A0A087X8W8_POEFO Loading...

AP-4 complex subunit mu-1

Component of the adaptor protein complex 4 (AP-4). Adaptor protein complexes are vesicle coat components involved both in vesicle formation and cargo selection. They control the vesicular transport of proteins in different trafficking pathways. AP-4 forms a non clathrin-associated coat on vesicles departing the trans-Golgi network (TGN) and may be involved in the targeting of proteins from the trans-Golgi network (TGN) to the endosomal-lysosomal system. It is also involved in protein sorting to the basolateral membrane in epithelial cells and the proper asymmetric localization of somatodendritic proteins in neurons. Within AP-4, the mu-type subunit AP4M1 is directly involved in the recognition and binding of tyrosine-based sorting signals found in the cytoplasmic part of cargos. The adaptor protein complex 4 (AP-4) may also recognize other types of sorting signal.

AlphaFold DB , UniProt , Accession A0A087X8W8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 442 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
1M63.4Low88.5Confident75 Ų7516.1 Ų16.137%0.3699%0.091SC..  0115.50176.4-178.716800106.7I3 S78 I79 F82 Y121 V122M1-I3 HydrophobicContact CE-CD1 3.63Å; M1-I3 HydrophobicContact CE-CG1 4.14Å; M1-S78 WeakPolarHBondContact CE-O 3.26Å; M1-S78 WeakPolarHBondContact SD-CB 3.29Å; M1-I79 HydrophobicContact CE-CB 4.31Å; M1-I79 HydrophobicContact CE-CG1 3.8Å; M1-I79 HydrophobicContact CG-CG1 4.32Å; M1-F82 HydrophobicContact CE-CB 3.69Å; M1-F82 HydrophobicContact CE-CG 4.12Å; M1-Y121 VanDerWaalsContact O-CD1 3.32Å; M1-Y121 WeakPolarHBondContact O-CD1 3.47Å; M1-V122 HydrophobicContact CE-CG2 3.6Å; M1-V122 HydrophobicContact SD-CG2 4.13Å
2M81.4Confident88.4Confident39 Ų3927.3 Ų27.319%0.19214%0.138CC..  trans-133.3102.2-171.5177.5168.2153.700108.3R22 T70 S74M2-R22 HydrophobicContact CE-CG 4.31Å; M2-R22 VanDerWaalsContact CG-NH2 3.31Å; M2-R22 PolarHBondContact SD-NH2 2.69Å; M2-T70 WeakPolarHBondContact O-CB 2.8Å; M2-T70 PolarHBondContact O-OG1 2.83Å; M2-S74 PolarHBondContact N-OG 3.46Å
3I90.2Very high88.1Confident0 Ų026.5 Ų26.50%014%0.14CC..  trans-85.6123.2174.4-66.5170.9000107.8M1 Q5 A68 I79 F82 L117 G120M1-I3 HydrophobicContact CE-CD1 3.63Å; M1-I3 HydrophobicContact CE-CG1 4.14Å; I3-Q5 WeakPolarHBondContact CG2-O 3.46Å; I3-A68 HydrophobicContact CD1-CB 4.48Å; I3-A68 HydrophobicContact CG1-CB 4.44Å; I3-A68 HydrophobicContact CG2-CB 4.01Å; I3-I79 HydrophobicContact CG1-CG1 4.26Å; I3-F82 HydrophobicContact CD1-CD1 3.44Å; I3-F82 VanDerWaalsContact CD1-CD1 3.44Å; I3-F82 HydrophobicContact CD1-CE1 3.66Å; I3-F82 HydrophobicContact CD1-CG 4.18Å; I3-L117 HydrophobicContact CD1-CD1 4.44Å; I3-L117 HydrophobicContact CD1-CD2 4.09Å; I3-G120 PolarHBondContact N-O 3.4Å; I3-G120 WeakPolarHBondContact O-CA 3.45Å
4S90.4Very high88.3Confident4 Ų430 Ų303%0.02816%0.159CC..  trans-83.3-53.5178.9-58.80000110.7Y21 T69S4-Y21 PolarHBondContact O-N 3.39Å; S4-T69 PolarHBondContact N-O 3.26Å
5Q91.6Very high88.4Confident0 Ų034.5 Ų34.50%018%0.179CC..EExtended strand (participates in β ladder)trans-132.8154.1179.2-53.6151.5-60.200110.1I3 Y18 K19 D20 A25 A68 T69I3-Q5 WeakPolarHBondContact CG2-O 3.46Å; Q5-Y18 HydrophobicContact CB-CE2 4.45Å; Q5-Y18 PolarHBondContact NE2-OH 3.13Å; Q5-K19 WeakPolarHBondContact CA-O 3.44Å; Q5-D20 HydrophobicContact CG-CB 4.25Å; Q5-A25 HydrophobicContact CG-CB 4.23Å; Q5-A68 CarbonylContact O-C 3.53Å; Q5-A68 VanDerWaalsContact O-CA 3.29Å; Q5-A68 WeakPolarHBondContact O-CA 3.44Å; Q5-T69 VanDerWaalsContact CB-OG1 3.29Å; Q5-T69 WeakPolarHBondContact CB-OG1 3.24Å; Q5-T69 PolarHBondContact N-OG1 3.37Å; Q5-T69 PolarHBondContact O-N 3.24Å; Q5-T69 PolarHBondContact OE1-OG1 2.87Å
6L94Very high88.7Confident1 Ų134 Ų341%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-132.3131.9173.3-174.687000108.9K19 Y21 V67 A68 F82 L83 L86 L113 L117L6-K19 PolarHBondContact N-O 3.35Å; L6-K19 PolarHBondContact O-N 3.15Å; L6-Y21 HydrophobicContact CB-CE2 3.88Å; L6-V67 WeakPolarHBondContact CA-O 3.35Å; L6-A68 HydrophobicContact CD1-CB 4.09Å; L6-F82 HydrophobicContact CD1-CE1 4.2Å; L6-L83 HydrophobicContact CD1-CD2 3.49Å; L6-L83 VanDerWaalsContact CD1-CD2 3.49Å; L6-L86 HydrophobicContact CD1-CD2 4.21Å; L6-L86 HydrophobicContact CD2-CD2 3.59Å; L6-L86 HydrophobicContact CG-CD2 4.48Å; L6-L113 HydrophobicContact CD2-CD1 3.93Å; L6-L113 HydrophobicContact CD2-CD2 3.23Å; L6-L113 HydrophobicContact CD2-CG 4.22Å; L6-L117 HydrophobicContact CD2-CD1 4.45Å
7F94.6Very high89.1Confident0 Ų032.1 Ų32.10%017%0.166CC..EExtended strand (participates in β ladder)trans-144.9154.1174.653-89000112.6L9 I17 Y18 V29 I30 F33 F56 V67 T69F7-L9 HydrophobicContact CD2-CD1 4.04Å; F7-L9 HydrophobicContact CD2-CD2 3.92Å; F7-L9 HydrophobicContact CD2-CG 3.83Å; F7-L9 HydrophobicContact CE2-CD1 3.93Å; F7-L9 HydrophobicContact CE2-CG 4.24Å; F7-I17 CarbonylContact C-O 3.57Å; F7-I17 WeakPolarHBondContact CA-O 3.44Å; F7-I17 VanDerWaalsContact CB-O 3.24Å; F7-I17 WeakPolarHBondContact CB-O 3.5Å; F7-Y18 HydrophobicContact CB-CD2 4.05Å; F7-Y18 HydrophobicContact CD1-CD2 4.37Å; F7-V29 HydrophobicContact CE1-CG1 3.77Å; F7-V29 HydrophobicContact CZ-CG1 4.2Å; F7-I30 HydrophobicContact CD1-CG1 4.49Å; F7-I30 HydrophobicContact CD2-CG1 4.21Å; F7-I30 HydrophobicContact CE2-CG1 4.46Å; F7-I30 HydrophobicContact CG-CG1 4.21Å; F7-F33 HydrophobicContact CE2-CB 4.19Å; F7-F33 AromaticContact CE2-CD1 3.94Å; F7-F33 HydrophobicContact CE2-CD1 3.94Å; F7-F33 HydrophobicContact CE2-CG 4.05Å; F7-F33 HydrophobicContact CZ-CB 3.99Å; F7-F33 HydrophobicContact CZ-CD1 4.46Å; F7-F33 HydrophobicContact CZ-CG 4.11Å; F7-F56 HydrophobicContact CZ-CD1 4.19Å; F7-F56 HydrophobicContact CZ-CE1 4.19Å; F7-V67 HydrophobicContact CD1-CB 4.39Å; F7-V67 HydrophobicContact CD2-CB 3.72Å; F7-V67 HydrophobicContact CD2-CG1 4.43Å; F7-V67 HydrophobicContact CD2-CG2 3.92Å; F7-V67 HydrophobicContact CE1-CB 4.08Å; F7-V67 HydrophobicContact CE1-CG1 3.92Å; F7-V67 HydrophobicContact CE2-CB 3.37Å; F7-V67 HydrophobicContact CE2-CG1 3.63Å; F7-V67 HydrophobicContact CE2-CG2 3.52Å; F7-V67 HydrophobicContact CG-CB 4.23Å; F7-V67 HydrophobicContact CZ-CB 3.57Å; F7-V67 HydrophobicContact CZ-CG1 3.33Å; F7-V67 HydrophobicContact CZ-CG2 4.16Å; F7-V67 PolarHBondContact N-O 2.82Å; F7-V67 PolarHBondContact O-N 2.79Å; F7-T69 HydrophobicContact CE1-CG2 4Å
8I95.4Very high89.3Confident1 Ų133.8 Ų33.81%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-121.7125.4177.8-51.2172.9000108.2L16 I17 L64 Y65 W66 I102I8-L16 HydrophobicContact CG2-CD1 4.47Å; I8-L16 WeakPolarHBondContact O-CB 3.29Å; I8-L16 PolarHBondContact O-N 3.43Å; I8-I17 HydrophobicContact CB-CB 4.12Å; I8-I17 HydrophobicContact CD1-CB 4.05Å; I8-I17 HydrophobicContact CD1-CG1 4.09Å; I8-I17 HydrophobicContact CD1-CG2 4.45Å; I8-I17 HydrophobicContact CG1-CB 4.1Å; I8-I17 PolarHBondContact N-O 2.97Å; I8-I17 PolarHBondContact O-N 2.92Å; I8-L64 HydrophobicContact CG2-CB 4.25Å; I8-L64 HydrophobicContact CG2-CD1 4.44Å; I8-Y65 CarbonylContact C-O 3.59Å; I8-Y65 VanDerWaalsContact CA-O 3.28Å; I8-Y65 WeakPolarHBondContact CA-O 3.43Å; I8-W66 HydrophobicContact CD1-CD2 4.38Å; I8-W66 HydrophobicContact CD1-CE3 3.71Å; I8-W66 HydrophobicContact CD1-CH2 3.69Å; I8-W66 HydrophobicContact CD1-CZ2 4.35Å; I8-W66 HydrophobicContact CD1-CZ3 3.34Å; I8-W66 HydrophobicContact CG1-CD2 4.31Å; I8-W66 HydrophobicContact CG1-CE3 3.87Å; I8-W66 HydrophobicContact CG1-CZ3 4.04Å; I8-I102 HydrophobicContact CD1-CD1 4.09Å; I8-I102 HydrophobicContact CG2-CD1 3.71Å
9L94Very high89.5Confident0 Ų033.4 Ų33.40%017%0.168CC..EExtended strand (participates in β ladder)trans-116.8149.5179.9-48.4177.6000111.8F7 D14 H15 I30 F33 L64 Y65F7-L9 HydrophobicContact CD2-CD1 4.04Å; F7-L9 HydrophobicContact CD2-CD2 3.92Å; F7-L9 HydrophobicContact CD2-CG 3.83Å; F7-L9 HydrophobicContact CE2-CD1 3.93Å; F7-L9 HydrophobicContact CE2-CG 4.24Å; L9-D14 CarbonylContact C-O 3.6Å; L9-D14 VanDerWaalsContact CA-O 3.28Å; L9-D14 WeakPolarHBondContact CA-O 3.37Å; L9-H15 HydrophobicContact CD2-CB 4.34Å; L9-I30 HydrophobicContact CD1-CG2 4.06Å; L9-I30 HydrophobicContact CD2-CG2 3.6Å; L9-I30 HydrophobicContact CG-CG2 4.49Å; L9-F33 HydrophobicContact CD1-CD1 3.77Å; L9-F33 HydrophobicContact CD1-CE1 4.13Å; L9-L64 WeakPolarHBondContact O-CA 3.41Å; L9-Y65 PolarHBondContact N-O 2.84Å; L9-Y65 PolarHBondContact O-N 3.29Å
10S91.9Very high89.6Confident0 Ų034.2 Ų34.20%017%0.173CC..  trans-66.4165.1166.988.30000110.7K12 G13 D14S10-K12 PolarHBondContact O-N 2.75Å; S10-K12 VanDerWaalsContact O-N 3.08Å; S10-K12 PolarHBondContact OG-N 2.93Å; S10-G13 PolarHBondContact O-N 3.37Å; S10-G13 PolarHBondContact OG-N 2.92Å; S10-D14 PolarHBondContact N-O 3.02Å; S10-D14 WeakPolarHBondContact OG-CB 3.45Å; S10-D14 PolarHBondContact OG-N 3.43Å; S10-D14 PolarHBondContact OG-OD2 3.12Å
11S86.6Confident89.6Confident57 Ų5733.6 Ų33.640%0.39917%0.169SC..THydrogen-bonded Turntrans-58.4-18.8171.360.50000114.1
12K87.5Confident90.7Very high150 Ų15031.7 Ų31.765%0.65216%0.157SC*.THydrogen-bonded Turntrans-98.30.9179-57.6176.9-177.2171.10113.4S10 Y34S10-K12 PolarHBondContact O-N 2.75Å; S10-K12 VanDerWaalsContact O-N 3.08Å; S10-K12 PolarHBondContact OG-N 2.93Å; K12-Y34 WeakPolarHBondContact CA-OH 3.49Å; K12-Y34 PolarHBondContact O-OH 2.94Å
13G84.9Confident90.6Very high17 Ų1732.8 Ų32.818%0.17518%0.178CC..  trans89.35.5-178.500000114.6S10 H15 Y34S10-G13 PolarHBondContact O-N 3.37Å; S10-G13 PolarHBondContact OG-N 2.92Å; G13-H15 PolarHBondContact O-N 3.14Å; G13-Y34 VanDerWaalsContact CA-CD2 3.45Å; G13-Y34 VanDerWaalsContact N-CE2 3.31Å
14D89.7Confident89.6Confident76 Ų7639 Ų3941%0.40621%0.207SC..  trans-65.9132177.3-50.6-61.2000110L9 S10 L16L9-D14 CarbonylContact C-O 3.6Å; L9-D14 VanDerWaalsContact CA-O 3.28Å; L9-D14 WeakPolarHBondContact CA-O 3.37Å; S10-D14 PolarHBondContact N-O 3.02Å; S10-D14 WeakPolarHBondContact OG-CB 3.45Å; S10-D14 PolarHBondContact OG-N 3.43Å; S10-D14 PolarHBondContact OG-OD2 3.12Å; D14-L16 PolarHBondContact O-N 2.83Å
15H90.3Very high88.3Confident98 Ų9840 Ų4045%0.45422%0.216SC..EExtended strand (participates in β ladder)trans-75.9113.6178.5167.3-126.1000110.7L9 G13 I17 Y18 I30L9-H15 HydrophobicContact CD2-CB 4.34Å; G13-H15 PolarHBondContact O-N 3.14Å; H15-I17 PolarHBondContact CD2-O 3.11Å; H15-I17 PolarHBondContact NE2-O 2.88Å; H15-Y18 WeakPolarHBondContact NE2-CB 3.45Å; H15-Y18 PolarHBondContact NE2-N 2.71Å; H15-I30 HydrophobicContact CB-CD1 4.4Å
16L93.1Very high87Confident26 Ų2642.5 Ų42.514%0.13624%0.242CC..EExtended strand (participates in β ladder)trans-99.2-47180-55.8178.1000112.2I8 D14 L64 E99 I102 Q103I8-L16 HydrophobicContact CG2-CD1 4.47Å; I8-L16 WeakPolarHBondContact O-CB 3.29Å; I8-L16 PolarHBondContact O-N 3.43Å; D14-L16 PolarHBondContact O-N 2.83Å; L16-L64 HydrophobicContact CD1-CD2 3.67Å; L16-E99 HydrophobicContact CD1-CB 4.5Å; L16-E99 HydrophobicContact CD1-CG 3.97Å; L16-E99 HydrophobicContact CD2-CG 3.96Å; L16-I102 HydrophobicContact CB-CG2 3.89Å; L16-I102 HydrophobicContact CD1-CB 4.45Å; L16-I102 HydrophobicContact CD1-CD1 4.46Å; L16-I102 HydrophobicContact CD1-CG2 4.3Å; L16-Q103 HydrophobicContact CD2-CG 4.09Å
17I95.1Very high85.7Confident1 Ų148.3 Ų48.31%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-138.3137.4180-63-68.4000108.2F7 I8 H15 I102 F106 I109 Y110 L113F7-I17 CarbonylContact C-O 3.57Å; F7-I17 WeakPolarHBondContact CA-O 3.44Å; F7-I17 VanDerWaalsContact CB-O 3.24Å; F7-I17 WeakPolarHBondContact CB-O 3.5Å; I8-I17 HydrophobicContact CB-CB 4.12Å; I8-I17 HydrophobicContact CD1-CB 4.05Å; I8-I17 HydrophobicContact CD1-CG1 4.09Å; I8-I17 HydrophobicContact CD1-CG2 4.45Å; I8-I17 HydrophobicContact CG1-CB 4.1Å; I8-I17 PolarHBondContact N-O 2.97Å; I8-I17 PolarHBondContact O-N 2.92Å; H15-I17 PolarHBondContact CD2-O 3.11Å; H15-I17 PolarHBondContact NE2-O 2.88Å; I17-I102 HydrophobicContact CD1-CG2 4.35Å; I17-I102 HydrophobicContact CG1-CG2 3.78Å; I17-F106 HydrophobicContact CD1-CB 4.34Å; I17-I109 HydrophobicContact CD1-CB 4.4Å; I17-I109 HydrophobicContact CD1-CG2 4.1Å; I17-I109 HydrophobicContact CG1-CG2 4.09Å; I17-I109 HydrophobicContact CG2-CG2 4.5Å; I17-Y110 HydrophobicContact CD1-CD2 4.21Å; I17-Y110 HydrophobicContact CD1-CE2 3.69Å; I17-Y110 HydrophobicContact CG2-CE1 4.12Å; I17-L113 HydrophobicContact CG2-CD1 3.69Å
18Y93.9Very high85.2Confident63 Ų6352.6 Ų52.625%0.24731%0.306CS..EExtended strand (participates in β ladder)trans-143.3133.6170.9169.9-91.9000109Q5 F7 H15 D20 I30 Y110Q5-Y18 HydrophobicContact CB-CE2 4.45Å; Q5-Y18 PolarHBondContact NE2-OH 3.13Å; F7-Y18 HydrophobicContact CB-CD2 4.05Å; F7-Y18 HydrophobicContact CD1-CD2 4.37Å; H15-Y18 WeakPolarHBondContact NE2-CB 3.45Å; H15-Y18 PolarHBondContact NE2-N 2.71Å; Y18-D20 HydrophobicContact CE1-CB 4.02Å; Y18-I30 HydrophobicContact CD2-CD1 3.79Å; Y18-I30 HydrophobicContact CD2-CG1 4.2Å; Y18-I30 HydrophobicContact CE2-CD1 4.47Å; Y18-I30 HydrophobicContact CG-CD1 4.31Å; Y18-Y110 PolarHBondContact N-OH 3Å; Y18-Y110 WeakPolarHBondContact O-CE1 3.39Å; Y18-Y110 PolarHBondContact O-OH 2.8Å
19K92.3Very high84.8Confident27 Ų2753.1 Ų53.112%0.11731%0.309CS..EExtended strand (participates in β ladder)trans-142.4125.8174.8-167.5161.3176.6-176.90109.8Q5 L6 Y21 Y110 L113 D114Q5-K19 WeakPolarHBondContact CA-O 3.44Å; L6-K19 PolarHBondContact N-O 3.35Å; L6-K19 PolarHBondContact O-N 3.15Å; K19-Y21 HydrophobicContact CB-CE2 4.2Å; K19-Y21 HydrophobicContact CD-CE1 3.94Å; K19-Y21 HydrophobicContact CD-CE2 4.36Å; K19-Y21 HydrophobicContact CG-CE1 4.19Å; K19-Y21 HydrophobicContact CG-CE2 4.06Å; K19-Y110 HydrophobicContact CD-CD1 4.4Å; K19-L113 HydrophobicContact CB-CD1 4.39Å; K19-L113 HydrophobicContact CD-CB 3.97Å; K19-L113 HydrophobicContact CD-CD1 4.22Å; K19-D114 WeakPolarHBondContact CE-OD1 3.4Å; K19-D114 VanDerWaalsContact NZ-CA 3.31Å; K19-D114 VanDerWaalsContact NZ-N 3.1Å; K19-D114 IonicContact NZ-OD1 3.7Å; K19-D114 PolarHBondContact NZ-OD1 2.9Å; K19-D114 IonicContact NZ-OD2 3.36Å; K19-D114 PolarHBondContact NZ-OD2 2.74Å
20D91.7Very high84.6Confident49 Ų4954.3 Ų54.326%0.26232%0.315SS..EExtended strand (participates in β ladder)trans-101.6118.9173.1-169.6-11.8000108.6Q5 Y18 R22 G23Q5-D20 HydrophobicContact CG-CB 4.25Å; Y18-D20 HydrophobicContact CE1-CB 4.02Å; D20-R22 PolarHBondContact OD1-N 3.33Å; D20-G23 VanDerWaalsContact CG-N 3.25Å; D20-G23 PolarHBondContact OD1-N 2.84Å; D20-G23 VanDerWaalsContact OD2-CA 3.27Å; D20-G23 WeakPolarHBondContact OD2-CA 3.42Å; D20-G23 PolarHBondContact OD2-N 2.67Å
21Y90.2Very high84.5Confident22 Ų2258.7 Ų58.79%0.08634%0.338CS..SBendtrans-92.4-12.6-179.8-65.9-85000112.6S4 L6 K19 L113 L117 Y119S4-Y21 PolarHBondContact O-N 3.39Å; L6-Y21 HydrophobicContact CB-CE2 3.88Å; K19-Y21 HydrophobicContact CB-CE2 4.2Å; K19-Y21 HydrophobicContact CD-CE1 3.94Å; K19-Y21 HydrophobicContact CD-CE2 4.36Å; K19-Y21 HydrophobicContact CG-CE1 4.19Å; K19-Y21 HydrophobicContact CG-CE2 4.06Å; Y21-L113 WeakPolarHBondContact OH-CB 3.32Å; Y21-L113 PolarHBondContact OH-O 3.37Å; Y21-L117 HydrophobicContact CD1-CB 4.16Å; Y21-L117 HydrophobicContact CD2-CD1 4.37Å; Y21-L117 HydrophobicContact CE1-CB 3.44Å; Y21-L117 VanDerWaalsContact CE1-CB 3.44Å; Y21-L117 HydrophobicContact CE1-CD1 4.29Å; Y21-L117 WeakPolarHBondContact CE1-O 3.45Å; Y21-L117 HydrophobicContact CE2-CB 4.25Å; Y21-L117 HydrophobicContact CE2-CD1 3.55Å; Y21-L117 VanDerWaalsContact CZ-CB 3.5Å; Y21-L117 VanDerWaalsContact CZ-CD1 3.5Å; Y21-L117 WeakPolarHBondContact OH-CD1 3.48Å; Y21-Y119 WeakPolarHBondContact O-CD2 3.41Å
22R86.3Confident84.6Confident34 Ų3456.9 Ų56.913%0.12833%0.325CS..SBendtrans-118.2-27.9-173.7-68.5-63.6-175.4136.1-2.9113.4M2 D20 E24 Y119 Y121M2-R22 HydrophobicContact CE-CG 4.31Å; M2-R22 VanDerWaalsContact CG-NH2 3.31Å; M2-R22 PolarHBondContact SD-NH2 2.69Å; D20-R22 PolarHBondContact OD1-N 3.33Å; R22-E24 HydrophobicContact CB-CB 4.25Å; R22-E24 HydrophobicContact CB-CG 4.05Å; R22-E24 PolarHBondContact O-N 3.26Å; R22-Y119 VanDerWaalsContact CZ-CD1 3.45Å; R22-Y119 PolarHBondContact NE-O 2.72Å; R22-Y119 PolarHBondContact NH1-OH 3.06Å; R22-Y119 PolarHBondContact NH2-O 2.64Å; R22-Y119 VanDerWaalsContact NH2-O 3.13Å; R22-Y121 VanDerWaalsContact NH2-CE2 3.34Å
23G80.1Confident84.8Confident62 Ų6249.7 Ų49.764%0.63929%0.294SS*.SBendtrans71.214.7-17600000113.3D20D20-G23 VanDerWaalsContact CG-N 3.25Å; D20-G23 PolarHBondContact OD1-N 2.84Å; D20-G23 VanDerWaalsContact OD2-CA 3.27Å; D20-G23 WeakPolarHBondContact OD2-CA 3.42Å; D20-G23 PolarHBondContact OD2-N 2.67Å
24E67.4Low85Confident130 Ų13051.9 Ų51.961%0.60730%0.297SS*.  trans-96.5-6.7-169.8-72.2178.1178.600113.6R22R22-E24 HydrophobicContact CB-CB 4.25Å; R22-E24 HydrophobicContact CB-CG 4.05Å; R22-E24 PolarHBondContact O-N 3.26Å
25A62.8Low85Confident26 Ų2654.8 Ų54.822%0.21531%0.308CS..SBendtrans-114.2149.3-167.900000113.5Q5 V29Q5-A25 HydrophobicContact CG-CB 4.23Å; A25-V29 HydrophobicContact CB-CG2 4.25Å
26G65.9Low84.9Confident52 Ų5253.2 Ų53.254%0.53630%0.3SS..  trans-68.6154.7-179.600000112.8D28 V29G26-D28 PolarHBondContact O-N 2.94Å; G26-V29 VanDerWaalsContact O-CG2 3.31Å; G26-V29 WeakPolarHBondContact O-CG2 3.42Å
27S66.1Low84.5Confident124 Ų12452.4 Ų52.487%0.86730%0.296SS*.THydrogen-bonded Turntrans-62.6-7.3-178.355.40000115.5
28D83.5Confident84.1Confident90 Ų9056.1 Ų56.148%0.48132%0.319SS..THydrogen-bonded Turntrans-101.87.3-169.1-165.423.7000113.6G26 I30 D31 V32G26-D28 PolarHBondContact O-N 2.94Å; D28-I30 VanDerWaalsContact C-N 3.3Å; D28-I30 PolarHBondContact O-N 2.77Å; D28-D31 PolarHBondContact O-N 2.88Å; D28-D31 WeakPolarHBondContact OD1-CB 3.37Å; D28-V32 WeakPolarHBondContact O-CB 3.47Å; D28-V32 WeakPolarHBondContact O-CG2 3.19Å; D28-V32 PolarHBondContact O-N 2.84Å; D28-V32 VanDerWaalsContact O-N 3.08Å
29V87.5Confident83.6Confident11 Ų1156.8 Ų56.87%0.06734%0.337CS..Hα-helixtrans-64.4-34.5-173169.10000112.6F7 A25 G26 F33 L54 F56 T69F7-V29 HydrophobicContact CE1-CG1 3.77Å; F7-V29 HydrophobicContact CZ-CG1 4.2Å; A25-V29 HydrophobicContact CB-CG2 4.25Å; G26-V29 VanDerWaalsContact O-CG2 3.31Å; G26-V29 WeakPolarHBondContact O-CG2 3.42Å; V29-F33 WeakPolarHBondContact O-CB 3.39Å; V29-F33 PolarHBondContact O-N 3.36Å; V29-F33 VanDerWaalsContact O-N 3.09Å; V29-L54 HydrophobicContact CG2-CD1 4.4Å; V29-F56 HydrophobicContact CG1-CE1 3.48Å; V29-F56 VanDerWaalsContact CG1-CE1 3.48Å; V29-F56 HydrophobicContact CG1-CZ 4.04Å; V29-F56 WeakPolarHBondContact O-CE1 3.34Å; V29-T69 HydrophobicContact CG1-CG2 3.73Å
30I89.2Confident83Confident25 Ų2558.6 Ų58.613%0.12835%0.348CS..Hα-helixtrans-68.4-49.9-179.5-65.2173.4000110.5F7 L9 H15 Y18 D28 F33 Y34F7-I30 HydrophobicContact CD1-CG1 4.49Å; F7-I30 HydrophobicContact CD2-CG1 4.21Å; F7-I30 HydrophobicContact CE2-CG1 4.46Å; F7-I30 HydrophobicContact CG-CG1 4.21Å; L9-I30 HydrophobicContact CD1-CG2 4.06Å; L9-I30 HydrophobicContact CD2-CG2 3.6Å; L9-I30 HydrophobicContact CG-CG2 4.49Å; H15-I30 HydrophobicContact CB-CD1 4.4Å; Y18-I30 HydrophobicContact CD2-CD1 3.79Å; Y18-I30 HydrophobicContact CD2-CG1 4.2Å; Y18-I30 HydrophobicContact CE2-CD1 4.47Å; Y18-I30 HydrophobicContact CG-CD1 4.31Å; D28-I30 VanDerWaalsContact C-N 3.3Å; D28-I30 PolarHBondContact O-N 2.77Å; I30-F33 WeakPolarHBondContact O-CB 3.38Å; I30-F33 PolarHBondContact O-N 3.46Å; I30-Y34 PolarHBondContact O-N 3Å
31D89.7Confident81.6Confident93 Ų9363.6 Ų63.650%0.49738%0.38SS..Hα-helixtrans-65.7-45.1-177.2-62.9-37000110.2D28 F33 Y34 E35D28-D31 PolarHBondContact O-N 2.88Å; D28-D31 WeakPolarHBondContact OD1-CB 3.37Å; D31-F33 VanDerWaalsContact C-N 3.3Å; D31-F33 PolarHBondContact O-N 2.84Å; D31-Y34 PolarHBondContact O-N 3.04Å; D31-Y34 VanDerWaalsContact O-N 3.11Å; D31-E35 WeakPolarHBondContact O-CG 3.49Å; D31-E35 PolarHBondContact O-N 3.01Å
32V90.3Very high80.2Confident18 Ų1864.6 Ų64.611%0.10940%0.398CS..Hα-helixtrans-57.5-41.7174.3170.90000112.1D28 K36 H51 F56D28-V32 WeakPolarHBondContact O-CB 3.47Å; D28-V32 WeakPolarHBondContact O-CG2 3.19Å; D28-V32 PolarHBondContact O-N 2.84Å; D28-V32 VanDerWaalsContact O-N 3.08Å; V32-K36 HydrophobicContact CG1-CD 4.44Å; V32-K36 WeakPolarHBondContact O-CB 2.95Å; V32-K36 VanDerWaalsContact O-CG 3.29Å; V32-K36 WeakPolarHBondContact O-CG 3.37Å; V32-K36 PolarHBondContact O-N 3.33Å; V32-H51 HydrophobicContact CG1-CB 4.28Å; V32-F56 HydrophobicContact CG1-CE2 4.21Å; V32-F56 HydrophobicContact CG1-CZ 4.13Å
33F90.6Very high78.8Confident0 Ų071.1 Ų71.10%044%0.435CS..Hα-helixtrans-64.1-47.2175.8172-95.5000111.2F7 L9 V29 I30 D31 K36 V37 M49 F56 H58 Y65 V67F7-F33 HydrophobicContact CE2-CB 4.19Å; F7-F33 AromaticContact CE2-CD1 3.94Å; F7-F33 HydrophobicContact CE2-CD1 3.94Å; F7-F33 HydrophobicContact CE2-CG 4.05Å; F7-F33 HydrophobicContact CZ-CB 3.99Å; F7-F33 HydrophobicContact CZ-CD1 4.46Å; F7-F33 HydrophobicContact CZ-CG 4.11Å; L9-F33 HydrophobicContact CD1-CD1 3.77Å; L9-F33 HydrophobicContact CD1-CE1 4.13Å; V29-F33 WeakPolarHBondContact O-CB 3.39Å; V29-F33 PolarHBondContact O-N 3.36Å; V29-F33 VanDerWaalsContact O-N 3.09Å; I30-F33 WeakPolarHBondContact O-CB 3.38Å; I30-F33 PolarHBondContact O-N 3.46Å; D31-F33 VanDerWaalsContact C-N 3.3Å; D31-F33 PolarHBondContact O-N 2.84Å; F33-K36 PolarHBondContact O-N 2.79Å; F33-V37 HydrophobicContact CE1-CB 4.3Å; F33-V37 HydrophobicContact CE1-CG1 4.29Å; F33-V37 HydrophobicContact CZ-CB 4.29Å; F33-V37 HydrophobicContact CZ-CG2 4.26Å; F33-V37 PolarHBondContact O-N 3.36Å; F33-M49 HydrophobicContact CD2-CE 3.52Å; F33-M49 HydrophobicContact CE2-CE 3.19Å; F33-M49 HydrophobicContact CZ-CE 4.03Å; F33-F56 HydrophobicContact CB-CD1 3.86Å; F33-F56 HydrophobicContact CB-CE1 3.67Å; F33-F56 HydrophobicContact CB-CZ 4.2Å; F33-F56 HydrophobicContact CD2-CB 3.77Å; F33-F56 AromaticContact CD2-CD1 3.65Å; F33-F56 HydrophobicContact CD2-CD1 3.65Å; F33-F56 HydrophobicContact CD2-CE1 4.35Å; F33-F56 AromaticContact CD2-CG 3.79Å; F33-F56 HydrophobicContact CD2-CG 3.79Å; F33-F56 HydrophobicContact CE2-CB 4.17Å; F33-F56 HydrophobicContact CG-CD1 4.14Å; F33-F56 HydrophobicContact CG-CE1 4.44Å; F33-H58 HydrophobicContact CE2-CB 3.86Å; F33-H58 AromaticContact CE2-CG 3.92Å; F33-H58 HydrophobicContact CZ-CB 3.76Å; F33-H58 AromaticContact CZ-CG 3.74Å; F33-Y65 HydrophobicContact CE1-CG 4.42Å; F33-V67 HydrophobicContact CD1-CG2 3.99Å; F33-V67 HydrophobicContact CD2-CG1 3.8Å; F33-V67 HydrophobicContact CD2-CG2 4.42Å; F33-V67 HydrophobicContact CE1-CG2 3.47Å; F33-V67 VanDerWaalsContact CE1-CG2 3.47Å; F33-V67 HydrophobicContact CE2-CG1 3.72Å; F33-V67 HydrophobicContact CE2-CG2 3.92Å; F33-V67 HydrophobicContact CG-CG1 4.25Å; F33-V67 HydrophobicContact CG-CG2 4.44Å; F33-V67 HydrophobicContact CZ-CB 4.45Å; F33-V67 HydrophobicContact CZ-CG1 4.14Å; F33-V67 HydrophobicContact CZ-CG2 3.43Å; F33-V67 VanDerWaalsContact CZ-CG2 3.43Å
34Y89.8Confident77.7Confident62 Ų6276.6 Ų76.624%0.24344%0.444CS..Hα-helixtrans-67.5-40.4-175.1-172.7-111.1000112.2K12 G13 I30 D31 K36 V37 T38K12-Y34 WeakPolarHBondContact CA-OH 3.49Å; K12-Y34 PolarHBondContact O-OH 2.94Å; G13-Y34 VanDerWaalsContact CA-CD2 3.45Å; G13-Y34 VanDerWaalsContact N-CE2 3.31Å; I30-Y34 PolarHBondContact O-N 3Å; D31-Y34 PolarHBondContact O-N 3.04Å; D31-Y34 VanDerWaalsContact O-N 3.11Å; Y34-K36 VanDerWaalsContact C-N 3.32Å; Y34-K36 PolarHBondContact O-N 2.88Å; Y34-V37 HydrophobicContact CD2-CG1 4.07Å; Y34-V37 WeakPolarHBondContact O-CG1 3.28Å; Y34-V37 PolarHBondContact O-N 3.37Å; Y34-T38 HydrophobicContact CD1-CG2 4.37Å; Y34-T38 HydrophobicContact CD2-CG2 4.16Å; Y34-T38 HydrophobicContact CE1-CG2 3.95Å; Y34-T38 HydrophobicContact CE2-CG2 3.69Å; Y34-T38 HydrophobicContact CG-CG2 4.46Å; Y34-T38 WeakPolarHBondContact O-CB 3.22Å; Y34-T38 WeakPolarHBondContact O-CG2 3.29Å; Y34-T38 PolarHBondContact O-N 3.09Å; Y34-T38 PolarHBondContact O-OG1 3.21Å
35E88.9Confident77.5Confident138 Ų13871.8 Ų71.865%0.64542%0.424SS*.Hα-helixtrans-59.1-44.5171.6-73.2-174.2168.900111.4D31 T38 A39D31-E35 WeakPolarHBondContact O-CG 3.49Å; D31-E35 PolarHBondContact O-N 3.01Å; E35-T38 PolarHBondContact O-N 3.3Å; E35-T38 PolarHBondContact O-OG1 3.46Å; E35-T38 VanDerWaalsContact O-OG1 3.13Å; E35-A39 WeakPolarHBondContact O-CB 3.5Å; E35-A39 PolarHBondContact O-N 3.09Å
36K87.6Confident77.9Confident65 Ų6573.6 Ų73.628%0.28343%0.434SS..Hα-helixtrans-64.6-43.9177.9-78-176.5176.9-132.40112.6V32 F33 Y34 T38 L40 M49 S50 H51V32-K36 HydrophobicContact CG1-CD 4.44Å; V32-K36 WeakPolarHBondContact O-CB 2.95Å; V32-K36 VanDerWaalsContact O-CG 3.29Å; V32-K36 WeakPolarHBondContact O-CG 3.37Å; V32-K36 PolarHBondContact O-N 3.33Å; F33-K36 PolarHBondContact O-N 2.79Å; Y34-K36 VanDerWaalsContact C-N 3.32Å; Y34-K36 PolarHBondContact O-N 2.88Å; K36-T38 VanDerWaalsContact C-N 3.29Å; K36-T38 PolarHBondContact O-N 3.28Å; K36-L40 WeakPolarHBondContact O-CD1 3.39Å; K36-L40 VanDerWaalsContact O-CG 3.31Å; K36-L40 WeakPolarHBondContact O-CG 3.33Å; K36-M49 HydrophobicContact CB-CE 4.46Å; K36-M49 HydrophobicContact CB-SD 3.95Å; K36-S50 PolarHBondContact NZ-O 2.85Å; K36-H51 VanDerWaalsContact CE-ND1 3.33Å; K36-H51 WeakPolarHBondContact CE-ND1 3.49Å
37V86.6Confident78.5Confident9 Ų974.3 Ų74.36%0.05543%0.427CS..Hα-helixtrans-67.7-34.6-176.989.30000111.3F33 Y34 P45 M49 Y65F33-V37 HydrophobicContact CE1-CB 4.3Å; F33-V37 HydrophobicContact CE1-CG1 4.29Å; F33-V37 HydrophobicContact CZ-CB 4.29Å; F33-V37 HydrophobicContact CZ-CG2 4.26Å; F33-V37 PolarHBondContact O-N 3.36Å; Y34-V37 HydrophobicContact CD2-CG1 4.07Å; Y34-V37 WeakPolarHBondContact O-CG1 3.28Å; Y34-V37 PolarHBondContact O-N 3.37Å; V37-P45 HydrophobicContact CG2-CB 3.62Å; V37-P45 HydrophobicContact CG2-CG 3.72Å; V37-M49 HydrophobicContact CB-CE 4.23Å; V37-M49 HydrophobicContact CG2-CE 4.28Å; V37-Y65 HydrophobicContact CG2-CE1 4.08Å
38T84.9Confident79.5Confident78 Ų7871 Ų7148%0.47940%0.402SS..Hα-helixtrans-83.3-26.9-179.6540000113.7Y34 E35 K36 L40Y34-T38 HydrophobicContact CD1-CG2 4.37Å; Y34-T38 HydrophobicContact CD2-CG2 4.16Å; Y34-T38 HydrophobicContact CE1-CG2 3.95Å; Y34-T38 HydrophobicContact CE2-CG2 3.69Å; Y34-T38 HydrophobicContact CG-CG2 4.46Å; Y34-T38 WeakPolarHBondContact O-CB 3.22Å; Y34-T38 WeakPolarHBondContact O-CG2 3.29Å; Y34-T38 PolarHBondContact O-N 3.09Å; Y34-T38 PolarHBondContact O-OG1 3.21Å; E35-T38 PolarHBondContact O-N 3.3Å; E35-T38 PolarHBondContact O-OG1 3.46Å; E35-T38 VanDerWaalsContact O-OG1 3.13Å; K36-T38 VanDerWaalsContact C-N 3.29Å; K36-T38 PolarHBondContact O-N 3.28Å; T38-L40 PolarHBondContact O-N 3.43Å
39A83.2Confident79.7Confident77 Ų7767.3 Ų67.364%0.63638%0.382SS*.SBendtrans-70.1-12.7175.200000113.6E35E35-A39 WeakPolarHBondContact O-CB 3.5Å; E35-A39 PolarHBondContact O-N 3.09Å
40L80.3Confident79.6Confident66 Ų6670 Ų7035%0.34640%0.401SS..  trans-78.2127-179.1-67.6156.6000110.7K36 T38 G42 P45 P46 M49K36-L40 WeakPolarHBondContact O-CD1 3.39Å; K36-L40 VanDerWaalsContact O-CG 3.31Å; K36-L40 WeakPolarHBondContact O-CG 3.33Å; T38-L40 PolarHBondContact O-N 3.43Å; L40-G42 VanDerWaalsContact C-N 3.27Å; L40-G42 PolarHBondContact O-N 3.44Å; L40-P45 HydrophobicContact CD1-CB 3.51Å; L40-P46 HydrophobicContact CD1-CG 4.13Å; L40-P46 HydrophobicContact CD2-CG 4.18Å; L40-M49 HydrophobicContact CD1-SD 3.97Å
41T63.1Low79.4Confident153 Ų15371.3 Ų71.394%0.93941%0.407SS*.  trans-84.52.8-17758.20000113.8
42G59.5Low79.1Confident44 Ų4475.3 Ų75.345%0.45442%0.42SS..SBendtrans-98.4148.5-179.200000112.3L40 Q44L40-G42 VanDerWaalsContact C-N 3.27Å; L40-G42 PolarHBondContact O-N 3.44Å; G42-Q44 PolarHBondContact O-N 2.94Å; G42-Q44 VanDerWaalsContact O-N 3.11Å
43D56.9Low78.7Confident171 Ų17181.1 Ų81.191%0.91445%0.45SS*.SBendtrans-60-20.6177.2-82.9-18.1000113.5
44Q58.6Low78.5Confident177 Ų17783 Ų8383%0.82746%0.46SS*.SBendtrans-128.2113.5175.3-67-167.8-15.100110.8G42G42-Q44 PolarHBondContact O-N 2.94Å; G42-Q44 VanDerWaalsContact O-N 3.11Å
45P63.1Low78.5Confident28 Ų2882.2 Ų82.218%0.18246%0.459CS..  trans-65.4149.4174.627.2-34.2000110.9V37 L40 V47 H58V37-P45 HydrophobicContact CG2-CB 3.62Å; V37-P45 HydrophobicContact CG2-CG 3.72Å; L40-P45 HydrophobicContact CD1-CB 3.51Å; P45-V47 PolarHBondContact O-N 2.86Å; P45-H58 WeakPolarHBondContact CG-NE2 3.48Å
46P70.3Confident78.6Confident65 Ų6575.8 Ų75.842%0.42243%0.428SS..  trans-63.4126.5176.415.5-9.8000109.5L40 V48 M49 H58L40-P46 HydrophobicContact CD1-CG 4.13Å; L40-P46 HydrophobicContact CD2-CG 4.18Å; P46-V48 PolarHBondContact O-N 2.97Å; P46-V48 VanDerWaalsContact O-N 3.08Å; P46-M49 HydrophobicContact CG-CG 4.14Å; P46-H58 PolarHBondContact O-CE1 2.89Å
47V78.8Confident78.9Confident66 Ų6672.7 Ų72.740%0.442%0.415SS..SBendtrans-53.4-33.3-177177.40000112.2P45 V57 H58 I80P45-V47 PolarHBondContact O-N 2.86Å; V47-V57 WeakPolarHBondContact O-CA 3.38Å; V47-H58 WeakPolarHBondContact CG1-O 3.35Å; V47-H58 PolarHBondContact O-N 2.73Å; V47-H58 PolarHBondContact O-ND1 2.91Å; V47-I80 HydrophobicContact CG1-CD1 3.47Å; V47-I80 VanDerWaalsContact CG1-CD1 3.47Å; V47-I80 HydrophobicContact CG1-CG1 3.76Å
48V86.4Confident79.1Confident54 Ų5472.6 Ų72.633%0.32741%0.414SS..EExtended strand (participates in β ladder)trans-117.4126.3176.8-171.90000109.8P46 H55 F56 V57 P76P46-V48 PolarHBondContact O-N 2.97Å; P46-V48 VanDerWaalsContact O-N 3.08Å; V48-H55 HydrophobicContact CG1-CB 4.41Å; V48-F56 CarbonylContact C-O 3.49Å; V48-F56 VanDerWaalsContact CA-O 3.26Å; V48-F56 WeakPolarHBondContact CA-O 3.28Å; V48-V57 HydrophobicContact CG1-CG2 4.4Å; V48-V57 HydrophobicContact CG2-CG2 4.31Å; V48-P76 HydrophobicContact CG2-CB 3.69Å; V48-P76 HydrophobicContact CG2-CG 4.27Å
49M87.7Confident79.5Confident14 Ų1469.7 Ų69.77%0.06940%0.395CS..EExtended strand (participates in β ladder)trans-126.5133.6176.2-62.3-176.9-74.500110F33 K36 V37 L40 P46 H55 F56F33-M49 HydrophobicContact CD2-CE 3.52Å; F33-M49 HydrophobicContact CE2-CE 3.19Å; F33-M49 HydrophobicContact CZ-CE 4.03Å; K36-M49 HydrophobicContact CB-CE 4.46Å; K36-M49 HydrophobicContact CB-SD 3.95Å; V37-M49 HydrophobicContact CB-CE 4.23Å; V37-M49 HydrophobicContact CG2-CE 4.28Å; L40-M49 HydrophobicContact CD1-SD 3.97Å; P46-M49 HydrophobicContact CG-CG 4.14Å; M49-H55 CarbonylContact O-C 3.6Å; M49-H55 WeakPolarHBondContact O-CA 3.33Å; M49-F56 HydrophobicContact CB-CB 4.33Å; M49-F56 PolarHBondContact N-O 2.79Å; M49-F56 PolarHBondContact O-N 2.92Å
50S86.2Confident79.8Confident68 Ų6873.1 Ų73.148%0.47639%0.392SS..EExtended strand (participates in β ladder)trans-97.8137.8177.6-52.80000110.8K36 L54 H55K36-S50 PolarHBondContact NZ-O 2.85Å; S50-L54 CarbonylContact C-O 3.57Å; S50-L54 WeakPolarHBondContact CA-O 3.5Å; S50-H55 PolarHBondContact OG-CE1 2.93Å; S50-H55 VanDerWaalsContact OG-CE1 3.3Å; S50-H55 PolarHBondContact OG-ND1 3.5Å
51H84.2Confident80.2Confident51 Ų5172.5 Ų72.524%0.23639%0.387CS..EExtended strand (participates in β ladder)trans-139.2114.2168.3-177.487.9000109.1V32 K36 D53 L54 F56V32-H51 HydrophobicContact CG1-CB 4.28Å; K36-H51 VanDerWaalsContact CE-ND1 3.33Å; K36-H51 WeakPolarHBondContact CE-ND1 3.49Å; H51-D53 PolarHBondContact O-N 2.95Å; H51-L54 PolarHBondContact N-O 2.78Å; H51-L54 PolarHBondContact O-N 3.01Å; H51-F56 HydrophobicContact CB-CD2 4.34Å; H51-F56 HydrophobicContact CB-CE2 3.61Å
52K84Confident81.1Confident177 Ų17767.4 Ų67.477%0.7737%0.365SS*.THydrogen-bonded Turntrans54.6-124.7-171.8-55.7170-178166.40109
53D82.4Confident82.4Confident141 Ų14167.2 Ų67.275%0.75436%0.363SS*.THydrogen-bonded Turntrans-94.47.7-180-53.7-44.9000113.6H51H51-D53 PolarHBondContact O-N 2.95Å
54L85.5Confident84.1Confident40 Ų4059.1 Ų59.121%0.20932%0.319CS..EExtended strand (participates in β ladder)trans-107.8137.6179.5-67.5171.6000111.3V29 S50 H51 T71V29-L54 HydrophobicContact CG2-CD1 4.4Å; S50-L54 CarbonylContact C-O 3.57Å; S50-L54 WeakPolarHBondContact CA-O 3.5Å; H51-L54 PolarHBondContact N-O 2.78Å; H51-L54 PolarHBondContact O-N 3.01Å; L54-T71 HydrophobicContact CD2-CG2 4.49Å
55H89.7Confident85.7Confident45 Ų4551.7 Ų51.721%0.20828%0.284CS..EExtended strand (participates in β ladder)trans-108124.7170.2-58-68.2000109.6V48 M49 S50 T69 T70V48-H55 HydrophobicContact CG1-CB 4.41Å; M49-H55 CarbonylContact O-C 3.6Å; M49-H55 WeakPolarHBondContact O-CA 3.33Å; S50-H55 PolarHBondContact OG-CE1 2.93Å; S50-H55 VanDerWaalsContact OG-CE1 3.3Å; S50-H55 PolarHBondContact OG-ND1 3.5Å; H55-T69 CarbonylContact O-C 3.49Å; H55-T69 VanDerWaalsContact O-CA 3.31Å; H55-T69 WeakPolarHBondContact O-CA 3.37Å; H55-T70 HydrophobicContact CB-CG2 4.01Å; H55-T70 PolarHBondContact N-O 3.04Å; H55-T70 PolarHBondContact O-N 3.32Å
56F91.6Very high87.2Confident2 Ų250.4 Ų50.41%0.00928%0.276CS..EExtended strand (participates in β ladder)trans-88.2120.8168.6-61.4-84.7000108.9F7 V29 V32 F33 V48 M49 H51 V67 T69F7-F56 HydrophobicContact CZ-CD1 4.19Å; F7-F56 HydrophobicContact CZ-CE1 4.19Å; V29-F56 HydrophobicContact CG1-CE1 3.48Å; V29-F56 VanDerWaalsContact CG1-CE1 3.48Å; V29-F56 HydrophobicContact CG1-CZ 4.04Å; V29-F56 WeakPolarHBondContact O-CE1 3.34Å; V32-F56 HydrophobicContact CG1-CE2 4.21Å; V32-F56 HydrophobicContact CG1-CZ 4.13Å; F33-F56 HydrophobicContact CB-CD1 3.86Å; F33-F56 HydrophobicContact CB-CE1 3.67Å; F33-F56 HydrophobicContact CB-CZ 4.2Å; F33-F56 HydrophobicContact CD2-CB 3.77Å; F33-F56 AromaticContact CD2-CD1 3.65Å; F33-F56 HydrophobicContact CD2-CD1 3.65Å; F33-F56 HydrophobicContact CD2-CE1 4.35Å; F33-F56 AromaticContact CD2-CG 3.79Å; F33-F56 HydrophobicContact CD2-CG 3.79Å; F33-F56 HydrophobicContact CE2-CB 4.17Å; F33-F56 HydrophobicContact CG-CD1 4.14Å; F33-F56 HydrophobicContact CG-CE1 4.44Å; V48-F56 CarbonylContact C-O 3.49Å; V48-F56 VanDerWaalsContact CA-O 3.26Å; V48-F56 WeakPolarHBondContact CA-O 3.28Å; M49-F56 HydrophobicContact CB-CB 4.33Å; M49-F56 PolarHBondContact N-O 2.79Å; M49-F56 PolarHBondContact O-N 2.92Å; H51-F56 HydrophobicContact CB-CD2 4.34Å; H51-F56 HydrophobicContact CB-CE2 3.61Å; F56-V67 HydrophobicContact CB-CG1 4.45Å; F56-V67 HydrophobicContact CD1-CG1 4.16Å; F56-T69 HydrophobicContact CD1-CG2 3.62Å; F56-T69 HydrophobicContact CE1-CG2 3.74Å
57V93.1Very high88.3Confident0 Ų047.3 Ų47.30%026%0.255CS..EExtended strand (participates in β ladder)trans-111.9126171.2-175.90000107.3V47 V48 V67 A68 T70 P76 I79 I80V47-V57 WeakPolarHBondContact O-CA 3.38Å; V48-V57 HydrophobicContact CG1-CG2 4.4Å; V48-V57 HydrophobicContact CG2-CG2 4.31Å; V57-V67 WeakPolarHBondContact O-CA 3.26Å; V57-A68 PolarHBondContact N-O 2.94Å; V57-A68 PolarHBondContact O-N 2.98Å; V57-T70 HydrophobicContact CG2-CG2 4.42Å; V57-P76 HydrophobicContact CG2-CB 4.31Å; V57-I79 HydrophobicContact CB-CB 4.32Å; V57-I79 HydrophobicContact CB-CG2 3.74Å; V57-I79 HydrophobicContact CG1-CB 4.07Å; V57-I79 HydrophobicContact CG1-CG2 3.77Å; V57-I79 HydrophobicContact CG2-CB 4.44Å; V57-I79 HydrophobicContact CG2-CD1 4.11Å; V57-I79 HydrophobicContact CG2-CG2 4.26Å; V57-I80 HydrophobicContact CG1-CD1 4.33Å; V57-I80 HydrophobicContact CG1-CG1 3.52Å
58H92.5Very high89.1Confident8 Ų844.2 Ų44.24%0.03724%0.236CC..EExtended strand (participates in β ladder)trans-138.2154.8-176.280.3-76.4000114.1F33 P45 P46 V47 W66 V67F33-H58 HydrophobicContact CE2-CB 3.86Å; F33-H58 AromaticContact CE2-CG 3.92Å; F33-H58 HydrophobicContact CZ-CB 3.76Å; F33-H58 AromaticContact CZ-CG 3.74Å; P45-H58 WeakPolarHBondContact CG-NE2 3.48Å; P46-H58 PolarHBondContact O-CE1 2.89Å; V47-H58 WeakPolarHBondContact CG1-O 3.35Å; V47-H58 PolarHBondContact O-N 2.73Å; V47-H58 PolarHBondContact O-ND1 2.91Å; H58-W66 CarbonylContact C-O 3.47Å; H58-W66 WeakPolarHBondContact CA-O 3.37Å; H58-W66 WeakPolarHBondContact CB-O 3.19Å; H58-V67 HydrophobicContact CB-CB 4.35Å; H58-V67 HydrophobicContact CB-CG1 4.21Å; H58-V67 HydrophobicContact CB-CG2 3.94Å
59I92.7Very high89.3Confident16 Ų1641.6 Ų41.68%0.08222%0.221CC..EExtended strand (participates in β ladder)trans-130158.3168.766.2169.6000110Q61 W66 I80 L83 N84I59-Q61 HydrophobicContact CD1-CG 4.14Å; I59-W66 HydrophobicContact CD1-CB 4.37Å; I59-W66 HydrophobicContact CG1-CB 3.67Å; I59-W66 HydrophobicContact CG1-CG 4.14Å; I59-W66 PolarHBondContact N-O 2.75Å; I59-W66 PolarHBondContact O-N 3.32Å; I59-I80 HydrophobicContact CG2-CG2 4.09Å; I59-L83 VanDerWaalsContact CD1-C 3.4Å; I59-L83 HydrophobicContact CD1-CB 3.63Å; I59-L83 HydrophobicContact CG1-CB 3.86Å; I59-L83 HydrophobicContact CG1-CD1 4.49Å; I59-L83 HydrophobicContact CG2-CB 4.37Å; I59-L83 HydrophobicContact CG2-CD1 4.47Å; I59-N84 HydrophobicContact CD1-CB 4.28Å; I59-N84 WeakPolarHBondContact CD1-OD1 3.44Å
60R89.6Confident89.4Confident150 Ų15041 Ų4157%0.56622%0.218SC*.EExtended strand (participates in β ladder)trans-114.7113.3175.5-166.3174.9-176-174.31110.3L64R60-L64 WeakPolarHBondContact CA-O 3.46Å
61Q87.5Confident89.3Confident53 Ų5339.9 Ų39.925%0.24821%0.208CC..EExtended strand (participates in β ladder)trans-141.9139.4177.8-68.9-161.111.100111.1I59 G63 L64 W66 N84 S87 L97I59-Q61 HydrophobicContact CD1-CG 4.14Å; Q61-G63 PolarHBondContact O-N 2.73Å; Q61-L64 PolarHBondContact N-O 3.01Å; Q61-L64 VanDerWaalsContact N-O 3.13Å; Q61-L64 WeakPolarHBondContact O-CB 3.31Å; Q61-L64 PolarHBondContact O-N 2.8Å; Q61-W66 PolarHBondContact O-NE1 2.9Å; Q61-N84 PolarHBondContact NE2-OD1 3.47Å; Q61-S87 PolarHBondContact NE2-OG 2.66Å; Q61-S87 VanDerWaalsContact OE1-CB 3.28Å; Q61-S87 PolarHBondContact OE1-OG 2.8Å; Q61-L97 HydrophobicContact CB-CD1 4.49Å
62G83.3Confident88.5Confident46 Ų4641 Ų4147%0.47423%0.226SC..THydrogen-bonded Turntrans63.422.2-179.100000114.4L64G62-L64 VanDerWaalsContact C-N 3.28Å; G62-L64 PolarHBondContact O-N 2.89Å
63G86.9Confident88Confident39 Ų3940 Ų4040%0.40223%0.229SC..THydrogen-bonded Turntrans77.58.8-173.300000114.7Q61Q61-G63 PolarHBondContact O-N 2.73Å
64L91.7Very high87.8Confident2 Ų233.9 Ų33.91%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-112.9151.4-175.4-56.5166.8000111.3I8 L9 L16 R60 Q61 G62 E99 I102I8-L64 HydrophobicContact CG2-CB 4.25Å; I8-L64 HydrophobicContact CG2-CD1 4.44Å; L9-L64 WeakPolarHBondContact O-CA 3.41Å; L16-L64 HydrophobicContact CD1-CD2 3.67Å; R60-L64 WeakPolarHBondContact CA-O 3.46Å; Q61-L64 PolarHBondContact N-O 3.01Å; Q61-L64 VanDerWaalsContact N-O 3.13Å; Q61-L64 WeakPolarHBondContact O-CB 3.31Å; Q61-L64 PolarHBondContact O-N 2.8Å; G62-L64 VanDerWaalsContact C-N 3.28Å; G62-L64 PolarHBondContact O-N 2.89Å; L64-E99 HydrophobicContact CD2-CB 4.11Å; L64-I102 HydrophobicContact CD1-CD1 3.3Å; L64-I102 HydrophobicContact CD1-CG1 4.13Å
65Y92.8Very high87.8Confident21 Ų2134.7 Ų34.78%0.08221%0.206CC..EExtended strand (participates in β ladder)trans-92.3123.3169.3-66-75.1000109.5I8 L9 F33 V37I8-Y65 CarbonylContact C-O 3.59Å; I8-Y65 VanDerWaalsContact CA-O 3.28Å; I8-Y65 WeakPolarHBondContact CA-O 3.43Å; L9-Y65 PolarHBondContact N-O 2.84Å; L9-Y65 PolarHBondContact O-N 3.29Å; F33-Y65 HydrophobicContact CE1-CG 4.42Å; V37-Y65 HydrophobicContact CG2-CE1 4.08Å
66W94.6Very high87.7Confident1 Ų134.7 Ų34.70%0.00421%0.21CC..EExtended strand (participates in β ladder)trans-107.1118.8172.6-59.971.7000107.2I8 H58 I59 Q61 L83 L86 V90 L97 I102I8-W66 HydrophobicContact CD1-CD2 4.38Å; I8-W66 HydrophobicContact CD1-CE3 3.71Å; I8-W66 HydrophobicContact CD1-CH2 3.69Å; I8-W66 HydrophobicContact CD1-CZ2 4.35Å; I8-W66 HydrophobicContact CD1-CZ3 3.34Å; I8-W66 HydrophobicContact CG1-CD2 4.31Å; I8-W66 HydrophobicContact CG1-CE3 3.87Å; I8-W66 HydrophobicContact CG1-CZ3 4.04Å; H58-W66 CarbonylContact C-O 3.47Å; H58-W66 WeakPolarHBondContact CA-O 3.37Å; H58-W66 WeakPolarHBondContact CB-O 3.19Å; I59-W66 HydrophobicContact CD1-CB 4.37Å; I59-W66 HydrophobicContact CG1-CB 3.67Å; I59-W66 HydrophobicContact CG1-CG 4.14Å; I59-W66 PolarHBondContact N-O 2.75Å; I59-W66 PolarHBondContact O-N 3.32Å; Q61-W66 PolarHBondContact O-NE1 2.9Å; W66-L83 HydrophobicContact CB-CD2 4.34Å; W66-L86 HydrophobicContact CE3-CD2 4.21Å; W66-L86 HydrophobicContact CE3-CG 4.42Å; W66-L86 HydrophobicContact CZ3-CD2 4.14Å; W66-L86 HydrophobicContact CZ3-CG 4.02Å; W66-V90 HydrophobicContact CH2-CB 3.84Å; W66-V90 HydrophobicContact CH2-CG1 4.08Å; W66-V90 HydrophobicContact CH2-CG2 3.84Å; W66-V90 HydrophobicContact CZ3-CG2 4.11Å; W66-L97 HydrophobicContact CH2-CD2 4.3Å; W66-L97 HydrophobicContact CZ2-CD2 3.88Å; W66-I102 HydrophobicContact CH2-CD1 4.47Å; W66-I102 HydrophobicContact CZ2-CD1 4.3Å
67V94.1Very high87.6Confident0 Ų042.4 Ų42.40%024%0.244CC..EExtended strand (participates in β ladder)trans-129.9133.2-169.1-166.30000109.6L6 F7 F33 F56 V57 H58L6-V67 WeakPolarHBondContact CA-O 3.35Å; F7-V67 HydrophobicContact CD1-CB 4.39Å; F7-V67 HydrophobicContact CD2-CB 3.72Å; F7-V67 HydrophobicContact CD2-CG1 4.43Å; F7-V67 HydrophobicContact CD2-CG2 3.92Å; F7-V67 HydrophobicContact CE1-CB 4.08Å; F7-V67 HydrophobicContact CE1-CG1 3.92Å; F7-V67 HydrophobicContact CE2-CB 3.37Å; F7-V67 HydrophobicContact CE2-CG1 3.63Å; F7-V67 HydrophobicContact CE2-CG2 3.52Å; F7-V67 HydrophobicContact CG-CB 4.23Å; F7-V67 HydrophobicContact CZ-CB 3.57Å; F7-V67 HydrophobicContact CZ-CG1 3.33Å; F7-V67 HydrophobicContact CZ-CG2 4.16Å; F7-V67 PolarHBondContact N-O 2.82Å; F7-V67 PolarHBondContact O-N 2.79Å; F33-V67 HydrophobicContact CD1-CG2 3.99Å; F33-V67 HydrophobicContact CD2-CG1 3.8Å; F33-V67 HydrophobicContact CD2-CG2 4.42Å; F33-V67 HydrophobicContact CE1-CG2 3.47Å; F33-V67 VanDerWaalsContact CE1-CG2 3.47Å; F33-V67 HydrophobicContact CE2-CG1 3.72Å; F33-V67 HydrophobicContact CE2-CG2 3.92Å; F33-V67 HydrophobicContact CG-CG1 4.25Å; F33-V67 HydrophobicContact CG-CG2 4.44Å; F33-V67 HydrophobicContact CZ-CB 4.45Å; F33-V67 HydrophobicContact CZ-CG1 4.14Å; F33-V67 HydrophobicContact CZ-CG2 3.43Å; F33-V67 VanDerWaalsContact CZ-CG2 3.43Å; F56-V67 HydrophobicContact CB-CG1 4.45Å; F56-V67 HydrophobicContact CD1-CG1 4.16Å; V57-V67 WeakPolarHBondContact O-CA 3.26Å; H58-V67 HydrophobicContact CB-CB 4.35Å; H58-V67 HydrophobicContact CB-CG1 4.21Å; H58-V67 HydrophobicContact CB-CG2 3.94Å
68A93.8Very high87.4Confident0 Ų044.7 Ų44.70%026%0.26CS..EExtended strand (participates in β ladder)trans-121.1139.6168.300000109.3I3 Q5 L6 V57 I79 L83I3-A68 HydrophobicContact CD1-CB 4.48Å; I3-A68 HydrophobicContact CG1-CB 4.44Å; I3-A68 HydrophobicContact CG2-CB 4.01Å; Q5-A68 CarbonylContact O-C 3.53Å; Q5-A68 VanDerWaalsContact O-CA 3.29Å; Q5-A68 WeakPolarHBondContact O-CA 3.44Å; L6-A68 HydrophobicContact CD1-CB 4.09Å; V57-A68 PolarHBondContact N-O 2.94Å; V57-A68 PolarHBondContact O-N 2.98Å; A68-I79 HydrophobicContact CB-CG2 3.52Å; A68-L83 HydrophobicContact CB-CD1 4.28Å; A68-L83 HydrophobicContact CB-CD2 4.12Å; A68-L83 HydrophobicContact CB-CG 4.45Å
69T92Very high87.4Confident0 Ų044.3 Ų44.30%026%0.258CS..EExtended strand (participates in β ladder)trans-99.9144.6170.860.10000110.5S4 Q5 F7 V29 H55 F56S4-T69 PolarHBondContact N-O 3.26Å; Q5-T69 VanDerWaalsContact CB-OG1 3.29Å; Q5-T69 WeakPolarHBondContact CB-OG1 3.24Å; Q5-T69 PolarHBondContact N-OG1 3.37Å; Q5-T69 PolarHBondContact O-N 3.24Å; Q5-T69 PolarHBondContact OE1-OG1 2.87Å; F7-T69 HydrophobicContact CE1-CG2 4Å; V29-T69 HydrophobicContact CG1-CG2 3.73Å; H55-T69 CarbonylContact O-C 3.49Å; H55-T69 VanDerWaalsContact O-CA 3.31Å; H55-T69 WeakPolarHBondContact O-CA 3.37Å; F56-T69 HydrophobicContact CD1-CG2 3.62Å; F56-T69 HydrophobicContact CE1-CG2 3.74Å
70T89.4Confident87.3Confident2 Ų245.3 Ų45.31%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-147.4159.9175.6-165.30000110.6M2 H55 V57 S74 I79M2-T70 WeakPolarHBondContact O-CB 2.8Å; M2-T70 PolarHBondContact O-OG1 2.83Å; H55-T70 HydrophobicContact CB-CG2 4.01Å; H55-T70 PolarHBondContact N-O 3.04Å; H55-T70 PolarHBondContact O-N 3.32Å; V57-T70 HydrophobicContact CG2-CG2 4.42Å; T70-S74 WeakPolarHBondContact OG1-CB 3.18Å; T70-S74 PolarHBondContact OG1-OG 3.38Å; T70-I79 HydrophobicContact CG2-CD1 3.44Å; T70-I79 VanDerWaalsContact CG2-CD1 3.44Å
71T83.2Confident87.3Confident43 Ų4343 Ų4326%0.26426%0.259SS..  trans-87.6170168.556.10000110.5L54 D73 S74L54-T71 HydrophobicContact CD2-CG2 4.49Å; T71-D73 PolarHBondContact O-N 2.97Å; T71-S74 PolarHBondContact O-N 3.48Å
72A68.6Low87.6Confident75 Ų7540.7 Ų40.762%0.6225%0.249SC*.THydrogen-bonded Turntrans-58.8-12.2-168.200000116.4
73D72.6Confident88.1Confident156 Ų15638.5 Ų38.583%0.83423%0.226SC*.THydrogen-bonded Turntrans-88.7-4.2-172.8-61.7-31.9000114.6T71T71-D73 PolarHBondContact O-N 2.97Å
74S79.1Confident88.3Confident13 Ų1339.8 Ų39.89%0.09122%0.223CC..SBendtrans-102.2136.4-178.8-65.50000113.3M2 T70 T71 P76M2-S74 PolarHBondContact N-OG 3.46Å; T70-S74 WeakPolarHBondContact OG1-CB 3.18Å; T70-S74 PolarHBondContact OG1-OG 3.38Å; T71-S74 PolarHBondContact O-N 3.48Å; S74-P76 VanDerWaalsContact O-CD 3.26Å; S74-P76 WeakPolarHBondContact O-CD 3.17Å
75S85.3Confident88.2Confident56 Ų5645 Ų4539%0.39224%0.243SC..  trans-62119.9171.1179.10000110.7F77 S78S75-F77 PolarHBondContact O-N 3.1Å; S75-S78 PolarHBondContact O-N 2.88Å
76P87.4Confident88.3Confident45 Ų4544 Ų4429%0.29224%0.239SC..Hα-helixtrans-60.7-30.9177.1-24.134.5000112.7V48 V57 S74 S78 I79 I80V48-P76 HydrophobicContact CG2-CB 3.69Å; V48-P76 HydrophobicContact CG2-CG 4.27Å; V57-P76 HydrophobicContact CG2-CB 4.31Å; S74-P76 VanDerWaalsContact O-CD 3.26Å; S74-P76 WeakPolarHBondContact O-CD 3.17Å; P76-S78 PolarHBondContact O-N 3.4Å; P76-I79 PolarHBondContact O-N 3.22Å; P76-I80 VanDerWaalsContact O-CG1 3.26Å; P76-I80 WeakPolarHBondContact O-CG1 3.48Å; P76-I80 PolarHBondContact O-N 3.29Å
77F88.9Confident88.2Confident165 Ų16544 Ų4472%0.72424%0.239SC*.Hα-helixtrans-61.1-41.8179.8-66.9-76.4000112.7S75 I79 I80 E81S75-F77 PolarHBondContact O-N 3.1Å; F77-I79 VanDerWaalsContact C-N 3.29Å; F77-I79 PolarHBondContact O-N 2.79Å; F77-I80 PolarHBondContact O-N 2.69Å; F77-E81 WeakPolarHBondContact O-CB 3.29Å; F77-E81 PolarHBondContact O-N 3.21Å
78S88.7Confident87.9Confident47 Ų4745.3 Ų45.333%0.32925%0.253SS..Hα-helixtrans-66.6-34.4178.5-53.10000111.7M1 S75 P76 F82M1-S78 WeakPolarHBondContact CE-O 3.26Å; M1-S78 WeakPolarHBondContact SD-CB 3.29Å; S75-S78 PolarHBondContact O-N 2.88Å; P76-S78 PolarHBondContact O-N 3.4Å; S78-F82 VanDerWaalsContact O-CB 3.27Å; S78-F82 WeakPolarHBondContact O-CB 3.21Å; S78-F82 PolarHBondContact O-N 2.84Å
79I92.2Very high87.7Confident0 Ų045.6 Ų45.60%025%0.254CS..Hα-helixtrans-70.5-42.6175.3-60.6166.8000110.6M1 I3 V57 A68 T70 P76 F77 E81 F82 L83M1-I79 HydrophobicContact CE-CB 4.31Å; M1-I79 HydrophobicContact CE-CG1 3.8Å; M1-I79 HydrophobicContact CG-CG1 4.32Å; I3-I79 HydrophobicContact CG1-CG1 4.26Å; V57-I79 HydrophobicContact CB-CB 4.32Å; V57-I79 HydrophobicContact CB-CG2 3.74Å; V57-I79 HydrophobicContact CG1-CB 4.07Å; V57-I79 HydrophobicContact CG1-CG2 3.77Å; V57-I79 HydrophobicContact CG2-CB 4.44Å; V57-I79 HydrophobicContact CG2-CD1 4.11Å; V57-I79 HydrophobicContact CG2-CG2 4.26Å; A68-I79 HydrophobicContact CB-CG2 3.52Å; T70-I79 HydrophobicContact CG2-CD1 3.44Å; T70-I79 VanDerWaalsContact CG2-CD1 3.44Å; P76-I79 PolarHBondContact O-N 3.22Å; F77-I79 VanDerWaalsContact C-N 3.29Å; F77-I79 PolarHBondContact O-N 2.79Å; I79-E81 PolarHBondContact O-N 3.44Å; I79-F82 WeakPolarHBondContact O-CB 3.32Å; I79-F82 PolarHBondContact O-N 2.91Å; I79-L83 HydrophobicContact CG2-CD1 4.18Å; I79-L83 HydrophobicContact CG2-CG 4.34Å; I79-L83 VanDerWaalsContact O-CG 3.29Å; I79-L83 WeakPolarHBondContact O-CG 3.21Å; I79-L83 PolarHBondContact O-N 3.24Å
80I92.2Very high87.6Confident38 Ų3845.6 Ų45.620%0.19525%0.254CS..Hα-helixtrans-59.8-47.7175.2-66.8160.7000110.4V47 V57 I59 P76 F77 F82 L83 N84V47-I80 HydrophobicContact CG1-CD1 3.47Å; V47-I80 VanDerWaalsContact CG1-CD1 3.47Å; V47-I80 HydrophobicContact CG1-CG1 3.76Å; V57-I80 HydrophobicContact CG1-CD1 4.33Å; V57-I80 HydrophobicContact CG1-CG1 3.52Å; I59-I80 HydrophobicContact CG2-CG2 4.09Å; P76-I80 VanDerWaalsContact O-CG1 3.26Å; P76-I80 WeakPolarHBondContact O-CG1 3.48Å; P76-I80 PolarHBondContact O-N 3.29Å; F77-I80 PolarHBondContact O-N 2.69Å; I80-F82 VanDerWaalsContact C-N 3.33Å; I80-F82 PolarHBondContact O-N 2.91Å; I80-L83 PolarHBondContact O-N 3.43Å; I80-N84 WeakPolarHBondContact CG2-ND2 3.27Å; I80-N84 PolarHBondContact O-N 2.84Å; I80-N84 PolarHBondContact O-ND2 2.69Å
81E89.4Confident87.5Confident100 Ų10048.3 Ų48.347%0.46727%0.266SS..Hα-helixtrans-58.6-47.3176.8-176.4-178-179.800111F77 I79 L83 N84 R85F77-E81 WeakPolarHBondContact O-CB 3.29Å; F77-E81 PolarHBondContact O-N 3.21Å; I79-E81 PolarHBondContact O-N 3.44Å; E81-L83 PolarHBondContact O-N 2.9Å; E81-N84 PolarHBondContact O-N 3.16Å; E81-R85 WeakPolarHBondContact O-CG 3.42Å; E81-R85 PolarHBondContact O-N 3.11Å; E81-R85 IonicContact OE1-CZ 3.64Å; E81-R85 VanDerWaalsContact OE1-CZ 3.3Å; E81-R85 IonicContact OE1-NE 2.84Å; E81-R85 PolarHBondContact OE1-NE 3.13Å; E81-R85 IonicContact OE1-NH2 2.78Å; E81-R85 PolarHBondContact OE1-NH2 3.39Å
82F92.9Very high87.5Confident6 Ų647 Ų473%0.02626%0.257CS..Hα-helixtrans-57.6-48.3176.9168.6-102.8000112.7M1 I3 L6 S78 I79 I80 N84 R85 L86 V116 L117 V122 T125M1-F82 HydrophobicContact CE-CB 3.69Å; M1-F82 HydrophobicContact CE-CG 4.12Å; I3-F82 HydrophobicContact CD1-CD1 3.44Å; I3-F82 VanDerWaalsContact CD1-CD1 3.44Å; I3-F82 HydrophobicContact CD1-CE1 3.66Å; I3-F82 HydrophobicContact CD1-CG 4.18Å; L6-F82 HydrophobicContact CD1-CE1 4.2Å; S78-F82 VanDerWaalsContact O-CB 3.27Å; S78-F82 WeakPolarHBondContact O-CB 3.21Å; S78-F82 PolarHBondContact O-N 2.84Å; I79-F82 WeakPolarHBondContact O-CB 3.32Å; I79-F82 PolarHBondContact O-N 2.91Å; I80-F82 VanDerWaalsContact C-N 3.33Å; I80-F82 PolarHBondContact O-N 2.91Å; F82-N84 VanDerWaalsContact C-N 3.3Å; F82-N84 PolarHBondContact O-N 3Å; F82-R85 PolarHBondContact O-N 3.31Å; F82-R85 VanDerWaalsContact O-N 3.15Å; F82-L86 HydrophobicContact CE1-CD2 4.18Å; F82-L86 HydrophobicContact CZ-CB 4.31Å; F82-L86 HydrophobicContact CZ-CD2 4.17Å; F82-L86 WeakPolarHBondContact O-CB 3.44Å; F82-L86 PolarHBondContact O-N 2.91Å; F82-V116 HydrophobicContact CE2-CG1 3.41Å; F82-V116 VanDerWaalsContact CE2-CG1 3.41Å; F82-V116 HydrophobicContact CZ-CG1 3.85Å; F82-L117 HydrophobicContact CE1-CD1 3.7Å; F82-L117 HydrophobicContact CE1-CD2 4.37Å; F82-L117 HydrophobicContact CE1-CG 4.24Å; F82-L117 HydrophobicContact CE2-CD1 4.43Å; F82-L117 HydrophobicContact CE2-CD2 4.22Å; F82-L117 HydrophobicContact CE2-CG 4.11Å; F82-L117 HydrophobicContact CZ-CD1 3.42Å; F82-L117 VanDerWaalsContact CZ-CD1 3.42Å; F82-L117 HydrophobicContact CZ-CD2 3.91Å; F82-L117 HydrophobicContact CZ-CG 3.54Å; F82-V122 HydrophobicContact CB-CG2 4.32Å; F82-V122 HydrophobicContact CD2-CB 4.23Å; F82-V122 HydrophobicContact CD2-CG1 3.72Å; F82-V122 HydrophobicContact CD2-CG2 3.4Å; F82-V122 HydrophobicContact CE2-CB 4.48Å; F82-V122 HydrophobicContact CE2-CG1 3.97Å; F82-V122 HydrophobicContact CE2-CG2 3.8Å; F82-V122 HydrophobicContact CG-CG2 3.82Å; F82-T125 HydrophobicContact CD2-CG2 4.17Å; F82-T125 HydrophobicContact CE2-CG2 4.2Å
83L94.3Very high88.3Confident0 Ų043.4 Ų43.40%023%0.228CC..Hα-helixtrans-60.7-40179-70174.3000111.6L6 I59 W66 A68 I79 I80 E81 L86 S87L6-L83 HydrophobicContact CD1-CD2 3.49Å; L6-L83 VanDerWaalsContact CD1-CD2 3.49Å; I59-L83 VanDerWaalsContact CD1-C 3.4Å; I59-L83 HydrophobicContact CD1-CB 3.63Å; I59-L83 HydrophobicContact CG1-CB 3.86Å; I59-L83 HydrophobicContact CG1-CD1 4.49Å; I59-L83 HydrophobicContact CG2-CB 4.37Å; I59-L83 HydrophobicContact CG2-CD1 4.47Å; W66-L83 HydrophobicContact CB-CD2 4.34Å; A68-L83 HydrophobicContact CB-CD1 4.28Å; A68-L83 HydrophobicContact CB-CD2 4.12Å; A68-L83 HydrophobicContact CB-CG 4.45Å; I79-L83 HydrophobicContact CG2-CD1 4.18Å; I79-L83 HydrophobicContact CG2-CG 4.34Å; I79-L83 VanDerWaalsContact O-CG 3.29Å; I79-L83 WeakPolarHBondContact O-CG 3.21Å; I79-L83 PolarHBondContact O-N 3.24Å; I80-L83 PolarHBondContact O-N 3.43Å; E81-L83 PolarHBondContact O-N 2.9Å; L83-L86 PolarHBondContact O-N 3.2Å; L83-S87 PolarHBondContact O-N 2.96Å; L83-S87 PolarHBondContact O-OG 3.42Å
84N91.3Very high88.9Confident65 Ų6536.2 Ų36.235%0.34819%0.189SC..Hα-helixtrans-66.7-36.5176.6-75.8-67.3000112.1I59 Q61 I80 E81 F82 S87 G88I59-N84 HydrophobicContact CD1-CB 4.28Å; I59-N84 WeakPolarHBondContact CD1-OD1 3.44Å; Q61-N84 PolarHBondContact NE2-OD1 3.47Å; I80-N84 WeakPolarHBondContact CG2-ND2 3.27Å; I80-N84 PolarHBondContact O-N 2.84Å; I80-N84 PolarHBondContact O-ND2 2.69Å; E81-N84 PolarHBondContact O-N 3.16Å; F82-N84 VanDerWaalsContact C-N 3.3Å; F82-N84 PolarHBondContact O-N 3Å; N84-S87 PolarHBondContact O-OG 2.75Å; N84-G88 PolarHBondContact O-N 2.94Å
85R89.8Confident88.9Confident111 Ų11135.8 Ų35.842%0.41919%0.187SC..Hα-helixtrans-69.3-42.6173.9-70.3-175.3-174.4-160.62.6111.4E81 F82 G88 L89 T125E81-R85 WeakPolarHBondContact O-CG 3.42Å; E81-R85 PolarHBondContact O-N 3.11Å; E81-R85 IonicContact OE1-CZ 3.64Å; E81-R85 VanDerWaalsContact OE1-CZ 3.3Å; E81-R85 IonicContact OE1-NE 2.84Å; E81-R85 PolarHBondContact OE1-NE 3.13Å; E81-R85 IonicContact OE1-NH2 2.78Å; E81-R85 PolarHBondContact OE1-NH2 3.39Å; F82-R85 PolarHBondContact O-N 3.31Å; F82-R85 VanDerWaalsContact O-N 3.15Å; R85-G88 WeakPolarHBondContact O-CA 2.73Å; R85-G88 PolarHBondContact O-N 2.99Å; R85-L89 WeakPolarHBondContact O-CG 3.45Å; R85-L89 PolarHBondContact O-N 3.26Å; R85-T125 PolarHBondContact NH1-OG1 3.47Å
86L93.4Very high88.9Confident2 Ų235 Ų351%0.0118%0.181CC..Hα-helixtrans-62.3-44.2178.6177.666.2000111.7L6 W66 F82 L83 G88 L89 V90 L113 V116L6-L86 HydrophobicContact CD1-CD2 4.21Å; L6-L86 HydrophobicContact CD2-CD2 3.59Å; L6-L86 HydrophobicContact CG-CD2 4.48Å; W66-L86 HydrophobicContact CE3-CD2 4.21Å; W66-L86 HydrophobicContact CE3-CG 4.42Å; W66-L86 HydrophobicContact CZ3-CD2 4.14Å; W66-L86 HydrophobicContact CZ3-CG 4.02Å; F82-L86 HydrophobicContact CE1-CD2 4.18Å; F82-L86 HydrophobicContact CZ-CB 4.31Å; F82-L86 HydrophobicContact CZ-CD2 4.17Å; F82-L86 WeakPolarHBondContact O-CB 3.44Å; F82-L86 PolarHBondContact O-N 2.91Å; L83-L86 PolarHBondContact O-N 3.2Å; L86-G88 VanDerWaalsContact C-N 3.3Å; L86-G88 PolarHBondContact O-N 3.19Å; L86-L89 WeakPolarHBondContact O-CB 3.45Å; L86-L89 PolarHBondContact O-N 2.97Å; L86-V90 HydrophobicContact CD1-CG2 4.49Å; L86-V90 WeakPolarHBondContact O-CG2 3.29Å; L86-V90 PolarHBondContact O-N 3.37Å; L86-L113 HydrophobicContact CD1-CD2 3.81Å; L86-L113 HydrophobicContact CD2-CD2 3.8Å; L86-L113 HydrophobicContact CG-CD2 4.44Å; L86-V116 HydrophobicContact CD1-CG1 4.5Å
87S92.9Very high88.9Confident0 Ų034.2 Ų34.20%018%0.175CC..Hα-helixtrans-63.9-37.9175.263.80000111.6Q61 L83 N84 V90 K91 L97Q61-S87 PolarHBondContact NE2-OG 2.66Å; Q61-S87 VanDerWaalsContact OE1-CB 3.28Å; Q61-S87 PolarHBondContact OE1-OG 2.8Å; L83-S87 PolarHBondContact O-N 2.96Å; L83-S87 PolarHBondContact O-OG 3.42Å; N84-S87 PolarHBondContact O-OG 2.75Å; S87-V90 PolarHBondContact O-N 2.83Å; S87-K91 WeakPolarHBondContact O-CB 3.2Å; S87-K91 PolarHBondContact O-N 2.83Å; S87-L97 WeakPolarHBondContact O-CD1 3.22Å; S87-L97 WeakPolarHBondContact O-CD2 3.27Å
88G88.1Confident88.9Confident28 Ų2828.3 Ų28.329%0.28915%0.154SC..Hα-helixtrans-57.3-49169.600000112.7N84 R85 L86 V90 K91 D92N84-G88 PolarHBondContact O-N 2.94Å; R85-G88 WeakPolarHBondContact O-CA 2.73Å; R85-G88 PolarHBondContact O-N 2.99Å; L86-G88 VanDerWaalsContact C-N 3.3Å; L86-G88 PolarHBondContact O-N 3.19Å; G88-V90 PolarHBondContact O-N 3.17Å; G88-K91 VanDerWaalsContact O-CB 3.31Å; G88-K91 WeakPolarHBondContact O-CB 3.24Å; G88-K91 PolarHBondContact O-N 2.78Å; G88-K91 VanDerWaalsContact O-N 3.15Å; G88-D92 WeakPolarHBondContact O-CB 3.24Å; G88-D92 PolarHBondContact O-N 2.81Å
89L89Confident89Confident5 Ų529 Ų293%0.02615%0.152CC..Hα-helixtrans-58.7-46.8176.4-73.7170.2000112.1R85 L86 K91 D92 Y93 V116 S127 L130R85-L89 WeakPolarHBondContact O-CG 3.45Å; R85-L89 PolarHBondContact O-N 3.26Å; L86-L89 WeakPolarHBondContact O-CB 3.45Å; L86-L89 PolarHBondContact O-N 2.97Å; L89-K91 VanDerWaalsContact C-N 3.28Å; L89-K91 PolarHBondContact O-N 2.79Å; L89-D92 WeakPolarHBondContact O-CB 3.29Å; L89-D92 PolarHBondContact O-N 2.95Å; L89-Y93 VanDerWaalsContact O-CD2 3.3Å; L89-Y93 WeakPolarHBondContact O-CD2 3.43Å; L89-Y93 PolarHBondContact O-N 3.21Å; L89-V116 HydrophobicContact CD1-CG2 3.97Å; L89-S127 WeakPolarHBondContact CD2-OG 3.48Å; L89-L130 HydrophobicContact CD1-CD1 3.94Å; L89-L130 HydrophobicContact CD2-CD1 3.92Å
90V90.3Very high88.8Confident1 Ų134.8 Ų34.81%0.00618%0.177CC..Hα-helixtrans-63.5-38177.4174.30000110.7W66 L86 S87 G88 C94 L97 I109W66-V90 HydrophobicContact CH2-CB 3.84Å; W66-V90 HydrophobicContact CH2-CG1 4.08Å; W66-V90 HydrophobicContact CH2-CG2 3.84Å; W66-V90 HydrophobicContact CZ3-CG2 4.11Å; L86-V90 HydrophobicContact CD1-CG2 4.49Å; L86-V90 WeakPolarHBondContact O-CG2 3.29Å; L86-V90 PolarHBondContact O-N 3.37Å; S87-V90 PolarHBondContact O-N 2.83Å; G88-V90 PolarHBondContact O-N 3.17Å; V90-C94 WeakPolarHBondContact O-CB 3.06Å; V90-C94 PolarHBondContact O-N 2.94Å; V90-C94 PolarHBondContact O-SG 2.69Å; V90-C94 VanDerWaalsContact O-SG 3.42Å; V90-L97 HydrophobicContact CB-CD2 4.13Å; V90-L97 HydrophobicContact CG1-CD2 3.91Å; V90-I109 HydrophobicContact CG1-CD1 3.93Å; V90-I109 HydrophobicContact CG1-CG1 4.11Å; V90-I109 HydrophobicContact CG2-CG1 4.41Å
91K87.1Confident88.7Confident59 Ų5933.1 Ų33.126%0.25717%0.169SC..Hα-helixtrans-62.6-44.1174-166.4-171.6175.4-151.40112.1S87 G88 L89 G95 L97 E277S87-K91 WeakPolarHBondContact O-CB 3.2Å; S87-K91 PolarHBondContact O-N 2.83Å; G88-K91 VanDerWaalsContact O-CB 3.31Å; G88-K91 WeakPolarHBondContact O-CB 3.24Å; G88-K91 PolarHBondContact O-N 2.78Å; G88-K91 VanDerWaalsContact O-N 3.15Å; L89-K91 VanDerWaalsContact C-N 3.28Å; L89-K91 PolarHBondContact O-N 2.79Å; K91-G95 CarbonylContact O-C 3.59Å; K91-G95 VanDerWaalsContact O-C 3.31Å; K91-G95 WeakPolarHBondContact O-CA 3.36Å; K91-G95 PolarHBondContact O-N 2.84Å; K91-L97 HydrophobicContact CB-CD1 3.99Å; K91-L97 HydrophobicContact CB-CD2 4.02Å; K91-L97 HydrophobicContact CB-CG 3.65Å; K91-L97 HydrophobicContact CD-CD1 4.46Å; K91-L97 HydrophobicContact CD-CG 4.48Å; K91-L97 HydrophobicContact CG-CD1 4.38Å; K91-L97 HydrophobicContact CG-CG 3.94Å; K91-E277 IonicContact NZ-OE1 3.32Å; K91-E277 IonicContact NZ-OE2 2.65Å; K91-E277 PolarHBondContact NZ-OE2 2.99Å
92D83.5Confident88.8Confident15 Ų1528.4 Ų28.48%0.0815%0.147CC..Hα-helixtrans-60.5-46.7179.7-93.91.2000111.6G88 L89 S127 I174 H278G88-D92 WeakPolarHBondContact O-CB 3.24Å; G88-D92 PolarHBondContact O-N 2.81Å; L89-D92 WeakPolarHBondContact O-CB 3.29Å; L89-D92 PolarHBondContact O-N 2.95Å; D92-S127 PolarHBondContact OD2-OG 2.73Å; D92-I174 HydrophobicContact CB-CD1 3.43Å; D92-I174 VanDerWaalsContact CB-CD1 3.43Å; D92-I174 HydrophobicContact CB-CG1 4.27Å; D92-I174 WeakPolarHBondContact O-CG1 3.22Å; D92-I174 PolarHBondContact O-N 3.11Å; D92-H278 IonicContact OD2-CE1 3.39Å
93Y84.8Confident88.7Confident0 Ų033.2 Ų33.20%017%0.17CC..Hα-helixtrans-77.9-42.1-179.8-82.5-102.8000112.6L89 L108 L112 S127 L130 K131 I134 A138 P173 Q175L89-Y93 VanDerWaalsContact O-CD2 3.3Å; L89-Y93 WeakPolarHBondContact O-CD2 3.43Å; L89-Y93 PolarHBondContact O-N 3.21Å; Y93-L108 HydrophobicContact CD1-CD1 4.07Å; Y93-L112 HydrophobicContact CD1-CD1 4.39Å; Y93-L112 HydrophobicContact CD1-CD2 4.27Å; Y93-L112 HydrophobicContact CD2-CD1 4.26Å; Y93-L112 HydrophobicContact CD2-CD2 4.05Å; Y93-L112 HydrophobicContact CE1-CD2 4.11Å; Y93-L112 HydrophobicContact CE2-CD2 3.9Å; Y93-L112 HydrophobicContact CG-CD1 3.96Å; Y93-L112 HydrophobicContact CG-CD2 4.23Å; Y93-S127 PolarHBondContact OH-O 3.24Å; Y93-L130 VanDerWaalsContact OH-C 3.23Å; Y93-L130 VanDerWaalsContact OH-CB 3.28Å; Y93-L130 WeakPolarHBondContact OH-CB 3.43Å; Y93-K131 WeakPolarHBondContact OH-CA 3.38Å; Y93-K131 PolarHBondContact OH-N 2.81Å; Y93-I134 HydrophobicContact CD1-CG2 4.39Å; Y93-I134 HydrophobicContact CE1-CB 4.03Å; Y93-I134 HydrophobicContact CE1-CG1 4.01Å; Y93-I134 HydrophobicContact CE1-CG2 3.98Å; Y93-A138 WeakPolarHBondContact O-CB 3.28Å; Y93-P173 WeakPolarHBondContact O-CB 3.33Å; Y93-Q175 HydrophobicContact CD1-CG 4.1Å; Y93-Q175 VanDerWaalsContact CE1-CD 3.49Å; Y93-Q175 HydrophobicContact CE1-CG 4.07Å
94C85.6Confident88.5Confident4 Ų436 Ų363%0.02718%0.183CC..Hα-helixtrans-90.1-8.4-177.5-56.50000113.9V90 S96 N105V90-C94 WeakPolarHBondContact O-CB 3.06Å; V90-C94 PolarHBondContact O-N 2.94Å; V90-C94 PolarHBondContact O-SG 2.69Å; V90-C94 VanDerWaalsContact O-SG 3.42Å; C94-S96 PolarHBondContact O-N 2.9Å; C94-N105 VanDerWaalsContact SG-CB 3.57Å
95G80.8Confident88.5Confident4 Ų433.1 Ų33.14%0.04117%0.168CC..SBendtrans78.7-23.9-177.500000115.4K91 T171K91-G95 CarbonylContact O-C 3.59Å; K91-G95 VanDerWaalsContact O-C 3.31Å; K91-G95 WeakPolarHBondContact O-CA 3.36Å; K91-G95 PolarHBondContact O-N 2.84Å; G95-T171 WeakPolarHBondContact CA-O 3.33Å; G95-T171 CarbonylContact O-C 3.54Å; G95-T171 VanDerWaalsContact O-CA 3.24Å; G95-T171 WeakPolarHBondContact O-CA 2.94Å
96S83.9Confident88.7Confident39 Ų3933.7 Ų33.727%0.27317%0.174SC..SBendtrans-150.3154.6177.967.10000111.8C94 A101C94-S96 PolarHBondContact O-N 2.9Å; S96-A101 WeakPolarHBondContact O-CB 3.32Å
97L87.2Confident88.6Confident29 Ų2936.1 Ų36.115%0.15219%0.194CC..  trans-103.2100.7172-69.1177.3000109.4Q61 W66 S87 V90 K91Q61-L97 HydrophobicContact CB-CD1 4.49Å; W66-L97 HydrophobicContact CH2-CD2 4.3Å; W66-L97 HydrophobicContact CZ2-CD2 3.88Å; S87-L97 WeakPolarHBondContact O-CD1 3.22Å; S87-L97 WeakPolarHBondContact O-CD2 3.27Å; V90-L97 HydrophobicContact CB-CD2 4.13Å; V90-L97 HydrophobicContact CG1-CD2 3.91Å; K91-L97 HydrophobicContact CB-CD1 3.99Å; K91-L97 HydrophobicContact CB-CD2 4.02Å; K91-L97 HydrophobicContact CB-CG 3.65Å; K91-L97 HydrophobicContact CD-CD1 4.46Å; K91-L97 HydrophobicContact CD-CG 4.48Å; K91-L97 HydrophobicContact CG-CD1 4.38Å; K91-L97 HydrophobicContact CG-CG 3.94Å
98S89.4Confident88.5Confident41 Ų4136.2 Ų36.229%0.28719%0.194SC..SBendtrans-150.8159.5172.964.80000109.8K100 A101 I102S98-K100 VanDerWaalsContact C-N 3.26Å; S98-K100 PolarHBondContact O-N 3.24Å; S98-A101 WeakPolarHBondContact O-CB 3.28Å; S98-A101 PolarHBondContact O-N 3.2Å; S98-A101 WeakPolarHBondContact OG-CB 3.34Å; S98-A101 PolarHBondContact OG-N 3.02Å; S98-I102 PolarHBondContact O-N 3.41Å; S98-I102 VanDerWaalsContact O-N 3.07Å
99E90.6Very high88.8Confident63 Ų6334.9 Ų34.929%0.29418%0.181SC..Hα-helixtrans-52.4-46.1175.4-174180149.200111.9L16 L64 A101 I102 Q103L16-E99 HydrophobicContact CD1-CB 4.5Å; L16-E99 HydrophobicContact CD1-CG 3.97Å; L16-E99 HydrophobicContact CD2-CG 3.96Å; L64-E99 HydrophobicContact CD2-CB 4.11Å; E99-A101 PolarHBondContact O-N 2.89Å; E99-I102 PolarHBondContact O-N 2.65Å; E99-Q103 WeakPolarHBondContact O-CG 3.35Å; E99-Q103 PolarHBondContact O-N 3.15Å; E99-Q103 PolarHBondContact OE1-NE2 2.81Å
100K89.1Confident89.1Confident120 Ų12038.2 Ų38.252%0.52219%0.194SC..Hα-helixtrans-59.8-43.4176.2-175.6-179179.6-1790112.3S98 I102 Q103 M104S98-K100 VanDerWaalsContact C-N 3.26Å; S98-K100 PolarHBondContact O-N 3.24Å; K100-I102 VanDerWaalsContact C-N 3.33Å; K100-I102 PolarHBondContact O-N 2.54Å; K100-Q103 PolarHBondContact O-N 2.9Å; K100-M104 HydrophobicContact CD-CE 4.47Å; K100-M104 HydrophobicContact CG-CE 3.93Å; K100-M104 HydrophobicContact CG-SD 4.17Å; K100-M104 WeakPolarHBondContact O-CG 3.43Å; K100-M104 PolarHBondContact O-N 3.02Å
101A89.4Confident89.2Confident3 Ų339.9 Ų39.93%0.02520%0.201CC..Hα-helixtrans-62.9-41.5-179.900000111.5S96 S98 E99 N105S96-A101 WeakPolarHBondContact O-CB 3.32Å; S98-A101 WeakPolarHBondContact O-CB 3.28Å; S98-A101 PolarHBondContact O-N 3.2Å; S98-A101 WeakPolarHBondContact OG-CB 3.34Å; S98-A101 PolarHBondContact OG-N 3.02Å; E99-A101 PolarHBondContact O-N 2.89Å; A101-N105 WeakPolarHBondContact O-CB 3.38Å; A101-N105 PolarHBondContact O-N 3.02Å; A101-N105 PolarHBondContact O-ND2 3.33Å
102I91.8Very high89.5Confident2 Ų237.1 Ų37.11%0.0119%0.19CC..Hα-helixtrans-64.8-47.1176.6-65.9-168.6000111.2I8 L16 I17 L64 W66 S98 E99 K100 M104 N105 F106 I109I8-I102 HydrophobicContact CD1-CD1 4.09Å; I8-I102 HydrophobicContact CG2-CD1 3.71Å; L16-I102 HydrophobicContact CB-CG2 3.89Å; L16-I102 HydrophobicContact CD1-CB 4.45Å; L16-I102 HydrophobicContact CD1-CD1 4.46Å; L16-I102 HydrophobicContact CD1-CG2 4.3Å; I17-I102 HydrophobicContact CD1-CG2 4.35Å; I17-I102 HydrophobicContact CG1-CG2 3.78Å; L64-I102 HydrophobicContact CD1-CD1 3.3Å; L64-I102 HydrophobicContact CD1-CG1 4.13Å; W66-I102 HydrophobicContact CH2-CD1 4.47Å; W66-I102 HydrophobicContact CZ2-CD1 4.3Å; S98-I102 PolarHBondContact O-N 3.41Å; S98-I102 VanDerWaalsContact O-N 3.07Å; E99-I102 PolarHBondContact O-N 2.65Å; K100-I102 VanDerWaalsContact C-N 3.33Å; K100-I102 PolarHBondContact O-N 2.54Å; I102-M104 VanDerWaalsContact C-N 3.3Å; I102-M104 PolarHBondContact O-N 3.18Å; I102-N105 CarbonylContact O-C 3.43Å; I102-N105 PolarHBondContact O-N 2.86Å; I102-N105 VanDerWaalsContact O-N 3.1Å; I102-F106 PolarHBondContact O-N 3.01Å; I102-I109 HydrophobicContact CB-CD1 4.06Å; I102-I109 HydrophobicContact CG1-CD1 3.98Å; I102-I109 HydrophobicContact CG2-CD1 3.85Å
103Q91.1Very high90Very high106 Ų10636.5 Ų36.550%0.49519%0.186SC..Hα-helixtrans-60-38.3179.7-73.4172.1-4.500112.8L16 E99 K100 N105L16-Q103 HydrophobicContact CD2-CG 4.09Å; E99-Q103 WeakPolarHBondContact O-CG 3.35Å; E99-Q103 PolarHBondContact O-N 3.15Å; E99-Q103 PolarHBondContact OE1-NE2 2.81Å; K100-Q103 PolarHBondContact O-N 2.9Å; Q103-N105 VanDerWaalsContact C-N 3.32Å
104M90.1Very high90.4Very high58 Ų5841 Ų4129%0.28621%0.21SC..Hα-helixtrans-74.9-21.6178.1-68-178.1-51.800113.4K100 I102 V139K100-M104 HydrophobicContact CD-CE 4.47Å; K100-M104 HydrophobicContact CG-CE 3.93Å; K100-M104 HydrophobicContact CG-SD 4.17Å; K100-M104 WeakPolarHBondContact O-CG 3.43Å; K100-M104 PolarHBondContact O-N 3.02Å; I102-M104 VanDerWaalsContact C-N 3.3Å; I102-M104 PolarHBondContact O-N 3.18Å; M104-V139 HydrophobicContact CB-CB 4.36Å; M104-V139 HydrophobicContact CB-CG1 4.31Å
105N91.4Very high90.7Very high5 Ų544.3 Ų44.33%0.02723%0.225CC..THydrogen-bonded Turntrans-118.426.3-171.2-66.8-80.8000113C94 A101 I102 Q103 A107 L108 I109 A138 V139C94-N105 VanDerWaalsContact SG-CB 3.57Å; A101-N105 WeakPolarHBondContact O-CB 3.38Å; A101-N105 PolarHBondContact O-N 3.02Å; A101-N105 PolarHBondContact O-ND2 3.33Å; I102-N105 CarbonylContact O-C 3.43Å; I102-N105 PolarHBondContact O-N 2.86Å; I102-N105 VanDerWaalsContact O-N 3.1Å; Q103-N105 VanDerWaalsContact C-N 3.32Å; N105-A107 VanDerWaalsContact C-N 3.31Å; N105-A107 PolarHBondContact O-N 2.86Å; N105-L108 HydrophobicContact CB-CB 4.44Å; N105-L108 PolarHBondContact O-N 3.21Å; N105-I109 HydrophobicContact CB-CD1 4.4Å; N105-I109 WeakPolarHBondContact O-CG1 3.43Å; N105-I109 PolarHBondContact O-N 3.15Å; N105-A138 WeakPolarHBondContact OD1-CA 3.4Å; N105-V139 PolarHBondContact ND2-O 3.17Å; N105-V139 PolarHBondContact OD1-N 2.59Å
106F92.8Very high91.3Very high123 Ų12344.1 Ų44.154%0.53922%0.223SC..Hα-helixtrans-55.4-43.7-175.868-88.9000112.7I17 I102 L108 I109 Y110I17-F106 HydrophobicContact CD1-CB 4.34Å; I102-F106 PolarHBondContact O-N 3.01Å; F106-L108 PolarHBondContact O-N 3.01Å; F106-I109 PolarHBondContact O-N 3.02Å; F106-Y110 WeakPolarHBondContact O-CD2 3.32Å; F106-Y110 PolarHBondContact O-N 2.95Å
107A91.5Very high91.7Very high53 Ų5342.4 Ų42.444%0.43821%0.211SC..Hα-helixtrans-61.4-47.6-179.500000111.7N105 I109 Y110 E111N105-A107 VanDerWaalsContact C-N 3.31Å; N105-A107 PolarHBondContact O-N 2.86Å; A107-I109 VanDerWaalsContact C-N 3.33Å; A107-I109 PolarHBondContact O-N 2.81Å; A107-Y110 PolarHBondContact O-N 2.93Å; A107-E111 WeakPolarHBondContact O-CB 3.49Å; A107-E111 PolarHBondContact O-N 2.94Å
108L91.6Very high91.9Very high2 Ų245.9 Ų45.91%0.0123%0.23CC..Hα-helixtrans-62-39.8176.4173.159.7000112Y93 N105 F106 E111 L112 I134 A138Y93-L108 HydrophobicContact CD1-CD1 4.07Å; N105-L108 HydrophobicContact CB-CB 4.44Å; N105-L108 PolarHBondContact O-N 3.21Å; F106-L108 PolarHBondContact O-N 3.01Å; L108-E111 PolarHBondContact O-N 2.97Å; L108-L112 HydrophobicContact CD1-CD1 4.35Å; L108-L112 HydrophobicContact CD1-CG 4.41Å; L108-L112 HydrophobicContact CG-CD1 4.29Å; L108-L112 WeakPolarHBondContact O-CB 3.48Å; L108-L112 WeakPolarHBondContact O-CG 3.39Å; L108-L112 PolarHBondContact O-N 2.86Å; L108-I134 HydrophobicContact CD1-CG2 3.36Å; L108-A138 HydrophobicContact CD2-CB 3.86Å
109I94.1Very high91.9Very high1 Ų149.4 Ų49.41%0.00524%0.238CC..Hα-helixtrans-68.6-42.3178.5-66.1169.2000110.6I17 V90 I102 N105 F106 A107 E111 L112 L113I17-I109 HydrophobicContact CD1-CB 4.4Å; I17-I109 HydrophobicContact CD1-CG2 4.1Å; I17-I109 HydrophobicContact CG1-CG2 4.09Å; I17-I109 HydrophobicContact CG2-CG2 4.5Å; V90-I109 HydrophobicContact CG1-CD1 3.93Å; V90-I109 HydrophobicContact CG1-CG1 4.11Å; V90-I109 HydrophobicContact CG2-CG1 4.41Å; I102-I109 HydrophobicContact CB-CD1 4.06Å; I102-I109 HydrophobicContact CG1-CD1 3.98Å; I102-I109 HydrophobicContact CG2-CD1 3.85Å; N105-I109 HydrophobicContact CB-CD1 4.4Å; N105-I109 WeakPolarHBondContact O-CG1 3.43Å; N105-I109 PolarHBondContact O-N 3.15Å; F106-I109 PolarHBondContact O-N 3.02Å; A107-I109 VanDerWaalsContact C-N 3.33Å; A107-I109 PolarHBondContact O-N 2.81Å; I109-E111 VanDerWaalsContact C-N 3.33Å; I109-E111 PolarHBondContact O-N 2.8Å; I109-L112 PolarHBondContact O-N 2.95Å; I109-L113 HydrophobicContact CG2-CD1 4.38Å; I109-L113 HydrophobicContact CG2-CG 4.4Å; I109-L113 WeakPolarHBondContact O-CB 3.37Å; I109-L113 VanDerWaalsContact O-CG 3.25Å; I109-L113 WeakPolarHBondContact O-CG 3.29Å; I109-L113 PolarHBondContact O-N 3.35Å
110Y94.6Very high91.7Very high74 Ų7446.4 Ų46.429%0.2922%0.224SC..Hα-helixtrans-61.9-42175.4-82.6-66.7000112.1I17 Y18 K19 F106 A107 L113 D114I17-Y110 HydrophobicContact CD1-CD2 4.21Å; I17-Y110 HydrophobicContact CD1-CE2 3.69Å; I17-Y110 HydrophobicContact CG2-CE1 4.12Å; Y18-Y110 PolarHBondContact N-OH 3Å; Y18-Y110 WeakPolarHBondContact O-CE1 3.39Å; Y18-Y110 PolarHBondContact O-OH 2.8Å; K19-Y110 HydrophobicContact CD-CD1 4.4Å; F106-Y110 WeakPolarHBondContact O-CD2 3.32Å; F106-Y110 PolarHBondContact O-N 2.95Å; A107-Y110 PolarHBondContact O-N 2.93Å; Y110-L113 WeakPolarHBondContact O-CB 3.45Å; Y110-L113 PolarHBondContact O-N 3.13Å; Y110-L113 VanDerWaalsContact O-N 3.15Å; Y110-D114 PolarHBondContact O-N 3.22Å; Y110-D114 VanDerWaalsContact O-OD2 3.07Å
111E93.6Very high91.7Very high37 Ų3746.1 Ų46.117%0.17322%0.22CC..Hα-helixtrans-60.7-46.1174.8-167.5-178.6-173.700111.7A107 L108 I109 L113 D114 E115 I134 Q135 S136A107-E111 WeakPolarHBondContact O-CB 3.49Å; A107-E111 PolarHBondContact O-N 2.94Å; L108-E111 PolarHBondContact O-N 2.97Å; I109-E111 VanDerWaalsContact C-N 3.33Å; I109-E111 PolarHBondContact O-N 2.8Å; E111-L113 VanDerWaalsContact C-N 3.27Å; E111-L113 PolarHBondContact O-N 3.03Å; E111-D114 PolarHBondContact O-N 3.3Å; E111-E115 PolarHBondContact O-N 2.8Å; E111-E115 VanDerWaalsContact O-N 3.15Å; E111-I134 HydrophobicContact CB-CD1 4.33Å; E111-I134 HydrophobicContact CG-CD1 3.76Å; E111-I134 WeakPolarHBondContact OE1-CA 3.48Å; E111-Q135 PolarHBondContact OE1-N 3.04Å; E111-S136 WeakPolarHBondContact OE2-CB 3.39Å; E111-S136 PolarHBondContact OE2-N 3.41Å; E111-S136 PolarHBondContact OE2-OG 2.8Å
112L92.7Very high91.8Very high1 Ų148.4 Ų48.41%0.00523%0.234CC..Hα-helixtrans-58-41.4173.2-77.9167.3000111.8Y93 L108 I109 D114 E115 V116 I134Y93-L112 HydrophobicContact CD1-CD1 4.39Å; Y93-L112 HydrophobicContact CD1-CD2 4.27Å; Y93-L112 HydrophobicContact CD2-CD1 4.26Å; Y93-L112 HydrophobicContact CD2-CD2 4.05Å; Y93-L112 HydrophobicContact CE1-CD2 4.11Å; Y93-L112 HydrophobicContact CE2-CD2 3.9Å; Y93-L112 HydrophobicContact CG-CD1 3.96Å; Y93-L112 HydrophobicContact CG-CD2 4.23Å; L108-L112 HydrophobicContact CD1-CD1 4.35Å; L108-L112 HydrophobicContact CD1-CG 4.41Å; L108-L112 HydrophobicContact CG-CD1 4.29Å; L108-L112 WeakPolarHBondContact O-CB 3.48Å; L108-L112 WeakPolarHBondContact O-CG 3.39Å; L108-L112 PolarHBondContact O-N 2.86Å; I109-L112 PolarHBondContact O-N 2.95Å; L112-D114 VanDerWaalsContact C-N 3.35Å; L112-E115 PolarHBondContact O-N 3.01Å; L112-V116 WeakPolarHBondContact O-CB 3.3Å; L112-V116 WeakPolarHBondContact O-CG2 3.39Å; L112-V116 PolarHBondContact O-N 2.68Å; L112-I134 HydrophobicContact CD2-CD1 3.78Å; L112-I134 HydrophobicContact CD2-CG1 3.77Å; L112-I134 HydrophobicContact CG-CD1 4.08Å; L112-I134 HydrophobicContact CG-CG1 4.42Å
113L94.1Very high91.7Very high1 Ų153.6 Ų53.61%0.00526%0.258CS..Hα-helixtrans-65.9-35.5178.5-73.2-176.1000112.9L6 I17 K19 Y21 L86 I109 Y110 E111 L117L6-L113 HydrophobicContact CD2-CD1 3.93Å; L6-L113 HydrophobicContact CD2-CD2 3.23Å; L6-L113 HydrophobicContact CD2-CG 4.22Å; I17-L113 HydrophobicContact CG2-CD1 3.69Å; K19-L113 HydrophobicContact CB-CD1 4.39Å; K19-L113 HydrophobicContact CD-CB 3.97Å; K19-L113 HydrophobicContact CD-CD1 4.22Å; Y21-L113 WeakPolarHBondContact OH-CB 3.32Å; Y21-L113 PolarHBondContact OH-O 3.37Å; L86-L113 HydrophobicContact CD1-CD2 3.81Å; L86-L113 HydrophobicContact CD2-CD2 3.8Å; L86-L113 HydrophobicContact CG-CD2 4.44Å; I109-L113 HydrophobicContact CG2-CD1 4.38Å; I109-L113 HydrophobicContact CG2-CG 4.4Å; I109-L113 WeakPolarHBondContact O-CB 3.37Å; I109-L113 VanDerWaalsContact O-CG 3.25Å; I109-L113 WeakPolarHBondContact O-CG 3.29Å; I109-L113 PolarHBondContact O-N 3.35Å; Y110-L113 WeakPolarHBondContact O-CB 3.45Å; Y110-L113 PolarHBondContact O-N 3.13Å; Y110-L113 VanDerWaalsContact O-N 3.15Å; E111-L113 VanDerWaalsContact C-N 3.27Å; E111-L113 PolarHBondContact O-N 3.03Å; L113-L117 PolarHBondContact O-N 2.93Å
114D92.4Very high91.4Very high95 Ų9552.1 Ų52.151%0.50825%0.252SS..Hα-helixtrans-64.6-40.3174.1-79.2-53.7000112K19 Y110 E111 L112K19-D114 WeakPolarHBondContact CE-OD1 3.4Å; K19-D114 VanDerWaalsContact NZ-CA 3.31Å; K19-D114 VanDerWaalsContact NZ-N 3.1Å; K19-D114 IonicContact NZ-OD1 3.7Å; K19-D114 PolarHBondContact NZ-OD1 2.9Å; K19-D114 IonicContact NZ-OD2 3.36Å; K19-D114 PolarHBondContact NZ-OD2 2.74Å; Y110-D114 PolarHBondContact O-N 3.22Å; Y110-D114 VanDerWaalsContact O-OD2 3.07Å; E111-D114 PolarHBondContact O-N 3.3Å; L112-D114 VanDerWaalsContact C-N 3.35Å
115E92.8Very high91.1Very high74 Ų7450.5 Ų50.535%0.34625%0.245SC..Hα-helixtrans-79.5-29.8-178.6-65.9-59.8144.300113.4E111 L112 L130 F133 I134E111-E115 PolarHBondContact O-N 2.8Å; E111-E115 VanDerWaalsContact O-N 3.15Å; L112-E115 PolarHBondContact O-N 3.01Å; E115-L130 HydrophobicContact CB-CD2 3.63Å; E115-F133 HydrophobicContact CG-CB 4.05Å; E115-I134 HydrophobicContact CB-CD1 4.32Å; E115-I134 HydrophobicContact CG-CD1 3.82Å
116V93.9Very high90.6Very high0 Ų051.8 Ų51.80%025%0.254CS..Hα-helixtrans-84.6-32.8-175.2170.90000112.1F82 L86 L89 L112 Q123 M124 T125 L130F82-V116 HydrophobicContact CE2-CG1 3.41Å; F82-V116 VanDerWaalsContact CE2-CG1 3.41Å; F82-V116 HydrophobicContact CZ-CG1 3.85Å; L86-V116 HydrophobicContact CD1-CG1 4.5Å; L89-V116 HydrophobicContact CD1-CG2 3.97Å; L112-V116 WeakPolarHBondContact O-CB 3.3Å; L112-V116 WeakPolarHBondContact O-CG2 3.39Å; L112-V116 PolarHBondContact O-N 2.68Å; V116-Q123 PolarHBondContact O-N 3.4Å; V116-M124 WeakPolarHBondContact CG2-O 3.49Å; V116-T125 HydrophobicContact CG1-CG2 3.99Å; V116-L130 HydrophobicContact CG2-CD1 3.7Å; V116-L130 HydrophobicContact CG2-CD2 4.18Å
117L92.4Very high90Very high3 Ų346.2 Ų46.22%0.01623%0.231CC..EExtended strand (participates in β ladder)trans-128.6124.3-177.5-79.9171.8000111I3 L6 Y21 F82 L113 Y121 V122I3-L117 HydrophobicContact CD1-CD1 4.44Å; I3-L117 HydrophobicContact CD1-CD2 4.09Å; L6-L117 HydrophobicContact CD2-CD1 4.45Å; Y21-L117 HydrophobicContact CD1-CB 4.16Å; Y21-L117 HydrophobicContact CD2-CD1 4.37Å; Y21-L117 HydrophobicContact CE1-CB 3.44Å; Y21-L117 VanDerWaalsContact CE1-CB 3.44Å; Y21-L117 HydrophobicContact CE1-CD1 4.29Å; Y21-L117 WeakPolarHBondContact CE1-O 3.45Å; Y21-L117 HydrophobicContact CE2-CB 4.25Å; Y21-L117 HydrophobicContact CE2-CD1 3.55Å; Y21-L117 VanDerWaalsContact CZ-CB 3.5Å; Y21-L117 VanDerWaalsContact CZ-CD1 3.5Å; Y21-L117 WeakPolarHBondContact OH-CD1 3.48Å; F82-L117 HydrophobicContact CE1-CD1 3.7Å; F82-L117 HydrophobicContact CE1-CD2 4.37Å; F82-L117 HydrophobicContact CE1-CG 4.24Å; F82-L117 HydrophobicContact CE2-CD1 4.43Å; F82-L117 HydrophobicContact CE2-CD2 4.22Å; F82-L117 HydrophobicContact CE2-CG 4.11Å; F82-L117 HydrophobicContact CZ-CD1 3.42Å; F82-L117 VanDerWaalsContact CZ-CD1 3.42Å; F82-L117 HydrophobicContact CZ-CD2 3.91Å; F82-L117 HydrophobicContact CZ-CG 3.54Å; L113-L117 PolarHBondContact O-N 2.93Å; L117-Y121 WeakPolarHBondContact CA-O 2.98Å; L117-V122 HydrophobicContact CD2-CB 4.4Å; L117-V122 HydrophobicContact CD2-CG2 3.77Å
118D90.8Very high89.1Confident101 Ų10147 Ų4754%0.5423%0.227SC..EExtended strand (participates in β ladder)trans-118.4120.9170.4-176.314.9000109.8G120 Y121 Q123D118-G120 PolarHBondContact O-N 2.84Å; D118-Y121 PolarHBondContact N-O 2.95Å; D118-Y121 WeakPolarHBondContact O-CB 3.49Å; D118-Y121 PolarHBondContact O-N 2.91Å; D118-Q123 HydrophobicContact CB-CG 3.8Å
119Y89.1Confident88.6Confident116 Ų11649.7 Ų49.746%0.45524%0.244SC..THydrogen-bonded Turntrans48.233.8-179.3-161.2-119.5000114.4Y21 R22 Y121Y21-Y119 WeakPolarHBondContact O-CD2 3.41Å; R22-Y119 VanDerWaalsContact CZ-CD1 3.45Å; R22-Y119 PolarHBondContact NE-O 2.72Å; R22-Y119 PolarHBondContact NH1-OH 3.06Å; R22-Y119 PolarHBondContact NH2-O 2.64Å; R22-Y119 VanDerWaalsContact NH2-O 3.13Å; Y119-Y121 HydrophobicContact CD1-CE2 4.29Å
120G87.1Confident88.1Confident0 Ų049.8 Ų49.80%025%0.245CC..THydrogen-bonded Turntrans863-179.800000115.6I3 D118I3-G120 PolarHBondContact N-O 3.4Å; I3-G120 WeakPolarHBondContact O-CA 3.45Å; D118-G120 PolarHBondContact O-N 2.84Å
121Y89.4Confident87.4Confident114 Ų11449.3 Ų49.345%0.44724%0.244SC..EExtended strand (participates in β ladder)trans-101.3131.5174.8-62.4-78.7000110.7M1 R22 L117 D118 Y119 Q123M1-Y121 VanDerWaalsContact O-CD1 3.32Å; M1-Y121 WeakPolarHBondContact O-CD1 3.47Å; R22-Y121 VanDerWaalsContact NH2-CE2 3.34Å; L117-Y121 WeakPolarHBondContact CA-O 2.98Å; D118-Y121 PolarHBondContact N-O 2.95Å; D118-Y121 WeakPolarHBondContact O-CB 3.49Å; D118-Y121 PolarHBondContact O-N 2.91Å; Y119-Y121 HydrophobicContact CD1-CE2 4.29Å; Y121-Q123 PolarHBondContact O-N 2.9Å
122V90.9Very high86.8Confident51 Ų5154.1 Ų54.131%0.30927%0.271SS..EExtended strand (participates in β ladder)trans-72.1119.8177.3-177.10000109.1M1 F82 L117 T125M1-V122 HydrophobicContact CE-CG2 3.6Å; M1-V122 HydrophobicContact SD-CG2 4.13Å; F82-V122 HydrophobicContact CB-CG2 4.32Å; F82-V122 HydrophobicContact CD2-CB 4.23Å; F82-V122 HydrophobicContact CD2-CG1 3.72Å; F82-V122 HydrophobicContact CD2-CG2 3.4Å; F82-V122 HydrophobicContact CE2-CB 4.48Å; F82-V122 HydrophobicContact CE2-CG1 3.97Å; F82-V122 HydrophobicContact CE2-CG2 3.8Å; F82-V122 HydrophobicContact CG-CG2 3.82Å; L117-V122 HydrophobicContact CD2-CB 4.4Å; L117-V122 HydrophobicContact CD2-CG2 3.77Å; V122-T125 HydrophobicContact CG1-CG2 3.71Å
123Q89.1Confident86.4Confident111 Ų11159.2 Ų59.252%0.51929%0.293SS..  trans-96.6-70.5-178.4-59.5-58.4-32.100110.9V116 D118 Y121V116-Q123 PolarHBondContact O-N 3.4Å; D118-Q123 HydrophobicContact CB-CG 3.8Å; Y121-Q123 PolarHBondContact O-N 2.9Å
124M84Confident86Confident74 Ų7459.6 Ų59.637%0.36530%0.295SS..  trans-134.9130.7-176.5-171.175.9-81.400110.7V116 V129 L130V116-M124 WeakPolarHBondContact CG2-O 3.49Å; M124-V129 HydrophobicContact CG-CB 3.93Å; M124-V129 HydrophobicContact CG-CG1 3.83Å; M124-V129 HydrophobicContact SD-CB 3.95Å; M124-V129 HydrophobicContact SD-CG1 3.86Å; M124-V129 HydrophobicContact SD-CG2 4.03Å; M124-L130 HydrophobicContact CB-CD2 4.41Å; M124-L130 HydrophobicContact CG-CG 4.42Å
125T85.8Confident85.7Confident24 Ų2462.3 Ų62.315%0.14731%0.305CS..  trans-121.217.4179.748.90000112.8F82 R85 V116 V122F82-T125 HydrophobicContact CD2-CG2 4.17Å; F82-T125 HydrophobicContact CE2-CG2 4.2Å; R85-T125 PolarHBondContact NH1-OG1 3.47Å; V116-T125 HydrophobicContact CG1-CG2 3.99Å; V122-T125 HydrophobicContact CG1-CG2 3.71Å
126S80.7Confident85.2Confident32 Ų3260.5 Ų60.522%0.22430%0.3CS..  trans-98.3119.7-178.5-179.90000110.9D128 V129 L130S126-D128 PolarHBondContact O-N 2.87Å; S126-V129 PolarHBondContact O-N 3.29Å; S126-L130 WeakPolarHBondContact O-CB 3.26Å; S126-L130 VanDerWaalsContact O-CG 3.27Å; S126-L130 WeakPolarHBondContact O-CG 3.29Å; S126-L130 PolarHBondContact O-N 3.49Å
127S79.6Confident84.6Confident7 Ų766.2 Ų66.25%0.04933%0.327CS..Hα-helixtrans-54.3-39.2178.6-44.70000112.2L89 D92 Y93 V129 K131L89-S127 WeakPolarHBondContact CD2-OG 3.48Å; D92-S127 PolarHBondContact OD2-OG 2.73Å; Y93-S127 PolarHBondContact OH-O 3.24Å; S127-V129 PolarHBondContact O-N 3.38Å; S127-K131 WeakPolarHBondContact O-CB 3.46Å; S127-K131 PolarHBondContact O-N 3.15Å
128D72.3Confident84.1Confident68 Ų6867.3 Ų67.336%0.36434%0.337SS..Hα-helixtrans-64.7-41.2-178.5-73.1-17.9000113.1S126 S274 Q275S126-D128 PolarHBondContact O-N 2.87Å; D128-S274 VanDerWaalsContact OD1-CA 3.29Å; D128-S274 WeakPolarHBondContact OD1-CA 3.46Å; D128-S274 WeakPolarHBondContact OD1-CB 3.38Å; D128-S274 WeakPolarHBondContact OD2-CA 3.23Å; D128-S274 WeakPolarHBondContact OD2-CB 3.41Å; D128-Q275 PolarHBondContact OD1-N 2.79Å
129V80.8Confident83.6Confident60 Ų6066.4 Ų66.436%0.36433%0.334SS..Hα-helixtrans-74.6-46-178.3179.30000108.9M124 S126 S127 K131 N132 F133M124-V129 HydrophobicContact CG-CB 3.93Å; M124-V129 HydrophobicContact CG-CG1 3.83Å; M124-V129 HydrophobicContact SD-CB 3.95Å; M124-V129 HydrophobicContact SD-CG1 3.86Å; M124-V129 HydrophobicContact SD-CG2 4.03Å; S126-V129 PolarHBondContact O-N 3.29Å; S127-V129 PolarHBondContact O-N 3.38Å; V129-K131 PolarHBondContact O-N 3.06Å; V129-N132 PolarHBondContact O-N 3.28Å; V129-F133 HydrophobicContact CG1-CE2 3.9Å; V129-F133 WeakPolarHBondContact O-CD2 3.43Å; V129-F133 WeakPolarHBondContact O-CE2 3.45Å
130L84.6Confident82.7Confident2 Ų263.8 Ų63.81%0.0133%0.333CS..Hα-helixtrans-60.3-30.5179.7-70.4169.5000112.3L89 Y93 E115 V116 M124 S126 N132 F133 I134L89-L130 HydrophobicContact CD1-CD1 3.94Å; L89-L130 HydrophobicContact CD2-CD1 3.92Å; Y93-L130 VanDerWaalsContact OH-C 3.23Å; Y93-L130 VanDerWaalsContact OH-CB 3.28Å; Y93-L130 WeakPolarHBondContact OH-CB 3.43Å; E115-L130 HydrophobicContact CB-CD2 3.63Å; V116-L130 HydrophobicContact CG2-CD1 3.7Å; V116-L130 HydrophobicContact CG2-CD2 4.18Å; M124-L130 HydrophobicContact CB-CD2 4.41Å; M124-L130 HydrophobicContact CG-CG 4.42Å; S126-L130 WeakPolarHBondContact O-CB 3.26Å; S126-L130 VanDerWaalsContact O-CG 3.27Å; S126-L130 WeakPolarHBondContact O-CG 3.29Å; S126-L130 PolarHBondContact O-N 3.49Å; L130-N132 PolarHBondContact O-N 2.95Å; L130-F133 PolarHBondContact O-N 3.39Å; L130-I134 HydrophobicContact CB-CG1 4.48Å; L130-I134 WeakPolarHBondContact O-CG1 3.4Å; L130-I134 PolarHBondContact O-N 3.36Å
131K79.6Confident81.3Confident64 Ų6465.8 Ų65.828%0.27835%0.347SS..THydrogen-bonded Turntrans-55.5-27.7180-167.8176.2-176.7-176.30113.7Y93 S127 V129Y93-K131 WeakPolarHBondContact OH-CA 3.38Å; Y93-K131 PolarHBondContact OH-N 2.81Å; S127-K131 WeakPolarHBondContact O-CB 3.46Å; S127-K131 PolarHBondContact O-N 3.15Å; V129-K131 PolarHBondContact O-N 3.06Å
132N81.1Confident79.7Confident138 Ų13868.1 Ų68.174%0.73836%0.36SS*.THydrogen-bonded Turntrans-80.4-18.3178.6-61.2-41.1000113.6V129 L130V129-N132 PolarHBondContact O-N 3.28Å; L130-N132 PolarHBondContact O-N 2.95Å
133F84.3Confident77.6Confident109 Ų10971.1 Ų71.148%0.47838%0.38SS..THydrogen-bonded Turntrans-102-25.8-177.5-57.3-78.2000112.2E115 V129 L130E115-F133 HydrophobicContact CG-CB 4.05Å; V129-F133 HydrophobicContact CG1-CE2 3.9Å; V129-F133 WeakPolarHBondContact O-CD2 3.43Å; V129-F133 WeakPolarHBondContact O-CE2 3.45Å; L130-F133 PolarHBondContact O-N 3.39Å
134I85.9Confident75.4Confident8 Ų876 Ų764%0.04140%0.4CS..  trans-85.7122.6179.5-55.6-58.5000111.8Y93 L108 E111 L112 E115 L130Y93-I134 HydrophobicContact CD1-CG2 4.39Å; Y93-I134 HydrophobicContact CE1-CB 4.03Å; Y93-I134 HydrophobicContact CE1-CG1 4.01Å; Y93-I134 HydrophobicContact CE1-CG2 3.98Å; L108-I134 HydrophobicContact CD1-CG2 3.36Å; E111-I134 HydrophobicContact CB-CD1 4.33Å; E111-I134 HydrophobicContact CG-CD1 3.76Å; E111-I134 WeakPolarHBondContact OE1-CA 3.48Å; L112-I134 HydrophobicContact CD2-CD1 3.78Å; L112-I134 HydrophobicContact CD2-CG1 3.77Å; L112-I134 HydrophobicContact CG-CD1 4.08Å; L112-I134 HydrophobicContact CG-CG1 4.42Å; E115-I134 HydrophobicContact CB-CD1 4.32Å; E115-I134 HydrophobicContact CG-CD1 3.82Å; L130-I134 HydrophobicContact CB-CG1 4.48Å; L130-I134 WeakPolarHBondContact O-CG1 3.4Å; L130-I134 PolarHBondContact O-N 3.36Å
135Q84.8Confident73.4Confident153 Ų15375.1 Ų75.172%0.71540%0.401SS*.  trans-100.6-29.5179.7-57.2-171.85.700113.4E111E111-Q135 PolarHBondContact OE1-N 3.04Å
136S83.4Confident71.6Confident36 Ų3681 Ų8125%0.25243%0.431SS..PPolyproline II helixtrans-64.4140.1-179.6-60.30000111.4E111 Q175E111-S136 WeakPolarHBondContact OE2-CB 3.39Å; E111-S136 PolarHBondContact OE2-N 3.41Å; E111-S136 PolarHBondContact OE2-OG 2.8Å; S136-Q175 PolarHBondContact O-OE1 3.39Å
137E80.8Confident70.1Confident120 Ų12087.7 Ų87.756%0.56146%0.456SS*.PPolyproline II helixtrans-95.4142.3174-66.8-173.2174.400110.9V139 R178E137-V139 PolarHBondContact O-N 3.25Å; E137-R178 IonicContact OE1-NH1 3.3Å
138A81.3Confident68.3Low26 Ų2692.6 Ų92.622%0.21548%0.482CS..PPolyproline II helixtrans-71.8126.8-179.900000112.3Y93 N105 L108 S140 P173Y93-A138 WeakPolarHBondContact O-CB 3.28Å; N105-A138 WeakPolarHBondContact OD1-CA 3.4Å; L108-A138 HydrophobicContact CD2-CB 3.86Å; A138-S140 PolarHBondContact O-N 3.25Å; A138-P173 HydrophobicContact CB-CB 4.05Å; A138-P173 HydrophobicContact CB-CG 4.25Å
139V81.4Confident67Low81 Ų8194.9 Ų94.949%0.49149%0.493SS..  trans-84.2101.8170.7-1750000108.6M104 N105 E137M104-V139 HydrophobicContact CB-CB 4.36Å; M104-V139 HydrophobicContact CB-CG1 4.31Å; N105-V139 PolarHBondContact ND2-O 3.17Å; N105-V139 PolarHBondContact OD1-N 2.59Å; E137-V139 PolarHBondContact O-N 3.25Å
140S68.8Low65.3Low61 Ų6196.5 Ų96.543%0.42751%0.507SS..  trans-85.9125.7175.4-174.20000110.5A138 K142A138-S140 PolarHBondContact O-N 3.25Å; S140-K142 PolarHBondContact O-N 2.82Å
141S58.5Low63.2Low42 Ų42103.7 Ų103.729%0.29455%0.546SS..  trans-71.698.8163.357.60000108.4P143S141-P143 WeakPolarHBondContact O-CD 3.47Å
142K55.3Low61.4Low164 Ų164106.2 Ų106.271%0.71357%0.567SS**  trans-61.8116.7162.9-69.2-175179.1-178.20107.3S140 F144S140-K142 PolarHBondContact O-N 2.82Å; K142-F144 PolarHBondContact O-N 2.9Å
143P48.5Very low59.9Low113 Ų113103 Ų10373%0.73457%0.565SS**  trans-60.8124.7163.226.2-30.8000106.4S141 S145S141-P143 WeakPolarHBondContact O-CD 3.47Å; P143-S145 PolarHBondContact O-N 2.87Å
144F42.3Very low57.7Low213 Ų213105.8 Ų105.893%0.93459%0.585SS**  trans-57.2108.4175.9-132.1-91.2000107.5K142K142-F144 PolarHBondContact O-N 2.9Å
145S41.6Very low55.4Low57 Ų57115.7 Ų115.740%0.39963%0.628SS.*  trans-108.5120.9177.9-161.50000107.5P143 F147 D148P143-S145 PolarHBondContact O-N 2.87Å; S145-F147 PolarHBondContact O-N 2.8Å; S145-D148 WeakPolarHBondContact O-CB 3.4Å; S145-D148 PolarHBondContact O-N 3.19Å
146L47.7Very low53.3Low148 Ų148112.4 Ų112.478%0.77564%0.635SS**G310 helixtrans-56.6-18.6174.6-102.4145.9000112.6L149L146-L149 HydrophobicContact CD2-CD1 4.21Å
147F49.7Very low51Low172 Ų172114.4 Ų114.475%0.75465%0.654SS**G310 helixtrans-76-15.4174.6-65.3-78.9000114.3S145 L149 S150S145-F147 PolarHBondContact O-N 2.8Å; F147-L149 PolarHBondContact O-N 3.2Å; F147-S150 PolarHBondContact O-N 2.94Å; F147-S150 PolarHBondContact O-OG 3.22Å; F147-S150 VanDerWaalsContact O-OG 3.08Å
148D42.1Very low49.1Very low109 Ų109118.3 Ų118.358%0.58367%0.672SS**G310 helixtrans-75-8.2175.1-113.6-0.3000112.3S145 S150S145-D148 WeakPolarHBondContact O-CB 3.4Å; S145-D148 PolarHBondContact O-N 3.19Å; D148-S150 VanDerWaalsContact C-N 3.33Å
149L44.9Very low47.2Very low116 Ų116121.4 Ų121.461%0.60769%0.688SS**G310 helixtrans-82.2-5.8174.2-68.6169.1000113.5L146 F147 N151 V152L146-L149 HydrophobicContact CD2-CD1 4.21Å; F147-L149 PolarHBondContact O-N 3.2Å; L149-N151 PolarHBondContact O-N 3.45Å; L149-N151 VanDerWaalsContact O-N 3.1Å; L149-V152 PolarHBondContact O-N 2.85Å; L149-V152 VanDerWaalsContact O-N 3.15Å
150S44.5Very low45.2Very low94 Ų94126.7 Ų126.766%0.65771%0.708SS**G310 helixtrans-72.72179.4670000114.3F147 D148 V152F147-S150 PolarHBondContact O-N 2.94Å; F147-S150 PolarHBondContact O-OG 3.22Å; F147-S150 VanDerWaalsContact O-OG 3.08Å; D148-S150 VanDerWaalsContact C-N 3.33Å; S150-V152 PolarHBondContact O-N 2.91Å
151N40.9Very low43.9Very low153 Ų153131.7 Ų131.782%0.81872%0.724SS**G310 helixtrans-76.1-2.5166.5-76.8-10.9000113.1L149 G153L149-N151 PolarHBondContact O-N 3.45Å; L149-N151 VanDerWaalsContact O-N 3.1Å; N151-G153 PolarHBondContact O-N 2.9Å
152V42.5Very low43Very low118 Ų118136 Ų13672%0.71574%0.744SS**SBendtrans-83.999.7159.8-173.90000107.3L149 S150 L154L149-V152 PolarHBondContact O-N 2.85Å; L149-V152 VanDerWaalsContact O-N 3.15Å; S150-V152 PolarHBondContact O-N 2.91Å; V152-L154 PolarHBondContact O-N 3.15Å; V152-L154 VanDerWaalsContact O-N 3.08Å
153G49.2Very low42.6Very low69 Ų69137.1 Ų137.171%0.71175%0.749SS**  trans-49.7113.5-175.200000113N151N151-G153 PolarHBondContact O-N 2.9Å
154L36.7Very low42.5Very low168 Ų168137 Ų13788%0.8875%0.746SS**  trans-113.3118.8159.9-138.779.3000107.5V152V152-L154 PolarHBondContact O-N 3.15Å; V152-L154 VanDerWaalsContact O-N 3.08Å
155F37.6Very low42.9Very low216 Ų216128.6 Ų128.695%0.94772%0.716SS**SBendtrans-48.9134.3-175.8-79.7-108.3000113.3
156G42.1Very low43.4Very low85 Ų85128.2 Ų128.288%0.87671%0.712SS**  trans97.727.6143.900000120
157A34.9Very low43.7Very low77 Ų77127 Ų12764%0.63672%0.715SS**  trans-12472.5171.900000113T159A157-T159 HydrophobicContact CB-CG2 4.46Å; A157-T159 PolarHBondContact O-N 3.35Å
158E40.4Very low43.9Very low203 Ų203121.8 Ų121.895%0.94970%0.7SS**  trans-67.777.2159.9-67.5-167.1160.200109.6
159T42Very low44.5Very low90 Ų90116.9 Ų116.955%0.55268%0.675SS**  trans-107.596.2179.346.80000110.5A157 Q161A157-T159 HydrophobicContact CB-CG2 4.46Å; A157-T159 PolarHBondContact O-N 3.35Å; T159-Q161 PolarHBondContact O-N 3.36Å
160Q39.5Very low45Very low192 Ų192113.4 Ų113.490%0.89766%0.663SS**SBendtrans33.223.1148.4-58.7-164.71.700121.2N162Q160-N162 VanDerWaalsContact C-N 3.27Å; Q160-N162 PolarHBondContact O-N 3.15Å
161Q41.4Very low45.8Very low167 Ų167112.4 Ų112.478%0.7865%0.653SS**G310 helixtrans-82.3-0.7-177.6-85.8168.8-1600114T159 K163T159-Q161 PolarHBondContact O-N 3.36Å; Q161-K163 PolarHBondContact O-N 3.18Å; Q161-K163 VanDerWaalsContact O-N 3.15Å
162N39.8Very low47Very low133 Ų133108.6 Ų108.671%0.71163%0.628SS**G310 helixtrans-80.39.5-174.4-138.78000114.7Q160Q160-N162 VanDerWaalsContact C-N 3.27Å; Q160-N162 PolarHBondContact O-N 3.15Å
163K45.8Very low47.8Very low186 Ų186103.4 Ų103.481%0.80960%0.596SS**G310 helixtrans-116.53.5-177.1-69-171.7179.4179.70114.7Q161Q161-K163 PolarHBondContact O-N 3.18Å; Q161-K163 VanDerWaalsContact O-N 3.15Å
164V47.7Very low48.5Very low112 Ų112100.7 Ų100.768%0.67957%0.565SS**SBendtrans-130.7126.8-179.2-170.50000109.3
165A49.6Very low49.5Very low35 Ų3593.9 Ų93.929%0.28953%0.529SS..  trans-57.7136173.500000110.5S167 F187 W428A165-S167 PolarHBondContact O-N 3.31Å; A165-F187 HydrophobicContact CB-CD1 4.15Å; A165-F187 HydrophobicContact CB-CE1 3.61Å; A165-W428 HydrophobicContact CB-CD2 3.87Å; A165-W428 HydrophobicContact CB-CE3 3.96Å; A165-W428 HydrophobicContact CB-CG 4.2Å; A165-W428 HydrophobicContact CB-CZ3 4.42Å
166P53.4Low50.1Low49 Ų4987.7 Ų87.732%0.31851%0.512SS..  trans-58.6129.1173.818.1-28.4000111.2S168 A169P166-S168 PolarHBondContact O-N 2.96Å; P166-A169 VanDerWaalsContact O-CB 3.26Å; P166-A169 WeakPolarHBondContact O-CB 3.33Å; P166-A169 PolarHBondContact O-N 2.77Å
167S52.1Low50.3Low122 Ų12286.5 Ų86.585%0.85349%0.49SS*.G310 helixtrans-55.5-28-178-169.10000113.3A165 A169A165-S167 PolarHBondContact O-N 3.31Å; S167-A169 VanDerWaalsContact C-N 3.25Å; S167-A169 PolarHBondContact O-N 2.88Å
168S54.7Low50.8Low63 Ų6392.1 Ų92.144%0.44150%0.495SS..G310 helixtrans-73.1-7.9177.459.20000114.8P166 A170 T171 R172P166-S168 PolarHBondContact O-N 2.96Å; S168-A170 PolarHBondContact O-N 3.15Å; S168-T171 PolarHBondContact O-N 2.87Å; S168-T171 VanDerWaalsContact O-N 3.09Å; S168-T171 PolarHBondContact O-OG1 2.93Å; S168-R172 WeakPolarHBondContact O-CG 3.37Å
169A54.8Low50.9Low7 Ų788.6 Ų88.66%0.05848%0.483CS..G310 helixtrans-59.3-29179.600000112.6P166 S167 T171 F187 Y218P166-A169 VanDerWaalsContact O-CB 3.26Å; P166-A169 WeakPolarHBondContact O-CB 3.33Å; P166-A169 PolarHBondContact O-N 2.77Å; S167-A169 VanDerWaalsContact C-N 3.25Å; S167-A169 PolarHBondContact O-N 2.88Å; A169-T171 PolarHBondContact O-N 3.47Å; A169-F187 HydrophobicContact CB-CE1 4.01Å; A169-F187 HydrophobicContact CB-CE2 3.98Å; A169-F187 HydrophobicContact CB-CZ 3.7Å; A169-Y218 PolarHBondContact O-OH 2.91Å
170A54.9Low50.9Low42 Ų4291 Ų9135%0.34750%0.5SS..G310 helixtrans-71.8-12.8178.800000114.6S168S168-A170 PolarHBondContact O-N 3.15Å
171T61.5Low51.3Low74 Ų7485.1 Ų85.145%0.45449%0.491SS..G310 helixtrans-12416.8-171.858.80000113.2G95 S168 A169G95-T171 WeakPolarHBondContact CA-O 3.33Å; G95-T171 CarbonylContact O-C 3.54Å; G95-T171 VanDerWaalsContact O-CA 3.24Å; G95-T171 WeakPolarHBondContact O-CA 2.94Å; S168-T171 PolarHBondContact O-N 2.87Å; S168-T171 VanDerWaalsContact O-N 3.09Å; S168-T171 PolarHBondContact O-OG1 2.93Å; A169-T171 PolarHBondContact O-N 3.47Å
172R67.3Low51.9Low73 Ų7379.5 Ų79.528%0.27548%0.478SS..  trans-85.7127.3-178.5-70.4-176.5-163.6161.52.7111.6S168 E185 Y218S168-R172 WeakPolarHBondContact O-CG 3.37Å; R172-E185 IonicContact CZ-OE2 3.11Å; R172-E185 IonicContact NH1-OE2 2.69Å; R172-E185 PolarHBondContact NH1-OE2 3.43Å; R172-E185 IonicContact NH2-OE2 3.33Å; R172-Y218 HydrophobicContact CB-CE1 3.85Å
173P59Low53.2Low8 Ų880.5 Ų80.55%0.05248%0.476CS..  trans-55.7147.9168.3-29.237.7000114Y93 A138Y93-P173 WeakPolarHBondContact O-CB 3.33Å; A138-P173 HydrophobicContact CB-CB 4.05Å; A138-P173 HydrophobicContact CB-CG 4.25Å
174I62.3Low54.7Low13 Ų1373.2 Ų73.27%0.06745%0.448CS..THydrogen-bonded Turntrans-68.9-33.3173.6-66.8174.3000112.5D92 Q275 G276D92-I174 HydrophobicContact CB-CD1 3.43Å; D92-I174 VanDerWaalsContact CB-CD1 3.43Å; D92-I174 HydrophobicContact CB-CG1 4.27Å; D92-I174 WeakPolarHBondContact O-CG1 3.22Å; D92-I174 PolarHBondContact O-N 3.11Å; I174-Q275 HydrophobicContact CG2-CB 3.91Å; I174-G276 VanDerWaalsContact CG1-CA 3.45Å
175Q57.9Low56.5Low25 Ų2568 Ų6812%0.11742%0.417CS..THydrogen-bonded Turntrans-89.30.8-171.4-82.4-176.6-3000115.3Y93 S136 S177Y93-Q175 HydrophobicContact CD1-CG 4.1Å; Y93-Q175 VanDerWaalsContact CE1-CD 3.49Å; Y93-Q175 HydrophobicContact CE1-CG 4.07Å; S136-Q175 PolarHBondContact O-OE1 3.39Å; Q175-S177 PolarHBondContact O-N 2.96Å
176S51Low58.3Low86 Ų8666.4 Ų66.460%0.60140%0.403SS*.  trans-71.417.6-174.971.50000115
177S45.8Very low60Low59 Ų5964.5 Ų64.541%0.41339%0.39SS..  trans-129.254.9-170.277.70000113.5Q175Q175-S177 PolarHBondContact O-N 2.96Å
178R44.8Very low62Low195 Ų19558.7 Ų58.774%0.73635%0.349SS*.  trans-82.66.4148.5-74.7-174.3178.3173.10.9112.4E137E137-R178 IonicContact OE1-NH1 3.3Å
179D42.5Very low63.9Low129 Ų12956 Ų5669%0.6933%0.33SS*.SBendtrans-84.8125.9168.7-93.5-26.6000111.6G181D179-G181 PolarHBondContact O-N 3.2Å
180P42Very low65.9Low141 Ų14155.7 Ų55.792%0.91633%0.327SS*.THydrogen-bonded Turntrans-61.84176.5-21.631.7000116.1
181G47.9Very low67.9Low69 Ų6955.1 Ų55.171%0.71132%0.318SS*.THydrogen-bonded Turntrans-11811.5-173.400000115.7D179 K183D179-G181 PolarHBondContact O-N 3.2Å; G181-K183 PolarHBondContact O-N 2.72Å
182G56Low69.6Low48 Ų4851.6 Ų51.650%0.49530%0.296SS..  trans-57.2122.1179.100000112.5S184G182-S184 PolarHBondContact O-N 3.38Å
183K65.9Low71.1Confident155 Ų15552.8 Ų52.867%0.67430%0.304SS*.  trans-62.9120.9176.6-67-178.5-179.6178.60109.4G181 E185G181-K183 PolarHBondContact O-N 2.72Å; K183-E185 HydrophobicContact CB-CG 3.94Å; K183-E185 WeakPolarHBondContact CD-OE1 3.47Å; K183-E185 PolarHBondContact O-N 2.8Å
184S77.6Confident72.8Confident32 Ų3252.5 Ų52.522%0.22430%0.301CS..  trans-7395.7175.9-67.70000109.9G182 S425 Q426G182-S184 PolarHBondContact O-N 3.38Å; S184-S425 WeakPolarHBondContact O-CA 3.42Å; S184-Q426 PolarHBondContact O-N 3.35Å; S184-Q426 VanDerWaalsContact O-N 3.13Å
185E85Confident74.4Confident4 Ų453.1 Ų53.12%0.01931%0.307CS..EExtended strand (participates in β ladder)trans-120139.1-175.7-61.4176.9171.800110.4R172 K183 F187 Y218 Q426R172-E185 IonicContact CZ-OE2 3.11Å; R172-E185 IonicContact NH1-OE2 2.69Å; R172-E185 PolarHBondContact NH1-OE2 3.43Å; R172-E185 IonicContact NH2-OE2 3.33Å; K183-E185 HydrophobicContact CB-CG 3.94Å; K183-E185 WeakPolarHBondContact CD-OE1 3.47Å; K183-E185 PolarHBondContact O-N 2.8Å; E185-F187 HydrophobicContact CB-CE2 3.69Å; E185-F187 HydrophobicContact CB-CZ 3.97Å; E185-F187 WeakPolarHBondContact OE2-CZ 3.42Å; E185-Y218 PolarHBondContact O-N 2.87Å; E185-Q426 WeakPolarHBondContact CA-O 3.38Å; E185-Q426 HydrophobicContact CG-CB 4.26Å
186I87.4Confident76.3Confident0 Ų052 Ų520%030%0.302CS..EExtended strand (participates in β ladder)trans-125.1134.4167.7-65.2173.1000109.4V188 V215 K216 M219 M225 L415 L417 Q426 W428I186-V188 HydrophobicContact CG2-CG2 4.22Å; I186-V215 HydrophobicContact CG2-CG1 4.28Å; I186-K216 WeakPolarHBondContact CA-O 3.45Å; I186-M219 HydrophobicContact CD1-CE 3.22Å; I186-M219 HydrophobicContact CD1-CG 4.13Å; I186-M219 HydrophobicContact CD1-SD 3.59Å; I186-M219 VanDerWaalsContact CD1-SD 3.59Å; I186-M219 HydrophobicContact CG1-CE 4.01Å; I186-M219 HydrophobicContact CG1-CG 3.83Å; I186-M219 HydrophobicContact CG1-SD 3.84Å; I186-M225 HydrophobicContact CG2-SD 4.42Å; I186-L415 HydrophobicContact CG2-CD2 4.21Å; I186-L417 HydrophobicContact CD1-CD1 3.52Å; I186-L417 HydrophobicContact CD1-CD2 3.33Å; I186-L417 HydrophobicContact CD1-CG 4.04Å; I186-Q426 PolarHBondContact N-O 3.02Å; I186-W428 PolarHBondContact O-N 2.92Å
187F90.4Very high78.5Confident10 Ų1049.3 Ų49.34%0.04428%0.282CS..EExtended strand (participates in β ladder)trans-115.9132.7172-50.5-95.7000109.2A165 A169 E185 V215 K216 Y218 W428A165-F187 HydrophobicContact CB-CD1 4.15Å; A165-F187 HydrophobicContact CB-CE1 3.61Å; A169-F187 HydrophobicContact CB-CE1 4.01Å; A169-F187 HydrophobicContact CB-CE2 3.98Å; A169-F187 HydrophobicContact CB-CZ 3.7Å; E185-F187 HydrophobicContact CB-CE2 3.69Å; E185-F187 HydrophobicContact CB-CZ 3.97Å; E185-F187 WeakPolarHBondContact OE2-CZ 3.42Å; F187-V215 CarbonylContact O-C 3.55Å; F187-V215 WeakPolarHBondContact O-CA 3.49Å; F187-K216 HydrophobicContact CB-CB 4.1Å; F187-K216 HydrophobicContact CD2-CB 4.18Å; F187-K216 PolarHBondContact N-O 2.91Å; F187-K216 PolarHBondContact O-N 2.93Å; F187-Y218 AromaticContact CD2-CD2 3.92Å; F187-Y218 HydrophobicContact CD2-CD2 3.92Å; F187-Y218 AromaticContact CD2-CE2 3.78Å; F187-Y218 HydrophobicContact CD2-CE2 3.78Å; F187-Y218 AromaticContact CE2-CD2 3.71Å; F187-Y218 HydrophobicContact CE2-CD2 3.71Å; F187-Y218 AromaticContact CE2-CE2 3.76Å; F187-Y218 HydrophobicContact CE2-CE2 3.76Å; F187-W428 CarbonylContact C-O 3.52Å; F187-W428 WeakPolarHBondContact CA-O 3.24Å; F187-W428 HydrophobicContact CB-CB 4.45Å; F187-W428 HydrophobicContact CD1-CB 3.42Å; F187-W428 VanDerWaalsContact CD1-CB 3.42Å; F187-W428 AromaticContact CD1-CD1 3.56Å; F187-W428 AromaticContact CD1-CG 3.61Å; F187-W428 HydrophobicContact CD1-CG 3.61Å; F187-W428 HydrophobicContact CE1-CB 3.88Å; F187-W428 AromaticContact CE1-CD1 3.14Å; F187-W428 HydrophobicContact CE1-CD2 4.29Å; F187-W428 AromaticContact CE1-CG 3.5Å; F187-W428 HydrophobicContact CE1-CG 3.5Å; F187-W428 AromaticContact CE1-NE1 3.72Å; F187-W428 HydrophobicContact CG-CB 4.21Å; F187-W428 AromaticContact CZ-CD1 3.68Å; F187-W428 HydrophobicContact CZ-CG 4.44Å
188V93.9Very high80.9Confident0 Ų047 Ų470%027%0.265CS..EExtended strand (participates in β ladder)trans-117.6111.1168.9-168.10000107.9I186 V213 R214 V215 I227 I412 L415 W428 V429 R430I186-V188 HydrophobicContact CG2-CG2 4.22Å; V188-V213 HydrophobicContact CG1-CG1 3.74Å; V188-R214 CarbonylContact C-O 3.57Å; V188-R214 WeakPolarHBondContact CA-O 3.48Å; V188-V215 HydrophobicContact CG1-CG2 4.34Å; V188-V215 HydrophobicContact CG2-CG2 4.38Å; V188-I227 HydrophobicContact CG1-CD1 4.33Å; V188-I412 HydrophobicContact CB-CD1 3.97Å; V188-I412 HydrophobicContact CG1-CD1 3.3Å; V188-L415 HydrophobicContact CG2-CD1 4.13Å; V188-L415 HydrophobicContact CG2-CD2 3.82Å; V188-W428 PolarHBondContact N-O 2.98Å; V188-V429 HydrophobicContact CB-CG2 4.45Å; V188-V429 VanDerWaalsContact O-CA 3.29Å; V188-V429 WeakPolarHBondContact O-CA 3.43Å; V188-R430 PolarHBondContact O-N 2.81Å
189D94.7Very high83.3Confident7 Ų738 Ų384%0.03723%0.232CC..EExtended strand (participates in β ladder)trans-99.7123.3179.1-70-29.3000108.7I191 V213 R214 K216 R430D189-I191 HydrophobicContact CB-CD1 4.01Å; D189-I191 HydrophobicContact CB-CG1 3.93Å; D189-V213 WeakPolarHBondContact O-CA 3.34Å; D189-R214 HydrophobicContact CB-CB 4.35Å; D189-R214 PolarHBondContact N-O 3.37Å; D189-R214 PolarHBondContact O-N 2.94Å; D189-K216 WeakPolarHBondContact OD2-CE 3.46Å; D189-K216 IonicContact OD2-NZ 3.93Å; D189-K216 PolarHBondContact OD2-NZ 2.7Å; D189-R430 CarbonylContact C-O 3.58Å; D189-R430 WeakPolarHBondContact CA-O 3.45Å; D189-R430 VanDerWaalsContact CG-NH2 3.27Å; D189-R430 WeakPolarHBondContact OD1-CB 3.2Å; D189-R430 IonicContact OD1-CZ 2.8Å; D189-R430 IonicContact OD1-NE 3.32Å; D189-R430 PolarHBondContact OD1-NE 3.12Å; D189-R430 IonicContact OD1-NH2 3.48Å; D189-R430 PolarHBondContact OD1-NH2 2.8Å; D189-R430 IonicContact OD2-CZ 3.99Å; D189-R430 IonicContact OD2-NE 3.91Å; D189-R430 IonicContact OD2-NH2 3.8Å; D189-R430 PolarHBondContact OD2-NH2 2.94Å
190V96.9Very high85.7Confident0 Ų036 Ų360%023%0.228CC..EExtended strand (participates in β ladder)trans-97.6107.9164.2-176.70000106.8Y283 T406 L410 I412 R430 Y431 V432V190-Y283 WeakPolarHBondContact CG1-OH 3.31Å; V190-T406 HydrophobicContact CG1-CG2 3.91Å; V190-L410 HydrophobicContact CG1-CD2 3.98Å; V190-I412 HydrophobicContact CG2-CD1 3.74Å; V190-I412 HydrophobicContact CG2-CG1 3.94Å; V190-R430 PolarHBondContact N-O 2.95Å; V190-Y431 HydrophobicContact CB-CD1 3.65Å; V190-Y431 HydrophobicContact CB-CE1 4.08Å; V190-Y431 HydrophobicContact CG1-CD1 4.17Å; V190-Y431 HydrophobicContact CG2-CD1 3.86Å; V190-Y431 HydrophobicContact CG2-CE1 3.75Å; V190-Y431 WeakPolarHBondContact O-CA 3.48Å; V190-V432 PolarHBondContact O-N 3.01Å
191I96.8Very high88.1Confident29 Ų2935 Ų3515%0.14922%0.215CC..EExtended strand (participates in β ladder)trans-112.9122-175.1-56.4170.4000107.6D189 G211 E212 V432D189-I191 HydrophobicContact CB-CD1 4.01Å; D189-I191 HydrophobicContact CB-CG1 3.93Å; I191-G211 CarbonylContact O-C 3.31Å; I191-G211 WeakPolarHBondContact O-CA 3.43Å; I191-E212 PolarHBondContact N-O 2.86Å; I191-E212 PolarHBondContact O-N 3.14Å; I191-V432 WeakPolarHBondContact CA-O 3.4Å; I191-V432 HydrophobicContact CG1-CG1 4.37Å; I191-V432 HydrophobicContact CG2-CG1 4.15Å
192E97.3Very high90.1Very high0 Ų034.1 Ų34.10%021%0.206CC..EExtended strand (participates in β ladder)trans-115.2145.5173.8-71.3-174.7178.100110.9I209 E210 Y283 G407 T408 V432 T433 H434E192-I209 HydrophobicContact CB-CG2 3.85Å; E192-I209 HydrophobicContact CG-CG2 3.85Å; E192-E210 CarbonylContact C-O 3.54Å; E192-E210 WeakPolarHBondContact CA-O 3.36Å; E192-Y283 HydrophobicContact CG-CE2 4.35Å; E192-Y283 VanDerWaalsContact CG-OH 3.32Å; E192-Y283 WeakPolarHBondContact CG-OH 3.47Å; E192-Y283 PolarHBondContact OE1-OH 3.5Å; E192-G407 WeakPolarHBondContact OE2-CA 3.39Å; E192-G407 PolarHBondContact OE2-N 3.09Å; E192-T408 WeakPolarHBondContact OE1-CB 3.47Å; E192-T408 WeakPolarHBondContact OE1-CG2 3.2Å; E192-T408 PolarHBondContact OE1-N 3.18Å; E192-T408 PolarHBondContact OE1-OG1 2.87Å; E192-T408 PolarHBondContact OE2-N 3.44Å; E192-V432 PolarHBondContact N-O 2.83Å; E192-T433 HydrophobicContact CB-CG2 3.94Å; E192-T433 CarbonylContact O-C 3.54Å; E192-T433 VanDerWaalsContact O-CA 3.31Å; E192-T433 WeakPolarHBondContact O-CA 3.47Å; E192-H434 PolarHBondContact O-N 2.95Å
193K97Very high91.8Very high99 Ų9935.7 Ų35.743%0.4321%0.206SC..EExtended strand (participates in β ladder)trans-120121.8173.7-75.2-173.6-178.4-176.30108.4I209 E210 H434 D436K193-I209 WeakPolarHBondContact O-CA 3.16Å; K193-E210 HydrophobicContact CB-CB 4.47Å; K193-E210 PolarHBondContact N-O 3.27Å; K193-E210 PolarHBondContact O-N 2.98Å; K193-H434 WeakPolarHBondContact CA-O 3.41Å; K193-D436 HydrophobicContact CB-CB 4.09Å
194M95.8Very high93.2Very high1 Ų131.6 Ų31.61%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-105.5127.7-174.7177.1172.2-76.500111.3V196 I209 L289 P294 W405 T433 H434 D436 S437 Y438M194-V196 HydrophobicContact CG-CG2 3.52Å; M194-V196 HydrophobicContact SD-CG2 3.77Å; M194-I209 HydrophobicContact CE-CD1 3.82Å; M194-I209 HydrophobicContact CE-CG1 4.07Å; M194-L289 HydrophobicContact CE-CD1 4.39Å; M194-L289 HydrophobicContact CE-CD2 4.32Å; M194-P294 HydrophobicContact SD-CG 4.07Å; M194-W405 HydrophobicContact CE-CH2 3.81Å; M194-W405 HydrophobicContact CE-CZ3 3.96Å; M194-T433 HydrophobicContact CB-CG2 4.2Å; M194-H434 PolarHBondContact N-O 2.82Å; M194-D436 PolarHBondContact O-N 3.29Å; M194-S437 PolarHBondContact O-N 3.38Å; M194-Y438 HydrophobicContact CG-CD2 4.48Å; M194-Y438 HydrophobicContact SD-CD2 4.32Å; M194-Y438 HydrophobicContact SD-CE2 4.06Å
195S96.8Very high93.9Very high27 Ų2735 Ų3519%0.18921%0.205CC..EExtended strand (participates in β ladder)trans-119.7109.6174.8-80.40000110.3A207 D208 D436 S437S195-A207 CarbonylContact O-C 3.41Å; S195-A207 WeakPolarHBondContact O-CA 3.4Å; S195-D208 PolarHBondContact N-O 3.08Å; S195-D208 PolarHBondContact O-N 2.87Å; S195-D436 PolarHBondContact OG-OD2 2.76Å; S195-S437 CarbonylContact C-O 3.46Å; S195-S437 WeakPolarHBondContact CA-O 3.31Å; S195-S437 PolarHBondContact OG-N 2.84Å
196V96.7Very high94.4Very high0 Ų039.2 Ų39.20%022%0.223CC..EExtended strand (participates in β ladder)trans-129.5136.3-171.2166.90000110.6M194 I198 L204 K206 A207 P293 S437 Y438 I439M194-V196 HydrophobicContact CG-CG2 3.52Å; M194-V196 HydrophobicContact SD-CG2 3.77Å; V196-I198 HydrophobicContact CG1-CD1 4.19Å; V196-I198 HydrophobicContact CG1-CG1 3.75Å; V196-L204 HydrophobicContact CG1-CD1 3.71Å; V196-K206 CarbonylContact C-O 3.57Å; V196-K206 WeakPolarHBondContact CA-O 3.31Å; V196-A207 HydrophobicContact CG2-CB 4.09Å; V196-P293 HydrophobicContact CG1-CB 4.49Å; V196-S437 PolarHBondContact N-O 2.86Å; V196-Y438 HydrophobicContact CB-CD2 3.64Å; V196-Y438 HydrophobicContact CB-CE2 3.63Å; V196-Y438 HydrophobicContact CB-CG 4.25Å; V196-Y438 HydrophobicContact CG1-CD2 4.18Å; V196-Y438 HydrophobicContact CG1-CE1 4.35Å; V196-Y438 HydrophobicContact CG1-CE2 3.75Å; V196-Y438 HydrophobicContact CG2-CD2 4.08Å; V196-Y438 HydrophobicContact CG2-CE2 3.87Å; V196-I439 PolarHBondContact O-N 2.84Å
197V97Very high94.7Very high31 Ų3139.3 Ų39.319%0.18822%0.223CC..EExtended strand (participates in β ladder)trans-122.3120.5170.4-176.20000109.3M205 K206 I439V197-M205 HydrophobicContact CB-CB 4.4Å; V197-M205 HydrophobicContact CG1-CB 4.3Å; V197-M205 HydrophobicContact CG1-SD 4.34Å; V197-M205 WeakPolarHBondContact O-CB 3.44Å; V197-M205 PolarHBondContact O-N 3.28Å; V197-K206 HydrophobicContact CB-CB 4.09Å; V197-K206 HydrophobicContact CG2-CB 4.24Å; V197-K206 PolarHBondContact N-O 2.81Å; V197-K206 PolarHBondContact O-N 2.76Å; V197-I439 CarbonylContact C-O 3.51Å; V197-I439 WeakPolarHBondContact CA-O 3.28Å
198I96.7Very high95Very high11 Ų1140 Ų406%0.05623%0.228CC..EExtended strand (participates in β ladder)trans-109.4129.3174.9-54.3-178.2000108.3V196 L204 Y438 I439 I440 R441V196-I198 HydrophobicContact CG1-CD1 4.19Å; V196-I198 HydrophobicContact CG1-CG1 3.75Å; I198-L204 HydrophobicContact CG1-CD1 4.22Å; I198-Y438 HydrophobicContact CD1-CE1 4.23Å; I198-I439 PolarHBondContact N-O 2.78Å; I198-I440 HydrophobicContact CB-CB 4.5Å; I198-I440 HydrophobicContact CB-CG1 4.28Å; I198-I440 HydrophobicContact CB-CG2 4.17Å; I198-I440 HydrophobicContact CD1-CD1 4.49Å; I198-I440 HydrophobicContact CD1-CG1 4.21Å; I198-I440 HydrophobicContact CG1-CG1 4.48Å; I198-I440 HydrophobicContact CG2-CG2 4.33Å; I198-R441 PolarHBondContact O-N 2.65Å
199G96.1Very high95.1Very high4 Ų440 Ų404%0.04123%0.228CC..  trans-70.1164.8175.800000112.4N201 G202 V203G199-N201 PolarHBondContact O-N 3.42Å; G199-G202 WeakPolarHBondContact O-CA 3.34Å; G199-G202 PolarHBondContact O-N 2.82Å; G199-V203 PolarHBondContact N-O 3.31Å
200S91.6Very high95.2Very high87 Ų8744.6 Ų44.661%0.60825%0.249SC*.THydrogen-bonded Turntrans-64.6-20.1178.852.40000113.7G202 R441S200-G202 PolarHBondContact O-N 3.26Å; S200-R441 VanDerWaalsContact CA-O 3.28Å; S200-R441 WeakPolarHBondContact CA-O 3.4Å
201N91.9Very high95.2Very high120 Ų12044.8 Ų44.864%0.64225%0.251SS*.THydrogen-bonded Turntrans-80.71.6170.364.1-7.6000113.7G199 V203G199-N201 PolarHBondContact O-N 3.42Å; N201-V203 VanDerWaalsContact C-N 3.29Å; N201-V203 VanDerWaalsContact ND2-CG2 3.34Å; N201-V203 WeakPolarHBondContact ND2-CG2 3.3Å; N201-V203 PolarHBondContact O-N 2.87Å; N201-V203 WeakPolarHBondContact OD1-CB 3.35Å; N201-V203 PolarHBondContact OD1-N 2.86Å
202G89.9Confident95.2Very high51 Ų5144.8 Ų44.853%0.52625%0.251SS..SBendtrans786.2-176.600000114.8G199 S200G199-G202 WeakPolarHBondContact O-CA 3.34Å; G199-G202 PolarHBondContact O-N 2.82Å; S200-G202 PolarHBondContact O-N 3.26Å
203V93.1Very high95.1Very high82 Ų8244.8 Ų44.850%0.49725%0.251SS..  trans-80.2133.3177.7176.70000110G199 N201 M205G199-V203 PolarHBondContact N-O 3.31Å; N201-V203 VanDerWaalsContact C-N 3.29Å; N201-V203 VanDerWaalsContact ND2-CG2 3.34Å; N201-V203 WeakPolarHBondContact ND2-CG2 3.3Å; N201-V203 PolarHBondContact O-N 2.87Å; N201-V203 WeakPolarHBondContact OD1-CB 3.35Å; N201-V203 PolarHBondContact OD1-N 2.86Å; V203-M205 PolarHBondContact O-N 3.04Å
204L93.7Very high95Very high68 Ų6842.9 Ų42.936%0.35624%0.241SC..EExtended strand (participates in β ladder)trans-66.3115.8172.4-175.661.3000109.4V196 I198 K206 A207 P293V196-L204 HydrophobicContact CG1-CD1 3.71Å; I198-L204 HydrophobicContact CG1-CD1 4.22Å; L204-K206 WeakPolarHBondContact CD1-O 3.47Å; L204-A207 HydrophobicContact CD1-CB 4.15Å; L204-A207 HydrophobicContact CD2-CB 3.98Å; L204-A207 HydrophobicContact CG-CB 4.35Å; L204-P293 HydrophobicContact CD1-CG 3.8Å; L204-P293 HydrophobicContact CD2-CG 3.95Å; L204-P293 HydrophobicContact CG-CG 4.43Å
205M94.2Very high94.8Very high103 Ų10343.1 Ų43.151%0.50724%0.242SC..EExtended strand (participates in β ladder)trans-93.6-35.6179.3-61.4-174.267.900112.3V197 V203V197-M205 HydrophobicContact CB-CB 4.4Å; V197-M205 HydrophobicContact CG1-CB 4.3Å; V197-M205 HydrophobicContact CG1-SD 4.34Å; V197-M205 WeakPolarHBondContact O-CB 3.44Å; V197-M205 PolarHBondContact O-N 3.28Å; V203-M205 PolarHBondContact O-N 3.04Å
206K94.2Very high94.4Very high94 Ų9442.3 Ų42.341%0.40924%0.235SC..EExtended strand (participates in β ladder)trans-151.2141.2-178-174.5171.9-178.2-169.50110.2V196 V197 L204 D208V196-K206 CarbonylContact C-O 3.57Å; V196-K206 WeakPolarHBondContact CA-O 3.31Å; V197-K206 HydrophobicContact CB-CB 4.09Å; V197-K206 HydrophobicContact CG2-CB 4.24Å; V197-K206 PolarHBondContact N-O 2.81Å; V197-K206 PolarHBondContact O-N 2.76Å; L204-K206 WeakPolarHBondContact CD1-O 3.47Å; K206-D208 VanDerWaalsContact CE-CG 3.44Å; K206-D208 WeakPolarHBondContact CE-OD2 2.89Å; K206-D208 IonicContact NZ-OD2 3.54Å; K206-D208 PolarHBondContact NZ-OD2 3.19Å
207A94.6Very high93.8Very high1 Ų142.3 Ų42.31%0.00824%0.235CC..EExtended strand (participates in β ladder)trans-150.3102.7172.200000111.8S195 V196 L204 D287 L289S195-A207 CarbonylContact O-C 3.41Å; S195-A207 WeakPolarHBondContact O-CA 3.4Å; V196-A207 HydrophobicContact CG2-CB 4.09Å; L204-A207 HydrophobicContact CD1-CB 4.15Å; L204-A207 HydrophobicContact CD2-CB 3.98Å; L204-A207 HydrophobicContact CG-CB 4.35Å; A207-D287 VanDerWaalsContact O-CA 3.29Å; A207-D287 WeakPolarHBondContact O-CA 3.36Å; A207-D287 PolarHBondContact O-N 3.29Å; A207-L289 HydrophobicContact CB-CD1 3.5Å; A207-L289 HydrophobicContact CB-CD2 4.42Å; A207-L289 HydrophobicContact CB-CG 3.6Å
208D95.8Very high93Very high25 Ų2542.9 Ų42.913%0.13424%0.235CC..EExtended strand (participates in β ladder)trans-106.6145.3173.7-66.6-26.8000110.4S195 K206 L285 S286S195-D208 PolarHBondContact N-O 3.08Å; S195-D208 PolarHBondContact O-N 2.87Å; K206-D208 VanDerWaalsContact CE-CG 3.44Å; K206-D208 WeakPolarHBondContact CE-OD2 2.89Å; K206-D208 IonicContact NZ-OD2 3.54Å; K206-D208 PolarHBondContact NZ-OD2 3.19Å; D208-L285 CarbonylContact C-O 3.57Å; D208-L285 VanDerWaalsContact CA-O 3.29Å; D208-L285 WeakPolarHBondContact CA-O 2.92Å; D208-S286 VanDerWaalsContact OD1-CA 3.24Å; D208-S286 WeakPolarHBondContact OD1-CA 3.28Å; D208-S286 VanDerWaalsContact OD1-CB 3.24Å; D208-S286 WeakPolarHBondContact OD1-CB 3.49Å; D208-S286 PolarHBondContact OD1-OG 3.49Å
209I96.3Very high92Very high0 Ų042.5 Ų42.50%023%0.233CC..EExtended strand (participates in β ladder)trans-124125.8165.5-62.3177.1000108.8E192 K193 M194 R284 L285 L289 G407 T408E192-I209 HydrophobicContact CB-CG2 3.85Å; E192-I209 HydrophobicContact CG-CG2 3.85Å; K193-I209 WeakPolarHBondContact O-CA 3.16Å; M194-I209 HydrophobicContact CE-CD1 3.82Å; M194-I209 HydrophobicContact CE-CG1 4.07Å; I209-R284 WeakPolarHBondContact O-CA 3.24Å; I209-L285 HydrophobicContact CB-CB 4.41Å; I209-L285 PolarHBondContact N-O 2.87Å; I209-L285 PolarHBondContact O-N 2.82Å; I209-L289 HydrophobicContact CD1-CD2 3.32Å; I209-L289 HydrophobicContact CG1-CD2 3.76Å; I209-G407 VanDerWaalsContact CD1-C 3.49Å; I209-T408 HydrophobicContact CB-CG2 4.18Å; I209-T408 HydrophobicContact CD1-CG2 4Å; I209-T408 HydrophobicContact CG2-CG2 3.89Å
210E97.1Very high90.7Very high103 Ų10346.6 Ų46.648%0.48126%0.258SS..EExtended strand (participates in β ladder)trans-103.9119164.8-63.7-172.1164.700108.5E192 K193 R284E192-E210 CarbonylContact C-O 3.54Å; E192-E210 WeakPolarHBondContact CA-O 3.36Å; K193-E210 HydrophobicContact CB-CB 4.47Å; K193-E210 PolarHBondContact N-O 3.27Å; K193-E210 PolarHBondContact O-N 2.98Å; E210-R284 HydrophobicContact CG-CG 4.33Å; E210-R284 IonicContact OE1-NE 2.67Å
211G96.5Very high89.7Confident5 Ų545.7 Ų45.75%0.05225%0.252CS..EExtended strand (participates in β ladder)trans-120.2150.9-17700000112.8I191 Q282 Y283I191-G211 CarbonylContact O-C 3.31Å; I191-G211 WeakPolarHBondContact O-CA 3.43Å; G211-Q282 CarbonylContact O-C 3.59Å; G211-Q282 WeakPolarHBondContact O-CA 3.4Å; G211-Y283 VanDerWaalsContact C-CE1 3.47Å; G211-Y283 VanDerWaalsContact CA-CZ 3.47Å; G211-Y283 PolarHBondContact N-O 2.81Å; G211-Y283 WeakPolarHBondContact O-CD1 3.44Å; G211-Y283 PolarHBondContact O-N 2.83Å
212E96.5Very high88.8Confident29 Ų2940.8 Ų40.814%0.13623%0.227CC..EExtended strand (participates in β ladder)trans-137.9135.2176.4-171.7-169.8139.400109.8I191 R214 A279 M281 Q282I191-E212 PolarHBondContact N-O 2.86Å; I191-E212 PolarHBondContact O-N 3.14Å; E212-R214 VanDerWaalsContact CD-NH2 3.34Å; E212-R214 IonicContact OE1-CZ 2.8Å; E212-R214 IonicContact OE1-NE 3.1Å; E212-R214 PolarHBondContact OE1-NE 2.91Å; E212-R214 IonicContact OE1-NH2 3.22Å; E212-R214 PolarHBondContact OE1-NH2 2.82Å; E212-R214 VanDerWaalsContact OE1-NH2 3.11Å; E212-R214 IonicContact OE2-CZ 3.89Å; E212-R214 IonicContact OE2-NE 3.68Å; E212-R214 IonicContact OE2-NH2 3.42Å; E212-R214 PolarHBondContact OE2-NH2 3.04Å; E212-A279 VanDerWaalsContact CD-CB 3.46Å; E212-A279 HydrophobicContact CG-CB 3.95Å; E212-A279 WeakPolarHBondContact OE1-CA 3.45Å; E212-A279 WeakPolarHBondContact OE1-CB 3.36Å; E212-M281 CarbonylContact C-O 3.57Å; E212-M281 WeakPolarHBondContact CA-O 3.49Å; E212-Q282 HydrophobicContact CB-CG 4.31Å; E212-Q282 HydrophobicContact CG-CG 3.88Å
213V96.3Very high88.4Confident0 Ų041.7 Ų41.70%023%0.225CC..EExtended strand (participates in β ladder)trans-95.9116.1162.9-174.10000107.2V188 D189 V280 M281 Y283 L410V188-V213 HydrophobicContact CG1-CG1 3.74Å; D189-V213 WeakPolarHBondContact O-CA 3.34Å; V213-V280 HydrophobicContact CB-CG2 3.96Å; V213-V280 HydrophobicContact CG1-CG2 3.78Å; V213-V280 VanDerWaalsContact O-CG2 3.24Å; V213-V280 WeakPolarHBondContact O-CG2 3.33Å; V213-V280 PolarHBondContact O-N 3.35Å; V213-M281 HydrophobicContact CB-CB 4.15Å; V213-M281 HydrophobicContact CG2-CB 4.27Å; V213-M281 HydrophobicContact CG2-SD 4.32Å; V213-M281 PolarHBondContact N-O 3.3Å; V213-M281 PolarHBondContact O-N 3.39Å; V213-Y283 HydrophobicContact CG2-CE1 4.18Å; V213-L410 HydrophobicContact CG2-CD2 3.98Å
214R93.5Very high88.1Confident59 Ų5939.2 Ų39.222%0.22321%0.208CC..EExtended strand (participates in β ladder)trans-116.2134.5-177.3-168.7176-62.2-173.2-4.9110.8V188 D189 E212 E277 H278V188-R214 CarbonylContact C-O 3.57Å; V188-R214 WeakPolarHBondContact CA-O 3.48Å; D189-R214 HydrophobicContact CB-CB 4.35Å; D189-R214 PolarHBondContact N-O 3.37Å; D189-R214 PolarHBondContact O-N 2.94Å; E212-R214 VanDerWaalsContact CD-NH2 3.34Å; E212-R214 IonicContact OE1-CZ 2.8Å; E212-R214 IonicContact OE1-NE 3.1Å; E212-R214 PolarHBondContact OE1-NE 2.91Å; E212-R214 IonicContact OE1-NH2 3.22Å; E212-R214 PolarHBondContact OE1-NH2 2.82Å; E212-R214 VanDerWaalsContact OE1-NH2 3.11Å; E212-R214 IonicContact OE2-CZ 3.89Å; E212-R214 IonicContact OE2-NE 3.68Å; E212-R214 IonicContact OE2-NH2 3.42Å; E212-R214 PolarHBondContact OE2-NH2 3.04Å; R214-E277 VanDerWaalsContact CD-CG 3.44Å; R214-E277 WeakPolarHBondContact CD-OE1 3.46Å; R214-E277 HydrophobicContact CG-CG 3.92Å; R214-E277 IonicContact CZ-OE1 4Å; R214-E277 IonicContact NE-OE1 2.75Å; R214-E277 IonicContact NH1-OE1 2.98Å; R214-E277 PolarHBondContact NH1-OE1 2.8Å; R214-H278 WeakPolarHBondContact CA-O 3.45Å
215V91.9Very high88Confident5 Ų536 Ų363%0.0319%0.191CC..EExtended strand (participates in β ladder)trans-110.4132.9178.4175.70000109I186 F187 V188 C217 M225 I227 E277 H278 V280I186-V215 HydrophobicContact CG2-CG1 4.28Å; F187-V215 CarbonylContact O-C 3.55Å; F187-V215 WeakPolarHBondContact O-CA 3.49Å; V188-V215 HydrophobicContact CG1-CG2 4.34Å; V188-V215 HydrophobicContact CG2-CG2 4.38Å; V215-C217 HydrophobicContact CG1-CB 4.48Å; V215-M225 HydrophobicContact CB-CE 4.36Å; V215-M225 HydrophobicContact CG1-CE 3.83Å; V215-M225 HydrophobicContact CG1-SD 4.27Å; V215-M225 HydrophobicContact CG2-CE 3.81Å; V215-I227 HydrophobicContact CG2-CD1 3.91Å; V215-E277 CarbonylContact O-C 3.37Å; V215-E277 WeakPolarHBondContact O-CA 3.44Å; V215-H278 PolarHBondContact N-O 2.89Å; V215-H278 PolarHBondContact O-N 3.29Å; V215-V280 HydrophobicContact CB-CG1 4.03Å; V215-V280 HydrophobicContact CG2-CB 4.45Å; V215-V280 HydrophobicContact CG2-CG1 3.61Å; V215-V280 HydrophobicContact CG2-CG2 3.92Å
216K87.8Confident88Confident10 Ų1034.2 Ų34.24%0.04318%0.179CC..EExtended strand (participates in β ladder)trans-115.5108.7168.1-52.9177.9-177.8176.80108.4I186 F187 D189 Y218 G276 E277I186-K216 WeakPolarHBondContact CA-O 3.45Å; F187-K216 HydrophobicContact CB-CB 4.1Å; F187-K216 HydrophobicContact CD2-CB 4.18Å; F187-K216 PolarHBondContact N-O 2.91Å; F187-K216 PolarHBondContact O-N 2.93Å; D189-K216 WeakPolarHBondContact OD2-CE 3.46Å; D189-K216 IonicContact OD2-NZ 3.93Å; D189-K216 PolarHBondContact OD2-NZ 2.7Å; K216-Y218 HydrophobicContact CB-CE2 3.86Å; K216-G276 VanDerWaalsContact CA-O 3.3Å; K216-G276 WeakPolarHBondContact CA-O 3.26Å; K216-E277 HydrophobicContact CD-CG 4.44Å; K216-E277 VanDerWaalsContact CE-CD 3.44Å; K216-E277 WeakPolarHBondContact CE-OE1 3.45Å; K216-E277 HydrophobicContact CG-CB 4.11Å; K216-E277 HydrophobicContact CG-CG 3.97Å; K216-E277 IonicContact NZ-OE1 2.72Å
217C84.8Confident88Confident1 Ų129.7 Ų29.71%0.00716%0.159CC..EExtended strand (participates in β ladder)trans-106.6117.5-177.9-172.90000110V215 P273 S274 G276V215-C217 HydrophobicContact CG1-CB 4.48Å; C217-P273 HydrophobicContact CB-CB 4.16Å; C217-S274 VanDerWaalsContact CB-O 3.29Å; C217-S274 WeakPolarHBondContact CB-O 3.34Å; C217-G276 PolarHBondContact N-O 3.13Å; C217-G276 PolarHBondContact O-N 2.93Å
218Y81.6Confident88.1Confident43 Ų4329.7 Ų29.717%0.16916%0.159CC..  trans-110.522.8172.8-59.6-78.6000111.5A169 R172 E185 F187 K216A169-Y218 PolarHBondContact O-OH 2.91Å; R172-Y218 HydrophobicContact CB-CE1 3.85Å; E185-Y218 PolarHBondContact O-N 2.87Å; F187-Y218 AromaticContact CD2-CD2 3.92Å; F187-Y218 HydrophobicContact CD2-CD2 3.92Å; F187-Y218 AromaticContact CD2-CE2 3.78Å; F187-Y218 HydrophobicContact CD2-CE2 3.78Å; F187-Y218 AromaticContact CE2-CD2 3.71Å; F187-Y218 HydrophobicContact CE2-CD2 3.71Å; F187-Y218 AromaticContact CE2-CE2 3.76Å; F187-Y218 HydrophobicContact CE2-CE2 3.76Å; K216-Y218 HydrophobicContact CB-CE2 3.86Å
219M75.6Confident88Confident3 Ų328.5 Ų28.52%0.01515%0.152CC..  trans-91.2136.3-179.6-59.5-160.5-4600111.2I186 S221 C222 Q275 L417I186-M219 HydrophobicContact CD1-CE 3.22Å; I186-M219 HydrophobicContact CD1-CG 4.13Å; I186-M219 HydrophobicContact CD1-SD 3.59Å; I186-M219 VanDerWaalsContact CD1-SD 3.59Å; I186-M219 HydrophobicContact CG1-CE 4.01Å; I186-M219 HydrophobicContact CG1-CG 3.83Å; I186-M219 HydrophobicContact CG1-SD 3.84Å; M219-S221 VanDerWaalsContact C-N 3.3Å; M219-S221 PolarHBondContact O-N 2.87Å; M219-C222 HydrophobicContact CE-CB 3.4Å; M219-C222 VanDerWaalsContact CE-CB 3.4Å; M219-C222 WeakPolarHBondContact CE-SG 3.31Å; M219-Q275 PolarHBondContact O-NE2 2.9Å; M219-L417 HydrophobicContact CE-CD1 4.06Å; M219-L417 HydrophobicContact CE-CD2 4.47Å; M219-L417 HydrophobicContact SD-CD1 4.12Å
220P67.8Low87.8Confident90 Ų9029.8 Ų29.858%0.58416%0.159SC*.SBendtrans-65.2-33.8-18022.8-30.6000112.6Q275P220-Q275 PolarHBondContact O-NE2 2.91Å
221S70.1Confident87.3Confident67 Ų6731.1 Ų31.147%0.46917%0.166SC..  trans-143.4122175.655.80000110.5M219 H421M219-S221 VanDerWaalsContact C-N 3.3Å; M219-S221 PolarHBondContact O-N 2.87Å; S221-H421 PolarHBondContact O-CE1 2.83Å; S221-H421 PolarHBondContact O-NE2 3.05Å
222C74.6Confident86.7Confident18 Ų1836.3 Ų36.312%0.12219%0.188CC..  trans-135.7109.9167.4-166.80000106.8M219 E224 P273M219-C222 HydrophobicContact CE-CB 3.4Å; M219-C222 VanDerWaalsContact CE-CB 3.4Å; M219-C222 WeakPolarHBondContact CE-SG 3.31Å; C222-E224 PolarHBondContact SG-O 2.95Å; C222-P273 HydrophobicContact CB-CG 3.57Å; C222-P273 VanDerWaalsContact SG-CG 3.51Å
223S79.6Confident86.4Confident69 Ų6935 Ų3548%0.48318%0.182SC..SBendtrans-76.8-32-178.562.30000111.3C272 S418 P419S223-C272 PolarHBondContact O-SG 2.99Å; S223-S418 PolarHBondContact N-O 2.89Å; S223-S418 VanDerWaalsContact OG-C 3.3Å; S223-S418 PolarHBondContact OG-O 2.85Å; S223-P419 VanDerWaalsContact OG-CD 3.32Å; S223-P419 WeakPolarHBondContact OG-CD 3.29Å
224E88.4Confident85.9Confident30 Ų3036.4 Ų36.414%0.1419%0.193CC..EExtended strand (participates in β ladder)trans-154.9143.8-179.9177.6-176.5-93.600111.7C222 R226 R270 L271 L417 S418C222-E224 PolarHBondContact SG-O 2.95Å; E224-R226 IonicContact OE1-NH2 3.64Å; E224-R226 IonicContact OE2-CZ 3.26Å; E224-R226 IonicContact OE2-NH1 2.72Å; E224-R226 PolarHBondContact OE2-NH1 3.45Å; E224-R226 IonicContact OE2-NH2 2.92Å; E224-R226 PolarHBondContact OE2-NH2 2.85Å; E224-R270 HydrophobicContact CG-CG 4.27Å; E224-R270 IonicContact OE1-CZ 3.15Å; E224-R270 IonicContact OE1-NE 3.02Å; E224-R270 PolarHBondContact OE1-NE 3.15Å; E224-R270 IonicContact OE1-NH2 3.42Å; E224-R270 PolarHBondContact OE1-NH2 3.34Å; E224-L271 CarbonylContact C-O 3.6Å; E224-L417 CarbonylContact O-C 3.52Å; E224-S418 PolarHBondContact N-O 3.01Å; E224-S418 PolarHBondContact O-N 2.86Å
225M91.1Very high85.6Confident0 Ų036.5 Ų36.50%020%0.2CC..EExtended strand (participates in β ladder)trans-131135.2174.2179.1172.868.100109.3I186 V215 I227 R270 L271 P273 L415 R416 L417I186-M225 HydrophobicContact CG2-SD 4.42Å; V215-M225 HydrophobicContact CB-CE 4.36Å; V215-M225 HydrophobicContact CG1-CE 3.83Å; V215-M225 HydrophobicContact CG1-SD 4.27Å; V215-M225 HydrophobicContact CG2-CE 3.81Å; M225-I227 HydrophobicContact CE-CD1 3.94Å; M225-I227 HydrophobicContact CE-CG1 4.3Å; M225-I227 HydrophobicContact CG-CG1 4.27Å; M225-I227 HydrophobicContact SD-CG1 4.47Å; M225-R270 WeakPolarHBondContact O-CA 3.07Å; M225-L271 HydrophobicContact CB-CG 4.5Å; M225-L271 HydrophobicContact CE-CD1 3.51Å; M225-L271 HydrophobicContact CE-CD2 3.67Å; M225-L271 HydrophobicContact CE-CG 3.58Å; M225-L271 PolarHBondContact N-O 2.66Å; M225-L271 PolarHBondContact O-N 2.65Å; M225-P273 HydrophobicContact CB-CG 4Å; M225-P273 HydrophobicContact CE-CB 3.94Å; M225-P273 HydrophobicContact CE-CG 4.31Å; M225-P273 HydrophobicContact SD-CB 4.48Å; M225-P273 HydrophobicContact SD-CG 4.38Å; M225-L415 HydrophobicContact CG-CD1 3.65Å; M225-L415 HydrophobicContact SD-CD1 3.69Å; M225-R416 CarbonylContact C-O 3.52Å; M225-R416 WeakPolarHBondContact CA-O 3.44Å; M225-L417 HydrophobicContact CB-CD2 4.02Å; M225-L417 HydrophobicContact CG-CD2 3.71Å; M225-L417 HydrophobicContact SD-CD2 4.03Å
226R93.6Very high85.1Confident66 Ų6637.2 Ų37.225%0.24921%0.208CC..EExtended strand (participates in β ladder)trans-118.7122.9172.7-70.4-174.6176.2885.2109.9E224 E262 I268 L269 R270 F414 R416E224-R226 IonicContact OE1-NH2 3.64Å; E224-R226 IonicContact OE2-CZ 3.26Å; E224-R226 IonicContact OE2-NH1 2.72Å; E224-R226 PolarHBondContact OE2-NH1 3.45Å; E224-R226 IonicContact OE2-NH2 2.92Å; E224-R226 PolarHBondContact OE2-NH2 2.85Å; R226-E262 IonicContact CZ-OE1 3.17Å; R226-E262 IonicContact NE-OE1 3.38Å; R226-E262 PolarHBondContact NE-OE1 2.74Å; R226-E262 IonicContact NE-OE2 2.8Å; R226-E262 PolarHBondContact NE-OE2 3.04Å; R226-E262 IonicContact NH2-OE1 3.62Å; R226-E262 PolarHBondContact NH2-OE1 3.45Å; R226-I268 HydrophobicContact CB-CG2 3.81Å; R226-I268 HydrophobicContact CG-CG2 3.98Å; R226-L269 WeakPolarHBondContact CA-O 3.24Å; R226-R270 HydrophobicContact CG-CG 4.41Å; R226-F414 HydrophobicContact CB-CE2 4.35Å; R226-R416 HydrophobicContact CB-CB 4.29Å; R226-R416 PolarHBondContact N-O 2.83Å; R226-R416 PolarHBondContact O-N 2.84Å
227I95.3Very high84.1Confident0 Ų044.9 Ų44.90%024%0.241CC..EExtended strand (participates in β ladder)trans-109113.5174.6-52.5176.9000107.7V188 V215 M225 L229 I268 L269 L271 V280 I412 L415V188-I227 HydrophobicContact CG1-CD1 4.33Å; V215-I227 HydrophobicContact CG2-CD1 3.91Å; M225-I227 HydrophobicContact CE-CD1 3.94Å; M225-I227 HydrophobicContact CE-CG1 4.3Å; M225-I227 HydrophobicContact CG-CG1 4.27Å; M225-I227 HydrophobicContact SD-CG1 4.47Å; I227-L229 HydrophobicContact CG2-CD2 4.15Å; I227-I268 CarbonylContact O-C 3.53Å; I227-I268 WeakPolarHBondContact O-CA 3.2Å; I227-L269 HydrophobicContact CB-CB 4.25Å; I227-L269 PolarHBondContact N-O 3.07Å; I227-L269 PolarHBondContact O-N 3.31Å; I227-L271 HydrophobicContact CD1-CD2 4.28Å; I227-L271 HydrophobicContact CG1-CD2 4.48Å; I227-V280 HydrophobicContact CD1-CG2 4.3Å; I227-I412 HydrophobicContact CG2-CD1 4.18Å; I227-I412 HydrophobicContact CG2-CG1 4.37Å; I227-I412 HydrophobicContact CG2-CG2 3.91Å; I227-L415 HydrophobicContact CG1-CD1 3.85Å
228G95.3Very high82.7Confident0 Ų048.6 Ų48.60%027%0.267CS..EExtended strand (participates in β ladder)trans-89.3121.3175.600000111.3I412 R413 F414G228-I412 CarbonylContact O-C 3.49Å; G228-R413 PolarHBondContact O-N 3.46Å; G228-F414 PolarHBondContact N-O 2.85Å
229L94.8Very high81.2Confident0 Ų055.5 Ų55.50%030%0.301CS..  trans-92.5178.6173.9-50.1179.7000110.9I227 E231 F263 R267 L269 M281 L410 R413I227-L229 HydrophobicContact CG2-CD2 4.15Å; L229-E231 PolarHBondContact O-N 2.82Å; L229-F263 HydrophobicContact CD1-CE2 4.11Å; L229-R267 HydrophobicContact CB-CB 4.31Å; L229-R267 PolarHBondContact N-O 3.14Å; L229-L269 HydrophobicContact CD1-CD1 4.26Å; L229-L269 HydrophobicContact CD1-CG 4.27Å; L229-L269 HydrophobicContact CD2-CD1 4.49Å; L229-M281 HydrophobicContact CD1-CE 4.23Å; L229-M281 HydrophobicContact CD1-SD 3.77Å; L229-L410 HydrophobicContact CB-CD1 4.43Å; L229-L410 HydrophobicContact CD2-CD1 4.4Å; L229-R413 WeakPolarHBondContact O-CD 3.27Å
230N92.6Very high80.1Confident27 Ų2762.9 Ų62.914%0.14434%0.34CS..  trans-49.2136.1173-54.765000111.2E232 F233 V247 R267 G409 Q411N230-E232 VanDerWaalsContact C-N 3.26Å; N230-E232 PolarHBondContact O-N 2.75Å; N230-F233 HydrophobicContact CB-CB 4.36Å; N230-F233 WeakPolarHBondContact O-CB 3.46Å; N230-F233 PolarHBondContact O-N 3.34Å; N230-F233 VanDerWaalsContact O-N 3.09Å; N230-V247 HydrophobicContact CB-CB 4.46Å; N230-V247 HydrophobicContact CB-CG2 4.13Å; N230-V247 VanDerWaalsContact ND2-CG2 3.35Å; N230-V247 WeakPolarHBondContact ND2-CG2 3.29Å; N230-R267 WeakPolarHBondContact O-CG 3.49Å; N230-G409 PolarHBondContact ND2-O 2.96Å; N230-Q411 PolarHBondContact N-O 2.86Å; N230-Q411 PolarHBondContact OD1-N 2.85Å; N230-Q411 PolarHBondContact OD1-O 3.33Å; N230-Q411 VanDerWaalsContact OD1-O 3.1Å
231E86.3Confident79.3Confident131 Ų13169.3 Ų69.361%0.61235%0.352SS*.THydrogen-bonded Turntrans-61.9-38.9178.7-66.8-174.2154.200111.8L229 F233 R413L229-E231 PolarHBondContact O-N 2.82Å; E231-F233 PolarHBondContact O-N 3.4Å; E231-R413 VanDerWaalsContact CD-CZ 3.47Å; E231-R413 VanDerWaalsContact CD-NH1 3.3Å; E231-R413 VanDerWaalsContact CD-NH2 3.34Å; E231-R413 IonicContact OE1-CZ 3.17Å; E231-R413 IonicContact OE1-NH1 3.37Å; E231-R413 PolarHBondContact OE1-NH1 3.39Å; E231-R413 IonicContact OE1-NH2 2.75Å; E231-R413 PolarHBondContact OE1-NH2 3.48Å
232E84.6Confident78.3Confident114 Ų11468.9 Ų68.953%0.53336%0.359SS..THydrogen-bonded Turntrans-85.717.7178.5-57.4-175.4169.600112.7N230 S234 A246N230-E232 VanDerWaalsContact C-N 3.26Å; N230-E232 PolarHBondContact O-N 2.75Å; E232-S234 PolarHBondContact O-N 3.28Å; E232-A246 HydrophobicContact CB-CB 3.86Å; E232-A246 WeakPolarHBondContact O-CB 3.4Å
233F88.8Confident76.9Confident1 Ų180.1 Ų80.10%0.00440%0.4CS..  trans-61.3132.7173.9-177.3-93.5000110N230 E231 V235 V247 V249 F263 R267 M281 L410N230-F233 HydrophobicContact CB-CB 4.36Å; N230-F233 WeakPolarHBondContact O-CB 3.46Å; N230-F233 PolarHBondContact O-N 3.34Å; N230-F233 VanDerWaalsContact O-N 3.09Å; E231-F233 PolarHBondContact O-N 3.4Å; F233-V235 HydrophobicContact CD1-CG2 4.24Å; F233-V235 HydrophobicContact CE1-CG2 3.43Å; F233-V235 VanDerWaalsContact CE1-CG2 3.43Å; F233-V235 HydrophobicContact CZ-CG2 4.12Å; F233-V247 CarbonylContact C-O 3.57Å; F233-V247 VanDerWaalsContact CA-O 3.28Å; F233-V247 WeakPolarHBondContact CA-O 3.13Å; F233-V247 HydrophobicContact CD2-CB 4.09Å; F233-V247 HydrophobicContact CD2-CG1 3.69Å; F233-V247 HydrophobicContact CE2-CG1 4Å; F233-V249 HydrophobicContact CE1-CG2 4.19Å; F233-V249 HydrophobicContact CE2-CG1 3.92Å; F233-V249 HydrophobicContact CE2-CG2 4.02Å; F233-V249 HydrophobicContact CZ-CB 4.46Å; F233-V249 HydrophobicContact CZ-CG1 4.16Å; F233-V249 HydrophobicContact CZ-CG2 3.44Å; F233-V249 VanDerWaalsContact CZ-CG2 3.44Å; F233-F263 HydrophobicContact CD1-CE2 4.41Å; F233-F263 AromaticContact CD1-CZ 3.98Å; F233-F263 HydrophobicContact CD1-CZ 3.98Å; F233-F263 HydrophobicContact CE1-CE2 4.4Å; F233-F263 AromaticContact CE1-CZ 3.78Å; F233-F263 HydrophobicContact CE1-CZ 3.78Å; F233-R267 HydrophobicContact CB-CG 4.06Å; F233-R267 PolarHBondContact O-NE 2.88Å; F233-R267 PolarHBondContact O-NH2 2.96Å; F233-R267 VanDerWaalsContact O-NH2 3.11Å; F233-M281 HydrophobicContact CE1-CE 3.89Å; F233-M281 HydrophobicContact CE2-CE 4.1Å; F233-M281 HydrophobicContact CZ-CE 3.37Å; F233-L410 HydrophobicContact CD2-CD1 3.8Å; F233-L410 HydrophobicContact CE2-CD1 3.9Å
234S86.6Confident75.6Confident31 Ų3178.6 Ų78.622%0.21740%0.396CS..EExtended strand (participates in β ladder)trans-138.6144.8-179.760.70000111.5E232 V247 R248 V249E232-S234 PolarHBondContact O-N 3.28Å; S234-V247 PolarHBondContact N-O 2.94Å; S234-R248 WeakPolarHBondContact O-CA 3.39Å; S234-V249 PolarHBondContact O-N 3.42Å
235V87.3Confident74Confident61 Ų6182 Ų8237%0.3743%0.429SS..EExtended strand (participates in β ladder)trans-116.2131.8179.7-174.60000108.4F233 V249 C252F233-V235 HydrophobicContact CD1-CG2 4.24Å; F233-V235 HydrophobicContact CE1-CG2 3.43Å; F233-V235 VanDerWaalsContact CE1-CG2 3.43Å; F233-V235 HydrophobicContact CZ-CG2 4.12Å; V235-V249 CarbonylContact C-O 3.58Å; V235-V249 WeakPolarHBondContact CA-O 3.32Å; V235-V249 HydrophobicContact CB-CG2 4.44Å; V235-V249 HydrophobicContact CG1-CG2 4.4Å; V235-V249 HydrophobicContact CG2-CG2 3.99Å; V235-C252 HydrophobicContact CG2-CB 4.38Å; V235-C252 VanDerWaalsContact CG2-SG 3.52Å
236G81.9Confident73Confident20 Ų2084.1 Ų84.121%0.20645%0.446CS..SBendtrans88.6-179.4177.500000114.4S238 R248 V249 D250G236-S238 PolarHBondContact O-N 3.47Å; G236-S238 VanDerWaalsContact O-N 3.12Å; G236-R248 PolarHBondContact O-NE 3.42Å; G236-V249 PolarHBondContact N-O 2.6Å; G236-D250 WeakPolarHBondContact CA-O 3.44Å; G236-D250 PolarHBondContact N-O 3.32Å
237K65.8Low72.6Confident171 Ų17181.2 Ų81.274%0.74344%0.436SS*.  trans-86.844.6-176.1-52.9-168176.2-176.10113Q239K237-Q239 PolarHBondContact O-N 3.01Å
238S55.6Low72.2Confident78 Ų7884 Ų8455%0.54545%0.446SS..  trans-66.2130.5178.8-1730000110.7G236 L240G236-S238 PolarHBondContact O-N 3.47Å; G236-S238 VanDerWaalsContact O-N 3.12Å; S238-L240 PolarHBondContact O-N 3.48Å; S238-L240 VanDerWaalsContact O-N 3.14Å
239Q50.5Low72.1Confident189 Ų18984 Ų8488%0.88345%0.446SS*.  trans-73.21.4-170.6-69-166.5-11.200115.3K237 R241K237-Q239 PolarHBondContact O-N 3.01Å; Q239-R241 VanDerWaalsContact C-N 3.31Å; Q239-R241 PolarHBondContact O-N 3.33Å
240L50.9Low71.9Confident158 Ų15885.7 Ų85.783%0.82746%0.456SS*.  trans-80.781.2179.6-74.4161.4000110.2S238 G242S238-L240 PolarHBondContact O-N 3.48Å; S238-L240 VanDerWaalsContact O-N 3.14Å; L240-G242 PolarHBondContact O-N 2.9Å
241R51.4Low71.8Confident224 Ų22488.7 Ų88.785%0.84547%0.469SS*.  trans-68.382.2161.5-72.8-168.7-177.4-168.60.5108.9Q239Q239-R241 VanDerWaalsContact C-N 3.31Å; Q239-R241 PolarHBondContact O-N 3.33Å
242G49.9Very low72.1Confident59 Ų5984.1 Ų84.161%0.60845%0.451SS*.  trans-64143.6158.600000109.3L240 G244L240-G242 PolarHBondContact O-N 2.9Å; G242-G244 PolarHBondContact O-N 2.82Å
243Y45.5Very low72.5Confident253 Ų25381.4 Ų81.499%0.99244%0.444SS*.SBendtrans-72.241.8179.1-83-93.1000113.1
244G52Low72.7Confident38 Ų3883.9 Ų83.939%0.39246%0.455SS..SBendtrans-137.7153.9-179.200000111.1G242 A246G242-G244 PolarHBondContact O-N 2.82Å; G244-A246 PolarHBondContact O-N 3.44Å
245A54.2Low72.8Confident101 Ų10185.3 Ų85.384%0.83546%0.458SS*.  trans-72.267.2176.200000110.6V247A245-V247 PolarHBondContact O-N 3.19Å
246A70.8Confident72.7Confident44 Ų4490.2 Ų90.236%0.36448%0.477SS..  trans-65122.5172.600000108.7E232 G244 R248E232-A246 HydrophobicContact CB-CB 3.86Å; E232-A246 WeakPolarHBondContact O-CB 3.4Å; G244-A246 PolarHBondContact O-N 3.44Å; A246-R248 PolarHBondContact O-N 2.88Å; A246-R248 VanDerWaalsContact O-N 3.09Å
247V85.4Confident72.8Confident5 Ų590.9 Ų90.93%0.0348%0.479CS..  trans-65.1113.2171.2177.40000107N230 F233 S234 A245 G409 L410N230-V247 HydrophobicContact CB-CB 4.46Å; N230-V247 HydrophobicContact CB-CG2 4.13Å; N230-V247 VanDerWaalsContact ND2-CG2 3.35Å; N230-V247 WeakPolarHBondContact ND2-CG2 3.29Å; F233-V247 CarbonylContact C-O 3.57Å; F233-V247 VanDerWaalsContact CA-O 3.28Å; F233-V247 WeakPolarHBondContact CA-O 3.13Å; F233-V247 HydrophobicContact CD2-CB 4.09Å; F233-V247 HydrophobicContact CD2-CG1 3.69Å; F233-V247 HydrophobicContact CE2-CG1 4Å; S234-V247 PolarHBondContact N-O 2.94Å; A245-V247 PolarHBondContact O-N 3.19Å; V247-G409 VanDerWaalsContact CG2-C 3.47Å; V247-G409 VanDerWaalsContact CG2-O 3.26Å; V247-G409 WeakPolarHBondContact CG2-O 3.38Å; V247-L410 HydrophobicContact CG1-CB 4.23Å; V247-L410 HydrophobicContact CG1-CD1 4.21Å
248R87.1Confident74Confident59 Ų5983.5 Ų83.522%0.22345%0.448CS..EExtended strand (participates in β ladder)trans-117.4135.8-179.4-178.9171.3160.5-130.4-24.2109.5S234 G236 A246 D250 E288S234-R248 WeakPolarHBondContact O-CA 3.39Å; G236-R248 PolarHBondContact O-NE 3.42Å; A246-R248 PolarHBondContact O-N 2.88Å; A246-R248 VanDerWaalsContact O-N 3.09Å; R248-D250 IonicContact NH2-OD1 3.86Å; R248-E288 IonicContact CZ-OE2 2.7Å; R248-E288 IonicContact NH1-OE2 3.52Å; R248-E288 PolarHBondContact NH1-OE2 2.84Å; R248-E288 IonicContact NH2-OE2 3.67Å; R248-E288 PolarHBondContact NH2-OE2 3.24Å
249V91.4Very high75.7Confident0 Ų083.5 Ų83.50%044%0.439CS..EExtended strand (participates in β ladder)trans-127.4152.7172.4-57.80000108.4F233 S234 V235 G236 Y283 R284F233-V249 HydrophobicContact CE1-CG2 4.19Å; F233-V249 HydrophobicContact CE2-CG1 3.92Å; F233-V249 HydrophobicContact CE2-CG2 4.02Å; F233-V249 HydrophobicContact CZ-CB 4.46Å; F233-V249 HydrophobicContact CZ-CG1 4.16Å; F233-V249 HydrophobicContact CZ-CG2 3.44Å; F233-V249 VanDerWaalsContact CZ-CG2 3.44Å; S234-V249 PolarHBondContact O-N 3.42Å; V235-V249 CarbonylContact C-O 3.58Å; V235-V249 WeakPolarHBondContact CA-O 3.32Å; V235-V249 HydrophobicContact CB-CG2 4.44Å; V235-V249 HydrophobicContact CG1-CG2 4.4Å; V235-V249 HydrophobicContact CG2-CG2 3.99Å; G236-V249 PolarHBondContact N-O 2.6Å; V249-Y283 HydrophobicContact CG1-CD2 3.69Å; V249-Y283 HydrophobicContact CG1-CG 4.18Å; V249-R284 WeakPolarHBondContact CB-O 3.14Å
250D90.4Very high77.6Confident36 Ų3677.3 Ų77.319%0.19341%0.412CS..SBendtrans-75.8-40.7179.2-68.3-54.9000111.5G236 R248 R284 S286G236-D250 WeakPolarHBondContact CA-O 3.44Å; G236-D250 PolarHBondContact N-O 3.32Å; R248-D250 IonicContact NH2-OD1 3.86Å; D250-R284 PolarHBondContact N-O 2.82Å; D250-S286 PolarHBondContact OD2-N 3.4Å
251E90.6Very high79.5Confident90 Ų9074.1 Ų74.142%0.42140%0.396SS..EExtended strand (participates in β ladder)trans-144.9154.9179.557.3175.7-125.600111.1Y283 R284E251-Y283 VanDerWaalsContact O-CA 3.28Å; E251-Y283 WeakPolarHBondContact O-CA 3.34Å; E251-R284 HydrophobicContact CG-CB 3.77Å; E251-R284 PolarHBondContact N-O 2.94Å; E251-R284 PolarHBondContact O-N 3.03Å; E251-R284 IonicContact OE1-CZ 2.84Å; E251-R284 IonicContact OE1-NE 3.31Å; E251-R284 IonicContact OE1-NH1 2.64Å; E251-R284 PolarHBondContact OE1-NH1 3.24Å; E251-R284 IonicContact OE1-NH2 3.21Å; E251-R284 PolarHBondContact OE1-NH2 3.26Å; E251-R284 IonicContact OE2-CZ 3.73Å; E251-R284 IonicContact OE2-NH1 3.04Å; E251-R284 PolarHBondContact OE2-NH1 3.5Å
252C92.7Very high81.4Confident34 Ų3465.1 Ų65.123%0.2336%0.363CS..EExtended strand (participates in β ladder)trans-140.9143.6169.764.70000110.4V235 F254 M281 Q282V235-C252 HydrophobicContact CG2-CB 4.38Å; V235-C252 VanDerWaalsContact CG2-SG 3.52Å; C252-F254 HydrophobicContact CB-CE2 4.44Å; C252-F254 HydrophobicContact CB-CZ 4.2Å; C252-F254 WeakPolarHBondContact SG-CE2 3.25Å; C252-F254 WeakPolarHBondContact SG-CZ 3.48Å; C252-M281 HydrophobicContact CB-CE 3.98Å; C252-Q282 CarbonylContact C-O 3.58Å; C252-Q282 WeakPolarHBondContact CA-O 3.45Å
253S92.9Very high83.4Confident57 Ų5762.8 Ų62.840%0.39934%0.336SS..EExtended strand (participates in β ladder)trans-120.4151169.663.50000109.5M281 Q282S253-M281 CarbonylContact O-C 3.59Å; S253-M281 WeakPolarHBondContact O-CA 3.34Å; S253-Q282 PolarHBondContact N-O 3.44Å; S253-Q282 PolarHBondContact O-N 2.8Å; S253-Q282 WeakPolarHBondContact OG-CB 3.37Å
254F93.4Very high85.2Confident54 Ų5457.3 Ų57.324%0.23732%0.319CS..EExtended strand (participates in β ladder)trans-124147.3-177.5-58.7-77.7000110.1C252 V258 L260 F263 L269 M281C252-F254 HydrophobicContact CB-CE2 4.44Å; C252-F254 HydrophobicContact CB-CZ 4.2Å; C252-F254 WeakPolarHBondContact SG-CE2 3.25Å; C252-F254 WeakPolarHBondContact SG-CZ 3.48Å; F254-V258 HydrophobicContact CB-CB 4.27Å; F254-V258 HydrophobicContact CD1-CG1 4.44Å; F254-L260 HydrophobicContact CB-CD2 4.32Å; F254-L260 HydrophobicContact CD1-CD2 3.96Å; F254-L260 HydrophobicContact CD2-CD1 3.78Å; F254-L260 HydrophobicContact CD2-CD2 3.67Å; F254-L260 HydrophobicContact CD2-CG 4.38Å; F254-L260 HydrophobicContact CE1-CD2 4.19Å; F254-L260 HydrophobicContact CE2-CD1 4.23Å; F254-L260 HydrophobicContact CE2-CD2 3.9Å; F254-L260 HydrophobicContact CG-CD1 4.4Å; F254-L260 HydrophobicContact CG-CD2 3.7Å; F254-L260 HydrophobicContact CZ-CD2 4.16Å; F254-F263 HydrophobicContact CE1-CD2 4.46Å; F254-F263 HydrophobicContact CE1-CE2 4.08Å; F254-F263 HydrophobicContact CE1-CZ 4.18Å; F254-F263 HydrophobicContact CE2-CE1 4.22Å; F254-F263 HydrophobicContact CE2-CZ 4.45Å; F254-F263 HydrophobicContact CZ-CD1 4.16Å; F254-F263 HydrophobicContact CZ-CD2 4.33Å; F254-F263 AromaticContact CZ-CE1 3.67Å; F254-F263 HydrophobicContact CZ-CE1 3.67Å; F254-F263 AromaticContact CZ-CE2 3.85Å; F254-F263 HydrophobicContact CZ-CE2 3.85Å; F254-F263 HydrophobicContact CZ-CG 4.46Å; F254-F263 AromaticContact CZ-CZ 3.5Å; F254-F263 HydrophobicContact CZ-CZ 3.5Å; F254-F263 VanDerWaalsContact CZ-CZ 3.5Å; F254-L269 HydrophobicContact CD1-CD2 3.87Å; F254-L269 HydrophobicContact CE1-CD2 3.48Å; F254-L269 VanDerWaalsContact CE1-CD2 3.48Å; F254-L269 HydrophobicContact CZ-CD2 4.45Å; F254-M281 HydrophobicContact CD1-CB 4.01Å; F254-M281 HydrophobicContact CD1-CG 3.92Å; F254-M281 HydrophobicContact CE1-CB 4.18Å; F254-M281 HydrophobicContact CE1-CE 4.25Å; F254-M281 HydrophobicContact CE1-CG 3.65Å; F254-M281 HydrophobicContact CE1-SD 3.78Å
255H89.6Confident86.8Confident60 Ų6060 Ų6028%0.27833%0.332SS..  trans-67.2149.1169.7-173.6-103.8000110.8S257 V258 A279 V280H255-S257 WeakPolarHBondContact ND1-CB 3.46Å; H255-S257 PolarHBondContact ND1-N 2.65Å; H255-S257 PolarHBondContact ND1-OG 3.22Å; H255-S257 PolarHBondContact O-N 3.1Å; H255-V258 HydrophobicContact CB-CG2 4.31Å; H255-V258 WeakPolarHBondContact O-CB 3.4Å; H255-V258 PolarHBondContact O-N 2.95Å; H255-A279 VanDerWaalsContact CB-O 3.31Å; H255-A279 WeakPolarHBondContact CB-O 3.49Å; H255-V280 PolarHBondContact N-O 2.57Å
256Q84.4Confident88.4Confident165 Ų16560.7 Ų60.777%0.77132%0.318SS*.THydrogen-bonded Turntrans-57.5-22.4-179.162.2179.7-3.200114.5V258Q256-V258 VanDerWaalsContact C-N 3.25Å; Q256-V258 PolarHBondContact O-N 2.8Å
257S84.6Confident89.4Confident34 Ų3461.1 Ų61.124%0.23831%0.31CS..THydrogen-bonded Turntrans-78.2-8.3177.167.10000113.8H255 L271H255-S257 WeakPolarHBondContact ND1-CB 3.46Å; H255-S257 PolarHBondContact ND1-N 2.65Å; H255-S257 PolarHBondContact ND1-OG 3.22Å; H255-S257 PolarHBondContact O-N 3.1Å; S257-L271 WeakPolarHBondContact O-CA 3.49Å; S257-L271 VanDerWaalsContact O-CB 3.29Å; S257-L271 WeakPolarHBondContact O-CB 3.34Å
258V90.8Very high89.9Confident15 Ų1561.8 Ų61.89%0.09131%0.313CS..EExtended strand (participates in β ladder)trans-88.2121.2-178.6-174.30000110.3F254 H255 Q256 L260 L269 R270 L271 V280F254-V258 HydrophobicContact CB-CB 4.27Å; F254-V258 HydrophobicContact CD1-CG1 4.44Å; H255-V258 HydrophobicContact CB-CG2 4.31Å; H255-V258 WeakPolarHBondContact O-CB 3.4Å; H255-V258 PolarHBondContact O-N 2.95Å; Q256-V258 VanDerWaalsContact C-N 3.25Å; Q256-V258 PolarHBondContact O-N 2.8Å; V258-L260 HydrophobicContact CG1-CD2 3.82Å; V258-L269 HydrophobicContact CG1-CB 4.12Å; V258-L269 HydrophobicContact CG1-CD2 4.12Å; V258-R270 CarbonylContact C-O 3.55Å; V258-R270 WeakPolarHBondContact CA-O 3.48Å; V258-L271 HydrophobicContact CG2-CB 4.37Å; V258-V280 HydrophobicContact CG2-CB 4.2Å; V258-V280 WeakPolarHBondContact CG2-O 3.26Å
259Q90.6Very high90.2Very high78 Ų7859 Ų5936%0.36430%0.303SS..EExtended strand (participates in β ladder)trans-85.5124.9169.1-59.5177.117.600108.7D261 R270Q259-D261 WeakPolarHBondContact CB-OD1 3.5Å; Q259-R270 HydrophobicContact CB-CB 4.3Å; Q259-R270 PolarHBondContact N-O 2.8Å; Q259-R270 VanDerWaalsContact OE1-CZ 3.26Å
260L90.6Very high90.3Very high60 Ų6061.9 Ų61.931%0.31431%0.314SS..  trans-99.47.4-173.6-59.5176.9000113.4F254 V258 E262 F263F254-L260 HydrophobicContact CB-CD2 4.32Å; F254-L260 HydrophobicContact CD1-CD2 3.96Å; F254-L260 HydrophobicContact CD2-CD1 3.78Å; F254-L260 HydrophobicContact CD2-CD2 3.67Å; F254-L260 HydrophobicContact CD2-CG 4.38Å; F254-L260 HydrophobicContact CE1-CD2 4.19Å; F254-L260 HydrophobicContact CE2-CD1 4.23Å; F254-L260 HydrophobicContact CE2-CD2 3.9Å; F254-L260 HydrophobicContact CG-CD1 4.4Å; F254-L260 HydrophobicContact CG-CD2 3.7Å; F254-L260 HydrophobicContact CZ-CD2 4.16Å; V258-L260 HydrophobicContact CG1-CD2 3.82Å; L260-E262 VanDerWaalsContact C-N 3.32Å; L260-E262 PolarHBondContact O-N 2.8Å; L260-F263 HydrophobicContact CB-CB 4.24Å; L260-F263 HydrophobicContact CD2-CB 4.06Å; L260-F263 HydrophobicContact CD2-CG 4.24Å; L260-F263 WeakPolarHBondContact O-CB 3.47Å; L260-F263 PolarHBondContact O-N 2.72Å; L260-F263 VanDerWaalsContact O-N 3.13Å
261D91.7Very high90.4Very high91 Ų9160.3 Ų60.349%0.48731%0.305SS..THydrogen-bonded Turntrans-55.5-43.9177.957.3-33.6000112.3Q259 R270Q259-D261 WeakPolarHBondContact CB-OD1 3.5Å; D261-R270 IonicContact OD2-NH1 2.59Å; D261-R270 PolarHBondContact OD2-NH1 3.21Å; D261-R270 VanDerWaalsContact OD2-NH1 3.15Å
262E91.5Very high90.2Very high35 Ų3559.1 Ų59.116%0.16431%0.306CS..THydrogen-bonded Turntrans-88.3-11.6177.8-60.2-176.3-150.300113.2R226 L260 H266 R267 I268R226-E262 IonicContact CZ-OE1 3.17Å; R226-E262 IonicContact NE-OE1 3.38Å; R226-E262 PolarHBondContact NE-OE1 2.74Å; R226-E262 IonicContact NE-OE2 2.8Å; R226-E262 PolarHBondContact NE-OE2 3.04Å; R226-E262 IonicContact NH2-OE1 3.62Å; R226-E262 PolarHBondContact NH2-OE1 3.45Å; L260-E262 VanDerWaalsContact C-N 3.32Å; L260-E262 PolarHBondContact O-N 2.8Å; E262-H266 WeakPolarHBondContact O-CB 3.03Å; E262-H266 PolarHBondContact O-N 3.19Å; E262-R267 PolarHBondContact O-N 2.79Å; E262-I268 HydrophobicContact CB-CB 3.89Å; E262-I268 HydrophobicContact CB-CG2 4.33Å; E262-I268 WeakPolarHBondContact OE2-CD1 3.46Å
263F90.4Very high89.6Confident10 Ų1058.3 Ų58.34%0.04430%0.3CS..Hα-helixtrans-69.6-43-172.6-179-104000112.5L229 F233 F254 L260 S265 R267 I268 L269L229-F263 HydrophobicContact CD1-CE2 4.11Å; F233-F263 HydrophobicContact CD1-CE2 4.41Å; F233-F263 AromaticContact CD1-CZ 3.98Å; F233-F263 HydrophobicContact CD1-CZ 3.98Å; F233-F263 HydrophobicContact CE1-CE2 4.4Å; F233-F263 AromaticContact CE1-CZ 3.78Å; F233-F263 HydrophobicContact CE1-CZ 3.78Å; F254-F263 HydrophobicContact CE1-CD2 4.46Å; F254-F263 HydrophobicContact CE1-CE2 4.08Å; F254-F263 HydrophobicContact CE1-CZ 4.18Å; F254-F263 HydrophobicContact CE2-CE1 4.22Å; F254-F263 HydrophobicContact CE2-CZ 4.45Å; F254-F263 HydrophobicContact CZ-CD1 4.16Å; F254-F263 HydrophobicContact CZ-CD2 4.33Å; F254-F263 AromaticContact CZ-CE1 3.67Å; F254-F263 HydrophobicContact CZ-CE1 3.67Å; F254-F263 AromaticContact CZ-CE2 3.85Å; F254-F263 HydrophobicContact CZ-CE2 3.85Å; F254-F263 HydrophobicContact CZ-CG 4.46Å; F254-F263 AromaticContact CZ-CZ 3.5Å; F254-F263 HydrophobicContact CZ-CZ 3.5Å; F254-F263 VanDerWaalsContact CZ-CZ 3.5Å; L260-F263 HydrophobicContact CB-CB 4.24Å; L260-F263 HydrophobicContact CD2-CB 4.06Å; L260-F263 HydrophobicContact CD2-CG 4.24Å; L260-F263 WeakPolarHBondContact O-CB 3.47Å; L260-F263 PolarHBondContact O-N 2.72Å; L260-F263 VanDerWaalsContact O-N 3.13Å; F263-S265 VanDerWaalsContact C-N 3.35Å; F263-S265 PolarHBondContact O-N 3.09Å; F263-R267 VanDerWaalsContact O-CA 3.29Å; F263-R267 WeakPolarHBondContact O-CA 3.34Å; F263-R267 WeakPolarHBondContact O-CD 3.32Å; F263-R267 PolarHBondContact O-N 3.47Å; F263-R267 PolarHBondContact O-NH1 2.83Å; F263-I268 WeakPolarHBondContact CA-O 3.18Å; F263-I268 PolarHBondContact N-O 2.86Å; F263-L269 HydrophobicContact CD2-CD2 3.52Å; F263-L269 HydrophobicContact CE2-CD2 3.83Å; F263-L269 HydrophobicContact CG-CD2 4.44Å
264H83.3Confident88.8Confident137 Ų13756.2 Ų56.263%0.63429%0.286SS*.Hα-helixtrans-67.4-31.5-176.1-71.5-72.7000114R267H264-R267 PolarHBondContact O-NH1 3.29Å
265S85.8Confident88.1Confident95 Ų9555 Ų5566%0.66428%0.281SS*.Hα-helixtrans-99.6-36.3-177.5-57.80000113F263F263-S265 VanDerWaalsContact C-N 3.35Å; F263-S265 PolarHBondContact O-N 3.09Å
266H88.2Confident87.5Confident116 Ų11652.3 Ų52.354%0.53727%0.269SS..Hα-helixtrans-122.2-4-169.3-57.5-58.3000114.2E262 I268E262-H266 WeakPolarHBondContact O-CB 3.03Å; E262-H266 PolarHBondContact O-N 3.19Å; H266-I268 HydrophobicContact CB-CB 4.48Å; H266-I268 HydrophobicContact CB-CD1 3.56Å; H266-I268 HydrophobicContact CB-CG1 3.73Å; H266-I268 PolarHBondContact O-N 2.95Å
267R92.3Very high87.4Confident53 Ų5345.8 Ų45.820%0.224%0.238CC..  trans55.339.3-174.6-58.6-65.2-177.1-88.6-12.2112.3L229 N230 F233 E262 F263 H264L229-R267 HydrophobicContact CB-CB 4.31Å; L229-R267 PolarHBondContact N-O 3.14Å; N230-R267 WeakPolarHBondContact O-CG 3.49Å; F233-R267 HydrophobicContact CB-CG 4.06Å; F233-R267 PolarHBondContact O-NE 2.88Å; F233-R267 PolarHBondContact O-NH2 2.96Å; F233-R267 VanDerWaalsContact O-NH2 3.11Å; E262-R267 PolarHBondContact O-N 2.79Å; F263-R267 VanDerWaalsContact O-CA 3.29Å; F263-R267 WeakPolarHBondContact O-CA 3.34Å; F263-R267 WeakPolarHBondContact O-CD 3.32Å; F263-R267 PolarHBondContact O-N 3.47Å; F263-R267 PolarHBondContact O-NH1 2.83Å; H264-R267 PolarHBondContact O-NH1 3.29Å
268I94.7Very high87.3Confident18 Ų1845.7 Ų45.79%0.09223%0.234CC..EExtended strand (participates in β ladder)trans-103124.9177.3-60.7172.7000108.4R226 I227 E262 F263 H266 F414R226-I268 HydrophobicContact CB-CG2 3.81Å; R226-I268 HydrophobicContact CG-CG2 3.98Å; I227-I268 CarbonylContact O-C 3.53Å; I227-I268 WeakPolarHBondContact O-CA 3.2Å; E262-I268 HydrophobicContact CB-CB 3.89Å; E262-I268 HydrophobicContact CB-CG2 4.33Å; E262-I268 WeakPolarHBondContact OE2-CD1 3.46Å; F263-I268 WeakPolarHBondContact CA-O 3.18Å; F263-I268 PolarHBondContact N-O 2.86Å; H266-I268 HydrophobicContact CB-CB 4.48Å; H266-I268 HydrophobicContact CB-CD1 3.56Å; H266-I268 HydrophobicContact CB-CG1 3.73Å; H266-I268 PolarHBondContact O-N 2.95Å; I268-F414 HydrophobicContact CD1-CZ 3.84Å; I268-F414 HydrophobicContact CG1-CZ 3.9Å
269L94.1Very high87.3Confident0 Ų046.5 Ų46.50%024%0.243CC..EExtended strand (participates in β ladder)trans-87.5113.8166.4-51.7176.4000107.8R226 I227 L229 F254 V258 F263 L271 V280 M281R226-L269 WeakPolarHBondContact CA-O 3.24Å; I227-L269 HydrophobicContact CB-CB 4.25Å; I227-L269 PolarHBondContact N-O 3.07Å; I227-L269 PolarHBondContact O-N 3.31Å; L229-L269 HydrophobicContact CD1-CD1 4.26Å; L229-L269 HydrophobicContact CD1-CG 4.27Å; L229-L269 HydrophobicContact CD2-CD1 4.49Å; F254-L269 HydrophobicContact CD1-CD2 3.87Å; F254-L269 HydrophobicContact CE1-CD2 3.48Å; F254-L269 VanDerWaalsContact CE1-CD2 3.48Å; F254-L269 HydrophobicContact CZ-CD2 4.45Å; V258-L269 HydrophobicContact CG1-CB 4.12Å; V258-L269 HydrophobicContact CG1-CD2 4.12Å; F263-L269 HydrophobicContact CD2-CD2 3.52Å; F263-L269 HydrophobicContact CE2-CD2 3.83Å; F263-L269 HydrophobicContact CG-CD2 4.44Å; L269-L271 HydrophobicContact CB-CD2 4.34Å; L269-V280 HydrophobicContact CD1-CG2 4.49Å; L269-M281 HydrophobicContact CD1-CB 4.07Å; L269-M281 HydrophobicContact CD1-SD 3.94Å; L269-M281 HydrophobicContact CD2-SD 4.47Å
270R94Very high87.5Confident61 Ų6142.9 Ų42.923%0.2323%0.226CC..EExtended strand (participates in β ladder)trans-102.9127.3176.5-178.4-178.7177.3-143.6-8.5108.7E224 M225 R226 V258 Q259 D261E224-R270 HydrophobicContact CG-CG 4.27Å; E224-R270 IonicContact OE1-CZ 3.15Å; E224-R270 IonicContact OE1-NE 3.02Å; E224-R270 PolarHBondContact OE1-NE 3.15Å; E224-R270 IonicContact OE1-NH2 3.42Å; E224-R270 PolarHBondContact OE1-NH2 3.34Å; M225-R270 WeakPolarHBondContact O-CA 3.07Å; R226-R270 HydrophobicContact CG-CG 4.41Å; V258-R270 CarbonylContact C-O 3.55Å; V258-R270 WeakPolarHBondContact CA-O 3.48Å; Q259-R270 HydrophobicContact CB-CB 4.3Å; Q259-R270 PolarHBondContact N-O 2.8Å; Q259-R270 VanDerWaalsContact OE1-CZ 3.26Å; D261-R270 IonicContact OD2-NH1 2.59Å; D261-R270 PolarHBondContact OD2-NH1 3.21Å; D261-R270 VanDerWaalsContact OD2-NH1 3.15Å
271L91.9Very high87.7Confident3 Ų340.1 Ų40.12%0.01621%0.211CC..EExtended strand (participates in β ladder)trans-153.6158179.459.4155.5000111.9E224 M225 I227 S257 V258 L269 P273 V280E224-L271 CarbonylContact C-O 3.6Å; M225-L271 HydrophobicContact CB-CG 4.5Å; M225-L271 HydrophobicContact CE-CD1 3.51Å; M225-L271 HydrophobicContact CE-CD2 3.67Å; M225-L271 HydrophobicContact CE-CG 3.58Å; M225-L271 PolarHBondContact N-O 2.66Å; M225-L271 PolarHBondContact O-N 2.65Å; I227-L271 HydrophobicContact CD1-CD2 4.28Å; I227-L271 HydrophobicContact CG1-CD2 4.48Å; S257-L271 WeakPolarHBondContact O-CA 3.49Å; S257-L271 VanDerWaalsContact O-CB 3.29Å; S257-L271 WeakPolarHBondContact O-CB 3.34Å; V258-L271 HydrophobicContact CG2-CB 4.37Å; L269-L271 HydrophobicContact CB-CD2 4.34Å; L271-P273 WeakPolarHBondContact O-CD 3.02Å; L271-V280 HydrophobicContact CD1-CB 4.31Å; L271-V280 HydrophobicContact CD1-CG1 3.54Å
272C86.4Confident87.9Confident66 Ų6640.3 Ų40.345%0.44621%0.21SC..  trans-93.8108.2164.9-540000106.7S223 S274S223-C272 PolarHBondContact O-SG 2.99Å; C272-S274 PolarHBondContact O-N 3.09Å
273P79.9Confident88.1Confident16 Ų1639 Ų3910%0.10420%0.203CC..PPolyproline II helixtrans-73.4122.5-175.328.6-30.6000110.1C217 C222 M225 L271C217-P273 HydrophobicContact CB-CB 4.16Å; C222-P273 HydrophobicContact CB-CG 3.57Å; C222-P273 VanDerWaalsContact SG-CG 3.51Å; M225-P273 HydrophobicContact CB-CG 4Å; M225-P273 HydrophobicContact CE-CB 3.94Å; M225-P273 HydrophobicContact CE-CG 4.31Å; M225-P273 HydrophobicContact SD-CB 4.48Å; M225-P273 HydrophobicContact SD-CG 4.38Å; L271-P273 WeakPolarHBondContact O-CD 3.02Å
274S77.3Confident88.3Confident13 Ų1342.8 Ų42.89%0.09122%0.217CC..PPolyproline II helixtrans-61.7152.2163.544.90000110.6D128 C217 C272 H278D128-S274 VanDerWaalsContact OD1-CA 3.29Å; D128-S274 WeakPolarHBondContact OD1-CA 3.46Å; D128-S274 WeakPolarHBondContact OD1-CB 3.38Å; D128-S274 WeakPolarHBondContact OD2-CA 3.23Å; D128-S274 WeakPolarHBondContact OD2-CB 3.41Å; C217-S274 VanDerWaalsContact CB-O 3.29Å; C217-S274 WeakPolarHBondContact CB-O 3.34Å; C272-S274 PolarHBondContact O-N 3.09Å; S274-H278 PolarHBondContact OG-CD2 2.98Å; S274-H278 VanDerWaalsContact OG-CG 3.29Å; S274-H278 PolarHBondContact OG-NE2 3.19Å
275Q77.5Confident88.8Confident30 Ų3036.4 Ų36.414%0.1419%0.188CC..SBendtrans-69.9146.3171.5-70.4-174.43.500109.7D128 I174 M219 P220 H278D128-Q275 PolarHBondContact OD1-N 2.79Å; I174-Q275 HydrophobicContact CG2-CB 3.91Å; M219-Q275 PolarHBondContact O-NE2 2.9Å; P220-Q275 PolarHBondContact O-NE2 2.91Å; Q275-H278 PolarHBondContact O-NE2 3.07Å
276G76.4Confident89.1Confident2 Ų233.7 Ų33.72%0.02117%0.168CC..EExtended strand (participates in β ladder)trans99.3-160.6-178.400000114.9I174 K216 C217I174-G276 VanDerWaalsContact CG1-CA 3.45Å; K216-G276 VanDerWaalsContact CA-O 3.3Å; K216-G276 WeakPolarHBondContact CA-O 3.26Å; C217-G276 PolarHBondContact N-O 3.13Å; C217-G276 PolarHBondContact O-N 2.93Å
277E82.8Confident88.9Confident28 Ų2832.8 Ų32.813%0.13117%0.168CC..EExtended strand (participates in β ladder)trans-105.5114.2-172.1179.2174.8-164.300110.6K91 R214 V215 K216K91-E277 IonicContact NZ-OE1 3.32Å; K91-E277 IonicContact NZ-OE2 2.65Å; K91-E277 PolarHBondContact NZ-OE2 2.99Å; R214-E277 VanDerWaalsContact CD-CG 3.44Å; R214-E277 WeakPolarHBondContact CD-OE1 3.46Å; R214-E277 HydrophobicContact CG-CG 3.92Å; R214-E277 IonicContact CZ-OE1 4Å; R214-E277 IonicContact NE-OE1 2.75Å; R214-E277 IonicContact NH1-OE1 2.98Å; R214-E277 PolarHBondContact NH1-OE1 2.8Å; V215-E277 CarbonylContact O-C 3.37Å; V215-E277 WeakPolarHBondContact O-CA 3.44Å; K216-E277 HydrophobicContact CD-CG 4.44Å; K216-E277 VanDerWaalsContact CE-CD 3.44Å; K216-E277 WeakPolarHBondContact CE-OE1 3.45Å; K216-E277 HydrophobicContact CG-CB 4.11Å; K216-E277 HydrophobicContact CG-CG 3.97Å; K216-E277 IonicContact NZ-OE1 2.72Å
278H82.7Confident88.4Confident32 Ų3235.2 Ų35.215%0.14818%0.181CC..EExtended strand (participates in β ladder)trans-132.5131-176.4-61.2-80.8000111.6D92 R214 V215 S274 Q275 V280D92-H278 IonicContact OD2-CE1 3.39Å; R214-H278 WeakPolarHBondContact CA-O 3.45Å; V215-H278 PolarHBondContact N-O 2.89Å; V215-H278 PolarHBondContact O-N 3.29Å; S274-H278 PolarHBondContact OG-CD2 2.98Å; S274-H278 VanDerWaalsContact OG-CG 3.29Å; S274-H278 PolarHBondContact OG-NE2 3.19Å; Q275-H278 PolarHBondContact O-NE2 3.07Å; H278-V280 PolarHBondContact O-N 3.32Å
279A90.7Very high87.9Confident33 Ų3335.8 Ų35.827%0.27318%0.184SC..EExtended strand (participates in β ladder)trans-72.6108.517000000108.6E212 H255E212-A279 VanDerWaalsContact CD-CB 3.46Å; E212-A279 HydrophobicContact CG-CB 3.95Å; E212-A279 WeakPolarHBondContact OE1-CA 3.45Å; E212-A279 WeakPolarHBondContact OE1-CB 3.36Å; H255-A279 VanDerWaalsContact CB-O 3.31Å; H255-A279 WeakPolarHBondContact CB-O 3.49Å
280V94.3Very high87.5Confident2 Ų239.7 Ų39.71%0.01221%0.21CC..EExtended strand (participates in β ladder)trans-90-28.8-175.9-60.60000112.8V213 V215 I227 H255 V258 L269 L271 H278V213-V280 HydrophobicContact CB-CG2 3.96Å; V213-V280 HydrophobicContact CG1-CG2 3.78Å; V213-V280 VanDerWaalsContact O-CG2 3.24Å; V213-V280 WeakPolarHBondContact O-CG2 3.33Å; V213-V280 PolarHBondContact O-N 3.35Å; V215-V280 HydrophobicContact CB-CG1 4.03Å; V215-V280 HydrophobicContact CG2-CB 4.45Å; V215-V280 HydrophobicContact CG2-CG1 3.61Å; V215-V280 HydrophobicContact CG2-CG2 3.92Å; I227-V280 HydrophobicContact CD1-CG2 4.3Å; H255-V280 PolarHBondContact N-O 2.57Å; V258-V280 HydrophobicContact CG2-CB 4.2Å; V258-V280 WeakPolarHBondContact CG2-O 3.26Å; L269-V280 HydrophobicContact CD1-CG2 4.49Å; L271-V280 HydrophobicContact CD1-CB 4.31Å; L271-V280 HydrophobicContact CD1-CG1 3.54Å; H278-V280 PolarHBondContact O-N 3.32Å
281M95.3Very high87.1Confident1 Ų139.6 Ų39.61%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-148.7135.8179.5175.6-175.2174.400109E212 V213 L229 F233 C252 S253 F254 L269 Y283E212-M281 CarbonylContact C-O 3.57Å; E212-M281 WeakPolarHBondContact CA-O 3.49Å; V213-M281 HydrophobicContact CB-CB 4.15Å; V213-M281 HydrophobicContact CG2-CB 4.27Å; V213-M281 HydrophobicContact CG2-SD 4.32Å; V213-M281 PolarHBondContact N-O 3.3Å; V213-M281 PolarHBondContact O-N 3.39Å; L229-M281 HydrophobicContact CD1-CE 4.23Å; L229-M281 HydrophobicContact CD1-SD 3.77Å; F233-M281 HydrophobicContact CE1-CE 3.89Å; F233-M281 HydrophobicContact CE2-CE 4.1Å; F233-M281 HydrophobicContact CZ-CE 3.37Å; C252-M281 HydrophobicContact CB-CE 3.98Å; S253-M281 CarbonylContact O-C 3.59Å; S253-M281 WeakPolarHBondContact O-CA 3.34Å; F254-M281 HydrophobicContact CD1-CB 4.01Å; F254-M281 HydrophobicContact CD1-CG 3.92Å; F254-M281 HydrophobicContact CE1-CB 4.18Å; F254-M281 HydrophobicContact CE1-CE 4.25Å; F254-M281 HydrophobicContact CE1-CG 3.65Å; F254-M281 HydrophobicContact CE1-SD 3.78Å; L269-M281 HydrophobicContact CD1-CB 4.07Å; L269-M281 HydrophobicContact CD1-SD 3.94Å; L269-M281 HydrophobicContact CD2-SD 4.47Å; M281-Y283 HydrophobicContact CE-CD1 4.13Å; M281-Y283 HydrophobicContact CE-CG 4.5Å; M281-Y283 HydrophobicContact CG-CD1 4.49Å
282Q96.6Very high86.9Confident96 Ų9642 Ų4245%0.44924%0.238SC..EExtended strand (participates in β ladder)trans-119.3146.6168.1-66.6169.9-25.500108.6G211 E212 C252 S253G211-Q282 CarbonylContact O-C 3.59Å; G211-Q282 WeakPolarHBondContact O-CA 3.4Å; E212-Q282 HydrophobicContact CB-CG 4.31Å; E212-Q282 HydrophobicContact CG-CG 3.88Å; C252-Q282 CarbonylContact C-O 3.58Å; C252-Q282 WeakPolarHBondContact CA-O 3.45Å; S253-Q282 PolarHBondContact N-O 3.44Å; S253-Q282 PolarHBondContact O-N 2.8Å; S253-Q282 WeakPolarHBondContact OG-CB 3.37Å
283Y95.6Very high87.2Confident7 Ų739.4 Ų39.43%0.02722%0.221CC..EExtended strand (participates in β ladder)trans-145.6151.7-179.355.8-86.1000111V190 E192 G211 V213 V249 E251 M281 T408 L410V190-Y283 WeakPolarHBondContact CG1-OH 3.31Å; E192-Y283 HydrophobicContact CG-CE2 4.35Å; E192-Y283 VanDerWaalsContact CG-OH 3.32Å; E192-Y283 WeakPolarHBondContact CG-OH 3.47Å; E192-Y283 PolarHBondContact OE1-OH 3.5Å; G211-Y283 VanDerWaalsContact C-CE1 3.47Å; G211-Y283 VanDerWaalsContact CA-CZ 3.47Å; G211-Y283 PolarHBondContact N-O 2.81Å; G211-Y283 WeakPolarHBondContact O-CD1 3.44Å; G211-Y283 PolarHBondContact O-N 2.83Å; V213-Y283 HydrophobicContact CG2-CE1 4.18Å; V249-Y283 HydrophobicContact CG1-CD2 3.69Å; V249-Y283 HydrophobicContact CG1-CG 4.18Å; E251-Y283 VanDerWaalsContact O-CA 3.28Å; E251-Y283 WeakPolarHBondContact O-CA 3.34Å; M281-Y283 HydrophobicContact CE-CD1 4.13Å; M281-Y283 HydrophobicContact CE-CG 4.5Å; M281-Y283 HydrophobicContact CG-CD1 4.49Å; Y283-T408 HydrophobicContact CD2-CG2 4.33Å; Y283-T408 HydrophobicContact CE2-CG2 3.82Å; Y283-L410 HydrophobicContact CD1-CD2 4.31Å; Y283-L410 HydrophobicContact CE1-CD2 3.47Å; Y283-L410 VanDerWaalsContact CE1-CD2 3.47Å; Y283-L410 HydrophobicContact CE2-CD2 4.36Å; Y283-L410 VanDerWaalsContact CZ-CD2 3.49Å; Y283-L410 WeakPolarHBondContact OH-CD2 3.49Å
284R95Very high87.9Confident89 Ų8938.7 Ų38.734%0.33622%0.216SC..EExtended strand (participates in β ladder)trans-127.1138.9176.1-163.8-174.8-56.8116.617.1110.4I209 E210 V249 D250 E251I209-R284 WeakPolarHBondContact O-CA 3.24Å; E210-R284 HydrophobicContact CG-CG 4.33Å; E210-R284 IonicContact OE1-NE 2.67Å; V249-R284 WeakPolarHBondContact CB-O 3.14Å; D250-R284 PolarHBondContact N-O 2.82Å; E251-R284 HydrophobicContact CG-CB 3.77Å; E251-R284 PolarHBondContact N-O 2.94Å; E251-R284 PolarHBondContact O-N 3.03Å; E251-R284 IonicContact OE1-CZ 2.84Å; E251-R284 IonicContact OE1-NE 3.31Å; E251-R284 IonicContact OE1-NH1 2.64Å; E251-R284 PolarHBondContact OE1-NH1 3.24Å; E251-R284 IonicContact OE1-NH2 3.21Å; E251-R284 PolarHBondContact OE1-NH2 3.26Å; E251-R284 IonicContact OE2-CZ 3.73Å; E251-R284 IonicContact OE2-NH1 3.04Å; E251-R284 PolarHBondContact OE2-NH1 3.5Å
285L93.4Very high88.8Confident4 Ų438.1 Ų38.12%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-123.8130.7167.9172.867.8000108.3D208 I209 L289 T408D208-L285 CarbonylContact C-O 3.57Å; D208-L285 VanDerWaalsContact CA-O 3.29Å; D208-L285 WeakPolarHBondContact CA-O 2.92Å; I209-L285 HydrophobicContact CB-CB 4.41Å; I209-L285 PolarHBondContact N-O 2.87Å; I209-L285 PolarHBondContact O-N 2.82Å; L285-L289 HydrophobicContact CD2-CD2 4.23Å; L285-T408 HydrophobicContact CB-CG2 4.21Å; L285-T408 HydrophobicContact CD2-CG2 4.01Å
286S92.5Very high89.7Confident37 Ų3741.3 Ų41.326%0.25922%0.223SC..EExtended strand (participates in β ladder)trans-122.1132.9178.3-77.30000112D208 D250 E288D208-S286 VanDerWaalsContact OD1-CA 3.24Å; D208-S286 WeakPolarHBondContact OD1-CA 3.28Å; D208-S286 VanDerWaalsContact OD1-CB 3.24Å; D208-S286 WeakPolarHBondContact OD1-CB 3.49Å; D208-S286 PolarHBondContact OD1-OG 3.49Å; D250-S286 PolarHBondContact OD2-N 3.4Å; S286-E288 PolarHBondContact O-N 2.89Å
287D83.1Confident90.7Very high97 Ų9742 Ų4252%0.51923%0.226SC..SBendtrans61.6-37.4176.3-61-40.8000117.3A207 L289A207-D287 VanDerWaalsContact O-CA 3.29Å; A207-D287 WeakPolarHBondContact O-CA 3.36Å; A207-D287 PolarHBondContact O-N 3.29Å; D287-L289 PolarHBondContact O-N 3.07Å; D287-L289 VanDerWaalsContact O-N 3.17Å
288E81.9Confident91.3Very high105 Ų10545.3 Ų45.349%0.49124%0.24SC..  trans-91.864.6-172.6-64.4-173.4169.800112.6R248 S286R248-E288 IonicContact CZ-OE2 2.7Å; R248-E288 IonicContact NH1-OE2 3.52Å; R248-E288 PolarHBondContact NH1-OE2 2.84Å; R248-E288 IonicContact NH2-OE2 3.67Å; R248-E288 PolarHBondContact NH2-OE2 3.24Å; S286-E288 PolarHBondContact O-N 2.89Å
289L85.2Confident91.9Very high30 Ų3045.8 Ų45.816%0.15725%0.246CC..  trans-59.3133.2173.8-72.1-179.5000111.6M194 A207 I209 L285 D287 S291 P293M194-L289 HydrophobicContact CE-CD1 4.39Å; M194-L289 HydrophobicContact CE-CD2 4.32Å; A207-L289 HydrophobicContact CB-CD1 3.5Å; A207-L289 HydrophobicContact CB-CD2 4.42Å; A207-L289 HydrophobicContact CB-CG 3.6Å; I209-L289 HydrophobicContact CD1-CD2 3.32Å; I209-L289 HydrophobicContact CG1-CD2 3.76Å; L285-L289 HydrophobicContact CD2-CD2 4.23Å; D287-L289 PolarHBondContact O-N 3.07Å; D287-L289 VanDerWaalsContact O-N 3.17Å; L289-S291 VanDerWaalsContact CB-O 3.28Å; L289-S291 WeakPolarHBondContact CB-O 3.28Å; L289-S291 PolarHBondContact O-N 3.18Å; L289-P293 HydrophobicContact CD1-CG 4.26Å
290P84.8Confident92.1Very high81 Ų8146.3 Ų46.353%0.52625%0.248SC..SBendtrans-62.1-24.5174.4-22.230.7000113.7G407P290-G407 WeakPolarHBondContact CD-O 3.43Å
291S84.9Confident92.2Very high59 Ų5948.2 Ų48.241%0.41326%0.259SS..SBendtrans-139.2161-178.164.60000111.3L289L289-S291 VanDerWaalsContact CB-O 3.28Å; L289-S291 WeakPolarHBondContact CB-O 3.28Å; L289-S291 PolarHBondContact O-N 3.18Å
292A88Confident92.1Very high53 Ų5353.5 Ų53.544%0.43828%0.284SS..  trans-60.9150.1178.100000111.3
293P92.9Very high91.9Very high13 Ų1356.3 Ų56.38%0.08429%0.29CS..  trans-54.7149176.1-24.232.1000112.6V196 L204 L289 F295 Y438V196-P293 HydrophobicContact CG1-CB 4.49Å; L204-P293 HydrophobicContact CD1-CG 3.8Å; L204-P293 HydrophobicContact CD2-CG 3.95Å; L204-P293 HydrophobicContact CG-CG 4.43Å; L289-P293 HydrophobicContact CD1-CG 4.26Å; P293-F295 VanDerWaalsContact C-N 3.26Å; P293-F295 PolarHBondContact O-N 3.27Å; P293-Y438 HydrophobicContact CB-CE2 4.41Å; P293-Y438 WeakPolarHBondContact CB-OH 3.45Å
294P95.1Very high91.6Very high1 Ų158 Ų581%0.00630%0.3CS..SBendtrans-67.7-21.3-170.725.9-36.2000114.4M194 C317 D318 L319 F400 L402 Y438M194-P294 HydrophobicContact SD-CG 4.07Å; P294-C317 CarbonylContact O-C 3.55Å; P294-D318 PolarHBondContact O-N 3.1Å; P294-L319 HydrophobicContact CB-CD1 4.45Å; P294-L319 HydrophobicContact CB-CD2 3.73Å; P294-L319 HydrophobicContact CB-CG 3.93Å; P294-F400 HydrophobicContact CG-CE2 4.41Å; P294-F400 HydrophobicContact CG-CZ 4.05Å; P294-L402 HydrophobicContact CB-CD1 3.96Å; P294-L402 HydrophobicContact CG-CD1 4.06Å; P294-Y438 HydrophobicContact CG-CE2 4.16Å
295F97.1Very high91.1Very high0 Ų059.7 Ų59.70%033%0.326CS..EExtended strand (participates in β ladder)trans-131.6146.5-177.1-56.2-71.2000111.8P293 L315 R316 C317 A325 L328 F368 L398 F400 L402 Y438P293-F295 VanDerWaalsContact C-N 3.26Å; P293-F295 PolarHBondContact O-N 3.27Å; F295-L315 HydrophobicContact CB-CD1 4.33Å; F295-R316 VanDerWaalsContact CA-O 3.32Å; F295-R316 WeakPolarHBondContact CA-O 3.46Å; F295-C317 HydrophobicContact CD1-CB 4.26Å; F295-C317 HydrophobicContact CE1-CB 4.13Å; F295-A325 HydrophobicContact CE1-CB 4.15Å; F295-A325 HydrophobicContact CZ-CB 3.6Å; F295-L328 HydrophobicContact CD1-CD1 4Å; F295-L328 HydrophobicContact CD2-CD1 4.3Å; F295-L328 HydrophobicContact CE1-CD1 3.47Å; F295-L328 VanDerWaalsContact CE1-CD1 3.47Å; F295-L328 HydrophobicContact CE2-CD1 3.82Å; F295-L328 HydrophobicContact CG-CD1 4.39Å; F295-L328 HydrophobicContact CZ-CD1 3.37Å; F295-F368 HydrophobicContact CD1-CD1 4.23Å; F295-F368 HydrophobicContact CD1-CE1 4.14Å; F295-F368 AromaticContact CE1-CD1 3.85Å; F295-F368 HydrophobicContact CE1-CD1 3.85Å; F295-F368 HydrophobicContact CE1-CE1 4.21Å; F295-L398 HydrophobicContact CB-CD1 3.83Å; F295-L398 HydrophobicContact CD2-CD1 4.28Å; F295-L398 HydrophobicContact CG-CD1 4.19Å; F295-F400 AromaticContact CD2-CD1 3.83Å; F295-F400 HydrophobicContact CD2-CD1 3.83Å; F295-F400 AromaticContact CD2-CE1 3.66Å; F295-F400 HydrophobicContact CD2-CE1 3.66Å; F295-F400 HydrophobicContact CD2-CG 4.42Å; F295-F400 HydrophobicContact CD2-CZ 4.11Å; F295-F400 HydrophobicContact CE2-CB 4.27Å; F295-F400 AromaticContact CE2-CD1 3.46Å; F295-F400 HydrophobicContact CE2-CD1 3.46Å; F295-F400 VanDerWaalsContact CE2-CD1 3.46Å; F295-F400 AromaticContact CE2-CD2 3.86Å; F295-F400 HydrophobicContact CE2-CD2 3.86Å; F295-F400 AromaticContact CE2-CE1 3.59Å; F295-F400 HydrophobicContact CE2-CE1 3.59Å; F295-F400 AromaticContact CE2-CE2 3.99Å; F295-F400 HydrophobicContact CE2-CE2 3.99Å; F295-F400 AromaticContact CE2-CG 3.59Å; F295-F400 HydrophobicContact CE2-CG 3.59Å; F295-F400 AromaticContact CE2-CZ 3.87Å; F295-F400 HydrophobicContact CE2-CZ 3.87Å; F295-F400 HydrophobicContact CZ-CD1 4.46Å; F295-F400 HydrophobicContact CZ-CG 4.31Å; F295-L402 HydrophobicContact CE2-CD2 4.23Å; F295-L402 HydrophobicContact CZ-CD2 4.01Å; F295-Y438 HydrophobicContact CB-CE1 4.36Å; F295-Y438 PolarHBondContact N-OH 2.61Å; F295-Y438 PolarHBondContact O-OH 3.33Å
296R95.6Very high90.6Very high98 Ų9863 Ų6337%0.3735%0.354SS..EExtended strand (participates in β ladder)trans-132.8137.9167-60.6-170-156.2-173.61.3109.5F298 R316 D318R296-F298 HydrophobicContact CB-CE2 4.12Å; R296-F298 HydrophobicContact CB-CZ 4.32Å; R296-R316 VanDerWaalsContact CZ-NH2 3.31Å; R296-R316 PolarHBondContact N-O 3.45Å; R296-R316 PolarHBondContact O-N 3.29Å; R296-D318 WeakPolarHBondContact CD-OD2 3.41Å; R296-D318 IonicContact CZ-OD2 2.84Å; R296-D318 VanDerWaalsContact CZ-OD2 3.32Å; R296-D318 IonicContact NE-OD2 3.78Å; R296-D318 PolarHBondContact NE-OD2 2.99Å; R296-D318 IonicContact NH2-OD2 2.77Å; R296-D318 PolarHBondContact NH2-OD2 2.8Å
297L96.5Very high90.2Very high15 Ų1562 Ų628%0.07935%0.349CS..EExtended strand (participates in β ladder)trans-110.6134.8177-179.269.8000109.4P299 L313 L315 V396 I440 I442L297-P299 WeakPolarHBondContact O-CD 3.16Å; L297-L313 HydrophobicContact CD1-CB 4.04Å; L297-L313 HydrophobicContact CD1-CD2 4.43Å; L297-L313 HydrophobicContact CD2-CD2 4.49Å; L297-L315 HydrophobicContact CB-CD1 4.04Å; L297-L315 HydrophobicContact CD1-CB 4.24Å; L297-L315 HydrophobicContact CD1-CD1 4.03Å; L297-V396 HydrophobicContact CD2-CB 3.84Å; L297-V396 HydrophobicContact CD2-CG1 4.02Å; L297-V396 HydrophobicContact CD2-CG2 3.66Å; L297-I440 HydrophobicContact CB-CD1 3.46Å; L297-I440 VanDerWaalsContact CB-CD1 3.46Å; L297-I440 HydrophobicContact CB-CG2 4.12Å; L297-I440 HydrophobicContact CD2-CB 4.48Å; L297-I440 HydrophobicContact CD2-CD1 4.45Å; L297-I440 HydrophobicContact CD2-CG2 4.41Å; L297-I442 HydrophobicContact CD2-CG2 3.87Å
298F96.3Very high90.6Very high98 Ų9861 Ų6143%0.4334%0.338SS..EExtended strand (participates in β ladder)trans-115.293.2172.3-56-88.1000107.3R296 K314 R316R296-F298 HydrophobicContact CB-CE2 4.12Å; R296-F298 HydrophobicContact CB-CZ 4.32Å; F298-K314 HydrophobicContact CB-CB 4.22Å; F298-K314 PolarHBondContact N-O 2.8Å; F298-K314 PolarHBondContact O-N 3.4Å; F298-R316 HydrophobicContact CE2-CB 4.08Å
299P95.6Very high91.2Very high43 Ų4356 Ų5628%0.27931%0.314SS..EExtended strand (participates in β ladder)trans-86.5148.5-179.636.9-37.8000111.7L297 Y312 L313 I442L297-P299 WeakPolarHBondContact O-CD 3.16Å; P299-Y312 CarbonylContact C-O 3.54Å; P299-Y312 WeakPolarHBondContact CA-O 3.42Å; P299-L313 HydrophobicContact CB-CD2 3.81Å; P299-I442 HydrophobicContact CB-CB 3.92Å; P299-I442 HydrophobicContact CB-CG2 3.76Å; P299-I442 HydrophobicContact CG-CB 3.78Å; P299-I442 HydrophobicContact CG-CG2 3.61Å
300S95.3Very high91.8Very high43 Ų4356.1 Ų56.130%0.30132%0.315SS..EExtended strand (participates in β ladder)trans-129.8128.1155.7-165.90000108.4E302 M311 Y312S300-E302 PolarHBondContact OG-OE1 2.75Å; S300-M311 CarbonylContact O-C 3.56Å; S300-M311 WeakPolarHBondContact O-CA 3.23Å; S300-Y312 PolarHBondContact N-O 3.07Å; S300-Y312 PolarHBondContact O-N 3.18Å
301V95.2Very high92.3Very high42 Ų4252.3 Ų52.326%0.25529%0.29SS..EExtended strand (participates in β ladder)trans-121.7113.9-179.4-173.70000108.2L309 L310 M311 M390 V393 I442V301-L309 HydrophobicContact CG1-CD1 3.65Å; V301-L310 WeakPolarHBondContact CA-O 3.42Å; V301-M311 HydrophobicContact CG1-CG 4.35Å; V301-M390 HydrophobicContact CG1-CE 3.72Å; V301-V393 HydrophobicContact CG1-CB 4.5Å; V301-V393 HydrophobicContact CG1-CG1 4.17Å; V301-V393 HydrophobicContact CG1-CG2 4.37Å; V301-V393 HydrophobicContact CG2-CG1 4.18Å; V301-I442 HydrophobicContact CG2-CD1 4.28Å
302E94.1Very high92.9Very high113 Ų11354.5 Ų54.553%0.52829%0.29SS..EExtended strand (participates in β ladder)trans-135.3164-169.8-67.9174.5-150.400111S300 L310S300-E302 PolarHBondContact OG-OE1 2.75Å; E302-L310 HydrophobicContact CB-CB 4.46Å; E302-L310 PolarHBondContact N-O 3.33Å; E302-L310 PolarHBondContact O-N 3.03Å
303R92.3Very high93.3Very high154 Ų15452 Ų5258%0.58127%0.269SS*.EExtended strand (participates in β ladder)trans-109125.3172.3178.3173.8-179.6-168.1-0.6109.2R308 L385R303-R308 WeakPolarHBondContact CA-O 3.38Å; R303-L385 HydrophobicContact CB-CD2 4.39Å; R303-L385 HydrophobicContact CG-CD2 3.97Å; R303-L385 PolarHBondContact NH1-O 2.92Å
304D89.3Confident93.6Very high42 Ų4254.2 Ų54.223%0.22528%0.278CS..  trans-70.9160.2175-1666.7000111.3A306 G307 R308 L310D304-A306 PolarHBondContact O-N 3.26Å; D304-G307 WeakPolarHBondContact O-CA 3.39Å; D304-G307 PolarHBondContact O-N 3.39Å; D304-R308 HydrophobicContact CB-CB 4.2Å; D304-R308 PolarHBondContact N-O 2.87Å; D304-R308 IonicContact OD2-CZ 3.33Å; D304-R308 IonicContact OD2-NE 2.76Å; D304-R308 PolarHBondContact OD2-NE 2.66Å; D304-R308 IonicContact OD2-NH2 2.61Å; D304-R308 PolarHBondContact OD2-NH2 2.87Å; D304-L310 HydrophobicContact CB-CD1 3.76Å; D304-L310 HydrophobicContact CB-CD2 4.38Å; D304-L310 HydrophobicContact CB-CG 3.95Å
305S83.9Confident93.7Very high126 Ų12654.2 Ų54.288%0.88128%0.278SS*.THydrogen-bonded Turntrans-59.7-27.7174.761.20000112.8G307S305-G307 PolarHBondContact O-N 2.95Å
306A82.7Confident93.7Very high73 Ų7357.9 Ų57.960%0.60329%0.291SS*.THydrogen-bonded Turntrans-76.7-1.2172.700000113.9D304 R308D304-A306 PolarHBondContact O-N 3.26Å; A306-R308 HydrophobicContact CB-CG 4.4Å
307G84.1Confident93.7Very high15 Ų1553.2 Ų53.216%0.15527%0.274CS..SBendtrans81.911.4-179.700000115.3D304 S305 L385D304-G307 WeakPolarHBondContact O-CA 3.39Å; D304-G307 PolarHBondContact O-N 3.39Å; S305-G307 PolarHBondContact O-N 2.95Å; G307-L385 WeakPolarHBondContact O-CD2 3.44Å
308R91.8Very high93.7Very high78 Ų7854.9 Ų54.929%0.29428%0.283SS..  trans-80.7152.7176.4-60.1-177.1-63.8-175-2.4111.5R303 D304 A306 L380 D381R303-R308 WeakPolarHBondContact CA-O 3.38Å; D304-R308 HydrophobicContact CB-CB 4.2Å; D304-R308 PolarHBondContact N-O 2.87Å; D304-R308 IonicContact OD2-CZ 3.33Å; D304-R308 IonicContact OD2-NE 2.76Å; D304-R308 PolarHBondContact OD2-NE 2.66Å; D304-R308 IonicContact OD2-NH2 2.61Å; D304-R308 PolarHBondContact OD2-NH2 2.87Å; A306-R308 HydrophobicContact CB-CG 4.4Å; R308-L380 WeakPolarHBondContact CB-O 3.39Å; R308-D381 WeakPolarHBondContact CD-OD1 3.21Å; R308-D381 VanDerWaalsContact CG-OD1 3.26Å; R308-D381 WeakPolarHBondContact CG-OD1 3.47Å
309L95.4Very high93.6Very high0 Ų050.6 Ų50.60%026%0.264CS..EExtended strand (participates in β ladder)trans-83.1122.4170.8171.365.2000109V301 M311 P335 K379 L380 V382 L385 M390 V393V301-L309 HydrophobicContact CG1-CD1 3.65Å; L309-M311 HydrophobicContact CD1-CG 4.31Å; L309-M311 HydrophobicContact CD2-CG 4.37Å; L309-M311 HydrophobicContact CD2-SD 4.28Å; L309-M311 HydrophobicContact CG-CG 4.1Å; L309-P335 HydrophobicContact CD2-CG 4.01Å; L309-K379 WeakPolarHBondContact O-CA 3.36Å; L309-L380 HydrophobicContact CB-CB 4.21Å; L309-L380 HydrophobicContact CD2-CB 4.49Å; L309-L380 PolarHBondContact N-O 3.34Å; L309-L380 PolarHBondContact O-N 3.03Å; L309-V382 HydrophobicContact CB-CG2 4.21Å; L309-L385 HydrophobicContact CB-CD1 4.44Å; L309-L385 HydrophobicContact CB-CD2 3.96Å; L309-M390 HydrophobicContact CD1-CE 3.87Å; L309-M390 HydrophobicContact CD1-SD 3.58Å; L309-M390 VanDerWaalsContact CD1-SD 3.58Å; L309-V393 HydrophobicContact CD1-CG2 4.27Å; L309-V393 HydrophobicContact CD2-CG2 3.83Å
310L96.5Very high93.5Very high32 Ų3251.8 Ų51.817%0.16827%0.272CS..EExtended strand (participates in β ladder)trans-106.8123.8174-61179.5000109.1V301 E302 D304 F378 K379V301-L310 WeakPolarHBondContact CA-O 3.42Å; E302-L310 HydrophobicContact CB-CB 4.46Å; E302-L310 PolarHBondContact N-O 3.33Å; E302-L310 PolarHBondContact O-N 3.03Å; D304-L310 HydrophobicContact CB-CD1 3.76Å; D304-L310 HydrophobicContact CB-CD2 4.38Å; D304-L310 HydrophobicContact CB-CG 3.95Å; L310-F378 WeakPolarHBondContact CA-O 3.46Å; L310-K379 HydrophobicContact CD2-CB 3.97Å; L310-K379 HydrophobicContact CD2-CD 4.17Å; L310-K379 HydrophobicContact CD2-CG 3.6Å
311M96.4Very high93.4Very high0 Ų054.9 Ų54.90%029%0.291CS..EExtended strand (participates in β ladder)trans-119.5107.4172.1-54.4-175.5-64.400108.8S300 V301 L309 I332 V334 V361 L377 F378 L380 V393S300-M311 CarbonylContact O-C 3.56Å; S300-M311 WeakPolarHBondContact O-CA 3.23Å; V301-M311 HydrophobicContact CG1-CG 4.35Å; L309-M311 HydrophobicContact CD1-CG 4.31Å; L309-M311 HydrophobicContact CD2-CG 4.37Å; L309-M311 HydrophobicContact CD2-SD 4.28Å; L309-M311 HydrophobicContact CG-CG 4.1Å; M311-I332 HydrophobicContact CE-CG2 4.19Å; M311-I332 HydrophobicContact SD-CG2 3.92Å; M311-V334 HydrophobicContact CE-CG1 3.71Å; M311-V334 HydrophobicContact SD-CG1 4.17Å; M311-V361 HydrophobicContact CE-CG2 4.11Å; M311-L377 WeakPolarHBondContact O-CA 3.41Å; M311-F378 HydrophobicContact CB-CB 4.31Å; M311-F378 HydrophobicContact CE-CB 3.93Å; M311-F378 HydrophobicContact CE-CD2 4.16Å; M311-F378 HydrophobicContact CE-CG 4.45Å; M311-F378 PolarHBondContact N-O 2.85Å; M311-F378 PolarHBondContact O-N 3.23Å; M311-L380 HydrophobicContact CE-CD1 3.36Å; M311-V393 HydrophobicContact SD-CG1 3.69Å
312Y97.2Very high93.3Very high106 Ų10662.7 Ų62.742%0.41632%0.322SS..EExtended strand (participates in β ladder)trans-94.8114170.7-178.6-99.8000109.2P299 S300 K314 L377P299-Y312 CarbonylContact C-O 3.54Å; P299-Y312 WeakPolarHBondContact CA-O 3.42Å; S300-Y312 PolarHBondContact N-O 3.07Å; S300-Y312 PolarHBondContact O-N 3.18Å; Y312-K314 HydrophobicContact CE1-CB 4.09Å; Y312-L377 HydrophobicContact CD2-CB 4.32Å; Y312-L377 HydrophobicContact CD2-CD1 4.5Å
313L97.2Very high93.3Very high0 Ų058.6 Ų58.60%031%0.305CS..EExtended strand (participates in β ladder)trans-115.9117.2-176.8-61.2-170.9000109.5L297 P299 I332 W363 S375 A376 F378L297-L313 HydrophobicContact CD1-CB 4.04Å; L297-L313 HydrophobicContact CD1-CD2 4.43Å; L297-L313 HydrophobicContact CD2-CD2 4.49Å; P299-L313 HydrophobicContact CB-CD2 3.81Å; L313-I332 HydrophobicContact CD1-CD1 3.93Å; L313-I332 HydrophobicContact CD1-CG1 3.82Å; L313-W363 HydrophobicContact CB-CZ3 4.34Å; L313-S375 CarbonylContact O-C 3.57Å; L313-S375 VanDerWaalsContact O-CA 3.28Å; L313-S375 WeakPolarHBondContact O-CA 3.15Å; L313-A376 PolarHBondContact N-O 3.18Å; L313-A376 PolarHBondContact O-N 3.5Å; L313-F378 HydrophobicContact CD1-CD2 4.13Å; L313-F378 HydrophobicContact CD1-CE2 3.87Å
314K97.5Very high93.4Very high60 Ų6053.3 Ų53.326%0.26129%0.291SS..EExtended strand (participates in β ladder)trans-109.6109172177.8179.6-178-176.40109.7F298 Y312 L374F298-K314 HydrophobicContact CB-CB 4.22Å; F298-K314 PolarHBondContact N-O 2.8Å; F298-K314 PolarHBondContact O-N 3.4Å; Y312-K314 HydrophobicContact CE1-CB 4.09Å; K314-L374 CarbonylContact C-O 3.58Å; K314-L374 WeakPolarHBondContact CA-O 3.28Å
315L97.4Very high93.7Very high1 Ų151.3 Ų51.31%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-99.5128.5179.7-169.169.3000109.5F295 L297 L328 W363 I365 F368 Q373 L374 L398F295-L315 HydrophobicContact CB-CD1 4.33Å; L297-L315 HydrophobicContact CB-CD1 4.04Å; L297-L315 HydrophobicContact CD1-CB 4.24Å; L297-L315 HydrophobicContact CD1-CD1 4.03Å; L315-L328 HydrophobicContact CD2-CD2 3.92Å; L315-W363 HydrophobicContact CB-CH2 4.04Å; L315-W363 HydrophobicContact CB-CZ3 4.03Å; L315-W363 HydrophobicContact CD2-CZ3 4.4Å; L315-I365 HydrophobicContact CD2-CD1 4.08Å; L315-F368 HydrophobicContact CB-CE1 4.34Å; L315-F368 HydrophobicContact CD2-CD1 4.23Å; L315-F368 HydrophobicContact CD2-CE1 3.67Å; L315-F368 HydrophobicContact CG-CE1 3.8Å; L315-F368 HydrophobicContact CG-CZ 4.49Å; L315-F368 WeakPolarHBondContact O-CZ 3.49Å; L315-Q373 CarbonylContact O-C 3.6Å; L315-Q373 VanDerWaalsContact O-CA 3.32Å; L315-Q373 WeakPolarHBondContact O-CA 3.46Å; L315-L374 PolarHBondContact N-O 3.3Å; L315-L374 PolarHBondContact O-N 3.11Å; L315-L398 HydrophobicContact CD1-CD1 4.08Å
316R97Very high94.3Very high77 Ų7747.6 Ų47.629%0.29125%0.249SC..EExtended strand (participates in β ladder)trans-112.1135.1178-168.2177.475.7176.210.9109.9F295 R296 F298 D318 Q373F295-R316 VanDerWaalsContact CA-O 3.32Å; F295-R316 WeakPolarHBondContact CA-O 3.46Å; R296-R316 VanDerWaalsContact CZ-NH2 3.31Å; R296-R316 PolarHBondContact N-O 3.45Å; R296-R316 PolarHBondContact O-N 3.29Å; F298-R316 HydrophobicContact CE2-CB 4.08Å; R316-D318 IonicContact CZ-OD1 3.91Å; R316-D318 VanDerWaalsContact CZ-OD1 3.22Å; R316-D318 IonicContact CZ-OD2 2.66Å; R316-D318 IonicContact NE-OD1 4Å; R316-D318 PolarHBondContact NE-OD1 3.49Å; R316-D318 IonicContact NE-OD2 2.69Å; R316-D318 IonicContact NH2-OD1 2.91Å; R316-D318 PolarHBondContact NH2-OD1 3.03Å; R316-D318 VanDerWaalsContact NH2-OD1 3.1Å; R316-D318 IonicContact NH2-OD2 2.75Å; R316-D318 PolarHBondContact NH2-OD2 3.36Å; R316-Q373 HydrophobicContact CG-CB 4.44Å
317C96.8Very high94.8Very high0 Ų049 Ų490%025%0.247CC..EExtended strand (participates in β ladder)trans-99.5108.1174.7-173.20000109.2P294 F295 L319 F368 C369 G371 T372P294-C317 CarbonylContact O-C 3.55Å; F295-C317 HydrophobicContact CD1-CB 4.26Å; F295-C317 HydrophobicContact CE1-CB 4.13Å; C317-L319 VanDerWaalsContact C-N 3.26Å; C317-L319 PolarHBondContact O-N 2.87Å; C317-F368 HydrophobicContact CB-CD1 4.02Å; C317-F368 HydrophobicContact CB-CD2 3.85Å; C317-F368 HydrophobicContact CB-CE1 3.76Å; C317-F368 HydrophobicContact CB-CE2 3.59Å; C317-F368 HydrophobicContact CB-CG 4.06Å; C317-F368 HydrophobicContact CB-CZ 3.54Å; C317-C369 WeakPolarHBondContact CB-O 3.4Å; C317-G371 WeakPolarHBondContact O-CA 3.44Å; C317-G371 PolarHBondContact O-N 2.92Å; C317-T372 PolarHBondContact N-O 3.27Å
318D95.1Very high95.4Very high49 Ų4948.3 Ų48.326%0.26224%0.239SC..  trans-88.17.1-177.5-75.9-2.8000112.8P294 R296 R316P294-D318 PolarHBondContact O-N 3.1Å; R296-D318 WeakPolarHBondContact CD-OD2 3.41Å; R296-D318 IonicContact CZ-OD2 2.84Å; R296-D318 VanDerWaalsContact CZ-OD2 3.32Å; R296-D318 IonicContact NE-OD2 3.78Å; R296-D318 PolarHBondContact NE-OD2 2.99Å; R296-D318 IonicContact NH2-OD2 2.77Å; R296-D318 PolarHBondContact NH2-OD2 2.8Å; R316-D318 IonicContact CZ-OD1 3.91Å; R316-D318 VanDerWaalsContact CZ-OD1 3.22Å; R316-D318 IonicContact CZ-OD2 2.66Å; R316-D318 IonicContact NE-OD1 4Å; R316-D318 PolarHBondContact NE-OD1 3.49Å; R316-D318 IonicContact NE-OD2 2.69Å; R316-D318 IonicContact NH2-OD1 2.91Å; R316-D318 PolarHBondContact NH2-OD1 3.03Å; R316-D318 VanDerWaalsContact NH2-OD1 3.1Å; R316-D318 IonicContact NH2-OD2 2.75Å; R316-D318 PolarHBondContact NH2-OD2 3.36Å
319L94.7Very high95.7Very high8 Ų845.1 Ų45.14%0.04223%0.229CC..SBendtrans-64.1155.7171.8-66.9173.9000111.6P294 C317 A325 G370 G371 L402 W405P294-L319 HydrophobicContact CB-CD1 4.45Å; P294-L319 HydrophobicContact CB-CD2 3.73Å; P294-L319 HydrophobicContact CB-CG 3.93Å; C317-L319 VanDerWaalsContact C-N 3.26Å; C317-L319 PolarHBondContact O-N 2.87Å; L319-A325 HydrophobicContact CD1-CB 4.29Å; L319-G370 CarbonylContact O-C 3.59Å; L319-G370 VanDerWaalsContact O-CA 3.23Å; L319-G370 WeakPolarHBondContact O-CA 3.29Å; L319-G371 PolarHBondContact O-N 3.13Å; L319-L402 HydrophobicContact CD1-CD1 4.33Å; L319-L402 HydrophobicContact CD1-CD2 3.66Å; L319-L402 HydrophobicContact CD2-CD1 4.22Å; L319-W405 HydrophobicContact CD2-CD2 4.15Å; L319-W405 HydrophobicContact CD2-CG 4.28Å; L319-W405 HydrophobicContact CD2-CZ2 4.28Å
320P93.3Very high95.8Very high68 Ų6845.2 Ų45.244%0.44223%0.23SC..  trans-54.1144.2172.4-25.334.5000111.7K322 S323P320-K322 PolarHBondContact O-N 3.44Å; P320-S323 WeakPolarHBondContact O-CA 3.45Å; P320-S323 WeakPolarHBondContact O-CB 3.21Å; P320-S323 PolarHBondContact O-N 3.23Å
321P93.4Very high95.8Very high109 Ų10945.7 Ų45.771%0.70824%0.236SC*.THydrogen-bonded Turntrans-58.8-18.6-177.3-28.235.4000116.2S323 G370P321-S323 VanDerWaalsContact C-N 3.34Å; P321-G370 WeakPolarHBondContact CA-O 3.44Å
322K92.4Very high95.9Very high205 Ų20545.7 Ų45.789%0.89124%0.236SC*.THydrogen-bonded Turntrans-83-12.8175.4-64.7-178.9179.4177.50113.2P320P320-K322 PolarHBondContact O-N 3.44Å
323S94.1Very high95.9Very high27 Ų2742.5 Ų42.519%0.18923%0.229CC..  trans-97.4153.3-179-61.50000110.3P320 P321 G370P320-S323 WeakPolarHBondContact O-CA 3.45Å; P320-S323 WeakPolarHBondContact O-CB 3.21Å; P320-S323 PolarHBondContact O-N 3.23Å; P321-S323 VanDerWaalsContact C-N 3.34Å; S323-G370 PolarHBondContact O-N 2.87Å
324T94.9Very high95.8Very high44 Ų4442.8 Ų42.827%0.2723%0.23SC..EExtended strand (participates in β ladder)trans-141.4128.2-177.8-590000108.5I326 R367 P403T324-I326 HydrophobicContact CG2-CG2 4.47Å; T324-R367 HydrophobicContact CG2-CG 3.32Å; T324-P403 WeakPolarHBondContact O-CD 3.4Å
325A96Very high95.7Very high0 Ų040 Ų400%022%0.218CC..EExtended strand (participates in β ladder)trans-82.5143.4168.100000109.8F295 L319 R367 F368 L402F295-A325 HydrophobicContact CE1-CB 4.15Å; F295-A325 HydrophobicContact CZ-CB 3.6Å; L319-A325 HydrophobicContact CD1-CB 4.29Å; A325-R367 WeakPolarHBondContact O-CA 3.49Å; A325-F368 HydrophobicContact CB-CB 4.35Å; A325-F368 PolarHBondContact N-O 3.14Å; A325-F368 PolarHBondContact O-N 2.72Å; A325-L402 HydrophobicContact CB-CD2 3.44Å; A325-L402 VanDerWaalsContact CB-CD2 3.44Å
326I96Very high95.3Very high47 Ų4748.3 Ų48.324%0.24125%0.25CC..EExtended strand (participates in β ladder)trans-125.3158.2178.764.9177.1000110.1T324 L328 P366 E401 P403T324-I326 HydrophobicContact CG2-CG2 4.47Å; I326-L328 PolarHBondContact O-N 2.95Å; I326-L328 VanDerWaalsContact O-N 3.13Å; I326-P366 WeakPolarHBondContact CA-O 3.31Å; I326-E401 HydrophobicContact CD1-CG 4.32Å; I326-E401 HydrophobicContact CG1-CB 3.92Å; I326-E401 HydrophobicContact CG1-CG 4.14Å; I326-E401 PolarHBondContact N-O 3.11Å; I326-E401 PolarHBondContact O-N 3.28Å; I326-E401 VanDerWaalsContact O-N 3.07Å; I326-P403 HydrophobicContact CD1-CG 4.28Å; I326-P403 HydrophobicContact CG1-CG 4.48Å
327N94Very high94.9Very high103 Ų10346.2 Ų46.255%0.55125%0.252SS*.EExtended strand (participates in β ladder)trans51.837.8177.6-58.9-34.9000112.5P366N327-P366 PolarHBondContact N-O 3.38Å
328L97Very high94.7Very high0 Ų046.8 Ų46.80%026%0.256CS..EExtended strand (participates in β ladder)trans-77.7135.9179.1-174.7146.3000109.5F295 L315 I326 I365 F368 S399 F400F295-L328 HydrophobicContact CD1-CD1 4Å; F295-L328 HydrophobicContact CD2-CD1 4.3Å; F295-L328 HydrophobicContact CE1-CD1 3.47Å; F295-L328 VanDerWaalsContact CE1-CD1 3.47Å; F295-L328 HydrophobicContact CE2-CD1 3.82Å; F295-L328 HydrophobicContact CG-CD1 4.39Å; F295-L328 HydrophobicContact CZ-CD1 3.37Å; L315-L328 HydrophobicContact CD2-CD2 3.92Å; I326-L328 PolarHBondContact O-N 2.95Å; I326-L328 VanDerWaalsContact O-N 3.13Å; L328-I365 HydrophobicContact CB-CB 4.28Å; L328-I365 HydrophobicContact CD2-CB 3.87Å; L328-I365 HydrophobicContact CD2-CD1 3.75Å; L328-I365 HydrophobicContact CD2-CG1 3.94Å; L328-I365 PolarHBondContact N-O 3.32Å; L328-I365 CarbonylContact O-C 3.39Å; L328-I365 WeakPolarHBondContact O-CA 3.41Å; L328-I365 PolarHBondContact O-N 3.25Å; L328-I365 VanDerWaalsContact O-O 3.05Å; L328-F368 HydrophobicContact CD1-CD1 4.18Å; L328-S399 CarbonylContact C-O 3.56Å; L328-S399 WeakPolarHBondContact CA-O 3.45Å; L328-F400 HydrophobicContact CB-CB 4.11Å; L328-F400 HydrophobicContact CD1-CB 3.98Å; L328-F400 HydrophobicContact CG-CB 4.07Å
329S96.6Very high94.7Very high11 Ų1148.7 Ų48.78%0.07727%0.27CS..EExtended strand (participates in β ladder)trans-139.2140.9169.5610000111.1F362 W363 L398 S399S329-F362 WeakPolarHBondContact OG-CZ 3.47Å; S329-W363 CarbonylContact C-O 3.59Å; S329-W363 WeakPolarHBondContact CA-O 3.32Å; S329-L398 WeakPolarHBondContact O-CA 3.33Å; S329-S399 PolarHBondContact N-O 3.37Å; S329-S399 PolarHBondContact O-N 3.08Å
330A97.6Very high94.6Very high2 Ų250.2 Ų50.22%0.01728%0.281CS..EExtended strand (participates in β ladder)trans-106.8128.5171.100000109.7I332 W363 V396 G397 L398A330-I332 HydrophobicContact CB-CD1 4.02Å; A330-W363 HydrophobicContact CB-CB 4.28Å; A330-W363 HydrophobicContact CB-CE3 4.02Å; A330-W363 PolarHBondContact N-O 3.08Å; A330-W363 PolarHBondContact O-N 3.4Å; A330-V396 HydrophobicContact CB-CG1 4.09Å; A330-G397 CarbonylContact C-O 3.56Å; A330-G397 WeakPolarHBondContact CA-O 3.33Å; A330-L398 HydrophobicContact CB-CD2 3.5Å; A330-L398 VanDerWaalsContact CB-CD2 3.5Å
331S97.3Very high94.8Very high42 Ų4249 Ų4929%0.29427%0.271SS..EExtended strand (participates in β ladder)trans-106.4115.1174.6-61.70000108.2V396 G397S331-V396 WeakPolarHBondContact O-CA 3.41Å; S331-G397 PolarHBondContact N-O 3.15Å; S331-G397 PolarHBondContact O-N 3.1Å
332I97.6Very high94.9Very high0 Ų046.7 Ų46.70%026%0.257CS..EExtended strand (participates in β ladder)trans-113.8106.2-178.5-53.897.4000108.4M311 L313 A330 V334 T360 V361 W363 F378 V396 I442M311-I332 HydrophobicContact CE-CG2 4.19Å; M311-I332 HydrophobicContact SD-CG2 3.92Å; L313-I332 HydrophobicContact CD1-CD1 3.93Å; L313-I332 HydrophobicContact CD1-CG1 3.82Å; A330-I332 HydrophobicContact CB-CD1 4.02Å; I332-V334 PolarHBondContact O-N 3.03Å; I332-T360 CarbonylContact O-C 3.53Å; I332-T360 WeakPolarHBondContact O-CA 3.43Å; I332-V361 HydrophobicContact CB-CB 4.39Å; I332-V361 HydrophobicContact CD1-CG1 4.45Å; I332-V361 WeakPolarHBondContact CD1-O 3.32Å; I332-V361 PolarHBondContact N-O 3.47Å; I332-V361 PolarHBondContact O-N 3.33Å; I332-W363 HydrophobicContact CD1-CB 4.34Å; I332-F378 HydrophobicContact CD1-CE2 4.33Å; I332-V396 HydrophobicContact CB-CG2 4.41Å; I332-V396 HydrophobicContact CG1-CB 4.44Å; I332-V396 HydrophobicContact CG1-CG1 4.04Å; I332-V396 HydrophobicContact CG1-CG2 3.75Å; I332-V396 HydrophobicContact CG2-CG2 4.2Å; I332-I442 HydrophobicContact CG2-CD1 4.42Å
333P97Very high95Very high40 Ų4040.6 Ų40.626%0.2623%0.232SC..EExtended strand (participates in β ladder)trans-55.8137.1169.2-24.734.3000110.8V393 G394 P395P333-V393 WeakPolarHBondContact O-CA 3.27Å; P333-G394 PolarHBondContact O-N 3.02Å; P333-P395 WeakPolarHBondContact CD-O 3.16Å
334V96.2Very high95.1Very high6 Ų644.1 Ų44.14%0.03625%0.245CC..  trans-130.4163.3-179-66.40000111.1M311 I332 A338 L354 R359 V361 L380M311-V334 HydrophobicContact CE-CG1 3.71Å; M311-V334 HydrophobicContact SD-CG1 4.17Å; I332-V334 PolarHBondContact O-N 3.03Å; V334-A338 HydrophobicContact CG2-CB 4.07Å; V334-L354 HydrophobicContact CG2-CD1 3.79Å; V334-R359 WeakPolarHBondContact CG2-O 3.04Å; V334-R359 PolarHBondContact N-O 3.08Å; V334-V361 HydrophobicContact CG1-CB 4.4Å; V334-V361 HydrophobicContact CG1-CG2 3.71Å; V334-V361 HydrophobicContact CG2-CG2 4.47Å; V334-L380 HydrophobicContact CB-CD2 3.95Å; V334-L380 HydrophobicContact CG1-CD2 3.77Å; V334-L380 HydrophobicContact CG2-CD2 4.06Å
335P94.9Very high95.2Very high2 Ų244.3 Ų44.31%0.01324%0.244CC..  trans-63.2148.6-173.5-22.334.6000112.7L309 G337 A338 V382 S389 E392 V393L309-P335 HydrophobicContact CD2-CG 4.01Å; P335-G337 PolarHBondContact O-N 3.34Å; P335-A338 WeakPolarHBondContact O-CB 3.46Å; P335-A338 PolarHBondContact O-N 2.89Å; P335-V382 HydrophobicContact CB-CG1 4.28Å; P335-S389 VanDerWaalsContact CG-O 3.27Å; P335-S389 WeakPolarHBondContact CG-O 3.28Å; P335-E392 WeakPolarHBondContact CA-OE2 3.36Å; P335-E392 HydrophobicContact CB-CB 4.39Å; P335-V393 HydrophobicContact CG-CG2 4.01Å
336R89Confident95.1Very high175 Ų17547.4 Ų47.466%0.6627%0.266SS*.THydrogen-bonded Turntrans-56.2-26.2-176.6-60.7-178.9-177.8-167.4-1.2114.5A338 E392R336-A338 VanDerWaalsContact C-N 3.33Å; R336-E392 WeakPolarHBondContact CG-OE2 3.34Å; R336-E392 PolarHBondContact N-OE2 3.49Å
337G88.6Confident94.9Very high33 Ų3346.8 Ų46.834%0.3427%0.266SS..THydrogen-bonded Turntrans-84.93.9179.100000114.9P335 V339 P383P335-G337 PolarHBondContact O-N 3.34Å; G337-V339 PolarHBondContact O-N 2.91Å; G337-P383 WeakPolarHBondContact O-CD 3.46Å
338A93.3Very high94.6Very high11 Ų1147.8 Ų47.89%0.09128%0.278CS..  trans-64.5125.217900000111.6V334 P335 R336 L354 L356 L380 V382V334-A338 HydrophobicContact CG2-CB 4.07Å; P335-A338 WeakPolarHBondContact O-CB 3.46Å; P335-A338 PolarHBondContact O-N 2.89Å; R336-A338 VanDerWaalsContact C-N 3.33Å; A338-L354 HydrophobicContact CB-CD2 4.39Å; A338-L356 VanDerWaalsContact O-CD2 3.24Å; A338-L356 WeakPolarHBondContact O-CD2 3.28Å; A338-L380 HydrophobicContact CB-CD2 3.97Å; A338-V382 HydrophobicContact CB-CG2 4.18Å
339V94.1Very high94.3Very high89 Ų8953.7 Ų53.754%0.53931%0.31SS..  trans-113.2-31-177.8-63.70000113.6G337 D381 P383G337-V339 PolarHBondContact O-N 2.91Å; V339-D381 HydrophobicContact CG2-CB 3.86Å; V339-D381 WeakPolarHBondContact CG2-O 3.42Å; V339-D381 PolarHBondContact N-O 2.83Å; V339-P383 HydrophobicContact CG1-CG 4.37Å; V339-P383 HydrophobicContact CG2-CG 4.42Å
340S93.9Very high94.2Very high41 Ų4153.8 Ų53.829%0.28731%0.309SS..EExtended strand (participates in β ladder)trans-142.4159.6-175.683.20000110.9L380 D381S340-L380 WeakPolarHBondContact O-CA 3.42Å; S340-D381 PolarHBondContact O-N 2.76Å; S340-D381 VanDerWaalsContact OG-CB 3.28Å; S340-D381 WeakPolarHBondContact OG-CB 3.36Å; S340-D381 PolarHBondContact OG-OD2 2.78Å
341L96.1Very high94.1Very high42 Ų4256.6 Ų56.622%0.2233%0.328CS..EExtended strand (participates in β ladder)trans-134.2126.2175172.968.9000109.6A352 L354 V361 F378 L380L341-A352 HydrophobicContact CD2-CB 4.41Å; L341-L354 HydrophobicContact CB-CB 3.81Å; L341-L354 HydrophobicContact CB-CD2 4.36Å; L341-L354 HydrophobicContact CD2-CB 4.15Å; L341-V361 HydrophobicContact CD1-CG2 4.26Å; L341-V361 HydrophobicContact CD2-CG1 4.04Å; L341-V361 HydrophobicContact CD2-CG2 4.33Å; L341-F378 HydrophobicContact CD1-CB 3.75Å; L341-F378 HydrophobicContact CD1-CD1 3.96Å; L341-F378 HydrophobicContact CD1-CG 4.15Å; L341-L380 HydrophobicContact CD1-CD1 3.82Å; L341-L380 HydrophobicContact CD1-CG 3.94Å
342S95.4Very high94.1Very high60 Ų6055 Ų5542%0.4232%0.318SS..EExtended strand (participates in β ladder)trans-109.5140.8161.9172.70000108.8K379S342-K379 PolarHBondContact N-O 3.05Å; S342-K379 PolarHBondContact O-N 3.37Å
343Q95Very high94.1Very high77 Ų7760 Ų6036%0.3634%0.341SS..EExtended strand (participates in β ladder)trans-130.8141.4-173.164.9-173.8-38.300111.8L345 A352 L377 F378Q343-L345 HydrophobicContact CG-CG 4.5Å; Q343-A352 PolarHBondContact NE2-O 3.4Å; Q343-A352 PolarHBondContact OE1-O 3.01Å; Q343-L377 CarbonylContact C-O 3.59Å; Q343-L377 WeakPolarHBondContact CA-O 3.48Å; Q343-F378 HydrophobicContact CB-CD1 3.96Å; Q343-F378 HydrophobicContact CB-CE1 4.11Å
344E96.5Very high94Very high102 Ų10259.7 Ų59.748%0.47734%0.337SS..EExtended strand (participates in β ladder)trans-126.1115.2167.2-64.1170.4-162.400107.9A376 L377 K379E344-A376 CarbonylContact O-C 3.55Å; E344-A376 WeakPolarHBondContact O-CA 3.17Å; E344-L377 HydrophobicContact CB-CB 4.23Å; E344-L377 PolarHBondContact N-O 2.83Å; E344-L377 PolarHBondContact O-N 2.89Å; E344-K379 WeakPolarHBondContact OE1-CE 3.47Å; E344-K379 IonicContact OE1-NZ 3.97Å; E344-K379 PolarHBondContact OE1-NZ 2.72Å
345L96.7Very high94Very high47 Ų4762.1 Ų62.125%0.24635%0.348CS..EExtended strand (participates in β ladder)trans-113.1143.6-171.7-59.8177.7000110.4Q343 S347 Q350 A376 F378Q343-L345 HydrophobicContact CG-CG 4.5Å; L345-S347 PolarHBondContact O-N 3.03Å; L345-Q350 HydrophobicContact CB-CB 4.33Å; L345-Q350 HydrophobicContact CD1-CB 3.72Å; L345-Q350 WeakPolarHBondContact CD1-O 3.44Å; L345-Q350 HydrophobicContact CG-CB 4.46Å; L345-A376 HydrophobicContact CD2-CB 3.57Å; L345-F378 HydrophobicContact CD2-CE1 3.99Å; L345-F378 HydrophobicContact CD2-CZ 4.36Å
346S94.4Very high93.8Very high66 Ų6667 Ų6746%0.46237%0.374SS..SBendtrans-73.5-10.8-178.371.40000114.3Q350 S375S346-Q350 PolarHBondContact OG-NE2 2.79Å; S346-S375 VanDerWaalsContact CB-O 3.25Å; S346-S375 WeakPolarHBondContact CB-O 3.48Å; S346-S375 PolarHBondContact N-O 3.39Å; S346-S375 PolarHBondContact OG-N 2.89Å; S346-S375 PolarHBondContact OG-O 3.02Å
347S91.5Very high93.8Very high33 Ų3367.6 Ų67.623%0.23138%0.384CS..SBendtrans-148.2143.1-179.5171.60000110.5L345 D349 Q350L345-S347 PolarHBondContact O-N 3.03Å; S347-D349 VanDerWaalsContact C-N 3.26Å; S347-D349 PolarHBondContact O-N 2.8Å; S347-D349 PolarHBondContact OG-N 3.19Å; S347-Q350 PolarHBondContact O-N 3.05Å
348P88.2Confident93.8Very high125 Ų12570.8 Ų70.881%0.81239%0.393SS*.THydrogen-bonded Turntrans-69.6-18.8-179.329.6-37.1000114.1Q350P348-Q350 PolarHBondContact O-N 3.3Å
349D90.1Very high93.8Very high124 Ų12475.8 Ų75.866%0.66341%0.41SS*.THydrogen-bonded Turntrans-76.3-10.2-179.9-64.7-30.3000112.7S347 P366S347-D349 VanDerWaalsContact C-N 3.26Å; S347-D349 PolarHBondContact O-N 2.8Å; S347-D349 PolarHBondContact OG-N 3.19Å; D349-P366 WeakPolarHBondContact O-CD 3.39Å; D349-P366 WeakPolarHBondContact O-CG 3.38Å
350Q95.1Very high93.9Very high13 Ų1372.5 Ų72.56%0.06139%0.39CS..  trans-87.4151177.4-61.8169.426.700110.4L345 S346 S347 P348 W363 K364 I365L345-Q350 HydrophobicContact CB-CB 4.33Å; L345-Q350 HydrophobicContact CD1-CB 3.72Å; L345-Q350 WeakPolarHBondContact CD1-O 3.44Å; L345-Q350 HydrophobicContact CG-CB 4.46Å; S346-Q350 PolarHBondContact OG-NE2 2.79Å; S347-Q350 PolarHBondContact O-N 3.05Å; P348-Q350 PolarHBondContact O-N 3.3Å; Q350-W363 VanDerWaalsContact OE1-NE1 3.15Å; Q350-K364 WeakPolarHBondContact CA-O 3.42Å; Q350-I365 HydrophobicContact CG-CG1 4.39Å
351S96.1Very high94.1Very high60 Ų6070.6 Ų70.642%0.4238%0.376SS..EExtended strand (participates in β ladder)trans-141.4147.9168.6630000110.3W363 K364S351-W363 CarbonylContact O-C 3.56Å; S351-K364 PolarHBondContact N-O 3.44Å; S351-K364 VanDerWaalsContact N-O 3.11Å; S351-K364 PolarHBondContact O-N 3.33Å
352A97.2Very high94.2Very high10 Ų1071 Ų718%0.08338%0.376CS..EExtended strand (participates in β ladder)trans-130.9146.8167.500000111.6L341 Q343 V361 F362 W363 F378L341-A352 HydrophobicContact CD2-CB 4.41Å; Q343-A352 PolarHBondContact NE2-O 3.4Å; Q343-A352 PolarHBondContact OE1-O 3.01Å; A352-V361 HydrophobicContact CB-CG1 4.32Å; A352-F362 WeakPolarHBondContact CA-O 3.19Å; A352-W363 HydrophobicContact CB-CB 4.24Å; A352-F378 HydrophobicContact CB-CD1 4.3Å; A352-F378 HydrophobicContact CB-CE1 3.36Å; A352-F378 HydrophobicContact CB-CZ 3.74Å
353E96.3Very high94.3Very high103 Ų10368.2 Ų68.248%0.48136%0.357SS..EExtended strand (participates in β ladder)trans-134.3146.7178.560.7178.9-159.700110.5Q355 V361 F362E353-Q355 HydrophobicContact CG-CG 4.32Å; E353-Q355 PolarHBondContact OE1-NE2 2.88Å; E353-V361 WeakPolarHBondContact O-CA 3.46Å; E353-F362 HydrophobicContact CG-CB 3.94Å; E353-F362 HydrophobicContact CG-CD1 4.45Å; E353-F362 PolarHBondContact N-O 3.08Å; E353-F362 PolarHBondContact O-N 2.94Å
354L96.6Very high94.4Very high35 Ų3569.6 Ų69.618%0.18336%0.362CS..EExtended strand (participates in β ladder)trans-93.2113.6171.9177.261.8000109.1V334 A338 L341 L356 V361 L380V334-L354 HydrophobicContact CG2-CD1 3.79Å; A338-L354 HydrophobicContact CB-CD2 4.39Å; L341-L354 HydrophobicContact CB-CB 3.81Å; L341-L354 HydrophobicContact CB-CD2 4.36Å; L341-L354 HydrophobicContact CD2-CB 4.15Å; L354-L356 HydrophobicContact CD2-CD2 3.71Å; L354-L356 HydrophobicContact CG-CD2 3.94Å; L354-L356 HydrophobicContact CG-CG 4.48Å; L354-L356 PolarHBondContact O-N 2.86Å; L354-V361 HydrophobicContact CD1-CG2 3.96Å; L354-L380 HydrophobicContact CD1-CD2 4.27Å
355Q94.8Very high94.5Very high56 Ų5664.9 Ų64.926%0.26234%0.339SS..EExtended strand (participates in β ladder)trans-92.997174.9-63.5-176.5-10.900109.3E353 Q357 N358 R359 T360 F362E353-Q355 HydrophobicContact CG-CG 4.32Å; E353-Q355 PolarHBondContact OE1-NE2 2.88Å; Q355-Q357 VanDerWaalsContact C-N 3.33Å; Q355-Q357 PolarHBondContact O-N 3.42Å; Q355-N358 HydrophobicContact CB-CB 4.23Å; Q355-N358 CarbonylContact O-C 3.58Å; Q355-N358 PolarHBondContact O-N 3.06Å; Q355-N358 PolarHBondContact OE1-ND2 3.13Å; Q355-R359 WeakPolarHBondContact O-CA 3.43Å; Q355-R359 PolarHBondContact O-N 3.17Å; Q355-T360 PolarHBondContact N-O 3.01Å; Q355-T360 PolarHBondContact O-N 3.21Å; Q355-F362 HydrophobicContact CG-CB 4.46Å
356L90.9Very high94.4Very high105 Ų10565.2 Ų65.255%0.5534%0.344SS..THydrogen-bonded Turntrans-62.9-36.1-176-66.2174.8000113.3A338 L354 N358 R359A338-L356 VanDerWaalsContact O-CD2 3.24Å; A338-L356 WeakPolarHBondContact O-CD2 3.28Å; L354-L356 HydrophobicContact CD2-CD2 3.71Å; L354-L356 HydrophobicContact CG-CD2 3.94Å; L354-L356 HydrophobicContact CG-CG 4.48Å; L354-L356 PolarHBondContact O-N 2.86Å; L356-N358 VanDerWaalsContact C-N 3.33Å; L356-N358 PolarHBondContact O-N 2.77Å; L356-R359 PolarHBondContact O-N 3.02Å
357Q88.8Confident94.4Very high187 Ų18770.5 Ų70.587%0.87435%0.354SS*.THydrogen-bonded Turntrans-62.3-42.8178-65.9178.2200111.4Q355Q355-Q357 VanDerWaalsContact C-N 3.33Å; Q355-Q357 PolarHBondContact O-N 3.42Å
358N89Confident94.6Very high101 Ų10169 Ų6954%0.5434%0.344SS..THydrogen-bonded Turntrans-91.8-3.3-178.6-60.9-16.5000112.8Q355 L356 T360Q355-N358 HydrophobicContact CB-CB 4.23Å; Q355-N358 CarbonylContact O-C 3.58Å; Q355-N358 PolarHBondContact O-N 3.06Å; Q355-N358 PolarHBondContact OE1-ND2 3.13Å; L356-N358 VanDerWaalsContact C-N 3.33Å; L356-N358 PolarHBondContact O-N 2.77Å; N358-T360 PolarHBondContact O-N 3.04Å; N358-T360 PolarHBondContact O-OG1 2.93Å
359R93.6Very high95Very high116 Ų11665.8 Ų65.844%0.43832%0.323SS..THydrogen-bonded Turntrans47.247.3-174.8-57.5174.9179.8151.53.8112.3V334 Q355 L356V334-R359 WeakPolarHBondContact CG2-O 3.04Å; V334-R359 PolarHBondContact N-O 3.08Å; Q355-R359 WeakPolarHBondContact O-CA 3.43Å; Q355-R359 PolarHBondContact O-N 3.17Å; L356-R359 PolarHBondContact O-N 3.02Å
360T96.5Very high95.3Very high20 Ų2060.1 Ų60.112%0.12329%0.294CS..EExtended strand (participates in β ladder)trans-136135.9-170.6-65.50000109.9I332 Q355 N358I332-T360 CarbonylContact O-C 3.53Å; I332-T360 WeakPolarHBondContact O-CA 3.43Å; Q355-T360 PolarHBondContact N-O 3.01Å; Q355-T360 PolarHBondContact O-N 3.21Å; N358-T360 PolarHBondContact O-N 3.04Å; N358-T360 PolarHBondContact O-OG1 2.93Å
361V97.8Very high95.3Very high0 Ų062.2 Ų62.20%032%0.32CS..EExtended strand (participates in β ladder)trans-83.8120.5161.81740000107.7M311 I332 V334 L341 A352 E353 L354 F378 L380M311-V361 HydrophobicContact CE-CG2 4.11Å; I332-V361 HydrophobicContact CB-CB 4.39Å; I332-V361 HydrophobicContact CD1-CG1 4.45Å; I332-V361 WeakPolarHBondContact CD1-O 3.32Å; I332-V361 PolarHBondContact N-O 3.47Å; I332-V361 PolarHBondContact O-N 3.33Å; V334-V361 HydrophobicContact CG1-CB 4.4Å; V334-V361 HydrophobicContact CG1-CG2 3.71Å; V334-V361 HydrophobicContact CG2-CG2 4.47Å; L341-V361 HydrophobicContact CD1-CG2 4.26Å; L341-V361 HydrophobicContact CD2-CG1 4.04Å; L341-V361 HydrophobicContact CD2-CG2 4.33Å; A352-V361 HydrophobicContact CB-CG1 4.32Å; E353-V361 WeakPolarHBondContact O-CA 3.46Å; L354-V361 HydrophobicContact CD1-CG2 3.96Å; V361-F378 HydrophobicContact CG1-CD1 4.36Å; V361-F378 HydrophobicContact CG1-CD2 4.1Å; V361-F378 HydrophobicContact CG1-CE1 4.35Å; V361-F378 HydrophobicContact CG1-CE2 4.06Å; V361-F378 HydrophobicContact CG1-CG 4.25Å; V361-F378 HydrophobicContact CG1-CZ 4.2Å; V361-L380 HydrophobicContact CG2-CD1 4.36Å; V361-L380 HydrophobicContact CG2-CD2 3.9Å
362F97.5Very high95.3Very high51 Ų5162.1 Ų62.122%0.22432%0.317CS..EExtended strand (participates in β ladder)trans-103107.7178.8-171.3-96.4000109.2S329 A352 E353 Q355 K364S329-F362 WeakPolarHBondContact OG-CZ 3.47Å; A352-F362 WeakPolarHBondContact CA-O 3.19Å; E353-F362 HydrophobicContact CG-CB 3.94Å; E353-F362 HydrophobicContact CG-CD1 4.45Å; E353-F362 PolarHBondContact N-O 3.08Å; E353-F362 PolarHBondContact O-N 2.94Å; Q355-F362 HydrophobicContact CG-CB 4.46Å; F362-K364 HydrophobicContact CE1-CB 4.27Å
363W97.8Very high95.3Very high1 Ų166.7 Ų66.70%0.00434%0.336CS..EExtended strand (participates in β ladder)trans-101.2112.9179.4178.230.6000110.3L313 L315 S329 A330 I332 Q350 S351 A352 I365 L374 A376 F378L313-W363 HydrophobicContact CB-CZ3 4.34Å; L315-W363 HydrophobicContact CB-CH2 4.04Å; L315-W363 HydrophobicContact CB-CZ3 4.03Å; L315-W363 HydrophobicContact CD2-CZ3 4.4Å; S329-W363 CarbonylContact C-O 3.59Å; S329-W363 WeakPolarHBondContact CA-O 3.32Å; A330-W363 HydrophobicContact CB-CB 4.28Å; A330-W363 HydrophobicContact CB-CE3 4.02Å; A330-W363 PolarHBondContact N-O 3.08Å; A330-W363 PolarHBondContact O-N 3.4Å; I332-W363 HydrophobicContact CD1-CB 4.34Å; Q350-W363 VanDerWaalsContact OE1-NE1 3.15Å; S351-W363 CarbonylContact O-C 3.56Å; A352-W363 HydrophobicContact CB-CB 4.24Å; W363-I365 HydrophobicContact CD2-CD1 3.96Å; W363-I365 HydrophobicContact CD2-CG1 4.21Å; W363-I365 HydrophobicContact CE3-CD1 4.24Å; W363-I365 HydrophobicContact CG-CG1 4.46Å; W363-I365 HydrophobicContact CH2-CD1 3.8Å; W363-I365 HydrophobicContact CZ2-CD1 3.46Å; W363-I365 VanDerWaalsContact CZ2-CD1 3.46Å; W363-I365 HydrophobicContact CZ2-CG1 4.22Å; W363-I365 HydrophobicContact CZ3-CD1 4.17Å; W363-L374 HydrophobicContact CH2-CB 4.47Å; W363-L374 HydrophobicContact CZ2-CB 4.39Å; W363-A376 HydrophobicContact CD2-CB 4.21Å; W363-A376 HydrophobicContact CE3-CB 4.42Å; W363-A376 HydrophobicContact CH2-CB 3.95Å; W363-A376 HydrophobicContact CZ2-CB 3.69Å; W363-A376 HydrophobicContact CZ3-CB 4.3Å; W363-F378 HydrophobicContact CB-CE2 4.38Å; W363-F378 HydrophobicContact CB-CZ 3.88Å; W363-F378 HydrophobicContact CD2-CZ 4.14Å; W363-F378 AromaticContact CG-CZ 3.82Å; W363-F378 HydrophobicContact CG-CZ 3.82Å
364K97.8Very high95.4Very high107 Ų10763 Ų6347%0.46532%0.319SS..EExtended strand (participates in β ladder)trans-97.1129.2-178.2-169175.7-176.6176.20111.1Q350 S351 F362Q350-K364 WeakPolarHBondContact CA-O 3.42Å; S351-K364 PolarHBondContact N-O 3.44Å; S351-K364 VanDerWaalsContact N-O 3.11Å; S351-K364 PolarHBondContact O-N 3.33Å; F362-K364 HydrophobicContact CE1-CB 4.27Å
365I97.3Very high95.4Very high2 Ų262.3 Ų62.31%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-12892.5177.9-49.7-171.6000107.8L315 L328 Q350 W363 R367 F368 L374L315-I365 HydrophobicContact CD2-CD1 4.08Å; L328-I365 HydrophobicContact CB-CB 4.28Å; L328-I365 HydrophobicContact CD2-CB 3.87Å; L328-I365 HydrophobicContact CD2-CD1 3.75Å; L328-I365 HydrophobicContact CD2-CG1 3.94Å; L328-I365 PolarHBondContact N-O 3.32Å; L328-I365 CarbonylContact O-C 3.39Å; L328-I365 WeakPolarHBondContact O-CA 3.41Å; L328-I365 PolarHBondContact O-N 3.25Å; L328-I365 VanDerWaalsContact O-O 3.05Å; Q350-I365 HydrophobicContact CG-CG1 4.39Å; W363-I365 HydrophobicContact CD2-CD1 3.96Å; W363-I365 HydrophobicContact CD2-CG1 4.21Å; W363-I365 HydrophobicContact CE3-CD1 4.24Å; W363-I365 HydrophobicContact CG-CG1 4.46Å; W363-I365 HydrophobicContact CH2-CD1 3.8Å; W363-I365 HydrophobicContact CZ2-CD1 3.46Å; W363-I365 VanDerWaalsContact CZ2-CD1 3.46Å; W363-I365 HydrophobicContact CZ2-CG1 4.22Å; W363-I365 HydrophobicContact CZ3-CD1 4.17Å; I365-R367 PolarHBondContact O-N 3.37Å; I365-F368 HydrophobicContact CG2-CB 4.06Å; I365-F368 HydrophobicContact CG2-CG 4.44Å; I365-L374 HydrophobicContact CD1-CD1 4.04Å; I365-L374 HydrophobicContact CG2-CD1 3.59Å
366P94.5Very high95.6Very high54 Ų5459.6 Ų59.635%0.35131%0.305SS..EExtended strand (participates in β ladder)trans-57.9-34.4-174.6-26.735.2000113.8I326 N327 D349I326-P366 WeakPolarHBondContact CA-O 3.31Å; N327-P366 PolarHBondContact N-O 3.38Å; D349-P366 WeakPolarHBondContact O-CD 3.39Å; D349-P366 WeakPolarHBondContact O-CG 3.38Å
367R94.9Very high95.9Very high178 Ų17856.3 Ų56.367%0.67229%0.288SS*.EExtended strand (participates in β ladder)trans-145.1133.9-178.5-172.8176.3-70.3176.21.1110.6T324 A325 I365T324-R367 HydrophobicContact CG2-CG 3.32Å; A325-R367 WeakPolarHBondContact O-CA 3.49Å; I365-R367 PolarHBondContact O-N 3.37Å
368F96.4Very high96.3Very high2 Ų247.4 Ų47.41%0.00925%0.246CC..EExtended strand (participates in β ladder)trans-138.1110.2178.2-164.1-177.9000111.4F295 L315 C317 A325 L328 I365 T372 L374F295-F368 HydrophobicContact CD1-CD1 4.23Å; F295-F368 HydrophobicContact CD1-CE1 4.14Å; F295-F368 AromaticContact CE1-CD1 3.85Å; F295-F368 HydrophobicContact CE1-CD1 3.85Å; F295-F368 HydrophobicContact CE1-CE1 4.21Å; L315-F368 HydrophobicContact CB-CE1 4.34Å; L315-F368 HydrophobicContact CD2-CD1 4.23Å; L315-F368 HydrophobicContact CD2-CE1 3.67Å; L315-F368 HydrophobicContact CG-CE1 3.8Å; L315-F368 HydrophobicContact CG-CZ 4.49Å; L315-F368 WeakPolarHBondContact O-CZ 3.49Å; C317-F368 HydrophobicContact CB-CD1 4.02Å; C317-F368 HydrophobicContact CB-CD2 3.85Å; C317-F368 HydrophobicContact CB-CE1 3.76Å; C317-F368 HydrophobicContact CB-CE2 3.59Å; C317-F368 HydrophobicContact CB-CG 4.06Å; C317-F368 HydrophobicContact CB-CZ 3.54Å; A325-F368 HydrophobicContact CB-CB 4.35Å; A325-F368 PolarHBondContact N-O 3.14Å; A325-F368 PolarHBondContact O-N 2.72Å; L328-F368 HydrophobicContact CD1-CD1 4.18Å; I365-F368 HydrophobicContact CG2-CB 4.06Å; I365-F368 HydrophobicContact CG2-CG 4.44Å; F368-T372 WeakPolarHBondContact CD2-OG1 3.46Å; F368-T372 VanDerWaalsContact CE2-OG1 3.28Å; F368-T372 WeakPolarHBondContact CE2-OG1 3.32Å; F368-L374 HydrophobicContact CD1-CD1 4.39Å; F368-L374 HydrophobicContact CD2-CD1 3.74Å; F368-L374 HydrophobicContact CD2-CG 4.05Å; F368-L374 HydrophobicContact CE1-CD1 4.48Å; F368-L374 HydrophobicContact CE2-CB 4.42Å; F368-L374 HydrophobicContact CE2-CD1 3.83Å; F368-L374 HydrophobicContact CE2-CG 3.66Å; F368-L374 HydrophobicContact CG-CD1 4.04Å; F368-L374 HydrophobicContact CZ-CB 4.34Å; F368-L374 HydrophobicContact CZ-CD1 4.21Å; F368-L374 HydrophobicContact CZ-CG 4.05Å
369C96.1Very high96.6Very high56 Ų5644.6 Ų44.638%0.37823%0.229SC..EExtended strand (participates in β ladder)trans-73.6141.1-177-60.60000112C317 T372C317-C369 WeakPolarHBondContact CB-O 3.4Å; C369-T372 HydrophobicContact CB-CG2 3.92Å; C369-T372 PolarHBondContact O-N 3.33Å; C369-T372 PolarHBondContact O-OG1 3.41Å
370G96.3Very high96.8Very high5 Ų539.1 Ų39.15%0.05221%0.209CC..THydrogen-bonded Turntrans-60.2147174.100000112.8L319 P321 S323 T372L319-G370 CarbonylContact O-C 3.59Å; L319-G370 VanDerWaalsContact O-CA 3.23Å; L319-G370 WeakPolarHBondContact O-CA 3.29Å; P321-G370 WeakPolarHBondContact CA-O 3.44Å; S323-G370 PolarHBondContact O-N 2.87Å; G370-T372 PolarHBondContact O-N 3.07Å
371G95.4Very high96.7Very high58 Ų5841.3 Ų41.360%0.59822%0.22SC*.THydrogen-bonded Turntrans71.55.8-177.700000115C317 L319C317-G371 WeakPolarHBondContact O-CA 3.44Å; C317-G371 PolarHBondContact O-N 2.92Å; L319-G371 PolarHBondContact O-N 3.13Å
372T96.7Very high96.5Very high58 Ų5841.8 Ų41.836%0.35622%0.223SC..  trans-107.5168.8179.272.20000112C317 F368 C369 G370C317-T372 PolarHBondContact N-O 3.27Å; F368-T372 WeakPolarHBondContact CD2-OG1 3.46Å; F368-T372 VanDerWaalsContact CE2-OG1 3.28Å; F368-T372 WeakPolarHBondContact CE2-OG1 3.32Å; C369-T372 HydrophobicContact CB-CG2 3.92Å; C369-T372 PolarHBondContact O-N 3.33Å; C369-T372 PolarHBondContact O-OG1 3.41Å; G370-T372 PolarHBondContact O-N 3.07Å
373Q96.9Very high96.2Very high105 Ų10544 Ų4449%0.49124%0.242SC..EExtended strand (participates in β ladder)trans-133.8144.117767.3-171.28.400109.6L315 R316L315-Q373 CarbonylContact O-C 3.6Å; L315-Q373 VanDerWaalsContact O-CA 3.32Å; L315-Q373 WeakPolarHBondContact O-CA 3.46Å; R316-Q373 HydrophobicContact CG-CB 4.44Å
374L97.3Very high95.6Very high25 Ų2547.4 Ų47.413%0.13128%0.277CS..EExtended strand (participates in β ladder)trans-122.8153.7174.6-63.3175.4000108.8K314 L315 W363 I365 F368K314-L374 CarbonylContact C-O 3.58Å; K314-L374 WeakPolarHBondContact CA-O 3.28Å; L315-L374 PolarHBondContact N-O 3.3Å; L315-L374 PolarHBondContact O-N 3.11Å; W363-L374 HydrophobicContact CH2-CB 4.47Å; W363-L374 HydrophobicContact CZ2-CB 4.39Å; I365-L374 HydrophobicContact CD1-CD1 4.04Å; I365-L374 HydrophobicContact CG2-CD1 3.59Å; F368-L374 HydrophobicContact CD1-CD1 4.39Å; F368-L374 HydrophobicContact CD2-CD1 3.74Å; F368-L374 HydrophobicContact CD2-CG 4.05Å; F368-L374 HydrophobicContact CE1-CD1 4.48Å; F368-L374 HydrophobicContact CE2-CB 4.42Å; F368-L374 HydrophobicContact CE2-CD1 3.83Å; F368-L374 HydrophobicContact CE2-CG 3.66Å; F368-L374 HydrophobicContact CG-CD1 4.04Å; F368-L374 HydrophobicContact CZ-CB 4.34Å; F368-L374 HydrophobicContact CZ-CD1 4.21Å; F368-L374 HydrophobicContact CZ-CG 4.05Å
375S97.3Very high95.3Very high21 Ų2142.5 Ų42.515%0.14726%0.256CS..EExtended strand (participates in β ladder)trans-136.5141.9-179.5-56.60000110.6L313 S346L313-S375 CarbonylContact O-C 3.57Å; L313-S375 VanDerWaalsContact O-CA 3.28Å; L313-S375 WeakPolarHBondContact O-CA 3.15Å; S346-S375 VanDerWaalsContact CB-O 3.25Å; S346-S375 WeakPolarHBondContact CB-O 3.48Å; S346-S375 PolarHBondContact N-O 3.39Å; S346-S375 PolarHBondContact OG-N 2.89Å; S346-S375 PolarHBondContact OG-O 3.02Å
376A97.8Very high95Very high0 Ų044.9 Ų44.90%027%0.273CS..EExtended strand (participates in β ladder)trans-134.4135.2176.500000109.2L313 E344 L345 W363 F378L313-A376 PolarHBondContact N-O 3.18Å; L313-A376 PolarHBondContact O-N 3.5Å; E344-A376 CarbonylContact O-C 3.55Å; E344-A376 WeakPolarHBondContact O-CA 3.17Å; L345-A376 HydrophobicContact CD2-CB 3.57Å; W363-A376 HydrophobicContact CD2-CB 4.21Å; W363-A376 HydrophobicContact CE3-CB 4.42Å; W363-A376 HydrophobicContact CH2-CB 3.95Å; W363-A376 HydrophobicContact CZ2-CB 3.69Å; W363-A376 HydrophobicContact CZ3-CB 4.3Å; A376-F378 HydrophobicContact CB-CE1 4.01Å; A376-F378 HydrophobicContact CB-CE2 3.91Å; A376-F378 HydrophobicContact CB-CZ 3.55Å
377L97.6Very high94.7Very high35 Ų3547.4 Ų47.418%0.18329%0.292CS..EExtended strand (participates in β ladder)trans-111.5118.2167.7174.963.2000108.4M311 Y312 Q343 E344 K379M311-L377 WeakPolarHBondContact O-CA 3.41Å; Y312-L377 HydrophobicContact CD2-CB 4.32Å; Y312-L377 HydrophobicContact CD2-CD1 4.5Å; Q343-L377 CarbonylContact C-O 3.59Å; Q343-L377 WeakPolarHBondContact CA-O 3.48Å; E344-L377 HydrophobicContact CB-CB 4.23Å; E344-L377 PolarHBondContact N-O 2.83Å; E344-L377 PolarHBondContact O-N 2.89Å; L377-K379 VanDerWaalsContact CD2-CE 3.45Å; L377-K379 HydrophobicContact CG-CG 4.3Å
378F97.5Very high94.4Very high0 Ų042 Ų420%029%0.285CS..EExtended strand (participates in β ladder)trans-106.2126.3175.2-58.6-50.4000109.8L310 M311 L313 I332 L341 Q343 L345 A352 V361 W363 A376 L380L310-F378 WeakPolarHBondContact CA-O 3.46Å; M311-F378 HydrophobicContact CB-CB 4.31Å; M311-F378 HydrophobicContact CE-CB 3.93Å; M311-F378 HydrophobicContact CE-CD2 4.16Å; M311-F378 HydrophobicContact CE-CG 4.45Å; M311-F378 PolarHBondContact N-O 2.85Å; M311-F378 PolarHBondContact O-N 3.23Å; L313-F378 HydrophobicContact CD1-CD2 4.13Å; L313-F378 HydrophobicContact CD1-CE2 3.87Å; I332-F378 HydrophobicContact CD1-CE2 4.33Å; L341-F378 HydrophobicContact CD1-CB 3.75Å; L341-F378 HydrophobicContact CD1-CD1 3.96Å; L341-F378 HydrophobicContact CD1-CG 4.15Å; Q343-F378 HydrophobicContact CB-CD1 3.96Å; Q343-F378 HydrophobicContact CB-CE1 4.11Å; L345-F378 HydrophobicContact CD2-CE1 3.99Å; L345-F378 HydrophobicContact CD2-CZ 4.36Å; A352-F378 HydrophobicContact CB-CD1 4.3Å; A352-F378 HydrophobicContact CB-CE1 3.36Å; A352-F378 HydrophobicContact CB-CZ 3.74Å; V361-F378 HydrophobicContact CG1-CD1 4.36Å; V361-F378 HydrophobicContact CG1-CD2 4.1Å; V361-F378 HydrophobicContact CG1-CE1 4.35Å; V361-F378 HydrophobicContact CG1-CE2 4.06Å; V361-F378 HydrophobicContact CG1-CG 4.25Å; V361-F378 HydrophobicContact CG1-CZ 4.2Å; W363-F378 HydrophobicContact CB-CE2 4.38Å; W363-F378 HydrophobicContact CB-CZ 3.88Å; W363-F378 HydrophobicContact CD2-CZ 4.14Å; W363-F378 AromaticContact CG-CZ 3.82Å; W363-F378 HydrophobicContact CG-CZ 3.82Å; A376-F378 HydrophobicContact CB-CE1 4.01Å; A376-F378 HydrophobicContact CB-CE2 3.91Å; A376-F378 HydrophobicContact CB-CZ 3.55Å; F378-L380 HydrophobicContact CB-CD1 3.89Å
379K96.6Very high94.1Very high43 Ų4343 Ų4319%0.18729%0.293CS..EExtended strand (participates in β ladder)trans-113.4109.7176.9-48.5-177.8172.3162.80107.4L309 L310 S342 E344 L377L309-K379 WeakPolarHBondContact O-CA 3.36Å; L310-K379 HydrophobicContact CD2-CB 3.97Å; L310-K379 HydrophobicContact CD2-CD 4.17Å; L310-K379 HydrophobicContact CD2-CG 3.6Å; S342-K379 PolarHBondContact N-O 3.05Å; S342-K379 PolarHBondContact O-N 3.37Å; E344-K379 WeakPolarHBondContact OE1-CE 3.47Å; E344-K379 IonicContact OE1-NZ 3.97Å; E344-K379 PolarHBondContact OE1-NZ 2.72Å; L377-K379 VanDerWaalsContact CD2-CE 3.45Å; L377-K379 HydrophobicContact CG-CG 4.3Å
380L96.3Very high93.7Very high0 Ų042.6 Ų42.60%029%0.286CS..EExtended strand (participates in β ladder)trans-107.7132.1-178.8-70.488.3000110.7R308 L309 M311 V334 A338 S340 L341 L354 V361 F378 V382R308-L380 WeakPolarHBondContact CB-O 3.39Å; L309-L380 HydrophobicContact CB-CB 4.21Å; L309-L380 HydrophobicContact CD2-CB 4.49Å; L309-L380 PolarHBondContact N-O 3.34Å; L309-L380 PolarHBondContact O-N 3.03Å; M311-L380 HydrophobicContact CE-CD1 3.36Å; V334-L380 HydrophobicContact CB-CD2 3.95Å; V334-L380 HydrophobicContact CG1-CD2 3.77Å; V334-L380 HydrophobicContact CG2-CD2 4.06Å; A338-L380 HydrophobicContact CB-CD2 3.97Å; S340-L380 WeakPolarHBondContact O-CA 3.42Å; L341-L380 HydrophobicContact CD1-CD1 3.82Å; L341-L380 HydrophobicContact CD1-CG 3.94Å; L354-L380 HydrophobicContact CD1-CD2 4.27Å; V361-L380 HydrophobicContact CG2-CD1 4.36Å; V361-L380 HydrophobicContact CG2-CD2 3.9Å; F378-L380 HydrophobicContact CB-CD1 3.89Å; L380-V382 HydrophobicContact CB-CG2 4.24Å
381D94.6Very high93.4Very high67 Ų6749.6 Ų49.636%0.35832%0.321SS..EExtended strand (participates in β ladder)trans-82.4119.5167.4-62-36.1000108.5R308 V339 S340R308-D381 WeakPolarHBondContact CD-OD1 3.21Å; R308-D381 VanDerWaalsContact CG-OD1 3.26Å; R308-D381 WeakPolarHBondContact CG-OD1 3.47Å; V339-D381 HydrophobicContact CG2-CB 3.86Å; V339-D381 WeakPolarHBondContact CG2-O 3.42Å; V339-D381 PolarHBondContact N-O 2.83Å; S340-D381 PolarHBondContact O-N 2.76Å; S340-D381 VanDerWaalsContact OG-CB 3.28Å; S340-D381 WeakPolarHBondContact OG-CB 3.36Å; S340-D381 PolarHBondContact OG-OD2 2.78Å
382V93.3Very high93.2Very high10 Ų1050.5 Ų50.56%0.06131%0.31CS..  trans-13097178.4-1760000107.2L309 P335 A338 L380 G384 L385L309-V382 HydrophobicContact CB-CG2 4.21Å; P335-V382 HydrophobicContact CB-CG1 4.28Å; A338-V382 HydrophobicContact CB-CG2 4.18Å; L380-V382 HydrophobicContact CB-CG2 4.24Å; V382-G384 PolarHBondContact O-N 2.83Å; V382-L385 HydrophobicContact CB-CB 4.18Å; V382-L385 HydrophobicContact CB-CD1 3.98Å; V382-L385 HydrophobicContact CG1-CB 4.31Å; V382-L385 HydrophobicContact CG1-CD1 3.89Å; V382-L385 HydrophobicContact CG2-CD1 4.34Å; V382-L385 WeakPolarHBondContact O-CB 3.32Å; V382-L385 PolarHBondContact O-N 2.91Å; V382-L385 VanDerWaalsContact O-N 3.12Å
383P91Very high93.1Very high96 Ų9648.4 Ų48.462%0.62330%0.297SS*.THydrogen-bonded Turntrans-56.8127.5178.1-25.736.2000110.9G337 V339G337-P383 WeakPolarHBondContact O-CD 3.46Å; V339-P383 HydrophobicContact CG1-CG 4.37Å; V339-P383 HydrophobicContact CG2-CG 4.42Å
384G87.1Confident92.9Very high73 Ų7344.1 Ų44.175%0.75328%0.281SS*.THydrogen-bonded Turntrans71.827.8-178.700000114.6V382 S386V382-G384 PolarHBondContact O-N 2.83Å; G384-S386 PolarHBondContact O-N 3.05Å
385L90.9Very high92.8Very high5 Ų545.8 Ų45.83%0.02629%0.294CS..  trans-49.2110.6177.4-17466.4000111.7R303 G307 L309 V382 M390R303-L385 HydrophobicContact CB-CD2 4.39Å; R303-L385 HydrophobicContact CG-CD2 3.97Å; R303-L385 PolarHBondContact NH1-O 2.92Å; G307-L385 WeakPolarHBondContact O-CD2 3.44Å; L309-L385 HydrophobicContact CB-CD1 4.44Å; L309-L385 HydrophobicContact CB-CD2 3.96Å; V382-L385 HydrophobicContact CB-CB 4.18Å; V382-L385 HydrophobicContact CB-CD1 3.98Å; V382-L385 HydrophobicContact CG1-CB 4.31Å; V382-L385 HydrophobicContact CG1-CD1 3.89Å; V382-L385 HydrophobicContact CG2-CD1 4.34Å; V382-L385 WeakPolarHBondContact O-CB 3.32Å; V382-L385 PolarHBondContact O-N 2.91Å; V382-L385 VanDerWaalsContact O-N 3.12Å; L385-M390 HydrophobicContact CD1-SD 4.01Å; L385-M390 HydrophobicContact CD2-SD 4.09Å; L385-M390 HydrophobicContact CG-SD 4.24Å
386S90.1Very high92.9Very high51 Ų5144.9 Ų44.936%0.35729%0.287SS..  trans-108.2165.5-179.274.10000111G384 A388 S389 M390G384-S386 PolarHBondContact O-N 3.05Å; S386-A388 PolarHBondContact O-N 2.86Å; S386-A388 PolarHBondContact OG-N 2.89Å; S386-S389 PolarHBondContact N-OG 2.73Å; S386-S389 WeakPolarHBondContact O-CB 3.42Å; S386-S389 PolarHBondContact O-N 3.11Å; S386-S389 VanDerWaalsContact O-N 3.09Å; S386-S389 PolarHBondContact OG-N 2.8Å; S386-S389 VanDerWaalsContact OG-N 3.11Å; S386-S389 PolarHBondContact OG-OG 2.82Å; S386-M390 PolarHBondContact O-N 3.34Å
387S88.9Confident92.9Very high107 Ų10745.6 Ų45.675%0.74830%0.295SS*.Hα-helixtrans-59.7-31.5172.4-55.50000112.5M390S387-M390 PolarHBondContact O-N 2.83Å
388A89.4Confident92.9Very high65 Ų6544.4 Ų44.454%0.53729%0.288SS..Hα-helixtrans-68.2-39.3174.700000111.6S386 M390 L391S386-A388 PolarHBondContact O-N 2.86Å; S386-A388 PolarHBondContact OG-N 2.89Å; A388-M390 VanDerWaalsContact C-N 3.27Å; A388-M390 PolarHBondContact O-N 3.33Å; A388-L391 WeakPolarHBondContact O-CB 3.25Å; A388-L391 PolarHBondContact O-N 3.02Å; A388-L391 VanDerWaalsContact O-N 3.14Å
389S88.6Confident92.9Very high23 Ų2347.3 Ų47.316%0.16131%0.309CS..Hα-helixtrans-61.6-35.8175.7-51.80000111.9P335 S386 L391 E392P335-S389 VanDerWaalsContact CG-O 3.27Å; P335-S389 WeakPolarHBondContact CG-O 3.28Å; S386-S389 PolarHBondContact N-OG 2.73Å; S386-S389 WeakPolarHBondContact O-CB 3.42Å; S386-S389 PolarHBondContact O-N 3.11Å; S386-S389 VanDerWaalsContact O-N 3.09Å; S386-S389 PolarHBondContact OG-N 2.8Å; S386-S389 VanDerWaalsContact OG-N 3.11Å; S386-S389 PolarHBondContact OG-OG 2.82Å; S389-L391 PolarHBondContact O-N 3.23Å; S389-E392 WeakPolarHBondContact O-CB 3.1Å; S389-E392 PolarHBondContact O-N 3.35Å; S389-E392 VanDerWaalsContact O-N 3.07Å
390M89.1Confident92.9Very high47 Ų4745.5 Ų45.523%0.23230%0.301CS..Hα-helixtrans-61.9-28.7177.2-62.6-70.1-73.700112.8V301 L309 L385 S386 S387 A388 E392 V393V301-M390 HydrophobicContact CG1-CE 3.72Å; L309-M390 HydrophobicContact CD1-CE 3.87Å; L309-M390 HydrophobicContact CD1-SD 3.58Å; L309-M390 VanDerWaalsContact CD1-SD 3.58Å; L385-M390 HydrophobicContact CD1-SD 4.01Å; L385-M390 HydrophobicContact CD2-SD 4.09Å; L385-M390 HydrophobicContact CG-SD 4.24Å; S386-M390 PolarHBondContact O-N 3.34Å; S387-M390 PolarHBondContact O-N 2.83Å; A388-M390 VanDerWaalsContact C-N 3.27Å; A388-M390 PolarHBondContact O-N 3.33Å; M390-E392 PolarHBondContact O-N 3.38Å; M390-V393 WeakPolarHBondContact O-CB 3.4Å; M390-V393 PolarHBondContact O-N 3.29Å
391L90.2Very high93Very high152 Ų15247.9 Ų47.980%0.79631%0.312SS*.THydrogen-bonded Turntrans-72.7-11.8177.5-59.5175000113.1A388 S389 V393A388-L391 WeakPolarHBondContact O-CB 3.25Å; A388-L391 PolarHBondContact O-N 3.02Å; A388-L391 VanDerWaalsContact O-N 3.14Å; S389-L391 PolarHBondContact O-N 3.23Å; L391-V393 VanDerWaalsContact C-N 3.28Å
392E91.2Very high93.1Very high77 Ų7744.7 Ų44.736%0.3630%0.295SS..THydrogen-bonded Turntrans-82.4-7.1175.3-57.2-175.6176.200112.6P335 R336 S389 M390P335-E392 WeakPolarHBondContact CA-OE2 3.36Å; P335-E392 HydrophobicContact CB-CB 4.39Å; R336-E392 WeakPolarHBondContact CG-OE2 3.34Å; R336-E392 PolarHBondContact N-OE2 3.49Å; S389-E392 WeakPolarHBondContact O-CB 3.1Å; S389-E392 PolarHBondContact O-N 3.35Å; S389-E392 VanDerWaalsContact O-N 3.07Å; M390-E392 PolarHBondContact O-N 3.38Å
393V94.6Very high93.1Very high14 Ų1446.3 Ų46.39%0.08531%0.305CS..SBendtrans-78.6127.8-179.7179.70000110.1V301 L309 M311 P333 P335 M390 L391 I442V301-V393 HydrophobicContact CG1-CB 4.5Å; V301-V393 HydrophobicContact CG1-CG1 4.17Å; V301-V393 HydrophobicContact CG1-CG2 4.37Å; V301-V393 HydrophobicContact CG2-CG1 4.18Å; L309-V393 HydrophobicContact CD1-CG2 4.27Å; L309-V393 HydrophobicContact CD2-CG2 3.83Å; M311-V393 HydrophobicContact SD-CG1 3.69Å; P333-V393 WeakPolarHBondContact O-CA 3.27Å; P335-V393 HydrophobicContact CG-CG2 4.01Å; M390-V393 WeakPolarHBondContact O-CB 3.4Å; M390-V393 PolarHBondContact O-N 3.29Å; L391-V393 VanDerWaalsContact C-N 3.28Å; V393-I442 HydrophobicContact CG1-CD1 3.69Å
394G92.3Very high93.2Very high15 Ų1550.6 Ų50.616%0.15531%0.314CS..  trans81.3-173.9179.400000114.5P333P333-G394 PolarHBondContact O-N 3.02Å
395P95.6Very high93.5Very high61 Ų6148.6 Ų48.640%0.39628%0.284SS..PPolyproline II helixcis-67.6159.7-633.2-38.1000112P333 I439 I440 R441P333-P395 WeakPolarHBondContact CD-O 3.16Å; P395-I439 HydrophobicContact CB-CG2 3.59Å; P395-I439 HydrophobicContact CG-CG2 3.74Å; P395-I440 WeakPolarHBondContact CB-O 3.47Å; P395-R441 HydrophobicContact CB-CG 4.31Å
396V97.9Very high93.6Very high1 Ų149.2 Ų49.21%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-81.8123177.4178.60000110L297 A330 S331 I332 L398 I439 I440 I442L297-V396 HydrophobicContact CD2-CB 3.84Å; L297-V396 HydrophobicContact CD2-CG1 4.02Å; L297-V396 HydrophobicContact CD2-CG2 3.66Å; A330-V396 HydrophobicContact CB-CG1 4.09Å; S331-V396 WeakPolarHBondContact O-CA 3.41Å; I332-V396 HydrophobicContact CB-CG2 4.41Å; I332-V396 HydrophobicContact CG1-CB 4.44Å; I332-V396 HydrophobicContact CG1-CG1 4.04Å; I332-V396 HydrophobicContact CG1-CG2 3.75Å; I332-V396 HydrophobicContact CG2-CG2 4.2Å; V396-L398 HydrophobicContact CG1-CD2 4.05Å; V396-I439 WeakPolarHBondContact O-CA 3.26Å; V396-I440 PolarHBondContact N-O 3.38Å; V396-I440 PolarHBondContact O-N 2.81Å; V396-I442 HydrophobicContact CG2-CD1 3.77Å; V396-I442 HydrophobicContact CG2-CG1 4.35Å; V396-I442 HydrophobicContact CG2-CG2 3.78Å
397G97.8Very high93.7Very high16 Ų1646.9 Ų46.917%0.16527%0.272CS..EExtended strand (participates in β ladder)trans-93.9134.317000000111.3A330 S331 Y438A330-G397 CarbonylContact C-O 3.56Å; A330-G397 WeakPolarHBondContact CA-O 3.33Å; S331-G397 PolarHBondContact N-O 3.15Å; S331-G397 PolarHBondContact O-N 3.1Å; G397-Y438 CarbonylContact C-O 3.56Å; G397-Y438 WeakPolarHBondContact CA-O 3.03Å
398L97.9Very high93.8Very high10 Ų1041.9 Ų41.95%0.05224%0.237CC..EExtended strand (participates in β ladder)trans-109133.6172.1-57.1-176000110.6F295 L315 S329 A330 V396 F400 Y438 I440F295-L398 HydrophobicContact CB-CD1 3.83Å; F295-L398 HydrophobicContact CD2-CD1 4.28Å; F295-L398 HydrophobicContact CG-CD1 4.19Å; L315-L398 HydrophobicContact CD1-CD1 4.08Å; S329-L398 WeakPolarHBondContact O-CA 3.33Å; A330-L398 HydrophobicContact CB-CD2 3.5Å; A330-L398 VanDerWaalsContact CB-CD2 3.5Å; V396-L398 HydrophobicContact CG1-CD2 4.05Å; L398-F400 HydrophobicContact CB-CD1 4.12Å; L398-F400 HydrophobicContact CB-CE1 4.35Å; L398-Y438 HydrophobicContact CB-CD1 3.89Å; L398-Y438 HydrophobicContact CB-CG 4.25Å; L398-Y438 HydrophobicContact CD1-CD1 3.68Å; L398-Y438 HydrophobicContact CD1-CE1 3.77Å; L398-Y438 HydrophobicContact CG-CD1 3.95Å; L398-Y438 PolarHBondContact N-O 3.47Å; L398-Y438 WeakPolarHBondContact O-CB 3.2Å; L398-I440 HydrophobicContact CD1-CD1 4Å
399S97.8Very high93.9Very high61 Ų6140 Ų4043%0.42722%0.224SC..EExtended strand (participates in β ladder)trans-115.8133.1167.1174.90000108.8L328 S329 S435L328-S399 CarbonylContact C-O 3.56Å; L328-S399 WeakPolarHBondContact CA-O 3.45Å; S329-S399 PolarHBondContact N-O 3.37Å; S329-S399 PolarHBondContact O-N 3.08Å; S399-S435 VanDerWaalsContact CA-OG 3.23Å; S399-S435 WeakPolarHBondContact CA-OG 3.42Å
400F97.1Very high94.2Very high5 Ų538.9 Ų38.92%0.02222%0.216CC..EExtended strand (participates in β ladder)trans-161165.7-177.657.6-101.4000113.4P294 F295 L328 L398 L402 S435 Y438P294-F400 HydrophobicContact CG-CE2 4.41Å; P294-F400 HydrophobicContact CG-CZ 4.05Å; F295-F400 AromaticContact CD2-CD1 3.83Å; F295-F400 HydrophobicContact CD2-CD1 3.83Å; F295-F400 AromaticContact CD2-CE1 3.66Å; F295-F400 HydrophobicContact CD2-CE1 3.66Å; F295-F400 HydrophobicContact CD2-CG 4.42Å; F295-F400 HydrophobicContact CD2-CZ 4.11Å; F295-F400 HydrophobicContact CE2-CB 4.27Å; F295-F400 AromaticContact CE2-CD1 3.46Å; F295-F400 HydrophobicContact CE2-CD1 3.46Å; F295-F400 VanDerWaalsContact CE2-CD1 3.46Å; F295-F400 AromaticContact CE2-CD2 3.86Å; F295-F400 HydrophobicContact CE2-CD2 3.86Å; F295-F400 AromaticContact CE2-CE1 3.59Å; F295-F400 HydrophobicContact CE2-CE1 3.59Å; F295-F400 AromaticContact CE2-CE2 3.99Å; F295-F400 HydrophobicContact CE2-CE2 3.99Å; F295-F400 AromaticContact CE2-CG 3.59Å; F295-F400 HydrophobicContact CE2-CG 3.59Å; F295-F400 AromaticContact CE2-CZ 3.87Å; F295-F400 HydrophobicContact CE2-CZ 3.87Å; F295-F400 HydrophobicContact CZ-CD1 4.46Å; F295-F400 HydrophobicContact CZ-CG 4.31Å; L328-F400 HydrophobicContact CB-CB 4.11Å; L328-F400 HydrophobicContact CD1-CB 3.98Å; L328-F400 HydrophobicContact CG-CB 4.07Å; L398-F400 HydrophobicContact CB-CD1 4.12Å; L398-F400 HydrophobicContact CB-CE1 4.35Å; F400-L402 HydrophobicContact CD2-CD1 4.18Å; F400-L402 HydrophobicContact CD2-CD2 3.78Å; F400-L402 HydrophobicContact CD2-CG 3.65Å; F400-L402 HydrophobicContact CE2-CD1 3.77Å; F400-L402 HydrophobicContact CE2-CD2 4.22Å; F400-L402 HydrophobicContact CE2-CG 3.75Å; F400-S435 PolarHBondContact N-OG 3.35Å; F400-S435 PolarHBondContact O-N 2.98Å; F400-S435 PolarHBondContact O-OG 3.33Å; F400-Y438 HydrophobicContact CE1-CD1 4.47Å; F400-Y438 AromaticContact CE1-CD2 3.58Å; F400-Y438 HydrophobicContact CE1-CD2 3.58Å; F400-Y438 HydrophobicContact CE1-CE2 4.17Å; F400-Y438 AromaticContact CE1-CG 3.75Å; F400-Y438 HydrophobicContact CE1-CG 3.75Å; F400-Y438 AromaticContact CZ-CD2 3.71Å; F400-Y438 HydrophobicContact CZ-CD2 3.71Å; F400-Y438 HydrophobicContact CZ-CE2 4.16Å; F400-Y438 HydrophobicContact CZ-CG 4.34Å
401E96.9Very high94.4Very high49 Ų4942.2 Ų42.223%0.22923%0.231CC..EExtended strand (participates in β ladder)trans-127.1130.9169.7179.5-177.8164.100110.6I326 P403 V432 H434I326-E401 HydrophobicContact CD1-CG 4.32Å; I326-E401 HydrophobicContact CG1-CB 3.92Å; I326-E401 HydrophobicContact CG1-CG 4.14Å; I326-E401 PolarHBondContact N-O 3.11Å; I326-E401 PolarHBondContact O-N 3.28Å; I326-E401 VanDerWaalsContact O-N 3.07Å; E401-P403 WeakPolarHBondContact O-CD 3.45Å; E401-V432 HydrophobicContact CG-CG2 3.92Å; E401-H434 IonicContact OE2-CE1 3.85Å
402L96.4Very high94.6Very high1 Ų135.9 Ų35.91%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-112.892.1179.2-51.9-175000109.8P294 F295 L319 A325 F400 W405 T433P294-L402 HydrophobicContact CB-CD1 3.96Å; P294-L402 HydrophobicContact CG-CD1 4.06Å; F295-L402 HydrophobicContact CE2-CD2 4.23Å; F295-L402 HydrophobicContact CZ-CD2 4.01Å; L319-L402 HydrophobicContact CD1-CD1 4.33Å; L319-L402 HydrophobicContact CD1-CD2 3.66Å; L319-L402 HydrophobicContact CD2-CD1 4.22Å; A325-L402 HydrophobicContact CB-CD2 3.44Å; A325-L402 VanDerWaalsContact CB-CD2 3.44Å; F400-L402 HydrophobicContact CD2-CD1 4.18Å; F400-L402 HydrophobicContact CD2-CD2 3.78Å; F400-L402 HydrophobicContact CD2-CG 3.65Å; F400-L402 HydrophobicContact CE2-CD1 3.77Å; F400-L402 HydrophobicContact CE2-CD2 4.22Å; F400-L402 HydrophobicContact CE2-CG 3.75Å; L402-W405 HydrophobicContact CB-CB 4.15Å; L402-W405 HydrophobicContact CB-CE3 4.23Å; L402-W405 HydrophobicContact CD1-CD2 4.08Å; L402-W405 HydrophobicContact CD1-CE3 3.49Å; L402-W405 VanDerWaalsContact CD1-CE3 3.49Å; L402-W405 HydrophobicContact CD1-CZ3 3.75Å; L402-T433 PolarHBondContact N-O 2.94Å; L402-T433 PolarHBondContact O-N 3.19Å
403P94.8Very high94.7Very high43 Ų4338 Ų3828%0.27920%0.203SC..EExtended strand (participates in β ladder)trans-70.5144.2176.129.1-35000111.2T324 I326 E401 W405T324-P403 WeakPolarHBondContact O-CD 3.4Å; I326-P403 HydrophobicContact CD1-CG 4.28Å; I326-P403 HydrophobicContact CG1-CG 4.48Å; E401-P403 WeakPolarHBondContact O-CD 3.45Å; P403-W405 PolarHBondContact O-N 2.9Å
404K91.9Very high94.6Very high187 Ų18739.8 Ų39.881%0.81321%0.209SC*.THydrogen-bonded Turntrans61.225.8177.2-52.6177.5-178.3176.90113.8Y431K404-Y431 PolarHBondContact N-O 3.26Å
405W93.3Very high94.6Very high31 Ų3139.8 Ų39.812%0.11721%0.206CC..  trans-134.9140.9-179.7-171.285.9000110.7M194 L319 L402 P403 G407 T433M194-W405 HydrophobicContact CE-CH2 3.81Å; M194-W405 HydrophobicContact CE-CZ3 3.96Å; L319-W405 HydrophobicContact CD2-CD2 4.15Å; L319-W405 HydrophobicContact CD2-CG 4.28Å; L319-W405 HydrophobicContact CD2-CZ2 4.28Å; L402-W405 HydrophobicContact CB-CB 4.15Å; L402-W405 HydrophobicContact CB-CE3 4.23Å; L402-W405 HydrophobicContact CD1-CD2 4.08Å; L402-W405 HydrophobicContact CD1-CE3 3.49Å; L402-W405 VanDerWaalsContact CD1-CE3 3.49Å; L402-W405 HydrophobicContact CD1-CZ3 3.75Å; P403-W405 PolarHBondContact O-N 2.9Å; W405-G407 VanDerWaalsContact CZ3-CA 3.41Å; W405-G407 VanDerWaalsContact CZ3-N 3.27Å; W405-T433 HydrophobicContact CE3-CG2 4.19Å; W405-T433 HydrophobicContact CZ3-CG2 3.95Å; W405-T433 PolarHBondContact O-OG1 2.9Å
406T93.8Very high94.3Very high18 Ų1844.3 Ų44.311%0.1122%0.215CC..  trans-127.6134.2171.349.30000108.2V190 L410 Y431V190-T406 HydrophobicContact CG1-CG2 3.91Å; T406-L410 PolarHBondContact OG1-O 3.11Å; T406-Y431 HydrophobicContact CG2-CD1 3.71Å; T406-Y431 HydrophobicContact CG2-CG 4.37Å
407G91.3Very high93.8Very high2 Ų244.9 Ų44.92%0.02122%0.218CC..SBendtrans-76.6-28.6176.300000113.3E192 I209 P290 W405 G409E192-G407 WeakPolarHBondContact OE2-CA 3.39Å; E192-G407 PolarHBondContact OE2-N 3.09Å; I209-G407 VanDerWaalsContact CD1-C 3.49Å; P290-G407 WeakPolarHBondContact CD-O 3.43Å; W405-G407 VanDerWaalsContact CZ3-CA 3.41Å; W405-G407 VanDerWaalsContact CZ3-N 3.27Å; G407-G409 VanDerWaalsContact C-N 3.31Å
408T92.5Very high93.1Very high1 Ų146.4 Ų46.41%0.00623%0.226CC..SBendtrans-77.6-17.6172.967.10000113.3E192 I209 Y283 L285 L410E192-T408 WeakPolarHBondContact OE1-CB 3.47Å; E192-T408 WeakPolarHBondContact OE1-CG2 3.2Å; E192-T408 PolarHBondContact OE1-N 3.18Å; E192-T408 PolarHBondContact OE1-OG1 2.87Å; E192-T408 PolarHBondContact OE2-N 3.44Å; I209-T408 HydrophobicContact CB-CG2 4.18Å; I209-T408 HydrophobicContact CD1-CG2 4Å; I209-T408 HydrophobicContact CG2-CG2 3.89Å; Y283-T408 HydrophobicContact CD2-CG2 4.33Å; Y283-T408 HydrophobicContact CE2-CG2 3.82Å; L285-T408 HydrophobicContact CB-CG2 4.21Å; L285-T408 HydrophobicContact CD2-CG2 4.01Å; T408-L410 VanDerWaalsContact C-N 3.28Å; T408-L410 WeakPolarHBondContact OG1-CB 3.32Å; T408-L410 PolarHBondContact OG1-N 2.81Å
409G91.6Very high91.8Very high26 Ų2648.9 Ų48.927%0.26824%0.243SC..  trans77.89.3-170.900000114.3N230 V247 G407 Q411N230-G409 PolarHBondContact ND2-O 2.96Å; V247-G409 VanDerWaalsContact CG2-C 3.47Å; V247-G409 VanDerWaalsContact CG2-O 3.26Å; V247-G409 WeakPolarHBondContact CG2-O 3.38Å; G407-G409 VanDerWaalsContact C-N 3.31Å; G409-Q411 PolarHBondContact O-N 3.17Å
410L93.3Very high90.3Very high0 Ų051.7 Ų51.70%026%0.257CS..  trans-57.2131.6174.3-172.970.6000110.8V190 V213 L229 F233 V247 Y283 T406 T408V190-L410 HydrophobicContact CG1-CD2 3.98Å; V213-L410 HydrophobicContact CG2-CD2 3.98Å; L229-L410 HydrophobicContact CB-CD1 4.43Å; L229-L410 HydrophobicContact CD2-CD1 4.4Å; F233-L410 HydrophobicContact CD2-CD1 3.8Å; F233-L410 HydrophobicContact CE2-CD1 3.9Å; V247-L410 HydrophobicContact CG1-CB 4.23Å; V247-L410 HydrophobicContact CG1-CD1 4.21Å; Y283-L410 HydrophobicContact CD1-CD2 4.31Å; Y283-L410 HydrophobicContact CE1-CD2 3.47Å; Y283-L410 VanDerWaalsContact CE1-CD2 3.47Å; Y283-L410 HydrophobicContact CE2-CD2 4.36Å; Y283-L410 VanDerWaalsContact CZ-CD2 3.49Å; Y283-L410 WeakPolarHBondContact OH-CD2 3.49Å; T406-L410 PolarHBondContact OG1-O 3.11Å; T408-L410 VanDerWaalsContact C-N 3.28Å; T408-L410 WeakPolarHBondContact OG1-CB 3.32Å; T408-L410 PolarHBondContact OG1-N 2.81Å
411Q93.6Very high88.6Confident116 Ų11653.4 Ų53.454%0.54227%0.265SS..  trans-136.6138.3-179.8-69.8178.6200110.6N230 G409N230-Q411 PolarHBondContact N-O 2.86Å; N230-Q411 PolarHBondContact OD1-N 2.85Å; N230-Q411 PolarHBondContact OD1-O 3.33Å; N230-Q411 VanDerWaalsContact OD1-O 3.1Å; G409-Q411 PolarHBondContact O-N 3.17Å
412I94.4Very high86.6Confident19 Ų1957.9 Ų57.910%0.09730%0.298CS..  trans-87.1109.7170-57.2-173.3000108V188 V190 I227 G228 V429 Y431V188-I412 HydrophobicContact CB-CD1 3.97Å; V188-I412 HydrophobicContact CG1-CD1 3.3Å; V190-I412 HydrophobicContact CG2-CD1 3.74Å; V190-I412 HydrophobicContact CG2-CG1 3.94Å; I227-I412 HydrophobicContact CG2-CD1 4.18Å; I227-I412 HydrophobicContact CG2-CG1 4.37Å; I227-I412 HydrophobicContact CG2-CG2 3.91Å; G228-I412 CarbonylContact O-C 3.49Å; I412-V429 HydrophobicContact CB-CG1 4.2Å; I412-V429 HydrophobicContact CD1-CG1 3.89Å; I412-V429 HydrophobicContact CG1-CG1 4.32Å; I412-V429 HydrophobicContact CG2-CG2 4.45Å; I412-Y431 PolarHBondContact N-OH 3.28Å
413R93.8Very high84.9Confident122 Ų12259.8 Ų59.846%0.4632%0.318SS..  trans-71.9-40.9179.1-66175.164.1-157.36.4112.1G228 L229 E231G228-R413 PolarHBondContact O-N 3.46Å; L229-R413 WeakPolarHBondContact O-CD 3.27Å; E231-R413 VanDerWaalsContact CD-CZ 3.47Å; E231-R413 VanDerWaalsContact CD-NH1 3.3Å; E231-R413 VanDerWaalsContact CD-NH2 3.34Å; E231-R413 IonicContact OE1-CZ 3.17Å; E231-R413 IonicContact OE1-NH1 3.37Å; E231-R413 PolarHBondContact OE1-NH1 3.39Å; E231-R413 IonicContact OE1-NH2 2.75Å; E231-R413 PolarHBondContact OE1-NH2 3.48Å
414F93.3Very high83.1Confident51 Ų5163.7 Ų63.722%0.22434%0.343CS..EExtended strand (participates in β ladder)trans-156156.1178.664.4-98.6000112.2R226 G228 I268 R416R226-F414 HydrophobicContact CB-CE2 4.35Å; G228-F414 PolarHBondContact N-O 2.85Å; I268-F414 HydrophobicContact CD1-CZ 3.84Å; I268-F414 HydrophobicContact CG1-CZ 3.9Å; F414-R416 HydrophobicContact CD2-CG 3.85Å; F414-R416 HydrophobicContact CE2-CG 4.27Å
415L91.8Very high81.9Confident16 Ų1656.1 Ų56.18%0.08431%0.314CS..EExtended strand (participates in β ladder)trans-126.8115.8169.9178.765.3000108.9I186 V188 M225 I227 L417 R427I186-L415 HydrophobicContact CG2-CD2 4.21Å; V188-L415 HydrophobicContact CG2-CD1 4.13Å; V188-L415 HydrophobicContact CG2-CD2 3.82Å; M225-L415 HydrophobicContact CG-CD1 3.65Å; M225-L415 HydrophobicContact SD-CD1 3.69Å; I227-L415 HydrophobicContact CG1-CD1 3.85Å; L415-L417 HydrophobicContact CD1-CD2 4.47Å; L415-L417 HydrophobicContact CG-CD2 4.49Å; L415-R427 HydrophobicContact CD2-CB 4.09Å; L415-R427 HydrophobicContact CD2-CG 4.15Å; L415-R427 PolarHBondContact O-NH1 2.87Å
416R90Very high81.2Confident155 Ų15557.2 Ų57.259%0.58532%0.321SS*.EExtended strand (participates in β ladder)trans-114.8139.6177.6-68.8177.1-177.2178.91.6110.3M225 R226 F414M225-R416 CarbonylContact C-O 3.52Å; M225-R416 WeakPolarHBondContact CA-O 3.44Å; R226-R416 HydrophobicContact CB-CB 4.29Å; R226-R416 PolarHBondContact N-O 2.83Å; R226-R416 PolarHBondContact O-N 2.84Å; F414-R416 HydrophobicContact CD2-CG 3.85Å; F414-R416 HydrophobicContact CE2-CG 4.27Å
417L87.6Confident80.8Confident14 Ų1461.6 Ų61.67%0.07334%0.335CS..EExtended strand (participates in β ladder)trans-123.9141.3-178.4-54.6172.9000109.1I186 M219 E224 M225 L415 R427I186-L417 HydrophobicContact CD1-CD1 3.52Å; I186-L417 HydrophobicContact CD1-CD2 3.33Å; I186-L417 HydrophobicContact CD1-CG 4.04Å; M219-L417 HydrophobicContact CE-CD1 4.06Å; M219-L417 HydrophobicContact CE-CD2 4.47Å; M219-L417 HydrophobicContact SD-CD1 4.12Å; E224-L417 CarbonylContact O-C 3.52Å; M225-L417 HydrophobicContact CB-CD2 4.02Å; M225-L417 HydrophobicContact CG-CD2 3.71Å; M225-L417 HydrophobicContact SD-CD2 4.03Å; L415-L417 HydrophobicContact CD1-CD2 4.47Å; L415-L417 HydrophobicContact CG-CD2 4.49Å; L417-R427 HydrophobicContact CD1-CG 4.14Å
418S82.1Confident80.7Confident47 Ų4763.7 Ų63.733%0.32934%0.343SS..EExtended strand (participates in β ladder)trans-131.6139.4174.4-164.40000109.7S223 E224S223-S418 PolarHBondContact N-O 2.89Å; S223-S418 VanDerWaalsContact OG-C 3.3Å; S223-S418 PolarHBondContact OG-O 2.85Å; E224-S418 PolarHBondContact N-O 3.01Å; E224-S418 PolarHBondContact O-N 2.86Å
419P70.7Confident80.7Confident63 Ų6366.6 Ų66.641%0.40936%0.36SS..SBendcis-63.8157.3-9.530.5-35.3000111.2S223 H421S223-P419 VanDerWaalsContact OG-CD 3.32Å; S223-P419 WeakPolarHBondContact OG-CD 3.29Å; P419-H421 PolarHBondContact O-N 3.04Å
420V65.6Low80.7Confident120 Ų12070.6 Ų70.673%0.72737%0.367SS*.  trans-67.9101.9172.1-178.80000107.2
421H62.4Low80.9Confident41 Ų4173.1 Ų73.119%0.1938%0.377CS..  trans-59.3131.8178-77.3-61.2000110.3S221 P419 G423S221-H421 PolarHBondContact O-CE1 2.83Å; S221-H421 PolarHBondContact O-NE2 3.05Å; P419-H421 PolarHBondContact O-N 3.04Å; H421-G423 PolarHBondContact O-N 3.36Å
422P54.8Low81Confident142 Ų14267.8 Ų67.892%0.92235%0.352SS*.SBendtrans-70.6-9.4179.325.8-31.7000113.3
423G61.5Low81.1Confident41 Ų4166.9 Ų66.942%0.42335%0.347SS..SBendtrans-94.9166.3173.200000113.6H421 S425H421-G423 PolarHBondContact O-N 3.36Å; G423-S425 PolarHBondContact O-N 2.84Å
424P55.9Low81.2Confident125 Ų12564.3 Ų64.381%0.81234%0.341SS*.  trans-68.890.3177.329.3-33.9000110.5Q426P424-Q426 PolarHBondContact O-N 3.37Å
425S65.9Low81.3Confident28 Ų2862.9 Ų62.920%0.19634%0.337CS..  trans-72.1114.8166.4520000108.9S184 G423S184-S425 WeakPolarHBondContact O-CA 3.42Å; G423-S425 PolarHBondContact O-N 2.84Å
426Q78.9Confident81.4Confident55 Ų5566.7 Ų66.726%0.25736%0.358SS..EExtended strand (participates in β ladder)trans-82.9128175.9-62.7-167.9-1700109.6S184 E185 I186 P424S184-Q426 PolarHBondContact O-N 3.35Å; S184-Q426 VanDerWaalsContact O-N 3.13Å; E185-Q426 WeakPolarHBondContact CA-O 3.38Å; E185-Q426 HydrophobicContact CG-CB 4.26Å; I186-Q426 PolarHBondContact N-O 3.02Å; P424-Q426 PolarHBondContact O-N 3.37Å
427R85.6Confident81.6Confident110 Ų11061.9 Ų61.942%0.41535%0.348SS..EExtended strand (participates in β ladder)trans-115.7123.5-178.9-63.5178.2-158.3172.48.2108.6L415 L417L415-R427 HydrophobicContact CD2-CB 4.09Å; L415-R427 HydrophobicContact CD2-CG 4.15Å; L415-R427 PolarHBondContact O-NH1 2.87Å; L417-R427 HydrophobicContact CD1-CG 4.14Å
428W89.1Confident82.1Confident46 Ų4661.3 Ų61.317%0.17435%0.345CS..EExtended strand (participates in β ladder)trans-120.6133.3-178.1-59.197.2000109.3A165 I186 F187 V188A165-W428 HydrophobicContact CB-CD2 3.87Å; A165-W428 HydrophobicContact CB-CE3 3.96Å; A165-W428 HydrophobicContact CB-CG 4.2Å; A165-W428 HydrophobicContact CB-CZ3 4.42Å; I186-W428 PolarHBondContact O-N 2.92Å; F187-W428 CarbonylContact C-O 3.52Å; F187-W428 WeakPolarHBondContact CA-O 3.24Å; F187-W428 HydrophobicContact CB-CB 4.45Å; F187-W428 HydrophobicContact CD1-CB 3.42Å; F187-W428 VanDerWaalsContact CD1-CB 3.42Å; F187-W428 AromaticContact CD1-CD1 3.56Å; F187-W428 AromaticContact CD1-CG 3.61Å; F187-W428 HydrophobicContact CD1-CG 3.61Å; F187-W428 HydrophobicContact CE1-CB 3.88Å; F187-W428 AromaticContact CE1-CD1 3.14Å; F187-W428 HydrophobicContact CE1-CD2 4.29Å; F187-W428 AromaticContact CE1-CG 3.5Å; F187-W428 HydrophobicContact CE1-CG 3.5Å; F187-W428 AromaticContact CE1-NE1 3.72Å; F187-W428 HydrophobicContact CG-CB 4.21Å; F187-W428 AromaticContact CZ-CD1 3.68Å; F187-W428 HydrophobicContact CZ-CG 4.44Å; V188-W428 PolarHBondContact N-O 2.98Å
429V91.9Very high82.8Confident61 Ų6161.3 Ų61.337%0.3734%0.34SS..EExtended strand (participates in β ladder)trans-121.6128.2169.1-179.90000108V188 I412 Y431V188-V429 HydrophobicContact CB-CG2 4.45Å; V188-V429 VanDerWaalsContact O-CA 3.29Å; V188-V429 WeakPolarHBondContact O-CA 3.43Å; I412-V429 HydrophobicContact CB-CG1 4.2Å; I412-V429 HydrophobicContact CD1-CG1 3.89Å; I412-V429 HydrophobicContact CG1-CG1 4.32Å; I412-V429 HydrophobicContact CG2-CG2 4.45Å; V429-Y431 HydrophobicContact CG1-CD2 4.35Å; V429-Y431 HydrophobicContact CG1-CE1 4.4Å; V429-Y431 HydrophobicContact CG1-CE2 3.6Å
430R93.4Very high84.1Confident111 Ų11158.5 Ų58.542%0.41932%0.322SS..EExtended strand (participates in β ladder)trans-125.9139.7178.3179.317667.6143.25.7109.2V188 D189 V190V188-R430 PolarHBondContact O-N 2.81Å; D189-R430 CarbonylContact C-O 3.58Å; D189-R430 WeakPolarHBondContact CA-O 3.45Å; D189-R430 VanDerWaalsContact CG-NH2 3.27Å; D189-R430 WeakPolarHBondContact OD1-CB 3.2Å; D189-R430 IonicContact OD1-CZ 2.8Å; D189-R430 IonicContact OD1-NE 3.32Å; D189-R430 PolarHBondContact OD1-NE 3.12Å; D189-R430 IonicContact OD1-NH2 3.48Å; D189-R430 PolarHBondContact OD1-NH2 2.8Å; D189-R430 IonicContact OD2-CZ 3.99Å; D189-R430 IonicContact OD2-NE 3.91Å; D189-R430 IonicContact OD2-NH2 3.8Å; D189-R430 PolarHBondContact OD2-NH2 2.94Å; V190-R430 PolarHBondContact N-O 2.95Å
431Y95.6Very high85.5Confident52 Ų5258.8 Ų58.820%0.20431%0.31CS..EExtended strand (participates in β ladder)trans-117132.2172.2-55.2-91.6000107.8V190 K404 T406 I412 V429V190-Y431 HydrophobicContact CB-CD1 3.65Å; V190-Y431 HydrophobicContact CB-CE1 4.08Å; V190-Y431 HydrophobicContact CG1-CD1 4.17Å; V190-Y431 HydrophobicContact CG2-CD1 3.86Å; V190-Y431 HydrophobicContact CG2-CE1 3.75Å; V190-Y431 WeakPolarHBondContact O-CA 3.48Å; K404-Y431 PolarHBondContact N-O 3.26Å; T406-Y431 HydrophobicContact CG2-CD1 3.71Å; T406-Y431 HydrophobicContact CG2-CG 4.37Å; I412-Y431 PolarHBondContact N-OH 3.28Å; V429-Y431 HydrophobicContact CG1-CD2 4.35Å; V429-Y431 HydrophobicContact CG1-CE1 4.4Å; V429-Y431 HydrophobicContact CG1-CE2 3.6Å
432V95.8Very high86.8Confident4 Ų459.9 Ų59.92%0.02432%0.317CS..EExtended strand (participates in β ladder)trans-145.8135175.8105.60000109.1V190 I191 E192 E401 H434V190-V432 PolarHBondContact O-N 3.01Å; I191-V432 WeakPolarHBondContact CA-O 3.4Å; I191-V432 HydrophobicContact CG1-CG1 4.37Å; I191-V432 HydrophobicContact CG2-CG1 4.15Å; E192-V432 PolarHBondContact N-O 2.83Å; E401-V432 HydrophobicContact CG-CG2 3.92Å; V432-H434 WeakPolarHBondContact CG1-NE2 3.49Å
433T96.6Very high88.4Confident0 Ų055.8 Ų55.80%029%0.286CS..EExtended strand (participates in β ladder)trans-116.8129.2168.7-550000109.7E192 M194 L402 W405E192-T433 HydrophobicContact CB-CG2 3.94Å; E192-T433 CarbonylContact O-C 3.54Å; E192-T433 VanDerWaalsContact O-CA 3.31Å; E192-T433 WeakPolarHBondContact O-CA 3.47Å; M194-T433 HydrophobicContact CB-CG2 4.2Å; L402-T433 PolarHBondContact N-O 2.94Å; L402-T433 PolarHBondContact O-N 3.19Å; W405-T433 HydrophobicContact CE3-CG2 4.19Å; W405-T433 HydrophobicContact CZ3-CG2 3.95Å; W405-T433 PolarHBondContact O-OG1 2.9Å
434H96Very high89.9Confident68 Ų6856.6 Ų56.632%0.31528%0.279SS..EExtended strand (participates in β ladder)trans-106.6150173.6-64.2-73.5000110.4E192 K193 M194 E401 V432E192-H434 PolarHBondContact O-N 2.95Å; K193-H434 WeakPolarHBondContact CA-O 3.41Å; M194-H434 PolarHBondContact N-O 2.82Å; E401-H434 IonicContact OE2-CE1 3.85Å; V432-H434 WeakPolarHBondContact CG1-NE2 3.49Å
435S95.8Very high91.8Very high22 Ų2252.8 Ų52.815%0.15425%0.25CC..EExtended strand (participates in β ladder)trans-68.8133.4160.154.90000110S399 F400S399-S435 VanDerWaalsContact CA-OG 3.23Å; S399-S435 WeakPolarHBondContact CA-OG 3.42Å; F400-S435 PolarHBondContact N-OG 3.35Å; F400-S435 PolarHBondContact O-N 2.98Å; F400-S435 PolarHBondContact O-OG 3.33Å
436D93.9Very high93.3Very high96 Ų9654.2 Ų54.251%0.51325%0.253SS..EExtended strand (participates in β ladder)trans-103.6-58.3166.1-173.853.1000109.7K193 M194 S195K193-D436 HydrophobicContact CB-CB 4.09Å; M194-D436 PolarHBondContact O-N 3.29Å; S195-D436 PolarHBondContact OG-OD2 2.76Å
437S94.8Very high94.2Very high54 Ų5454.2 Ų54.238%0.37825%0.252SS..EExtended strand (participates in β ladder)trans-137.698.1169.9-170.80000110.9M194 S195 V196M194-S437 PolarHBondContact O-N 3.38Å; S195-S437 CarbonylContact C-O 3.46Å; S195-S437 WeakPolarHBondContact CA-O 3.31Å; S195-S437 PolarHBondContact OG-N 2.84Å; V196-S437 PolarHBondContact N-O 2.86Å
438Y97.3Very high94.7Very high2 Ų250.5 Ų50.51%0.00824%0.242CC..EExtended strand (participates in β ladder)trans-111.498.3179.3-160-73.4000110.6M194 V196 I198 P293 P294 F295 G397 L398 F400 I440M194-Y438 HydrophobicContact CG-CD2 4.48Å; M194-Y438 HydrophobicContact SD-CD2 4.32Å; M194-Y438 HydrophobicContact SD-CE2 4.06Å; V196-Y438 HydrophobicContact CB-CD2 3.64Å; V196-Y438 HydrophobicContact CB-CE2 3.63Å; V196-Y438 HydrophobicContact CB-CG 4.25Å; V196-Y438 HydrophobicContact CG1-CD2 4.18Å; V196-Y438 HydrophobicContact CG1-CE1 4.35Å; V196-Y438 HydrophobicContact CG1-CE2 3.75Å; V196-Y438 HydrophobicContact CG2-CD2 4.08Å; V196-Y438 HydrophobicContact CG2-CE2 3.87Å; I198-Y438 HydrophobicContact CD1-CE1 4.23Å; P293-Y438 HydrophobicContact CB-CE2 4.41Å; P293-Y438 WeakPolarHBondContact CB-OH 3.45Å; P294-Y438 HydrophobicContact CG-CE2 4.16Å; F295-Y438 HydrophobicContact CB-CE1 4.36Å; F295-Y438 PolarHBondContact N-OH 2.61Å; F295-Y438 PolarHBondContact O-OH 3.33Å; G397-Y438 CarbonylContact C-O 3.56Å; G397-Y438 WeakPolarHBondContact CA-O 3.03Å; L398-Y438 HydrophobicContact CB-CD1 3.89Å; L398-Y438 HydrophobicContact CB-CG 4.25Å; L398-Y438 HydrophobicContact CD1-CD1 3.68Å; L398-Y438 HydrophobicContact CD1-CE1 3.77Å; L398-Y438 HydrophobicContact CG-CD1 3.95Å; L398-Y438 PolarHBondContact N-O 3.47Å; L398-Y438 WeakPolarHBondContact O-CB 3.2Å; F400-Y438 HydrophobicContact CE1-CD1 4.47Å; F400-Y438 AromaticContact CE1-CD2 3.58Å; F400-Y438 HydrophobicContact CE1-CD2 3.58Å; F400-Y438 HydrophobicContact CE1-CE2 4.17Å; F400-Y438 AromaticContact CE1-CG 3.75Å; F400-Y438 HydrophobicContact CE1-CG 3.75Å; F400-Y438 AromaticContact CZ-CD2 3.71Å; F400-Y438 HydrophobicContact CZ-CD2 3.71Å; F400-Y438 HydrophobicContact CZ-CE2 4.16Å; F400-Y438 HydrophobicContact CZ-CG 4.34Å; Y438-I440 HydrophobicContact CD1-CG1 4.28Å; Y438-I440 HydrophobicContact CE1-CD1 4Å; Y438-I440 HydrophobicContact CE1-CG1 4Å
439I97.8Very high95.1Very high47 Ų4750.8 Ų50.824%0.24125%0.246CC..EExtended strand (participates in β ladder)trans-114.8128.9-170.6-55.6-59.3000110.8V196 V197 I198 P395 V396V196-I439 PolarHBondContact O-N 2.84Å; V197-I439 CarbonylContact C-O 3.51Å; V197-I439 WeakPolarHBondContact CA-O 3.28Å; I198-I439 PolarHBondContact N-O 2.78Å; P395-I439 HydrophobicContact CB-CG2 3.59Å; P395-I439 HydrophobicContact CG-CG2 3.74Å; V396-I439 WeakPolarHBondContact O-CA 3.26Å
440I97.5Very high95.4Very high4 Ų450 Ų502%0.02124%0.237CC..EExtended strand (participates in β ladder)trans-118.3115173-50.2175.4000108.3I198 L297 P395 V396 L398 Y438I198-I440 HydrophobicContact CB-CB 4.5Å; I198-I440 HydrophobicContact CB-CG1 4.28Å; I198-I440 HydrophobicContact CB-CG2 4.17Å; I198-I440 HydrophobicContact CD1-CD1 4.49Å; I198-I440 HydrophobicContact CD1-CG1 4.21Å; I198-I440 HydrophobicContact CG1-CG1 4.48Å; I198-I440 HydrophobicContact CG2-CG2 4.33Å; L297-I440 HydrophobicContact CB-CD1 3.46Å; L297-I440 VanDerWaalsContact CB-CD1 3.46Å; L297-I440 HydrophobicContact CB-CG2 4.12Å; L297-I440 HydrophobicContact CD2-CB 4.48Å; L297-I440 HydrophobicContact CD2-CD1 4.45Å; L297-I440 HydrophobicContact CD2-CG2 4.41Å; P395-I440 WeakPolarHBondContact CB-O 3.47Å; V396-I440 PolarHBondContact N-O 3.38Å; V396-I440 PolarHBondContact O-N 2.81Å; L398-I440 HydrophobicContact CD1-CD1 4Å; Y438-I440 HydrophobicContact CD1-CG1 4.28Å; Y438-I440 HydrophobicContact CE1-CD1 4Å; Y438-I440 HydrophobicContact CE1-CG1 4Å
441R95Very high95.6Very high126 Ų12644.9 Ų44.948%0.47522%0.222SC..  trans-70.6138174-62.2179.7-179174.5-0.3108.7I198 S200 P395I198-R441 PolarHBondContact O-N 2.65Å; S200-R441 VanDerWaalsContact CA-O 3.28Å; S200-R441 WeakPolarHBondContact CA-O 3.4Å; P395-R441 HydrophobicContact CB-CG 4.31Å
442I90.8Very high95.6Very high64 Ų6444.3 Ų44.333%0.32822%0.223SC..  trans-1250-177.963169.6000111.1L297 P299 V301 I332 V393 V396L297-I442 HydrophobicContact CD2-CG2 3.87Å; P299-I442 HydrophobicContact CB-CB 3.92Å; P299-I442 HydrophobicContact CB-CG2 3.76Å; P299-I442 HydrophobicContact CG-CB 3.78Å; P299-I442 HydrophobicContact CG-CG2 3.61Å; V301-I442 HydrophobicContact CG2-CD1 4.28Å; I332-I442 HydrophobicContact CG2-CD1 4.42Å; V393-I442 HydrophobicContact CG1-CD1 3.69Å; V396-I442 HydrophobicContact CG2-CD1 3.77Å; V396-I442 HydrophobicContact CG2-CG1 4.35Å; V396-I442 HydrophobicContact CG2-CG2 3.78Å

Retrieved 442 of 442 residues in 833.9 ms (Link to these results)