.93Å; V408-L490 HydrophobicContact CB-CB 4.35Å; V408-L490 HydrophobicContact CG1-CB 4.23Å; V408-L490 HydrophobicContact CG1-CD1 3.79Å
409E94.9Very high88.6Confident47 Ų4738.7 Ų38.722%0.2220%0.203CC..EExtended strand (participates in β ladder)trans-104.8139.4174.4-51.7171.5161.200109.4H382 Y485 R486H382-E409 HydrophobicContact CB-CB 4.2Å; H382-E409 PolarHBondContact N-O 2.84Å; H382-E409 IonicContact ND1-OE2 3.73Å; H382-E409 PolarHBondContact O-N 2.91Å; E409-Y485 HydrophobicContact CB-CD1 4.28Å; E409-R486 VanDerWaalsContact CA-O 3.27Å; E409-R486 WeakPolarHBondContact CA-O 3.16Å
410E94.2Very high88Confident0 Ų039.4 Ų39.40%021%0.21CC..EExtended strand (participates in β ladder)trans-120.2153.5171.768.1-176.5140.900111.1Y381 F412 R435 P456 S458 Y485 R486 S488 L490Y381-E410 HydrophobicContact CD1-CB 3.77Å; Y381-E410 HydrophobicContact CE1-CB 3.79Å; E410-F412 HydrophobicContact CG-CD2 4.27Å; E410-F412 HydrophobicContact CG-CE2 3.83Å; E410-F412 PolarHBondContact O-N 3.12Å; E410-R435 VanDerWaalsContact CD-NH2 3.33Å; E410-R435 IonicContact OE1-CZ 4Å; E410-R435 IonicContact OE1-NH1 2.64Å; E410-R435 PolarHBondContact OE1-NH1 3.17Å; E410-R435 IonicContact OE1-NH2 3.91Å; E410-R435 PolarHBondContact OE1-NH2 2.95Å; E410-R435 IonicContact OE2-NH2 2.89Å; E410-R435 PolarHBondContact OE2-NH2 3.45Å; E410-P456 HydrophobicContact CG-CB 4.33Å; E410-S458 PolarHBondContact OE2-OG 3.26Å; E410-Y485 WeakPolarHBondContact O-CA 3.28Å; E410-R486 PolarHBondContact N-O 2.79Å; E410-R486 PolarHBondContact O-N 3.35Å; E410-S488 WeakPolarHBondContact OE1-CB 3.36Å; E410-S488 PolarHBondContact OE1-OG 3.42Å; E410-L490 HydrophobicContact CB-CD1 3.85Å; E410-L490 HydrophobicContact CG-CD1 4.28Å
411P92.8Very high87.6Confident2 Ų241.7 Ų41.71%0.01322%0.221CC..EExtended strand (participates in β ladder)trans-71.8129.1178.524.5-30000109.9V379 I380 L457 M482 Y485V379-P411 HydrophobicContact CB-CG 3.99Å; V379-P411 HydrophobicContact CG2-CG 3.95Å; I380-P411 WeakPolarHBondContact O-CD 3.48Å; P411-L457 HydrophobicContact CB-CB 4.38Å; P411-L457 HydrophobicContact CG-CB 4.07Å; P411-L457 HydrophobicContact CG-CD2 4.27Å; P411-L457 PolarHBondContact O-N 3.16Å; P411-M482 HydrophobicContact CB-CE 3.73Å; P411-Y485 HydrophobicContact CB-CD1 4.45Å; P411-Y485 HydrophobicContact CB-CE1 4Å; P411-Y485 HydrophobicContact CB-CE2 4.21Å; P411-Y485 HydrophobicContact CG-CE1 4.2Å
412F93.1Very high87.4Confident10 Ų1044.2 Ų44.24%0.04423%0.234CC..EExtended strand (participates in β ladder)trans-97.5152.9165.8-82.4-114.8000109.8E410 N454 P456 A483 D484 R486E410-F412 HydrophobicContact CG-CD2 4.27Å; E410-F412 HydrophobicContact CG-CE2 3.83Å; E410-F412 PolarHBondContact O-N 3.12Å; F412-N454 HydrophobicContact CD1-CB 4.29Å; F412-P456 HydrophobicContact CD1-CG 4.4Å; F412-P456 HydrophobicContact CE1-CB 4.42Å; F412-P456 HydrophobicContact CE1-CG 3.77Å; F412-P456 HydrophobicContact CE2-CB 4.19Å; F412-P456 HydrophobicContact CE2-CG 4.17Å; F412-P456 HydrophobicContact CZ-CB 4.17Å; F412-P456 HydrophobicContact CZ-CG 3.64Å; F412-A483 HydrophobicContact CB-CB 4.42Å; F412-A483 WeakPolarHBondContact O-CA 3.07Å; F412-A483 WeakPolarHBondContact O-CB 3.23Å; F412-A483 PolarHBondContact O-N 2.92Å; F412-D484 WeakPolarHBondContact CB-O 3.16Å; F412-D484 PolarHBondContact N-O 2.92Å; F412-R486 HydrophobicContact CD2-CB 3.72Å; F412-R486 HydrophobicContact CD2-CG 3.78Å; F412-R486 HydrophobicContact CE2-CB 3.64Å; F412-R486 HydrophobicContact CE2-CG 4.11Å; F412-R486 HydrophobicContact CG-CG 4.19Å; F412-R486 HydrophobicContact CZ-CB 4.4Å
413V90.1Very high87.5Confident0 Ų042.3 Ų42.30%022%0.216CC..EExtended strand (participates in β ladder)trans-125.9148.6169.6-53.70000109.4A415 N454 I455 L457 I460 Y480 E481 M482V413-A415 PolarHBondContact O-N 3.02Å; V413-N454 CarbonylContact O-C 3.59Å; V413-N454 WeakPolarHBondContact O-CA 3.46Å; V413-I455 PolarHBondContact N-O 2.93Å; V413-I455 PolarHBondContact O-N 2.84Å; V413-L457 HydrophobicContact CG1-CB 4.07Å; V413-L457 HydrophobicContact CG1-CD1 3.95Å; V413-L457 HydrophobicContact CG1-CG 4.41Å; V413-I460 HydrophobicContact CG2-CD1 3.19Å; V413-I460 HydrophobicContact CG2-CG1 4.49Å; V413-Y480 HydrophobicContact CB-CD2 3.82Å; V413-Y480 HydrophobicContact CB-CG 4.23Å; V413-Y480 HydrophobicContact CG1-CD2 3.68Å; V413-Y480 HydrophobicContact CG1-CE2 4.26Å; V413-Y480 HydrophobicContact CG2-CD2 3.96Å; V413-Y480 HydrophobicContact CG2-CG 3.97Å; V413-E481 CarbonylContact C-O 3.5Å; V413-E481 WeakPolarHBondContact CA-O 3.35Å; V413-E481 VanDerWaalsContact CB-O 3.28Å; V413-E481 WeakPolarHBondContact CB-O 3.33Å; V413-M482 HydrophobicContact CG1-SD 3.71Å
414K90.6Very high87.7Confident71 Ų7138.5 Ų38.531%0.30919%0.189SC..EExtended strand (participates in β ladder)trans-88.3102.4167.9-174.8-156.6-177.1-1780107.5I439 V452 Y453 Y480 E481K414-I439 HydrophobicContact CG-CD1 3.91Å; K414-V452 HydrophobicContact CD-CG1 4.29Å; K414-V452 HydrophobicContact CG-CG1 3.8Å; K414-Y453 CarbonylContact C-O 3.59Å; K414-Y453 WeakPolarHBondContact CA-O 3.38Å; K414-Y480 VanDerWaalsContact O-CA 3.28Å; K414-Y480 WeakPolarHBondContact O-CA 3.2Å; K414-E481 HydrophobicContact CB-CG 3.81Å; K414-E481 HydrophobicContact CD-CG 4.07Å; K414-E481 WeakPolarHBondContact CD-OE1 3.28Å; K414-E481 PolarHBondContact N-O 3.45Å; K414-E481 IonicContact NZ-OE1 3.96Å; K414-E481 PolarHBondContact NZ-OE1 2.87Å; K414-E481 PolarHBondContact O-N 3.39Å; K414-E481 VanDerWaalsContact O-N 3.09Å
415A88.3Confident87.8Confident0 Ų035.2 Ų35.20%019%0.189CC..EExtended strand (participates in β ladder)trans-84123.4178.700000110.4V413 V452 Y453 I455 I460 L478 D479V413-A415 PolarHBondContact O-N 3.02Å; A415-V452 WeakPolarHBondContact O-CA 3.47Å; A415-Y453 PolarHBondContact N-O 3.06Å; A415-Y453 PolarHBondContact O-N 2.64Å; A415-I455 HydrophobicContact CB-CD1 3.98Å; A415-I455 HydrophobicContact CB-CG1 4.17Å; A415-I460 HydrophobicContact CB-CD1 4.45Å; A415-L478 HydrophobicContact CB-CD1 3.71Å; A415-D479 CarbonylContact C-O 3.55Å; A415-D479 WeakPolarHBondContact CA-O 3.31Å
416N84.6Confident87.9Confident29 Ų2935.2 Ų35.216%0.15519%0.194CC..EExtended strand (participates in β ladder)trans-100.7113.4168.9-58.6-62.3000108D479N416-D479 HydrophobicContact CB-CB 4.49Å; N416-D479 PolarHBondContact N-O 2.91Å; N416-D479 PolarHBondContact O-N 2.78Å
417I84.3Confident87.9Confident0 Ų028.9 Ų28.90%016%0.164CC..EExtended strand (participates in β ladder)trans-112.4105.9-178.6-54.5170.8000108.7V427 V451 F464 L468 A476 S477 L478I417-V427 HydrophobicContact CB-CG1 4.03Å; I417-V427 HydrophobicContact CD1-CG1 3.76Å; I417-V427 HydrophobicContact CG1-CG1 4.5Å; I417-V427 HydrophobicContact CG2-CG1 3.59Å; I417-V427 HydrophobicContact CG2-CG2 4.22Å; I417-V451 PolarHBondContact N-O 2.7Å; I417-V451 PolarHBondContact O-N 2.7Å; I417-F464 HydrophobicContact CD1-CE1 4.11Å; I417-F464 HydrophobicContact CD1-CZ 3.83Å; I417-L468 HydrophobicContact CG2-CD1 3.91Å; I417-L468 HydrophobicContact CG2-CD2 4.18Å; I417-A476 HydrophobicContact CG2-CB 4.39Å; I417-S477 VanDerWaalsContact CA-O 3.32Å; I417-S477 WeakPolarHBondContact CA-O 3.43Å; I417-L478 HydrophobicContact CD1-CD1 4.36Å; I417-L478 HydrophobicContact CG1-CD1 3.68Å
418M77.3Confident87.9Confident18 Ų1829.9 Ų29.99%0.08917%0.169CC..EExtended strand (participates in β ladder)trans-87.1130.4173.6-162.3178.5-5300110E118 L444 A476 S477E118-M418 VanDerWaalsContact CD-SD 3.54Å; E118-M418 WeakPolarHBondContact OE2-CE 3.44Å; M418-L444 HydrophobicContact CE-CD1 3.37Å; M418-L444 HydrophobicContact CG-CD1 4.03Å; M418-L444 HydrophobicContact SD-CD1 3.51Å; M418-L444 VanDerWaalsContact SD-CD1 3.51Å; M418-A476 CarbonylContact O-C 3.5Å; M418-A476 WeakPolarHBondContact O-CA 3.49Å; M418-S477 WeakPolarHBondContact CB-OG 3.46Å; M418-S477 PolarHBondContact N-O 2.95Å; M418-S477 PolarHBondContact O-N 3.49Å
419V81.9Confident87.9Confident1 Ų136 Ų361%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-151.5148.8-174.966.40000110.7V424 V427 V449 V451 T472 A476V419-V424 HydrophobicContact CG1-CG2 3.75Å; V419-V427 HydrophobicContact CB-CG2 4.05Å; V419-V427 HydrophobicContact CG1-CG2 4.02Å; V419-V427 HydrophobicContact CG2-CG2 3.81Å; V419-V449 PolarHBondContact N-O 2.61Å; V419-V449 PolarHBondContact O-N 2.83Å; V419-V451 HydrophobicContact CG1-CG2 4.07Å; V419-T472 HydrophobicContact CG2-CG2 3.95Å; V419-A476 HydrophobicContact CB-CB 4.22Å; V419-A476 HydrophobicContact CG2-CB 4.12Å
420P75Confident87.7Confident33 Ų3334 Ų3421%0.21419%0.188CC..EExtended strand (participates in β ladder)trans-61.4146.2167.8-20.931.6000111.8D422 Y423 Y447 Y475P420-D422 PolarHBondContact O-N 2.9Å; P420-Y423 HydrophobicContact CB-CD2 4.04Å; P420-Y423 HydrophobicContact CB-CE2 4.5Å; P420-Y423 HydrophobicContact CG-CD2 4.14Å; P420-Y423 PolarHBondContact O-N 2.96Å; P420-Y447 CarbonylContact C-O 3.54Å; P420-Y447 WeakPolarHBondContact CA-O 3.38Å; P420-Y475 HydrophobicContact CG-CG 4.29Å
421N79Confident87.7Confident69 Ų6934 Ų3437%0.36919%0.188SC..G310 helixtrans-50.9-38-176-162.7-0.9000112.6Y423 V424 Y447 V449N421-Y423 PolarHBondContact O-N 2.9Å; N421-Y423 VanDerWaalsContact O-N 3.15Å; N421-V424 WeakPolarHBondContact O-CG2 3.28Å; N421-V424 PolarHBondContact O-N 3.4Å; N421-Y447 PolarHBondContact N-O 3.23Å; N421-V449 HydrophobicContact CB-CG2 4.02Å
422D82.5Confident87.6Confident150 Ų15039.2 Ų39.280%0.80221%0.212SC*.G310 helixtrans-60-24.8178.6-68.7-21.3000114.6P420P420-D422 PolarHBondContact O-N 2.9Å
423Y86.5Confident87.5Confident46 Ų4643.9 Ų43.918%0.1823%0.229CC..G310 helixtrans-1091.5-175.9-56.2-77.3000113.7P420 N421 G425 A426 V427 K473 Y475P420-Y423 HydrophobicContact CB-CD2 4.04Å; P420-Y423 HydrophobicContact CB-CE2 4.5Å; P420-Y423 HydrophobicContact CG-CD2 4.14Å; P420-Y423 PolarHBondContact O-N 2.96Å; N421-Y423 PolarHBondContact O-N 2.9Å; N421-Y423 VanDerWaalsContact O-N 3.15Å; Y423-G425 VanDerWaalsContact C-N 3.26Å; Y423-G425 PolarHBondContact O-N 2.66Å; Y423-A426 WeakPolarHBondContact O-CB 3.37Å; Y423-A426 PolarHBondContact O-N 3Å; Y423-V427 PolarHBondContact O-N 2.79Å; Y423-K473 HydrophobicContact CE1-CD 4.42Å; Y423-K473 HydrophobicContact CE1-CG 4.43Å; Y423-K473 PolarHBondContact OH-NZ 3.03Å; Y423-Y475 AromaticContact CE2-CD2 3.83Å; Y423-Y475 HydrophobicContact CE2-CD2 3.83Å; Y423-Y475 HydrophobicContact CE2-CE2 4.47Å
424V89.5Confident87.4Confident11 Ų1144.3 Ų44.37%0.06723%0.231CC..Hα-helixtrans-54.4-42.2179.5170.90000111.8V419 N421 A426 V427 M428 M441 V449 V451V419-V424 HydrophobicContact CG1-CG2 3.75Å; N421-V424 WeakPolarHBondContact O-CG2 3.28Å; N421-V424 PolarHBondContact O-N 3.4Å; V424-A426 VanDerWaalsContact C-N 3.31Å; V424-A426 PolarHBondContact O-N 2.98Å; V424-V427 PolarHBondContact O-N 2.83Å; V424-M428 HydrophobicContact CG1-CG 4.22Å; V424-M428 HydrophobicContact CG1-SD 4.05Å; V424-M428 WeakPolarHBondContact O-CG 3.12Å; V424-M428 PolarHBondContact O-N 3.02Å; V424-M441 HydrophobicContact CG1-CE 3.31Å; V424-M441 HydrophobicContact CG1-SD 4.03Å; V424-V449 HydrophobicContact CG2-CB 3.75Å; V424-V449 HydrophobicContact CG2-CG1 4.03Å; V424-V449 HydrophobicContact CG2-CG2 3.87Å; V424-V451 HydrophobicContact CG1-CG2 4.29Å; V424-V451 HydrophobicContact CG2-CG2 4.5Å
425G92.1Very high87.5Confident50 Ų5042.7 Ų42.752%0.51522%0.223SC..Hα-helixtrans-59.1-40.6178.700000113.3Y423 M428 E429Y423-G425 VanDerWaalsContact C-N 3.26Å; Y423-G425 PolarHBondContact O-N 2.66Å; G425-M428 PolarHBondContact O-N 3.44Å; G425-E429 PolarHBondContact O-N 3.05Å
426A91.4Very high87.7Confident33 Ų3343.2 Ų43.227%0.27323%0.228SC..Hα-helixtrans-67.9-40.3177.800000111.8Y423 V424 E429 L430Y423-A426 WeakPolarHBondContact O-CB 3.37Å; Y423-A426 PolarHBondContact O-N 3Å; V424-A426 VanDerWaalsContact C-N 3.31Å; V424-A426 PolarHBondContact O-N 2.98Å; A426-E429 PolarHBondContact O-N 3.06Å; A426-L430 WeakPolarHBondContact O-CB 3.29Å; A426-L430 PolarHBondContact O-N 2.82Å
427V90.2Very high88.1Confident0 Ų046.6 Ų46.60%024%0.244CC..Hα-helixtrans-63.4-43.6175.6172.80000111.5I417 V419 Y423 V424 L430 S431 V451 L468 T472I417-V427 HydrophobicContact CB-CG1 4.03Å; I417-V427 HydrophobicContact CD1-CG1 3.76Å; I417-V427 HydrophobicContact CG1-CG1 4.5Å; I417-V427 HydrophobicContact CG2-CG1 3.59Å; I417-V427 HydrophobicContact CG2-CG2 4.22Å; V419-V427 HydrophobicContact CB-CG2 4.05Å; V419-V427 HydrophobicContact CG1-CG2 4.02Å; V419-V427 HydrophobicContact CG2-CG2 3.81Å; Y423-V427 PolarHBondContact O-N 2.79Å; V424-V427 PolarHBondContact O-N 2.83Å; V427-L430 PolarHBondContact O-N 3.42Å; V427-S431 WeakPolarHBondContact O-CB 3.39Å; V427-S431 PolarHBondContact O-N 2.81Å; V427-S431 PolarHBondContact O-OG 2.82Å; V427-V451 HydrophobicContact CG1-CB 4.48Å; V427-L468 HydrophobicContact CG1-CD1 4.48Å; V427-L468 HydrophobicContact CG2-CD1 3.81Å; V427-T472 HydrophobicContact CG2-CG2 3.78Å
428M93.6Very high88.6Confident51 Ų5151.3 Ų51.325%0.25126%0.264SS..Hα-helixtrans-64.4-44.8177.9-68.7-175.377.800111.9V424 G425 S431 Q432 F438 M441 V451V424-M428 HydrophobicContact CG1-CG 4.22Å; V424-M428 HydrophobicContact CG1-SD 4.05Å; V424-M428 WeakPolarHBondContact O-CG 3.12Å; V424-M428 PolarHBondContact O-N 3.02Å; G425-M428 PolarHBondContact O-N 3.44Å; M428-S431 PolarHBondContact O-N 2.91Å; M428-Q432 WeakPolarHBondContact O-CB 3.42Å; M428-Q432 VanDerWaalsContact O-CG 3.28Å; M428-Q432 WeakPolarHBondContact O-CG 3.44Å; M428-Q432 PolarHBondContact O-N 2.78Å; M428-F438 HydrophobicContact CE-CD2 4.46Å; M428-M441 HydrophobicContact CE-CE 4.46Å; M428-M441 HydrophobicContact CG-CE 4.4Å; M428-M441 HydrophobicContact SD-CE 3.67Å; M428-V451 HydrophobicContact CG-CG1 4.49Å
429E93.2Very high89.4Confident135 Ų13554 Ų5463%0.63128%0.278SS*.Hα-helixtrans-61.2-45176.9-175.3179.7174.200111.5G425 A426 R433G425-E429 PolarHBondContact O-N 3.05Å; A426-E429 PolarHBondContact O-N 3.06Å; E429-R433 WeakPolarHBondContact O-CB 3.4Å; E429-R433 PolarHBondContact O-N 2.74Å
430L92.4Very high90Very high4 Ų456.4 Ų56.42%0.02129%0.293CS..Hα-helixtrans-60.5-49.8176.3176.961.7000111.5A426 V427 Q432 R433 K434 F464 K467 L468A426-L430 WeakPolarHBondContact O-CB 3.29Å; A426-L430 PolarHBondContact O-N 2.82Å; V427-L430 PolarHBondContact O-N 3.42Å; L430-Q432 PolarHBondContact O-N 2.69Å; L430-R433 PolarHBondContact O-N 2.71Å; L430-K434 HydrophobicContact CD1-CG 4.23Å; L430-K434 WeakPolarHBondContact O-CB 2.86Å; L430-K434 VanDerWaalsContact O-CG 3.26Å; L430-K434 WeakPolarHBondContact O-CG 3.39Å; L430-K434 PolarHBondContact O-N 2.85Å; L430-K434 VanDerWaalsContact O-N 3.08Å; L430-F464 HydrophobicContact CD2-CE2 4.46Å; L430-F464 HydrophobicContact CD2-CZ 4.4Å; L430-F464 HydrophobicContact CG-CE2 4.15Å; L430-F464 HydrophobicContact CG-CZ 4.48Å; L430-K467 HydrophobicContact CD1-CB 3.74Å; L430-K467 HydrophobicContact CD1-CD 3.82Å; L430-K467 HydrophobicContact CD1-CG 4.46Å; L430-K467 HydrophobicContact CD2-CB 3.98Å; L430-L468 HydrophobicContact CD2-CB 3.88Å; L430-L468 HydrophobicContact CD2-CD1 4.22Å
431S92.7Very high90.8Very high0 Ų057 Ų570%029%0.293CS..Hα-helixtrans-62.2-44.2-177.8-57.40000111.4V427 M428 K434 R435 G436V427-S431 WeakPolarHBondContact O-CB 3.39Å; V427-S431 PolarHBondContact O-N 2.81Å; V427-S431 PolarHBondContact O-OG 2.82Å; M428-S431 PolarHBondContact O-N 2.91Å; S431-K434 CarbonylContact O-C 3.6Å; S431-K434 WeakPolarHBondContact O-CA 3.32Å; S431-K434 PolarHBondContact O-N 3.06Å; S431-K434 VanDerWaalsContact O-N 3.12Å; S431-R435 PolarHBondContact O-N 3.45Å; S431-G436 WeakPolarHBondContact O-CA 3.17Å; S431-G436 PolarHBondContact O-N 2.87Å
432Q91.4Very high91.2Very high113 Ų11357.1 Ų57.153%0.52829%0.294SS..Hα-helixtrans-64.4-43177-72.8174.117.700112.5M428 L430 K434 R435 Y453M428-Q432 WeakPolarHBondContact O-CB 3.42Å; M428-Q432 VanDerWaalsContact O-CG 3.28Å; M428-Q432 WeakPolarHBondContact O-CG 3.44Å; M428-Q432 PolarHBondContact O-N 2.78Å; L430-Q432 PolarHBondContact O-N 2.69Å; Q432-K434 PolarHBondContact O-N 3.16Å; Q432-R435 PolarHBondContact O-N 3.45Å; Q432-Y453 HydrophobicContact CG-CE1 4.4Å
433R89.9Confident91.2Very high108 Ų10856.7 Ų56.741%0.40828%0.282SS..Hα-helixtrans-60-28.1174.9-179.4171.855.7173.1-5.4112.1E429 L430 R435 F513E429-R433 WeakPolarHBondContact O-CB 3.4Å; E429-R433 PolarHBondContact O-N 2.74Å; L430-R433 PolarHBondContact O-N 2.71Å; R433-R435 VanDerWaalsContact C-N 3.32Å; R433-F513 WeakPolarHBondContact O-CZ 3.16Å
434K89.2Confident90.4Very high8 Ų858.4 Ų58.44%0.03529%0.294CS..THydrogen-bonded Turntrans-94.122.6177.9-66.4-74-166.1168.30112.9L430 S431 Q432 G436 E459 F462 F464L430-K434 HydrophobicContact CD1-CG 4.23Å; L430-K434 WeakPolarHBondContact O-CB 2.86Å; L430-K434 VanDerWaalsContact O-CG 3.26Å; L430-K434 WeakPolarHBondContact O-CG 3.39Å; L430-K434 PolarHBondContact O-N 2.85Å; L430-K434 VanDerWaalsContact O-N 3.08Å; S431-K434 CarbonylContact O-C 3.6Å; S431-K434 WeakPolarHBondContact O-CA 3.32Å; S431-K434 PolarHBondContact O-N 3.06Å; S431-K434 VanDerWaalsContact O-N 3.12Å; Q432-K434 PolarHBondContact O-N 3.16Å; K434-G436 PolarHBondContact O-N 2.85Å; K434-E459 HydrophobicContact CB-CB 4.15Å; K434-E459 HydrophobicContact CD-CB 4.2Å; K434-E459 WeakPolarHBondContact O-CB 3.14Å; K434-E459 WeakPolarHBondContact O-CG 3.46Å; K434-F462 PolarHBondContact NZ-O 2.83Å; K434-F464 HydrophobicContact CB-CD2 4.02Å; K434-F464 HydrophobicContact CB-CE2 4.06Å; K434-F464 HydrophobicContact CD-CD2 4.39Å; K434-F464 HydrophobicContact CG-CD2 3.77Å; K434-F464 HydrophobicContact CG-CE2 4.11Å
435R92.1Very high89.5Confident37 Ų3759.9 Ų59.914%0.1430%0.301CS..THydrogen-bonded Turntrans62.524.3177.8-52.2-177.1-69.3125.6-7.9114.3E410 S431 Q432 R433 P456 S458 E459 F513E410-R435 VanDerWaalsContact CD-NH2 3.33Å; E410-R435 IonicContact OE1-CZ 4Å; E410-R435 IonicContact OE1-NH1 2.64Å; E410-R435 PolarHBondContact OE1-NH1 3.17Å; E410-R435 IonicContact OE1-NH2 3.91Å; E410-R435 PolarHBondContact OE1-NH2 2.95Å; E410-R435 IonicContact OE2-NH2 2.89Å; E410-R435 PolarHBondContact OE2-NH2 3.45Å; S431-R435 PolarHBondContact O-N 3.45Å; Q432-R435 PolarHBondContact O-N 3.45Å; R433-R435 VanDerWaalsContact C-N 3.32Å; R435-P456 HydrophobicContact CB-CG 4.05Å; R435-P456 VanDerWaalsContact NH1-CG 3.27Å; R435-S458 PolarHBondContact NH2-OG 3.34Å; R435-E459 IonicContact CZ-OE1 3.7Å; R435-E459 IonicContact NE-OE1 3.79Å; R435-E459 PolarHBondContact NE-OE1 2.89Å; R435-E459 IonicContact NH2-OE1 3.79Å; R435-E459 PolarHBondContact NH2-OE1 2.9Å; R435-F513 HydrophobicContact CG-CD2 4.42Å; R435-F513 HydrophobicContact CG-CE2 3.51Å; R435-F513 HydrophobicContact CG-CZ 4.18Å
436G92.1Very high88.5Confident11 Ų1164.3 Ų64.311%0.11331%0.313CS..PPolyproline II helixtrans-69.813017500000112.2S431 K434 Y453 N454S431-G436 WeakPolarHBondContact O-CA 3.17Å; S431-G436 PolarHBondContact O-N 2.87Å; K434-G436 PolarHBondContact O-N 2.85Å; G436-Y453 VanDerWaalsContact C-CD1 3.49Å; G436-N454 CarbonylContact C-O 3.43Å; G436-N454 VanDerWaalsContact CA-O 3.32Å; G436-N454 WeakPolarHBondContact CA-O 3.29Å
437E93.7Very high87.4Confident101 Ų10171.4 Ų71.447%0.47233%0.334SS..EExtended strand (participates in β ladder)trans-90.6117.4167.7-64.2176.3179.900109.7I439 Y453 N454 R486E437-I439 PolarHBondContact O-N 2.84Å; E437-Y453 CarbonylContact O-C 3.54Å; E437-Y453 VanDerWaalsContact O-CA 3.29Å; E437-Y453 WeakPolarHBondContact O-CA 3.29Å; E437-Y453 WeakPolarHBondContact O-CD1 3.49Å; E437-N454 HydrophobicContact CB-CB 4.3Å; E437-N454 PolarHBondContact N-O 3.43Å; E437-N454 PolarHBondContact O-N 2.9Å; E437-R486 IonicContact OE1-NH1 3.06Å; E437-R486 IonicContact OE2-CZ 3.37Å; E437-R486 IonicContact OE2-NH1 2.79Å; E437-R486 PolarHBondContact OE2-NH1 2.96Å
438F95.4Very high86.6Confident99 Ų9973 Ų7343%0.43434%0.34SS..EExtended strand (participates in β ladder)trans-65.5130.4178.6176.6-101.1000110.9M428 T440 M441 V451 Y453M428-F438 HydrophobicContact CE-CD2 4.46Å; F438-T440 VanDerWaalsContact CE2-O 3.29Å; F438-T440 WeakPolarHBondContact CE2-O 3.15Å; F438-M441 HydrophobicContact CE2-CB 3.97Å; F438-M441 HydrophobicContact CE2-CE 4.34Å; F438-M441 HydrophobicContact CZ-CB 3.78Å; F438-V451 HydrophobicContact CD2-CG1 4.41Å; F438-V451 HydrophobicContact CE2-CG1 4.15Å; F438-Y453 VanDerWaalsContact CA-CE1 3.49Å; F438-Y453 HydrophobicContact CB-CD1 4.18Å; F438-Y453 HydrophobicContact CB-CE1 3.61Å; F438-Y453 HydrophobicContact CD2-CD2 4.41Å; F438-Y453 HydrophobicContact CD2-CE1 4.34Å; F438-Y453 AromaticContact CD2-CE2 3.8Å; F438-Y453 HydrophobicContact CD2-CE2 3.8Å; F438-Y453 AromaticContact CD2-CZ 3.73Å; F438-Y453 HydrophobicContact CG-CE1 4.5Å
439I93.7Very high86.1Confident75 Ų7570.6 Ų70.639%0.38533%0.328SS..EExtended strand (participates in β ladder)trans-102.9-64.5176.7-53.5-178000110.2K414 E437 V452 N454K414-I439 HydrophobicContact CG-CD1 3.91Å; E437-I439 PolarHBondContact O-N 2.84Å; I439-V452 HydrophobicContact CB-CB 4.32Å; I439-V452 HydrophobicContact CB-CG1 4.18Å; I439-V452 HydrophobicContact CD1-CG1 3.95Å; I439-V452 HydrophobicContact CG1-CG1 4.47Å; I439-V452 PolarHBondContact N-O 3.37Å; I439-N454 HydrophobicContact CD1-CB 4.36Å; I439-N454 VanDerWaalsContact CD1-CG 3.46Å; I439-N454 WeakPolarHBondContact CD1-ND2 3.29Å; I439-N454 WeakPolarHBondContact CD1-OD1 3.35Å
440T93.6Very high85.7Confident50 Ų5065.4 Ų65.431%0.30731%0.305SS..EExtended strand (participates in β ladder)trans-153.5166.6-177.6-169.10000110.9F438 D442 V452F438-T440 VanDerWaalsContact CE2-O 3.29Å; F438-T440 WeakPolarHBondContact CE2-O 3.15Å; T440-D442 WeakPolarHBondContact CG2-OD2 3.32Å; T440-D442 PolarHBondContact OG1-OD1 3.42Å; T440-V452 HydrophobicContact CG2-CB 3.9Å; T440-V452 HydrophobicContact CG2-CG2 3.77Å; T440-V452 PolarHBondContact N-O 2.73Å; T440-V452 PolarHBondContact O-N 3.38Å
441M91.9Very high85.6Confident45 Ų4565.2 Ų65.222%0.22230%0.304CS..EExtended strand (participates in β ladder)trans-134.2116.2172.4-178.7179.8-66.700108V424 M428 F438 Y443 V449 N450 V451V424-M441 HydrophobicContact CG1-CE 3.31Å; V424-M441 HydrophobicContact CG1-SD 4.03Å; M428-M441 HydrophobicContact CE-CE 4.46Å; M428-M441 HydrophobicContact CG-CE 4.4Å; M428-M441 HydrophobicContact SD-CE 3.67Å; F438-M441 HydrophobicContact CE2-CB 3.97Å; F438-M441 HydrophobicContact CE2-CE 4.34Å; F438-M441 HydrophobicContact CZ-CB 3.78Å; M441-Y443 HydrophobicContact CG-CE2 4.4Å; M441-Y443 HydrophobicContact SD-CE2 4.25Å; M441-V449 HydrophobicContact CG-CG1 3.23Å; M441-V449 HydrophobicContact SD-CG1 3.74Å; M441-N450 CarbonylContact C-O 3.39Å; M441-N450 WeakPolarHBondContact CA-O 3.42Å; M441-V451 HydrophobicContact CE-CG1 4.2Å; M441-V451 HydrophobicContact CE-CG2 4.17Å; M441-V451 HydrophobicContact CG-CG2 4.48Å
442D87.4Confident85.6Confident72 Ų7265.4 Ų65.439%0.38531%0.305SS..EExtended strand (participates in β ladder)trans-112.2120.1-176-53.5-42.2000108.7T440 L444 N450T440-D442 WeakPolarHBondContact CG2-OD2 3.32Å; T440-D442 PolarHBondContact OG1-OD1 3.42Å; D442-L444 PolarHBondContact O-N 3.49Å; D442-N450 PolarHBondContact N-O 2.64Å; D442-N450 PolarHBondContact O-N 2.88Å
443Y83Confident85.8Confident142 Ų14260 Ų6056%0.55728%0.28SS*.EExtended strand (participates in β ladder)trans-79.8113.9174.9-73.2-94.3000108.4M441 V449M441-Y443 HydrophobicContact CG-CE2 4.4Å; M441-Y443 HydrophobicContact SD-CE2 4.25Å; Y443-V449 HydrophobicContact CD1-CG2 3.65Å; Y443-V449 HydrophobicContact CE1-CG2 3.55Å; Y443-V449 HydrophobicContact CG-CG2 4.48Å
444L70.1Confident86Confident81 Ų8156.1 Ų56.142%0.42427%0.267SS..  trans-80.1-39.2178.6-61.7173.7000110.5M418 D442 R448 N450M418-L444 HydrophobicContact CE-CD1 3.37Å; M418-L444 HydrophobicContact CG-CD1 4.03Å; M418-L444 HydrophobicContact SD-CD1 3.51Å; M418-L444 VanDerWaalsContact SD-CD1 3.51Å; D442-L444 PolarHBondContact O-N 3.49Å; L444-R448 PolarHBondContact N-O 3.37Å; L444-R448 VanDerWaalsContact N-O 3.08Å; L444-N450 HydrophobicContact CD1-CB 4.26Å; L444-N450 HydrophobicContact CG-CB 4.37Å
445D69.7Low86.2Confident42 Ų4255.7 Ų55.723%0.22527%0.265CS..SBendtrans-153.9-172.5173.559.449.7000110.4Y447 R448D445-Y447 PolarHBondContact O-N 3.08Å; D445-Y447 VanDerWaalsContact O-N 3.14Å; D445-Y447 VanDerWaalsContact OD1-CA 3.31Å; D445-Y447 WeakPolarHBondContact OD1-CA 3.36Å; D445-Y447 WeakPolarHBondContact OD1-CB 3.29Å; D445-Y447 PolarHBondContact OD1-N 2.64Å; D445-R448 PolarHBondContact N-O 2.95Å; D445-R448 PolarHBondContact OD1-N 2.68Å; D445-R448 IonicContact OD2-CZ 2.72Å; D445-R448 VanDerWaalsContact OD2-CZ 3.25Å; D445-R448 IonicContact OD2-NE 2.66Å; D445-R448 PolarHBondContact OD2-NE 3.1Å; D445-R448 IonicContact OD2-NH2 3.79Å; D445-R448 PolarHBondContact OD2-NH2 2.76Å
446D71.4Confident86.2Confident144 Ų14454 Ų5477%0.7726%0.259SS*.SBendtrans-62.6-17.7179.8-72.3-27.2000113.6
447Y68.8Low86.1Confident181 Ų18153.4 Ų53.471%0.7125%0.253SS*.SBendtrans-114.6-30.5-171.9-58-79000113.6P420 N421 D445P420-Y447 CarbonylContact C-O 3.54Å; P420-Y447 WeakPolarHBondContact CA-O 3.38Å; N421-Y447 PolarHBondContact N-O 3.23Å; D445-Y447 PolarHBondContact O-N 3.08Å; D445-Y447 VanDerWaalsContact O-N 3.14Å; D445-Y447 VanDerWaalsContact OD1-CA 3.31Å; D445-Y447 WeakPolarHBondContact OD1-CA 3.36Å; D445-Y447 WeakPolarHBondContact OD1-CB 3.29Å; D445-Y447 PolarHBondContact OD1-N 2.64Å
448R73.2Confident85.8Confident34 Ų3449.4 Ų49.413%0.12824%0.236CC..EExtended strand (participates in β ladder)trans-115.5139.2-173.1-68.8-178.4-62.1161.13.3112.5Q115 E118 L444 D445Q115-R448 PolarHBondContact O-NH1 3.09Å; Q115-R448 PolarHBondContact O-NH2 2.79Å; E118-R448 IonicContact OE1-NH1 2.95Å; E118-R448 PolarHBondContact OE1-NH1 3.29Å; L444-R448 PolarHBondContact N-O 3.37Å; L444-R448 VanDerWaalsContact N-O 3.08Å; D445-R448 PolarHBondContact N-O 2.95Å; D445-R448 PolarHBondContact OD1-N 2.68Å; D445-R448 IonicContact OD2-CZ 2.72Å; D445-R448 VanDerWaalsContact OD2-CZ 3.25Å; D445-R448 IonicContact OD2-NE 2.66Å; D445-R448 PolarHBondContact OD2-NE 3.1Å; D445-R448 IonicContact OD2-NH2 3.79Å; D445-R448 PolarHBondContact OD2-NH2 2.76Å
449V82.7Confident85.4Confident0 Ų044.7 Ų44.70%022%0.216CC..EExtended strand (participates in β ladder)trans-130.1128-177.2-173.80000108.1V419 N421 V424 M441 Y443 V451V419-V449 PolarHBondContact N-O 2.61Å; V419-V449 PolarHBondContact O-N 2.83Å; N421-V449 HydrophobicContact CB-CG2 4.02Å; V424-V449 HydrophobicContact CG2-CB 3.75Å; V424-V449 HydrophobicContact CG2-CG1 4.03Å; V424-V449 HydrophobicContact CG2-CG2 3.87Å; M441-V449 HydrophobicContact CG-CG1 3.23Å; M441-V449 HydrophobicContact SD-CG1 3.74Å; Y443-V449 HydrophobicContact CD1-CG2 3.65Å; Y443-V449 HydrophobicContact CE1-CG2 3.55Å; Y443-V449 HydrophobicContact CG-CG2 4.48Å; V449-V451 HydrophobicContact CG1-CG2 4.02Å
450N85.6Confident85Confident26 Ų2641.4 Ų41.414%0.13920%0.199CC..EExtended strand (participates in β ladder)trans-91.7120.3167.7-175.733.4000109.2M441 D442 L444M441-N450 CarbonylContact C-O 3.39Å; M441-N450 WeakPolarHBondContact CA-O 3.42Å; D442-N450 PolarHBondContact N-O 2.64Å; D442-N450 PolarHBondContact O-N 2.88Å; L444-N450 HydrophobicContact CD1-CB 4.26Å; L444-N450 HydrophobicContact CG-CB 4.37Å
451V90.7Very high84.3Confident0 Ų039.5 Ų39.50%019%0.187CC..EExtended strand (participates in β ladder)trans-110.4116.4-179-166.30000108.6I417 V419 V424 V427 M428 F438 M441 V449 Y453I417-V451 PolarHBondContact N-O 2.7Å; I417-V451 PolarHBondContact O-N 2.7Å; V419-V451 HydrophobicContact CG1-CG2 4.07Å; V424-V451 HydrophobicContact CG1-CG2 4.29Å; V424-V451 HydrophobicContact CG2-CG2 4.5Å; V427-V451 HydrophobicContact CG1-CB 4.48Å; M428-V451 HydrophobicContact CG-CG1 4.49Å; F438-V451 HydrophobicContact CD2-CG1 4.41Å; F438-V451 HydrophobicContact CE2-CG1 4.15Å; M441-V451 HydrophobicContact CE-CG1 4.2Å; M441-V451 HydrophobicContact CE-CG2 4.17Å; M441-V451 HydrophobicContact CG-CG2 4.48Å; V449-V451 HydrophobicContact CG1-CG2 4.02Å; V451-Y453 HydrophobicContact CG1-CD2 3.83Å; V451-Y453 HydrophobicContact CG1-CE2 3.45Å; V451-Y453 VanDerWaalsContact CG1-CE2 3.45Å
452V92.2Very high83.4Confident5 Ų539.6 Ų39.63%0.0319%0.186CC..EExtended strand (participates in β ladder)trans-104.9125.4-173.4-169.90000110.5K414 A415 I439 T440K414-V452 HydrophobicContact CD-CG1 4.29Å; K414-V452 HydrophobicContact CG-CG1 3.8Å; A415-V452 WeakPolarHBondContact O-CA 3.47Å; I439-V452 HydrophobicContact CB-CB 4.32Å; I439-V452 HydrophobicContact CB-CG1 4.18Å; I439-V452 HydrophobicContact CD1-CG1 3.95Å; I439-V452 HydrophobicContact CG1-CG1 4.47Å; I439-V452 PolarHBondContact N-O 3.37Å; T440-V452 HydrophobicContact CG2-CB 3.9Å; T440-V452 HydrophobicContact CG2-CG2 3.77Å; T440-V452 PolarHBondContact N-O 2.73Å; T440-V452 PolarHBondContact O-N 3.38Å
453Y94.5Very high82.7Confident0 Ų037.7 Ų37.70%018%0.176CC..EExtended strand (participates in β ladder)trans-130.7146.5178.9-85.3-95.5000111.4K414 A415 Q432 G436 E437 F438 V451K414-Y453 CarbonylContact C-O 3.59Å; K414-Y453 WeakPolarHBondContact CA-O 3.38Å; A415-Y453 PolarHBondContact N-O 3.06Å; A415-Y453 PolarHBondContact O-N 2.64Å; Q432-Y453 HydrophobicContact CG-CE1 4.4Å; G436-Y453 VanDerWaalsContact C-CD1 3.49Å; E437-Y453 CarbonylContact O-C 3.54Å; E437-Y453 VanDerWaalsContact O-CA 3.29Å; E437-Y453 WeakPolarHBondContact O-CA 3.29Å; E437-Y453 WeakPolarHBondContact O-CD1 3.49Å; F438-Y453 VanDerWaalsContact CA-CE1 3.49Å; F438-Y453 HydrophobicContact CB-CD1 4.18Å; F438-Y453 HydrophobicContact CB-CE1 3.61Å; F438-Y453 HydrophobicContact CD2-CD2 4.41Å; F438-Y453 HydrophobicContact CD2-CE1 4.34Å; F438-Y453 AromaticContact CD2-CE2 3.8Å; F438-Y453 HydrophobicContact CD2-CE2 3.8Å; F438-Y453 AromaticContact CD2-CZ 3.73Å; F438-Y453 HydrophobicContact CG-CE1 4.5Å; V451-Y453 HydrophobicContact CG1-CD2 3.83Å; V451-Y453 HydrophobicContact CG1-CE2 3.45Å; V451-Y453 VanDerWaalsContact CG1-CE2 3.45Å
454N94.4Very high82.6Confident25 Ų2530.9 Ų30.913%0.13415%0.149CC..EExtended strand (participates in β ladder)trans-88115.7157.8-75.5-37.3000108.2F412 V413 G436 E437 I439 R486F412-N454 HydrophobicContact CD1-CB 4.29Å; V413-N454 CarbonylContact O-C 3.59Å; V413-N454 WeakPolarHBondContact O-CA 3.46Å; G436-N454 CarbonylContact C-O 3.43Å; G436-N454 VanDerWaalsContact CA-O 3.32Å; G436-N454 WeakPolarHBondContact CA-O 3.29Å; E437-N454 HydrophobicContact CB-CB 4.3Å; E437-N454 PolarHBondContact N-O 3.43Å; E437-N454 PolarHBondContact O-N 2.9Å; I439-N454 HydrophobicContact CD1-CB 4.36Å; I439-N454 VanDerWaalsContact CD1-CG 3.46Å; I439-N454 WeakPolarHBondContact CD1-ND2 3.29Å; I439-N454 WeakPolarHBondContact CD1-OD1 3.35Å; N454-R486 PolarHBondContact ND2-NH2 3.42Å; N454-R486 VanDerWaalsContact ND2-NH2 3.15Å
455I93.4Very high82.7Confident0 Ų031.1 Ų31.10%015%0.147CC..EExtended strand (participates in β ladder)trans-123.4137.9-178-50.4-174.3000108.5V413 A415 L457 E459 I460 F464V413-I455 PolarHBondContact N-O 2.93Å; V413-I455 PolarHBondContact O-N 2.84Å; A415-I455 HydrophobicContact CB-CD1 3.98Å; A415-I455 HydrophobicContact CB-CG1 4.17Å; I455-L457 PolarHBondContact O-N 2.76Å; I455-E459 HydrophobicContact CG2-CB 4.25Å; I455-I460 HydrophobicContact CB-CD1 4.1Å; I455-I460 HydrophobicContact CB-CG1 4.17Å; I455-I460 HydrophobicContact CG2-CD1 4.26Å; I455-I460 HydrophobicContact CG2-CG1 3.76Å; I455-F464 HydrophobicContact CD1-CE2 3.77Å; I455-F464 HydrophobicContact CD1-CZ 3.76Å
456P92.8Very high82.8Confident0 Ų034.1 Ų34.10%016%0.163CC..EExtended strand (participates in β ladder)trans-59.7130.9170.3-1017.8000110.6E410 F412 R435 S458 E459 I460E410-P456 HydrophobicContact CG-CB 4.33Å; F412-P456 HydrophobicContact CD1-CG 4.4Å; F412-P456 HydrophobicContact CE1-CB 4.42Å; F412-P456 HydrophobicContact CE1-CG 3.77Å; F412-P456 HydrophobicContact CE2-CB 4.19Å; F412-P456 HydrophobicContact CE2-CG 4.17Å; F412-P456 HydrophobicContact CZ-CB 4.17Å; F412-P456 HydrophobicContact CZ-CG 3.64Å; R435-P456 HydrophobicContact CB-CG 4.05Å; R435-P456 VanDerWaalsContact NH1-CG 3.27Å; P456-S458 PolarHBondContact O-N 2.68Å; P456-S458 VanDerWaalsContact O-N 3.16Å; P456-E459 HydrophobicContact CB-CG 4.14Å; P456-E459 HydrophobicContact CG-CG 4.04Å; P456-E459 WeakPolarHBondContact O-CB 3.33Å; P456-E459 PolarHBondContact O-N 3.15Å; P456-I460 PolarHBondContact O-N 3.07Å
457L89.3Confident83.3Confident0 Ų028.3 Ų28.30%013%0.131CC..Hα-helixtrans-58.7-32.7179.2-174.859.9000111.5M303 V379 P411 V413 I455 E459 I460 V461 Y480 M482M303-L457 HydrophobicContact CB-CD2 4.13Å; V379-L457 HydrophobicContact CG1-CB 4.08Å; V379-L457 HydrophobicContact CG1-CD2 3.84Å; V379-L457 HydrophobicContact CG1-CG 3.7Å; P411-L457 HydrophobicContact CB-CB 4.38Å; P411-L457 HydrophobicContact CG-CB 4.07Å; P411-L457 HydrophobicContact CG-CD2 4.27Å; P411-L457 PolarHBondContact O-N 3.16Å; V413-L457 HydrophobicContact CG1-CB 4.07Å; V413-L457 HydrophobicContact CG1-CD1 3.95Å; V413-L457 HydrophobicContact CG1-CG 4.41Å; I455-L457 PolarHBondContact O-N 2.76Å; L457-E459 PolarHBondContact O-N 2.89Å; L457-E459 VanDerWaalsContact O-N 3.17Å; L457-I460 PolarHBondContact O-N 3.19Å; L457-I460 VanDerWaalsContact O-N 3.12Å; L457-V461 HydrophobicContact CD1-CG2 3.85Å; L457-V461 HydrophobicContact CG-CG2 3.87Å; L457-V461 WeakPolarHBondContact O-CB 3.26Å; L457-V461 WeakPolarHBondContact O-CG2 3.08Å; L457-V461 PolarHBondContact O-N 3.47Å; L457-Y480 HydrophobicContact CD1-CE2 3.96Å; L457-M482 HydrophobicContact CD2-SD 4.08Å
458S88.3Confident83.8Confident16 Ų1619.7 Ų19.711%0.11210%0.097CC..Hα-helixtrans-59.6-26.7176.767.60000113.3Y381 E410 R435 P456Y381-S458 WeakPolarHBondContact OH-CB 3.25Å; E410-S458 PolarHBondContact OE2-OG 3.26Å; R435-S458 PolarHBondContact NH2-OG 3.34Å; P456-S458 PolarHBondContact O-N 2.68Å; P456-S458 VanDerWaalsContact O-N 3.16Å
459E87.6Confident83.7Confident1 Ų121.3 Ų21.31%0.00511%0.105CC..Hα-helixtrans-87.3-30.8177.8-65.1-67.5169.100112.7K434 R435 I455 P456 L457 R517K434-E459 HydrophobicContact CB-CB 4.15Å; K434-E459 HydrophobicContact CD-CB 4.2Å; K434-E459 WeakPolarHBondContact O-CB 3.14Å; K434-E459 WeakPolarHBondContact O-CG 3.46Å; R435-E459 IonicContact CZ-OE1 3.7Å; R435-E459 IonicContact NE-OE1 3.79Å; R435-E459 PolarHBondContact NE-OE1 2.89Å; R435-E459 IonicContact NH2-OE1 3.79Å; R435-E459 PolarHBondContact NH2-OE1 2.9Å; I455-E459 HydrophobicContact CG2-CB 4.25Å; P456-E459 HydrophobicContact CB-CG 4.14Å; P456-E459 HydrophobicContact CG-CG 4.04Å; P456-E459 WeakPolarHBondContact O-CB 3.33Å; P456-E459 PolarHBondContact O-N 3.15Å; L457-E459 PolarHBondContact O-N 2.89Å; L457-E459 VanDerWaalsContact O-N 3.17Å; E459-R517 IonicContact OE1-CZ 3.4Å; E459-R517 IonicContact OE1-NH1 2.78Å; E459-R517 IonicContact OE1-NH2 2.75Å; E459-R517 PolarHBondContact OE1-NH2 2.86Å; E459-R517 IonicContact OE2-CZ 2.98Å; E459-R517 IonicContact OE2-NH1 2.92Å; E459-R517 IonicContact OE2-NH2 3.52Å; E459-R517 PolarHBondContact OE2-NH2 3.09Å
460I84Confident83.4Confident6 Ų626 Ų263%0.03114%0.138CC..Hα-helixtrans-70.3-48.2175.5-65.5-176.5000110.3V413 A415 I455 P456 L457 F462 F464 L478V413-I460 HydrophobicContact CG2-CD1 3.19Å; V413-I460 HydrophobicContact CG2-CG1 4.49Å; A415-I460 HydrophobicContact CB-CD1 4.45Å; I455-I460 HydrophobicContact CB-CD1 4.1Å; I455-I460 HydrophobicContact CB-CG1 4.17Å; I455-I460 HydrophobicContact CG2-CD1 4.26Å; I455-I460 HydrophobicContact CG2-CG1 3.76Å; P456-I460 PolarHBondContact O-N 3.07Å; L457-I460 PolarHBondContact O-N 3.19Å; L457-I460 VanDerWaalsContact O-N 3.12Å; I460-F462 PolarHBondContact O-N 2.89Å; I460-F462 VanDerWaalsContact O-N 3.16Å; I460-F464 HydrophobicContact CB-CB 4.4Å; I460-F464 HydrophobicContact CG1-CG 4.43Å; I460-F464 HydrophobicContact CG2-CB 4.39Å; I460-F464 WeakPolarHBondContact O-CB 3.31Å; I460-F464 PolarHBondContact O-N 3.06Å; I460-L478 HydrophobicContact CG2-CD2 4.06Å
461V79.1Confident83.2Confident9 Ų926.9 Ų26.96%0.05515%0.146CC..THydrogen-bonded Turntrans-61.2-26.2-178.61720000111.3V304 L354 P377 V379 L457V304-V461 HydrophobicContact CG1-CG1 3.89Å; V304-V461 HydrophobicContact CG1-CG2 4.49Å; V304-V461 HydrophobicContact CG2-CG2 3.67Å; L354-V461 HydrophobicContact CD2-CG1 3.95Å; P377-V461 HydrophobicContact CB-CG1 3.32Å; P377-V461 HydrophobicContact CG-CG1 4.34Å; V379-V461 HydrophobicContact CG1-CG2 4.11Å; L457-V461 HydrophobicContact CD1-CG2 3.85Å; L457-V461 HydrophobicContact CG-CG2 3.87Å; L457-V461 WeakPolarHBondContact O-CB 3.26Å; L457-V461 WeakPolarHBondContact O-CG2 3.08Å; L457-V461 PolarHBondContact O-N 3.47Å
462F72.6Confident82.4Confident47 Ų4726.9 Ų26.921%0.20615%0.146CC..THydrogen-bonded Turntrans-97.492.7176.9-166.2-96.5000111.7K434 I460 F464K434-F462 PolarHBondContact NZ-O 2.83Å; I460-F462 PolarHBondContact O-N 2.89Å; I460-F462 VanDerWaalsContact O-N 3.16Å; F462-F464 PolarHBondContact O-N 3.09Å; F462-F464 VanDerWaalsContact O-N 3.09Å
463D72.7Confident81.4Confident32 Ų3234 Ų3417%0.17118%0.176CC..THydrogen-bonded Turntrans57.127.1167.4-173.641.5000114.8D466 K467 D605D463-D466 WeakPolarHBondContact OD1-CB 3.44Å; D463-K467 VanDerWaalsContact O-CG 3.27Å; D463-K467 WeakPolarHBondContact O-CG 3.38Å; D463-K467 WeakPolarHBondContact OD2-CE 3.47Å; D463-K467 IonicContact OD2-NZ 3.73Å; D463-D605 WeakPolarHBondContact OD2-CB 3.25Å
464F81.3Confident79.7Confident0 Ų035.6 Ų35.60%019%0.194CC..Hα-helixtrans-78.5-46.4175.9-172.1-83.1000111.5I417 L430 K434 I455 I460 F462 K467 L468 L478I417-F464 HydrophobicContact CD1-CE1 4.11Å; I417-F464 HydrophobicContact CD1-CZ 3.83Å; L430-F464 HydrophobicContact CD2-CE2 4.46Å; L430-F464 HydrophobicContact CD2-CZ 4.4Å; L430-F464 HydrophobicContact CG-CE2 4.15Å; L430-F464 HydrophobicContact CG-CZ 4.48Å; K434-F464 HydrophobicContact CB-CD2 4.02Å; K434-F464 HydrophobicContact CB-CE2 4.06Å; K434-F464 HydrophobicContact CD-CD2 4.39Å; K434-F464 HydrophobicContact CG-CD2 3.77Å; K434-F464 HydrophobicContact CG-CE2 4.11Å; I455-F464 HydrophobicContact CD1-CE2 3.77Å; I455-F464 HydrophobicContact CD1-CZ 3.76Å; I460-F464 HydrophobicContact CB-CB 4.4Å; I460-F464 HydrophobicContact CG1-CG 4.43Å; I460-F464 HydrophobicContact CG2-CB 4.39Å; I460-F464 WeakPolarHBondContact O-CB 3.31Å; I460-F464 PolarHBondContact O-N 3.06Å; F462-F464 PolarHBondContact O-N 3.09Å; F462-F464 VanDerWaalsContact O-N 3.09Å; F464-K467 PolarHBondContact O-N 2.88Å; F464-L468 HydrophobicContact CD1-CB 4.48Å; F464-L468 HydrophobicContact CE1-CB 4.43Å; F464-L468 HydrophobicContact CE1-CD2 4.23Å; F464-L468 VanDerWaalsContact O-CB 3.29Å; F464-L468 WeakPolarHBondContact O-CB 3.3Å; F464-L468 PolarHBondContact O-N 2.66Å; F464-L478 HydrophobicContact CD1-CD2 3.73Å; F464-L478 HydrophobicContact CE1-CD1 4.32Å; F464-L478 HydrophobicContact CE1-CD2 3.85Å
465F72.1Confident78.2Confident85 Ų8541.7 Ų41.737%0.37322%0.216SC..Hα-helixtrans-63.2-45.7-175.5-173.5-95.5000112K467 L468 K469F465-K467 PolarHBondContact O-N 3.09Å; F465-L468 WeakPolarHBondContact O-CB 3.47Å; F465-L468 PolarHBondContact O-N 3.42Å; F465-K469 HydrophobicContact CD1-CG 4.19Å; F465-K469 HydrophobicContact CE1-CG 3.85Å; F465-K469 HydrophobicContact CZ-CD 4.39Å; F465-K469 VanDerWaalsContact CZ-CE 3.48Å; F465-K469 HydrophobicContact CZ-CG 4.07Å; F465-K469 WeakPolarHBondContact O-CG 3.36Å; F465-K469 PolarHBondContact O-N 2.85Å
466D71.9Confident76.9Confident106 Ų10641.7 Ų41.757%0.56722%0.216SC*.Hα-helixtrans-64-43.3179.3-66.9-27.5000111.6D463 K469 S470D463-D466 WeakPolarHBondContact OD1-CB 3.44Å; D466-K469 PolarHBondContact O-N 3.23Å; D466-S470 VanDerWaalsContact O-CB 3.26Å; D466-S470 WeakPolarHBondContact O-CB 3.42Å; D466-S470 PolarHBondContact O-N 3.03Å
467K81.2Confident75.5Confident21 Ų2143.3 Ų43.39%0.09123%0.227CC..Hα-helixtrans-64.6-40173.6-71.7-169.2-167-152.60112.9L430 D463 F464 F465 S470 S471 D605L430-K467 HydrophobicContact CD1-CB 3.74Å; L430-K467 HydrophobicContact CD1-CD 3.82Å; L430-K467 HydrophobicContact CD1-CG 4.46Å; L430-K467 HydrophobicContact CD2-CB 3.98Å; D463-K467 VanDerWaalsContact O-CG 3.27Å; D463-K467 WeakPolarHBondContact O-CG 3.38Å; D463-K467 WeakPolarHBondContact OD2-CE 3.47Å; D463-K467 IonicContact OD2-NZ 3.73Å; F464-K467 PolarHBondContact O-N 2.88Å; F465-K467 PolarHBondContact O-N 3.09Å; K467-S470 PolarHBondContact O-N 3.2Å; K467-S471 WeakPolarHBondContact O-CB 3.29Å; K467-S471 PolarHBondContact O-N 2.64Å; K467-S471 PolarHBondContact O-OG 3.28Å; K467-D605 VanDerWaalsContact CE-CB 3.44Å; K467-D605 VanDerWaalsContact NZ-CB 3.32Å; K467-D605 IonicContact NZ-OD2 2.87Å; K467-D605 PolarHBondContact NZ-OD2 3.41Å
468L80.5Confident74.8Confident0 Ų044.3 Ų44.30%023%0.233CC..Hα-helixtrans-59.5-55.3177.3-18067.2000108.9I417 V427 L430 F464 F465 S470 S471 T472 A476 L478I417-L468 HydrophobicContact CG2-CD1 3.91Å; I417-L468 HydrophobicContact CG2-CD2 4.18Å; V427-L468 HydrophobicContact CG1-CD1 4.48Å; V427-L468 HydrophobicContact CG2-CD1 3.81Å; L430-L468 HydrophobicContact CD2-CB 3.88Å; L430-L468 HydrophobicContact CD2-CD1 4.22Å; F464-L468 HydrophobicContact CD1-CB 4.48Å; F464-L468 HydrophobicContact CE1-CB 4.43Å; F464-L468 HydrophobicContact CE1-CD2 4.23Å; F464-L468 VanDerWaalsContact O-CB 3.29Å; F464-L468 WeakPolarHBondContact O-CB 3.3Å; F464-L468 PolarHBondContact O-N 2.66Å; F465-L468 WeakPolarHBondContact O-CB 3.47Å; F465-L468 PolarHBondContact O-N 3.42Å; L468-S470 PolarHBondContact O-N 3Å; L468-S471 PolarHBondContact O-N 2.95Å; L468-S471 PolarHBondContact O-OG 2.98Å; L468-T472 HydrophobicContact CD1-CG2 4.29Å; L468-T472 WeakPolarHBondContact O-CG2 3.4Å; L468-T472 PolarHBondContact O-N 3.06Å; L468-T472 PolarHBondContact O-OG1 2.91Å; L468-T472 VanDerWaalsContact O-OG1 3.09Å; L468-A476 HydrophobicContact CD1-CB 3.77Å; L468-A476 HydrophobicContact CD2-CB 4.07Å; L468-A476 HydrophobicContact CG-CB 3.76Å; L468-L478 HydrophobicContact CD2-CB 3.75Å
469K71.7Confident73.8Confident69 Ų6944.8 Ų44.830%0.323%0.234SC..Hα-helixtrans-58.3-44178.1-70.2-67.3-172.6-172.90112.2F465 D466 T472 K473 G474 A476F465-K469 HydrophobicContact CD1-CG 4.19Å; F465-K469 HydrophobicContact CE1-CG 3.85Å; F465-K469 HydrophobicContact CZ-CD 4.39Å; F465-K469 VanDerWaalsContact CZ-CE 3.48Å; F465-K469 HydrophobicContact CZ-CG 4.07Å; F465-K469 WeakPolarHBondContact O-CG 3.36Å; F465-K469 PolarHBondContact O-N 2.85Å; D466-K469 PolarHBondContact O-N 3.23Å; K469-T472 PolarHBondContact O-N 3.49Å; K469-K473 CarbonylContact O-C 3.52Å; K469-K473 WeakPolarHBondContact O-CA 3.44Å; K469-K473 PolarHBondContact O-N 3.06Å; K469-G474 PolarHBondContact NZ-O 3.2Å; K469-G474 PolarHBondContact O-N 3.35Å; K469-A476 WeakPolarHBondContact CE-O 3.39Å; K469-A476 PolarHBondContact NZ-O 2.77Å
470S76.2Confident73.4Confident98 Ų9846.6 Ų46.669%0.68524%0.241SC*.Hα-helixtrans-62.9-47178-178.30000112.3D466 K467 L468 T472 K473D466-S470 VanDerWaalsContact O-CB 3.26Å; D466-S470 WeakPolarHBondContact O-CB 3.42Å; D466-S470 PolarHBondContact O-N 3.03Å; K467-S470 PolarHBondContact O-N 3.2Å; L468-S470 PolarHBondContact O-N 3Å; S470-T472 VanDerWaalsContact C-N 3.3Å; S470-T472 PolarHBondContact O-N 2.98Å; S470-K473 PolarHBondContact O-N 3.11Å
471S81.5Confident73Confident44 Ų4451.1 Ų51.131%0.30826%0.262SS..Hα-helixtrans-67.5-28-178.3700000113.7K467 L468K467-S471 WeakPolarHBondContact O-CB 3.29Å; K467-S471 PolarHBondContact O-N 2.64Å; K467-S471 PolarHBondContact O-OG 3.28Å; L468-S471 PolarHBondContact O-N 2.95Å; L468-S471 PolarHBondContact O-OG 2.98Å
472T73.9Confident73.1Confident0 Ų054.1 Ų54.10%028%0.276CS..THydrogen-bonded Turntrans-107.813.4-179.473.30000112.9V419 V427 L468 K469 S470 G474 Y475 A476V419-T472 HydrophobicContact CG2-CG2 3.95Å; V427-T472 HydrophobicContact CG2-CG2 3.78Å; L468-T472 HydrophobicContact CD1-CG2 4.29Å; L468-T472 WeakPolarHBondContact O-CG2 3.4Å; L468-T472 PolarHBondContact O-N 3.06Å; L468-T472 PolarHBondContact O-OG1 2.91Å; L468-T472 VanDerWaalsContact O-OG1 3.09Å; K469-T472 PolarHBondContact O-N 3.49Å; S470-T472 VanDerWaalsContact C-N 3.3Å; S470-T472 PolarHBondContact O-N 2.98Å; T472-G474 PolarHBondContact O-N 3.37Å; T472-G474 VanDerWaalsContact O-N 3.08Å; T472-Y475 WeakPolarHBondContact O-CB 3.44Å; T472-Y475 WeakPolarHBondContact O-CD2 3.45Å; T472-Y475 PolarHBondContact O-N 3.08Å; T472-Y475 PolarHBondContact OG1-N 3.33Å; T472-A476 HydrophobicContact CG2-CB 3.66Å; T472-A476 VanDerWaalsContact OG1-CB 3.31Å; T472-A476 WeakPolarHBondContact OG1-CB 3.26Å; T472-A476 PolarHBondContact OG1-N 3.02Å
473K70.3Confident73.8Confident154 Ų15453.9 Ų53.967%0.6728%0.283SS*.THydrogen-bonded Turntrans50.832.2-175.5-53.6179.5-172158.70114.1Y423 K469 S470 Y475Y423-K473 HydrophobicContact CE1-CD 4.42Å; Y423-K473 HydrophobicContact CE1-CG 4.43Å; Y423-K473 PolarHBondContact OH-NZ 3.03Å; K469-K473 CarbonylContact O-C 3.52Å; K469-K473 WeakPolarHBondContact O-CA 3.44Å; K469-K473 PolarHBondContact O-N 3.06Å; S470-K473 PolarHBondContact O-N 3.11Å; K473-Y475 HydrophobicContact CB-CD2 4.15Å; K473-Y475 HydrophobicContact CB-CE2 4.19Å
474G59.2Low74.6Confident35 Ų3556 Ų5636%0.36129%0.294SS..THydrogen-bonded Turntrans91.5-12.2179.800000115.7K469 T472 A476K469-G474 PolarHBondContact NZ-O 3.2Å; K469-G474 PolarHBondContact O-N 3.35Å; T472-G474 PolarHBondContact O-N 3.37Å; T472-G474 VanDerWaalsContact O-N 3.08Å; G474-A476 VanDerWaalsContact C-N 3.34Å; G474-A476 PolarHBondContact O-N 3.12Å
475Y62.9Low75.2Confident152 Ų15259.3 Ų59.360%0.59631%0.307SS*.  trans-74.4-13.3-172.3-67.5-68.6000116P420 Y423 T472 K473P420-Y475 HydrophobicContact CG-CG 4.29Å; Y423-Y475 AromaticContact CE2-CD2 3.83Å; Y423-Y475 HydrophobicContact CE2-CD2 3.83Å; Y423-Y475 HydrophobicContact CE2-CE2 4.47Å; T472-Y475 WeakPolarHBondContact O-CB 3.44Å; T472-Y475 WeakPolarHBondContact O-CD2 3.45Å; T472-Y475 PolarHBondContact O-N 3.08Å; T472-Y475 PolarHBondContact OG1-N 3.33Å; K473-Y475 HydrophobicContact CB-CD2 4.15Å; K473-Y475 HydrophobicContact CB-CE2 4.19Å
476A65Low76.2Confident1 Ų157.8 Ų57.81%0.00830%0.299CS..  trans-87.9141.7177.700000111.8I417 M418 V419 L468 K469 T472 G474I417-A476 HydrophobicContact CG2-CB 4.39Å; M418-A476 CarbonylContact O-C 3.5Å; M418-A476 WeakPolarHBondContact O-CA 3.49Å; V419-A476 HydrophobicContact CB-CB 4.22Å; V419-A476 HydrophobicContact CG2-CB 4.12Å; L468-A476 HydrophobicContact CD1-CB 3.77Å; L468-A476 HydrophobicContact CD2-CB 4.07Å; L468-A476 HydrophobicContact CG-CB 3.76Å; K469-A476 WeakPolarHBondContact CE-O 3.39Å; K469-A476 PolarHBondContact NZ-O 2.77Å; T472-A476 HydrophobicContact CG2-CB 3.66Å; T472-A476 VanDerWaalsContact OG1-CB 3.31Å; T472-A476 WeakPolarHBondContact OG1-CB 3.26Å; T472-A476 PolarHBondContact OG1-N 3.02Å; G474-A476 VanDerWaalsContact C-N 3.34Å; G474-A476 PolarHBondContact O-N 3.12Å
477S64.5Low77.3Confident34 Ų3458.9 Ų58.924%0.23830%0.301CS..EExtended strand (participates in β ladder)trans-110.2147.1165.859.30000109.1I417 M418I417-S477 VanDerWaalsContact CA-O 3.32Å; I417-S477 WeakPolarHBondContact CA-O 3.43Å; M418-S477 WeakPolarHBondContact CB-OG 3.46Å; M418-S477 PolarHBondContact N-O 2.95Å; M418-S477 PolarHBondContact O-N 3.49Å
478L74.8Confident77.8Confident21 Ų2158.8 Ų58.811%0.1130%0.303CS..EExtended strand (participates in β ladder)trans-124126.6175.3168.169.3000107.4A415 I417 I460 F464 L468A415-L478 HydrophobicContact CB-CD1 3.71Å; I417-L478 HydrophobicContact CD1-CD1 4.36Å; I417-L478 HydrophobicContact CG1-CD1 3.68Å; I460-L478 HydrophobicContact CG2-CD2 4.06Å; F464-L478 HydrophobicContact CD1-CD2 3.73Å; F464-L478 HydrophobicContact CE1-CD1 4.32Å; F464-L478 HydrophobicContact CE1-CD2 3.85Å; L468-L478 HydrophobicContact CD2-CB 3.75Å
479D67.7Low78.4Confident26 Ų2667.5 Ų67.514%0.13934%0.335CS..EExtended strand (participates in β ladder)trans-122.4151.6166.4-171.477000108.5A119 A415 N416A119-D479 HydrophobicContact CB-CB 4.18Å; A415-D479 CarbonylContact C-O 3.55Å; A415-D479 WeakPolarHBondContact CA-O 3.31Å; N416-D479 HydrophobicContact CB-CB 4.49Å; N416-D479 PolarHBondContact N-O 2.91Å; N416-D479 PolarHBondContact O-N 2.78Å
480Y77.5Confident79.3Confident39 Ų3964.8 Ų64.815%0.15332%0.324CS..EExtended strand (participates in β ladder)trans-149.9142.7177.164.9-90.9000112.8V413 K414 L457V413-Y480 HydrophobicContact CB-CD2 3.82Å; V413-Y480 HydrophobicContact CB-CG 4.23Å; V413-Y480 HydrophobicContact CG1-CD2 3.68Å; V413-Y480 HydrophobicContact CG1-CE2 4.26Å; V413-Y480 HydrophobicContact CG2-CD2 3.96Å; V413-Y480 HydrophobicContact CG2-CG 3.97Å; K414-Y480 VanDerWaalsContact O-CA 3.28Å; K414-Y480 WeakPolarHBondContact O-CA 3.2Å; L457-Y480 HydrophobicContact CD1-CE2 3.96Å
481E76.4Confident80Confident100 Ų10061.1 Ų61.147%0.46730%0.298SS..EExtended strand (participates in β ladder)trans-109.9140.217159.6-177.4173.700110.2V413 K414 A483V413-E481 CarbonylContact C-O 3.5Å; V413-E481 WeakPolarHBondContact CA-O 3.35Å; V413-E481 VanDerWaalsContact CB-O 3.28Å; V413-E481 WeakPolarHBondContact CB-O 3.33Å; K414-E481 HydrophobicContact CB-CG 3.81Å; K414-E481 HydrophobicContact CD-CG 4.07Å; K414-E481 WeakPolarHBondContact CD-OE1 3.28Å; K414-E481 PolarHBondContact N-O 3.45Å; K414-E481 IonicContact NZ-OE1 3.96Å; K414-E481 PolarHBondContact NZ-OE1 2.87Å; K414-E481 PolarHBondContact O-N 3.39Å; K414-E481 VanDerWaalsContact O-N 3.09Å; E481-A483 PolarHBondContact O-N 3.47Å
482M82.2Confident80.5Confident72 Ų7260.6 Ų60.636%0.35529%0.29SS..EExtended strand (participates in β ladder)trans-59.4124.1173.6-71.1-65.5-68.200109.5M303 P411 V413 L457M303-M482 HydrophobicContact CE-CG 4.36Å; M303-M482 HydrophobicContact CG-SD 4.34Å; M303-M482 HydrophobicContact SD-CE 3.71Å; M303-M482 HydrophobicContact SD-CG 4.28Å; M303-M482 HydrophobicContact SD-SD 4.02Å; P411-M482 HydrophobicContact CB-CE 3.73Å; V413-M482 HydrophobicContact CG1-SD 3.71Å; L457-M482 HydrophobicContact CD2-SD 4.08Å
483A85.9Confident81.4Confident43 Ų4360.6 Ų60.636%0.35529%0.29SS..EExtended strand (participates in β ladder)trans-100.4-138.9175.800000109.3F412 E481F412-A483 HydrophobicContact CB-CB 4.42Å; F412-A483 WeakPolarHBondContact O-CA 3.07Å; F412-A483 WeakPolarHBondContact O-CB 3.23Å; F412-A483 PolarHBondContact O-N 2.92Å; E481-A483 PolarHBondContact O-N 3.47Å
484D90.8Very high82.4Confident75 Ų7553.6 Ų53.640%0.40126%0.26SS..EExtended strand (participates in β ladder)trans-89.9157.6-179.757-36.3000112.9F412 R486F412-D484 WeakPolarHBondContact CB-O 3.16Å; F412-D484 PolarHBondContact N-O 2.92Å; D484-R486 VanDerWaalsContact CG-NE 3.28Å; D484-R486 IonicContact OD1-CZ 2.85Å; D484-R486 IonicContact OD1-NE 3.41Å; D484-R486 PolarHBondContact OD1-NE 3.14Å; D484-R486 IonicContact OD1-NH2 2.74Å; D484-R486 PolarHBondContact OD1-NH2 2.73Å; D484-R486 WeakPolarHBondContact OD2-CG 3.41Å; D484-R486 IonicContact OD2-CZ 2.78Å; D484-R486 IonicContact OD2-NE 3.96Å; D484-R486 PolarHBondContact OD2-NE 2.85Å; D484-R486 IonicContact OD2-NH2 3.25Å
485Y93Very high83.9Confident70 Ų7052 Ų5228%0.27524%0.243SC..EExtended strand (participates in β ladder)trans-80.4130.9163.6-84.8-102.5000108.7H382 E409 E410 P411H382-Y485 AromaticContact CD2-CE1 3.94Å; H382-Y485 AromaticContact CE1-CD1 3.63Å; H382-Y485 AromaticContact CE1-CD2 3.9Å; H382-Y485 AromaticContact CE1-CE1 3.48Å; H382-Y485 VanDerWaalsContact CE1-CE1 3.48Å; H382-Y485 WeakPolarHBondContact CE1-CE1 3.45Å; H382-Y485 AromaticContact CE1-CE2 3.76Å; H382-Y485 AromaticContact CE1-CG 3.83Å; H382-Y485 AromaticContact CE1-CZ 3.55Å; H382-Y485 AromaticContact CG-CD1 3.91Å; H382-Y485 AromaticContact CG-CE1 3.92Å; H382-Y485 AromaticContact ND1-CD1 3.4Å; H382-Y485 WeakPolarHBondContact ND1-CD1 3.02Å; H382-Y485 AromaticContact ND1-CE1 3.65Å; H382-Y485 AromaticContact ND1-CG 3.73Å; H382-Y485 AromaticContact NE2-CE1 3.69Å; H382-Y485 AromaticContact NE2-CZ 3.72Å; E409-Y485 HydrophobicContact CB-CD1 4.28Å; E410-Y485 WeakPolarHBondContact O-CA 3.28Å; P411-Y485 HydrophobicContact CB-CD1 4.45Å; P411-Y485 HydrophobicContact CB-CE1 4Å; P411-Y485 HydrophobicContact CB-CE2 4.21Å; P411-Y485 HydrophobicContact CG-CE1 4.2Å
486R93.6Very high85.3Confident53 Ų5346 Ų4620%0.222%0.221CC..EExtended strand (participates in β ladder)trans-126.7140.7-178.8-56.8-173.9-176.61768.2112E409 E410 F412 E437 N454 D484 S488E409-R486 VanDerWaalsContact CA-O 3.27Å; E409-R486 WeakPolarHBondContact CA-O 3.16Å; E410-R486 PolarHBondContact N-O 2.79Å; E410-R486 PolarHBondContact O-N 3.35Å; F412-R486 HydrophobicContact CD2-CB 3.72Å; F412-R486 HydrophobicContact CD2-CG 3.78Å; F412-R486 HydrophobicContact CE2-CB 3.64Å; F412-R486 HydrophobicContact CE2-CG 4.11Å; F412-R486 HydrophobicContact CG-CG 4.19Å; F412-R486 HydrophobicContact CZ-CB 4.4Å; E437-R486 IonicContact OE1-NH1 3.06Å; E437-R486 IonicContact OE2-CZ 3.37Å; E437-R486 IonicContact OE2-NH1 2.79Å; E437-R486 PolarHBondContact OE2-NH1 2.96Å; N454-R486 PolarHBondContact ND2-NH2 3.42Å; N454-R486 VanDerWaalsContact ND2-NH2 3.15Å; D484-R486 VanDerWaalsContact CG-NE 3.28Å; D484-R486 IonicContact OD1-CZ 2.85Å; D484-R486 IonicContact OD1-NE 3.41Å; D484-R486 PolarHBondContact OD1-NE 3.14Å; D484-R486 IonicContact OD1-NH2 2.74Å; D484-R486 PolarHBondContact OD1-NH2 2.73Å; D484-R486 WeakPolarHBondContact OD2-CG 3.41Å; D484-R486 IonicContact OD2-CZ 2.78Å; D484-R486 IonicContact OD2-NE 3.96Å; D484-R486 PolarHBondContact OD2-NE 2.85Å; D484-R486 IonicContact OD2-NH2 3.25Å; R486-S488 PolarHBondContact O-N 2.76Å
487E94.2Very high86.4Confident130 Ų13046.1 Ų46.161%0.60722%0.222SC*.EExtended strand (participates in β ladder)trans-60.5126173.7-179173.5159.500111N407 V408N407-E487 VanDerWaalsContact CB-CD 3.45Å; N407-E487 HydrophobicContact CB-CG 3.88Å; N407-E487 WeakPolarHBondContact CB-OE1 3.18Å; N407-E487 PolarHBondContact ND2-OE2 3.16Å; V408-E487 WeakPolarHBondContact O-CA 3.37Å
488S92.5Very high87.5Confident18 Ų1845.6 Ų45.613%0.12622%0.216CC..  trans-136.6152.3-179.4-74.70000112V408 E410 R486 L490V408-S488 PolarHBondContact O-N 2.93Å; E410-S488 WeakPolarHBondContact OE1-CB 3.36Å; E410-S488 PolarHBondContact OE1-OG 3.42Å; R486-S488 PolarHBondContact O-N 2.76Å; S488-L490 PolarHBondContact O-N 2.97Å
489R92Very high88Confident183 Ų18348 Ų4869%0.69124%0.239SC*.  trans-81.864.4-178.1-66.9-179.8176.7169.71.4111.3R511R489-R511 HydrophobicContact CB-CB 4.37Å; R489-R511 VanDerWaalsContact O-CB 3.29Å; R489-R511 WeakPolarHBondContact O-CB 3.44Å; R489-R511 PolarHBondContact O-N 3.11Å
490L92.1Very high88.9Confident13 Ų1352.1 Ų52.17%0.06826%0.258CS..EExtended strand (participates in β ladder)trans-84.8143.7-177.5-62.3178.4000111.9Y381 V408 E410 S488 I508 H510Y381-L490 HydrophobicContact CD1-CD1 3.44Å; Y381-L490 VanDerWaalsContact CD1-CD1 3.44Å; Y381-L490 HydrophobicContact CE1-CD1 3.34Å; V408-L490 HydrophobicContact CB-CB 4.35Å; V408-L490 HydrophobicContact CG1-CB 4.23Å; V408-L490 HydrophobicContact CG1-CD1 3.79Å; E410-L490 HydrophobicContact CB-CD1 3.85Å; E410-L490 HydrophobicContact CG-CD1 4.28Å; S488-L490 PolarHBondContact O-N 2.97Å; L490-I508 HydrophobicContact CB-CG2 3.89Å; L490-I508 HydrophobicContact CD1-CG2 4.15Å; L490-I508 HydrophobicContact CD2-CG2 4.38Å; L490-I508 HydrophobicContact CG-CG2 4.38Å; L490-H510 HydrophobicContact CD2-CB 4.18Å
491V91.3Very high89.4Confident20 Ų2055.1 Ų55.112%0.12127%0.271CS..EExtended strand (participates in β ladder)trans-138.6138.9177.8-68.70000109.4M493 V509 R511 A514 I542V491-M493 PolarHBondContact O-N 3.04Å; V491-V509 HydrophobicContact CG2-CG1 4.07Å; V491-V509 WeakPolarHBondContact CG2-O 2.75Å; V491-V509 PolarHBondContact N-O 2.78Å; V491-V509 PolarHBondContact O-N 3.25Å; V491-R511 HydrophobicContact CG1-CB 4.37Å; V491-R511 HydrophobicContact CG2-CB 4.28Å; V491-A514 HydrophobicContact CG2-CB 4.31Å; V491-I542 HydrophobicContact CB-CG2 3.84Å; V491-I542 HydrophobicContact CG1-CG2 4.2Å; V491-I542 HydrophobicContact CG2-CD1 3.9Å; V491-I542 HydrophobicContact CG2-CG1 4.47Å; V491-I542 HydrophobicContact CG2-CG2 4.23Å
492K91.7Very high89.9Confident34 Ų3450.9 Ų50.915%0.14825%0.252CS..EExtended strand (participates in β ladder)trans-71.6125.7168.9174167.3173.7171.70109.9P396 S397 F399 D494P396-K492 VanDerWaalsContact O-CD 3.23Å; P396-K492 WeakPolarHBondContact O-CD 3.25Å; P396-K492 WeakPolarHBondContact O-CE 3.43Å; P396-K492 PolarHBondContact O-NZ 3.25Å; S397-K492 PolarHBondContact O-NZ 2.81Å; S397-K492 VanDerWaalsContact O-NZ 3.09Å; F399-K492 HydrophobicContact CB-CB 4.41Å; F399-K492 HydrophobicContact CB-CD 3.78Å; F399-K492 HydrophobicContact CD1-CB 3.76Å; F399-K492 HydrophobicContact CD1-CD 4.38Å; F399-K492 HydrophobicContact CE1-CB 4.22Å; F399-K492 HydrophobicContact CG-CB 4.15Å; F399-K492 HydrophobicContact CG-CD 4.39Å; K492-D494 WeakPolarHBondContact CE-OD1 3.42Å
493M91.4Very high90Very high0 Ų048.8 Ų48.80%024%0.243CC..EExtended strand (participates in β ladder)trans-102.3123.6169.4-179.3163.2-62.700109.6V491 I495 S506 F507 V509 A514 G518 A540 T541 I542 V547V491-M493 PolarHBondContact O-N 3.04Å; M493-I495 HydrophobicContact CG-CD1 4.45Å; M493-S506 VanDerWaalsContact O-CA 3.3Å; M493-S506 WeakPolarHBondContact O-CA 3.42Å; M493-F507 HydrophobicContact CB-CD1 4.42Å; M493-F507 HydrophobicContact CB-CE1 4.02Å; M493-F507 HydrophobicContact CB-CE2 4.3Å; M493-F507 HydrophobicContact CB-CZ 3.96Å; M493-F507 HydrophobicContact CG-CE1 3.88Å; M493-F507 HydrophobicContact CG-CZ 3.93Å; M493-F507 PolarHBondContact N-O 3.43Å; M493-F507 PolarHBondContact O-N 3.35Å; M493-F507 HydrophobicContact SD-CE1 3.82Å; M493-F507 HydrophobicContact SD-CE2 4.3Å; M493-F507 HydrophobicContact SD-CZ 3.39Å; M493-F507 WeakPolarHBondContact SD-CZ 2.99Å; M493-V509 HydrophobicContact CB-CG1 4.1Å; M493-V509 HydrophobicContact CE-CG1 4.18Å; M493-A514 HydrophobicContact CE-CB 3.73Å; M493-A514 WeakPolarHBondContact CE-O 3.4Å; M493-G518 WeakPolarHBondContact SD-CA 3.31Å; M493-A540 HydrophobicContact CG-CB 4.3Å; M493-A540 HydrophobicContact SD-CB 3.84Å; M493-T541 WeakPolarHBondContact CA-O 3.08Å; M493-I542 HydrophobicContact CE-CD1 4.22Å; M493-I542 HydrophobicContact CE-CG1 4.18Å; M493-V547 HydrophobicContact CE-CG2 3.7Å
494D91.8Very high89.7Confident7 Ų747.4 Ų47.44%0.03723%0.231CC..EExtended strand (participates in β ladder)trans-105.1137.9173.9-56.2-84.2000110.4K492 L496 K501 A540 T541K492-D494 WeakPolarHBondContact CE-OD1 3.42Å; D494-L496 HydrophobicContact CB-CD1 4.06Å; D494-K501 HydrophobicContact CB-CD 4.06Å; D494-K501 HydrophobicContact CB-CG 4.26Å; D494-K501 VanDerWaalsContact OD1-CE 3.31Å; D494-K501 WeakPolarHBondContact OD1-CE 3.46Å; D494-K501 IonicContact OD1-NZ 3.8Å; D494-K501 PolarHBondContact OD1-NZ 2.92Å; D494-K501 VanDerWaalsContact OD2-CE 3.26Å; D494-K501 WeakPolarHBondContact OD2-CE 3.23Å; D494-K501 IonicContact OD2-NZ 3.82Å; D494-K501 PolarHBondContact OD2-NZ 3.48Å; D494-A540 CarbonylContact O-C 3.5Å; D494-A540 WeakPolarHBondContact O-CA 2.99Å; D494-T541 PolarHBondContact N-O 3.48Å; D494-T541 PolarHBondContact O-N 3.3Å; D494-T541 PolarHBondContact O-OG1 3.04Å
495I91Very high89.5Confident0 Ų044.3 Ų44.30%021%0.214CC..EExtended strand (participates in β ladder)trans-98.5125.4172.1-56.5-57.3000109.3M493 V502 L505 I521 L525 Q539 A540M493-I495 HydrophobicContact CG-CD1 4.45Å; I495-V502 PolarHBondContact O-N 3.23Å; I495-L505 HydrophobicContact CB-CB 3.89Å; I495-L505 HydrophobicContact CB-CD1 4.45Å; I495-L505 HydrophobicContact CG1-CB 3.91Å; I495-L505 WeakPolarHBondContact CG1-O 3.31Å; I495-L505 HydrophobicContact CG2-CB 4.44Å; I495-L505 HydrophobicContact CG2-CD1 4.11Å; I495-I521 HydrophobicContact CD1-CG2 3.83Å; I495-I521 HydrophobicContact CG1-CG2 4.13Å; I495-L525 HydrophobicContact CG2-CD1 3.68Å; I495-Q539 CarbonylContact C-O 3.53Å; I495-Q539 WeakPolarHBondContact CA-O 3.39Å; I495-A540 HydrophobicContact CD1-CB 3.76Å
496L91.6Very high89.2Confident26 Ų2641.4 Ų41.414%0.13620%0.204CC..EExtended strand (participates in β ladder)trans-111.9131.1177.8-69.374.4000110.3D494 E500 K501 I538 Q539 T541D494-L496 HydrophobicContact CB-CD1 4.06Å; L496-E500 CarbonylContact C-O 3.54Å; L496-E500 WeakPolarHBondContact CA-O 3.09Å; L496-K501 HydrophobicContact CD1-CG 4.04Å; L496-K501 HydrophobicContact CG-CG 3.96Å; L496-I538 WeakPolarHBondContact O-CA 3.22Å; L496-Q539 HydrophobicContact CB-CB 4.33Å; L496-Q539 PolarHBondContact N-O 3.36Å; L496-Q539 PolarHBondContact O-N 3.3Å; L496-T541 HydrophobicContact CD1-CG2 3.67Å; L496-T541 WeakPolarHBondContact CD1-OG1 3.47Å; L496-T541 HydrophobicContact CD2-CG2 4.49Å
497L89.2Confident88.9Confident5 Ų540.3 Ų40.33%0.02620%0.201CC..EExtended strand (participates in β ladder)trans-116.1118.3172.4-65-179.5000108.9A499 E500 V502 I529 I538 V593L497-A499 PolarHBondContact O-N 3.37Å; L497-A499 VanDerWaalsContact O-N 3.15Å; L497-E500 PolarHBondContact N-O 3.46Å; L497-E500 PolarHBondContact O-N 2.86Å; L497-V502 HydrophobicContact CB-CG2 4.24Å; L497-V502 HydrophobicContact CD1-CG2 3.69Å; L497-V502 HydrophobicContact CG-CG2 3.88Å; L497-I529 HydrophobicContact CD1-CD1 3.8Å; L497-I529 HydrophobicContact CD2-CD1 3.71Å; L497-I529 HydrophobicContact CG-CD1 4.47Å; L497-I538 HydrophobicContact CD2-CB 4.01Å; L497-I538 HydrophobicContact CD2-CD1 4.47Å; L497-I538 HydrophobicContact CD2-CG1 3.61Å; L497-I538 HydrophobicContact CD2-CG2 3.69Å; L497-V593 HydrophobicContact CD1-CB 4.45Å; L497-V593 HydrophobicContact CD1-CG2 3.1Å
498N87.7Confident88.7Confident23 Ų2334.8 Ų34.812%0.12318%0.176CC..THydrogen-bonded Turntrans51.536.2-174.3-159.838.2000114E500 P537 K586 G589 V591N498-E500 VanDerWaalsContact C-N 3.25Å; N498-E500 PolarHBondContact O-N 3.22Å; N498-P537 PolarHBondContact N-O 3.32Å; N498-K586 PolarHBondContact ND2-O 2.82Å; N498-G589 PolarHBondContact ND2-O 3.41Å; N498-V591 HydrophobicContact CB-CG2 4.12Å
499A84.9Confident88.5Confident72 Ų7234 Ų3460%0.59517%0.17SC*.THydrogen-bonded Turntrans71.53.3-175.800000116.3L497L497-A499 PolarHBondContact O-N 3.37Å; L497-A499 VanDerWaalsContact O-N 3.15Å
500E87Confident88.5Confident112 Ų11226.2 Ų26.252%0.52314%0.141SC..EExtended strand (participates in β ladder)trans-91.2131.1169.4-64.6178.316700109.2L496 L497 N498L496-E500 CarbonylContact C-O 3.54Å; L496-E500 WeakPolarHBondContact CA-O 3.09Å; L497-E500 PolarHBondContact N-O 3.46Å; L497-E500 PolarHBondContact O-N 2.86Å; N498-E500 VanDerWaalsContact C-N 3.25Å; N498-E500 PolarHBondContact O-N 3.22Å
501K88.2Confident88.4Confident101 Ų10133.8 Ų33.844%0.43917%0.169SC..EExtended strand (participates in β ladder)trans-71.9135.2174.5-90.5-170.2178.7-165.20109.7D494 L496D494-K501 HydrophobicContact CB-CD 4.06Å; D494-K501 HydrophobicContact CB-CG 4.26Å; D494-K501 VanDerWaalsContact OD1-CE 3.31Å; D494-K501 WeakPolarHBondContact OD1-CE 3.46Å; D494-K501 IonicContact OD1-NZ 3.8Å; D494-K501 PolarHBondContact OD1-NZ 2.92Å; D494-K501 VanDerWaalsContact OD2-CE 3.26Å; D494-K501 WeakPolarHBondContact OD2-CE 3.23Å; D494-K501 IonicContact OD2-NZ 3.82Å; D494-K501 PolarHBondContact OD2-NZ 3.48Å; L496-K501 HydrophobicContact CD1-CG 4.04Å; L496-K501 HydrophobicContact CG-CG 3.96Å
502V86.1Confident88.2Confident11 Ų1139.5 Ų39.57%0.06719%0.194CC..EExtended strand (participates in β ladder)trans-102.698.1168.9-1740000107.3A342 I495 L497 A504 L505 S506 F598A342-V502 HydrophobicContact CB-CG1 3.85Å; I495-V502 PolarHBondContact O-N 3.23Å; L497-V502 HydrophobicContact CB-CG2 4.24Å; L497-V502 HydrophobicContact CD1-CG2 3.69Å; L497-V502 HydrophobicContact CG-CG2 3.88Å; V502-A504 VanDerWaalsContact C-N 3.33Å; V502-A504 PolarHBondContact O-N 2.96Å; V502-L505 HydrophobicContact CB-CB 4.33Å; V502-L505 HydrophobicContact CB-CD1 4.19Å; V502-L505 HydrophobicContact CB-CG 4.39Å; V502-L505 HydrophobicContact CG1-CB 4.15Å; V502-L505 HydrophobicContact CG1-CD1 3.86Å; V502-L505 HydrophobicContact CG1-CG 3.81Å; V502-L505 PolarHBondContact O-N 3.29Å; V502-L505 VanDerWaalsContact O-N 3.15Å; V502-S506 PolarHBondContact O-OG 3.36Å; V502-F598 HydrophobicContact CG1-CE1 3.91Å; V502-F598 HydrophobicContact CG1-CZ 4.04Å
503D83.7Confident87.9Confident29 Ų2939.7 Ų39.716%0.15520%0.195CC..EExtended strand (participates in β ladder)trans-57.1-43.5-177.455-7.2000112.6S340 Q341 L505 S506S340-D503 VanDerWaalsContact CA-OD2 3.29Å; S340-D503 WeakPolarHBondContact CA-OD2 3.41Å; S340-D503 PolarHBondContact OG-OD1 2.99Å; Q341-D503 PolarHBondContact N-OD1 3.34Å; Q341-D503 PolarHBondContact N-OD2 2.87Å; D503-L505 PolarHBondContact O-N 2.66Å; D503-L505 VanDerWaalsContact O-N 3.07Å; D503-S506 VanDerWaalsContact O-CB 3.25Å; D503-S506 WeakPolarHBondContact O-CB 3.35Å; D503-S506 PolarHBondContact O-N 2.87Å; D503-S506 PolarHBondContact O-OG 3.44Å
504A81.1Confident87.8Confident13 Ų1339.8 Ų39.811%0.10720%0.196CC..EExtended strand (participates in β ladder)trans-62.4-15.3178.100000115L343 T375 V502 F598L343-A504 HydrophobicContact CD1-CB 3.62Å; L343-A504 HydrophobicContact CG-CB 3.96Å; T375-A504 HydrophobicContact CG2-CB 4.41Å; V502-A504 VanDerWaalsContact C-N 3.33Å; V502-A504 PolarHBondContact O-N 2.96Å; A504-F598 HydrophobicContact CB-CD1 4.49Å; A504-F598 HydrophobicContact CB-CE1 3.91Å
505L85.3Confident87.7Confident11 Ų1146.3 Ų46.36%0.05823%0.226CC..EExtended strand (participates in β ladder)trans-1032.7174.1-66.6177.7000112.8I495 V502 D503 F507 L525 F598 V601I495-L505 HydrophobicContact CB-CB 3.89Å; I495-L505 HydrophobicContact CB-CD1 4.45Å; I495-L505 HydrophobicContact CG1-CB 3.91Å; I495-L505 WeakPolarHBondContact CG1-O 3.31Å; I495-L505 HydrophobicContact CG2-CB 4.44Å; I495-L505 HydrophobicContact CG2-CD1 4.11Å; V502-L505 HydrophobicContact CB-CB 4.33Å; V502-L505 HydrophobicContact CB-CD1 4.19Å; V502-L505 HydrophobicContact CB-CG 4.39Å; V502-L505 HydrophobicContact CG1-CB 4.15Å; V502-L505 HydrophobicContact CG1-CD1 3.86Å; V502-L505 HydrophobicContact CG1-CG 3.81Å; V502-L505 PolarHBondContact O-N 3.29Å; V502-L505 VanDerWaalsContact O-N 3.15Å; D503-L505 PolarHBondContact O-N 2.66Å; D503-L505 VanDerWaalsContact O-N 3.07Å; L505-F507 WeakPolarHBondContact O-CD1 3.47Å; L505-L525 HydrophobicContact CD1-CD1 4.03Å; L505-L525 HydrophobicContact CD1-CD2 4.12Å; L505-F598 HydrophobicContact CD1-CE1 4.2Å; L505-F598 HydrophobicContact CD2-CD1 3.5Å; L505-F598 VanDerWaalsContact CD2-CD1 3.5Å; L505-F598 HydrophobicContact CD2-CE1 3.87Å; L505-F598 HydrophobicContact CD2-CG 4.43Å; L505-F598 HydrophobicContact CG-CD1 3.87Å; L505-F598 HydrophobicContact CG-CE1 3.67Å; L505-V601 HydrophobicContact CD2-CB 4.46Å; L505-V601 HydrophobicContact CD2-CG1 4.15Å
506S87Confident87.6Confident9 Ų953 Ų536%0.06326%0.258CS..EExtended strand (participates in β ladder)trans-81.8139.1178.1-56.60000110P396 M493 V502 D503P396-S506 WeakPolarHBondContact CB-O 3.19Å; P396-S506 WeakPolarHBondContact CG-O 3.42Å; M493-S506 VanDerWaalsContact O-CA 3.3Å; M493-S506 WeakPolarHBondContact O-CA 3.42Å; V502-S506 PolarHBondContact O-OG 3.36Å; D503-S506 VanDerWaalsContact O-CB 3.25Å; D503-S506 WeakPolarHBondContact O-CB 3.35Å; D503-S506 PolarHBondContact O-N 2.87Å; D503-S506 PolarHBondContact O-OG 3.44Å
507F87Confident87.3Confident30 Ų3053.7 Ų53.713%0.13226%0.258CS..EExtended strand (participates in β ladder)trans-148.4161.2-17762.6-79.3000111.1M493 L505 V509 R517 I521M493-F507 HydrophobicContact CB-CD1 4.42Å; M493-F507 HydrophobicContact CB-CE1 4.02Å; M493-F507 HydrophobicContact CB-CE2 4.3Å; M493-F507 HydrophobicContact CB-CZ 3.96Å; M493-F507 HydrophobicContact CG-CE1 3.88Å; M493-F507 HydrophobicContact CG-CZ 3.93Å; M493-F507 PolarHBondContact N-O 3.43Å; M493-F507 PolarHBondContact O-N 3.35Å; M493-F507 HydrophobicContact SD-CE1 3.82Å; M493-F507 HydrophobicContact SD-CE2 4.3Å; M493-F507 HydrophobicContact SD-CZ 3.39Å; M493-F507 WeakPolarHBondContact SD-CZ 2.99Å; L505-F507 WeakPolarHBondContact O-CD1 3.47Å; F507-V509 HydrophobicContact CD2-CB 3.98Å; F507-V509 HydrophobicContact CE2-CB 3.72Å; F507-V509 HydrophobicContact CE2-CG1 4.08Å; F507-V509 HydrophobicContact CE2-CG2 4.2Å; F507-R517 HydrophobicContact CE2-CB 4.34Å; F507-R517 HydrophobicContact CZ-CB 4.3Å; F507-I521 HydrophobicContact CD1-CD1 4.14Å; F507-I521 HydrophobicContact CE1-CD1 3.17Å; F507-I521 HydrophobicContact CE2-CD1 4.36Å; F507-I521 HydrophobicContact CZ-CD1 3.3Å
508I89.3Confident87.3Confident14 Ų1453.4 Ų53.47%0.07226%0.257CS..EExtended strand (participates in β ladder)trans-96.6131176.9-63.5165000107.9Y381 P396 F399 L490Y381-I508 HydrophobicContact CD2-CD1 3.42Å; Y381-I508 VanDerWaalsContact CD2-CD1 3.42Å; Y381-I508 HydrophobicContact CE1-CG2 4.04Å; Y381-I508 HydrophobicContact CE2-CB 3.89Å; Y381-I508 HydrophobicContact CE2-CD1 3.4Å; Y381-I508 VanDerWaalsContact CE2-CD1 3.4Å; Y381-I508 HydrophobicContact CE2-CG1 4.22Å; Y381-I508 HydrophobicContact CE2-CG2 4.06Å; Y381-I508 HydrophobicContact CG-CD1 4.24Å; P396-I508 HydrophobicContact CB-CG1 4.38Å; F399-I508 HydrophobicContact CD2-CD1 3.54Å; F399-I508 HydrophobicContact CD2-CG1 4.02Å; F399-I508 HydrophobicContact CE2-CD1 4.04Å; F399-I508 HydrophobicContact CE2-CG1 4.36Å; F399-I508 HydrophobicContact CG-CD1 4.39Å; L490-I508 HydrophobicContact CB-CG2 3.89Å; L490-I508 HydrophobicContact CD1-CG2 4.15Å; L490-I508 HydrophobicContact CD2-CG2 4.38Å; L490-I508 HydrophobicContact CG-CG2 4.38Å
509V89.3Confident87.5Confident2 Ų257.4 Ų57.41%0.01227%0.27CS..EExtended strand (participates in β ladder)trans-138.5149-175.662.90000110.8V491 M493 F507 R511 F513 A514 R517V491-V509 HydrophobicContact CG2-CG1 4.07Å; V491-V509 WeakPolarHBondContact CG2-O 2.75Å; V491-V509 PolarHBondContact N-O 2.78Å; V491-V509 PolarHBondContact O-N 3.25Å; M493-V509 HydrophobicContact CB-CG1 4.1Å; M493-V509 HydrophobicContact CE-CG1 4.18Å; F507-V509 HydrophobicContact CD2-CB 3.98Å; F507-V509 HydrophobicContact CE2-CB 3.72Å; F507-V509 HydrophobicContact CE2-CG1 4.08Å; F507-V509 HydrophobicContact CE2-CG2 4.2Å; V509-R511 PolarHBondContact O-N 3.48Å; V509-F513 HydrophobicContact CG2-CB 4.31Å; V509-A514 HydrophobicContact CG1-CB 3.8Å; V509-R517 HydrophobicContact CG2-CG 4.41Å
510H90.9Very high87.6Confident19 Ų1955.8 Ų55.89%0.08826%0.257CS..EExtended strand (participates in β ladder)trans-66.5133.2169.7-169.2-95.5000111L490 E512 F513 A514L490-H510 HydrophobicContact CD2-CB 4.18Å; H510-E512 IonicContact CE1-OE2 3.82Å; H510-E512 IonicContact ND1-OE2 3.53Å; H510-E512 PolarHBondContact O-N 3.48Å; H510-F513 HydrophobicContact CB-CD2 4.18Å; H510-F513 PolarHBondContact O-N 2.76Å; H510-A514 PolarHBondContact O-N 3.01Å
511R90Very high87.7Confident171 Ų17151.1 Ų51.165%0.64524%0.235SC*.THydrogen-bonded Turntrans-54.6-31.4-170.3-175.4172.6-177.8141.2-2.7114.4R489 V491 V509 A514R489-R511 HydrophobicContact CB-CB 4.37Å; R489-R511 VanDerWaalsContact O-CB 3.29Å; R489-R511 WeakPolarHBondContact O-CB 3.44Å; R489-R511 PolarHBondContact O-N 3.11Å; V491-R511 HydrophobicContact CG1-CB 4.37Å; V491-R511 HydrophobicContact CG2-CB 4.28Å; V509-R511 PolarHBondContact O-N 3.48Å; R511-A514 WeakPolarHBondContact O-CB 3.27Å
512E88Confident87.8Confident140 Ų14046.3 Ų46.365%0.65422%0.215SC*.THydrogen-bonded Turntrans-67.8-38179.2-66.5179.9169.500112.6H510H510-E512 IonicContact CE1-OE2 3.82Å; H510-E512 IonicContact ND1-OE2 3.53Å; H510-E512 PolarHBondContact O-N 3.48Å
513F85.8Confident88.1Confident39 Ų3948.4 Ų48.417%0.17123%0.225CC..THydrogen-bonded Turntrans-89.8-8.7-179.2-61.6-76000113.3R433 R435 V509 H510 Q515 E516 R517R433-F513 WeakPolarHBondContact O-CZ 3.16Å; R435-F513 HydrophobicContact CG-CD2 4.42Å; R435-F513 HydrophobicContact CG-CE2 3.51Å; R435-F513 HydrophobicContact CG-CZ 4.18Å; V509-F513 HydrophobicContact CG2-CB 4.31Å; H510-F513 HydrophobicContact CB-CD2 4.18Å; H510-F513 PolarHBondContact O-N 2.76Å; F513-Q515 VanDerWaalsContact C-N 3.29Å; F513-Q515 PolarHBondContact O-N 3.03Å; F513-E516 PolarHBondContact O-N 3.23Å; F513-R517 HydrophobicContact CB-CG 4.45Å; F513-R517 PolarHBondContact O-N 2.9Å
514A89.1Confident88.2Confident2 Ų250.7 Ų50.72%0.01723%0.234CC..Hα-helixtrans-56.5-41.3-173.700000112.6V491 M493 V509 H510 R511 G518 I542V491-A514 HydrophobicContact CG2-CB 4.31Å; M493-A514 HydrophobicContact CE-CB 3.73Å; M493-A514 WeakPolarHBondContact CE-O 3.4Å; V509-A514 HydrophobicContact CG1-CB 3.8Å; H510-A514 PolarHBondContact O-N 3.01Å; R511-A514 WeakPolarHBondContact O-CB 3.27Å; A514-G518 PolarHBondContact O-N 3.17Å; A514-I542 HydrophobicContact CB-CD1 3.61Å
515Q90.2Very high88.5Confident144 Ų14450 Ų5067%0.67323%0.229SC*.Hα-helixtrans-66.3-43.4179.9-176.6173.8-11.600112.5F513 R519F513-Q515 VanDerWaalsContact C-N 3.29Å; F513-Q515 PolarHBondContact O-N 3.03Å; Q515-R519 VanDerWaalsContact O-CB 3.27Å; Q515-R519 WeakPolarHBondContact O-CB 3.26Å; Q515-R519 PolarHBondContact O-N 3.36Å
516E88.6Confident88.8Confident140 Ų14054 Ų5465%0.65425%0.245SC*.Hα-helixtrans-67.2-51.1-179.7-176.5174-165.200111F513 G518 R519 A520F513-E516 PolarHBondContact O-N 3.23Å; E516-G518 PolarHBondContact O-N 3.48Å; E516-R519 WeakPolarHBondContact O-CB 3.44Å; E516-R519 PolarHBondContact O-N 3.08Å; E516-R519 VanDerWaalsContact O-N 3.15Å; E516-A520 PolarHBondContact O-N 2.98Å
517R84.8Confident88.8Confident40 Ų4058.5 Ų58.515%0.15127%0.273CS..Hα-helixtrans-61.6-46.4178.1-66.6-161.9-167.8169.74.6112.2E459 F507 V509 F513 R519 A520 I521E459-R517 IonicContact OE1-CZ 3.4Å; E459-R517 IonicContact OE1-NH1 2.78Å; E459-R517 IonicContact OE1-NH2 2.75Å; E459-R517 PolarHBondContact OE1-NH2 2.86Å; E459-R517 IonicContact OE2-CZ 2.98Å; E459-R517 IonicContact OE2-NH1 2.92Å; E459-R517 IonicContact OE2-NH2 3.52Å; E459-R517 PolarHBondContact OE2-NH2 3.09Å; F507-R517 HydrophobicContact CE2-CB 4.34Å; F507-R517 HydrophobicContact CZ-CB 4.3Å; V509-R517 HydrophobicContact CG2-CG 4.41Å; F513-R517 HydrophobicContact CB-CG 4.45Å; F513-R517 PolarHBondContact O-N 2.9Å; R517-R519 PolarHBondContact O-N 2.99Å; R517-A520 PolarHBondContact O-N 3.26Å; R517-I521 WeakPolarHBondContact O-CG1 3.2Å; R517-I521 PolarHBondContact O-N 3.2Å
518G90Very high88.8Confident0 Ų059.6 Ų59.60%028%0.279CS..Hα-helixtrans-60.1-35.8176.900000112.2M493 A514 E516 V522M493-G518 WeakPolarHBondContact SD-CA 3.31Å; A514-G518 PolarHBondContact O-N 3.17Å; E516-G518 PolarHBondContact O-N 3.48Å; G518-V522 VanDerWaalsContact O-CB 3.31Å; G518-V522 WeakPolarHBondContact O-CB 3.42Å; G518-V522 WeakPolarHBondContact O-CG2 3.35Å; G518-V522 PolarHBondContact O-N 3Å
519R91.9Very high88.6Confident107 Ų10759.1 Ų59.140%0.40428%0.277SS..Hα-helixtrans-69-46.3176.1-176.167.9-169.2171.316.9112Q515 E516 R517 V522 D523 A548 R549 T550Q515-R519 VanDerWaalsContact O-CB 3.27Å; Q515-R519 WeakPolarHBondContact O-CB 3.26Å; Q515-R519 PolarHBondContact O-N 3.36Å; E516-R519 WeakPolarHBondContact O-CB 3.44Å; E516-R519 PolarHBondContact O-N 3.08Å; E516-R519 VanDerWaalsContact O-N 3.15Å; R517-R519 PolarHBondContact O-N 2.99Å; R519-V522 PolarHBondContact O-N 3.05Å; R519-D523 IonicContact CZ-OD1 3.43Å; R519-D523 IonicContact CZ-OD2 3.24Å; R519-D523 VanDerWaalsContact CZ-OD2 3.24Å; R519-D523 IonicContact NE-OD1 3.73Å; R519-D523 IonicContact NE-OD2 2.82Å; R519-D523 PolarHBondContact NE-OD2 3.15Å; R519-D523 IonicContact NH2-OD1 2.89Å; R519-D523 PolarHBondContact NH2-OD1 3.3Å; R519-D523 IonicContact NH2-OD2 2.96Å; R519-D523 PolarHBondContact NH2-OD2 2.92Å; R519-D523 WeakPolarHBondContact O-CB 3.42Å; R519-D523 PolarHBondContact O-N 3.37Å; R519-A548 HydrophobicContact CB-CB 4.18Å; R519-R549 PolarHBondContact NH1-O 2.94Å; R519-T550 PolarHBondContact NH1-OG1 2.79Å; R519-T550 PolarHBondContact NH2-OG1 3.4Å
520A87.4Confident88.4Confident37 Ų3762.3 Ų62.331%0.30630%0.298SS..Hα-helixtrans-54.7-58177.900000110.1E516 R517 V522 D523 K524 M604E516-A520 PolarHBondContact O-N 2.98Å; R517-A520 PolarHBondContact O-N 3.26Å; A520-V522 PolarHBondContact O-N 3.35Å; A520-D523 PolarHBondContact O-N 3.47Å; A520-K524 PolarHBondContact O-N 3.17Å; A520-M604 VanDerWaalsContact C-CE 3.41Å; A520-M604 HydrophobicContact CB-CE 4.07Å; A520-M604 WeakPolarHBondContact O-CE 3.2Å
521I87.6Confident88.2Confident15 Ų1567.5 Ų67.58%0.07732%0.316CS..Hα-helixtrans-54.5-49.6-177.7-65.7170.3000111.7I495 F507 R517 D523 K524 L525 V601 M604I495-I521 HydrophobicContact CD1-CG2 3.83Å; I495-I521 HydrophobicContact CG1-CG2 4.13Å; F507-I521 HydrophobicContact CD1-CD1 4.14Å; F507-I521 HydrophobicContact CE1-CD1 3.17Å; F507-I521 HydrophobicContact CE2-CD1 4.36Å; F507-I521 HydrophobicContact CZ-CD1 3.3Å; R517-I521 WeakPolarHBondContact O-CG1 3.2Å; R517-I521 PolarHBondContact O-N 3.2Å; I521-D523 VanDerWaalsContact C-N 3.31Å; I521-D523 PolarHBondContact O-N 3.07Å; I521-K524 PolarHBondContact O-N 3.24Å; I521-L525 HydrophobicContact CG2-CD1 3.8Å; I521-L525 HydrophobicContact CG2-CG 4.32Å; I521-L525 WeakPolarHBondContact O-CB 3.48Å; I521-L525 VanDerWaalsContact O-CG 3.32Å; I521-L525 WeakPolarHBondContact O-CG 3.5Å; I521-L525 PolarHBondContact O-N 3.06Å; I521-V601 HydrophobicContact CB-CG1 4.45Å; I521-V601 HydrophobicContact CG1-CG1 4.09Å; I521-V601 HydrophobicContact CG2-CG1 3.79Å; I521-V601 HydrophobicContact CG2-CG2 4.43Å; I521-M604 HydrophobicContact CG1-SD 4.33Å
522V91.6Very high88Confident0 Ų062 Ų620%030%0.298CS..Hα-helixtrans-63.4-36.2-178.7168.40000111.9G518 R519 A520 K526 I538 A540 A548 T550G518-V522 VanDerWaalsContact O-CB 3.31Å; G518-V522 WeakPolarHBondContact O-CB 3.42Å; G518-V522 WeakPolarHBondContact O-CG2 3.35Å; G518-V522 PolarHBondContact O-N 3Å; R519-V522 PolarHBondContact O-N 3.05Å; A520-V522 PolarHBondContact O-N 3.35Å; V522-K526 PolarHBondContact O-N 3.33Å; V522-I538 HydrophobicContact CB-CG2 4.14Å; V522-I538 HydrophobicContact CG1-CB 4.02Å; V522-I538 HydrophobicContact CG1-CG2 3.83Å; V522-I538 WeakPolarHBondContact CG1-O 3.32Å; V522-I538 HydrophobicContact CG2-CG2 4.01Å; V522-A540 HydrophobicContact CG2-CB 3.75Å; V522-A548 HydrophobicContact CG2-CB 4.34Å; V522-T550 VanDerWaalsContact CG1-N 3.3Å
523D90.9Very high87.9Confident54 Ų5459.8 Ų59.829%0.28929%0.288SS..Hα-helixtrans-74-33.4178.4-79.8-21.6000112.9R519 A520 I521 K526 T550R519-D523 IonicContact CZ-OD1 3.43Å; R519-D523 IonicContact CZ-OD2 3.24Å; R519-D523 VanDerWaalsContact CZ-OD2 3.24Å; R519-D523 IonicContact NE-OD1 3.73Å; R519-D523 IonicContact NE-OD2 2.82Å; R519-D523 PolarHBondContact NE-OD2 3.15Å; R519-D523 IonicContact NH2-OD1 2.89Å; R519-D523 PolarHBondContact NH2-OD1 3.3Å; R519-D523 IonicContact NH2-OD2 2.96Å; R519-D523 PolarHBondContact NH2-OD2 2.92Å; R519-D523 WeakPolarHBondContact O-CB 3.42Å; R519-D523 PolarHBondContact O-N 3.37Å; A520-D523 PolarHBondContact O-N 3.47Å; I521-D523 VanDerWaalsContact C-N 3.31Å; I521-D523 PolarHBondContact O-N 3.07Å; D523-K526 WeakPolarHBondContact O-CB 3.16Å; D523-T550 PolarHBondContact OD1-OG1 3.3Å
524K86.6Confident87.9Confident77 Ų7758.6 Ų58.634%0.33528%0.282SS..Hα-helixtrans-75.8-41.5174.3-173.892.5172.8-169.40112.7A520 I521 K526 T527 L528 M604A520-K524 PolarHBondContact O-N 3.17Å; I521-K524 PolarHBondContact O-N 3.24Å; K524-K526 PolarHBondContact O-N 2.91Å; K524-K526 VanDerWaalsContact O-N 3.17Å; K524-T527 PolarHBondContact O-N 3.4Å; K524-T527 PolarHBondContact O-OG1 3.34Å; K524-L528 HydrophobicContact CD-CD1 4.49Å; K524-L528 HydrophobicContact CG-CD1 3.77Å; K524-L528 HydrophobicContact CG-CG 4.46Å; K524-L528 WeakPolarHBondContact O-CG 3.42Å; K524-L528 PolarHBondContact O-N 2.9Å; K524-L528 VanDerWaalsContact O-N 3.16Å; K524-M604 HydrophobicContact CB-CE 3.07Å; K524-M604 HydrophobicContact CB-SD 3.39Å; K524-M604 WeakPolarHBondContact CB-SD 3.38Å; K524-M604 HydrophobicContact CD-CE 3.95Å; K524-M604 HydrophobicContact CD-CG 4.41Å; K524-M604 HydrophobicContact CD-SD 4.33Å; K524-M604 HydrophobicContact CG-CE 3.66Å; K524-M604 HydrophobicContact CG-CG 4.19Å; K524-M604 HydrophobicContact CG-SD 3.61Å
525L88.4Confident87.9Confident0 Ų062.5 Ų62.50%030%0.3CS..Hα-helixtrans-54.6-36.8172.1-75.3173.2000111.4I495 L505 I521 T527 L528 I529 I538 A597 V601I495-L525 HydrophobicContact CG2-CD1 3.68Å; L505-L525 HydrophobicContact CD1-CD1 4.03Å; L505-L525 HydrophobicContact CD1-CD2 4.12Å; I521-L525 HydrophobicContact CG2-CD1 3.8Å; I521-L525 HydrophobicContact CG2-CG 4.32Å; I521-L525 WeakPolarHBondContact O-CB 3.48Å; I521-L525 VanDerWaalsContact O-CG 3.32Å; I521-L525 WeakPolarHBondContact O-CG 3.5Å; I521-L525 PolarHBondContact O-N 3.06Å; L525-T527 VanDerWaalsContact C-N 3.28Å; L525-T527 PolarHBondContact O-N 2.86Å; L525-L528 PolarHBondContact O-N 3.33Å; L525-I529 HydrophobicContact CB-CD1 4.14Å; L525-I529 HydrophobicContact CD2-CD1 4.22Å; L525-I529 WeakPolarHBondContact O-CB 3.31Å; L525-I529 VanDerWaalsContact O-CG1 3.31Å; L525-I529 WeakPolarHBondContact O-CG1 3.12Å; L525-I529 PolarHBondContact O-N 3.15Å; L525-I538 HydrophobicContact CB-CD1 3.86Å; L525-I538 HydrophobicContact CB-CG2 4.14Å; L525-I538 HydrophobicContact CD1-CG2 3.95Å; L525-A597 HydrophobicContact CD2-CB 4.21Å; L525-V601 HydrophobicContact CD2-CG2 3.59Å; L525-V601 HydrophobicContact CG-CG2 3.75Å
526K90Very high87.9Confident95 Ų9555.6 Ų55.641%0.41327%0.268SS..Hα-helixtrans-63-32175.5-174.1-137.4-157.7159.10113.4V522 D523 K524 I538 T550 I552V522-K526 PolarHBondContact O-N 3.33Å; D523-K526 WeakPolarHBondContact O-CB 3.16Å; K524-K526 PolarHBondContact O-N 2.91Å; K524-K526 VanDerWaalsContact O-N 3.17Å; K526-I538 HydrophobicContact CB-CD1 3.88Å; K526-I538 VanDerWaalsContact N-CD1 3.34Å; K526-T550 HydrophobicContact CB-CG2 3.93Å; K526-T550 HydrophobicContact CD-CG2 3.44Å; K526-T550 VanDerWaalsContact CD-CG2 3.44Å; K526-T550 VanDerWaalsContact CE-CG2 3.47Å; K526-T550 HydrophobicContact CG-CG2 3.63Å; K526-I552 HydrophobicContact CB-CG1 4.48Å; K526-I552 HydrophobicContact CG-CG1 4.1Å
527T87.5Confident88Confident103 Ų10349.4 Ų49.463%0.63224%0.24SC*.Hα-helixtrans-78.8-28.6177.656.10000113.2K524 L525K524-T527 PolarHBondContact O-N 3.4Å; K524-T527 PolarHBondContact O-OG1 3.34Å; L525-T527 VanDerWaalsContact C-N 3.28Å; L525-T527 PolarHBondContact O-N 2.86Å
528L86.7Confident88.4Confident52 Ų5247.5 Ų47.527%0.27223%0.233SC..Hα-helixtrans-97.8-33.8-171.6-61172.7000112.9K524 L525 A597 A600K524-L528 HydrophobicContact CD-CD1 4.49Å; K524-L528 HydrophobicContact CG-CD1 3.77Å; K524-L528 HydrophobicContact CG-CG 4.46Å; K524-L528 WeakPolarHBondContact O-CG 3.42Å; K524-L528 PolarHBondContact O-N 2.9Å; K524-L528 VanDerWaalsContact O-N 3.16Å; L525-L528 PolarHBondContact O-N 3.33Å; L528-A597 HydrophobicContact CB-CB 3.74Å; L528-A597 HydrophobicContact CD1-CB 4.26Å; L528-A600 HydrophobicContact CD1-CB 3.39Å
529I86.3Confident88.7Confident4 Ų448.5 Ų48.52%0.02124%0.238CC..SBendtrans-74.6124.7178.3-64.6173.3000109.5L497 L525 I538 I552 V591L497-I529 HydrophobicContact CD1-CD1 3.8Å; L497-I529 HydrophobicContact CD2-CD1 3.71Å; L497-I529 HydrophobicContact CG-CD1 4.47Å; L525-I529 HydrophobicContact CB-CD1 4.14Å; L525-I529 HydrophobicContact CD2-CD1 4.22Å; L525-I529 WeakPolarHBondContact O-CB 3.31Å; L525-I529 VanDerWaalsContact O-CG1 3.31Å; L525-I529 WeakPolarHBondContact O-CG1 3.12Å; L525-I529 PolarHBondContact O-N 3.15Å; I529-I538 HydrophobicContact CD1-CD1 4.33Å; I529-I552 HydrophobicContact CB-CD1 3.53Å; I529-I552 HydrophobicContact CG2-CD1 3.45Å; I529-I552 VanDerWaalsContact CG2-CD1 3.45Å; I529-V591 HydrophobicContact CG2-CG1 3.86Å
530P84.8Confident88.8Confident69 Ų6943.4 Ų43.445%0.44822%0.218SC..PPolyproline II helixtrans-64.2146.2-178.525.1-34000111.9Q532 P594P530-Q532 PolarHBondContact O-N 2.96Å; P530-P594 VanDerWaalsContact CD-CG 3.47Å; P530-P594 HydrophobicContact CG-CG 4.33Å
531R87.3Confident89.1Confident128 Ų12842 Ų4248%0.48321%0.206SC..PPolyproline II helixtrans-67.3127.1-179.7-64.4179.465.1-174.4-1.8111.1I552 K553 A554 L555R531-I552 HydrophobicContact CB-CG2 4.3Å; R531-I552 HydrophobicContact CG-CG2 3.79Å; R531-K553 PolarHBondContact NE-O 2.99Å; R531-K553 PolarHBondContact NH2-O 3.41Å; R531-K553 VanDerWaalsContact NH2-O 3.1Å; R531-A554 PolarHBondContact NH2-O 3.42Å; R531-L555 HydrophobicContact CB-CD2 4.18Å; R531-L555 HydrophobicContact CB-CG 4.01Å; R531-L555 VanDerWaalsContact O-CD1 3.28Å; R531-L555 WeakPolarHBondContact O-CD1 3.42Å
532Q85.5Confident89.2Confident56 Ų5643.2 Ų43.226%0.26221%0.212SC..PPolyproline II helixtrans-91.8170.4177.3-61.8-61.9-1600112.9P530 F534 V536 A554 L555P530-Q532 PolarHBondContact O-N 2.96Å; Q532-F534 CarbonylContact C-O 3.51Å; Q532-F534 HydrophobicContact CB-CD1 4.11Å; Q532-F534 HydrophobicContact CB-CE1 3.96Å; Q532-F534 HydrophobicContact CB-CG 4.48Å; Q532-F534 HydrophobicContact CB-CZ 4.22Å; Q532-F534 HydrophobicContact CG-CE1 4.44Å; Q532-F534 HydrophobicContact CG-CZ 4.37Å; Q532-F534 PolarHBondContact O-N 2.98Å; Q532-V536 HydrophobicContact CB-CG2 3.96Å; Q532-V536 HydrophobicContact CG-CG2 3.81Å; Q532-A554 CarbonylContact O-C 3.52Å; Q532-A554 WeakPolarHBondContact O-CA 3.39Å; Q532-L555 PolarHBondContact O-N 3.21Å
533Q85.3Confident89Confident94 Ų9445.2 Ų45.244%0.43923%0.233SC..SBendtrans-68.7-16.7174.2-66.2-63.7-27.200113.4K582 M585Q533-K582 VanDerWaalsContact O-CE 3.32Å; Q533-K582 WeakPolarHBondContact O-CE 3.19Å; Q533-M585 HydrophobicContact CB-CE 3.74Å; Q533-M585 HydrophobicContact CB-SD 3.67Å; Q533-M585 HydrophobicContact CG-SD 4.41Å
534F85.4Confident88.8Confident13 Ų1349.7 Ų49.76%0.05726%0.262CS..SBendtrans-114.6167.8172.859.4-84.7000110.3Q532 V536 A554 M585 K586 V591Q532-F534 CarbonylContact C-O 3.51Å; Q532-F534 HydrophobicContact CB-CD1 4.11Å; Q532-F534 HydrophobicContact CB-CE1 3.96Å; Q532-F534 HydrophobicContact CB-CG 4.48Å; Q532-F534 HydrophobicContact CB-CZ 4.22Å; Q532-F534 HydrophobicContact CG-CE1 4.44Å; Q532-F534 HydrophobicContact CG-CZ 4.37Å; Q532-F534 PolarHBondContact O-N 2.98Å; F534-V536 HydrophobicContact CD2-CG2 4.08Å; F534-V536 HydrophobicContact CE2-CG2 3.71Å; F534-V536 HydrophobicContact CZ-CG2 4.36Å; F534-A554 WeakPolarHBondContact O-CA 3.36Å; F534-A554 WeakPolarHBondContact O-CB 3.47Å; F534-M585 HydrophobicContact CB-CB 4.23Å; F534-M585 HydrophobicContact CD1-CB 3.95Å; F534-M585 HydrophobicContact CG-CB 4.43Å; F534-K586 HydrophobicContact CB-CB 4.1Å; F534-K586 HydrophobicContact CD2-CB 4.25Å; F534-K586 HydrophobicContact CD2-CG 4.3Å; F534-K586 HydrophobicContact CG-CB 4.39Å; F534-V591 HydrophobicContact CE2-CG2 4.03Å; F534-V591 HydrophobicContact CZ-CG2 3.98Å
535E88.3Confident89Confident84 Ų8453.1 Ų53.139%0.39328%0.277SS..  trans-84.1126178.9-176.9-177.414900108.9P537 D551 I552 A554E535-P537 WeakPolarHBondContact O-CD 3.49Å; E535-D551 HydrophobicContact CG-CB 4.07Å; E535-D551 WeakPolarHBondContact OE1-CB 3.43Å; E535-I552 WeakPolarHBondContact CA-O 3.46Å; E535-A554 HydrophobicContact CB-CB 4.41Å
536V90.2Very high89.2Confident0 Ų057 Ų570%030%0.297CS..EExtended strand (participates in β ladder)trans-102.9108.6-178.7178.20000108.6Q532 F534 I552 V591Q532-V536 HydrophobicContact CB-CG2 3.96Å; Q532-V536 HydrophobicContact CG-CG2 3.81Å; F534-V536 HydrophobicContact CD2-CG2 4.08Å; F534-V536 HydrophobicContact CE2-CG2 3.71Å; F534-V536 HydrophobicContact CZ-CG2 4.36Å; V536-I552 HydrophobicContact CB-CB 4.17Å; V536-I552 HydrophobicContact CB-CD1 4.27Å; V536-I552 HydrophobicContact CB-CG1 4.47Å; V536-I552 HydrophobicContact CG1-CD1 4.39Å; V536-I552 PolarHBondContact N-O 3.3Å; V536-I552 PolarHBondContact O-N 2.9Å; V536-V591 HydrophobicContact CB-CG2 4.32Å; V536-V591 HydrophobicContact CG1-CB 4.41Å; V536-V591 HydrophobicContact CG1-CG1 4.2Å; V536-V591 HydrophobicContact CG1-CG2 3.73Å; V536-V591 HydrophobicContact CG2-CG2 3.61Å
537P91.9Very high89.4Confident9 Ų954.1 Ų54.16%0.05829%0.288CS..EExtended strand (participates in β ladder)trans-74.3129.5170.330.5-31.7000109.9N498 E535 D551N498-P537 PolarHBondContact N-O 3.32Å; E535-P537 WeakPolarHBondContact O-CD 3.49Å; P537-D551 WeakPolarHBondContact CA-OD1 3.27Å; P537-D551 VanDerWaalsContact CB-OD1 3.3Å; P537-D551 WeakPolarHBondContact CB-OD1 3.46Å
538I93.5Very high89.7Confident0 Ų049.5 Ų49.50%026%0.26CS..EExtended strand (participates in β ladder)trans-107126.5168.7-52.5167.9000106.9L496 L497 V522 L525 K526 I529 R549 T550 I552L496-I538 WeakPolarHBondContact O-CA 3.22Å; L497-I538 HydrophobicContact CD2-CB 4.01Å; L497-I538 HydrophobicContact CD2-CD1 4.47Å; L497-I538 HydrophobicContact CD2-CG1 3.61Å; L497-I538 HydrophobicContact CD2-CG2 3.69Å; V522-I538 HydrophobicContact CB-CG2 4.14Å; V522-I538 HydrophobicContact CG1-CB 4.02Å; V522-I538 HydrophobicContact CG1-CG2 3.83Å; V522-I538 WeakPolarHBondContact CG1-O 3.32Å; V522-I538 HydrophobicContact CG2-CG2 4.01Å; L525-I538 HydrophobicContact CB-CD1 3.86Å; L525-I538 HydrophobicContact CB-CG2 4.14Å; L525-I538 HydrophobicContact CD1-CG2 3.95Å; K526-I538 HydrophobicContact CB-CD1 3.88Å; K526-I538 VanDerWaalsContact N-CD1 3.34Å; I529-I538 HydrophobicContact CD1-CD1 4.33Å; I538-R549 WeakPolarHBondContact O-CA 3.43Å; I538-T550 WeakPolarHBondContact CA-O 3.45Å; I538-T550 WeakPolarHBondContact CB-O 3.49Å; I538-T550 PolarHBondContact N-O 2.97Å; I538-T550 PolarHBondContact O-N 2.92Å; I538-T550 VanDerWaalsContact O-O 3.08Å; I538-I552 HydrophobicContact CD1-CD1 3.71Å; I538-I552 HydrophobicContact CD1-CG1 3.69Å; I538-I552 HydrophobicContact CG1-CD1 4.24Å; I538-I552 HydrophobicContact CG1-CG1 4.23Å
539Q94.9Very high90Very high22 Ų2252.4 Ų52.410%0.10327%0.267CS..EExtended strand (participates in β ladder)trans-134.6136.8-174.4-55.8176.1-75.900110.3I495 L496 I546 A548 R549I495-Q539 CarbonylContact C-O 3.53Å; I495-Q539 WeakPolarHBondContact CA-O 3.39Å; L496-Q539 HydrophobicContact CB-CB 4.33Å; L496-Q539 PolarHBondContact N-O 3.36Å; L496-Q539 PolarHBondContact O-N 3.3Å; Q539-I546 HydrophobicContact CB-CG2 4.39Å; Q539-A548 CarbonylContact C-O 3.47Å; Q539-A548 WeakPolarHBondContact CA-O 3.31Å; Q539-R549 HydrophobicContact CG-CB 4.36Å; Q539-R549 HydrophobicContact CG-CG 4.02Å
540A94.1Very high90.3Very high0 Ų052.6 Ų52.60%027%0.269CS..EExtended strand (participates in β ladder)trans-100.5132.4163.200000108.3M493 D494 I495 V522 V547 A548M493-A540 HydrophobicContact CG-CB 4.3Å; M493-A540 HydrophobicContact SD-CB 3.84Å; D494-A540 CarbonylContact O-C 3.5Å; D494-A540 WeakPolarHBondContact O-CA 2.99Å; I495-A540 HydrophobicContact CD1-CB 3.76Å; V522-A540 HydrophobicContact CG2-CB 3.75Å; A540-V547 HydrophobicContact CB-CG2 3.93Å; A540-V547 VanDerWaalsContact O-CG2 3.31Å; A540-V547 WeakPolarHBondContact O-CG2 3.39Å; A540-V547 PolarHBondContact O-N 2.88Å; A540-A548 HydrophobicContact CB-CB 4.19Å; A540-A548 PolarHBondContact N-O 3.04Å; A540-A548 PolarHBondContact O-N 3.22Å
541T93.9Very high90.7Very high7 Ų751.7 Ų51.74%0.04326%0.26CS..EExtended strand (participates in β ladder)trans-129.9150.7-176.662.50000111.9M493 D494 L496 K545 I546M493-T541 WeakPolarHBondContact CA-O 3.08Å; D494-T541 PolarHBondContact N-O 3.48Å; D494-T541 PolarHBondContact O-N 3.3Å; D494-T541 PolarHBondContact O-OG1 3.04Å; L496-T541 HydrophobicContact CD1-CG2 3.67Å; L496-T541 WeakPolarHBondContact CD1-OG1 3.47Å; L496-T541 HydrophobicContact CD2-CG2 4.49Å; T541-K545 CarbonylContact C-O 3.56Å; T541-K545 VanDerWaalsContact CA-O 3.23Å; T541-K545 WeakPolarHBondContact CA-O 3.38Å; T541-I546 HydrophobicContact CG2-CB 4.41Å; T541-I546 HydrophobicContact CG2-CG1 3.82Å
542I91.1Very high90.9Very high40 Ų4045.8 Ų45.821%0.20524%0.238CC..EExtended strand (participates in β ladder)trans-121.6106.1169.3-59.1173.8000106.1V491 M493 A514 T544 K545 V547V491-I542 HydrophobicContact CB-CG2 3.84Å; V491-I542 HydrophobicContact CG1-CG2 4.2Å; V491-I542 HydrophobicContact CG2-CD1 3.9Å; V491-I542 HydrophobicContact CG2-CG1 4.47Å; V491-I542 HydrophobicContact CG2-CG2 4.23Å; M493-I542 HydrophobicContact CE-CD1 4.22Å; M493-I542 HydrophobicContact CE-CG1 4.18Å; A514-I542 HydrophobicContact CB-CD1 3.61Å; I542-T544 PolarHBondContact O-N 3.03Å; I542-K545 PolarHBondContact N-O 3.02Å; I542-K545 PolarHBondContact O-N 3.06Å; I542-K545 VanDerWaalsContact O-N 3.09Å; I542-V547 HydrophobicContact CB-CG1 4.42Å; I542-V547 HydrophobicContact CD1-CG1 3.61Å; I542-V547 HydrophobicContact CD1-CG2 4.38Å; I542-V547 HydrophobicContact CG1-CG1 3.89Å; I542-V547 HydrophobicContact CG1-CG2 4.25Å
543G86.4Confident91.1Very high42 Ų4250.8 Ų50.843%0.43326%0.259SS..THydrogen-bonded Turntrans58.3-117.6-165.800000110.6
544T86.2Confident91.2Very high149 Ų14947.1 Ų47.191%0.91424%0.244SC*.THydrogen-bonded Turntrans-92.8-10.4178.756.20000113.9I542I542-T544 PolarHBondContact O-N 3.03Å
545K91.6Very high91.2Very high148 Ų14849.7 Ų49.764%0.64326%0.258SS*.EExtended strand (participates in β ladder)trans-88.4122.6-174.8-176.1-178.2176.6-174.30110.7T541 I542 V547T541-K545 CarbonylContact C-O 3.56Å; T541-K545 VanDerWaalsContact CA-O 3.23Å; T541-K545 WeakPolarHBondContact CA-O 3.38Å; I542-K545 PolarHBondContact N-O 3.02Å; I542-K545 PolarHBondContact O-N 3.06Å; I542-K545 VanDerWaalsContact O-N 3.09Å; K545-V547 PolarHBondContact O-N 2.96Å
546I93.2Very high90.8Very high82 Ų8253.4 Ų53.442%0.42127%0.269SS..EExtended strand (participates in β ladder)trans-74.3122.3170-59.7154000108.9Q539 T541 A548 R549Q539-I546 HydrophobicContact CB-CG2 4.39Å; T541-I546 HydrophobicContact CG2-CB 4.41Å; T541-I546 HydrophobicContact CG2-CG1 3.82Å; I546-A548 WeakPolarHBondContact CG2-O 3.22Å; I546-R549 HydrophobicContact CG2-CB 4.14Å
547V92.6Very high90.6Very high35 Ų3561.3 Ų61.321%0.21230%0.303CS..EExtended strand (participates in β ladder)trans-100-32.2178.2-67.40000112.6M493 A540 I542 K545M493-V547 HydrophobicContact CE-CG2 3.7Å; A540-V547 HydrophobicContact CB-CG2 3.93Å; A540-V547 VanDerWaalsContact O-CG2 3.31Å; A540-V547 WeakPolarHBondContact O-CG2 3.39Å; A540-V547 PolarHBondContact O-N 2.88Å; I542-V547 HydrophobicContact CB-CG1 4.42Å; I542-V547 HydrophobicContact CD1-CG1 3.61Å; I542-V547 HydrophobicContact CD1-CG2 4.38Å; I542-V547 HydrophobicContact CG1-CG1 3.89Å; I542-V547 HydrophobicContact CG1-CG2 4.25Å; K545-V547 PolarHBondContact O-N 2.96Å
548A93.6Very high90.3Very high6 Ų666 Ų665%0.0533%0.328CS..EExtended strand (participates in β ladder)trans-141.2147172.100000110.8R519 V522 Q539 A540 I546R519-A548 HydrophobicContact CB-CB 4.18Å; V522-A548 HydrophobicContact CG2-CB 4.34Å; Q539-A548 CarbonylContact C-O 3.47Å; Q539-A548 WeakPolarHBondContact CA-O 3.31Å; A540-A548 HydrophobicContact CB-CB 4.19Å; A540-A548 PolarHBondContact N-O 3.04Å; A540-A548 PolarHBondContact O-N 3.22Å; I546-A548 WeakPolarHBondContact CG2-O 3.22Å
549R94.2Very high89.8Confident112 Ų11267.9 Ų67.942%0.42334%0.339SS..EExtended strand (participates in β ladder)trans-145.8138175.7176.7173.8176.1179.5-5.4111.1R519 I538 Q539 I546 D551R519-R549 PolarHBondContact NH1-O 2.94Å; I538-R549 WeakPolarHBondContact O-CA 3.43Å; Q539-R549 HydrophobicContact CG-CB 4.36Å; Q539-R549 HydrophobicContact CG-CG 4.02Å; I546-R549 HydrophobicContact CG2-CB 4.14Å; R549-D551 IonicContact CZ-OD1 3.36Å; R549-D551 IonicContact CZ-OD2 3.96Å; R549-D551 IonicContact NE-OD1 2.94Å; R549-D551 PolarHBondContact NE-OD1 3.45Å; R549-D551 IonicContact NE-OD2 3.61Å; R549-D551 IonicContact NH2-OD1 3.42Å; R549-D551 PolarHBondContact NH2-OD1 3.15Å; R549-D551 IonicContact NH2-OD2 3.03Å
550T93.3Very high89.4Confident9 Ų969.5 Ų69.56%0.05535%0.348CS..EExtended strand (participates in β ladder)trans-142.3141.6168.1-660000108.9R519 V522 D523 K526 I538R519-T550 PolarHBondContact NH1-OG1 2.79Å; R519-T550 PolarHBondContact NH2-OG1 3.4Å; V522-T550 VanDerWaalsContact CG1-N 3.3Å; D523-T550 PolarHBondContact OD1-OG1 3.3Å; K526-T550 HydrophobicContact CB-CG2 3.93Å; K526-T550 HydrophobicContact CD-CG2 3.44Å; K526-T550 VanDerWaalsContact CD-CG2 3.44Å; K526-T550 VanDerWaalsContact CE-CG2 3.47Å; K526-T550 HydrophobicContact CG-CG2 3.63Å; I538-T550 WeakPolarHBondContact CA-O 3.45Å; I538-T550 WeakPolarHBondContact CB-O 3.49Å; I538-T550 PolarHBondContact N-O 2.97Å; I538-T550 PolarHBondContact O-N 2.92Å; I538-T550 VanDerWaalsContact O-O 3.08Å
551D92.9Very high88.9Confident49 Ų4972 Ų7226%0.26237%0.369SS..EExtended strand (participates in β ladder)trans-108.9132.9-179.2-53.9-61.8000111E535 P537 R549E535-D551 HydrophobicContact CG-CB 4.07Å; E535-D551 WeakPolarHBondContact OE1-CB 3.43Å; P537-D551 WeakPolarHBondContact CA-OD1 3.27Å; P537-D551 VanDerWaalsContact CB-OD1 3.3Å; P537-D551 WeakPolarHBondContact CB-OD1 3.46Å; R549-D551 IonicContact CZ-OD1 3.36Å; R549-D551 IonicContact CZ-OD2 3.96Å; R549-D551 IonicContact NE-OD1 2.94Å; R549-D551 PolarHBondContact NE-OD1 3.45Å; R549-D551 IonicContact NE-OD2 3.61Å; R549-D551 IonicContact NH2-OD1 3.42Å; R549-D551 PolarHBondContact NH2-OD1 3.15Å; R549-D551 IonicContact NH2-OD2 3.03Å
552I90.9Very high88.4Confident5 Ų580.3 Ų80.33%0.02641%0.405CS..EExtended strand (participates in β ladder)trans-80.9116.9169.7-53.4176.4000108.1K526 I529 R531 E535 V536 I538 A554K526-I552 HydrophobicContact CB-CG1 4.48Å; K526-I552 HydrophobicContact CG-CG1 4.1Å; I529-I552 HydrophobicContact CB-CD1 3.53Å; I529-I552 HydrophobicContact CG2-CD1 3.45Å; I529-I552 VanDerWaalsContact CG2-CD1 3.45Å; R531-I552 HydrophobicContact CB-CG2 4.3Å; R531-I552 HydrophobicContact CG-CG2 3.79Å; E535-I552 WeakPolarHBondContact CA-O 3.46Å; V536-I552 HydrophobicContact CB-CB 4.17Å; V536-I552 HydrophobicContact CB-CD1 4.27Å; V536-I552 HydrophobicContact CB-CG1 4.47Å; V536-I552 HydrophobicContact CG1-CD1 4.39Å; V536-I552 PolarHBondContact N-O 3.3Å; V536-I552 PolarHBondContact O-N 2.9Å; I538-I552 HydrophobicContact CD1-CD1 3.71Å; I538-I552 HydrophobicContact CD1-CG1 3.69Å; I538-I552 HydrophobicContact CG1-CD1 4.24Å; I538-I552 HydrophobicContact CG1-CG1 4.23Å; I552-A554 PolarHBondContact O-N 3.39Å
553K89.4Confident87.8Confident161 Ų16179.4 Ų79.470%0.740%0.401SS*.PPolyproline II helixtrans-62.8128.9-178.2-70.1-175.3178.7176.30110.9R531R531-K553 PolarHBondContact NE-O 2.99Å; R531-K553 PolarHBondContact NH2-O 3.41Å; R531-K553 VanDerWaalsContact NH2-O 3.1Å
554A87.5Confident87.3Confident16 Ų1687.5 Ų87.513%0.13242%0.42CS..PPolyproline II helixtrans-55.4141.4173.400000113R531 Q532 F534 E535 I552 K582R531-A554 PolarHBondContact NH2-O 3.42Å; Q532-A554 CarbonylContact O-C 3.52Å; Q532-A554 WeakPolarHBondContact O-CA 3.39Å; F534-A554 WeakPolarHBondContact O-CA 3.36Å; F534-A554 WeakPolarHBondContact O-CB 3.47Å; E535-A554 HydrophobicContact CB-CB 4.41Å; I552-A554 PolarHBondContact O-N 3.39Å; A554-K582 HydrophobicContact CB-CD 4.35Å
555L86.3Confident86.7Confident67 Ų6782.7 Ų82.735%0.35140%0.4SS..PPolyproline II helixtrans-57.9140162.5-71.3171.9000109.3R531 Q532 K582R531-L555 HydrophobicContact CB-CD2 4.18Å; R531-L555 HydrophobicContact CB-CG 4.01Å; R531-L555 VanDerWaalsContact O-CD1 3.28Å; R531-L555 WeakPolarHBondContact O-CD1 3.42Å; Q532-L555 PolarHBondContact O-N 3.21Å; L555-K582 VanDerWaalsContact O-CE 3.29Å; L555-K582 WeakPolarHBondContact O-CE 3.36Å; L555-K582 PolarHBondContact O-NZ 3.07Å
556R79.1Confident85.9Confident162 Ų16279 Ų7961%0.61141%0.405SS*.  trans-136.4113.9-177.5-168-179.6-175.8-175.6-1.4110.3
557K85.5Confident85.5Confident166 Ų16679.3 Ų79.372%0.72241%0.407SS*.  trans-64.9132.3163.9-174.5172.2-176.7170.60109.5V559 Q578K557-V559 VanDerWaalsContact C-N 3.27Å; K557-V559 PolarHBondContact O-N 3.35Å; K557-Q578 PolarHBondContact O-NE2 3.06Å
558N85.7Confident85.1Confident109 Ų10981.7 Ų81.758%0.58342%0.421SS*.  trans-70.685.1170.2-174.4-0.5000109.9L560 A561N558-L560 PolarHBondContact O-N 3.33Å; N558-L560 PolarHBondContact OD1-N 2.85Å; N558-A561 HydrophobicContact CB-CB 4.39Å; N558-A561 WeakPolarHBondContact O-CB 3.33Å; N558-A561 PolarHBondContact O-N 2.97Å; N558-A561 PolarHBondContact OD1-N 2.88Å
559V84.2Confident84.7Confident39 Ų3984.8 Ų84.824%0.23644%0.443CS..THydrogen-bonded Turntrans-65.9-16179.6-660000113K557 L574 L575 Q578K557-V559 VanDerWaalsContact C-N 3.27Å; K557-V559 PolarHBondContact O-N 3.35Å; V559-L574 HydrophobicContact CB-CB 4.33Å; V559-L574 HydrophobicContact CG2-CB 4.21Å; V559-L575 HydrophobicContact CG2-CD2 4.13Å; V559-Q578 HydrophobicContact CG1-CB 4.41Å
560L85.5Confident84.2Confident56 Ų5687.3 Ų87.329%0.29345%0.452SS..THydrogen-bonded Turntrans-91.6-3.5-179.1-56.9-178.1000113.1N558 K562 C563 K571 L575N558-L560 PolarHBondContact O-N 3.33Å; N558-L560 PolarHBondContact OD1-N 2.85Å; L560-K562 PolarHBondContact O-N 3.22Å; L560-K562 VanDerWaalsContact O-N 3.13Å; L560-C563 WeakPolarHBondContact O-CB 3.45Å; L560-C563 PolarHBondContact O-N 3.28Å; L560-K571 HydrophobicContact CD2-CB 3.88Å; L560-K571 HydrophobicContact CD2-CG 4Å; L560-L575 HydrophobicContact CD2-CG 4.41Å
561A84.3Confident83.8Confident53 Ų5390.4 Ų90.444%0.43847%0.465SS..THydrogen-bonded Turntrans-57.5-31.1-174.600000114.1N558N558-A561 HydrophobicContact CB-CB 4.39Å; N558-A561 WeakPolarHBondContact O-CB 3.33Å; N558-A561 PolarHBondContact O-N 2.97Å; N558-A561 PolarHBondContact OD1-N 2.88Å
562K82.4Confident83.6Confident181 Ų18195.9 Ų95.979%0.78748%0.482SS*.THydrogen-bonded Turntrans-987.6178-62.3-172.2177.2-172.40113.6L560 Y564L560-K562 PolarHBondContact O-N 3.22Å; L560-K562 VanDerWaalsContact O-N 3.13Å; K562-Y564 PolarHBondContact O-N 3.35Å
563C78.9Confident83.4Confident20 Ų20103.2 Ų103.214%0.13551%0.514CS..  trans-9873.6-178.2-68.90000111.2L560 G565 K571 L574L560-C563 WeakPolarHBondContact O-CB 3.45Å; L560-C563 PolarHBondContact O-N 3.28Å; C563-G565 VanDerWaalsContact C-N 3.27Å; C563-G565 PolarHBondContact O-N 3.16Å; C563-K571 HydrophobicContact CB-CG 4.34Å; C563-L574 WeakPolarHBondContact SG-CD1 3.48Å
564Y75.4Confident83.4Confident212 Ų21298.5 Ų98.583%0.83150%0.496SS*.  trans-74-14.6178.6-55.4-77.6000113.9K562K562-Y564 PolarHBondContact O-N 3.35Å
565G73.3Confident83.4Confident48 Ų48100.3 Ų100.350%0.49550%0.503SS..SBendtrans-82.5158.1-179.900000114.8C563 D567 K571C563-G565 VanDerWaalsContact C-N 3.27Å; C563-G565 PolarHBondContact O-N 3.16Å; G565-D567 VanDerWaalsContact C-N 3.29Å; G565-D567 PolarHBondContact O-N 2.87Å; G565-K571 WeakPolarHBondContact O-CE 3.41Å
566G76.6Confident83.6Confident71 Ų71102.8 Ų102.873%0.73251%0.513SS*.  trans-76.6-5.5176.400000115.3V568G566-V568 PolarHBondContact O-N 2.84Å
567D83.2Confident84Confident88 Ų88102.7 Ų102.747%0.47152%0.517SS..  trans-67106.5-177.7-179.38.1000112.1G565 S569G565-D567 VanDerWaalsContact C-N 3.29Å; G565-D567 PolarHBondContact O-N 2.87Å; D567-S569 VanDerWaalsContact C-N 3.26Å; D567-S569 PolarHBondContact O-N 3.25Å; D567-S569 VanDerWaalsContact OD1-CB 3.28Å; D567-S569 WeakPolarHBondContact OD1-CB 3.33Å; D567-S569 PolarHBondContact OD1-N 3.17Å; D567-S569 PolarHBondContact OD1-OG 3.32Å; D567-S569 PolarHBondContact OD2-OG 2.94Å
568V84.4Confident84Confident85 Ų8596.3 Ų96.352%0.51549%0.49SS..Hα-helixtrans-64.7-30.8179.2-179.90000111.5G566 K571 R572G566-V568 PolarHBondContact O-N 2.84Å; V568-K571 PolarHBondContact O-N 2.89Å; V568-R572 HydrophobicContact CG1-CG 4.27Å; V568-R572 WeakPolarHBondContact O-CG 3.3Å; V568-R572 PolarHBondContact O-N 2.65Å
569S85.2Confident84Confident72 Ų7298.9 Ų98.950%0.50350%0.496SS..Hα-helixtrans-65.4-43.7-177.276.70000111.5D567 K571 R572 K573D567-S569 VanDerWaalsContact C-N 3.26Å; D567-S569 PolarHBondContact O-N 3.25Å; D567-S569 VanDerWaalsContact OD1-CB 3.28Å; D567-S569 WeakPolarHBondContact OD1-CB 3.33Å; D567-S569 PolarHBondContact OD1-N 3.17Å; D567-S569 PolarHBondContact OD1-OG 3.32Å; D567-S569 PolarHBondContact OD2-OG 2.94Å; S569-K571 PolarHBondContact O-N 2.67Å; S569-R572 PolarHBondContact O-N 3.22Å; S569-K573 PolarHBondContact O-N 2.93Å
570R83.4Confident84.1Confident164 Ų164103.8 Ų103.862%0.61952%0.516SS*.Hα-helixtrans-64.1-40.4176.8-169.6175.5-178.7175.61.1112.1L574R570-L574 PolarHBondContact O-N 2.96Å
571K86.9Confident84Confident75 Ų75102.6 Ų102.633%0.32652%0.517SS..Hα-helixtrans-63.2-45175.1-64.5-176.6-179.6172.40110.9L560 C563 G565 V568 S569 L574 L575L560-K571 HydrophobicContact CD2-CB 3.88Å; L560-K571 HydrophobicContact CD2-CG 4Å; C563-K571 HydrophobicContact CB-CG 4.34Å; G565-K571 WeakPolarHBondContact O-CE 3.41Å; V568-K571 PolarHBondContact O-N 2.89Å; S569-K571 PolarHBondContact O-N 2.67Å; K571-L574 PolarHBondContact O-N 2.82Å; K571-L575 VanDerWaalsContact O-CG 3.31Å; K571-L575 WeakPolarHBondContact O-CG 3.38Å; K571-L575 PolarHBondContact O-N 2.88Å; K571-L575 VanDerWaalsContact O-N 3.13Å
572R88Confident84Confident164 Ų164102.2 Ų102.262%0.61951%0.506SS*.Hα-helixtrans-59.4-48.3176.6-76.8-178.4179.7178.30.7112.3V568 S569 L574 L575 E576V568-R572 HydrophobicContact CG1-CG 4.27Å; V568-R572 WeakPolarHBondContact O-CG 3.3Å; V568-R572 PolarHBondContact O-N 2.65Å; S569-R572 PolarHBondContact O-N 3.22Å; R572-L574 VanDerWaalsContact C-N 3.29Å; R572-L574 PolarHBondContact O-N 2.89Å; R572-L575 PolarHBondContact O-N 2.81Å; R572-E576 PolarHBondContact O-N 3.42Å
573K87.4Confident83.9Confident159 Ų159100.7 Ų100.769%0.69150%0.499SS*.Hα-helixtrans-56.7-40.1179.9-171.1174.9-176.3173.90113.1S569 K577S569-K573 PolarHBondContact O-N 2.93Å; K573-K577 WeakPolarHBondContact O-CB 3.48Å; K573-K577 PolarHBondContact O-N 2.94Å; K573-K577 VanDerWaalsContact O-N 3.13Å
574L88.2Confident83.8Confident61 Ų61108.4 Ų108.432%0.31953%0.525SS..Hα-helixtrans-71.4-37.6177.4-69172.5000112.6V559 C563 R570 K571 R572 Q578V559-L574 HydrophobicContact CB-CB 4.33Å; V559-L574 HydrophobicContact CG2-CB 4.21Å; C563-L574 WeakPolarHBondContact SG-CD1 3.48Å; R570-L574 PolarHBondContact O-N 2.96Å; K571-L574 PolarHBondContact O-N 2.82Å; R572-L574 VanDerWaalsContact C-N 3.29Å; R572-L574 PolarHBondContact O-N 2.89Å; L574-Q578 WeakPolarHBondContact O-CB 3.48Å; L574-Q578 PolarHBondContact O-N 3.17Å
575L88.7Confident84.1Confident55 Ų55101.9 Ų101.929%0.28850%0.503SS..Hα-helixtrans-68.5-41176.4-70.7172.5000112V559 L560 K571 R572 Q578 K579V559-L575 HydrophobicContact CG2-CD2 4.13Å; L560-L575 HydrophobicContact CD2-CG 4.41Å; K571-L575 VanDerWaalsContact O-CG 3.31Å; K571-L575 WeakPolarHBondContact O-CG 3.38Å; K571-L575 PolarHBondContact O-N 2.88Å; K571-L575 VanDerWaalsContact O-N 3.13Å; R572-L575 PolarHBondContact O-N 2.81Å; L575-Q578 PolarHBondContact O-N 2.98Å; L575-K579 WeakPolarHBondContact O-CB 3.41Å; L575-K579 PolarHBondContact O-N 3.4Å
576E88.5Confident84.3Confident119 Ų119103.5 Ų103.556%0.55650%0.497SS*.Hα-helixtrans-62-48.1175.1-76.9175.7170.400111R572 Q578 K579 E580R572-E576 PolarHBondContact O-N 3.42Å; E576-Q578 VanDerWaalsContact C-N 3.29Å; E576-Q578 PolarHBondContact O-N 3.38Å; E576-K579 WeakPolarHBondContact O-CB 3.32Å; E576-K579 PolarHBondContact O-N 3.32Å; E576-E580 PolarHBondContact O-N 2.75Å
577K87.8Confident84.1Confident160 Ų160107.2 Ų107.270%0.69650%0.495SS*.Hα-helixtrans-58.8-40.2175.5-168175.4-175.9177.20112.4K573 G581K573-K577 WeakPolarHBondContact O-CB 3.48Å; K573-K577 PolarHBondContact O-N 2.94Å; K573-K577 VanDerWaalsContact O-N 3.13Å; K577-G581 PolarHBondContact O-N 3.1Å; K577-G581 VanDerWaalsContact O-N 3.07Å
578Q85.7Confident83.6Confident32 Ų32109.3 Ų109.315%0.1551%0.505CS..Hα-helixtrans-66-40.6174.4-178.4171.664.300111.8K557 V559 L574 L575 E576 K582K557-Q578 PolarHBondContact O-NE2 3.06Å; V559-Q578 HydrophobicContact CG1-CB 4.41Å; L574-Q578 WeakPolarHBondContact O-CB 3.48Å; L574-Q578 PolarHBondContact O-N 3.17Å; L575-Q578 PolarHBondContact O-N 2.98Å; E576-Q578 VanDerWaalsContact C-N 3.29Å; E576-Q578 PolarHBondContact O-N 3.38Å; Q578-K582 WeakPolarHBondContact O-CG 3.28Å; Q578-K582 PolarHBondContact O-N 2.75Å
579K86.9Confident82.6Confident163 Ų163106.1 Ų106.171%0.70949%0.49SS*.Hα-helixtrans-66.1-45.3179.7-171.7-179.8179.7-176.30111.7L575 E576 K582 K583L575-K579 WeakPolarHBondContact O-CB 3.41Å; L575-K579 PolarHBondContact O-N 3.4Å; E576-K579 WeakPolarHBondContact O-CB 3.32Å; E576-K579 PolarHBondContact O-N 3.32Å; K579-K582 PolarHBondContact O-N 2.97Å; K579-K583 PolarHBondContact O-N 3.05Å
580E85.9Confident81.9Confident142 Ų142106.9 Ų106.966%0.66450%0.495SS*.Hα-helixtrans-63.3-45.2175.7-73.2-177.216300111.9E576 K582 K583 R584E576-E580 PolarHBondContact O-N 2.75Å; E580-K582 VanDerWaalsContact C-N 3.31Å; E580-K582 PolarHBondContact O-N 3.32Å; E580-K583 PolarHBondContact O-N 3.32Å; E580-K583 VanDerWaalsContact O-N 3.17Å; E580-R584 PolarHBondContact O-N 3.04Å
581G83.1Confident81.5Confident31 Ų3199.8 Ų99.832%0.3247%0.469SS..Hα-helixtrans-57.5-44.3176.300000112.2K577 R584 M585K577-G581 PolarHBondContact O-N 3.1Å; K577-G581 VanDerWaalsContact O-N 3.07Å; G581-R584 PolarHBondContact O-N 2.76Å; G581-M585 WeakPolarHBondContact O-CE 3.49Å; G581-M585 WeakPolarHBondContact O-CG 3.45Å; G581-M585 PolarHBondContact O-N 2.94Å
582K83.6Confident80.8Confident44 Ų44104.2 Ų104.219%0.19149%0.491CS..Hα-helixtrans-65.6-39.3175.7-73.6-169.9172.5-158.10113.3Q533 A554 L555 Q578 K579 E580 R584 M585 K586Q533-K582 VanDerWaalsContact O-CE 3.32Å; Q533-K582 WeakPolarHBondContact O-CE 3.19Å; A554-K582 HydrophobicContact CB-CD 4.35Å; L555-K582 VanDerWaalsContact O-CE 3.29Å; L555-K582 WeakPolarHBondContact O-CE 3.36Å; L555-K582 PolarHBondContact O-NZ 3.07Å; Q578-K582 WeakPolarHBondContact O-CG 3.28Å; Q578-K582 PolarHBondContact O-N 2.75Å; K579-K582 PolarHBondContact O-N 2.97Å; E580-K582 VanDerWaalsContact C-N 3.31Å; E580-K582 PolarHBondContact O-N 3.32Å; K582-R584 VanDerWaalsContact C-N 3.35Å; K582-M585 HydrophobicContact CG-CE 4.11Å; K582-M585 PolarHBondContact O-N 3.13Å; K582-K586 WeakPolarHBondContact O-CB 3.46Å; K582-K586 PolarHBondContact O-N 2.84Å
583K81.7Confident80.2Confident150 Ų15097.5 Ų97.565%0.65247%0.468SS*.Hα-helixtrans-62.8-42.6176.3-171.8179.9178.1-174.80111.3K579 E580 K586 Q587K579-K583 PolarHBondContact O-N 3.05Å; E580-K583 PolarHBondContact O-N 3.32Å; E580-K583 VanDerWaalsContact O-N 3.17Å; K583-K586 PolarHBondContact O-N 3.31Å; K583-Q587 PolarHBondContact O-N 2.86Å
584R77Confident79.6Confident181 Ų18191.7 Ų91.768%0.68345%0.447SS*.Hα-helixtrans-64.9-44.3176.3-172.7177.6178.2-179.5-1111.9E580 G581 K582 K586 Q587 I588E580-R584 PolarHBondContact O-N 3.04Å; G581-R584 PolarHBondContact O-N 2.76Å; K582-R584 VanDerWaalsContact C-N 3.35Å; R584-K586 VanDerWaalsContact C-N 3.32Å; R584-K586 PolarHBondContact O-N 2.86Å; R584-Q587 PolarHBondContact O-N 2.74Å; R584-I588 HydrophobicContact CG-CD1 4.26Å
585M80.9Confident78.7Confident76 Ų7692.3 Ų92.337%0.37445%0.449SS..Hα-helixtrans-62.9-38.2176.9-73.3-175.8-69.700112.1Q533 F534 G581 K582 Q587 I588 G589Q533-M585 HydrophobicContact CB-CE 3.74Å; Q533-M585 HydrophobicContact CB-SD 3.67Å; Q533-M585 HydrophobicContact CG-SD 4.41Å; F534-M585 HydrophobicContact CB-CB 4.23Å; F534-M585 HydrophobicContact CD1-CB 3.95Å; F534-M585 HydrophobicContact CG-CB 4.43Å; G581-M585 WeakPolarHBondContact O-CE 3.49Å; G581-M585 WeakPolarHBondContact O-CG 3.45Å; G581-M585 PolarHBondContact O-N 2.94Å; K582-M585 HydrophobicContact CG-CE 4.11Å; K582-M585 PolarHBondContact O-N 3.13Å; M585-Q587 VanDerWaalsContact C-N 3.28Å; M585-Q587 PolarHBondContact O-N 3.06Å; M585-I588 PolarHBondContact O-N 3.13Å; M585-G589 WeakPolarHBondContact O-CA 3.36Å; M585-G589 PolarHBondContact O-N 3.34Å
586K76.8Confident77.7Confident81 Ų8197 Ų9735%0.35247%0.469SS..Hα-helixtrans-61.8-33.1177.6-173.1173.2-179.3172.60113.7N498 F534 K582 K583 R584N498-K586 PolarHBondContact ND2-O 2.82Å; F534-K586 HydrophobicContact CB-CB 4.1Å; F534-K586 HydrophobicContact CD2-CB 4.25Å; F534-K586 HydrophobicContact CD2-CG 4.3Å; F534-K586 HydrophobicContact CG-CB 4.39Å; K582-K586 WeakPolarHBondContact O-CB 3.46Å; K582-K586 PolarHBondContact O-N 2.84Å; K583-K586 PolarHBondContact O-N 3.31Å; R584-K586 VanDerWaalsContact C-N 3.32Å; R584-K586 PolarHBondContact O-N 2.86Å
587Q73.1Confident77.1Confident150 Ų15091.4 Ų91.470%0.70144%0.443SS*.Hα-helixtrans-77.5-21.7-178.1-73.4-179.9-35.900114K583 R584 M585K583-Q587 PolarHBondContact O-N 2.86Å; R584-Q587 PolarHBondContact O-N 2.74Å; M585-Q587 VanDerWaalsContact C-N 3.28Å; M585-Q587 PolarHBondContact O-N 3.06Å
588I71.9Confident76.2Confident131 Ų13184.2 Ų84.267%0.67241%0.412SS*.Hα-helixtrans-115.2-21-172.8-55.7168.6000111.1R584 M585 S590R584-I588 HydrophobicContact CG-CD1 4.26Å; M585-I588 PolarHBondContact O-N 3.13Å; I588-S590 PolarHBondContact O-N 2.9Å
589G64.4Low75.2Confident19 Ų1985.6 Ų85.620%0.19642%0.419CS..  trans-76115-175.100000112.4N498 M585N498-G589 PolarHBondContact ND2-O 3.41Å; M585-G589 WeakPolarHBondContact O-CA 3.36Å; M585-G589 PolarHBondContact O-N 3.34Å
590S71.2Confident74.3Confident87 Ų8778.9 Ų78.961%0.60839%0.393SS*.  trans-73.7151.3157.254.50000109.5I588I588-S590 PolarHBondContact O-N 2.9Å
591V74.8Confident73.5Confident15 Ų1572.5 Ų72.59%0.09136%0.364CS..  trans-112.8111.3176.7-179.80000107.5N498 I529 F534 V536N498-V591 HydrophobicContact CB-CG2 4.12Å; I529-V591 HydrophobicContact CG2-CG1 3.86Å; F534-V591 HydrophobicContact CE2-CG2 4.03Å; F534-V591 HydrophobicContact CZ-CG2 3.98Å; V536-V591 HydrophobicContact CB-CG2 4.32Å; V536-V591 HydrophobicContact CG1-CB 4.41Å; V536-V591 HydrophobicContact CG1-CG1 4.2Å; V536-V591 HydrophobicContact CG1-CG2 3.73Å; V536-V591 HydrophobicContact CG2-CG2 3.61Å
592E71.4Confident72.5Confident168 Ų16872.9 Ų72.979%0.78536%0.359SS*.PPolyproline II helixtrans-73.9129.7172.4-163.7173.7-173.200109.2
593V76.1Confident71.4Confident23 Ų2377.8 Ų77.814%0.13938%0.38CS..PPolyproline II helixtrans-92.1118179.9-174.20000107.8L497 A597 F598L497-V593 HydrophobicContact CD1-CB 4.45Å; L497-V593 HydrophobicContact CD1-CG2 3.1Å; V593-A597 HydrophobicContact CG1-CB 3.9Å; V593-F598 HydrophobicContact CB-CD2 4.42Å; V593-F598 HydrophobicContact CB-CE2 3.54Å; V593-F598 HydrophobicContact CB-CZ 3.89Å; V593-F598 HydrophobicContact CG1-CD2 3.83Å; V593-F598 HydrophobicContact CG1-CE2 3.38Å; V593-F598 HydrophobicContact CG1-CZ 3.81Å; V593-F598 HydrophobicContact CG2-CZ 4.47Å
594P74.6Confident70.2Confident38 Ų3871.9 Ų71.925%0.24736%0.355CS..PPolyproline II helixtrans-59.3145.1175.1-19.630.4000110.8P530 E596 A597P530-P594 VanDerWaalsContact CD-CG 3.47Å; P530-P594 HydrophobicContact CG-CG 4.33Å; P594-E596 VanDerWaalsContact C-N 3.28Å; P594-E596 PolarHBondContact O-N 3.28Å; P594-A597 HydrophobicContact CB-CB 4.47Å; P594-A597 WeakPolarHBondContact O-CA 3.37Å; P594-A597 WeakPolarHBondContact O-CB 3.29Å; P594-A597 PolarHBondContact O-N 3.25Å
595Q68.8Low68.8Low74 Ų7466.5 Ų66.535%0.34634%0.34SS..Hα-helixtrans-60.6-39179.4-62.4176.9-19.400112.3I373 A597 F598 M599I373-Q595 HydrophobicContact CD1-CB 4.17Å; I373-Q595 HydrophobicContact CD1-CG 3.62Å; I373-Q595 HydrophobicContact CG1-CG 4.44Å; Q595-A597 PolarHBondContact O-N 2.87Å; Q595-A597 VanDerWaalsContact O-N 3.11Å; Q595-F598 WeakPolarHBondContact O-CB 3.41Å; Q595-F598 PolarHBondContact O-N 3.47Å; Q595-M599 PolarHBondContact O-N 3.27Å; Q595-M599 VanDerWaalsContact O-N 3.16Å
596E68.6Low66.8Low154 Ų15471.1 Ų71.172%0.7236%0.361SS*.Hα-helixtrans-53.7-31.2172-62.5175.5-17400112.4P594 A600P594-E596 VanDerWaalsContact C-N 3.28Å; P594-E596 PolarHBondContact O-N 3.28Å; E596-A600 WeakPolarHBondContact O-CB 3.47Å; E596-A600 PolarHBondContact O-N 3.21Å
597A74.1Confident65.1Low0 Ų073 Ų730%037%0.374CS..Hα-helixtrans-70.6-35.5177.500000112.6L525 L528 V593 P594 Q595 V601L525-A597 HydrophobicContact CD2-CB 4.21Å; L528-A597 HydrophobicContact CB-CB 3.74Å; L528-A597 HydrophobicContact CD1-CB 4.26Å; V593-A597 HydrophobicContact CG1-CB 3.9Å; P594-A597 HydrophobicContact CB-CB 4.47Å; P594-A597 WeakPolarHBondContact O-CA 3.37Å; P594-A597 WeakPolarHBondContact O-CB 3.29Å; P594-A597 PolarHBondContact O-N 3.25Å; Q595-A597 PolarHBondContact O-N 2.87Å; Q595-A597 VanDerWaalsContact O-N 3.11Å; A597-V601 WeakPolarHBondContact O-CB 3.48Å; A597-V601 WeakPolarHBondContact O-CG2 3.44Å; A597-V601 PolarHBondContact O-N 2.98Å
598F70.2Confident63.2Low10 Ų1074.1 Ų74.14%0.04438%0.38CS..Hα-helixtrans-66-53.7172.5-70.1-87.5000110.2A342 L343 I373 V502 A504 L505 V593 Q595 A600 V601 L602A342-F598 HydrophobicContact CB-CZ 4.24Å; L343-F598 HydrophobicContact CD2-CD2 4.29Å; L343-F598 HydrophobicContact CD2-CE1 4.29Å; L343-F598 HydrophobicContact CD2-CE2 3.92Å; L343-F598 HydrophobicContact CD2-CZ 3.93Å; I373-F598 HydrophobicContact CG2-CB 4.23Å; V502-F598 HydrophobicContact CG1-CE1 3.91Å; V502-F598 HydrophobicContact CG1-CZ 4.04Å; A504-F598 HydrophobicContact CB-CD1 4.49Å; A504-F598 HydrophobicContact CB-CE1 3.91Å; L505-F598 HydrophobicContact CD1-CE1 4.2Å; L505-F598 HydrophobicContact CD2-CD1 3.5Å; L505-F598 VanDerWaalsContact CD2-CD1 3.5Å; L505-F598 HydrophobicContact CD2-CE1 3.87Å; L505-F598 HydrophobicContact CD2-CG 4.43Å; L505-F598 HydrophobicContact CG-CD1 3.87Å; L505-F598 HydrophobicContact CG-CE1 3.67Å; V593-F598 HydrophobicContact CB-CD2 4.42Å; V593-F598 HydrophobicContact CB-CE2 3.54Å; V593-F598 HydrophobicContact CB-CZ 3.89Å; V593-F598 HydrophobicContact CG1-CD2 3.83Å; V593-F598 HydrophobicContact CG1-CE2 3.38Å; V593-F598 HydrophobicContact CG1-CZ 3.81Å; V593-F598 HydrophobicContact CG2-CZ 4.47Å; Q595-F598 WeakPolarHBondContact O-CB 3.41Å; Q595-F598 PolarHBondContact O-N 3.47Å; F598-A600 VanDerWaalsContact C-N 3.33Å; F598-A600 PolarHBondContact O-N 2.94Å; F598-V601 PolarHBondContact O-N 3.2Å; F598-L602 WeakPolarHBondContact O-CG 3.43Å; F598-L602 PolarHBondContact O-N 2.94Å
599M64.7Low61.1Low60 Ų6073.3 Ų73.330%0.29638%0.383SS..Hα-helixtrans-57.8-44.5-177.7-65.3-56.6-69.800112.7Q595 V601 L602 K603Q595-M599 PolarHBondContact O-N 3.27Å; Q595-M599 VanDerWaalsContact O-N 3.16Å; M599-V601 VanDerWaalsContact C-N 3.29Å; M599-V601 PolarHBondContact O-N 3.03Å; M599-L602 PolarHBondContact O-N 3.43Å; M599-K603 PolarHBondContact O-N 3.13Å
600A67.9Low59.5Low22 Ų2282 Ų8218%0.18242%0.416CS..Hα-helixtrans-76.4-16.1-178.900000113.5L528 E596 F598 M604L528-A600 HydrophobicContact CD1-CB 3.39Å; E596-A600 WeakPolarHBondContact O-CB 3.47Å; E596-A600 PolarHBondContact O-N 3.21Å; F598-A600 VanDerWaalsContact C-N 3.33Å; F598-A600 PolarHBondContact O-N 2.94Å; A600-M604 WeakPolarHBondContact O-CG 3.31Å
601V69.8Low57.4Low9 Ų987.7 Ų87.76%0.05543%0.429CS..Hα-helixtrans-76.2-27.6170167.20000111.8L505 I521 L525 A597 F598 M599 M604L505-V601 HydrophobicContact CD2-CB 4.46Å; L505-V601 HydrophobicContact CD2-CG1 4.15Å; I521-V601 HydrophobicContact CB-CG1 4.45Å; I521-V601 HydrophobicContact CG1-CG1 4.09Å; I521-V601 HydrophobicContact CG2-CG1 3.79Å; I521-V601 HydrophobicContact CG2-CG2 4.43Å; L525-V601 HydrophobicContact CD2-CG2 3.59Å; L525-V601 HydrophobicContact CG-CG2 3.75Å; A597-V601 WeakPolarHBondContact O-CB 3.48Å; A597-V601 WeakPolarHBondContact O-CG2 3.44Å; A597-V601 PolarHBondContact O-N 2.98Å; F598-V601 PolarHBondContact O-N 3.2Å; M599-V601 VanDerWaalsContact C-N 3.29Å; M599-V601 PolarHBondContact O-N 3.03Å; V601-M604 VanDerWaalsContact CA-SD 3.54Å; V601-M604 HydrophobicContact CB-SD 4.09Å; V601-M604 HydrophobicContact CG1-SD 4.17Å; V601-M604 HydrophobicContact CG2-SD 3.91Å; V601-M604 WeakPolarHBondContact O-CB 3.41Å; V601-M604 WeakPolarHBondContact O-CG 3.28Å
602L62.2Low55.2Low38 Ų38100.1 Ų100.120%0.19948%0.482CS..Hα-helixtrans-75.4-33.2175.9-58.9-175.8000112.7T374 A376 F598 M599 M604T374-L602 WeakPolarHBondContact O-CD1 3.33Å; A376-L602 HydrophobicContact CB-CD2 3.5Å; A376-L602 VanDerWaalsContact N-CD2 3.34Å; F598-L602 WeakPolarHBondContact O-CG 3.43Å; F598-L602 PolarHBondContact O-N 2.94Å; M599-L602 PolarHBondContact O-N 3.43Å; L602-M604 PolarHBondContact O-N 3.36Å
603K60.1Low54.4Low148 Ų14896.7 Ų96.764%0.64347%0.467SS*.THydrogen-bonded Turntrans-83.419.5179.7-61.4-173.4177.9-168.30114.4M599 D605M599-K603 PolarHBondContact O-N 3.13Å; K603-D605 PolarHBondContact O-N 2.65Å
604M55.1Low53.3Low25 Ų25100.6 Ų100.612%0.12348%0.484CS..THydrogen-bonded Turntrans-8569.5-163.2-74.6-16770.400114.9A520 I521 K524 A600 V601 L602A520-M604 VanDerWaalsContact C-CE 3.41Å; A520-M604 HydrophobicContact CB-CE 4.07Å; A520-M604 WeakPolarHBondContact O-CE 3.2Å; I521-M604 HydrophobicContact CG1-SD 4.33Å; K524-M604 HydrophobicContact CB-CE 3.07Å; K524-M604 HydrophobicContact CB-SD 3.39Å; K524-M604 WeakPolarHBondContact CB-SD 3.38Å; K524-M604 HydrophobicContact CD-CE 3.95Å; K524-M604 HydrophobicContact CD-CG 4.41Å; K524-M604 HydrophobicContact CD-SD 4.33Å; K524-M604 HydrophobicContact CG-CE 3.66Å; K524-M604 HydrophobicContact CG-CG 4.19Å; K524-M604 HydrophobicContact CG-SD 3.61Å; A600-M604 WeakPolarHBondContact O-CG 3.31Å; V601-M604 VanDerWaalsContact CA-SD 3.54Å; V601-M604 HydrophobicContact CB-SD 4.09Å; V601-M604 HydrophobicContact CG1-SD 4.17Å; V601-M604 HydrophobicContact CG2-SD 3.91Å; V601-M604 WeakPolarHBondContact O-CB 3.41Å; V601-M604 WeakPolarHBondContact O-CG 3.28Å; L602-M604 PolarHBondContact O-N 3.36Å
605D47.6Very low52.1Low69 Ų69104.1 Ų104.137%0.36950%0.497SS..THydrogen-bonded Turntrans-164.736.3150.5-98.4-17.5000112.8D463 K467 K603 D607D463-D605 WeakPolarHBondContact OD2-CB 3.25Å; K467-D605 VanDerWaalsContact CE-CB 3.44Å; K467-D605 VanDerWaalsContact NZ-CB 3.32Å; K467-D605 IonicContact NZ-OD2 2.87Å; K467-D605 PolarHBondContact NZ-OD2 3.41Å; K603-D605 PolarHBondContact O-N 2.65Å; D605-D607 PolarHBondContact O-N 2.89Å
606E40.4Very low51.1Low172 Ų172105.8 Ų105.880%0.80451%0.506SS*.  trans-60.493.5153.8-77.3-175.5176.500107.9E608E606-E608 VanDerWaalsContact C-N 3.31Å; E606-E608 PolarHBondContact O-N 3.35Å
607D41.4Very low50Low120 Ų120102.8 Ų102.864%0.64249%0.493SS*.  trans-56.494.4170.1-87.5-45.7000107.9D605 P609D605-D607 PolarHBondContact O-N 2.89Å; D607-P609 WeakPolarHBondContact O-CD 3.39Å
608E32.4Very low48.4Very low174 Ų174109.7 Ų109.781%0.81353%0.526SS*.  trans-55.7123.4160-92.1-167.516700106.1E606 K610E606-E608 VanDerWaalsContact C-N 3.31Å; E606-E608 PolarHBondContact O-N 3.35Å; E608-K610 PolarHBondContact O-N 3.05Å
609P28.1Very low46.9Very low115 Ų115116.8 Ų116.875%0.74756%0.56SS**  trans-58.6114.8-179.222.3-30.7000107.3D607 K611D607-P609 WeakPolarHBondContact O-CD 3.39Å; P609-K611 VanDerWaalsContact C-N 3.32Å; P609-K611 PolarHBondContact O-N 3.43Å
610K29.9Very low45.5Very low202 Ų202121.2 Ų121.288%0.87858%0.58SS**  trans-53.6100.4172.1-78178.3179.7165.20107.3E608 K612E608-K610 PolarHBondContact O-N 3.05Å; K610-K612 PolarHBondContact O-N 3.44Å
611K27Very low43.7Very low206 Ų206129.4 Ų129.490%0.89661%0.614SS**  trans-60106.7165-77.6-176.7177.2175.70106.2P609P609-K611 VanDerWaalsContact C-N 3.32Å; P609-K611 PolarHBondContact O-N 3.43Å
612K30.1Very low41.3Very low275 Ų275140.4 Ų140.4100%1.19666%0.664SS**  trans-65.50161-87.9-175175.5175.40110.1K610K610-K612 PolarHBondContact O-N 3.44Å

Retrieved 612 of 612 residues in 200.4 ms (Link to these results)

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